G4VN39_SCHMA Loading...

Putative signal transducing adapter molecule (Stam)

AlphaFold DB , UniProt , Accession G4VN39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 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
1M88.9Confident93.6Very high30 Ų3065 Ų6515%0.14832%0.32CS..  0-94.10-160.4-166.4-65.500112.6A3 L4 I5 Y28 E32 V35 C36M1-A3 PolarHBondContact O-N 3.27Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-I5 HydrophobicContact CG-CD1 3.74Å; M1-I5 PolarHBondContact O-N 3.3Å; M1-I5 VanDerWaalsContact O-N 3.15Å; M1-I5 HydrophobicContact SD-CD1 4.42Å; M1-Y28 HydrophobicContact CB-CD1 3.64Å; M1-Y28 HydrophobicContact CB-CD2 4.3Å; M1-Y28 HydrophobicContact CB-CE1 4.03Å; M1-Y28 HydrophobicContact CB-CG 3.79Å; M1-Y28 HydrophobicContact CE-CD1 4.3Å; M1-Y28 HydrophobicContact CG-CD1 4.22Å; M1-Y28 HydrophobicContact CG-CG 3.97Å; M1-Y28 VanDerWaalsContact N-CE1 3.28Å; M1-Y28 PolarHBondContact N-OH 3.2Å; M1-E32 HydrophobicContact CE-CB 3.8Å; M1-E32 VanDerWaalsContact CE-OE2 3.23Å; M1-E32 WeakPolarHBondContact CE-OE2 3.27Å; M1-V35 HydrophobicContact CE-CB 4.07Å; M1-V35 HydrophobicContact CE-CG1 4.02Å; M1-V35 HydrophobicContact SD-CB 4.26Å; M1-V35 HydrophobicContact SD-CG1 3.83Å; M1-C36 HydrophobicContact CE-CB 4.37Å; M1-C36 HydrophobicContact SD-CB 4.14Å
2K91.6Very high93.4Very high151 Ų15174.3 Ų74.366%0.65736%0.358SS*.Hα-helixtrans-46.2-51.8-165.7-68.9177.5-177.3168.70115.8L4 I5 E6 A39K2-L4 VanDerWaalsContact C-N 3.28Å; K2-L4 PolarHBondContact O-N 2.92Å; K2-I5 WeakPolarHBondContact O-CB 3.22Å; K2-I5 PolarHBondContact O-N 3.17Å; K2-I5 VanDerWaalsContact O-N 3.14Å; K2-E6 PolarHBondContact O-N 3.32Å; K2-A39 HydrophobicContact CG-CB 4.43Å
3A92.7Very high93.2Very high76 Ų7671.5 Ų71.563%0.62835%0.346SS*.Hα-helixtrans-63.8-28179.800000114.2M1 R7M1-A3 PolarHBondContact O-N 3.27Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-R7 WeakPolarHBondContact O-CB 3.24Å; A3-R7 PolarHBondContact O-N 3.08Å
4L93.2Very high92.9Very high36 Ų3675.8 Ų75.819%0.18838%0.379CS..Hα-helixtrans-76-38.7173.4-71.6163.6000111.2M1 K2 E6 R7 C8 L20 I24 Y28M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.45Å; K2-L4 VanDerWaalsContact C-N 3.28Å; K2-L4 PolarHBondContact O-N 2.92Å; L4-E6 VanDerWaalsContact C-N 3.29Å; L4-E6 PolarHBondContact O-N 3.06Å; L4-R7 PolarHBondContact O-N 3.32Å; L4-C8 WeakPolarHBondContact O-CB 3.34Å; L4-C8 PolarHBondContact O-N 3.18Å; L4-L20 HydrophobicContact CD2-CD2 3.8Å; L4-I24 HydrophobicContact CB-CD1 4.33Å; L4-I24 HydrophobicContact CB-CG1 4.22Å; L4-Y28 HydrophobicContact CD1-CE2 3.58Å
5I95.4Very high92.8Very high3 Ų381.1 Ų81.12%0.01540%0.402CS..Hα-helixtrans-60.6-42171.4-63.7171.9000109.9M1 K2 C8 T9 I24 A39 I40 R43 L58M1-I5 HydrophobicContact CG-CD1 3.74Å; M1-I5 PolarHBondContact O-N 3.3Å; M1-I5 VanDerWaalsContact O-N 3.15Å; M1-I5 HydrophobicContact SD-CD1 4.42Å; K2-I5 WeakPolarHBondContact O-CB 3.22Å; K2-I5 PolarHBondContact O-N 3.17Å; K2-I5 VanDerWaalsContact O-N 3.14Å; I5-C8 PolarHBondContact O-N 2.83Å; I5-T9 WeakPolarHBondContact O-CB 3.14Å; I5-T9 WeakPolarHBondContact O-CG2 3.23Å; I5-T9 PolarHBondContact O-N 3.37Å; I5-T9 PolarHBondContact O-OG1 3.03Å; I5-I24 HydrophobicContact CG1-CD1 4.02Å; I5-I24 HydrophobicContact CG1-CG1 4.48Å; I5-I24 HydrophobicContact CG1-CG2 4.25Å; I5-A39 HydrophobicContact CD1-CB 3.6Å; I5-I40 HydrophobicContact CD1-CG1 4.28Å; I5-I40 HydrophobicContact CG2-CG1 4.37Å; I5-R43 HydrophobicContact CG2-CG 4.19Å; I5-L58 HydrophobicContact CG1-CD2 4.31Å; I5-L58 HydrophobicContact CG2-CD2 4.02Å
6E95Very high92.9Very high116 Ų11678.4 Ų78.454%0.54239%0.389SS..Hα-helixtrans-65.8-41.7176.2-172.5174.1179.300112.8K2 L4 T9 S10K2-E6 PolarHBondContact O-N 3.32Å; L4-E6 VanDerWaalsContact C-N 3.29Å; L4-E6 PolarHBondContact O-N 3.06Å; E6-T9 CarbonylContact O-C 3.58Å; E6-T9 VanDerWaalsContact O-C 3.27Å; E6-T9 PolarHBondContact O-N 3.31Å; E6-S10 WeakPolarHBondContact O-CA 3.41Å; E6-S10 PolarHBondContact O-N 3.37Å
7R94.7Very high92.9Very high164 Ų16477.1 Ų77.162%0.61938%0.384SS*.Hα-helixtrans-65.2-41.9173.8-172.2-178.7178.7-178.7-1.2112.4A3 L4 S10 N13 L20A3-R7 WeakPolarHBondContact O-CB 3.24Å; A3-R7 PolarHBondContact O-N 3.08Å; L4-R7 PolarHBondContact O-N 3.32Å; R7-S10 WeakPolarHBondContact O-CB 3.42Å; R7-S10 PolarHBondContact O-N 2.68Å; R7-N13 PolarHBondContact O-ND2 3.3Å; R7-L20 HydrophobicContact CB-CD1 4.36Å; R7-L20 HydrophobicContact CG-CD1 3.82Å
8C94.9Very high93Very high2 Ų280.6 Ų80.61%0.01439%0.392CS..Hα-helixtrans-64.7-41175.8-177.10000111.7L4 I5 N13 L20 I21 I24L4-C8 WeakPolarHBondContact O-CB 3.34Å; L4-C8 PolarHBondContact O-N 3.18Å; I5-C8 PolarHBondContact O-N 2.83Å; C8-N13 PolarHBondContact O-ND2 3.46Å; C8-L20 HydrophobicContact CB-CB 4.17Å; C8-I21 WeakPolarHBondContact SG-CG1 3.44Å; C8-I24 HydrophobicContact CB-CD1 3.84Å
9T95.7Very high93.1Very high0 Ų083.2 Ų83.20%041%0.408CS..THydrogen-bonded Turntrans-99.532.5179.265.30000112I5 E6 R43 V51 R54 A55 L58I5-T9 WeakPolarHBondContact O-CB 3.14Å; I5-T9 WeakPolarHBondContact O-CG2 3.23Å; I5-T9 PolarHBondContact O-N 3.37Å; I5-T9 PolarHBondContact O-OG1 3.03Å; E6-T9 CarbonylContact O-C 3.58Å; E6-T9 VanDerWaalsContact O-C 3.27Å; E6-T9 PolarHBondContact O-N 3.31Å; T9-R43 HydrophobicContact CG2-CB 4.4Å; T9-R43 PolarHBondContact O-NH2 3.27Å; T9-R43 WeakPolarHBondContact OG1-CG 3.4Å; T9-R43 PolarHBondContact OG1-NE 3.41Å; T9-V51 WeakPolarHBondContact O-CG1 3.27Å; T9-R54 HydrophobicContact CG2-CB 4.12Å; T9-A55 HydrophobicContact CG2-CB 3.93Å; T9-L58 HydrophobicContact CG2-CD2 4.23Å
10S94.6Very high93.2Very high32 Ų3279.7 Ų79.722%0.22439%0.391CS..  trans-73.3139.9179.3-168.60000110.4E6 R7 K12 N13E6-S10 WeakPolarHBondContact O-CA 3.41Å; E6-S10 PolarHBondContact O-N 3.37Å; R7-S10 WeakPolarHBondContact O-CB 3.42Å; R7-S10 PolarHBondContact O-N 2.68Å; S10-K12 PolarHBondContact O-N 2.98Å; S10-N13 WeakPolarHBondContact O-CB 3.42Å; S10-N13 PolarHBondContact O-N 3.27Å; S10-N13 VanDerWaalsContact O-N 3.12Å
11E93.3Very high93.3Very high105 Ų10576 Ų7649%0.49137%0.373SS..THydrogen-bonded Turntrans-65.2-18.4174.460-173.9-176.200113.7N13 N48 N50 V51E11-N13 VanDerWaalsContact C-N 3.32Å; E11-N48 VanDerWaalsContact CB-ND2 3.27Å; E11-N48 WeakPolarHBondContact CB-ND2 3.34Å; E11-N48 PolarHBondContact OE2-ND2 3.2Å; E11-N50 PolarHBondContact O-ND2 3.39Å; E11-V51 HydrophobicContact CB-CG2 3.82Å
12K91.5Very high93.6Very high177 Ų17778.6 Ų78.677%0.7739%0.387SS*.THydrogen-bonded Turntrans-81.4-9.8175.7-59-174-179.4-175.80113.2S10S10-K12 PolarHBondContact O-N 2.98Å
13N90.5Very high93.7Very high38 Ų3873.9 Ų73.920%0.20337%0.368CS..  trans-76.2134176.2-62.1-10.7000109R7 C8 S10 E11 N50 R54R7-N13 PolarHBondContact O-ND2 3.3Å; C8-N13 PolarHBondContact O-ND2 3.46Å; S10-N13 WeakPolarHBondContact O-CB 3.42Å; S10-N13 PolarHBondContact O-N 3.27Å; S10-N13 VanDerWaalsContact O-N 3.12Å; E11-N13 VanDerWaalsContact C-N 3.32Å; N13-N50 PolarHBondContact O-ND2 3.13Å; N13-R54 VanDerWaalsContact O-CZ 3.23Å; N13-R54 PolarHBondContact O-NE 3.3Å; N13-R54 PolarHBondContact O-NH2 3.2Å
14T88.9Confident93.8Very high131 Ų13170.3 Ų70.380%0.80434%0.338SS*.SBendtrans-93.2-44.3174.550.40000111.3R54T14-R54 PolarHBondContact O-NH2 3.15Å
15Q91.5Very high93.9Very high155 Ų15568.7 Ų68.772%0.72433%0.33SS*.SBendtrans-115.9159177.269.4-172.817.200111.9N17 R54Q15-N17 PolarHBondContact O-N 2.72Å; Q15-R54 PolarHBondContact O-NH1 3.33Å
16D93.5Very high93.7Very high38 Ų3874.4 Ų74.420%0.20336%0.356CS..  trans-70.5127.7178.9-78.1-16.6000111.1W18 I21 R54 T57D16-W18 PolarHBondContact O-N 3.09Å; D16-I21 HydrophobicContact CB-CD1 4.17Å; D16-R54 WeakPolarHBondContact OD1-CG 3.48Å; D16-R54 IonicContact OD1-CZ 3.42Å; D16-R54 IonicContact OD1-NH1 3.33Å; D16-R54 PolarHBondContact OD1-NH1 2.63Å; D16-T57 WeakPolarHBondContact OD2-CB 3.03Å; D16-T57 WeakPolarHBondContact OD2-CG2 3.47Å; D16-T57 PolarHBondContact OD2-OG1 3Å
17N93.3Very high93.3Very high57 Ų5773.2 Ų73.231%0.30535%0.349SS..  trans-89.389.3-175.9-172.5-65.6000109.6Q15 D19 L20 I21Q15-N17 PolarHBondContact O-N 2.72Å; N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 2.99Å; N17-L20 HydrophobicContact CB-CB 4.41Å; N17-L20 HydrophobicContact CB-CD1 4.26Å; N17-L20 PolarHBondContact O-N 3.13Å; N17-L20 VanDerWaalsContact OD1-CB 3.32Å; N17-L20 WeakPolarHBondContact OD1-CB 3.49Å; N17-L20 WeakPolarHBondContact OD1-CG 3.21Å; N17-L20 PolarHBondContact OD1-N 3.4Å; N17-I21 WeakPolarHBondContact O-CG1 3.22Å; N17-I21 PolarHBondContact O-N 3.43Å
18W95.8Very high93Very high140 Ų14068.5 Ų68.553%0.5333%0.332SS..Hα-helixtrans-63.5-31.3-173.5-72103.3000113.9D16 I21 L22 T57 A61D16-W18 PolarHBondContact O-N 3.09Å; W18-I21 HydrophobicContact CD2-CD1 4.09Å; W18-I21 HydrophobicContact CE3-CB 4.23Å; W18-I21 HydrophobicContact CE3-CD1 3.86Å; W18-I21 HydrophobicContact CE3-CG2 4Å; W18-I21 HydrophobicContact CZ3-CD1 4.14Å; W18-I21 HydrophobicContact CZ3-CG2 4.08Å; W18-I21 PolarHBondContact O-N 3.22Å; W18-L22 WeakPolarHBondContact O-CB 3.47Å; W18-L22 WeakPolarHBondContact O-CG 3.39Å; W18-L22 PolarHBondContact O-N 3.47Å; W18-T57 HydrophobicContact CH2-CG2 3.73Å; W18-T57 HydrophobicContact CZ2-CG2 4.09Å; W18-T57 HydrophobicContact CZ3-CG2 4.39Å; W18-A61 HydrophobicContact CZ3-CB 4.27Å
19D94.7Very high92.5Very high129 Ų12968.4 Ų68.469%0.6933%0.332SS*.Hα-helixtrans-60.3-48174.7-51.3-74.2000111.7N17 L22 E23N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 2.99Å; D19-L22 PolarHBondContact O-N 3.26Å; D19-E23 WeakPolarHBondContact O-CB 3.4Å; D19-E23 PolarHBondContact O-N 2.87Å
20L94.4Very high92.1Very high14 Ų1475.7 Ų75.77%0.07336%0.359CS..Hα-helixtrans-67.9-35.6175.8-70.6174.4000112.1L4 R7 C8 N17 I24L4-L20 HydrophobicContact CD2-CD2 3.8Å; R7-L20 HydrophobicContact CB-CD1 4.36Å; R7-L20 HydrophobicContact CG-CD1 3.82Å; C8-L20 HydrophobicContact CB-CB 4.17Å; N17-L20 HydrophobicContact CB-CB 4.41Å; N17-L20 HydrophobicContact CB-CD1 4.26Å; N17-L20 PolarHBondContact O-N 3.13Å; N17-L20 VanDerWaalsContact OD1-CB 3.32Å; N17-L20 WeakPolarHBondContact OD1-CB 3.49Å; N17-L20 WeakPolarHBondContact OD1-CG 3.21Å; N17-L20 PolarHBondContact OD1-N 3.4Å; L20-I24 WeakPolarHBondContact O-CB 3.46Å; L20-I24 VanDerWaalsContact O-CD1 3.29Å; L20-I24 WeakPolarHBondContact O-CD1 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.09Å
21I96.1Very high91.7Very high1 Ų181.2 Ų81.21%0.00538%0.381CS..Hα-helixtrans-61.7-49.9175.6-69.4167.2000110.1C8 D16 N17 W18 I24 C25 T57 L58 A61C8-I21 WeakPolarHBondContact SG-CG1 3.44Å; D16-I21 HydrophobicContact CB-CD1 4.17Å; N17-I21 WeakPolarHBondContact O-CG1 3.22Å; N17-I21 PolarHBondContact O-N 3.43Å; W18-I21 HydrophobicContact CD2-CD1 4.09Å; W18-I21 HydrophobicContact CE3-CB 4.23Å; W18-I21 HydrophobicContact CE3-CD1 3.86Å; W18-I21 HydrophobicContact CE3-CG2 4Å; W18-I21 HydrophobicContact CZ3-CD1 4.14Å; W18-I21 HydrophobicContact CZ3-CG2 4.08Å; W18-I21 PolarHBondContact O-N 3.22Å; I21-I24 PolarHBondContact O-N 2.87Å; I21-C25 PolarHBondContact O-N 2.98Å; I21-C25 PolarHBondContact O-SG 2.69Å; I21-T57 HydrophobicContact CD1-CG2 4.09Å; I21-L58 HydrophobicContact CB-CD1 4.34Å; I21-L58 HydrophobicContact CG1-CD1 4.2Å; I21-L58 HydrophobicContact CG2-CD1 4.1Å; I21-A61 HydrophobicContact CG2-CB 3.33Å
22L94.5Very high91.6Very high86 Ų8681.2 Ų81.245%0.4538%0.381SS..Hα-helixtrans-67.1-39.8-180-67.8174.3000111.7W18 D19 I24 C25 E26W18-L22 WeakPolarHBondContact O-CB 3.47Å; W18-L22 WeakPolarHBondContact O-CG 3.39Å; W18-L22 PolarHBondContact O-N 3.47Å; D19-L22 PolarHBondContact O-N 3.26Å; L22-I24 VanDerWaalsContact C-N 3.29Å; L22-I24 PolarHBondContact O-N 2.67Å; L22-C25 WeakPolarHBondContact O-CB 3.44Å; L22-C25 PolarHBondContact O-N 3.31Å; L22-E26 PolarHBondContact O-N 3.38Å
23E94.4Very high91.7Very high52 Ų5273.6 Ų73.624%0.24335%0.35CS..Hα-helixtrans-57.2-42.1172.2-178.1177.9-150.400111.8D19 K27D19-E23 WeakPolarHBondContact O-CB 3.4Å; D19-E23 PolarHBondContact O-N 2.87Å; E23-K27 HydrophobicContact CG-CD 3.69Å; E23-K27 HydrophobicContact CG-CG 4.27Å; E23-K27 WeakPolarHBondContact O-CB 3.46Å; E23-K27 PolarHBondContact O-N 2.81Å; E23-K27 IonicContact OE1-NZ 3.28Å; E23-K27 PolarHBondContact OE1-NZ 3.23Å
24I94.8Very high91.8Very high0 Ų073.9 Ų73.90%036%0.355CS..Hα-helixtrans-68.1-41177.8-67.7161000111.2L4 I5 C8 L20 I21 L22 Y28 A29 L58L4-I24 HydrophobicContact CB-CD1 4.33Å; L4-I24 HydrophobicContact CB-CG1 4.22Å; I5-I24 HydrophobicContact CG1-CD1 4.02Å; I5-I24 HydrophobicContact CG1-CG1 4.48Å; I5-I24 HydrophobicContact CG1-CG2 4.25Å; C8-I24 HydrophobicContact CB-CD1 3.84Å; L20-I24 WeakPolarHBondContact O-CB 3.46Å; L20-I24 VanDerWaalsContact O-CD1 3.29Å; L20-I24 WeakPolarHBondContact O-CD1 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.09Å; I21-I24 PolarHBondContact O-N 2.87Å; L22-I24 VanDerWaalsContact C-N 3.29Å; L22-I24 PolarHBondContact O-N 2.67Å; I24-Y28 PolarHBondContact O-N 2.91Å; I24-Y28 VanDerWaalsContact O-N 3.16Å; I24-A29 PolarHBondContact O-N 2.88Å; I24-L58 HydrophobicContact CB-CD1 4.13Å; I24-L58 HydrophobicContact CD1-CD1 4.1Å; I24-L58 HydrophobicContact CD1-CD2 4.04Å; I24-L58 HydrophobicContact CG2-CD1 3.99Å
25C94.2Very high92Very high3 Ų370.3 Ų70.32%0.0233%0.333CS..Iπ-helixtrans-60.8-47.2176.7-66.20000112I21 L22 R30 N65 C66I21-C25 PolarHBondContact O-N 2.98Å; I21-C25 PolarHBondContact O-SG 2.69Å; L22-C25 WeakPolarHBondContact O-CB 3.44Å; L22-C25 PolarHBondContact O-N 3.31Å; C25-R30 WeakPolarHBondContact O-CG 3.38Å; C25-N65 HydrophobicContact CB-CB 3.84Å; C25-C66 PolarHBondContact O-SG 3.22Å
26E91.1Very high92.2Very high123 Ų12363 Ų6358%0.57530%0.298SS*.Iπ-helixtrans-71.6-56.2-178.7-174.7-174.4-147.500111.9L22L22-E26 PolarHBondContact O-N 3.38Å
27K88.1Confident92.2Very high90 Ų9061.5 Ų61.539%0.39129%0.291SS..Iπ-helixtrans-82.4-27.8-166.2-61.1-175.4-172.4170.50114.2E23 Q31E23-K27 HydrophobicContact CG-CD 3.69Å; E23-K27 HydrophobicContact CG-CG 4.27Å; E23-K27 WeakPolarHBondContact O-CB 3.46Å; E23-K27 PolarHBondContact O-N 2.81Å; E23-K27 IonicContact OE1-NZ 3.28Å; E23-K27 PolarHBondContact OE1-NZ 3.23Å; K27-Q31 WeakPolarHBondContact O-CG 2.78Å; K27-Q31 PolarHBondContact O-NE2 3.23Å; K27-Q31 PolarHBondContact O-OE1 3.19Å
28Y88.4Confident92.2Very high65 Ų6563.9 Ų63.926%0.25530%0.3SS..Iπ-helixtrans-122.8-50.2-168.6-63.7-63.1000114M1 L4 I24 R30 Q31 E32M1-Y28 HydrophobicContact CB-CD1 3.64Å; M1-Y28 HydrophobicContact CB-CD2 4.3Å; M1-Y28 HydrophobicContact CB-CE1 4.03Å; M1-Y28 HydrophobicContact CB-CG 3.79Å; M1-Y28 HydrophobicContact CE-CD1 4.3Å; M1-Y28 HydrophobicContact CG-CD1 4.22Å; M1-Y28 HydrophobicContact CG-CG 3.97Å; M1-Y28 VanDerWaalsContact N-CE1 3.28Å; M1-Y28 PolarHBondContact N-OH 3.2Å; L4-Y28 HydrophobicContact CD1-CE2 3.58Å; I24-Y28 PolarHBondContact O-N 2.91Å; I24-Y28 VanDerWaalsContact O-N 3.16Å; Y28-R30 PolarHBondContact O-N 3.29Å; Y28-Q31 PolarHBondContact O-N 2.92Å; Y28-E32 PolarHBondContact O-N 3.27Å
29A83.7Confident92.2Very high1 Ų157.8 Ų57.81%0.00828%0.279CS..Iπ-helixtrans-66.9-25.3-176.400000113.2I24 P33 C36 C62 C66 F70I24-A29 PolarHBondContact O-N 2.88Å; A29-P33 WeakPolarHBondContact O-CA 3.36Å; A29-P33 WeakPolarHBondContact O-CB 3.46Å; A29-C36 HydrophobicContact CB-CB 4.4Å; A29-C62 HydrophobicContact CB-CB 4.17Å; A29-C66 HydrophobicContact CB-CB 4.37Å; A29-C66 WeakPolarHBondContact CB-SG 3.32Å; A29-F70 HydrophobicContact CB-CD2 3.87Å; A29-F70 HydrophobicContact CB-CE2 3.72Å
30R86.4Confident92.3Very high153 Ų15351.7 Ų51.758%0.57725%0.247SC*.THydrogen-bonded Turntrans-77.6-24.3170-72.6175.8178.5-169-1.2114.6C25 Y28 N65 C66C25-R30 WeakPolarHBondContact O-CG 3.38Å; Y28-R30 PolarHBondContact O-N 3.29Å; R30-N65 PolarHBondContact NE-O 3.48Å; R30-N65 PolarHBondContact NH2-O 2.94Å; R30-C66 HydrophobicContact CG-CB 4.07Å
31Q87.9Confident92.3Very high148 Ų14851.1 Ų51.169%0.69224%0.244SC*.THydrogen-bonded Turntrans-93.5-46.6-176.3-62.4-1737.400112.2K27 Y28K27-Q31 WeakPolarHBondContact O-CG 2.78Å; K27-Q31 PolarHBondContact O-NE2 3.23Å; K27-Q31 PolarHBondContact O-OE1 3.19Å; Y28-Q31 PolarHBondContact O-N 2.92Å
32E91.1Very high92.3Very high105 Ų10558.6 Ų58.649%0.49128%0.276SS..  trans-133.668.8-176.6-64.4-173.2127.100110.3M1 Y28 S34 V35 C36M1-E32 HydrophobicContact CE-CB 3.8Å; M1-E32 VanDerWaalsContact CE-OE2 3.23Å; M1-E32 WeakPolarHBondContact CE-OE2 3.27Å; Y28-E32 PolarHBondContact O-N 3.27Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 2.82Å; E32-V35 HydrophobicContact CB-CB 4.04Å; E32-V35 HydrophobicContact CB-CG2 4.11Å; E32-V35 PolarHBondContact O-N 2.99Å; E32-C36 WeakPolarHBondContact O-CB 3.19Å; E32-C36 PolarHBondContact O-N 2.79Å
33P92.9Very high92.4Very high16 Ų1656.7 Ų56.710%0.10426%0.263CS..Hα-helixtrans-58.3-43.3-172.323.4-34.8000112.5A29 V35 C36 I37 Q69 F70 E73A29-P33 WeakPolarHBondContact O-CA 3.36Å; A29-P33 WeakPolarHBondContact O-CB 3.46Å; P33-V35 PolarHBondContact O-N 2.91Å; P33-C36 WeakPolarHBondContact O-CB 3.45Å; P33-C36 PolarHBondContact O-N 2.98Å; P33-I37 WeakPolarHBondContact O-CB 3.38Å; P33-I37 WeakPolarHBondContact O-CG1 3.33Å; P33-I37 PolarHBondContact O-N 3.22Å; P33-Q69 HydrophobicContact CG-CG 4.5Å; P33-F70 HydrophobicContact CB-CB 4.37Å; P33-F70 HydrophobicContact CB-CD2 3.71Å; P33-F70 HydrophobicContact CB-CE2 4.49Å; P33-F70 HydrophobicContact CB-CG 4.38Å; P33-E73 HydrophobicContact CB-CG 3.99Å; P33-E73 HydrophobicContact CG-CG 4.05Å
34S92.1Very high92.5Very high44 Ų4454.2 Ų54.231%0.30825%0.252SS..Hα-helixtrans-61.2-46.2179.3-149.90000112.8E32 C36 I37 Q38 E73E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 2.82Å; S34-C36 VanDerWaalsContact C-N 3.31Å; S34-C36 PolarHBondContact O-N 2.74Å; S34-I37 PolarHBondContact O-N 3.09Å; S34-Q38 WeakPolarHBondContact O-CB 3.27Å; S34-Q38 VanDerWaalsContact O-CG 3.31Å; S34-Q38 WeakPolarHBondContact O-CG 3.46Å; S34-Q38 PolarHBondContact O-N 2.88Å; S34-E73 WeakPolarHBondContact CA-OE2 3.48Å; S34-E73 WeakPolarHBondContact CB-OE2 3.48Å; S34-E73 PolarHBondContact OG-OE2 3.24Å
35V93.4Very high92.6Very high57 Ų5756.5 Ų56.535%0.34526%0.262SS..Hα-helixtrans-66.2-37.3178.5-1740000110.7M1 E32 P33 A39M1-V35 HydrophobicContact CE-CB 4.07Å; M1-V35 HydrophobicContact CE-CG1 4.02Å; M1-V35 HydrophobicContact SD-CB 4.26Å; M1-V35 HydrophobicContact SD-CG1 3.83Å; E32-V35 HydrophobicContact CB-CB 4.04Å; E32-V35 HydrophobicContact CB-CG2 4.11Å; E32-V35 PolarHBondContact O-N 2.99Å; P33-V35 PolarHBondContact O-N 2.91Å; V35-A39 WeakPolarHBondContact O-CB 3.24Å; V35-A39 PolarHBondContact O-N 2.94Å; V35-A39 VanDerWaalsContact O-N 3.09Å
36C94.7Very high92.6Very high0 Ų059.6 Ų59.60%028%0.276CS..Hα-helixtrans-64.5-50.4175.4-166.30000111.5M1 A29 E32 P33 S34 Q38 A39 I40 F70M1-C36 HydrophobicContact CE-CB 4.37Å; M1-C36 HydrophobicContact SD-CB 4.14Å; A29-C36 HydrophobicContact CB-CB 4.4Å; E32-C36 WeakPolarHBondContact O-CB 3.19Å; E32-C36 PolarHBondContact O-N 2.79Å; P33-C36 WeakPolarHBondContact O-CB 3.45Å; P33-C36 PolarHBondContact O-N 2.98Å; S34-C36 VanDerWaalsContact C-N 3.31Å; S34-C36 PolarHBondContact O-N 2.74Å; C36-Q38 PolarHBondContact O-N 3.25Å; C36-A39 WeakPolarHBondContact O-CB 3.45Å; C36-A39 PolarHBondContact O-N 2.75Å; C36-A39 VanDerWaalsContact O-N 3.1Å; C36-I40 WeakPolarHBondContact O-CG1 3.41Å; C36-I40 PolarHBondContact O-N 2.92Å; C36-F70 HydrophobicContact CB-CE2 4.46Å
37I94.9Very high92.6Very high8 Ų861 Ų614%0.04128%0.28CS..Hα-helixtrans-60.1-44.9177.9-72.1161.7000111.1P33 S34 A39 I40 C41 F70 E73 L74 F79P33-I37 WeakPolarHBondContact O-CB 3.38Å; P33-I37 WeakPolarHBondContact O-CG1 3.33Å; P33-I37 PolarHBondContact O-N 3.22Å; S34-I37 PolarHBondContact O-N 3.09Å; I37-A39 VanDerWaalsContact C-N 3.28Å; I37-A39 PolarHBondContact O-N 3.37Å; I37-I40 PolarHBondContact O-N 3.48Å; I37-C41 WeakPolarHBondContact O-CB 3.21Å; I37-C41 PolarHBondContact O-N 3.02Å; I37-C41 PolarHBondContact O-SG 3.42Å; I37-F70 HydrophobicContact CD1-CD1 4.26Å; I37-F70 HydrophobicContact CD1-CD2 4.12Å; I37-F70 HydrophobicContact CD1-CE1 3.97Å; I37-F70 HydrophobicContact CD1-CE2 3.81Å; I37-F70 HydrophobicContact CD1-CG 4.34Å; I37-F70 HydrophobicContact CD1-CZ 3.73Å; I37-F70 HydrophobicContact CG1-CD2 4.35Å; I37-F70 HydrophobicContact CG1-CE1 3.97Å; I37-F70 HydrophobicContact CG1-CE2 3.55Å; I37-F70 HydrophobicContact CG1-CZ 3.32Å; I37-E73 HydrophobicContact CD1-CB 3.37Å; I37-E73 HydrophobicContact CD1-CG 4.41Å; I37-L74 HydrophobicContact CD1-CD2 3.78Å; I37-L74 HydrophobicContact CD1-CG 4.13Å; I37-L74 HydrophobicContact CG1-CD2 4.06Å; I37-L74 HydrophobicContact CG2-CD2 4.48Å; I37-F79 HydrophobicContact CG2-CD2 3.45Å; I37-F79 VanDerWaalsContact CG2-CD2 3.45Å; I37-F79 HydrophobicContact CG2-CE2 3.79Å; I37-F79 HydrophobicContact CG2-CG 4.48Å
38Q93.9Very high92.9Very high107 Ų10758.8 Ų58.850%0.527%0.272SS..Hα-helixtrans-60.9-35.5175.5-72.318027.200112.9S34 C36 K42S34-Q38 WeakPolarHBondContact O-CB 3.27Å; S34-Q38 VanDerWaalsContact O-CG 3.31Å; S34-Q38 WeakPolarHBondContact O-CG 3.46Å; S34-Q38 PolarHBondContact O-N 2.88Å; C36-Q38 PolarHBondContact O-N 3.25Å; Q38-K42 WeakPolarHBondContact O-CG 3.43Å; Q38-K42 PolarHBondContact O-N 3.4Å
39A95Very high93.1Very high12 Ų1257.5 Ų57.510%0.09927%0.272CS..Hα-helixtrans-72.8-39.117600000112.3K2 I5 V35 C36 I37K2-A39 HydrophobicContact CG-CB 4.43Å; I5-A39 HydrophobicContact CD1-CB 3.6Å; V35-A39 WeakPolarHBondContact O-CB 3.24Å; V35-A39 PolarHBondContact O-N 2.94Å; V35-A39 VanDerWaalsContact O-N 3.09Å; C36-A39 WeakPolarHBondContact O-CB 3.45Å; C36-A39 PolarHBondContact O-N 2.75Å; C36-A39 VanDerWaalsContact O-N 3.1Å; I37-A39 VanDerWaalsContact C-N 3.28Å; I37-A39 PolarHBondContact O-N 3.37Å
40I96.6Very high93.6Very high0 Ų059.5 Ų59.50%028%0.283CS..Hα-helixtrans-66.6-46.2175.6-65.2165.2000110.7I5 C36 I37 K42 R43 I44 A55 L58 L59I5-I40 HydrophobicContact CD1-CG1 4.28Å; I5-I40 HydrophobicContact CG2-CG1 4.37Å; C36-I40 WeakPolarHBondContact O-CG1 3.41Å; C36-I40 PolarHBondContact O-N 2.92Å; I37-I40 PolarHBondContact O-N 3.48Å; I40-K42 VanDerWaalsContact C-N 3.26Å; I40-K42 PolarHBondContact O-N 3.13Å; I40-R43 CarbonylContact O-C 3.52Å; I40-R43 WeakPolarHBondContact O-CA 3.33Å; I40-R43 WeakPolarHBondContact O-CB 3.24Å; I40-R43 PolarHBondContact O-N 3.5Å; I40-I44 HydrophobicContact CG2-CD1 4.06Å; I40-I44 HydrophobicContact CG2-CG1 4.24Å; I40-I44 PolarHBondContact O-N 3.33Å; I40-A55 HydrophobicContact CG2-CB 4.37Å; I40-A55 VanDerWaalsContact CG2-O 3.27Å; I40-A55 WeakPolarHBondContact CG2-O 3.41Å; I40-L58 HydrophobicContact CD1-CD2 4.27Å; I40-L58 HydrophobicContact CD1-CG 4.01Å; I40-L58 HydrophobicContact CG1-CD2 3.96Å; I40-L58 HydrophobicContact CG1-CG 4.2Å; I40-L59 HydrophobicContact CB-CD1 4.47Å; I40-L59 HydrophobicContact CD1-CD1 4.43Å; I40-L59 HydrophobicContact CG2-CB 4.01Å; I40-L59 HydrophobicContact CG2-CD1 3.96Å
41C95.4Very high94.1Very high2 Ų252.2 Ų52.21%0.01426%0.255CS..Hα-helixtrans-56.3-39.3179.3-68.40000112.4I37 R43 I44 F45 L82I37-C41 WeakPolarHBondContact O-CB 3.21Å; I37-C41 PolarHBondContact O-N 3.02Å; I37-C41 PolarHBondContact O-SG 3.42Å; C41-R43 PolarHBondContact O-N 3.23Å; C41-R43 VanDerWaalsContact O-N 3.14Å; C41-I44 PolarHBondContact O-N 2.87Å; C41-I44 VanDerWaalsContact O-N 3.1Å; C41-F45 HydrophobicContact CB-CD2 4.47Å; C41-F45 HydrophobicContact CB-CE2 4.33Å; C41-F45 WeakPolarHBondContact O-CD2 3.41Å; C41-F45 PolarHBondContact O-N 3.1Å; C41-F45 VanDerWaalsContact O-N 3.07Å; C41-L82 HydrophobicContact CB-CD2 3.73Å
42K95.4Very high94.5Very high158 Ų15845.4 Ų45.469%0.68722%0.224SC*.Hα-helixtrans-64-14.4175.2-73.3174.9179.7-179.50114.2Q38 I40Q38-K42 WeakPolarHBondContact O-CG 3.43Å; Q38-K42 PolarHBondContact O-N 3.4Å; I40-K42 VanDerWaalsContact C-N 3.26Å; I40-K42 PolarHBondContact O-N 3.13Å
43R96.5Very high94.7Very high46 Ų4642.2 Ų42.217%0.17421%0.21CC..Hα-helixtrans-100.2-26.7172.3-55.6-63.3-71.9172.2-3.2112.2I5 T9 I40 C41 H46 V51 S52 A55I5-R43 HydrophobicContact CG2-CG 4.19Å; T9-R43 HydrophobicContact CG2-CB 4.4Å; T9-R43 PolarHBondContact O-NH2 3.27Å; T9-R43 WeakPolarHBondContact OG1-CG 3.4Å; T9-R43 PolarHBondContact OG1-NE 3.41Å; I40-R43 CarbonylContact O-C 3.52Å; I40-R43 WeakPolarHBondContact O-CA 3.33Å; I40-R43 WeakPolarHBondContact O-CB 3.24Å; I40-R43 PolarHBondContact O-N 3.5Å; C41-R43 PolarHBondContact O-N 3.23Å; C41-R43 VanDerWaalsContact O-N 3.14Å; R43-H46 WeakPolarHBondContact O-CB 3.48Å; R43-H46 PolarHBondContact O-N 2.85Å; R43-V51 HydrophobicContact CB-CG1 4.1Å; R43-V51 VanDerWaalsContact CZ-CG1 3.43Å; R43-S52 WeakPolarHBondContact O-CA 3.25Å; R43-A55 VanDerWaalsContact C-CB 3.48Å; R43-A55 HydrophobicContact CB-CB 3.53Å
44I96.7Very high94.9Very high1 Ų142.2 Ų42.21%0.00521%0.208CC..Hα-helixtrans-62.8-50.4170.6-63.2179.5000110.2I40 C41 H46 S52 A55 I56 L59 L90I40-I44 HydrophobicContact CG2-CD1 4.06Å; I40-I44 HydrophobicContact CG2-CG1 4.24Å; I40-I44 PolarHBondContact O-N 3.33Å; C41-I44 PolarHBondContact O-N 2.87Å; C41-I44 VanDerWaalsContact O-N 3.1Å; I44-H46 PolarHBondContact O-N 2.97Å; I44-S52 WeakPolarHBondContact O-CB 3.45Å; I44-S52 PolarHBondContact O-OG 2.88Å; I44-A55 HydrophobicContact CB-CB 4.43Å; I44-A55 HydrophobicContact CG1-CB 3.6Å; I44-I56 HydrophobicContact CD1-CG1 4.25Å; I44-I56 HydrophobicContact CG1-CG1 4.02Å; I44-I56 HydrophobicContact CG2-CD1 4.29Å; I44-I56 HydrophobicContact CG2-CG1 4Å; I44-L59 HydrophobicContact CD1-CB 4.39Å; I44-L59 HydrophobicContact CD1-CD2 3.79Å; I44-L90 HydrophobicContact CG2-CD2 4.41Å
45F95.4Very high95.2Very high48 Ų4840.1 Ų40.121%0.21119%0.193CC..THydrogen-bonded Turntrans-82.232.7179.5-56.4-66.8000113.5C41 L82 I83 N86 L90C41-F45 HydrophobicContact CB-CD2 4.47Å; C41-F45 HydrophobicContact CB-CE2 4.33Å; C41-F45 WeakPolarHBondContact O-CD2 3.41Å; C41-F45 PolarHBondContact O-N 3.1Å; C41-F45 VanDerWaalsContact O-N 3.07Å; F45-L82 HydrophobicContact CE2-CG 4.38Å; F45-I83 HydrophobicContact CZ-CD1 4.08Å; F45-N86 HydrophobicContact CD1-CB 3.35Å; F45-N86 HydrophobicContact CD2-CB 4.2Å; F45-N86 HydrophobicContact CE1-CB 3.3Å; F45-N86 WeakPolarHBondContact CE1-O 3.31Å; F45-N86 HydrophobicContact CE2-CB 4.15Å; F45-N86 HydrophobicContact CG-CB 3.85Å; F45-N86 HydrophobicContact CZ-CB 3.74Å; F45-L90 HydrophobicContact CD1-CD1 3.23Å; F45-L90 HydrophobicContact CE1-CD1 3.34Å; F45-L90 HydrophobicContact CG-CD1 4.41Å
46H94.8Very high95.3Very high67 Ų6737.4 Ų37.431%0.3118%0.177SC..  trans-86.4151.6178.8-167.7-107.1000111.8R43 I44 N48 V51 S52R43-H46 WeakPolarHBondContact O-CB 3.48Å; R43-H46 PolarHBondContact O-N 2.85Å; I44-H46 PolarHBondContact O-N 2.97Å; H46-N48 VanDerWaalsContact C-N 3.34Å; H46-N48 PolarHBondContact ND1-N 3.43Å; H46-N48 PolarHBondContact O-N 3.4Å; H46-V51 HydrophobicContact CB-CB 4.16Å; H46-V51 HydrophobicContact CB-CG1 3.76Å; H46-V51 WeakPolarHBondContact ND1-CB 3.46Å; H46-S52 PolarHBondContact O-OG 2.89Å
47K92.6Very high95.4Very high152 Ų15238 Ų3866%0.66118%0.18SC*.SBendtrans-64-36.1179.9-69.5-168.7175.3-170.90113.3S476K47-S476 PolarHBondContact NZ-O 3.15Å; K47-S476 VanDerWaalsContact NZ-O 3.1Å
48N92.9Very high95.5Very high44 Ų4437.7 Ų37.724%0.23518%0.178CC..SBendtrans-84.5115.9-179.1-177.5-23.8000110.1E11 H46 N50 V51 S52E11-N48 VanDerWaalsContact CB-ND2 3.27Å; E11-N48 WeakPolarHBondContact CB-ND2 3.34Å; E11-N48 PolarHBondContact OE2-ND2 3.2Å; H46-N48 VanDerWaalsContact C-N 3.34Å; H46-N48 PolarHBondContact ND1-N 3.43Å; H46-N48 PolarHBondContact O-N 3.4Å; N48-N50 VanDerWaalsContact C-N 3.26Å; N48-N50 PolarHBondContact O-N 3.2Å; N48-N50 WeakPolarHBondContact OD1-CB 3.39Å; N48-N50 PolarHBondContact OD1-N 3.2Å; N48-V51 HydrophobicContact CB-CG2 4.09Å; N48-V51 WeakPolarHBondContact O-CB 3.47Å; N48-V51 PolarHBondContact O-N 3.47Å; N48-S52 PolarHBondContact O-N 2.9Å
49P93.8Very high95.7Very high38 Ų3832.6 Ų32.625%0.24716%0.155CC..Hα-helixtrans-65.2-25.3-175.326.6-34.9000113.5V51 S52 I53 Q91 P94P49-V51 VanDerWaalsContact C-N 3.27Å; P49-V51 PolarHBondContact O-N 3.39Å; P49-S52 PolarHBondContact O-N 3.5Å; P49-I53 WeakPolarHBondContact O-CB 3.47Å; P49-I53 WeakPolarHBondContact O-CD1 3.29Å; P49-I53 VanDerWaalsContact O-CG1 3.26Å; P49-I53 WeakPolarHBondContact O-CG1 3.39Å; P49-I53 PolarHBondContact O-N 3.12Å; P49-Q91 HydrophobicContact CB-CB 4.4Å; P49-P94 HydrophobicContact CB-CG 3.78Å
50N93.1Very high95.7Very high44 Ų4433.4 Ų33.424%0.23516%0.157CC..Hα-helixtrans-61.8-37.6173.9-169.828.9000111E11 N13 N48 R54E11-N50 PolarHBondContact O-ND2 3.39Å; N13-N50 PolarHBondContact O-ND2 3.13Å; N48-N50 VanDerWaalsContact C-N 3.26Å; N48-N50 PolarHBondContact O-N 3.2Å; N48-N50 WeakPolarHBondContact OD1-CB 3.39Å; N48-N50 PolarHBondContact OD1-N 3.2Å; N50-R54 VanDerWaalsContact O-CD 3.3Å; N50-R54 WeakPolarHBondContact O-CD 3.39Å; N50-R54 WeakPolarHBondContact O-CG 3.41Å; N50-R54 PolarHBondContact O-N 2.86Å; N50-R54 PolarHBondContact O-NE 3.36Å; N50-R54 PolarHBondContact OD1-NE 3.1Å; N50-R54 PolarHBondContact OD1-NH2 2.87Å
51V96.7Very high95.7Very high0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-68.6-45.2175.4174.70000110.8T9 E11 R43 H46 N48 P49 R54 A55T9-V51 WeakPolarHBondContact O-CG1 3.27Å; E11-V51 HydrophobicContact CB-CG2 3.82Å; R43-V51 HydrophobicContact CB-CG1 4.1Å; R43-V51 VanDerWaalsContact CZ-CG1 3.43Å; H46-V51 HydrophobicContact CB-CB 4.16Å; H46-V51 HydrophobicContact CB-CG1 3.76Å; H46-V51 WeakPolarHBondContact ND1-CB 3.46Å; N48-V51 HydrophobicContact CB-CG2 4.09Å; N48-V51 WeakPolarHBondContact O-CB 3.47Å; N48-V51 PolarHBondContact O-N 3.47Å; P49-V51 VanDerWaalsContact C-N 3.27Å; P49-V51 PolarHBondContact O-N 3.39Å; V51-R54 PolarHBondContact O-N 3.19Å; V51-A55 WeakPolarHBondContact O-CB 3.5Å; V51-A55 PolarHBondContact O-N 2.64Å
52S96.8Very high95.7Very high4 Ų433.6 Ų33.63%0.02816%0.159CC..Hα-helixtrans-60.5-49.3179.2-56.90000112.4R43 I44 H46 N48 P49 R54 A55 I56R43-S52 WeakPolarHBondContact O-CA 3.25Å; I44-S52 WeakPolarHBondContact O-CB 3.45Å; I44-S52 PolarHBondContact O-OG 2.88Å; H46-S52 PolarHBondContact O-OG 2.89Å; N48-S52 PolarHBondContact O-N 2.9Å; P49-S52 PolarHBondContact O-N 3.5Å; S52-R54 PolarHBondContact O-N 3.1Å; S52-A55 PolarHBondContact O-N 3.32Å; S52-A55 VanDerWaalsContact O-N 3.16Å; S52-I56 WeakPolarHBondContact O-CB 3.39Å; S52-I56 WeakPolarHBondContact O-CD1 3.11Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.36Å
53I95.8Very high95.6Very high39 Ų3926.2 Ų26.220%0.213%0.127CC..Hα-helixtrans-58.6-33.7-179-73.3165.4000111.9P49 T57 I93 P94 K97P49-I53 WeakPolarHBondContact O-CB 3.47Å; P49-I53 WeakPolarHBondContact O-CD1 3.29Å; P49-I53 VanDerWaalsContact O-CG1 3.26Å; P49-I53 WeakPolarHBondContact O-CG1 3.39Å; P49-I53 PolarHBondContact O-N 3.12Å; I53-T57 PolarHBondContact O-N 3.09Å; I53-T57 VanDerWaalsContact O-N 3.12Å; I53-T57 PolarHBondContact O-OG1 3.49Å; I53-I93 HydrophobicContact CD1-CB 4.19Å; I53-I93 HydrophobicContact CD1-CG2 3.64Å; I53-I93 HydrophobicContact CG1-CG2 4.43Å; I53-P94 HydrophobicContact CG1-CG 4.12Å; I53-K97 HydrophobicContact CG2-CD 3.89Å; I53-K97 PolarHBondContact O-NZ 2.98Å
54R96.6Very high95.4Very high16 Ų1628.2 Ų28.26%0.0614%0.137CC..Hα-helixtrans-77.2-41.7177.3-66.4175.2-168.6-63.8-10.6112.6T9 N13 T14 Q15 D16 N50 V51 S52 I56 T57 L58T9-R54 HydrophobicContact CG2-CB 4.12Å; N13-R54 VanDerWaalsContact O-CZ 3.23Å; N13-R54 PolarHBondContact O-NE 3.3Å; N13-R54 PolarHBondContact O-NH2 3.2Å; T14-R54 PolarHBondContact O-NH2 3.15Å; Q15-R54 PolarHBondContact O-NH1 3.33Å; D16-R54 WeakPolarHBondContact OD1-CG 3.48Å; D16-R54 IonicContact OD1-CZ 3.42Å; D16-R54 IonicContact OD1-NH1 3.33Å; D16-R54 PolarHBondContact OD1-NH1 2.63Å; N50-R54 VanDerWaalsContact O-CD 3.3Å; N50-R54 WeakPolarHBondContact O-CD 3.39Å; N50-R54 WeakPolarHBondContact O-CG 3.41Å; N50-R54 PolarHBondContact O-N 2.86Å; N50-R54 PolarHBondContact O-NE 3.36Å; N50-R54 PolarHBondContact OD1-NE 3.1Å; N50-R54 PolarHBondContact OD1-NH2 2.87Å; V51-R54 PolarHBondContact O-N 3.19Å; S52-R54 PolarHBondContact O-N 3.1Å; R54-I56 PolarHBondContact O-N 2.9Å; R54-T57 PolarHBondContact O-N 3.37Å; R54-L58 WeakPolarHBondContact O-CB 3.16Å; R54-L58 PolarHBondContact O-N 3.24Å
55A97.6Very high95.2Very high0 Ų031.4 Ų31.40%015%0.154CC..Hα-helixtrans-62.5-34173.600000111.5T9 I40 R43 I44 V51 S52 L58 L59T9-A55 HydrophobicContact CG2-CB 3.93Å; I40-A55 HydrophobicContact CG2-CB 4.37Å; I40-A55 VanDerWaalsContact CG2-O 3.27Å; I40-A55 WeakPolarHBondContact CG2-O 3.41Å; R43-A55 VanDerWaalsContact C-CB 3.48Å; R43-A55 HydrophobicContact CB-CB 3.53Å; I44-A55 HydrophobicContact CB-CB 4.43Å; I44-A55 HydrophobicContact CG1-CB 3.6Å; V51-A55 WeakPolarHBondContact O-CB 3.5Å; V51-A55 PolarHBondContact O-N 2.64Å; S52-A55 PolarHBondContact O-N 3.32Å; S52-A55 VanDerWaalsContact O-N 3.16Å; A55-L58 PolarHBondContact O-N 2.81Å; A55-L59 PolarHBondContact O-N 3.45Å
56I97Very high95Very high0 Ų029.9 Ų29.90%015%0.149CC..Hα-helixtrans-68.4-43.6173.2-68.1165.5000111.3I44 S52 R54 L58 L59 D60 P94 K97 L98 I101I44-I56 HydrophobicContact CD1-CG1 4.25Å; I44-I56 HydrophobicContact CG1-CG1 4.02Å; I44-I56 HydrophobicContact CG2-CD1 4.29Å; I44-I56 HydrophobicContact CG2-CG1 4Å; S52-I56 WeakPolarHBondContact O-CB 3.39Å; S52-I56 WeakPolarHBondContact O-CD1 3.11Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.36Å; R54-I56 PolarHBondContact O-N 2.9Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.44Å; I56-L59 PolarHBondContact O-N 3Å; I56-D60 PolarHBondContact O-N 3.29Å; I56-P94 HydrophobicContact CD1-CB 4.03Å; I56-P94 WeakPolarHBondContact CD1-O 3.47Å; I56-K97 HydrophobicContact CG2-CB 4.32Å; I56-K97 HydrophobicContact CG2-CD 4.02Å; I56-K97 HydrophobicContact CG2-CG 3.83Å; I56-L98 HydrophobicContact CD1-CB 4.21Å; I56-I101 HydrophobicContact CG2-CD1 3.27Å
57T96.7Very high94.7Very high13 Ų1328.2 Ų28.28%0.0815%0.15CC..Hα-helixtrans-57.4-47.8170.9-51.60000111.1D16 W18 I21 I53 R54 L59 D60 A61 K97D16-T57 WeakPolarHBondContact OD2-CB 3.03Å; D16-T57 WeakPolarHBondContact OD2-CG2 3.47Å; D16-T57 PolarHBondContact OD2-OG1 3Å; W18-T57 HydrophobicContact CH2-CG2 3.73Å; W18-T57 HydrophobicContact CZ2-CG2 4.09Å; W18-T57 HydrophobicContact CZ3-CG2 4.39Å; I21-T57 HydrophobicContact CD1-CG2 4.09Å; I53-T57 PolarHBondContact O-N 3.09Å; I53-T57 VanDerWaalsContact O-N 3.12Å; I53-T57 PolarHBondContact O-OG1 3.49Å; R54-T57 PolarHBondContact O-N 3.37Å; T57-L59 VanDerWaalsContact C-N 3.29Å; T57-L59 PolarHBondContact O-N 2.93Å; T57-D60 PolarHBondContact O-N 3.32Å; T57-A61 WeakPolarHBondContact O-CB 3.3Å; T57-A61 PolarHBondContact O-N 3.4Å; T57-K97 PolarHBondContact OG1-NZ 3.15Å
58L97.2Very high94.5Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-62.1-36.4-177.8179.659.3000112I5 T9 I21 I24 I40 R54 A55 I56 C62I5-L58 HydrophobicContact CG1-CD2 4.31Å; I5-L58 HydrophobicContact CG2-CD2 4.02Å; T9-L58 HydrophobicContact CG2-CD2 4.23Å; I21-L58 HydrophobicContact CB-CD1 4.34Å; I21-L58 HydrophobicContact CG1-CD1 4.2Å; I21-L58 HydrophobicContact CG2-CD1 4.1Å; I24-L58 HydrophobicContact CB-CD1 4.13Å; I24-L58 HydrophobicContact CD1-CD1 4.1Å; I24-L58 HydrophobicContact CD1-CD2 4.04Å; I24-L58 HydrophobicContact CG2-CD1 3.99Å; I40-L58 HydrophobicContact CD1-CD2 4.27Å; I40-L58 HydrophobicContact CD1-CG 4.01Å; I40-L58 HydrophobicContact CG1-CD2 3.96Å; I40-L58 HydrophobicContact CG1-CG 4.2Å; R54-L58 WeakPolarHBondContact O-CB 3.16Å; R54-L58 PolarHBondContact O-N 3.24Å; A55-L58 PolarHBondContact O-N 2.81Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.44Å; L58-C62 WeakPolarHBondContact O-CB 3.43Å; L58-C62 PolarHBondContact O-N 3.46Å; L58-C62 PolarHBondContact O-SG 3.2Å
59L96.7Very high94.4Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-65.1-46.4176-166.471.7000112.3I40 I44 A55 I56 T57 C62 S63 F70 L74 F79 W105I40-L59 HydrophobicContact CB-CD1 4.47Å; I40-L59 HydrophobicContact CD1-CD1 4.43Å; I40-L59 HydrophobicContact CG2-CB 4.01Å; I40-L59 HydrophobicContact CG2-CD1 3.96Å; I44-L59 HydrophobicContact CD1-CB 4.39Å; I44-L59 HydrophobicContact CD1-CD2 3.79Å; A55-L59 PolarHBondContact O-N 3.45Å; I56-L59 PolarHBondContact O-N 3Å; T57-L59 VanDerWaalsContact C-N 3.29Å; T57-L59 PolarHBondContact O-N 2.93Å; L59-C62 PolarHBondContact O-N 2.97Å; L59-S63 PolarHBondContact O-N 3.24Å; L59-F70 HydrophobicContact CD1-CZ 4.43Å; L59-L74 HydrophobicContact CD1-CD2 3.85Å; L59-L74 HydrophobicContact CG-CD2 4.34Å; L59-F79 HydrophobicContact CD2-CE2 4.4Å; L59-F79 HydrophobicContact CD2-CZ 4.06Å; L59-W105 HydrophobicContact CD2-CH2 3.83Å; L59-W105 HydrophobicContact CD2-CZ2 4.46Å; L59-W105 HydrophobicContact CG-CH2 4.21Å; L59-W105 HydrophobicContact CG-CZ2 4.46Å
60D95.8Very high94.5Very high30 Ų3026.4 Ų26.416%0.1614%0.138CC..Hα-helixtrans-63.2-44.1177.2-170.946.6000111.4I56 T57 C62 S63 K64 I101I56-D60 PolarHBondContact O-N 3.29Å; T57-D60 PolarHBondContact O-N 3.32Å; D60-C62 PolarHBondContact O-N 3.44Å; D60-S63 WeakPolarHBondContact O-CB 3.01Å; D60-S63 PolarHBondContact O-N 3.09Å; D60-K64 PolarHBondContact O-N 3.06Å; D60-K64 VanDerWaalsContact O-N 3.08Å; D60-K64 WeakPolarHBondContact OD1-CE 3.47Å; D60-K64 IonicContact OD1-NZ 3.2Å; D60-K64 PolarHBondContact OD1-NZ 3.17Å; D60-K64 IonicContact OD2-NZ 2.64Å; D60-K64 PolarHBondContact OD2-NZ 3.34Å; D60-I101 HydrophobicContact CB-CD1 3.86Å; D60-I101 HydrophobicContact CB-CG1 4.11Å; D60-I101 HydrophobicContact CB-CG2 4.48Å
61A95.6Very high94.5Very high6 Ų625 Ų255%0.0513%0.13CC..Hα-helixtrans-61.4-44.3176.600000112.4W18 I21 T57 K64 N65W18-A61 HydrophobicContact CZ3-CB 4.27Å; I21-A61 HydrophobicContact CG2-CB 3.33Å; T57-A61 WeakPolarHBondContact O-CB 3.3Å; T57-A61 PolarHBondContact O-N 3.4Å; A61-K64 PolarHBondContact O-N 3.17Å; A61-N65 WeakPolarHBondContact O-CB 3.34Å; A61-N65 PolarHBondContact O-N 3.21Å; A61-N65 PolarHBondContact O-ND2 3.21Å
62C95.7Very high94.4Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-64.1-40.7174.5-69.90000111.9A29 L58 L59 D60 K64 N65 C66 F70A29-C62 HydrophobicContact CB-CB 4.17Å; L58-C62 WeakPolarHBondContact O-CB 3.43Å; L58-C62 PolarHBondContact O-N 3.46Å; L58-C62 PolarHBondContact O-SG 3.2Å; L59-C62 PolarHBondContact O-N 2.97Å; D60-C62 PolarHBondContact O-N 3.44Å; C62-K64 VanDerWaalsContact C-N 3.28Å; C62-K64 PolarHBondContact O-N 3.48Å; C62-N65 PolarHBondContact O-N 3.06Å; C62-C66 WeakPolarHBondContact O-CB 3.47Å; C62-C66 PolarHBondContact O-N 2.84Å; C62-C66 PolarHBondContact O-SG 2.93Å; C62-F70 HydrophobicContact CB-CD1 4.25Å; C62-F70 HydrophobicContact CB-CD2 4.37Å; C62-F70 HydrophobicContact CB-CE1 3.56Å; C62-F70 HydrophobicContact CB-CE2 3.72Å; C62-F70 HydrophobicContact CB-CZ 3.26Å
63S93.8Very high94.3Very high2 Ų232.4 Ų32.41%0.01416%0.16CC..Hα-helixtrans-58.1-40.3177.7-171.60000112.8L59 D60 N71 L74L59-S63 PolarHBondContact O-N 3.24Å; D60-S63 WeakPolarHBondContact O-CB 3.01Å; D60-S63 PolarHBondContact O-N 3.09Å; S63-N71 VanDerWaalsContact CA-OD1 3.27Å; S63-N71 WeakPolarHBondContact CA-OD1 3.31Å; S63-N71 WeakPolarHBondContact CB-OD1 3.49Å; S63-N71 PolarHBondContact O-ND2 3.38Å; S63-N71 VanDerWaalsContact O-ND2 3.17Å; S63-N71 PolarHBondContact O-OD1 2.8Å; S63-N71 VanDerWaalsContact O-OD1 3.13Å; S63-N71 PolarHBondContact OG-OD1 2.63Å; S63-L74 WeakPolarHBondContact OG-CD1 3.28Å
64K92.3Very high94.2Very high89 Ų8930.5 Ų30.539%0.38715%0.151SC..Hα-helixtrans-79.1-36.5179.7-75.7158.9175.8152.50113.7D60 A61 C62 E108D60-K64 PolarHBondContact O-N 3.06Å; D60-K64 VanDerWaalsContact O-N 3.08Å; D60-K64 WeakPolarHBondContact OD1-CE 3.47Å; D60-K64 IonicContact OD1-NZ 3.2Å; D60-K64 PolarHBondContact OD1-NZ 3.17Å; D60-K64 IonicContact OD2-NZ 2.64Å; D60-K64 PolarHBondContact OD2-NZ 3.34Å; A61-K64 PolarHBondContact O-N 3.17Å; C62-K64 VanDerWaalsContact C-N 3.28Å; C62-K64 PolarHBondContact O-N 3.48Å; K64-E108 WeakPolarHBondContact CE-OE1 3.34Å; K64-E108 IonicContact NZ-OE1 2.86Å; K64-E108 PolarHBondContact NZ-OE1 3.04Å
65N92.6Very high94.1Very high68 Ų6830.1 Ų30.136%0.36415%0.15SC..Hα-helixtrans-94.3-17.1-173.2-71.3-80.4000115.1C25 R30 A61 C62C25-N65 HydrophobicContact CB-CB 3.84Å; R30-N65 PolarHBondContact NE-O 3.48Å; R30-N65 PolarHBondContact NH2-O 2.94Å; A61-N65 WeakPolarHBondContact O-CB 3.34Å; A61-N65 PolarHBondContact O-N 3.21Å; A61-N65 PolarHBondContact O-ND2 3.21Å; C62-N65 PolarHBondContact O-N 3.06Å
66C90.2Very high94Very high16 Ų1631.5 Ų31.511%0.10816%0.16CC..Hα-helixtrans-103.3-9.9-176-53.60000113.5C25 A29 R30 C62 F70C25-C66 PolarHBondContact O-SG 3.22Å; A29-C66 HydrophobicContact CB-CB 4.37Å; A29-C66 WeakPolarHBondContact CB-SG 3.32Å; R30-C66 HydrophobicContact CG-CB 4.07Å; C62-C66 WeakPolarHBondContact O-CB 3.47Å; C62-C66 PolarHBondContact O-N 2.84Å; C62-C66 PolarHBondContact O-SG 2.93Å; C66-F70 HydrophobicContact CB-CB 3.59Å; C66-F70 HydrophobicContact CB-CD2 4.2Å; C66-F70 HydrophobicContact CB-CG 3.98Å
67G88.4Confident93.9Very high32 Ų3238.1 Ų38.133%0.3319%0.189SC..  trans69.4-166.3172.600000114.5Q69 F70 N71G67-Q69 PolarHBondContact O-N 3.34Å; G67-F70 PolarHBondContact O-N 3.21Å; G67-N71 PolarHBondContact O-N 3.07Å
68K89.7Confident93.8Very high87 Ų8743.2 Ų43.238%0.37822%0.216SC..Hα-helixtrans-58.6-28.2-165.5-174.9160.3173.8164.70115F70 N71 R72 D112 E114K68-F70 VanDerWaalsContact C-N 3.35Å; K68-F70 PolarHBondContact O-N 2.67Å; K68-N71 PolarHBondContact O-N 3.26Å; K68-R72 HydrophobicContact CG-CG 4.47Å; K68-R72 WeakPolarHBondContact O-CG 3.21Å; K68-R72 PolarHBondContact O-N 3.42Å; K68-D112 WeakPolarHBondContact CD-OD2 3.32Å; K68-D112 WeakPolarHBondContact CE-OD2 3.34Å; K68-D112 IonicContact NZ-OD1 2.91Å; K68-D112 PolarHBondContact NZ-OD1 3.08Å; K68-D112 IonicContact NZ-OD2 2.74Å; K68-D112 PolarHBondContact NZ-OD2 2.98Å; K68-E114 WeakPolarHBondContact CE-OE2 3.39Å; K68-E114 IonicContact NZ-OE2 2.69Å; K68-E114 PolarHBondContact NZ-OE2 3.03Å
69Q91Very high93.7Very high107 Ų10743.6 Ų43.650%0.522%0.217SC..Hα-helixtrans-68.3-31.5177-173.755.341.900113.1P33 G67P33-Q69 HydrophobicContact CG-CG 4.5Å; G67-Q69 PolarHBondContact O-N 3.34Å
70F94.7Very high93.5Very high1 Ų144.2 Ų44.20%0.00422%0.221CC..Hα-helixtrans-77.6-40.8171.5-171.4-89.3000110.8A29 P33 C36 I37 L59 C62 C66 G67 K68 R72 E73 L74A29-F70 HydrophobicContact CB-CD2 3.87Å; A29-F70 HydrophobicContact CB-CE2 3.72Å; P33-F70 HydrophobicContact CB-CB 4.37Å; P33-F70 HydrophobicContact CB-CD2 3.71Å; P33-F70 HydrophobicContact CB-CE2 4.49Å; P33-F70 HydrophobicContact CB-CG 4.38Å; C36-F70 HydrophobicContact CB-CE2 4.46Å; I37-F70 HydrophobicContact CD1-CD1 4.26Å; I37-F70 HydrophobicContact CD1-CD2 4.12Å; I37-F70 HydrophobicContact CD1-CE1 3.97Å; I37-F70 HydrophobicContact CD1-CE2 3.81Å; I37-F70 HydrophobicContact CD1-CG 4.34Å; I37-F70 HydrophobicContact CD1-CZ 3.73Å; I37-F70 HydrophobicContact CG1-CD2 4.35Å; I37-F70 HydrophobicContact CG1-CE1 3.97Å; I37-F70 HydrophobicContact CG1-CE2 3.55Å; I37-F70 HydrophobicContact CG1-CZ 3.32Å; L59-F70 HydrophobicContact CD1-CZ 4.43Å; C62-F70 HydrophobicContact CB-CD1 4.25Å; C62-F70 HydrophobicContact CB-CD2 4.37Å; C62-F70 HydrophobicContact CB-CE1 3.56Å; C62-F70 HydrophobicContact CB-CE2 3.72Å; C62-F70 HydrophobicContact CB-CZ 3.26Å; C66-F70 HydrophobicContact CB-CB 3.59Å; C66-F70 HydrophobicContact CB-CD2 4.2Å; C66-F70 HydrophobicContact CB-CG 3.98Å; G67-F70 PolarHBondContact O-N 3.21Å; K68-F70 VanDerWaalsContact C-N 3.35Å; K68-F70 PolarHBondContact O-N 2.67Å; F70-R72 VanDerWaalsContact C-N 3.3Å; F70-R72 PolarHBondContact O-N 3.17Å; F70-E73 WeakPolarHBondContact O-CB 3.36Å; F70-E73 PolarHBondContact O-N 3.17Å; F70-L74 HydrophobicContact CD1-CD1 3.83Å; F70-L74 HydrophobicContact CD1-CG 4.02Å; F70-L74 HydrophobicContact CE1-CD1 3.8Å; F70-L74 HydrophobicContact CE1-CD2 3.95Å; F70-L74 HydrophobicContact CE1-CG 3.94Å; F70-L74 PolarHBondContact O-N 3.35Å
71N94.5Very high93.5Very high14 Ų1448.1 Ų48.18%0.07524%0.238CC..Hα-helixtrans-68-28.4-177.6-62.5-14.2000112.8S63 G67 K68 E73 L74 A75 F109 L115S63-N71 VanDerWaalsContact CA-OD1 3.27Å; S63-N71 WeakPolarHBondContact CA-OD1 3.31Å; S63-N71 WeakPolarHBondContact CB-OD1 3.49Å; S63-N71 PolarHBondContact O-ND2 3.38Å; S63-N71 VanDerWaalsContact O-ND2 3.17Å; S63-N71 PolarHBondContact O-OD1 2.8Å; S63-N71 VanDerWaalsContact O-OD1 3.13Å; S63-N71 PolarHBondContact OG-OD1 2.63Å; G67-N71 PolarHBondContact O-N 3.07Å; K68-N71 PolarHBondContact O-N 3.26Å; N71-E73 VanDerWaalsContact C-N 3.3Å; N71-E73 PolarHBondContact O-N 2.93Å; N71-L74 WeakPolarHBondContact O-CB 3.26Å; N71-L74 PolarHBondContact O-N 3.44Å; N71-A75 WeakPolarHBondContact O-CB 3.1Å; N71-A75 PolarHBondContact O-N 3.09Å; N71-F109 HydrophobicContact CB-CZ 4.29Å; N71-L115 VanDerWaalsContact C-CD2 3.4Å; N71-L115 HydrophobicContact CB-CD1 4.03Å; N71-L115 HydrophobicContact CB-CD2 3.79Å; N71-L115 WeakPolarHBondContact O-CD2 3.46Å
72R93.6Very high93.4Very high107 Ų10751 Ų5140%0.40425%0.253SS..Hα-helixtrans-59.4-36168.4-81.6175.6167.6-173.6-7.2113.3K68 F70 A75 S76 E114 L115K68-R72 HydrophobicContact CG-CG 4.47Å; K68-R72 WeakPolarHBondContact O-CG 3.21Å; K68-R72 PolarHBondContact O-N 3.42Å; F70-R72 VanDerWaalsContact C-N 3.3Å; F70-R72 PolarHBondContact O-N 3.17Å; R72-A75 CarbonylContact O-C 3.5Å; R72-A75 PolarHBondContact O-N 2.99Å; R72-S76 PolarHBondContact O-N 2.97Å; R72-E114 IonicContact CZ-OE1 2.73Å; R72-E114 IonicContact CZ-OE2 2.65Å; R72-E114 IonicContact NE-OE1 3.33Å; R72-E114 IonicContact NE-OE2 3.19Å; R72-E114 PolarHBondContact NE-OE2 2.87Å; R72-E114 IonicContact NH2-OE1 2.98Å; R72-E114 PolarHBondContact NH2-OE1 3.37Å; R72-E114 IonicContact NH2-OE2 3.68Å; R72-E114 PolarHBondContact NH2-OE2 2.8Å; R72-L115 HydrophobicContact CG-CD2 4.46Å
73E94.5Very high93.4Very high53 Ų5351 Ų5125%0.24825%0.253CS..Hα-helixtrans-74.2-34.2175.3-66.7-72.5138.100111.7P33 S34 I37 F70 N71 A75 S76P33-E73 HydrophobicContact CB-CG 3.99Å; P33-E73 HydrophobicContact CG-CG 4.05Å; S34-E73 WeakPolarHBondContact CA-OE2 3.48Å; S34-E73 WeakPolarHBondContact CB-OE2 3.48Å; S34-E73 PolarHBondContact OG-OE2 3.24Å; I37-E73 HydrophobicContact CD1-CB 3.37Å; I37-E73 HydrophobicContact CD1-CG 4.41Å; F70-E73 WeakPolarHBondContact O-CB 3.36Å; F70-E73 PolarHBondContact O-N 3.17Å; N71-E73 VanDerWaalsContact C-N 3.3Å; N71-E73 PolarHBondContact O-N 2.93Å; E73-A75 VanDerWaalsContact C-N 3.27Å; E73-A75 PolarHBondContact O-N 3.01Å; E73-S76 WeakPolarHBondContact O-CB 3.41Å; E73-S76 PolarHBondContact O-N 3.29Å; E73-S76 VanDerWaalsContact O-N 3.09Å; E73-S76 PolarHBondContact O-OG 2.93Å
74L94.3Very high93.5Very high0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-66.4-29.3169.7-60.1176.7000112.4I37 L59 S63 F70 N71 S76 F79 W105I37-L74 HydrophobicContact CD1-CD2 3.78Å; I37-L74 HydrophobicContact CD1-CG 4.13Å; I37-L74 HydrophobicContact CG1-CD2 4.06Å; I37-L74 HydrophobicContact CG2-CD2 4.48Å; L59-L74 HydrophobicContact CD1-CD2 3.85Å; L59-L74 HydrophobicContact CG-CD2 4.34Å; S63-L74 WeakPolarHBondContact OG-CD1 3.28Å; F70-L74 HydrophobicContact CD1-CD1 3.83Å; F70-L74 HydrophobicContact CD1-CG 4.02Å; F70-L74 HydrophobicContact CE1-CD1 3.8Å; F70-L74 HydrophobicContact CE1-CD2 3.95Å; F70-L74 HydrophobicContact CE1-CG 3.94Å; F70-L74 PolarHBondContact O-N 3.35Å; N71-L74 WeakPolarHBondContact O-CB 3.26Å; N71-L74 PolarHBondContact O-N 3.44Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-F79 HydrophobicContact CB-CE1 4.47Å; L74-F79 HydrophobicContact CD2-CD2 4.45Å; L74-F79 HydrophobicContact CD2-CE1 4.2Å; L74-F79 HydrophobicContact CD2-CE2 3.96Å; L74-F79 HydrophobicContact CD2-CZ 3.82Å; L74-F79 WeakPolarHBondContact O-CD1 3.24Å; L74-W105 HydrophobicContact CD1-CH2 3.69Å; L74-W105 HydrophobicContact CD1-CZ2 3.71Å; L74-W105 HydrophobicContact CD1-CZ3 4.34Å; L74-W105 HydrophobicContact CD2-CH2 4.03Å; L74-W105 HydrophobicContact CG-CH2 4.32Å
75A94.7Very high93.6Very high7 Ų758 Ų586%0.05828%0.283CS..THydrogen-bonded Turntrans-85.36.7171.800000113.2N71 R72 E73 E114 L115 L117 A118N71-A75 WeakPolarHBondContact O-CB 3.1Å; N71-A75 PolarHBondContact O-N 3.09Å; R72-A75 CarbonylContact O-C 3.5Å; R72-A75 PolarHBondContact O-N 2.99Å; E73-A75 VanDerWaalsContact C-N 3.27Å; E73-A75 PolarHBondContact O-N 3.01Å; A75-E114 WeakPolarHBondContact CB-O 3.39Å; A75-L115 HydrophobicContact CB-CD2 4.03Å; A75-L117 HydrophobicContact CB-CB 4.46Å; A75-L117 WeakPolarHBondContact O-CB 3.28Å; A75-L117 VanDerWaalsContact O-CD1 3.22Å; A75-L117 WeakPolarHBondContact O-CD1 3.38Å; A75-A118 HydrophobicContact CB-CB 4.12Å
76S95.2Very high93.7Very high29 Ų2957 Ų5720%0.20328%0.277CS..SBendtrans-70.7150.9178.271.30000112.3R72 E73 L74 D78 F79 T80R72-S76 PolarHBondContact O-N 2.97Å; E73-S76 WeakPolarHBondContact O-CB 3.41Å; E73-S76 PolarHBondContact O-N 3.29Å; E73-S76 VanDerWaalsContact O-N 3.09Å; E73-S76 PolarHBondContact O-OG 2.93Å; L74-S76 VanDerWaalsContact C-N 3.27Å; S76-D78 VanDerWaalsContact C-N 3.26Å; S76-D78 PolarHBondContact O-N 3.34Å; S76-F79 WeakPolarHBondContact OG-CB 3.42Å; S76-F79 PolarHBondContact OG-N 3.44Å; S76-F79 VanDerWaalsContact OG-N 3.1Å; S76-T80 WeakPolarHBondContact O-CB 3.32Å; S76-T80 PolarHBondContact O-N 2.93Å; S76-T80 PolarHBondContact O-OG1 3.31Å
77K94.4Very high93.9Very high139 Ų13956.3 Ų56.360%0.60427%0.273SS*.Hα-helixtrans-61-37.2173.4-174.3-179.4177.8-175.20111.6T80 Q81K77-T80 WeakPolarHBondContact O-CB 3.49Å; K77-T80 PolarHBondContact O-N 3.48Å; K77-Q81 WeakPolarHBondContact O-CG 3.38Å; K77-Q81 PolarHBondContact O-N 2.94Å
78D94Very high94Very high121 Ų12159 Ų5965%0.64729%0.287SS*.Hα-helixtrans-71.2-43.6-177-59.8-27000111.5S76 T80 Q81 L82S76-D78 VanDerWaalsContact C-N 3.26Å; S76-D78 PolarHBondContact O-N 3.34Å; D78-T80 VanDerWaalsContact C-N 3.34Å; D78-Q81 PolarHBondContact O-N 2.86Å; D78-L82 VanDerWaalsContact O-CB 3.24Å; D78-L82 WeakPolarHBondContact O-CB 3.45Å; D78-L82 PolarHBondContact O-N 3.29Å
79F95.1Very high94.1Very high7 Ų758.4 Ų58.43%0.03129%0.294CS..Hα-helixtrans-61.4-43.4170179.3-95.5000111.1I37 L59 L74 S76 Q81 L82 I83 W105 F121I37-F79 HydrophobicContact CG2-CD2 3.45Å; I37-F79 VanDerWaalsContact CG2-CD2 3.45Å; I37-F79 HydrophobicContact CG2-CE2 3.79Å; I37-F79 HydrophobicContact CG2-CG 4.48Å; L59-F79 HydrophobicContact CD2-CE2 4.4Å; L59-F79 HydrophobicContact CD2-CZ 4.06Å; L74-F79 HydrophobicContact CB-CE1 4.47Å; L74-F79 HydrophobicContact CD2-CD2 4.45Å; L74-F79 HydrophobicContact CD2-CE1 4.2Å; L74-F79 HydrophobicContact CD2-CE2 3.96Å; L74-F79 HydrophobicContact CD2-CZ 3.82Å; L74-F79 WeakPolarHBondContact O-CD1 3.24Å; S76-F79 WeakPolarHBondContact OG-CB 3.42Å; S76-F79 PolarHBondContact OG-N 3.44Å; S76-F79 VanDerWaalsContact OG-N 3.1Å; F79-Q81 PolarHBondContact O-N 2.95Å; F79-L82 PolarHBondContact O-N 3.12Å; F79-I83 HydrophobicContact CD1-CG1 3.97Å; F79-I83 HydrophobicContact CD2-CG1 4.37Å; F79-I83 HydrophobicContact CE1-CD1 4.15Å; F79-I83 HydrophobicContact CE1-CG1 3.59Å; F79-I83 HydrophobicContact CE2-CD1 3.98Å; F79-I83 HydrophobicContact CE2-CG1 4.02Å; F79-I83 HydrophobicContact CG-CG1 4.36Å; F79-I83 HydrophobicContact CZ-CD1 3.65Å; F79-I83 HydrophobicContact CZ-CG1 3.61Å; F79-I83 WeakPolarHBondContact O-CG1 3.2Å; F79-I83 PolarHBondContact O-N 3.44Å; F79-W105 HydrophobicContact CE1-CZ3 4.27Å; F79-W105 HydrophobicContact CZ-CH2 4.48Å; F79-W105 HydrophobicContact CZ-CZ3 4.45Å; F79-F121 AromaticContact CD1-CE2 3.91Å; F79-F121 HydrophobicContact CD1-CE2 3.91Å; F79-F121 AromaticContact CD1-CZ 3.66Å; F79-F121 HydrophobicContact CD1-CZ 3.66Å; F79-F121 AromaticContact CE1-CE2 3.61Å; F79-F121 HydrophobicContact CE1-CE2 3.61Å; F79-F121 AromaticContact CE1-CZ 3.63Å; F79-F121 HydrophobicContact CE1-CZ 3.63Å
80T94.3Very high94.2Very high14 Ų1454.3 Ų54.39%0.08628%0.275CS..Hα-helixtrans-57.4-47.7176.2-56.30000112S76 K77 D78 K84 F121S76-T80 WeakPolarHBondContact O-CB 3.32Å; S76-T80 PolarHBondContact O-N 2.93Å; S76-T80 PolarHBondContact O-OG1 3.31Å; K77-T80 WeakPolarHBondContact O-CB 3.49Å; K77-T80 PolarHBondContact O-N 3.48Å; D78-T80 VanDerWaalsContact C-N 3.34Å; T80-K84 HydrophobicContact CG2-CD 4.27Å; T80-K84 WeakPolarHBondContact O-CB 3.42Å; T80-K84 VanDerWaalsContact O-CG 3.27Å; T80-K84 WeakPolarHBondContact O-CG 3.48Å; T80-K84 PolarHBondContact O-N 2.99Å; T80-F121 HydrophobicContact CG2-CE1 4.05Å; T80-F121 HydrophobicContact CG2-CZ 4.28Å
81Q94.6Very high94Very high111 Ų11159.9 Ų59.952%0.51930%0.301SS..Hα-helixtrans-68.7-37.1177.6-72.1-174.3-2100112.4K77 D78 F79 K84 K85K77-Q81 WeakPolarHBondContact O-CG 3.38Å; K77-Q81 PolarHBondContact O-N 2.94Å; D78-Q81 PolarHBondContact O-N 2.86Å; F79-Q81 PolarHBondContact O-N 2.95Å; Q81-K84 PolarHBondContact O-N 2.74Å; Q81-K85 WeakPolarHBondContact O-CB 3.37Å; Q81-K85 PolarHBondContact O-N 3.33Å
82L94.9Very high93.9Very high67 Ų6766.9 Ų66.935%0.35133%0.326SS..Hα-helixtrans-62.6-46176.2-177.267.3000111.8C41 F45 D78 F79 N86C41-L82 HydrophobicContact CB-CD2 3.73Å; F45-L82 HydrophobicContact CE2-CG 4.38Å; D78-L82 VanDerWaalsContact O-CB 3.24Å; D78-L82 WeakPolarHBondContact O-CB 3.45Å; D78-L82 PolarHBondContact O-N 3.29Å; F79-L82 PolarHBondContact O-N 3.12Å; L82-N86 PolarHBondContact O-N 3.02Å; L82-N86 PolarHBondContact O-ND2 2.97Å
83I95.2Very high93.8Very high0 Ų066.7 Ų66.70%033%0.332CS..Hα-helixtrans-60.6-57.2174.1-67.9-67.4000109.8F45 F79 K85 N86 F87 F102 F121 W124F45-I83 HydrophobicContact CZ-CD1 4.08Å; F79-I83 HydrophobicContact CD1-CG1 3.97Å; F79-I83 HydrophobicContact CD2-CG1 4.37Å; F79-I83 HydrophobicContact CE1-CD1 4.15Å; F79-I83 HydrophobicContact CE1-CG1 3.59Å; F79-I83 HydrophobicContact CE2-CD1 3.98Å; F79-I83 HydrophobicContact CE2-CG1 4.02Å; F79-I83 HydrophobicContact CG-CG1 4.36Å; F79-I83 HydrophobicContact CZ-CD1 3.65Å; F79-I83 HydrophobicContact CZ-CG1 3.61Å; F79-I83 WeakPolarHBondContact O-CG1 3.2Å; F79-I83 PolarHBondContact O-N 3.44Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.41Å; I83-N86 PolarHBondContact O-N 3.44Å; I83-N86 VanDerWaalsContact O-N 3.13Å; I83-F87 WeakPolarHBondContact O-CB 3.44Å; I83-F87 PolarHBondContact O-N 2.73Å; I83-F102 HydrophobicContact CD1-CZ 4.42Å; I83-F102 HydrophobicContact CG2-CE2 4.14Å; I83-F102 HydrophobicContact CG2-CZ 3.67Å; I83-F121 HydrophobicContact CB-CE1 3.85Å; I83-F121 HydrophobicContact CB-CZ 4.27Å; I83-F121 HydrophobicContact CG1-CE1 4.23Å; I83-F121 HydrophobicContact CG1-CZ 4.17Å; I83-F121 HydrophobicContact CG2-CD1 4.07Å; I83-F121 HydrophobicContact CG2-CE1 3.69Å; I83-F121 HydrophobicContact CG2-CZ 4.44Å; I83-W124 HydrophobicContact CG2-CZ3 4.2Å
84K94.7Very high93.8Very high73 Ų7364.2 Ų64.232%0.31732%0.321SS..Hα-helixtrans-61.6-34.5-173.9-66.3-167.2-178.3-1570113.3T80 Q81 W124T80-K84 HydrophobicContact CG2-CD 4.27Å; T80-K84 WeakPolarHBondContact O-CB 3.42Å; T80-K84 VanDerWaalsContact O-CG 3.27Å; T80-K84 WeakPolarHBondContact O-CG 3.48Å; T80-K84 PolarHBondContact O-N 2.99Å; Q81-K84 PolarHBondContact O-N 2.74Å; K84-W124 HydrophobicContact CB-CH2 4.12Å; K84-W124 HydrophobicContact CB-CZ2 3.85Å; K84-W124 HydrophobicContact CD-CD2 3.8Å; K84-W124 HydrophobicContact CD-CE3 4.37Å; K84-W124 HydrophobicContact CD-CG 4.13Å; K84-W124 HydrophobicContact CD-CZ2 4.1Å; K84-W124 VanDerWaalsContact CE-CD2 3.41Å; K84-W124 VanDerWaalsContact CE-CG 3.44Å; K84-W124 HydrophobicContact CG-CD2 3.84Å; K84-W124 HydrophobicContact CG-CE3 3.97Å; K84-W124 HydrophobicContact CG-CH2 3.76Å; K84-W124 HydrophobicContact CG-CZ2 3.58Å; K84-W124 HydrophobicContact CG-CZ3 3.93Å
85K94.8Very high93.9Very high166 Ų16664.3 Ų64.372%0.72232%0.322SS*.Hα-helixtrans-68.6-33.6177.2177.1173.1176.9175.80113.7Q81 I83Q81-K85 WeakPolarHBondContact O-CB 3.37Å; Q81-K85 PolarHBondContact O-N 3.33Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.41Å
86N94.5Very high93.8Very high45 Ų4564.4 Ų64.424%0.24132%0.321CS..Hα-helixtrans-113.1-4.8-169.4-59.6-85.4000113.8F45 L82 I83 S88 S89F45-N86 HydrophobicContact CD1-CB 3.35Å; F45-N86 HydrophobicContact CD2-CB 4.2Å; F45-N86 HydrophobicContact CE1-CB 3.3Å; F45-N86 WeakPolarHBondContact CE1-O 3.31Å; F45-N86 HydrophobicContact CE2-CB 4.15Å; F45-N86 HydrophobicContact CG-CB 3.85Å; F45-N86 HydrophobicContact CZ-CB 3.74Å; L82-N86 PolarHBondContact O-N 3.02Å; L82-N86 PolarHBondContact O-ND2 2.97Å; I83-N86 PolarHBondContact O-N 3.44Å; I83-N86 VanDerWaalsContact O-N 3.13Å; N86-S88 PolarHBondContact O-N 3.05Å; N86-S89 PolarHBondContact O-N 2.67Å; N86-S89 PolarHBondContact O-OG 2.79Å
87F94.4Very high93.8Very high2 Ų265.4 Ų65.41%0.00932%0.322CS..G310 helixtrans-56.6-37.5179-171.3-89.3000112.8I83 S89 L90 L98 I99 F102 W124 V125 Y129 L132I83-F87 WeakPolarHBondContact O-CB 3.44Å; I83-F87 PolarHBondContact O-N 2.73Å; F87-S89 PolarHBondContact O-N 2.87Å; F87-S89 VanDerWaalsContact O-N 3.17Å; F87-L90 PolarHBondContact O-N 2.89Å; F87-L98 HydrophobicContact CD2-CD2 3.98Å; F87-L98 HydrophobicContact CE2-CD2 4.01Å; F87-L98 HydrophobicContact CE2-CG 4.42Å; F87-I99 HydrophobicContact CE2-CG1 4.41Å; F87-I99 HydrophobicContact CZ-CD1 4.1Å; F87-I99 HydrophobicContact CZ-CG1 3.9Å; F87-F102 HydrophobicContact CD2-CE2 4.42Å; F87-F102 HydrophobicContact CE2-CE2 4.18Å; F87-W124 HydrophobicContact CB-CH2 3.83Å; F87-W124 HydrophobicContact CD1-CH2 4.38Å; F87-W124 HydrophobicContact CD2-CH2 4.41Å; F87-W124 HydrophobicContact CD2-CZ3 4.39Å; F87-W124 AromaticContact CG-CH2 3.97Å; F87-W124 HydrophobicContact CG-CH2 3.97Å; F87-W124 HydrophobicContact CG-CZ3 4.39Å; F87-V125 HydrophobicContact CE1-CG1 4.44Å; F87-V125 HydrophobicContact CE2-CG2 4.19Å; F87-V125 HydrophobicContact CZ-CG1 4.07Å; F87-V125 HydrophobicContact CZ-CG2 4.15Å; F87-Y129 AromaticContact CD1-CD2 3.7Å; F87-Y129 HydrophobicContact CD1-CD2 3.7Å; F87-Y129 HydrophobicContact CD1-CE1 4.32Å; F87-Y129 AromaticContact CD1-CE2 3.38Å; F87-Y129 HydrophobicContact CD1-CE2 3.38Å; F87-Y129 HydrophobicContact CD1-CG 4.32Å; F87-Y129 AromaticContact CD1-CZ 3.73Å; F87-Y129 HydrophobicContact CE1-CD1 4.45Å; F87-Y129 AromaticContact CE1-CD2 3.56Å; F87-Y129 HydrophobicContact CE1-CD2 3.56Å; F87-Y129 AromaticContact CE1-CE2 3.78Å; F87-Y129 HydrophobicContact CE1-CE2 3.78Å; F87-Y129 AromaticContact CE1-CG 3.94Å; F87-Y129 HydrophobicContact CE1-CG 3.94Å; F87-Y129 HydrophobicContact CG-CE2 4.3Å; F87-L132 HydrophobicContact CE1-CD2 4.44Å
88S91.6Very high93.8Very high90 Ų9058.8 Ų58.863%0.62929%0.293SS*.G310 helixtrans-68-7.3178.1530000115.1N86N86-S88 PolarHBondContact O-N 3.05Å
89S92.2Very high93.9Very high74 Ų7453.1 Ų53.152%0.51726%0.263SS..G310 helixtrans-101.7-0.6173.571.10000114.1N86 F87N86-S89 PolarHBondContact O-N 2.67Å; N86-S89 PolarHBondContact O-OG 2.79Å; F87-S89 PolarHBondContact O-N 2.87Å; F87-S89 VanDerWaalsContact O-N 3.17Å
90L92.3Very high93.8Very high21 Ų2155.1 Ų55.111%0.1127%0.272CS..SBendtrans-72143.3172.7-93.358.7000111.4I44 F45 F87 P94 S95 L98I44-L90 HydrophobicContact CG2-CD2 4.41Å; F45-L90 HydrophobicContact CD1-CD1 3.23Å; F45-L90 HydrophobicContact CE1-CD1 3.34Å; F45-L90 HydrophobicContact CG-CD1 4.41Å; F87-L90 PolarHBondContact O-N 2.89Å; L90-P94 HydrophobicContact CB-CB 4.35Å; L90-P94 HydrophobicContact CD2-CB 4.06Å; L90-P94 HydrophobicContact CG-CB 4.03Å; L90-S95 WeakPolarHBondContact CB-OG 3.45Å; L90-L98 HydrophobicContact CD2-CD2 3.76Å
91Q90.6Very high93.8Very high117 Ų11754.7 Ų54.755%0.54727%0.269SS..  trans-69.8152.9166.3-59.7-59.6-51.300110.4P49 I93 P94 S95P49-Q91 HydrophobicContact CB-CB 4.4Å; Q91-I93 PolarHBondContact O-N 3.07Å; Q91-I93 VanDerWaalsContact O-N 3.17Å; Q91-P94 HydrophobicContact CB-CG 4.14Å; Q91-P94 WeakPolarHBondContact O-CD 3.44Å; Q91-S95 PolarHBondContact O-N 3.03Å; Q91-S95 PolarHBondContact O-OG 3.3Å
92R92.1Very high93.9Very high161 Ų16149.4 Ų49.461%0.60825%0.245SC*.Hα-helixtrans-39.9-55.2-177.7176.1-178.6-90.5-142.210.2114.2S95 I96 Q135R92-S95 WeakPolarHBondContact O-CB 3.16Å; R92-S95 PolarHBondContact O-N 3.32Å; R92-I96 HydrophobicContact CG-CD1 3.98Å; R92-I96 WeakPolarHBondContact O-CG1 3.41Å; R92-I96 PolarHBondContact O-N 2.93Å; R92-Q135 VanDerWaalsContact CD-NE2 3.25Å; R92-Q135 VanDerWaalsContact CZ-OE1 3.25Å
93I91.9Very high93.9Very high103 Ų10348.5 Ų48.553%0.52824%0.238SC..Hα-helixtrans-68.2-48.7-174.2-50.6170.3000111.9I53 Q91 S95 I96 K97I53-I93 HydrophobicContact CD1-CB 4.19Å; I53-I93 HydrophobicContact CD1-CG2 3.64Å; I53-I93 HydrophobicContact CG1-CG2 4.43Å; Q91-I93 PolarHBondContact O-N 3.07Å; Q91-I93 VanDerWaalsContact O-N 3.17Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 3.23Å; I93-I96 PolarHBondContact O-N 2.8Å; I93-K97 PolarHBondContact O-N 3.47Å; I93-K97 VanDerWaalsContact O-N 3.09Å
94P94.9Very high93.8Very high1 Ų152.2 Ų52.21%0.00625%0.254CS..Hα-helixtrans-50.5-44.7165.9-29.631.9000114.8P49 I53 I56 L90 Q91 L98P49-P94 HydrophobicContact CB-CG 3.78Å; I53-P94 HydrophobicContact CG1-CG 4.12Å; I56-P94 HydrophobicContact CD1-CB 4.03Å; I56-P94 WeakPolarHBondContact CD1-O 3.47Å; L90-P94 HydrophobicContact CB-CB 4.35Å; L90-P94 HydrophobicContact CD2-CB 4.06Å; L90-P94 HydrophobicContact CG-CB 4.03Å; Q91-P94 HydrophobicContact CB-CG 4.14Å; Q91-P94 WeakPolarHBondContact O-CD 3.44Å; P94-L98 WeakPolarHBondContact O-CB 3.48Å; P94-L98 PolarHBondContact O-N 3.2Å
95S94.9Very high93.8Very high3 Ų348.7 Ų48.72%0.02124%0.239CC..Hα-helixtrans-61.1-49.1179.9-59.30000111.5L90 Q91 R92 I93 K97 L98 I99L90-S95 WeakPolarHBondContact CB-OG 3.45Å; Q91-S95 PolarHBondContact O-N 3.03Å; Q91-S95 PolarHBondContact O-OG 3.3Å; R92-S95 WeakPolarHBondContact O-CB 3.16Å; R92-S95 PolarHBondContact O-N 3.32Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 3.23Å; S95-K97 PolarHBondContact O-N 3.11Å; S95-L98 PolarHBondContact O-N 3.1Å; S95-L98 VanDerWaalsContact O-N 3.17Å; S95-I99 VanDerWaalsContact O-CG1 3.29Å; S95-I99 WeakPolarHBondContact O-CG1 3.47Å; S95-I99 PolarHBondContact O-N 3.36Å
96I94.1Very high93.8Very high9 Ų941.9 Ų41.95%0.04621%0.212CC..Hα-helixtrans-58.9-50179.6-71.9169.3000111R92 I93 L98 I99 E100 Q135 A136 E139R92-I96 HydrophobicContact CG-CD1 3.98Å; R92-I96 WeakPolarHBondContact O-CG1 3.41Å; R92-I96 PolarHBondContact O-N 2.93Å; I93-I96 PolarHBondContact O-N 2.8Å; I96-L98 PolarHBondContact O-N 3.04Å; I96-I99 WeakPolarHBondContact O-CB 3.27Å; I96-I99 PolarHBondContact O-N 2.87Å; I96-I99 VanDerWaalsContact O-N 3.09Å; I96-E100 WeakPolarHBondContact O-CG 3.15Å; I96-E100 PolarHBondContact O-N 3Å; I96-Q135 HydrophobicContact CD1-CB 4.28Å; I96-Q135 HydrophobicContact CD1-CG 3.95Å; I96-A136 HydrophobicContact CB-CB 4.45Å; I96-A136 HydrophobicContact CG1-CB 4.35Å; I96-A136 HydrophobicContact CG2-CB 3.82Å; I96-E139 VanDerWaalsContact CD1-OE1 3.31Å; I96-E139 WeakPolarHBondContact CD1-OE1 3.36Å
97K94.2Very high93.7Very high49 Ų4945.3 Ų45.321%0.21323%0.227CC..Hα-helixtrans-61.4-31.8178.4-167178.3178.7-178.10112.9I53 I56 T57 I93 S95 I101I53-K97 HydrophobicContact CG2-CD 3.89Å; I53-K97 PolarHBondContact O-NZ 2.98Å; I56-K97 HydrophobicContact CG2-CB 4.32Å; I56-K97 HydrophobicContact CG2-CD 4.02Å; I56-K97 HydrophobicContact CG2-CG 3.83Å; T57-K97 PolarHBondContact OG1-NZ 3.15Å; I93-K97 PolarHBondContact O-N 3.47Å; I93-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact O-N 3.11Å; K97-I101 WeakPolarHBondContact O-CD1 3.48Å; K97-I101 PolarHBondContact O-N 2.72Å
98L95.3Very high93.6Very high0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-73.7-37.7175.4-173.259000112.1I56 F87 L90 P94 S95 I96 E100 I101 F102I56-L98 HydrophobicContact CD1-CB 4.21Å; F87-L98 HydrophobicContact CD2-CD2 3.98Å; F87-L98 HydrophobicContact CE2-CD2 4.01Å; F87-L98 HydrophobicContact CE2-CG 4.42Å; L90-L98 HydrophobicContact CD2-CD2 3.76Å; P94-L98 WeakPolarHBondContact O-CB 3.48Å; P94-L98 PolarHBondContact O-N 3.2Å; S95-L98 PolarHBondContact O-N 3.1Å; S95-L98 VanDerWaalsContact O-N 3.17Å; I96-L98 PolarHBondContact O-N 3.04Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 2.71Å; L98-I101 PolarHBondContact O-N 2.67Å; L98-F102 HydrophobicContact CD1-CD1 4.46Å; L98-F102 HydrophobicContact CD1-CE1 3.75Å; L98-F102 HydrophobicContact CD1-CE2 4.24Å; L98-F102 HydrophobicContact CD1-CZ 3.62Å; L98-F102 HydrophobicContact CD2-CE2 4.08Å; L98-F102 HydrophobicContact CD2-CZ 3.86Å; L98-F102 HydrophobicContact CG-CD2 4.35Å; L98-F102 HydrophobicContact CG-CE1 4.12Å; L98-F102 HydrophobicContact CG-CE2 3.67Å; L98-F102 HydrophobicContact CG-CZ 3.52Å; L98-F102 WeakPolarHBondContact O-CG 3.48Å; L98-F102 PolarHBondContact O-N 2.89Å
99I95.3Very high93.6Very high3 Ų345.9 Ų45.92%0.01522%0.22CC..Hα-helixtrans-59.6-44172-66.3170.9000110.6F87 S95 I96 I101 F102 E103 Y122 V125 L132 V133 A136F87-I99 HydrophobicContact CE2-CG1 4.41Å; F87-I99 HydrophobicContact CZ-CD1 4.1Å; F87-I99 HydrophobicContact CZ-CG1 3.9Å; S95-I99 VanDerWaalsContact O-CG1 3.29Å; S95-I99 WeakPolarHBondContact O-CG1 3.47Å; S95-I99 PolarHBondContact O-N 3.36Å; I96-I99 WeakPolarHBondContact O-CB 3.27Å; I96-I99 PolarHBondContact O-N 2.87Å; I96-I99 VanDerWaalsContact O-N 3.09Å; I99-I101 PolarHBondContact O-N 2.99Å; I99-F102 PolarHBondContact O-N 3.3Å; I99-E103 PolarHBondContact O-N 3.46Å; I99-Y122 HydrophobicContact CG2-CD2 4.44Å; I99-Y122 HydrophobicContact CG2-CE2 4.27Å; I99-V125 HydrophobicContact CD1-CG1 3.63Å; I99-V125 HydrophobicContact CG1-CG1 3.57Å; I99-L132 HydrophobicContact CD1-CB 3.82Å; I99-V133 HydrophobicContact CD1-CG2 4.17Å; I99-V133 HydrophobicContact CG2-CG2 4.08Å; I99-A136 HydrophobicContact CG2-CB 4.24Å
100E93.9Very high93.5Very high48 Ų4848.3 Ų48.322%0.22422%0.221CC..Hα-helixtrans-58-33.3177.2-65.7-154.196.700113.8I96 L98 K104 R140I96-E100 WeakPolarHBondContact O-CG 3.15Å; I96-E100 PolarHBondContact O-N 3Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 2.71Å; E100-K104 VanDerWaalsContact O-CD 3.27Å; E100-K104 WeakPolarHBondContact O-CD 3.45Å; E100-K104 WeakPolarHBondContact O-CE 3.2Å; E100-K104 VanDerWaalsContact O-CG 3.25Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 2.91Å; E100-R140 IonicContact OE1-CZ 2.74Å; E100-R140 VanDerWaalsContact OE1-CZ 3.28Å; E100-R140 IonicContact OE1-NE 3.77Å; E100-R140 PolarHBondContact OE1-NE 2.89Å; E100-R140 IonicContact OE1-NH2 2.79Å; E100-R140 PolarHBondContact OE1-NH2 2.87Å
101I94.7Very high93.5Very high6 Ų654.6 Ų54.63%0.03125%0.254CS..Hα-helixtrans-79.2-40.3179-72.9157.8000110.3I56 D60 K97 L98 I99 E103 K104 W105I56-I101 HydrophobicContact CG2-CD1 3.27Å; D60-I101 HydrophobicContact CB-CD1 3.86Å; D60-I101 HydrophobicContact CB-CG1 4.11Å; D60-I101 HydrophobicContact CB-CG2 4.48Å; K97-I101 WeakPolarHBondContact O-CD1 3.48Å; K97-I101 PolarHBondContact O-N 2.72Å; L98-I101 PolarHBondContact O-N 2.67Å; I99-I101 PolarHBondContact O-N 2.99Å; I101-E103 VanDerWaalsContact C-N 3.3Å; I101-E103 PolarHBondContact O-N 3.49Å; I101-K104 PolarHBondContact O-N 3.15Å; I101-W105 HydrophobicContact CG2-CD2 3.86Å; I101-W105 HydrophobicContact CG2-CE3 4.44Å; I101-W105 HydrophobicContact CG2-CG 4.32Å; I101-W105 HydrophobicContact CG2-CH2 4.18Å; I101-W105 HydrophobicContact CG2-CZ2 3.57Å; I101-W105 WeakPolarHBondContact O-CB 3.38Å; I101-W105 VanDerWaalsContact O-CG 3.3Å; I101-W105 PolarHBondContact O-N 3.47Å
102F95.9Very high93.6Very high0 Ų051 Ų510%024%0.239CC..Hα-helixtrans-62.1-37.5174.6-64.2-24.9000112.7I83 F87 L98 I99 W105 S106 F121 V125I83-F102 HydrophobicContact CD1-CZ 4.42Å; I83-F102 HydrophobicContact CG2-CE2 4.14Å; I83-F102 HydrophobicContact CG2-CZ 3.67Å; F87-F102 HydrophobicContact CD2-CE2 4.42Å; F87-F102 HydrophobicContact CE2-CE2 4.18Å; L98-F102 HydrophobicContact CD1-CD1 4.46Å; L98-F102 HydrophobicContact CD1-CE1 3.75Å; L98-F102 HydrophobicContact CD1-CE2 4.24Å; L98-F102 HydrophobicContact CD1-CZ 3.62Å; L98-F102 HydrophobicContact CD2-CE2 4.08Å; L98-F102 HydrophobicContact CD2-CZ 3.86Å; L98-F102 HydrophobicContact CG-CD2 4.35Å; L98-F102 HydrophobicContact CG-CE1 4.12Å; L98-F102 HydrophobicContact CG-CE2 3.67Å; L98-F102 HydrophobicContact CG-CZ 3.52Å; L98-F102 WeakPolarHBondContact O-CG 3.48Å; L98-F102 PolarHBondContact O-N 2.89Å; I99-F102 PolarHBondContact O-N 3.3Å; F102-W105 AromaticContact CD1-CE3 3.86Å; F102-W105 HydrophobicContact CD1-CE3 3.86Å; F102-W105 AromaticContact CD1-CZ3 4Å; F102-W105 HydrophobicContact CD1-CZ3 4Å; F102-W105 HydrophobicContact CE1-CE3 4.26Å; F102-W105 AromaticContact CE1-CZ3 3.92Å; F102-W105 HydrophobicContact CE1-CZ3 3.92Å; F102-W105 PolarHBondContact O-N 3.22Å; F102-S106 WeakPolarHBondContact O-CB 3.46Å; F102-S106 PolarHBondContact O-N 2.93Å; F102-F121 HydrophobicContact CB-CB 3.82Å; F102-F121 HydrophobicContact CD1-CB 3.67Å; F102-F121 HydrophobicContact CD1-CD2 4Å; F102-F121 AromaticContact CD1-CG 3.95Å; F102-F121 HydrophobicContact CD1-CG 3.95Å; F102-F121 HydrophobicContact CD2-CB 3.79Å; F102-F121 HydrophobicContact CD2-CG 4.45Å; F102-F121 HydrophobicContact CE1-CB 4.11Å; F102-F121 HydrophobicContact CE1-CD1 4.42Å; F102-F121 AromaticContact CE1-CD2 3.94Å; F102-F121 HydrophobicContact CE1-CD2 3.94Å; F102-F121 HydrophobicContact CE1-CE2 4.49Å; F102-F121 AromaticContact CE1-CG 3.93Å; F102-F121 HydrophobicContact CE1-CG 3.93Å; F102-F121 HydrophobicContact CE2-CB 4.21Å; F102-F121 HydrophobicContact CE2-CD1 4.45Å; F102-F121 HydrophobicContact CE2-CG 4.41Å; F102-F121 HydrophobicContact CG-CB 3.49Å; F102-F121 VanDerWaalsContact CG-CB 3.49Å; F102-F121 HydrophobicContact CG-CG 4.23Å; F102-F121 HydrophobicContact CZ-CB 4.37Å; F102-F121 HydrophobicContact CZ-CD1 4.24Å; F102-F121 HydrophobicContact CZ-CG 4.17Å; F102-V125 HydrophobicContact CD2-CG2 3.89Å; F102-V125 HydrophobicContact CE2-CG2 4.16Å
103E94.7Very high93.5Very high47 Ų4748.6 Ų48.622%0.2225%0.247CC..Hα-helixtrans-61.8-49172.9-173.4-172.6-164.400111.4I99 I101 W105 S106 E107 Y122 R140I99-E103 PolarHBondContact O-N 3.46Å; I101-E103 VanDerWaalsContact C-N 3.3Å; I101-E103 PolarHBondContact O-N 3.49Å; E103-W105 PolarHBondContact O-N 2.74Å; E103-S106 WeakPolarHBondContact O-CB 3.29Å; E103-S106 PolarHBondContact O-N 3.13Å; E103-S106 VanDerWaalsContact O-N 3.09Å; E103-S106 PolarHBondContact O-OG 2.99Å; E103-E107 PolarHBondContact O-N 3.39Å; E103-Y122 HydrophobicContact CB-CD2 3.66Å; E103-Y122 HydrophobicContact CB-CE2 3.75Å; E103-Y122 HydrophobicContact CB-CG 4.1Å; E103-Y122 HydrophobicContact CG-CD1 4.43Å; E103-Y122 HydrophobicContact CG-CD2 4.19Å; E103-Y122 HydrophobicContact CG-CE1 4.11Å; E103-Y122 HydrophobicContact CG-CE2 3.88Å; E103-Y122 HydrophobicContact CG-CG 4.46Å; E103-R140 VanDerWaalsContact CD-NH1 3.28Å; E103-R140 IonicContact OE1-NH1 2.81Å; E103-R140 PolarHBondContact OE1-NH1 3.15Å; E103-R140 IonicContact OE2-CZ 3.18Å; E103-R140 IonicContact OE2-NH1 2.98Å; E103-R140 PolarHBondContact OE2-NH1 3.21Å; E103-R140 IonicContact OE2-NH2 3.98Å; E103-R140 PolarHBondContact OE2-NH2 2.88Å
104K93.4Very high93.5Very high78 Ų7847.9 Ų47.934%0.33924%0.242SC..Hα-helixtrans-57.9-46.2174.8-69.5161.2-168.4163.10111.3E100 I101 S106 E107 E108E100-K104 VanDerWaalsContact O-CD 3.27Å; E100-K104 WeakPolarHBondContact O-CD 3.45Å; E100-K104 WeakPolarHBondContact O-CE 3.2Å; E100-K104 VanDerWaalsContact O-CG 3.25Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 2.91Å; I101-K104 PolarHBondContact O-N 3.15Å; K104-S106 VanDerWaalsContact C-N 3.31Å; K104-S106 PolarHBondContact O-N 3.38Å; K104-E107 PolarHBondContact O-N 3.09Å; K104-E107 VanDerWaalsContact O-N 3.13Å; K104-E108 WeakPolarHBondContact O-CB 3.15Å; K104-E108 WeakPolarHBondContact O-CG 3.43Å; K104-E108 PolarHBondContact O-N 3.24Å
105W94.7Very high93.5Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-62.9-32.7175-69.3-4.4000113.2L59 L74 F79 I101 F102 E103 E107 F109 F121L59-W105 HydrophobicContact CD2-CH2 3.83Å; L59-W105 HydrophobicContact CD2-CZ2 4.46Å; L59-W105 HydrophobicContact CG-CH2 4.21Å; L59-W105 HydrophobicContact CG-CZ2 4.46Å; L74-W105 HydrophobicContact CD1-CH2 3.69Å; L74-W105 HydrophobicContact CD1-CZ2 3.71Å; L74-W105 HydrophobicContact CD1-CZ3 4.34Å; L74-W105 HydrophobicContact CD2-CH2 4.03Å; L74-W105 HydrophobicContact CG-CH2 4.32Å; F79-W105 HydrophobicContact CE1-CZ3 4.27Å; F79-W105 HydrophobicContact CZ-CH2 4.48Å; F79-W105 HydrophobicContact CZ-CZ3 4.45Å; I101-W105 HydrophobicContact CG2-CD2 3.86Å; I101-W105 HydrophobicContact CG2-CE3 4.44Å; I101-W105 HydrophobicContact CG2-CG 4.32Å; I101-W105 HydrophobicContact CG2-CH2 4.18Å; I101-W105 HydrophobicContact CG2-CZ2 3.57Å; I101-W105 WeakPolarHBondContact O-CB 3.38Å; I101-W105 VanDerWaalsContact O-CG 3.3Å; I101-W105 PolarHBondContact O-N 3.47Å; F102-W105 AromaticContact CD1-CE3 3.86Å; F102-W105 HydrophobicContact CD1-CE3 3.86Å; F102-W105 AromaticContact CD1-CZ3 4Å; F102-W105 HydrophobicContact CD1-CZ3 4Å; F102-W105 HydrophobicContact CE1-CE3 4.26Å; F102-W105 AromaticContact CE1-CZ3 3.92Å; F102-W105 HydrophobicContact CE1-CZ3 3.92Å; F102-W105 PolarHBondContact O-N 3.22Å; E103-W105 PolarHBondContact O-N 2.74Å; W105-E107 VanDerWaalsContact C-N 3.27Å; W105-E107 PolarHBondContact O-N 3.24Å; W105-F109 HydrophobicContact CB-CD2 3.73Å; W105-F109 HydrophobicContact CB-CE2 3.61Å; W105-F109 HydrophobicContact CB-CZ 4.4Å; W105-F109 AromaticContact CD1-CE2 3.77Å; W105-F109 AromaticContact CD1-CZ 3.8Å; W105-F109 AromaticContact CD2-CE2 3.82Å; W105-F109 HydrophobicContact CD2-CE2 3.82Å; W105-F109 HydrophobicContact CD2-CZ 4.44Å; W105-F109 HydrophobicContact CE3-CE2 4.37Å; W105-F109 HydrophobicContact CG-CD2 4.11Å; W105-F109 AromaticContact CG-CE2 3.45Å; W105-F109 HydrophobicContact CG-CE2 3.45Å; W105-F109 VanDerWaalsContact CG-CE2 3.45Å; W105-F109 AromaticContact CG-CZ 3.98Å; W105-F109 HydrophobicContact CG-CZ 3.98Å; W105-F109 WeakPolarHBondContact O-CB 3.35Å; W105-F109 WeakPolarHBondContact O-CD2 3.19Å; W105-F109 WeakPolarHBondContact O-CG 3.46Å; W105-F109 PolarHBondContact O-N 3.48Å; W105-F121 HydrophobicContact CE3-CD2 4.35Å; W105-F121 HydrophobicContact CZ3-CD2 4.44Å
106S93.6Very high93.4Very high22 Ų2250.6 Ų50.615%0.15426%0.263CS..Hα-helixtrans-66-31174.877.20000112.5F102 E103 K104 K110 A119F102-S106 WeakPolarHBondContact O-CB 3.46Å; F102-S106 PolarHBondContact O-N 2.93Å; E103-S106 WeakPolarHBondContact O-CB 3.29Å; E103-S106 PolarHBondContact O-N 3.13Å; E103-S106 VanDerWaalsContact O-N 3.09Å; E103-S106 PolarHBondContact O-OG 2.99Å; K104-S106 VanDerWaalsContact C-N 3.31Å; K104-S106 PolarHBondContact O-N 3.38Å; S106-K110 WeakPolarHBondContact O-CB 3.47Å; S106-A119 WeakPolarHBondContact CB-O 3.2Å
107E93Very high93.4Very high117 Ų11754 Ų5455%0.54728%0.281SS..Hα-helixtrans-85.4-39.4174.3-72.1-64.8159.300113.3E103 K104 W105 K110E103-E107 PolarHBondContact O-N 3.39Å; K104-E107 PolarHBondContact O-N 3.09Å; K104-E107 VanDerWaalsContact O-N 3.13Å; W105-E107 VanDerWaalsContact C-N 3.27Å; W105-E107 PolarHBondContact O-N 3.24Å; E107-K110 WeakPolarHBondContact O-CD 3.49Å; E107-K110 VanDerWaalsContact O-CE 3.23Å; E107-K110 WeakPolarHBondContact O-CE 3.45Å; E107-K110 WeakPolarHBondContact O-CG 3.31Å; E107-K110 IonicContact OE2-NZ 2.63Å; E107-K110 PolarHBondContact OE2-NZ 3.43Å
108E92.1Very high93.3Very high93 Ų9351.7 Ų51.744%0.43527%0.271SS..Hα-helixtrans-69.5-36179.3-72.4175.1-153.300112.1K64 K104K64-E108 WeakPolarHBondContact CE-OE1 3.34Å; K64-E108 IonicContact NZ-OE1 2.86Å; K64-E108 PolarHBondContact NZ-OE1 3.04Å; K104-E108 WeakPolarHBondContact O-CB 3.15Å; K104-E108 WeakPolarHBondContact O-CG 3.43Å; K104-E108 PolarHBondContact O-N 3.24Å
109F92.9Very high93.3Very high12 Ų1252.5 Ų52.55%0.05328%0.277CS..SBendtrans-104.5-3.1-171.7-55.4-24.8000115.3N71 W105 N111 D112 L115 A118 A119N71-F109 HydrophobicContact CB-CZ 4.29Å; W105-F109 HydrophobicContact CB-CD2 3.73Å; W105-F109 HydrophobicContact CB-CE2 3.61Å; W105-F109 HydrophobicContact CB-CZ 4.4Å; W105-F109 AromaticContact CD1-CE2 3.77Å; W105-F109 AromaticContact CD1-CZ 3.8Å; W105-F109 AromaticContact CD2-CE2 3.82Å; W105-F109 HydrophobicContact CD2-CE2 3.82Å; W105-F109 HydrophobicContact CD2-CZ 4.44Å; W105-F109 HydrophobicContact CE3-CE2 4.37Å; W105-F109 HydrophobicContact CG-CD2 4.11Å; W105-F109 AromaticContact CG-CE2 3.45Å; W105-F109 HydrophobicContact CG-CE2 3.45Å; W105-F109 VanDerWaalsContact CG-CE2 3.45Å; W105-F109 AromaticContact CG-CZ 3.98Å; W105-F109 HydrophobicContact CG-CZ 3.98Å; W105-F109 WeakPolarHBondContact O-CB 3.35Å; W105-F109 WeakPolarHBondContact O-CD2 3.19Å; W105-F109 WeakPolarHBondContact O-CG 3.46Å; W105-F109 PolarHBondContact O-N 3.48Å; F109-N111 PolarHBondContact O-N 2.98Å; F109-D112 PolarHBondContact O-N 2.72Å; F109-L115 HydrophobicContact CB-CB 3.78Å; F109-L115 HydrophobicContact CB-CD1 4.29Å; F109-L115 HydrophobicContact CD1-CD1 3.67Å; F109-L115 HydrophobicContact CD2-CB 4.28Å; F109-L115 HydrophobicContact CE1-CD1 4.15Å; F109-L115 HydrophobicContact CG-CB 3.99Å; F109-L115 HydrophobicContact CG-CD1 3.9Å; F109-A118 HydrophobicContact CD2-CB 3.76Å; F109-A118 HydrophobicContact CE2-CB 4.01Å; F109-A119 HydrophobicContact CB-CB 4.18Å
110K90.2Very high93.2Very high124 Ų12454.3 Ų54.354%0.53929%0.29SS..THydrogen-bonded Turntrans-52.1-27-176.861.8-167.1172.7-172.70116.1S106 E107S106-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 WeakPolarHBondContact O-CD 3.49Å; E107-K110 VanDerWaalsContact O-CE 3.23Å; E107-K110 WeakPolarHBondContact O-CE 3.45Å; E107-K110 WeakPolarHBondContact O-CG 3.31Å; E107-K110 IonicContact OE2-NZ 2.63Å; E107-K110 PolarHBondContact OE2-NZ 3.43Å
111N91.4Very high93.3Very high153 Ų15352 Ų5282%0.81828%0.28SS*.THydrogen-bonded Turntrans-91.8-6.2-177.8-66.2-26.3000113.8F109F109-N111 PolarHBondContact O-N 2.98Å
112D92Very high93.3Very high41 Ų4153.1 Ų53.122%0.21928%0.284CS..  trans-113.5105.8-173.5-165.2-22.8000111K68 F109 E114 L115 A116K68-D112 WeakPolarHBondContact CD-OD2 3.32Å; K68-D112 WeakPolarHBondContact CE-OD2 3.34Å; K68-D112 IonicContact NZ-OD1 2.91Å; K68-D112 PolarHBondContact NZ-OD1 3.08Å; K68-D112 IonicContact NZ-OD2 2.74Å; K68-D112 PolarHBondContact NZ-OD2 2.98Å; F109-D112 PolarHBondContact O-N 2.72Å; D112-E114 PolarHBondContact O-N 3.13Å; D112-E114 PolarHBondContact OD1-N 3.23Å; D112-L115 HydrophobicContact CB-CB 4.14Å; D112-L115 HydrophobicContact CB-CD1 4.05Å; D112-L115 HydrophobicContact CB-CG 4.04Å; D112-L115 PolarHBondContact O-N 3.32Å; D112-A116 PolarHBondContact O-N 3.42Å
113S91.8Very high93.3Very high112 Ų11257.1 Ų57.178%0.78331%0.312SS*.THydrogen-bonded Turntrans-62.3-24-176.3550000113.7L115S113-L115 VanDerWaalsContact C-N 3.29Å
114E91.9Very high93.3Very high88 Ų8856.5 Ų56.541%0.41131%0.307SS..THydrogen-bonded Turntrans-76.2-19.2174.7-60.3-176.5164.200112.6K68 R72 A75 D112K68-E114 WeakPolarHBondContact CE-OE2 3.39Å; K68-E114 IonicContact NZ-OE2 2.69Å; K68-E114 PolarHBondContact NZ-OE2 3.03Å; R72-E114 IonicContact CZ-OE1 2.73Å; R72-E114 IonicContact CZ-OE2 2.65Å; R72-E114 IonicContact NE-OE1 3.33Å; R72-E114 IonicContact NE-OE2 3.19Å; R72-E114 PolarHBondContact NE-OE2 2.87Å; R72-E114 IonicContact NH2-OE1 2.98Å; R72-E114 PolarHBondContact NH2-OE1 3.37Å; R72-E114 IonicContact NH2-OE2 3.68Å; R72-E114 PolarHBondContact NH2-OE2 2.8Å; A75-E114 WeakPolarHBondContact CB-O 3.39Å; D112-E114 PolarHBondContact O-N 3.13Å; D112-E114 PolarHBondContact OD1-N 3.23Å
115L93.4Very high93.4Very high7 Ų752.8 Ų52.84%0.03729%0.291CS..SBendtrans-103.94-179.4-55.1-176.2000112.7N71 R72 A75 F109 D112 S113 L117 A118 A119N71-L115 VanDerWaalsContact C-CD2 3.4Å; N71-L115 HydrophobicContact CB-CD1 4.03Å; N71-L115 HydrophobicContact CB-CD2 3.79Å; N71-L115 WeakPolarHBondContact O-CD2 3.46Å; R72-L115 HydrophobicContact CG-CD2 4.46Å; A75-L115 HydrophobicContact CB-CD2 4.03Å; F109-L115 HydrophobicContact CB-CB 3.78Å; F109-L115 HydrophobicContact CB-CD1 4.29Å; F109-L115 HydrophobicContact CD1-CD1 3.67Å; F109-L115 HydrophobicContact CD2-CB 4.28Å; F109-L115 HydrophobicContact CE1-CD1 4.15Å; F109-L115 HydrophobicContact CG-CB 3.99Å; F109-L115 HydrophobicContact CG-CD1 3.9Å; D112-L115 HydrophobicContact CB-CB 4.14Å; D112-L115 HydrophobicContact CB-CD1 4.05Å; D112-L115 HydrophobicContact CB-CG 4.04Å; D112-L115 PolarHBondContact O-N 3.32Å; S113-L115 VanDerWaalsContact C-N 3.29Å; L115-L117 PolarHBondContact O-N 3.33Å; L115-L117 VanDerWaalsContact O-N 3.15Å; L115-A118 WeakPolarHBondContact O-CA 3.44Å; L115-A118 WeakPolarHBondContact O-CB 3.34Å; L115-A118 PolarHBondContact O-N 3.45Å; L115-A119 PolarHBondContact O-N 3.46Å
116A92.9Very high93.3Very high53 Ų5358.5 Ų58.544%0.43832%0.316SS..Hα-helixtrans-56.7-32-176.400000114.1D112 A119 S120D112-A116 PolarHBondContact O-N 3.42Å; A116-A119 PolarHBondContact O-N 3.46Å; A116-S120 WeakPolarHBondContact O-CB 3.41Å; A116-S120 PolarHBondContact O-N 3.17Å
117L93.4Very high93.4Very high81 Ų8163.1 Ų63.142%0.42434%0.339SS..Hα-helixtrans-65.4-40.7173.3-77.4173.6000112A75 L115 S120A75-L117 HydrophobicContact CB-CB 4.46Å; A75-L117 WeakPolarHBondContact O-CB 3.28Å; A75-L117 VanDerWaalsContact O-CD1 3.22Å; A75-L117 WeakPolarHBondContact O-CD1 3.38Å; L115-L117 PolarHBondContact O-N 3.33Å; L115-L117 VanDerWaalsContact O-N 3.15Å; L117-S120 PolarHBondContact O-N 2.85Å; L117-S120 PolarHBondContact O-OG 2.97Å
118A93.7Very high93.4Very high0 Ų062.6 Ų62.60%034%0.336CS..Hα-helixtrans-68.9-40.917500000111.8A75 F109 L115 S120 F121A75-A118 HydrophobicContact CB-CB 4.12Å; F109-A118 HydrophobicContact CD2-CB 3.76Å; F109-A118 HydrophobicContact CE2-CB 4.01Å; L115-A118 WeakPolarHBondContact O-CA 3.44Å; L115-A118 WeakPolarHBondContact O-CB 3.34Å; L115-A118 PolarHBondContact O-N 3.45Å; A118-S120 PolarHBondContact O-N 3.39Å; A118-F121 HydrophobicContact CB-CD2 4.43Å; A118-F121 HydrophobicContact CB-CE2 4.39Å; A118-F121 VanDerWaalsContact O-CD2 3.24Å; A118-F121 WeakPolarHBondContact O-CD2 3.37Å; A118-F121 PolarHBondContact O-N 3.39Å
119A94Very high93.5Very high17 Ų1761 Ų6114%0.1433%0.327CS..Hα-helixtrans-59.6-32.5172.900000112.5S106 F109 L115 A116 F121S106-A119 WeakPolarHBondContact CB-O 3.2Å; F109-A119 HydrophobicContact CB-CB 4.18Å; L115-A119 PolarHBondContact O-N 3.46Å; A116-A119 PolarHBondContact O-N 3.46Å; A119-F121 VanDerWaalsContact C-N 3.28Å; A119-F121 PolarHBondContact O-N 2.97Å
120S94.7Very high93.5Very high41 Ų4163.6 Ų63.629%0.28735%0.345SS..Hα-helixtrans-70.8-13.5-17982.40000115.2A116 L117 A118 Y122 S123 W124A116-S120 WeakPolarHBondContact O-CB 3.41Å; A116-S120 PolarHBondContact O-N 3.17Å; L117-S120 PolarHBondContact O-N 2.85Å; L117-S120 PolarHBondContact O-OG 2.97Å; A118-S120 PolarHBondContact O-N 3.39Å; S120-Y122 VanDerWaalsContact C-N 3.34Å; S120-Y122 PolarHBondContact O-N 2.9Å; S120-S123 PolarHBondContact O-N 3.29Å; S120-W124 PolarHBondContact O-N 2.93Å
121F95.7Very high93.5Very high0 Ų063.6 Ų63.60%035%0.351CS..Hα-helixtrans-60-41.9-176.7-79.1-60.8000112.6F79 T80 I83 F102 W105 A118 A119 W124 V125F79-F121 AromaticContact CD1-CE2 3.91Å; F79-F121 HydrophobicContact CD1-CE2 3.91Å; F79-F121 AromaticContact CD1-CZ 3.66Å; F79-F121 HydrophobicContact CD1-CZ 3.66Å; F79-F121 AromaticContact CE1-CE2 3.61Å; F79-F121 HydrophobicContact CE1-CE2 3.61Å; F79-F121 AromaticContact CE1-CZ 3.63Å; F79-F121 HydrophobicContact CE1-CZ 3.63Å; T80-F121 HydrophobicContact CG2-CE1 4.05Å; T80-F121 HydrophobicContact CG2-CZ 4.28Å; I83-F121 HydrophobicContact CB-CE1 3.85Å; I83-F121 HydrophobicContact CB-CZ 4.27Å; I83-F121 HydrophobicContact CG1-CE1 4.23Å; I83-F121 HydrophobicContact CG1-CZ 4.17Å; I83-F121 HydrophobicContact CG2-CD1 4.07Å; I83-F121 HydrophobicContact CG2-CE1 3.69Å; I83-F121 HydrophobicContact CG2-CZ 4.44Å; F102-F121 HydrophobicContact CB-CB 3.82Å; F102-F121 HydrophobicContact CD1-CB 3.67Å; F102-F121 HydrophobicContact CD1-CD2 4Å; F102-F121 AromaticContact CD1-CG 3.95Å; F102-F121 HydrophobicContact CD1-CG 3.95Å; F102-F121 HydrophobicContact CD2-CB 3.79Å; F102-F121 HydrophobicContact CD2-CG 4.45Å; F102-F121 HydrophobicContact CE1-CB 4.11Å; F102-F121 HydrophobicContact CE1-CD1 4.42Å; F102-F121 AromaticContact CE1-CD2 3.94Å; F102-F121 HydrophobicContact CE1-CD2 3.94Å; F102-F121 HydrophobicContact CE1-CE2 4.49Å; F102-F121 AromaticContact CE1-CG 3.93Å; F102-F121 HydrophobicContact CE1-CG 3.93Å; F102-F121 HydrophobicContact CE2-CB 4.21Å; F102-F121 HydrophobicContact CE2-CD1 4.45Å; F102-F121 HydrophobicContact CE2-CG 4.41Å; F102-F121 HydrophobicContact CG-CB 3.49Å; F102-F121 VanDerWaalsContact CG-CB 3.49Å; F102-F121 HydrophobicContact CG-CG 4.23Å; F102-F121 HydrophobicContact CZ-CB 4.37Å; F102-F121 HydrophobicContact CZ-CD1 4.24Å; F102-F121 HydrophobicContact CZ-CG 4.17Å; W105-F121 HydrophobicContact CE3-CD2 4.35Å; W105-F121 HydrophobicContact CZ3-CD2 4.44Å; A118-F121 HydrophobicContact CB-CD2 4.43Å; A118-F121 HydrophobicContact CB-CE2 4.39Å; A118-F121 VanDerWaalsContact O-CD2 3.24Å; A118-F121 WeakPolarHBondContact O-CD2 3.37Å; A118-F121 PolarHBondContact O-N 3.39Å; A119-F121 VanDerWaalsContact C-N 3.28Å; A119-F121 PolarHBondContact O-N 2.97Å; F121-W124 HydrophobicContact CD1-CE3 4.19Å; F121-W124 PolarHBondContact O-N 3.44Å; F121-V125 WeakPolarHBondContact O-CG2 3.48Å; F121-V125 PolarHBondContact O-N 3.05Å
122Y94.9Very high93.5Very high30 Ų3058.7 Ų58.712%0.11832%0.324CS..Hα-helixtrans-64.7-47.1-179-177-120.2000112I99 E103 S120 W124 V125 K126 V133 M137I99-Y122 HydrophobicContact CG2-CD2 4.44Å; I99-Y122 HydrophobicContact CG2-CE2 4.27Å; E103-Y122 HydrophobicContact CB-CD2 3.66Å; E103-Y122 HydrophobicContact CB-CE2 3.75Å; E103-Y122 HydrophobicContact CB-CG 4.1Å; E103-Y122 HydrophobicContact CG-CD1 4.43Å; E103-Y122 HydrophobicContact CG-CD2 4.19Å; E103-Y122 HydrophobicContact CG-CE1 4.11Å; E103-Y122 HydrophobicContact CG-CE2 3.88Å; E103-Y122 HydrophobicContact CG-CG 4.46Å; S120-Y122 VanDerWaalsContact C-N 3.34Å; S120-Y122 PolarHBondContact O-N 2.9Å; Y122-W124 PolarHBondContact O-N 3.07Å; Y122-V125 PolarHBondContact O-N 3.1Å; Y122-K126 VanDerWaalsContact O-CB 3.27Å; Y122-K126 WeakPolarHBondContact O-CB 3.37Å; Y122-K126 PolarHBondContact O-N 3.14Å; Y122-V133 HydrophobicContact CE2-CG1 4.28Å; Y122-M137 WeakPolarHBondContact OH-CE 3.38Å
123S94.1Very high93.5Very high83 Ų8357 Ų5758%0.5832%0.316SS*.Hα-helixtrans-59.9-35175.2-550000112.6S120 N127S120-S123 PolarHBondContact O-N 3.29Å; S123-N127 PolarHBondContact O-N 3.13Å
124W95.4Very high93.5Very high34 Ų3457.6 Ų57.613%0.12930%0.304CS..Hα-helixtrans-69.3-50.1174.4166.265.8000112.5I83 K84 F87 S120 F121 Y122 K126 N127 E128 Y129I83-W124 HydrophobicContact CG2-CZ3 4.2Å; K84-W124 HydrophobicContact CB-CH2 4.12Å; K84-W124 HydrophobicContact CB-CZ2 3.85Å; K84-W124 HydrophobicContact CD-CD2 3.8Å; K84-W124 HydrophobicContact CD-CE3 4.37Å; K84-W124 HydrophobicContact CD-CG 4.13Å; K84-W124 HydrophobicContact CD-CZ2 4.1Å; K84-W124 VanDerWaalsContact CE-CD2 3.41Å; K84-W124 VanDerWaalsContact CE-CG 3.44Å; K84-W124 HydrophobicContact CG-CD2 3.84Å; K84-W124 HydrophobicContact CG-CE3 3.97Å; K84-W124 HydrophobicContact CG-CH2 3.76Å; K84-W124 HydrophobicContact CG-CZ2 3.58Å; K84-W124 HydrophobicContact CG-CZ3 3.93Å; F87-W124 HydrophobicContact CB-CH2 3.83Å; F87-W124 HydrophobicContact CD1-CH2 4.38Å; F87-W124 HydrophobicContact CD2-CH2 4.41Å; F87-W124 HydrophobicContact CD2-CZ3 4.39Å; F87-W124 AromaticContact CG-CH2 3.97Å; F87-W124 HydrophobicContact CG-CH2 3.97Å; F87-W124 HydrophobicContact CG-CZ3 4.39Å; S120-W124 PolarHBondContact O-N 2.93Å; F121-W124 HydrophobicContact CD1-CE3 4.19Å; F121-W124 PolarHBondContact O-N 3.44Å; Y122-W124 PolarHBondContact O-N 3.07Å; W124-K126 VanDerWaalsContact C-N 3.28Å; W124-K126 PolarHBondContact O-N 2.73Å; W124-N127 PolarHBondContact O-N 2.84Å; W124-N127 VanDerWaalsContact O-N 3.08Å; W124-E128 HydrophobicContact CG-CG 4.5Å; W124-E128 HydrophobicContact CZ2-CG 4.37Å; W124-E128 PolarHBondContact O-N 2.96Å; W124-Y129 AromaticContact CH2-CE2 3.99Å; W124-Y129 HydrophobicContact CH2-CE2 3.99Å; W124-Y129 AromaticContact CZ2-CE2 3.91Å; W124-Y129 HydrophobicContact CZ2-CE2 3.91Å
125V94.6Very high93.3Very high0 Ų055.1 Ų55.10%029%0.293CS..Hα-helixtrans-60.6-40.7177174.80000110.7F87 I99 F102 F121 Y122 N127 E128 Y129 V133F87-V125 HydrophobicContact CE1-CG1 4.44Å; F87-V125 HydrophobicContact CE2-CG2 4.19Å; F87-V125 HydrophobicContact CZ-CG1 4.07Å; F87-V125 HydrophobicContact CZ-CG2 4.15Å; I99-V125 HydrophobicContact CD1-CG1 3.63Å; I99-V125 HydrophobicContact CG1-CG1 3.57Å; F102-V125 HydrophobicContact CD2-CG2 3.89Å; F102-V125 HydrophobicContact CE2-CG2 4.16Å; F121-V125 WeakPolarHBondContact O-CG2 3.48Å; F121-V125 PolarHBondContact O-N 3.05Å; Y122-V125 PolarHBondContact O-N 3.1Å; V125-N127 PolarHBondContact O-N 3.44Å; V125-E128 PolarHBondContact O-N 3.23Å; V125-Y129 HydrophobicContact CG1-CD2 4.33Å; V125-Y129 CarbonylContact O-C 3.54Å; V125-Y129 WeakPolarHBondContact O-CA 3.34Å; V125-Y129 PolarHBondContact O-N 3.34Å; V125-V133 HydrophobicContact CB-CG2 4.43Å; V125-V133 HydrophobicContact CG1-CG2 3.56Å
126K94.2Very high93Very high120 Ų12055.1 Ų55.152%0.52229%0.294SS..Hα-helixtrans-61.9-22.4177.2-171.3171.5-180176.10113.8Y122 W124 V133Y122-K126 VanDerWaalsContact O-CB 3.27Å; Y122-K126 WeakPolarHBondContact O-CB 3.37Å; Y122-K126 PolarHBondContact O-N 3.14Å; W124-K126 VanDerWaalsContact C-N 3.28Å; W124-K126 PolarHBondContact O-N 2.73Å; K126-V133 HydrophobicContact CB-CG2 4.47Å
127N94.8Very high92.7Very high119 Ų11956.3 Ų56.364%0.63629%0.291SS*.Hα-helixtrans-87-46.9174.1-167.480.8000112.6S123 W124 V125S123-N127 PolarHBondContact O-N 3.13Å; W124-N127 PolarHBondContact O-N 2.84Å; W124-N127 VanDerWaalsContact O-N 3.08Å; V125-N127 PolarHBondContact O-N 3.44Å
128E93.6Very high92.3Very high106 Ų10655.5 Ų55.550%0.49529%0.287SS..Hα-helixtrans-84.8-28.2-173.7-52.2-58.111000114.3W124 V125W124-E128 HydrophobicContact CG-CG 4.5Å; W124-E128 HydrophobicContact CZ2-CG 4.37Å; W124-E128 PolarHBondContact O-N 2.96Å; V125-E128 PolarHBondContact O-N 3.23Å
129Y94.1Very high91.5Very high59 Ų5958.6 Ų58.623%0.23130%0.302CS..  trans-134.655.1-172.2-52.6-78.6000112.2F87 W124 V125 D131 L132 V133F87-Y129 AromaticContact CD1-CD2 3.7Å; F87-Y129 HydrophobicContact CD1-CD2 3.7Å; F87-Y129 HydrophobicContact CD1-CE1 4.32Å; F87-Y129 AromaticContact CD1-CE2 3.38Å; F87-Y129 HydrophobicContact CD1-CE2 3.38Å; F87-Y129 HydrophobicContact CD1-CG 4.32Å; F87-Y129 AromaticContact CD1-CZ 3.73Å; F87-Y129 HydrophobicContact CE1-CD1 4.45Å; F87-Y129 AromaticContact CE1-CD2 3.56Å; F87-Y129 HydrophobicContact CE1-CD2 3.56Å; F87-Y129 AromaticContact CE1-CE2 3.78Å; F87-Y129 HydrophobicContact CE1-CE2 3.78Å; F87-Y129 AromaticContact CE1-CG 3.94Å; F87-Y129 HydrophobicContact CE1-CG 3.94Å; F87-Y129 HydrophobicContact CG-CE2 4.3Å; W124-Y129 AromaticContact CH2-CE2 3.99Å; W124-Y129 HydrophobicContact CH2-CE2 3.99Å; W124-Y129 AromaticContact CZ2-CE2 3.91Å; W124-Y129 HydrophobicContact CZ2-CE2 3.91Å; V125-Y129 HydrophobicContact CG1-CD2 4.33Å; V125-Y129 CarbonylContact O-C 3.54Å; V125-Y129 WeakPolarHBondContact O-CA 3.34Å; V125-Y129 PolarHBondContact O-N 3.34Å; Y129-D131 VanDerWaalsContact C-N 3.27Å; Y129-D131 PolarHBondContact O-N 3.45Å; Y129-L132 PolarHBondContact O-N 3.26Å; Y129-V133 PolarHBondContact O-N 3.49Å
130P92.2Very high90.5Very high67 Ų6760.9 Ų60.944%0.43531%0.307SS..Hα-helixtrans-57.6-36.8-174.624.5-34.8000113.1L132 V133 K134P130-L132 PolarHBondContact O-N 3.4Å; P130-V133 PolarHBondContact O-N 2.85Å; P130-K134 PolarHBondContact O-N 3.31Å
131D91.2Very high88.9Confident124 Ų12463.8 Ų63.866%0.66332%0.316SS*.Hα-helixtrans-65.8-37.3-179.6-53.8-71.1000112.9Y129 K134 Q135Y129-D131 VanDerWaalsContact C-N 3.27Å; Y129-D131 PolarHBondContact O-N 3.45Å; D131-K134 PolarHBondContact O-N 2.65Å; D131-Q135 PolarHBondContact O-N 2.87Å
132L90.7Very high87Confident50 Ų5069.5 Ų69.526%0.26235%0.345SS..Hα-helixtrans-72.1-34.6176-79.872.5000111.3F87 I99 Y129 P130 Q135 A136F87-L132 HydrophobicContact CE1-CD2 4.44Å; I99-L132 HydrophobicContact CD1-CB 3.82Å; Y129-L132 PolarHBondContact O-N 3.26Å; P130-L132 PolarHBondContact O-N 3.4Å; L132-Q135 PolarHBondContact O-N 3.44Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 2.91Å
133V92.2Very high85.1Confident7 Ų772.2 Ų72.24%0.04236%0.364CS..Hα-helixtrans-67.1-39.9173176.40000110.6I99 Y122 V125 K126 Y129 P130 A136 M137I99-V133 HydrophobicContact CD1-CG2 4.17Å; I99-V133 HydrophobicContact CG2-CG2 4.08Å; Y122-V133 HydrophobicContact CE2-CG1 4.28Å; V125-V133 HydrophobicContact CB-CG2 4.43Å; V125-V133 HydrophobicContact CG1-CG2 3.56Å; K126-V133 HydrophobicContact CB-CG2 4.47Å; Y129-V133 PolarHBondContact O-N 3.49Å; P130-V133 PolarHBondContact O-N 2.85Å; V133-A136 PolarHBondContact O-N 3.45Å; V133-M137 HydrophobicContact CG1-CE 3.87Å; V133-M137 WeakPolarHBondContact O-CG 3.29Å; V133-M137 PolarHBondContact O-N 2.73Å; V133-M137 VanDerWaalsContact O-N 3.09Å
134K91.2Very high82.9Confident124 Ų12474.3 Ų74.354%0.53936%0.363SS..Hα-helixtrans-60.8-49.6171.8-165.9-153.8172.8-115.60110.9P130 D131 A136 M137 D138P130-K134 PolarHBondContact O-N 3.31Å; D131-K134 PolarHBondContact O-N 2.65Å; K134-A136 VanDerWaalsContact C-N 3.28Å; K134-A136 PolarHBondContact O-N 2.98Å; K134-M137 WeakPolarHBondContact O-CA 3.49Å; K134-M137 WeakPolarHBondContact O-CB 3.4Å; K134-M137 PolarHBondContact O-N 2.9Å; K134-D138 WeakPolarHBondContact CE-OD2 3.32Å; K134-D138 IonicContact NZ-OD1 3.91Å; K134-D138 IonicContact NZ-OD2 2.72Å; K134-D138 PolarHBondContact NZ-OD2 3.22Å; K134-D138 VanDerWaalsContact O-CG 3.27Å; K134-D138 PolarHBondContact O-N 2.87Å
135Q87.8Confident80.4Confident35 Ų3578.6 Ų78.616%0.16438%0.384CS..Hα-helixtrans-59.6-37.9178.4-163.1-168.3-24.900112.2R92 I96 D131 L132 M137 D138 E139R92-Q135 VanDerWaalsContact CD-NE2 3.25Å; R92-Q135 VanDerWaalsContact CZ-OE1 3.25Å; I96-Q135 HydrophobicContact CD1-CB 4.28Å; I96-Q135 HydrophobicContact CD1-CG 3.95Å; D131-Q135 PolarHBondContact O-N 2.87Å; L132-Q135 PolarHBondContact O-N 3.44Å; Q135-M137 VanDerWaalsContact C-N 3.31Å; Q135-M137 PolarHBondContact O-N 2.78Å; Q135-D138 PolarHBondContact O-N 3.16Å; Q135-E139 HydrophobicContact CG-CG 4.45Å; Q135-E139 PolarHBondContact NE2-OE1 3.25Å; Q135-E139 WeakPolarHBondContact O-CB 3.48Å; Q135-E139 WeakPolarHBondContact O-CG 3.49Å; Q135-E139 PolarHBondContact O-N 2.88Å
136A88.2Confident77.8Confident7 Ų780.9 Ų80.96%0.05841%0.408CS..Hα-helixtrans-65.3-31.6174.600000113.3I96 I99 L132 V133 K134 R140I96-A136 HydrophobicContact CB-CB 4.45Å; I96-A136 HydrophobicContact CG1-CB 4.35Å; I96-A136 HydrophobicContact CG2-CB 3.82Å; I99-A136 HydrophobicContact CG2-CB 4.24Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 2.91Å; V133-A136 PolarHBondContact O-N 3.45Å; K134-A136 VanDerWaalsContact C-N 3.28Å; K134-A136 PolarHBondContact O-N 2.98Å; A136-R140 WeakPolarHBondContact O-CG 3.5Å; A136-R140 PolarHBondContact O-N 2.77Å
137M86.9Confident75.3Confident78 Ų7879 Ų7938%0.38440%0.401SS..Hα-helixtrans-73.7-45.5172.1-68.5176.3178.600111.6Y122 V133 K134 Q135 R140 Q141Y122-M137 WeakPolarHBondContact OH-CE 3.38Å; V133-M137 HydrophobicContact CG1-CE 3.87Å; V133-M137 WeakPolarHBondContact O-CG 3.29Å; V133-M137 PolarHBondContact O-N 2.73Å; V133-M137 VanDerWaalsContact O-N 3.09Å; K134-M137 WeakPolarHBondContact O-CA 3.49Å; K134-M137 WeakPolarHBondContact O-CB 3.4Å; K134-M137 PolarHBondContact O-N 2.9Å; Q135-M137 VanDerWaalsContact C-N 3.31Å; Q135-M137 PolarHBondContact O-N 2.78Å; M137-R140 WeakPolarHBondContact O-CB 3.44Å; M137-R140 PolarHBondContact O-N 3.12Å; M137-Q141 PolarHBondContact O-N 3.47Å
138D84.8Confident72.6Confident65 Ų6576.8 Ų76.835%0.34839%0.394SS..Hα-helixtrans-62.4-48.7-179.6-64.3-18.3000110.9K134 Q135 R140 Q141 I142K134-D138 WeakPolarHBondContact CE-OD2 3.32Å; K134-D138 IonicContact NZ-OD1 3.91Å; K134-D138 IonicContact NZ-OD2 2.72Å; K134-D138 PolarHBondContact NZ-OD2 3.22Å; K134-D138 VanDerWaalsContact O-CG 3.27Å; K134-D138 PolarHBondContact O-N 2.87Å; Q135-D138 PolarHBondContact O-N 3.16Å; D138-R140 VanDerWaalsContact C-N 3.29Å; D138-R140 PolarHBondContact O-N 2.89Å; D138-Q141 PolarHBondContact O-N 3.28Å; D138-I142 PolarHBondContact O-N 3.44Å
139E77Confident70.1Confident65 Ų6582.1 Ų82.130%0.30441%0.41SS..Hα-helixtrans-57.1-41.1175.9-79.4-178.7-162.900111.7I96 Q135 Q141 I142 V143I96-E139 VanDerWaalsContact CD1-OE1 3.31Å; I96-E139 WeakPolarHBondContact CD1-OE1 3.36Å; Q135-E139 HydrophobicContact CG-CG 4.45Å; Q135-E139 PolarHBondContact NE2-OE1 3.25Å; Q135-E139 WeakPolarHBondContact O-CB 3.48Å; Q135-E139 WeakPolarHBondContact O-CG 3.49Å; Q135-E139 PolarHBondContact O-N 2.88Å; E139-Q141 VanDerWaalsContact C-N 3.3Å; E139-Q141 PolarHBondContact O-N 3.29Å; E139-I142 WeakPolarHBondContact O-CB 3.46Å; E139-I142 PolarHBondContact O-N 3.19Å; E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.38Å
140R71.3Confident67.7Low65 Ų6584.9 Ų84.925%0.24543%0.425CS..Hα-helixtrans-62-34.3174.6-84.1-176.1176.8164.713.7113.8E100 E103 A136 M137 D138 K144E100-R140 IonicContact OE1-CZ 2.74Å; E100-R140 VanDerWaalsContact OE1-CZ 3.28Å; E100-R140 IonicContact OE1-NE 3.77Å; E100-R140 PolarHBondContact OE1-NE 2.89Å; E100-R140 IonicContact OE1-NH2 2.79Å; E100-R140 PolarHBondContact OE1-NH2 2.87Å; E103-R140 VanDerWaalsContact CD-NH1 3.28Å; E103-R140 IonicContact OE1-NH1 2.81Å; E103-R140 PolarHBondContact OE1-NH1 3.15Å; E103-R140 IonicContact OE2-CZ 3.18Å; E103-R140 IonicContact OE2-NH1 2.98Å; E103-R140 PolarHBondContact OE2-NH1 3.21Å; E103-R140 IonicContact OE2-NH2 3.98Å; E103-R140 PolarHBondContact OE2-NH2 2.88Å; A136-R140 WeakPolarHBondContact O-CG 3.5Å; A136-R140 PolarHBondContact O-N 2.77Å; M137-R140 WeakPolarHBondContact O-CB 3.44Å; M137-R140 PolarHBondContact O-N 3.12Å; D138-R140 VanDerWaalsContact C-N 3.29Å; D138-R140 PolarHBondContact O-N 2.89Å; R140-K144 VanDerWaalsContact O-CB 3.32Å; R140-K144 WeakPolarHBondContact O-CB 3.32Å; R140-K144 VanDerWaalsContact O-CG 3.24Å; R140-K144 WeakPolarHBondContact O-CG 3.42Å; R140-K144 PolarHBondContact O-N 3.41Å
141Q61.2Low65.3Low102 Ų10287.9 Ų87.948%0.47743%0.433SS..Hα-helixtrans-71.4-39.4175.7-58.9-64.220.400110.7M137 D138 E139 K144 H145M137-Q141 PolarHBondContact O-N 3.47Å; D138-Q141 PolarHBondContact O-N 3.28Å; E139-Q141 VanDerWaalsContact C-N 3.3Å; E139-Q141 PolarHBondContact O-N 3.29Å; Q141-K144 PolarHBondContact O-N 3.16Å; Q141-K144 VanDerWaalsContact O-N 3.15Å; Q141-H145 PolarHBondContact O-N 2.89Å; Q141-H145 PolarHBondContact O-ND1 3.43Å
142I57.5Low63.3Low120 Ų12085.1 Ų85.162%0.61542%0.42SS*.Hα-helixtrans-58.8-49.6173.4-63.6166.6000110.2D138 E139 K144 H145 G146D138-I142 PolarHBondContact O-N 3.44Å; E139-I142 WeakPolarHBondContact O-CB 3.46Å; E139-I142 PolarHBondContact O-N 3.19Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 3.1Å; I142-H145 PolarHBondContact O-N 3.23Å; I142-G146 PolarHBondContact O-N 3.42Å
143V53.5Low61.5Low86 Ų8685.6 Ų85.652%0.52143%0.428SS..Hα-helixtrans-63.7-38.7176-164.10000110.4E139 H145 G146 H147E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.38Å; V143-H145 PolarHBondContact O-N 2.81Å; V143-G146 CarbonylContact O-C 3.48Å; V143-G146 VanDerWaalsContact O-C 3.31Å; V143-G146 WeakPolarHBondContact O-CA 3.4Å; V143-G146 PolarHBondContact O-N 3.35Å; V143-G146 VanDerWaalsContact O-N 3.11Å; V143-H147 VanDerWaalsContact C-ND1 3.27Å; V143-H147 PolarHBondContact O-N 3.38Å; V143-H147 PolarHBondContact O-ND1 3.44Å
144K49.4Very low59.8Low127 Ų12792.5 Ų92.555%0.55246%0.46SS*.Hα-helixtrans-62.2-35.6177.8-83.2173.3176.5-176.80114.5R140 Q141 I142 H147R140-K144 VanDerWaalsContact O-CB 3.32Å; R140-K144 WeakPolarHBondContact O-CB 3.32Å; R140-K144 VanDerWaalsContact O-CG 3.24Å; R140-K144 WeakPolarHBondContact O-CG 3.42Å; R140-K144 PolarHBondContact O-N 3.41Å; Q141-K144 PolarHBondContact O-N 3.16Å; Q141-K144 VanDerWaalsContact O-N 3.15Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 3.1Å; K144-H147 WeakPolarHBondContact CA-ND1 3.44Å; K144-H147 WeakPolarHBondContact O-CB 3.35Å; K144-H147 PolarHBondContact O-N 3.02Å
145H42.9Very low58.5Low125 Ų12589.3 Ų89.358%0.57945%0.453SS*.Hα-helixtrans-75.3-34.1172.3-64.383.5000110.6Q141 I142 V143 H147 S148Q141-H145 PolarHBondContact O-N 2.89Å; Q141-H145 PolarHBondContact O-ND1 3.43Å; I142-H145 PolarHBondContact O-N 3.23Å; V143-H145 PolarHBondContact O-N 2.81Å; H145-H147 VanDerWaalsContact C-N 3.26Å; H145-H147 PolarHBondContact O-N 3.14Å; H145-S148 PolarHBondContact O-N 3.07Å
146G39.9Very low57.8Low48 Ų4893 Ų9350%0.49547%0.471SS..Hα-helixtrans-62-24.1165.500000115.2I142 V143 S148 R149I142-G146 PolarHBondContact O-N 3.42Å; V143-G146 CarbonylContact O-C 3.48Å; V143-G146 VanDerWaalsContact O-C 3.31Å; V143-G146 WeakPolarHBondContact O-CA 3.4Å; V143-G146 PolarHBondContact O-N 3.35Å; V143-G146 VanDerWaalsContact O-N 3.11Å; G146-S148 PolarHBondContact O-N 3.4Å; G146-S148 VanDerWaalsContact O-N 3.1Å; G146-R149 PolarHBondContact O-N 3.36Å
147H40Very low57.2Low81 Ų8195.5 Ų95.538%0.37549%0.491SS..THydrogen-bonded Turntrans-67.2-6.7177-80.982.3000112.5V143 K144 H145 R149 Q150 H151V143-H147 VanDerWaalsContact C-ND1 3.27Å; V143-H147 PolarHBondContact O-N 3.38Å; V143-H147 PolarHBondContact O-ND1 3.44Å; K144-H147 WeakPolarHBondContact CA-ND1 3.44Å; K144-H147 WeakPolarHBondContact O-CB 3.35Å; K144-H147 PolarHBondContact O-N 3.02Å; H145-H147 VanDerWaalsContact C-N 3.26Å; H145-H147 PolarHBondContact O-N 3.14Å; H147-R149 PolarHBondContact O-N 3.28Å; H147-R149 VanDerWaalsContact O-N 3.14Å; H147-Q150 PolarHBondContact CD2-OE1 2.73Å; H147-Q150 PolarHBondContact NE2-OE1 2.9Å; H147-Q150 CarbonylContact O-C 3.6Å; H147-Q150 WeakPolarHBondContact O-CA 3.32Å; H147-Q150 PolarHBondContact O-N 2.83Å; H147-H151 PolarHBondContact O-N 3.3Å
148S39.7Very low56.8Low71 Ų7197.3 Ų97.350%0.49750%0.497SS..Hα-helixtrans-49.9-36.4162.9-171.90000110.9H145 G146 Q150 H151 V152H145-S148 PolarHBondContact O-N 3.07Å; G146-S148 PolarHBondContact O-N 3.4Å; G146-S148 VanDerWaalsContact O-N 3.1Å; S148-Q150 PolarHBondContact O-N 3Å; S148-H151 PolarHBondContact O-N 2.93Å; S148-V152 WeakPolarHBondContact O-CG2 3.47Å; S148-V152 PolarHBondContact O-N 3.31Å
149R40.9Very low56.5Low219 Ų219100 Ų10083%0.82651%0.507SS*.Hα-helixtrans-75.2-16.1175.4-146.4174.5-167.7172.15115.3G146 H147G146-R149 PolarHBondContact O-N 3.36Å; H147-R149 PolarHBondContact O-N 3.28Å; H147-R149 VanDerWaalsContact O-N 3.14Å
150Q42.2Very low56.6Low117 Ų117103.8 Ų103.855%0.54753%0.525SS..Hα-helixtrans-95.1-29.5169.6-87.4-166.8-11.300112.8H147 S148 V152 S153 Q154H147-Q150 PolarHBondContact CD2-OE1 2.73Å; H147-Q150 PolarHBondContact NE2-OE1 2.9Å; H147-Q150 CarbonylContact O-C 3.6Å; H147-Q150 WeakPolarHBondContact O-CA 3.32Å; H147-Q150 PolarHBondContact O-N 2.83Å; S148-Q150 PolarHBondContact O-N 3Å; Q150-V152 PolarHBondContact O-N 3.1Å; Q150-S153 WeakPolarHBondContact CA-OG 3.44Å; Q150-S153 PolarHBondContact O-N 2.99Å; Q150-S153 PolarHBondContact O-OG 3.36Å; Q150-Q154 PolarHBondContact O-N 3.37Å
151H42.9Very low57.3Low129 Ų129107.5 Ų107.560%0.59755%0.545SS*.Hα-helixtrans-61.9-36.2165.2-160.5-85.3000109.9H147 S148 S153 Q154 S155H147-H151 PolarHBondContact O-N 3.3Å; S148-H151 PolarHBondContact O-N 2.93Å; H151-S153 PolarHBondContact O-N 3.11Å; H151-Q154 PolarHBondContact O-N 3.43Å; H151-S155 WeakPolarHBondContact O-CA 3.32Å; H151-S155 WeakPolarHBondContact O-CB 3.4Å; H151-S155 PolarHBondContact O-N 3.29Å
152V49.9Very low58.4Low66 Ų66106 Ų10640%0.454%0.54SS..Hα-helixtrans-55-46.3165.7166.10000111.6S148 Q150 S155 Q156S148-V152 WeakPolarHBondContact O-CG2 3.47Å; S148-V152 PolarHBondContact O-N 3.31Å; Q150-V152 PolarHBondContact O-N 3.1Å; V152-S155 PolarHBondContact O-N 2.9Å; V152-Q156 HydrophobicContact CG1-CG 4.17Å; V152-Q156 WeakPolarHBondContact O-CB 3.45Å; V152-Q156 VanDerWaalsContact O-CG 3.22Å; V152-Q156 WeakPolarHBondContact O-CG 3.27Å; V152-Q156 PolarHBondContact O-N 3.17Å
153S52Low59.7Low61 Ų61105 Ų10543%0.42754%0.536SS..Hα-helixtrans-69.2-33.5179.2560000114.9Q150 H151 A157Q150-S153 WeakPolarHBondContact CA-OG 3.44Å; Q150-S153 PolarHBondContact O-N 2.99Å; Q150-S153 PolarHBondContact O-OG 3.36Å; H151-S153 PolarHBondContact O-N 3.11Å; S153-A157 WeakPolarHBondContact O-CB 3.3Å; S153-A157 PolarHBondContact O-N 3.33Å; S153-A157 VanDerWaalsContact O-N 3.1Å
154Q56.4Low61.3Low151 Ų151103.5 Ų103.571%0.70653%0.533SS*.Hα-helixtrans-75.7-35.6172.2-84.8-170.9-24.600112.5Q150 H151 A157 K158Q150-Q154 PolarHBondContact O-N 3.37Å; H151-Q154 PolarHBondContact O-N 3.43Å; Q154-A157 PolarHBondContact O-N 3.41Å; Q154-K158 PolarHBondContact O-N 2.74Å
155S64.6Low63.2Low58 Ų58103.4 Ų103.441%0.40653%0.534SS..Hα-helixtrans-71-35.5176.1-163.10000111.4H151 V152 K158 E159H151-S155 WeakPolarHBondContact O-CA 3.32Å; H151-S155 WeakPolarHBondContact O-CB 3.4Å; H151-S155 PolarHBondContact O-N 3.29Å; V152-S155 PolarHBondContact O-N 2.9Å; S155-K158 PolarHBondContact O-N 2.74Å; S155-E159 WeakPolarHBondContact O-CB 3.34Å; S155-E159 PolarHBondContact O-N 3.42Å
156Q71.6Confident65.2Low112 Ų11299.8 Ų99.852%0.52353%0.525SS..Hα-helixtrans-67-42.7171.2-79.4176.9-26.400111.5V152 K158 E159 E160V152-Q156 HydrophobicContact CG1-CG 4.17Å; V152-Q156 WeakPolarHBondContact O-CB 3.45Å; V152-Q156 VanDerWaalsContact O-CG 3.22Å; V152-Q156 WeakPolarHBondContact O-CG 3.27Å; V152-Q156 PolarHBondContact O-N 3.17Å; Q156-K158 VanDerWaalsContact C-N 3.28Å; Q156-K158 PolarHBondContact O-N 3.12Å; Q156-E159 PolarHBondContact O-N 2.95Å; Q156-E160 VanDerWaalsContact O-CB 3.27Å; Q156-E160 WeakPolarHBondContact O-CB 3.17Å; Q156-E160 PolarHBondContact O-N 3.23Å
157A75.5Confident67.2Low59 Ų59102 Ų10249%0.48853%0.525SS..Hα-helixtrans-61.3-37.8174.200000112S153 Q154 E161S153-A157 WeakPolarHBondContact O-CB 3.3Å; S153-A157 PolarHBondContact O-N 3.33Å; S153-A157 VanDerWaalsContact O-N 3.1Å; Q154-A157 PolarHBondContact O-N 3.41Å; A157-E161 PolarHBondContact O-N 3.33Å; A157-E161 VanDerWaalsContact O-N 3.11Å
158K80.2Confident69.2Low117 Ų117100.9 Ų100.951%0.50953%0.53SS..Hα-helixtrans-72.1-41173.4-166.8-175.9177.6-85.20112.6Q154 S155 Q156 E160 E161 D162Q154-K158 PolarHBondContact O-N 2.74Å; S155-K158 PolarHBondContact O-N 2.74Å; Q156-K158 VanDerWaalsContact C-N 3.28Å; Q156-K158 PolarHBondContact O-N 3.12Å; K158-E160 VanDerWaalsContact C-N 3.31Å; K158-E160 PolarHBondContact O-N 2.91Å; K158-E161 PolarHBondContact O-N 3.46Å; K158-D162 IonicContact NZ-OD1 2.9Å; K158-D162 IonicContact NZ-OD2 2.69Å; K158-D162 PolarHBondContact NZ-OD2 2.82Å; K158-D162 WeakPolarHBondContact O-CB 3.23Å; K158-D162 PolarHBondContact O-N 2.92Å
159E77.2Confident71.3Confident120 Ų120102.2 Ų102.256%0.56153%0.531SS*.Hα-helixtrans-62.7-39.8176.8-176.4179.2-175.400110.6S155 Q156 L163S155-E159 WeakPolarHBondContact O-CB 3.34Å; S155-E159 PolarHBondContact O-N 3.42Å; Q156-E159 PolarHBondContact O-N 2.95Å; E159-L163 WeakPolarHBondContact O-CB 3.33Å; E159-L163 PolarHBondContact O-N 3.13Å
160E79.1Confident73.1Confident146 Ų14695.4 Ų95.468%0.68252%0.517SS*.Hα-helixtrans-66.2-38.2173.1-170.7172.2-168.200111.9Q156 K158 A164Q156-E160 VanDerWaalsContact O-CB 3.27Å; Q156-E160 WeakPolarHBondContact O-CB 3.17Å; Q156-E160 PolarHBondContact O-N 3.23Å; K158-E160 VanDerWaalsContact C-N 3.31Å; K158-E160 PolarHBondContact O-N 2.91Å; E160-A164 WeakPolarHBondContact O-CB 3.47Å; E160-A164 PolarHBondContact O-N 2.84Å
161E85.8Confident74.8Confident142 Ų14295.2 Ų95.266%0.66452%0.519SS*.Hα-helixtrans-67.6-49.2173.7-174.5172.6-160.700112.4A157 K158 L163 A164 Q165A157-E161 PolarHBondContact O-N 3.33Å; A157-E161 VanDerWaalsContact O-N 3.11Å; K158-E161 PolarHBondContact O-N 3.46Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.83Å; E161-A164 PolarHBondContact O-N 3.28Å; E161-Q165 WeakPolarHBondContact O-CB 3.45Å; E161-Q165 PolarHBondContact O-N 3.15Å
162D84.3Confident76.5Confident71 Ų7195.9 Ų95.938%0.3852%0.52SS..Hα-helixtrans-61.7-40.9176.9-73.9-23.8000110.8K158 Q165 A166K158-D162 IonicContact NZ-OD1 2.9Å; K158-D162 IonicContact NZ-OD2 2.69Å; K158-D162 PolarHBondContact NZ-OD2 2.82Å; K158-D162 WeakPolarHBondContact O-CB 3.23Å; K158-D162 PolarHBondContact O-N 2.92Å; D162-Q165 PolarHBondContact O-N 3.27Å; D162-A166 WeakPolarHBondContact O-CB 3.26Å; D162-A166 PolarHBondContact O-N 2.7Å
163L86.4Confident77.5Confident99 Ų9997.2 Ų97.252%0.51853%0.525SS..Hα-helixtrans-71.8-39.3178.6-173.7152.1000111.8E159 E161 Q165 A166 I167E159-L163 WeakPolarHBondContact O-CB 3.33Å; E159-L163 PolarHBondContact O-N 3.13Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.83Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.34Å; L163-A166 PolarHBondContact O-N 3.24Å; L163-I167 HydrophobicContact CD2-CD1 3.65Å; L163-I167 HydrophobicContact CD2-CG1 4.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 3.12Å
164A86.5Confident78Confident55 Ų5598.8 Ų98.846%0.45553%0.533SS..Hα-helixtrans-62.4-39.6170.800000111.5E160 E161 I167 A168E160-A164 WeakPolarHBondContact O-CB 3.47Å; E160-A164 PolarHBondContact O-N 2.84Å; E161-A164 PolarHBondContact O-N 3.28Å; A164-I167 PolarHBondContact O-N 3.34Å; A164-A168 WeakPolarHBondContact O-CB 3.43Å; A164-A168 PolarHBondContact O-N 3.23Å
165Q89.8Confident78.2Confident125 Ų12597.9 Ų97.958%0.58453%0.533SS*.Hα-helixtrans-64.8-42.1173.8-171.7175.464.200111.8E161 D162 L163 I167 A168 L169E161-Q165 WeakPolarHBondContact O-CB 3.45Å; E161-Q165 PolarHBondContact O-N 3.15Å; D162-Q165 PolarHBondContact O-N 3.27Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.34Å; Q165-I167 PolarHBondContact O-N 3.46Å; Q165-A168 PolarHBondContact O-N 2.9Å; Q165-L169 HydrophobicContact CG-CD1 4.24Å; Q165-L169 WeakPolarHBondContact O-CG 3.46Å; Q165-L169 PolarHBondContact O-N 2.94Å
166A84.8Confident77.9Confident48 Ų48100 Ų10040%0.39754%0.539SS..Hα-helixtrans-62.8-39.9176.400000112.7D162 L163 S170D162-A166 WeakPolarHBondContact O-CB 3.26Å; D162-A166 PolarHBondContact O-N 2.7Å; L163-A166 PolarHBondContact O-N 3.24Å; A166-S170 WeakPolarHBondContact O-CB 3.45Å; A166-S170 PolarHBondContact O-N 3.36Å; A166-S170 PolarHBondContact O-OG 3.28Å
167I82.2Confident77Confident94 Ų9498.9 Ų98.948%0.48254%0.544SS..Hα-helixtrans-64.4-44.4173.1-69172000110.7L163 A164 Q165 L169 S170 L171L163-I167 HydrophobicContact CD2-CD1 3.65Å; L163-I167 HydrophobicContact CD2-CG1 4.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 3.12Å; A164-I167 PolarHBondContact O-N 3.34Å; Q165-I167 PolarHBondContact O-N 3.46Å; I167-L169 PolarHBondContact O-N 3.49Å; I167-S170 PolarHBondContact O-N 3.38Å; I167-L171 HydrophobicContact CG2-CD1 4.01Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 2.94Å
168A82Confident75.8Confident59 Ų59100.4 Ų100.449%0.48856%0.556SS.*Hα-helixtrans-63.8-38.1179.100000112.9A164 Q165 K172A164-A168 WeakPolarHBondContact O-CB 3.43Å; A164-A168 PolarHBondContact O-N 3.23Å; Q165-A168 PolarHBondContact O-N 2.9Å; A168-K172 WeakPolarHBondContact O-CB 3.48Å; A168-K172 PolarHBondContact O-N 2.96Å
169L82.4Confident74Confident99 Ų9999.7 Ų99.752%0.51857%0.566SS.*Hα-helixtrans-65.5-47.5172.4-72168.5000111.4Q165 I167 L171 K172 D173Q165-L169 HydrophobicContact CG-CD1 4.24Å; Q165-L169 WeakPolarHBondContact O-CG 3.46Å; Q165-L169 PolarHBondContact O-N 2.94Å; I167-L169 PolarHBondContact O-N 3.49Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 3.28Å; L169-K172 WeakPolarHBondContact O-CB 3.27Å; L169-K172 PolarHBondContact O-N 3.2Å; L169-D173 PolarHBondContact O-N 2.82Å
170S78.2Confident72.4Confident76 Ų7699.1 Ų99.153%0.53158%0.575SS.*Hα-helixtrans-59.7-39.5-179.9-58.40000113A166 I167 T174A166-S170 WeakPolarHBondContact O-CB 3.45Å; A166-S170 PolarHBondContact O-N 3.36Å; A166-S170 PolarHBondContact O-OG 3.28Å; I167-S170 PolarHBondContact O-N 3.38Å; S170-T174 PolarHBondContact O-N 2.7Å; S170-T174 PolarHBondContact O-OG1 2.97Å
171L79.1Confident70.6Confident112 Ų112100.9 Ų100.959%0.58658%0.583SS**Hα-helixtrans-62.8-45.2172.5-76.3164000111.4I167 L169 D173 T174 D175I167-L171 HydrophobicContact CG2-CD1 4.01Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 2.94Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 3.28Å; L171-D173 PolarHBondContact O-N 3.27Å; L171-T174 WeakPolarHBondContact O-CB 3.37Å; L171-T174 PolarHBondContact O-N 3.4Å; L171-D175 PolarHBondContact O-N 2.88Å
172K77.3Confident68.5Low143 Ų143101.1 Ų101.162%0.62259%0.588SS**Hα-helixtrans-66.3-37.8-176.9-168.6135.9-174.9168.50113.7A168 L169 T174 N176A168-K172 WeakPolarHBondContact O-CB 3.48Å; A168-K172 PolarHBondContact O-N 2.96Å; L169-K172 WeakPolarHBondContact O-CB 3.27Å; L169-K172 PolarHBondContact O-N 3.2Å; K172-T174 VanDerWaalsContact C-N 3.34Å; K172-N176 PolarHBondContact O-N 3.16Å; K172-N176 PolarHBondContact O-ND2 3.4Å
173D71.1Confident66.2Low94 Ų94103.6 Ų103.650%0.50360%0.601SS.*Hα-helixtrans-75.9-24.7177.2-71.3-26.5000112.6L169 L171 S177L169-D173 PolarHBondContact O-N 2.82Å; L171-D173 PolarHBondContact O-N 3.27Å; D173-S177 VanDerWaalsContact O-CB 3.3Å; D173-S177 WeakPolarHBondContact O-CB 3.49Å; D173-S177 PolarHBondContact O-N 2.96Å; D173-S177 VanDerWaalsContact O-N 3.1Å; D173-S177 PolarHBondContact O-OG 2.93Å
174T64Low64.1Low95 Ų95107 Ų10758%0.58361%0.612SS**Hα-helixtrans-65.7-46.5170.4-57.20000111.1S170 L171 K172 N176 S177 A178S170-T174 PolarHBondContact O-N 2.7Å; S170-T174 PolarHBondContact O-OG1 2.97Å; L171-T174 WeakPolarHBondContact O-CB 3.37Å; L171-T174 PolarHBondContact O-N 3.4Å; K172-T174 VanDerWaalsContact C-N 3.34Å; T174-N176 PolarHBondContact O-N 3.26Å; T174-S177 PolarHBondContact O-N 2.91Å; T174-A178 PolarHBondContact O-N 3.21Å
175D59.9Low61.9Low132 Ų132112.2 Ų112.271%0.70663%0.627SS**Hα-helixtrans-62.9-40.4177.5-77.5-25.5000112.5L171 S177L171-D175 PolarHBondContact O-N 2.88Å; D175-S177 VanDerWaalsContact C-N 3.34Å; D175-S177 PolarHBondContact O-N 3Å
176N57.4Low59.5Low103 Ų103111.2 Ų111.255%0.55163%0.634SS**Hα-helixtrans-64.2-38.2175.6-76.2-34000112.4K172 T174 A178 S179K172-N176 PolarHBondContact O-N 3.16Å; K172-N176 PolarHBondContact O-ND2 3.4Å; T174-N176 PolarHBondContact O-N 3.26Å; N176-A178 VanDerWaalsContact C-N 3.33Å; N176-A178 PolarHBondContact O-N 2.99Å; N176-S179 PolarHBondContact O-OG 3.27Å
177S54.6Low57.3Low88 Ų88115.2 Ų115.262%0.61565%0.653SS**Hα-helixtrans-76.6-13.9-172.7-61.20000114.4D173 T174 D175 S179D173-S177 VanDerWaalsContact O-CB 3.3Å; D173-S177 WeakPolarHBondContact O-CB 3.49Å; D173-S177 PolarHBondContact O-N 2.96Å; D173-S177 VanDerWaalsContact O-N 3.1Å; D173-S177 PolarHBondContact O-OG 2.93Å; T174-S177 PolarHBondContact O-N 2.91Å; D175-S177 VanDerWaalsContact C-N 3.34Å; D175-S177 PolarHBondContact O-N 3Å; S177-S179 PolarHBondContact O-N 3.48Å
178A49Very low55.3Low91 Ų91115.4 Ų115.475%0.75266%0.663SS**THydrogen-bonded Turntrans-68.811.2-177.100000115.4T174 N176T174-A178 PolarHBondContact O-N 3.21Å; N176-A178 VanDerWaalsContact C-N 3.33Å; N176-A178 PolarHBondContact O-N 2.99Å
179S42.8Very low53.3Low102 Ų102118.6 Ų118.671%0.71368%0.676SS**THydrogen-bonded Turntrans-123.715.2-161.964.50000116.5N176 S177N176-S179 PolarHBondContact O-OG 3.27Å; S177-S179 PolarHBondContact O-N 3.48Å
180S44.3Very low51.5Low107 Ų107118.2 Ų118.275%0.74868%0.682SS**SBendtrans-139.4102.9171.154.50000117.7
181H40.3Very low49.7Very low183 Ų183121.7 Ų121.785%0.84770%0.695SS**  trans63.9112.9136.5-137.8-72.7000122.8
182L42.7Very low47.9Very low147 Ų147123.8 Ų123.877%0.7770%0.701SS**  trans-51.1151.5164.4-71.156.9000114.6
183N36.3Very low46.6Very low123 Ų123124.8 Ų124.866%0.65871%0.706SS**  -174.1126.6105.3-138.4-3.4000114.5
184K40.6Very low45.2Very low172 Ų172126.6 Ų126.675%0.74872%0.72SS**  trans47.1148.9146.7-67.7167.2-166.1174.10120.3
185Q41Very low44.3Very low163 Ų163127.2 Ų127.276%0.76273%0.728SS**  cis-163.5137.525.7-152.1164.7-43.400112.7
186S39.4Very low43.6Very low104 Ų104129.3 Ų129.373%0.72774%0.739SS**  trans56.2141.4152.2590000120.2
187V38.9Very low43.2Very low133 Ų133134.4 Ų134.481%0.80675%0.752SS**  cis-140.6161.421.1178.20000111.2
188S39.7Very low43.1Very low98 Ų98136.2 Ų136.269%0.68576%0.761SS**  trans-40.4163.4168.3-360000117
189T39.5Very low42.7Very low125 Ų125137.1 Ų137.177%0.76776%0.762SS**  cis-157.9139.322.3-30.10000113.6
190S44.7Very low42.3Very low91 Ų91138.6 Ų138.664%0.63677%0.771SS**  trans40.3127.3150.465.40000123.5
191N40.5Very low42.3Very low150 Ų150137.5 Ų137.580%0.80276%0.763SS**  trans58.6137.7131.5-67.715.9000120.2
192E42.5Very low42.3Very low155 Ų155137.4 Ų137.472%0.72476%0.763SS**  cis-130.5-154.712.9-84.5-141.1104.200113.8
193K49Very low42.2Very low164 Ų164138 Ų13871%0.71377%0.767SS**  trans-105.9165.1-154-51.8154-171.7114.60113.5
194T43.1Very low42.2Very low133 Ų133137.8 Ų137.882%0.81677%0.772SS**  trans84.7146.71485.30000121
195S44.6Very low41.9Very low107 Ų107140 Ų14075%0.74878%0.782SS**  trans74.1123.5175.271.70000117.4
196L45.7Very low41.5Very low176 Ų176139.8 Ų139.892%0.92179%0.786SS**  trans-11349.2178.3-84165000110.7
197Y48.9Very low41.5Very low211 Ų211140.5 Ų140.583%0.82779%0.791SS**  trans-139.6119.9175.6-87-82.5000110.7S199Y197-S199 PolarHBondContact O-N 2.94Å
198P51.6Low41.6Very low126 Ų126141.6 Ų141.682%0.81879%0.791SS**  trans-79.5100.3177.731.1-32.7000110.9C200P198-C200 PolarHBondContact O-N 3.29Å; P198-C200 VanDerWaalsContact O-N 3.15Å
199S40Very low41.4Very low110 Ų110141.5 Ų141.577%0.76979%0.79SS**  trans-72.7103.1171.1-175.70000110.6Y197 S201Y197-S199 PolarHBondContact O-N 2.94Å; S199-S201 PolarHBondContact O-N 2.98Å
200C36Very low41.3Very low133 Ų133140.7 Ų140.790%0.89979%0.785SS**  trans-87.284.6179.2-167.60000111.6P198P198-C200 PolarHBondContact O-N 3.29Å; P198-C200 VanDerWaalsContact O-N 3.15Å
201S42.6Very low41.1Very low84 Ų84146 Ų14659%0.58779%0.793SS**  trans-162.397.7166.439.80000113.2S199S199-S201 PolarHBondContact O-N 2.98Å
202Q40.5Very low40.9Very low180 Ų180143.9 Ų143.984%0.84179%0.79SS**  trans167.1107136.2-91.6163.135.600113.4
203L41.2Very low40.6Very low161 Ų161143.9 Ų143.984%0.84380%0.801SS**  trans63.9170.8141-54.9175.4000119.3
204P37.2Very low40.2Very low118 Ų118140.6 Ų140.677%0.76680%0.798SS**  cis-122.7149.6-27.326.5-8000113.5
205F33.8Very low39.9Very low218 Ų218140.3 Ų140.396%0.95680%0.796SS**  trans-88.3119.8170.1-100.5-94.7000111.8
206N32.7Very low39.8Very low159 Ų159139.6 Ų139.685%0.8579%0.791SS**  trans-163.394.5153.1-155.39.8000115.3
207S38.6Very low39.6Very low118 Ų118136.5 Ų136.583%0.82579%0.785SS**  trans-168.9101.1156.243.60000109.5
208L40.5Very low39.3Very low157 Ų157131.7 Ų131.782%0.82278%0.782SS**  91.479.976.8-169.469.3000113.9
209S36.9Very low38.8Very low95 Ų95132.8 Ų132.866%0.66478%0.781SS**  trans28.6125.2142.264.50000122.7
210T36.2Very low39Very low108 Ų108132.9 Ų132.966%0.66378%0.779SS**  -162.4152.3112.81.90000107.2
211Y41.9Very low38.9Very low203 Ų203132 Ų13280%0.79677%0.774SS**  cis-144146.724.4-64.1-94.5000113.9
212S35Very low38.4Very low106 Ų106137.4 Ų137.474%0.74179%0.787SS**  trans26.1115.2138.6-48.40000121.9
213T35.9Very low38Very low155 Ų155135.5 Ų135.595%0.95179%0.788SS**  -151.8156.5109.9-12.10000110.4
214S41.6Very low38Very low94 Ų94133.6 Ų133.666%0.65778%0.783SS**  trans-121.9163-168.659.80000113.1
215T37.2Very low38.4Very low127 Ų127132.7 Ų132.778%0.77978%0.775SS**  trans62.3145155.942.20000118.5
216S41.6Very low39Very low92 Ų92125.3 Ų125.364%0.64375%0.749SS**  cis175.8141.7-27.343.20000107.3
217S42.2Very low40Very low111 Ų111130.1 Ų130.178%0.77676%0.756SS**  trans44.6126.2157.858.40000119.1
218S41.6Very low41Very low110 Ų110130.7 Ų130.777%0.76975%0.749SS**  cis-170.214343.9540000114.3
219N41.4Very low42.5Very low150 Ų150125 Ų12580%0.80272%0.723SS**  trans12.1152.4142.4-85.716000122.3
220P44.1Very low44.6Very low111 Ų111125.4 Ų125.472%0.72171%0.712SS**  cis-146.7121.1-42.434.5-13.9000113.7
221S33.9Very low47.1Very low114 Ų114121.8 Ų121.880%0.79770%0.696SS**  trans-157.4104.7171.960.40000116.4
222K33.1Very low49.5Very low198 Ų198115.4 Ų115.486%0.86167%0.674SS**  trans64.8153.8165.1-56.1-179.9178.2-177.50116.4
223T32.3Very low52.3Low141 Ų141110.4 Ų110.487%0.86564%0.639SS**  trans61.3151.9-170.311.10000111.8
224T40.2Very low55.2Low120 Ų120108 Ų10874%0.73661%0.612SS**  cis-129.4146.915.451.30000112.3
225V45Very low57.7Low99 Ų99103.7 Ų103.760%0.658%0.582SS**  trans-59.6139.9158.9-74.20000110
226P48.2Very low60.4Low64 Ų64101.6 Ų101.642%0.41657%0.566SS.*  trans-64138.4173.128.2-34.6000109.6N228 S229 L256 L258P226-N228 PolarHBondContact O-N 3.04Å; P226-S229 PolarHBondContact O-N 3.05Å; P226-S229 PolarHBondContact O-OG 3.33Å; P226-L256 HydrophobicContact CG-CD2 3.44Å; P226-L256 VanDerWaalsContact CG-CD2 3.44Å; P226-L258 HydrophobicContact CG-CD2 4.36Å
227R52Low62.9Low260 Ų260104 Ų10498%0.98156%0.562SS**THydrogen-bonded Turntrans-61.95.8-171.8-102.8-178.2-177.5156.51.3116.7
228N60.5Low65.3Low130 Ų130102.5 Ų102.570%0.69555%0.545SS*.THydrogen-bonded Turntrans-128.110.9-171.4-137.398.7000113.2P226P226-N228 PolarHBondContact O-N 3.04Å
229S71Confident67.8Low37 Ų3798.6 Ų98.626%0.25952%0.515SS..  trans-77.5126.4176.857.30000112P226 G231 L257P226-S229 PolarHBondContact O-N 3.05Å; P226-S229 PolarHBondContact O-OG 3.33Å; S229-G231 PolarHBondContact O-N 3.49Å; S229-L257 CarbonylContact C-O 3.57Å; S229-L257 WeakPolarHBondContact CA-O 3.49Å; S229-L257 WeakPolarHBondContact CB-O 3.48Å
230K81.3Confident70.3Confident103 Ų10397.8 Ų97.845%0.44851%0.506SS..  trans-76.8-7.3175.8-64.2-174.5174-179.40113.7L257 D259 D260K230-L257 HydrophobicContact CB-CD2 4.04Å; K230-L257 HydrophobicContact CB-CG 4.14Å; K230-L257 PolarHBondContact N-O 2.97Å; K230-D259 WeakPolarHBondContact CE-OD1 3.48Å; K230-D259 IonicContact NZ-OD1 2.71Å; K230-D259 PolarHBondContact NZ-OD1 3.43Å; K230-D260 WeakPolarHBondContact CD-OD1 3.43Å; K230-D260 WeakPolarHBondContact CE-OD1 3.21Å; K230-D260 IonicContact NZ-OD1 3Å; K230-D260 PolarHBondContact NZ-OD1 3.26Å
231G88.7Confident72.6Confident32 Ų3294.3 Ų94.333%0.3349%0.487SS..EExtended strand (participates in β ladder)trans151-162.3173.700000112.5S229 L257S229-G231 PolarHBondContact O-N 3.49Å; G231-L257 PolarHBondContact O-N 2.88Å
232Q92.4Very high75.2Confident70 Ų7093 Ų9333%0.32748%0.482SS..EExtended strand (participates in β ladder)trans-113.4145.8166.1-71.9-170-13.900110.9L254 I255 L256 E285Q232-L254 HydrophobicContact CB-CD2 4.12Å; Q232-I255 WeakPolarHBondContact CA-O 3.49Å; Q232-L256 HydrophobicContact CG-CD1 4.12Å; Q232-E285 PolarHBondContact O-N 3.01Å
233V94.8Very high77.9Confident0 Ų089.3 Ų89.30%047%0.469CS..EExtended strand (participates in β ladder)trans-125.8141.1172.8-58.80000109.3I255 L257 W266 F277 V282 K283 R284V233-I255 HydrophobicContact CG2-CB 3.79Å; V233-I255 HydrophobicContact CG2-CD1 4.35Å; V233-I255 HydrophobicContact CG2-CG2 4.29Å; V233-I255 PolarHBondContact N-O 2.85Å; V233-I255 PolarHBondContact O-N 3.22Å; V233-L257 HydrophobicContact CG1-CB 4.22Å; V233-L257 HydrophobicContact CG1-CD2 4.16Å; V233-W266 HydrophobicContact CG1-CE3 4.36Å; V233-W266 HydrophobicContact CG1-CZ3 4.11Å; V233-F277 HydrophobicContact CG2-CE2 4.31Å; V233-F277 HydrophobicContact CG2-CZ 3.98Å; V233-V282 HydrophobicContact CB-CB 3.93Å; V233-V282 HydrophobicContact CB-CG2 3.88Å; V233-V282 HydrophobicContact CG1-CG2 4.2Å; V233-V282 HydrophobicContact CG2-CB 3.89Å; V233-V282 HydrophobicContact CG2-CG1 4.04Å; V233-V282 HydrophobicContact CG2-CG2 3.89Å; V233-K283 CarbonylContact C-O 3.31Å; V233-K283 VanDerWaalsContact CA-O 3.31Å; V233-K283 WeakPolarHBondContact CA-O 3.33Å; V233-R284 HydrophobicContact CG1-CG 3.83Å
234R95.3Very high80.5Confident104 Ų10491.1 Ų91.139%0.39247%0.473SS..EExtended strand (participates in β ladder)trans-101.7130.6175.5-174.4177.8-63.3-125-1.1109.7L236 E253 L254 V282 K283 E285R234-L236 PolarHBondContact O-N 2.93Å; R234-E253 WeakPolarHBondContact CA-O 3.45Å; R234-L254 HydrophobicContact CB-CD2 4.43Å; R234-V282 CarbonylContact O-C 3.44Å; R234-V282 VanDerWaalsContact O-CA 3.32Å; R234-V282 WeakPolarHBondContact O-CA 3.22Å; R234-K283 PolarHBondContact N-O 3.46Å; R234-K283 PolarHBondContact O-N 2.9Å; R234-E285 IonicContact CZ-OE1 2.63Å; R234-E285 IonicContact CZ-OE2 2.71Å; R234-E285 IonicContact NE-OE1 2.72Å; R234-E285 PolarHBondContact NE-OE1 3.48Å; R234-E285 IonicContact NE-OE2 2.68Å; R234-E285 PolarHBondContact NE-OE2 3.29Å; R234-E285 IonicContact NH2-OE1 2.67Å; R234-E285 PolarHBondContact NH2-OE1 2.88Å; R234-E285 IonicContact NH2-OE2 3.05Å; R234-E285 PolarHBondContact NH2-OE2 3.1Å
235A95.4Very high83Confident4 Ų489.6 Ų89.63%0.03346%0.46CS..EExtended strand (participates in β ladder)trans-61.2130.8174.100000111.5F249 K250 G252 E253A235-F249 HydrophobicContact CB-CD2 3.37Å; A235-F249 HydrophobicContact CB-CE2 3.57Å; A235-F249 HydrophobicContact CB-CG 4.3Å; A235-K250 VanDerWaalsContact CB-O 3.28Å; A235-K250 WeakPolarHBondContact CB-O 3.41Å; A235-G252 WeakPolarHBondContact O-CA 3.32Å; A235-G252 PolarHBondContact O-N 3.27Å; A235-E253 PolarHBondContact N-O 2.97Å
236L93.4Very high85.3Confident84 Ų8486.5 Ų86.544%0.4444%0.439SS..SBendtrans-88.3-31.5172.8-63.9177.6000111.8R234 F281 K283R234-L236 PolarHBondContact O-N 2.93Å; L236-F281 PolarHBondContact N-O 3.27Å; L236-K283 HydrophobicContact CD1-CB 4.28Å; L236-K283 HydrophobicContact CD2-CB 3.91Å; L236-K283 HydrophobicContact CD2-CD 4.48Å; L236-K283 HydrophobicContact CG-CB 4.15Å
237Y93.7Very high87.4Confident142 Ų14283.7 Ų83.756%0.55742%0.421SS*.SBendtrans-134.1169.4-177.9-53.1-68.6000110.5F249 F281Y237-F249 WeakPolarHBondContact O-CE2 3.48Å; Y237-F281 HydrophobicContact CD2-CD1 4.35Å; Y237-F281 HydrophobicContact CD2-CG 4.42Å
238D94.1Very high89.4Confident79 Ų7973 Ų7342%0.42239%0.386SS..  trans-69.8140.7164.8-80.19.4000110K250 A251 F281D238-K250 HydrophobicContact CB-CD 4.13Å; D238-K250 WeakPolarHBondContact OD1-CA 3.1Å; D238-K250 VanDerWaalsContact OD1-CD 3.24Å; D238-K250 WeakPolarHBondContact OD1-CD 3.34Å; D238-K250 WeakPolarHBondContact OD2-CD 3.38Å; D238-K250 WeakPolarHBondContact OD2-CE 3.43Å; D238-K250 IonicContact OD2-NZ 2.72Å; D238-K250 PolarHBondContact OD2-NZ 3.44Å; D238-A251 PolarHBondContact OD1-N 3.14Å; D238-F281 WeakPolarHBondContact O-CE1 3.21Å
239F94.1Very high91.1Very high28 Ų2866.8 Ų66.812%0.12335%0.353CS..BIsolated β-bridgetrans-135.7128.6169.8-174.8-109.3000109.3E246 L247 S248 F249 W265 F277 P278 F281F239-E246 HydrophobicContact CE1-CB 4.32Å; F239-L247 WeakPolarHBondContact CD1-O 3.44Å; F239-S248 CarbonylContact O-C 3.5Å; F239-S248 VanDerWaalsContact O-CA 3.31Å; F239-S248 WeakPolarHBondContact O-CA 3.42Å; F239-F249 HydrophobicContact CB-CD1 4.3Å; F239-F249 HydrophobicContact CB-CD2 3.99Å; F239-F249 HydrophobicContact CB-CE1 3.92Å; F239-F249 HydrophobicContact CB-CE2 3.56Å; F239-F249 HydrophobicContact CB-CG 4.35Å; F239-F249 HydrophobicContact CB-CZ 3.53Å; F239-F249 HydrophobicContact CD1-CE1 4.07Å; F239-F249 HydrophobicContact CD1-CZ 4.38Å; F239-F249 HydrophobicContact CG-CE1 4.34Å; F239-F249 HydrophobicContact CG-CZ 4.21Å; F239-F249 PolarHBondContact N-O 3.41Å; F239-F249 PolarHBondContact O-N 3.28Å; F239-W265 HydrophobicContact CZ-CH2 4.21Å; F239-W265 HydrophobicContact CZ-CZ3 4.13Å; F239-F277 HydrophobicContact CD1-CB 4.2Å; F239-F277 HydrophobicContact CE1-CB 4.24Å; F239-P278 HydrophobicContact CD2-CG 4.24Å; F239-P278 HydrophobicContact CE2-CG 3.74Å; F239-P278 HydrophobicContact CZ-CG 4.03Å; F239-F281 HydrophobicContact CB-CD1 4.01Å; F239-F281 HydrophobicContact CD2-CD1 4.08Å; F239-F281 HydrophobicContact CD2-CE1 4.09Å; F239-F281 HydrophobicContact CG-CD1 4.43Å
240E93.4Very high92.2Very high133 Ų13368.8 Ų68.862%0.62136%0.356SS*.  trans-119.7128.3177.7-65.4-173.3175.900108.1K250E240-K250 WeakPolarHBondContact OE1-CE 3.24Å; E240-K250 IonicContact OE1-NZ 3.49Å; E240-K250 PolarHBondContact OE1-NZ 2.75Å
241A91.4Very high92.7Very high38 Ų3866.6 Ų66.631%0.31436%0.358SS..  trans-65.9130.3-173.700000111.1E246 S248A241-E246 WeakPolarHBondContact CA-OE2 3.23Å; A241-E246 HydrophobicContact CB-CB 3.62Å; A241-S248 VanDerWaalsContact CB-OG 3.24Å; A241-S248 WeakPolarHBondContact CB-OG 3.38Å; A241-S248 PolarHBondContact N-OG 2.98Å
242A88.9Confident92.9Very high86 Ų8667 Ų6771%0.71136%0.361SS*.SBendtrans-86.7-33.3170.300000111.9E246A242-E246 PolarHBondContact N-OE2 3.1Å
243E89.5Confident93Very high122 Ų12265.7 Ų65.757%0.5736%0.355SS*.SBendtrans-121.2153.5-176.3-63.1-68.2162.100111.7N245 E246E243-N245 PolarHBondContact O-N 3.09Å; E243-E246 HydrophobicContact CB-CG 4.32Å; E243-E246 WeakPolarHBondContact O-CB 3.39Å; E243-E246 PolarHBondContact O-N 3.36Å
244D87.2Confident92.9Very high178 Ų17869.1 Ų69.195%0.95237%0.374SS*.THydrogen-bonded Turntrans-59.7-16.9-177.2-76.8-26.8000114.2
245N92.1Very high92.8Very high89 Ų8964.2 Ų64.248%0.47636%0.355SS..THydrogen-bonded Turntrans-91.94.2177.460-103.7000114.4E243 G275 L276E243-N245 PolarHBondContact O-N 3.09Å; N245-G275 CarbonylContact O-C 3.59Å; N245-G275 WeakPolarHBondContact O-CA 3.19Å; N245-L276 PolarHBondContact O-N 3.02Å
246E94.1Very high92.8Very high34 Ų3465.4 Ų65.416%0.15936%0.361CS..BIsolated β-bridgetrans-105.2150.8-175.8-65.7179.6171.800113.4F239 A241 A242 E243 W265 L276F239-E246 HydrophobicContact CE1-CB 4.32Å; A241-E246 WeakPolarHBondContact CA-OE2 3.23Å; A241-E246 HydrophobicContact CB-CB 3.62Å; A242-E246 PolarHBondContact N-OE2 3.1Å; E243-E246 HydrophobicContact CB-CG 4.32Å; E243-E246 WeakPolarHBondContact O-CB 3.39Å; E243-E246 PolarHBondContact O-N 3.36Å; E246-W265 HydrophobicContact CG-CZ3 4.08Å; E246-W265 VanDerWaalsContact OE1-CH2 3.24Å; E246-W265 WeakPolarHBondContact OE1-CH2 3.48Å; E246-L276 CarbonylContact C-O 3.5Å; E246-L276 VanDerWaalsContact CA-O 3.23Å; E246-L276 WeakPolarHBondContact CA-O 3.48Å
247L92.9Very high92.8Very high5 Ų561.4 Ų61.43%0.02634%0.34CS..  trans-101.9101.6-174.8-168.373.3000112.4F239 F249 I255 N270 L276 F277F239-L247 WeakPolarHBondContact CD1-O 3.44Å; L247-F249 WeakPolarHBondContact O-CD1 3.37Å; L247-F249 PolarHBondContact O-N 2.83Å; L247-I255 HydrophobicContact CD2-CG2 3.57Å; L247-N270 VanDerWaalsContact CD1-OD1 3.31Å; L247-N270 WeakPolarHBondContact CD1-OD1 3.46Å; L247-N270 HydrophobicContact CD2-CB 4.2Å; L247-L276 PolarHBondContact N-O 2.91Å; L247-F277 HydrophobicContact CB-CD1 4.14Å; L247-F277 HydrophobicContact CD2-CD1 3.96Å; L247-F277 HydrophobicContact CD2-CE1 4.18Å
248S94.5Very high92.7Very high35 Ų3556 Ų5625%0.24532%0.32CS..  trans-68.5129.3174.8-63.70000112.6F239 A241 N270 K272F239-S248 CarbonylContact O-C 3.5Å; F239-S248 VanDerWaalsContact O-CA 3.31Å; F239-S248 WeakPolarHBondContact O-CA 3.42Å; A241-S248 VanDerWaalsContact CB-OG 3.24Å; A241-S248 WeakPolarHBondContact CB-OG 3.38Å; A241-S248 PolarHBondContact N-OG 2.98Å; S248-N270 PolarHBondContact O-ND2 3.45Å; S248-K272 WeakPolarHBondContact O-CD 3.29Å; S248-K272 WeakPolarHBondContact O-CE 3.36Å; S248-K272 PolarHBondContact O-NZ 3.26Å
249F95.3Very high92.6Very high0 Ų054.9 Ų54.90%031%0.314CS..BIsolated β-bridgetrans-144.7168.9175.855.2-105.2000113.2A235 Y237 F239 L247 E253 I255 F277 F281 V282A235-F249 HydrophobicContact CB-CD2 3.37Å; A235-F249 HydrophobicContact CB-CE2 3.57Å; A235-F249 HydrophobicContact CB-CG 4.3Å; Y237-F249 WeakPolarHBondContact O-CE2 3.48Å; F239-F249 HydrophobicContact CB-CD1 4.3Å; F239-F249 HydrophobicContact CB-CD2 3.99Å; F239-F249 HydrophobicContact CB-CE1 3.92Å; F239-F249 HydrophobicContact CB-CE2 3.56Å; F239-F249 HydrophobicContact CB-CG 4.35Å; F239-F249 HydrophobicContact CB-CZ 3.53Å; F239-F249 HydrophobicContact CD1-CE1 4.07Å; F239-F249 HydrophobicContact CD1-CZ 4.38Å; F239-F249 HydrophobicContact CG-CE1 4.34Å; F239-F249 HydrophobicContact CG-CZ 4.21Å; F239-F249 PolarHBondContact N-O 3.41Å; F239-F249 PolarHBondContact O-N 3.28Å; L247-F249 WeakPolarHBondContact O-CD1 3.37Å; L247-F249 PolarHBondContact O-N 2.83Å; F249-E253 VanDerWaalsContact CA-OE2 3.24Å; F249-E253 WeakPolarHBondContact CA-OE2 3.39Å; F249-E253 HydrophobicContact CB-CB 4.4Å; F249-E253 VanDerWaalsContact CB-OE2 3.3Å; F249-E253 WeakPolarHBondContact CB-OE2 3.34Å; F249-I255 HydrophobicContact CB-CD1 4.17Å; F249-I255 HydrophobicContact CB-CG1 4.49Å; F249-I255 HydrophobicContact CD1-CD1 3.33Å; F249-I255 HydrophobicContact CD1-CG1 4.3Å; F249-I255 HydrophobicContact CD2-CD1 4.17Å; F249-I255 HydrophobicContact CE1-CD1 3.55Å; F249-I255 HydrophobicContact CE2-CD1 4.36Å; F249-I255 HydrophobicContact CG-CD1 3.65Å; F249-I255 HydrophobicContact CG-CG1 4.47Å; F249-I255 HydrophobicContact CZ-CD1 4.07Å; F249-F277 HydrophobicContact CE1-CB 3.58Å; F249-F277 HydrophobicContact CE1-CD1 4.3Å; F249-F277 HydrophobicContact CE1-CD2 4.12Å; F249-F277 AromaticContact CE1-CG 3.74Å; F249-F277 HydrophobicContact CE1-CG 3.74Å; F249-F277 HydrophobicContact CZ-CB 4.29Å; F249-F277 HydrophobicContact CZ-CD2 4.46Å; F249-F277 HydrophobicContact CZ-CG 4.47Å; F249-F281 HydrophobicContact CE2-CB 4.32Å; F249-F281 HydrophobicContact CZ-CB 3.98Å; F249-V282 HydrophobicContact CE1-CG1 4.37Å; F249-V282 HydrophobicContact CE2-CG1 4.39Å; F249-V282 HydrophobicContact CZ-CG1 3.84Å
250K93.6Very high92.5Very high78 Ų7855.6 Ų55.634%0.33932%0.32SS..  trans-114.8152.7176.6-65.8-63.3179.5-168.40112.3A235 D238 E240 G252 E253A235-K250 VanDerWaalsContact CB-O 3.28Å; A235-K250 WeakPolarHBondContact CB-O 3.41Å; D238-K250 HydrophobicContact CB-CD 4.13Å; D238-K250 WeakPolarHBondContact OD1-CA 3.1Å; D238-K250 VanDerWaalsContact OD1-CD 3.24Å; D238-K250 WeakPolarHBondContact OD1-CD 3.34Å; D238-K250 WeakPolarHBondContact OD2-CD 3.38Å; D238-K250 WeakPolarHBondContact OD2-CE 3.43Å; D238-K250 IonicContact OD2-NZ 2.72Å; D238-K250 PolarHBondContact OD2-NZ 3.44Å; E240-K250 WeakPolarHBondContact OE1-CE 3.24Å; E240-K250 IonicContact OE1-NZ 3.49Å; E240-K250 PolarHBondContact OE1-NZ 2.75Å; K250-G252 PolarHBondContact O-N 3.03Å; K250-E253 PolarHBondContact N-OE2 3.1Å; K250-E253 VanDerWaalsContact N-OE2 3.11Å; K250-E253 WeakPolarHBondContact O-CB 3.34Å; K250-E253 PolarHBondContact O-N 2.92Å
251A92.8Very high92.3Very high57 Ų5753.9 Ų53.947%0.47132%0.322SS..THydrogen-bonded Turntrans-54.3129.2-177.900000111.3D238D238-A251 PolarHBondContact OD1-N 3.14Å
252G92.1Very high92.2Very high40 Ų4055.8 Ų55.841%0.41233%0.327SS..THydrogen-bonded Turntrans84.2-6.6-173.400000116.1A235 K250A235-G252 WeakPolarHBondContact O-CA 3.32Å; A235-G252 PolarHBondContact O-N 3.27Å; K250-G252 PolarHBondContact O-N 3.03Å
253E94.3Very high92.2Very high43 Ų4360.2 Ų60.220%0.20133%0.333CS..  trans-64.6143172.2-169.1173.1179.800110.7R234 A235 F249 K250 N270 S271R234-E253 WeakPolarHBondContact CA-O 3.45Å; A235-E253 PolarHBondContact N-O 2.97Å; F249-E253 VanDerWaalsContact CA-OE2 3.24Å; F249-E253 WeakPolarHBondContact CA-OE2 3.39Å; F249-E253 HydrophobicContact CB-CB 4.4Å; F249-E253 VanDerWaalsContact CB-OE2 3.3Å; F249-E253 WeakPolarHBondContact CB-OE2 3.34Å; K250-E253 PolarHBondContact N-OE2 3.1Å; K250-E253 VanDerWaalsContact N-OE2 3.11Å; K250-E253 WeakPolarHBondContact O-CB 3.34Å; K250-E253 PolarHBondContact O-N 2.92Å; E253-N270 PolarHBondContact OE1-ND2 3.44Å; E253-S271 PolarHBondContact OE1-OG 3.16Å
254L93.2Very high92.3Very high73 Ų7359.3 Ų59.338%0.38233%0.332SS..EExtended strand (participates in β ladder)trans-93.1127175.5-92.1169.2000110.3Q232 R234 E285Q232-L254 HydrophobicContact CB-CD2 4.12Å; R234-L254 HydrophobicContact CB-CD2 4.43Å; L254-E285 WeakPolarHBondContact CD2-OE2 3.45Å
255I93.8Very high92.6Very high0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-119134-178.9-53.7157.2000107.7Q232 V233 L247 F249 N270 F277 V282Q232-I255 WeakPolarHBondContact CA-O 3.49Å; V233-I255 HydrophobicContact CG2-CB 3.79Å; V233-I255 HydrophobicContact CG2-CD1 4.35Å; V233-I255 HydrophobicContact CG2-CG2 4.29Å; V233-I255 PolarHBondContact N-O 2.85Å; V233-I255 PolarHBondContact O-N 3.22Å; L247-I255 HydrophobicContact CD2-CG2 3.57Å; F249-I255 HydrophobicContact CB-CD1 4.17Å; F249-I255 HydrophobicContact CB-CG1 4.49Å; F249-I255 HydrophobicContact CD1-CD1 3.33Å; F249-I255 HydrophobicContact CD1-CG1 4.3Å; F249-I255 HydrophobicContact CD2-CD1 4.17Å; F249-I255 HydrophobicContact CE1-CD1 3.55Å; F249-I255 HydrophobicContact CE2-CD1 4.36Å; F249-I255 HydrophobicContact CG-CD1 3.65Å; F249-I255 HydrophobicContact CG-CG1 4.47Å; F249-I255 HydrophobicContact CZ-CD1 4.07Å; I255-N270 HydrophobicContact CG1-CB 4.31Å; I255-F277 HydrophobicContact CG2-CE1 3.76Å; I255-F277 HydrophobicContact CG2-CZ 4.16Å; I255-V282 HydrophobicContact CD1-CG1 3.9Å
256L94.3Very high92.8Very high30 Ų3052.8 Ų52.816%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-80.9118.4173.1-170.674.7000109.3P226 Q232 L258 G268 S269P226-L256 HydrophobicContact CG-CD2 3.44Å; P226-L256 VanDerWaalsContact CG-CD2 3.44Å; Q232-L256 HydrophobicContact CG-CD1 4.12Å; L256-L258 HydrophobicContact CD2-CD2 4.31Å; L256-G268 CarbonylContact O-C 3.49Å; L256-G268 WeakPolarHBondContact O-CA 3.27Å; L256-S269 PolarHBondContact N-O 3.3Å; L256-S269 PolarHBondContact O-N 3.24Å
257L93.9Very high92.8Very high0 Ų053.5 Ų53.50%029%0.292CS..EExtended strand (participates in β ladder)trans-77.5124.2178.6-173.764.9000109.5S229 K230 G231 V233 D260 W266 F277S229-L257 CarbonylContact C-O 3.57Å; S229-L257 WeakPolarHBondContact CA-O 3.49Å; S229-L257 WeakPolarHBondContact CB-O 3.48Å; K230-L257 HydrophobicContact CB-CD2 4.04Å; K230-L257 HydrophobicContact CB-CG 4.14Å; K230-L257 PolarHBondContact N-O 2.97Å; G231-L257 PolarHBondContact O-N 2.88Å; V233-L257 HydrophobicContact CG1-CB 4.22Å; V233-L257 HydrophobicContact CG1-CD2 4.16Å; L257-D260 HydrophobicContact CD1-CB 4.41Å; L257-D260 HydrophobicContact CD2-CB 4.28Å; L257-W266 HydrophobicContact CD1-CB 3.81Å; L257-W266 HydrophobicContact CD1-CD2 4.13Å; L257-W266 HydrophobicContact CD1-CE3 3.86Å; L257-W266 HydrophobicContact CD1-CG 4.15Å; L257-W266 HydrophobicContact CD2-CE3 4.48Å; L257-F277 HydrophobicContact CD1-CZ 4.3Å
258L91.6Very high92.9Very high28 Ų2853.2 Ų53.215%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-108.4-39.6-179.4-66.9168.8000111.4P226 L256 L267 Q274P226-L258 HydrophobicContact CG-CD2 4.36Å; L256-L258 HydrophobicContact CD2-CD2 4.31Å; L258-L267 WeakPolarHBondContact CA-O 3.32Å; L258-L267 HydrophobicContact CB-CG 4.47Å; L258-L267 WeakPolarHBondContact CB-O 3.3Å; L258-L267 PolarHBondContact N-O 2.91Å; L258-Q274 HydrophobicContact CD1-CG 3.87Å
259D90.9Very high92.9Very high55 Ų5553.4 Ų53.429%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-146.1145.6171.5-158.75.6000112.3K230 S261 W266 L267K230-D259 WeakPolarHBondContact CE-OD1 3.48Å; K230-D259 IonicContact NZ-OD1 2.71Å; K230-D259 PolarHBondContact NZ-OD1 3.43Å; D259-S261 VanDerWaalsContact CG-OG 3.29Å; D259-S261 WeakPolarHBondContact OD1-CB 3.29Å; D259-S261 PolarHBondContact OD1-N 3Å; D259-S261 VanDerWaalsContact OD1-N 3.16Å; D259-S261 PolarHBondContact OD1-OG 2.69Å; D259-S261 PolarHBondContact OD2-OG 2.61Å; D259-W266 WeakPolarHBondContact O-CA 3.15Å; D259-L267 HydrophobicContact CB-CB 3.93Å; D259-L267 HydrophobicContact CB-CD2 4.36Å; D259-L267 PolarHBondContact N-O 3.48Å; D259-L267 PolarHBondContact O-N 3.36Å
260D91.8Very high92.8Very high44 Ų4454.4 Ų54.424%0.23530%0.298CS..  trans-133.726.5177.364.7-8000111.7K230 L257 D262 W266 R284K230-D260 WeakPolarHBondContact CD-OD1 3.43Å; K230-D260 WeakPolarHBondContact CE-OD1 3.21Å; K230-D260 IonicContact NZ-OD1 3Å; K230-D260 PolarHBondContact NZ-OD1 3.26Å; L257-D260 HydrophobicContact CD1-CB 4.41Å; L257-D260 HydrophobicContact CD2-CB 4.28Å; D260-D262 VanDerWaalsContact C-N 3.25Å; D260-D262 PolarHBondContact O-N 2.83Å; D260-W266 HydrophobicContact CB-CD2 4.02Å; D260-W266 HydrophobicContact CB-CG 3.98Å; D260-W266 HydrophobicContact CB-CZ2 4.5Å; D260-R284 IonicContact OD2-NH1 3.03Å; D260-R284 PolarHBondContact OD2-NH1 3.14Å
261S89.5Confident92.6Very high96 Ų9655.6 Ų55.667%0.67132%0.315SS*.  trans-72.6-8.6-177.7-60.80000115.1D259D259-S261 VanDerWaalsContact CG-OG 3.29Å; D259-S261 WeakPolarHBondContact OD1-CB 3.29Å; D259-S261 PolarHBondContact OD1-N 3Å; D259-S261 VanDerWaalsContact OD1-N 3.16Å; D259-S261 PolarHBondContact OD1-OG 2.69Å; D259-S261 PolarHBondContact OD2-OG 2.61Å
262D90Very high92.4Very high79 Ų7958.7 Ų58.742%0.42232%0.318SS..SBendtrans-112.6136.3168.8-177.4-64.1000108.7D260 N264 W265 W266D260-D262 VanDerWaalsContact C-N 3.25Å; D260-D262 PolarHBondContact O-N 2.83Å; D262-N264 PolarHBondContact O-N 3.23Å; D262-N264 WeakPolarHBondContact OD1-CA 3.17Å; D262-N264 WeakPolarHBondContact OD1-CB 3.19Å; D262-N264 PolarHBondContact OD1-N 2.86Å; D262-W265 PolarHBondContact OD1-N 3.13Å; D262-W266 PolarHBondContact O-NE1 3.19Å
263E89.1Confident92.2Very high178 Ų17858.4 Ų58.483%0.83232%0.316SS*.SBendtrans-65.4-26.4-176-61.3-176.4153.900113.2
264N91.9Very high92.2Very high103 Ų10362.2 Ų62.255%0.55133%0.333SS*.SBendtrans-106.1-35.4-172.4-60.9-87.8000112.3D262 P278 A279D262-N264 PolarHBondContact O-N 3.23Å; D262-N264 WeakPolarHBondContact OD1-CA 3.17Å; D262-N264 WeakPolarHBondContact OD1-CB 3.19Å; D262-N264 PolarHBondContact OD1-N 2.86Å; N264-P278 CarbonylContact O-C 3.6Å; N264-P278 VanDerWaalsContact O-CA 3.29Å; N264-P278 WeakPolarHBondContact O-CA 3.49Å; N264-A279 PolarHBondContact O-N 2.65Å
265W93.8Very high92.2Very high97 Ų9758.9 Ų58.937%0.36732%0.317SS..EExtended strand (participates in β ladder)trans-123.5111.8-173.6-71.791.7000113F239 E246 D262 L276 F277 P278F239-W265 HydrophobicContact CZ-CH2 4.21Å; F239-W265 HydrophobicContact CZ-CZ3 4.13Å; E246-W265 HydrophobicContact CG-CZ3 4.08Å; E246-W265 VanDerWaalsContact OE1-CH2 3.24Å; E246-W265 WeakPolarHBondContact OE1-CH2 3.48Å; D262-W265 PolarHBondContact OD1-N 3.13Å; W265-L276 HydrophobicContact CB-CD2 4.5Å; W265-L276 HydrophobicContact CE3-CB 4.01Å; W265-F277 CarbonylContact C-O 3.53Å; W265-F277 WeakPolarHBondContact CA-O 3.16Å; W265-F277 VanDerWaalsContact CE3-C 3.48Å; W265-P278 HydrophobicContact CE3-CG 4.41Å; W265-P278 HydrophobicContact CH2-CG 4.08Å; W265-P278 HydrophobicContact CZ2-CG 4.43Å; W265-P278 HydrophobicContact CZ3-CG 4.06Å
266W95.4Very high92.2Very high34 Ų3461.7 Ų61.713%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-99.2143.2179.4-67.2-5000111.5V233 L257 D259 D260 D262 L276 F277 A279 V282 R284V233-W266 HydrophobicContact CG1-CE3 4.36Å; V233-W266 HydrophobicContact CG1-CZ3 4.11Å; L257-W266 HydrophobicContact CD1-CB 3.81Å; L257-W266 HydrophobicContact CD1-CD2 4.13Å; L257-W266 HydrophobicContact CD1-CE3 3.86Å; L257-W266 HydrophobicContact CD1-CG 4.15Å; L257-W266 HydrophobicContact CD2-CE3 4.48Å; D259-W266 WeakPolarHBondContact O-CA 3.15Å; D260-W266 HydrophobicContact CB-CD2 4.02Å; D260-W266 HydrophobicContact CB-CG 3.98Å; D260-W266 HydrophobicContact CB-CZ2 4.5Å; D262-W266 PolarHBondContact O-NE1 3.19Å; W266-L276 CarbonylContact O-C 3.27Å; W266-L276 VanDerWaalsContact O-CA 3.3Å; W266-L276 WeakPolarHBondContact O-CA 3.33Å; W266-F277 HydrophobicContact CB-CD2 4.37Å; W266-F277 HydrophobicContact CB-CE1 4.5Å; W266-F277 HydrophobicContact CB-CE2 3.73Å; W266-F277 HydrophobicContact CB-CZ 3.81Å; W266-F277 HydrophobicContact CE3-CE2 4.23Å; W266-F277 PolarHBondContact N-O 2.99Å; W266-F277 WeakPolarHBondContact O-CD1 3.08Å; W266-F277 PolarHBondContact O-N 2.94Å; W266-A279 HydrophobicContact CD2-CB 3.69Å; W266-A279 VanDerWaalsContact CE2-CB 3.43Å; W266-A279 HydrophobicContact CE3-CB 4.24Å; W266-A279 HydrophobicContact CG-CB 4.02Å; W266-A279 HydrophobicContact CH2-CB 4.32Å; W266-A279 HydrophobicContact CZ2-CB 3.78Å; W266-V282 HydrophobicContact CE3-CG2 3.77Å; W266-V282 HydrophobicContact CZ3-CG2 3.7Å; W266-R284 HydrophobicContact CZ3-CG 4.49Å
267L94.8Very high92.3Very high48 Ų4860.2 Ų60.225%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-94.5128176-176.362.9000109.1L258 D259 Q274 L276L258-L267 WeakPolarHBondContact CA-O 3.32Å; L258-L267 HydrophobicContact CB-CG 4.47Å; L258-L267 WeakPolarHBondContact CB-O 3.3Å; L258-L267 PolarHBondContact N-O 2.91Å; D259-L267 HydrophobicContact CB-CB 3.93Å; D259-L267 HydrophobicContact CB-CD2 4.36Å; D259-L267 PolarHBondContact N-O 3.48Å; D259-L267 PolarHBondContact O-N 3.36Å; L267-Q274 HydrophobicContact CD1-CG 4.01Å; L267-Q274 HydrophobicContact CG-CG 4.5Å; L267-L276 HydrophobicContact CB-CD2 4.03Å; L267-L276 HydrophobicContact CD1-CD2 4.23Å; L267-L276 HydrophobicContact CD1-CG 4.31Å
268G94.9Very high92.3Very high0 Ų061.3 Ų61.30%033%0.331CS..EExtended strand (participates in β ladder)trans-155.4-176175.800000113.4L256 Q274 G275L256-G268 CarbonylContact O-C 3.49Å; L256-G268 WeakPolarHBondContact O-CA 3.27Å; G268-Q274 CarbonylContact O-C 3.6Å; G268-Q274 VanDerWaalsContact O-CA 3.26Å; G268-Q274 WeakPolarHBondContact O-CA 3.49Å; G268-Q274 WeakPolarHBondContact O-CG 3.46Å; G268-G275 PolarHBondContact N-O 2.87Å; G268-G275 PolarHBondContact O-N 3.03Å
269S94.6Very high92.4Very high39 Ų3960.6 Ų60.627%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-137.8139.3-177179.50000111.9L256 G273L256-S269 PolarHBondContact N-O 3.3Å; L256-S269 PolarHBondContact O-N 3.24Å; S269-G273 WeakPolarHBondContact CA-O 3.39Å; S269-G273 VanDerWaalsContact CB-O 3.32Å; S269-G273 WeakPolarHBondContact CB-O 3.34Å; S269-G273 PolarHBondContact OG-O 3.46Å
270N93Very high92.5Very high21 Ų2166 Ų6611%0.11235%0.353CS..EExtended strand (participates in β ladder)trans-133.1-163.1176.776.6-9.9000110.8L247 S248 E253 I255 K272 G273L247-N270 VanDerWaalsContact CD1-OD1 3.31Å; L247-N270 WeakPolarHBondContact CD1-OD1 3.46Å; L247-N270 HydrophobicContact CD2-CB 4.2Å; S248-N270 PolarHBondContact O-ND2 3.45Å; E253-N270 PolarHBondContact OE1-ND2 3.44Å; I255-N270 HydrophobicContact CG1-CB 4.31Å; N270-K272 PolarHBondContact O-N 2.76Å; N270-K272 WeakPolarHBondContact OD1-CB 3.5Å; N270-K272 PolarHBondContact OD1-N 2.98Å; N270-G273 PolarHBondContact N-O 3.35Å; N270-G273 VanDerWaalsContact N-O 3.08Å; N270-G273 PolarHBondContact O-N 2.85Å
271S88.6Confident92.6Very high102 Ų10267.2 Ų67.271%0.71336%0.356SS*.THydrogen-bonded Turntrans-56.1-18.4177.360.60000115.8E253E253-S271 PolarHBondContact OE1-OG 3.16Å
272K87.8Confident92.8Very high122 Ų12263.1 Ų63.153%0.5333%0.327SS..THydrogen-bonded Turntrans-107-19.1-172.1-53.5176.8-160153.70114S248 N270S248-K272 WeakPolarHBondContact O-CD 3.29Å; S248-K272 WeakPolarHBondContact O-CE 3.36Å; S248-K272 PolarHBondContact O-NZ 3.26Å; N270-K272 PolarHBondContact O-N 2.76Å; N270-K272 WeakPolarHBondContact OD1-CB 3.5Å; N270-K272 PolarHBondContact OD1-N 2.98Å
273G89.8Confident92.9Very high35 Ų3566 Ų6636%0.36134%0.335SS..EExtended strand (participates in β ladder)trans155.7-148-177.400000113.6S269 N270S269-G273 WeakPolarHBondContact CA-O 3.39Å; S269-G273 VanDerWaalsContact CB-O 3.32Å; S269-G273 WeakPolarHBondContact CB-O 3.34Å; S269-G273 PolarHBondContact OG-O 3.46Å; N270-G273 PolarHBondContact N-O 3.35Å; N270-G273 VanDerWaalsContact N-O 3.08Å; N270-G273 PolarHBondContact O-N 2.85Å
274Q92.8Very high93Very high122 Ų12264.4 Ų64.457%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-129.7139.5173.2172.6178.8-800108.7L258 L267 G268L258-Q274 HydrophobicContact CD1-CG 3.87Å; L267-Q274 HydrophobicContact CD1-CG 4.01Å; L267-Q274 HydrophobicContact CG-CG 4.5Å; G268-Q274 CarbonylContact O-C 3.6Å; G268-Q274 VanDerWaalsContact O-CA 3.26Å; G268-Q274 WeakPolarHBondContact O-CA 3.49Å; G268-Q274 WeakPolarHBondContact O-CG 3.46Å
275G94.4Very high92.5Very high3 Ų363 Ų633%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-175.2172.6-178.600000112.7N245 G268N245-G275 CarbonylContact O-C 3.59Å; N245-G275 WeakPolarHBondContact O-CA 3.19Å; G268-G275 PolarHBondContact N-O 2.87Å; G268-G275 PolarHBondContact O-N 3.03Å
276L94.3Very high91.1Very high59 Ų5965 Ų6531%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-81.8148.8177.1-68.5163.8000111.2N245 E246 L247 W265 W266 L267N245-L276 PolarHBondContact O-N 3.02Å; E246-L276 CarbonylContact C-O 3.5Å; E246-L276 VanDerWaalsContact CA-O 3.23Å; E246-L276 WeakPolarHBondContact CA-O 3.48Å; L247-L276 PolarHBondContact N-O 2.91Å; W265-L276 HydrophobicContact CB-CD2 4.5Å; W265-L276 HydrophobicContact CE3-CB 4.01Å; W266-L276 CarbonylContact O-C 3.27Å; W266-L276 VanDerWaalsContact O-CA 3.3Å; W266-L276 WeakPolarHBondContact O-CA 3.33Å; L267-L276 HydrophobicContact CB-CD2 4.03Å; L267-L276 HydrophobicContact CD1-CD2 4.23Å; L267-L276 HydrophobicContact CD1-CG 4.31Å
277F95.4Very high89.1Confident0 Ų071 Ų710%036%0.358CS..EExtended strand (participates in β ladder)trans-152157.3172.356.8-95.2000112.3V233 F239 L247 F249 I255 L257 W265 W266 A279 V282V233-F277 HydrophobicContact CG2-CE2 4.31Å; V233-F277 HydrophobicContact CG2-CZ 3.98Å; F239-F277 HydrophobicContact CD1-CB 4.2Å; F239-F277 HydrophobicContact CE1-CB 4.24Å; L247-F277 HydrophobicContact CB-CD1 4.14Å; L247-F277 HydrophobicContact CD2-CD1 3.96Å; L247-F277 HydrophobicContact CD2-CE1 4.18Å; F249-F277 HydrophobicContact CE1-CB 3.58Å; F249-F277 HydrophobicContact CE1-CD1 4.3Å; F249-F277 HydrophobicContact CE1-CD2 4.12Å; F249-F277 AromaticContact CE1-CG 3.74Å; F249-F277 HydrophobicContact CE1-CG 3.74Å; F249-F277 HydrophobicContact CZ-CB 4.29Å; F249-F277 HydrophobicContact CZ-CD2 4.46Å; F249-F277 HydrophobicContact CZ-CG 4.47Å; I255-F277 HydrophobicContact CG2-CE1 3.76Å; I255-F277 HydrophobicContact CG2-CZ 4.16Å; L257-F277 HydrophobicContact CD1-CZ 4.3Å; W265-F277 CarbonylContact C-O 3.53Å; W265-F277 WeakPolarHBondContact CA-O 3.16Å; W265-F277 VanDerWaalsContact CE3-C 3.48Å; W266-F277 HydrophobicContact CB-CD2 4.37Å; W266-F277 HydrophobicContact CB-CE1 4.5Å; W266-F277 HydrophobicContact CB-CE2 3.73Å; W266-F277 HydrophobicContact CB-CZ 3.81Å; W266-F277 HydrophobicContact CE3-CE2 4.23Å; W266-F277 PolarHBondContact N-O 2.99Å; W266-F277 WeakPolarHBondContact O-CD1 3.08Å; W266-F277 PolarHBondContact O-N 2.94Å; F277-A279 PolarHBondContact O-N 2.91Å; F277-V282 HydrophobicContact CD2-CG1 3.81Å; F277-V282 HydrophobicContact CD2-CG2 4.39Å; F277-V282 HydrophobicContact CE2-CB 4.3Å; F277-V282 HydrophobicContact CE2-CG1 3.62Å; F277-V282 HydrophobicContact CE2-CG2 3.69Å; F277-V282 HydrophobicContact CZ-CG1 4.47Å
278P94.2Very high86.5Confident23 Ų2376.3 Ų76.315%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-64.6125.4178.1-22.634.3000112.4F239 N264 W265 Q280 F281F239-P278 HydrophobicContact CD2-CG 4.24Å; F239-P278 HydrophobicContact CE2-CG 3.74Å; F239-P278 HydrophobicContact CZ-CG 4.03Å; N264-P278 CarbonylContact O-C 3.6Å; N264-P278 VanDerWaalsContact O-CA 3.29Å; N264-P278 WeakPolarHBondContact O-CA 3.49Å; W265-P278 HydrophobicContact CE3-CG 4.41Å; W265-P278 HydrophobicContact CH2-CG 4.08Å; W265-P278 HydrophobicContact CZ2-CG 4.43Å; W265-P278 HydrophobicContact CZ3-CG 4.06Å; P278-Q280 PolarHBondContact O-N 2.81Å; P278-Q280 VanDerWaalsContact O-N 3.16Å; P278-F281 HydrophobicContact CB-CB 4.48Å; P278-F281 HydrophobicContact CB-CD2 3.76Å; P278-F281 HydrophobicContact CB-CE2 4.38Å; P278-F281 HydrophobicContact CB-CG 4.35Å; P278-F281 HydrophobicContact CG-CD2 4.22Å; P278-F281 WeakPolarHBondContact O-CB 3.41Å; P278-F281 PolarHBondContact O-N 3.44Å
279A93Very high83.9Confident13 Ų1384.1 Ų84.111%0.10743%0.428CS..G310 helixtrans-54.1-36.6178.600000112.7N264 W266 F277 F281 V282N264-A279 PolarHBondContact O-N 2.65Å; W266-A279 HydrophobicContact CD2-CB 3.69Å; W266-A279 VanDerWaalsContact CE2-CB 3.43Å; W266-A279 HydrophobicContact CE3-CB 4.24Å; W266-A279 HydrophobicContact CG-CB 4.02Å; W266-A279 HydrophobicContact CH2-CB 4.32Å; W266-A279 HydrophobicContact CZ2-CB 3.78Å; F277-A279 PolarHBondContact O-N 2.91Å; A279-F281 PolarHBondContact O-N 2.86Å; A279-V282 WeakPolarHBondContact O-CG2 3.41Å; A279-V282 PolarHBondContact O-N 3.45Å
280Q93.8Very high81Confident169 Ų16985.3 Ų85.379%0.7945%0.446SS*.G310 helixtrans-67.7-15.5179.1-169.3173.4-5.900114.1P278 V282P278-Q280 PolarHBondContact O-N 2.81Å; P278-Q280 VanDerWaalsContact O-N 3.16Å; Q280-V282 VanDerWaalsContact C-N 3.34Å
281F93.7Very high78.3Confident68 Ų6891 Ų9130%0.29848%0.481SS..G310 helixtrans-87.1-2.6178.3-83.4-121.7000113.2L236 Y237 D238 F239 F249 P278 A279L236-F281 PolarHBondContact N-O 3.27Å; Y237-F281 HydrophobicContact CD2-CD1 4.35Å; Y237-F281 HydrophobicContact CD2-CG 4.42Å; D238-F281 WeakPolarHBondContact O-CE1 3.21Å; F239-F281 HydrophobicContact CB-CD1 4.01Å; F239-F281 HydrophobicContact CD2-CD1 4.08Å; F239-F281 HydrophobicContact CD2-CE1 4.09Å; F239-F281 HydrophobicContact CG-CD1 4.43Å; F249-F281 HydrophobicContact CE2-CB 4.32Å; F249-F281 HydrophobicContact CZ-CB 3.98Å; P278-F281 HydrophobicContact CB-CB 4.48Å; P278-F281 HydrophobicContact CB-CD2 3.76Å; P278-F281 HydrophobicContact CB-CE2 4.38Å; P278-F281 HydrophobicContact CB-CG 4.35Å; P278-F281 HydrophobicContact CG-CD2 4.22Å; P278-F281 WeakPolarHBondContact O-CB 3.41Å; P278-F281 PolarHBondContact O-N 3.44Å; A279-F281 PolarHBondContact O-N 2.86Å
282V93.8Very high75.6Confident10 Ų1093.6 Ų93.66%0.06149%0.487CS..EExtended strand (participates in β ladder)trans-130.5170.2-177.8-550000112.4V233 R234 F249 I255 W266 F277 A279 Q280V233-V282 HydrophobicContact CB-CB 3.93Å; V233-V282 HydrophobicContact CB-CG2 3.88Å; V233-V282 HydrophobicContact CG1-CG2 4.2Å; V233-V282 HydrophobicContact CG2-CB 3.89Å; V233-V282 HydrophobicContact CG2-CG1 4.04Å; V233-V282 HydrophobicContact CG2-CG2 3.89Å; R234-V282 CarbonylContact O-C 3.44Å; R234-V282 VanDerWaalsContact O-CA 3.32Å; R234-V282 WeakPolarHBondContact O-CA 3.22Å; F249-V282 HydrophobicContact CE1-CG1 4.37Å; F249-V282 HydrophobicContact CE2-CG1 4.39Å; F249-V282 HydrophobicContact CZ-CG1 3.84Å; I255-V282 HydrophobicContact CD1-CG1 3.9Å; W266-V282 HydrophobicContact CE3-CG2 3.77Å; W266-V282 HydrophobicContact CZ3-CG2 3.7Å; F277-V282 HydrophobicContact CD2-CG1 3.81Å; F277-V282 HydrophobicContact CD2-CG2 4.39Å; F277-V282 HydrophobicContact CE2-CB 4.3Å; F277-V282 HydrophobicContact CE2-CG1 3.62Å; F277-V282 HydrophobicContact CE2-CG2 3.69Å; F277-V282 HydrophobicContact CZ-CG1 4.47Å; A279-V282 WeakPolarHBondContact O-CG2 3.41Å; A279-V282 PolarHBondContact O-N 3.45Å; Q280-V282 VanDerWaalsContact C-N 3.34Å
283K92.8Very high73Confident140 Ų14094.7 Ų94.761%0.60950%0.499SS*.EExtended strand (participates in β ladder)trans-137.3129171.8-179.6-178.3175.7-173.50109.8V233 R234 L236 E285V233-K283 CarbonylContact C-O 3.31Å; V233-K283 VanDerWaalsContact CA-O 3.31Å; V233-K283 WeakPolarHBondContact CA-O 3.33Å; R234-K283 PolarHBondContact N-O 3.46Å; R234-K283 PolarHBondContact O-N 2.9Å; L236-K283 HydrophobicContact CD1-CB 4.28Å; L236-K283 HydrophobicContact CD2-CB 3.91Å; L236-K283 HydrophobicContact CD2-CD 4.48Å; L236-K283 HydrophobicContact CG-CB 4.15Å; K283-E285 PolarHBondContact O-N 3.15Å
284R90.8Very high70.6Confident144 Ų14498.7 Ų98.754%0.54352%0.516SS..EExtended strand (participates in β ladder)trans-55.6126.7171.3-78.4-169.2-88.2-126.54.7110V233 D260 W266V233-R284 HydrophobicContact CG1-CG 3.83Å; D260-R284 IonicContact OD2-NH1 3.03Å; D260-R284 PolarHBondContact OD2-NH1 3.14Å; W266-R284 HydrophobicContact CZ3-CG 4.49Å
285E81.5Confident67.8Low74 Ų74101.9 Ų101.935%0.34653%0.528SS..EExtended strand (participates in β ladder)trans-99.8126.1177.8-173.5151.4-153.500109.8Q232 R234 L254 K283Q232-E285 PolarHBondContact O-N 3.01Å; R234-E285 IonicContact CZ-OE1 2.63Å; R234-E285 IonicContact CZ-OE2 2.71Å; R234-E285 IonicContact NE-OE1 2.72Å; R234-E285 PolarHBondContact NE-OE1 3.48Å; R234-E285 IonicContact NE-OE2 2.68Å; R234-E285 PolarHBondContact NE-OE2 3.29Å; R234-E285 IonicContact NH2-OE1 2.67Å; R234-E285 PolarHBondContact NH2-OE1 2.88Å; R234-E285 IonicContact NH2-OE2 3.05Å; R234-E285 PolarHBondContact NH2-OE2 3.1Å; L254-E285 WeakPolarHBondContact CD2-OE2 3.45Å; K283-E285 PolarHBondContact O-N 3.15Å
286I64.2Low65.1Low140 Ų140106.7 Ų106.772%0.71856%0.561SS**PPolyproline II helixtrans-93.7121.3173.7-59.9164.1000106L288I286-L288 PolarHBondContact O-N 3.16Å
287E53.5Low62.2Low160 Ų160109.5 Ų109.575%0.74859%0.585SS**  trans-61.7105.1179.8-69.1177.6138.100110.5
288L40.3Very low59.4Low159 Ų159115 Ų11583%0.83262%0.621SS**  trans-102.357.1174.7-75.5172000110.8I286 G290I286-L288 PolarHBondContact O-N 3.16Å; L288-G290 PolarHBondContact O-N 3.23Å
289D39.7Very low56.6Low164 Ų164119.4 Ų119.488%0.87765%0.652SS**  trans-65.594.5170.7-87.8-13.7000110.1
290G34.1Very low54Low64 Ų64127.3 Ų127.366%0.6669%0.687SS**  trans-149.2-3-164.800000119.6L288L288-G290 PolarHBondContact O-N 3.23Å
291V36.2Very low51.5Low139 Ų139124.4 Ų124.484%0.84268%0.681SS**  trans55.2125.3167.5-1800000118.4N293V291-N293 PolarHBondContact O-N 3Å
292N32.3Very low48.9Very low158 Ų158125.2 Ų125.285%0.84570%0.695SS**  trans-59.6125169.1-46.5-73.9000112.7
293N33.5Very low46.4Very low145 Ų145132.1 Ų132.178%0.77573%0.726SS**  trans-161.2146.5132.4-144.4-14.3000114.2V291V291-N293 PolarHBondContact O-N 3Å
294V38.6Very low43.7Very low119 Ų119131.8 Ų131.872%0.72173%0.731SS**  trans-139.9122.8173.4170.80000109.2
295K34.8Very low41.2Very low188 Ų188130.4 Ų130.482%0.81774%0.739SS**  trans74.2101.2177.8-58.2157.5-178.91760117.3
296S37.4Very low39Very low105 Ų105133.8 Ų133.873%0.73476%0.759SS**  167.798.4124.840.10000109.1
297S32.8Very low37.9Very low117 Ų117133.1 Ų133.182%0.81876%0.762SS**  92.7149.7100.160.80000113.7
298P36.3Very low37.2Very low116 Ų116134.7 Ų134.775%0.75377%0.766SS**  trans-119.8-166.1-144.843.8-33000116
299S36.5Very low36.9Very low115 Ų115138.3 Ų138.380%0.80477%0.769SS**  trans82.1148175.5-42.90000113.3
300E38.5Very low36.6Very low179 Ų179138.2 Ų138.284%0.83677%0.768SS**  cis-147.9174.911.5-81.7-159.1107.900110
301V40.8Very low36.7Very low108 Ų108143.6 Ų143.666%0.65578%0.776SS**  cis-169.2148.2-25.5144.10000107.8
302S39.4Very low36.8Very low86 Ų86143 Ų14360%0.60178%0.775SS**  trans65.7159.8163.4-73.10000119.7
303H40Very low37Very low155 Ų155140.7 Ų140.772%0.71877%0.771SS**  cis-154.3151.8-13.1-103.2-33.8000110.7
304N35.6Very low37.5Very low133 Ų133142.9 Ų142.971%0.71177%0.774SS**  trans15.8145.6136.3-52.8-1.8000119.7
305T38.8Very low37.9Very low115 Ų115147 Ų14771%0.70678%0.782SS**  cis-163.2159.730.4-18.50000112.6
306D35.8Very low38.9Very low144 Ų144143.3 Ų143.377%0.7777%0.77SS**  trans49.3123.9154.2-64.2-44.8000123
307V40.6Very low39.9Very low127 Ų127143.6 Ų143.677%0.7777%0.767SS**  170.6132.3105.4157.40000111.3
308K39.6Very low41.4Very low192 Ų192140.7 Ų140.784%0.83575%0.745SS**  trans54.2101.1164.6-75.3172.3178.6176.90120.2
309R33.2Very low43.2Very low236 Ų236142.3 Ų142.389%0.89174%0.743SS**  25.2108.3126.1-179.8-179.3-77.8-175.1-5117.6
310N33.9Very low45.1Very low161 Ų161140.7 Ų140.786%0.86173%0.725SS**  trans-148.6162.3134.9-104.9-18.8000109.3
311Q35.9Very low47.2Very low177 Ų177135 Ų13583%0.82770%0.7SS**  trans-72.2139.5-174.7-63.8-1768.800111.7S313Q311-S313 PolarHBondContact O-N 3.05Å; Q311-S313 VanDerWaalsContact O-N 3.13Å
312P38.5Very low49.4Very low127 Ų127136.7 Ų136.783%0.82570%0.701SS**  trans-76.996.4167.731.3-31.5000109.1K314P312-K314 PolarHBondContact O-N 3.31Å; P312-K314 VanDerWaalsContact O-N 3.09Å
313S37.5Very low51.7Low110 Ų110140.2 Ų140.277%0.76971%0.705SS**  trans-53.5117.7171.5-52.20000109.5Q311 K315Q311-S313 PolarHBondContact O-N 3.05Å; Q311-S313 VanDerWaalsContact O-N 3.13Å; S313-K315 PolarHBondContact O-N 2.65Å; S313-K315 VanDerWaalsContact O-N 3.1Å
314K44.1Very low53.9Low190 Ų190135.3 Ų135.383%0.82668%0.682SS**  trans-56.7120166.9-78-177.2176.4179.30106.8P312 I316P312-K314 PolarHBondContact O-N 3.31Å; P312-K314 VanDerWaalsContact O-N 3.09Å; K314-I316 PolarHBondContact O-N 2.92Å
315K46.8Very low56.3Low206 Ų206132.5 Ų132.590%0.89667%0.666SS**  trans-6694163.3-75.7-170174.3-172.20106.9S313 V317S313-K315 PolarHBondContact O-N 2.65Å; S313-K315 VanDerWaalsContact O-N 3.1Å; K315-V317 PolarHBondContact O-N 3.06Å; K315-V317 VanDerWaalsContact O-N 3.1Å
316I55.8Low58.7Low111 Ų111130.4 Ų130.457%0.56965%0.651SS**  trans-63110.5168.9-63.5169000105.1K314 P318K314-I316 PolarHBondContact O-N 2.92Å; I316-P318 WeakPolarHBondContact O-CD 3.37Å
317V58.1Low61.1Low110 Ų110127.7 Ų127.767%0.66763%0.634SS**  trans-65.6125.7165.3-177.70000105.3K315 Q319K315-V317 PolarHBondContact O-N 3.06Å; K315-V317 VanDerWaalsContact O-N 3.1Å; V317-Q319 PolarHBondContact O-N 2.67Å
318P64.2Low63.3Low56 Ų56122.1 Ų122.136%0.36460%0.6SS.*  trans-56.1135.2174.6-22.833.9000109.1I316 A357 L361I316-P318 WeakPolarHBondContact O-CD 3.37Å; P318-A357 HydrophobicContact CB-CB 4.25Å; P318-A357 WeakPolarHBondContact CB-O 3.39Å; P318-A357 HydrophobicContact CG-CB 3.98Å; P318-L361 VanDerWaalsContact C-CD1 3.49Å; P318-L361 HydrophobicContact CB-CD1 3.91Å; P318-L361 WeakPolarHBondContact O-CD1 3.2Å
319Q72.8Confident65.6Low151 Ų151117.8 Ų117.871%0.70659%0.585SS**  trans-134.1141.9172.8-70.3-170.6-42.100106.2V317 D321 M358V317-Q319 PolarHBondContact O-N 2.67Å; Q319-D321 PolarHBondContact O-N 2.75Å; Q319-M358 WeakPolarHBondContact O-CG 3.32Å
320L78.4Confident68.2Low80 Ų80112.1 Ų112.142%0.41956%0.564SS.*  trans-69.1106.2-179.3-170.463.6000109.3I325 M358 V362 E365L320-I325 HydrophobicContact CD1-CD1 4.21Å; L320-M358 HydrophobicContact CD1-CB 4.18Å; L320-M358 HydrophobicContact CD1-SD 4.46Å; L320-V362 HydrophobicContact CD1-CG2 3.84Å; L320-E365 HydrophobicContact CD2-CB 4.46Å; L320-E365 HydrophobicContact CD2-CG 4.48Å
321D82Confident70.6Confident59 Ų59105 Ų10532%0.31653%0.526SS..  trans-121.696.7-175.2-173-5.9000109.4Q319 K323 K324 I325 M358Q319-D321 PolarHBondContact O-N 2.75Å; D321-K323 PolarHBondContact O-N 2.76Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-K323 PolarHBondContact OD1-N 2.76Å; D321-K324 HydrophobicContact CB-CD 4.08Å; D321-K324 HydrophobicContact CB-CG 4.16Å; D321-K324 PolarHBondContact O-N 3.4Å; D321-K324 VanDerWaalsContact OD2-CE 3.26Å; D321-K324 WeakPolarHBondContact OD2-CE 3.39Å; D321-I325 PolarHBondContact O-N 3.39Å; D321-M358 HydrophobicContact CB-SD 4.19Å; D321-M358 PolarHBondContact N-SD 2.85Å
322E86.4Confident72.9Confident145 Ų145101 Ų10168%0.67851%0.509SS*.Hα-helixtrans-44.6-41.7178.6-175.4177.3-15200112.2K324 I325 D326E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 2.99Å; E322-I325 WeakPolarHBondContact O-CB 3.46Å; E322-I325 PolarHBondContact O-N 3.48Å; E322-I325 VanDerWaalsContact O-N 3.1Å; E322-D326 PolarHBondContact O-N 3.45Å
323K87.9Confident75Confident159 Ų15999.5 Ų99.569%0.69150%0.498SS*.Hα-helixtrans-66.9-29.9-175.7-61.9178.8-177.8176.20113.4D321 E327D321-K323 PolarHBondContact O-N 2.76Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-K323 PolarHBondContact OD1-N 2.76Å; K323-E327 VanDerWaalsContact O-CB 3.28Å; K323-E327 WeakPolarHBondContact O-CB 3.43Å; K323-E327 PolarHBondContact O-N 3.37Å
324K86Confident77Confident52 Ų5298.6 Ų98.623%0.22649%0.488CS..Hα-helixtrans-75.1-33.6175.7-66.4-177.7-174.7-177.10111.5D321 E322 C328 L351 E354 M358D321-K324 HydrophobicContact CB-CD 4.08Å; D321-K324 HydrophobicContact CB-CG 4.16Å; D321-K324 PolarHBondContact O-N 3.4Å; D321-K324 VanDerWaalsContact OD2-CE 3.26Å; D321-K324 WeakPolarHBondContact OD2-CE 3.39Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 2.99Å; K324-C328 WeakPolarHBondContact O-CB 3.39Å; K324-C328 PolarHBondContact O-N 3.4Å; K324-L351 HydrophobicContact CB-CD2 4.03Å; K324-L351 HydrophobicContact CG-CD2 4.17Å; K324-E354 WeakPolarHBondContact CE-OE2 3.28Å; K324-E354 IonicContact NZ-OE2 3.85Å; K324-E354 PolarHBondContact NZ-OE2 3.21Å; K324-M358 HydrophobicContact CB-CE 3.99Å
325I87.5Confident78.5Confident74 Ų7491.2 Ų91.238%0.37946%0.459SS..Hα-helixtrans-67.5-46.8174.2-54.9176.8000109L320 D321 E322 C328 L329 M358L320-I325 HydrophobicContact CD1-CD1 4.21Å; D321-I325 PolarHBondContact O-N 3.39Å; E322-I325 WeakPolarHBondContact O-CB 3.46Å; E322-I325 PolarHBondContact O-N 3.48Å; E322-I325 VanDerWaalsContact O-N 3.1Å; I325-C328 PolarHBondContact O-N 2.99Å; I325-L329 VanDerWaalsContact O-CB 3.31Å; I325-L329 WeakPolarHBondContact O-CB 3.49Å; I325-L329 PolarHBondContact O-N 3.1Å; I325-M358 HydrophobicContact CD1-CE 4.19Å; I325-M358 HydrophobicContact CG1-CE 3.57Å
326D88.2Confident79.8Confident71 Ų7182.8 Ų82.838%0.3842%0.423SS..Hα-helixtrans-59.8-44.9173.9-75.1-25000112.4E322 L329 R330E322-D326 PolarHBondContact O-N 3.45Å; D326-L329 PolarHBondContact O-N 3.45Å; D326-R330 VanDerWaalsContact O-CB 3.27Å; D326-R330 WeakPolarHBondContact O-CB 3.48Å; D326-R330 PolarHBondContact O-N 2.73Å
327E86.8Confident80.6Confident88 Ų8883.9 Ų83.941%0.41144%0.437SS..Hα-helixtrans-69.9-38.5179.5-177.1155.6-133.800112.6K323 R330 L331 L351K323-E327 VanDerWaalsContact O-CB 3.28Å; K323-E327 WeakPolarHBondContact O-CB 3.43Å; K323-E327 PolarHBondContact O-N 3.37Å; E327-R330 WeakPolarHBondContact O-CB 3.49Å; E327-R330 PolarHBondContact O-N 2.71Å; E327-R330 IonicContact OE1-NH2 2.82Å; E327-R330 PolarHBondContact OE1-NH2 2.77Å; E327-L331 WeakPolarHBondContact O-CG 3.32Å; E327-L331 PolarHBondContact O-N 3.47Å; E327-L351 HydrophobicContact CB-CD1 4.47Å; E327-L351 HydrophobicContact CG-CD1 3.84Å
328C87.1Confident81.1Confident9 Ų982.9 Ų82.96%0.06143%0.432CS..Hα-helixtrans-60.8-48.3172.2-1700000110.6K324 I325 R330 L331 I332 L351K324-C328 WeakPolarHBondContact O-CB 3.39Å; K324-C328 PolarHBondContact O-N 3.4Å; I325-C328 PolarHBondContact O-N 2.99Å; C328-R330 VanDerWaalsContact C-N 3.34Å; C328-R330 PolarHBondContact O-N 2.69Å; C328-L331 PolarHBondContact O-N 3.26Å; C328-L331 VanDerWaalsContact O-N 3.16Å; C328-I332 VanDerWaalsContact O-CG1 3.29Å; C328-I332 WeakPolarHBondContact O-CG1 2.99Å; C328-I332 PolarHBondContact O-N 3.27Å; C328-L351 HydrophobicContact CB-CB 4.1Å
329L87.8Confident81.2Confident102 Ų10282.5 Ų82.553%0.53444%0.438SS..Hα-helixtrans-62.1-39.5176.6-171.967000112.2I325 D326 T333I325-L329 VanDerWaalsContact O-CB 3.31Å; I325-L329 WeakPolarHBondContact O-CB 3.49Å; I325-L329 PolarHBondContact O-N 3.1Å; D326-L329 PolarHBondContact O-N 3.45Å; L329-T333 WeakPolarHBondContact O-CB 3.4Å; L329-T333 WeakPolarHBondContact O-CG2 3.42Å; L329-T333 PolarHBondContact O-N 2.93Å; L329-T333 PolarHBondContact O-OG1 3.02Å
330R87.9Confident80.7Confident116 Ų11682.5 Ų82.544%0.43844%0.438SS..Hα-helixtrans-61.5-42.6173.1-174.4-165.963.870.4-6.3111.7D326 E327 C328 T333 T334D326-R330 VanDerWaalsContact O-CB 3.27Å; D326-R330 WeakPolarHBondContact O-CB 3.48Å; D326-R330 PolarHBondContact O-N 2.73Å; E327-R330 WeakPolarHBondContact O-CB 3.49Å; E327-R330 PolarHBondContact O-N 2.71Å; E327-R330 IonicContact OE1-NH2 2.82Å; E327-R330 PolarHBondContact OE1-NH2 2.77Å; C328-R330 VanDerWaalsContact C-N 3.34Å; C328-R330 PolarHBondContact O-N 2.69Å; R330-T333 WeakPolarHBondContact CA-OG1 3.27Å; R330-T333 PolarHBondContact O-OG1 2.73Å; R330-T334 WeakPolarHBondContact O-CG2 3.31Å; R330-T334 PolarHBondContact O-N 3.42Å; R330-T334 PolarHBondContact O-OG1 3.3Å; R330-T334 VanDerWaalsContact O-OG1 3.1Å
331L83.6Confident79.9Confident12 Ų1287 Ų876%0.06345%0.454CS..Hα-helixtrans-66.9-51176.8-72.8174.4000110.8E327 C328 T333 T334 V335 P345 E347 L348 L351E327-L331 WeakPolarHBondContact O-CG 3.32Å; E327-L331 PolarHBondContact O-N 3.47Å; C328-L331 PolarHBondContact O-N 3.26Å; C328-L331 VanDerWaalsContact O-N 3.16Å; L331-T333 PolarHBondContact O-N 3.05Å; L331-T334 CarbonylContact O-C 3.52Å; L331-T334 WeakPolarHBondContact O-CA 3.5Å; L331-T334 PolarHBondContact O-N 3.35Å; L331-T334 PolarHBondContact O-OG1 3.26Å; L331-V335 PolarHBondContact O-N 3.04Å; L331-V335 VanDerWaalsContact O-N 3.15Å; L331-P345 HydrophobicContact CD2-CG 4.19Å; L331-E347 HydrophobicContact CD1-CB 4.46Å; L331-L348 HydrophobicContact CB-CD1 3.99Å; L331-L348 HydrophobicContact CD1-CB 4.3Å; L331-L351 HydrophobicContact CD1-CD1 3.56Å
332I84.7Confident79.1Confident93 Ų9390.2 Ų90.248%0.47747%0.467SS..Hα-helixtrans-52.9-42.2177.8-67.9166.6000111.5C328 T334 L348C328-I332 VanDerWaalsContact O-CG1 3.29Å; C328-I332 WeakPolarHBondContact O-CG1 2.99Å; C328-I332 PolarHBondContact O-N 3.27Å; I332-T334 PolarHBondContact O-N 2.92Å; I332-L348 HydrophobicContact CD1-CD1 4.46Å; I332-L348 HydrophobicContact CG1-CD1 3.7Å
333T82.1Confident78.3Confident95 Ų9591.6 Ų91.658%0.58347%0.474SS*.THydrogen-bonded Turntrans-75.9-0.2178.350.60000115.1L329 R330 L331L329-T333 WeakPolarHBondContact O-CB 3.4Å; L329-T333 WeakPolarHBondContact O-CG2 3.42Å; L329-T333 PolarHBondContact O-N 2.93Å; L329-T333 PolarHBondContact O-OG1 3.02Å; R330-T333 WeakPolarHBondContact CA-OG1 3.27Å; R330-T333 PolarHBondContact O-OG1 2.73Å; L331-T333 PolarHBondContact O-N 3.05Å
334T80.2Confident77.6Confident92 Ų9288.6 Ų88.656%0.56447%0.465SS*.THydrogen-bonded Turntrans-119.1-3.9175.857.40000114.5R330 L331 I332R330-T334 WeakPolarHBondContact O-CG2 3.31Å; R330-T334 PolarHBondContact O-N 3.42Å; R330-T334 PolarHBondContact O-OG1 3.3Å; R330-T334 VanDerWaalsContact O-OG1 3.1Å; L331-T334 CarbonylContact O-C 3.52Å; L331-T334 WeakPolarHBondContact O-CA 3.5Å; L331-T334 PolarHBondContact O-N 3.35Å; L331-T334 PolarHBondContact O-OG1 3.26Å; I332-T334 PolarHBondContact O-N 2.92Å
335V74.7Confident77.2Confident35 Ų3587.9 Ų87.921%0.21247%0.466CS..SBendtrans-77.7143.2176165.10000110.7L331 P337 D344 L348L331-V335 PolarHBondContact O-N 3.04Å; L331-V335 VanDerWaalsContact O-N 3.15Å; V335-P337 WeakPolarHBondContact O-CD 3.45Å; V335-D344 VanDerWaalsContact CG1-OD1 3.29Å; V335-D344 WeakPolarHBondContact CG1-OD1 3.15Å; V335-L348 HydrophobicContact CG2-CD2 3.9Å
336D73.9Confident76.7Confident28 Ų2889.5 Ų89.515%0.1548%0.481CS..  trans-71.5112.8170.8169.720.2000109.7T338 G339 E340 F341 Q342D336-T338 PolarHBondContact O-N 3.36Å; D336-T338 WeakPolarHBondContact OD1-CA 3.35Å; D336-T338 WeakPolarHBondContact OD1-CB 3.43Å; D336-T338 PolarHBondContact OD1-N 2.98Å; D336-T338 PolarHBondContact OD1-OG1 2.9Å; D336-G339 PolarHBondContact O-N 3.12Å; D336-G339 PolarHBondContact OD2-N 2.93Å; D336-E340 PolarHBondContact OD2-N 2.86Å; D336-F341 PolarHBondContact OD2-N 2.69Å; D336-Q342 HydrophobicContact CB-CB 4.11Å
337P72.3Confident76.4Confident134 Ų13492.1 Ų92.187%0.8749%0.491SS*.THydrogen-bonded Turntrans-66.4-10.4-179.530.2-36.7000113.4V335V335-P337 WeakPolarHBondContact O-CD 3.45Å
338T69.8Low76.3Confident90 Ų9088.8 Ų88.855%0.55248%0.476SS*.THydrogen-bonded Turntrans-86.9-25.7175.3-19.10000112.3D336 E340D336-T338 PolarHBondContact O-N 3.36Å; D336-T338 WeakPolarHBondContact OD1-CA 3.35Å; D336-T338 WeakPolarHBondContact OD1-CB 3.43Å; D336-T338 PolarHBondContact OD1-N 2.98Å; D336-T338 PolarHBondContact OD1-OG1 2.9Å; T338-E340 HydrophobicContact CG2-CB 4.47Å; T338-E340 HydrophobicContact CG2-CG 3.92Å; T338-E340 PolarHBondContact O-N 2.99Å
339G64.6Low76.1Confident47 Ų4791.8 Ų91.849%0.48550%0.497SS..SBendtrans6312.9-171.900000115.1D336D336-G339 PolarHBondContact O-N 3.12Å; D336-G339 PolarHBondContact OD2-N 2.93Å
340E62.6Low76Confident152 Ų15292.6 Ų92.671%0.7150%0.498SS*.SBendtrans-88.3-33.9-176.4-71.9-163.8154.700112.3D336 T338D336-E340 PolarHBondContact OD2-N 2.86Å; T338-E340 HydrophobicContact CG2-CB 4.47Å; T338-E340 HydrophobicContact CG2-CG 3.92Å; T338-E340 PolarHBondContact O-N 2.99Å
341F62.2Low76Confident174 Ų17488 Ų8876%0.76348%0.483SS*.SBendtrans-101.8-25.8-173.9-60.3-78.5000113.4D336D336-F341 PolarHBondContact OD2-N 2.69Å
342Q65Low76.1Confident126 Ų12692.8 Ų92.859%0.58950%0.504SS*.  trans-142.5124.2-174.8-167.972.36000109.1D336D336-Q342 HydrophobicContact CB-CB 4.11Å
343Q68.8Low76.3Confident174 Ų17491.1 Ų91.181%0.81351%0.505SS*.PPolyproline II helixtrans-77.3144.2167.5-70.4-173.4-3100110.1
344D73.8Confident76.5Confident96 Ų9688.5 Ų88.551%0.51349%0.486SS..PPolyproline II helixtrans-53.5131.1178-60.8-31.1000111.4V335V335-D344 VanDerWaalsContact CG1-OD1 3.29Å; V335-D344 WeakPolarHBondContact CG1-OD1 3.15Å
345P77Confident76.9Confident37 Ų3785.3 Ų85.324%0.2447%0.467CS..PPolyproline II helixtrans-67134.9175.126.7-30.9000109.1L331 E347 L348L331-P345 HydrophobicContact CD2-CG 4.19Å; P345-E347 PolarHBondContact O-N 2.99Å; P345-L348 HydrophobicContact CG-CB 4.07Å; P345-L348 VanDerWaalsContact O-CB 3.28Å; P345-L348 WeakPolarHBondContact O-CB 3.39Å; P345-L348 PolarHBondContact O-N 3.24Å
346P78.1Confident77.5Confident108 Ų10888.2 Ų88.270%0.70149%0.485SS*.Hα-helixtrans-63.1-18.9-17726.3-35.6000113.2L348 Q350P346-L348 VanDerWaalsContact C-N 3.3Å; P346-Q350 PolarHBondContact O-N 3.47Å
347E82.7Confident78.2Confident126 Ų12688.9 Ų88.959%0.58949%0.494SS*.Hα-helixtrans-62.3-34.4171.2-65.5162.4172.100112L331 P345 Q350 L351L331-E347 HydrophobicContact CD1-CB 4.46Å; P345-E347 PolarHBondContact O-N 2.99Å; E347-Q350 PolarHBondContact O-N 2.96Å; E347-L351 WeakPolarHBondContact O-CB 3.48Å; E347-L351 WeakPolarHBondContact O-CG 3.02Å; E347-L351 PolarHBondContact O-N 3.47Å
348L82.9Confident78.9Confident18 Ų1882.9 Ų82.99%0.09446%0.455CS..Hα-helixtrans-63.5-48.8177.7174.461.8000111.4L331 I332 V335 P345 P346 Q350 L351 E352L331-L348 HydrophobicContact CB-CD1 3.99Å; L331-L348 HydrophobicContact CD1-CB 4.3Å; I332-L348 HydrophobicContact CD1-CD1 4.46Å; I332-L348 HydrophobicContact CG1-CD1 3.7Å; V335-L348 HydrophobicContact CG2-CD2 3.9Å; P345-L348 HydrophobicContact CG-CB 4.07Å; P345-L348 VanDerWaalsContact O-CB 3.28Å; P345-L348 WeakPolarHBondContact O-CB 3.39Å; P345-L348 PolarHBondContact O-N 3.24Å; P346-L348 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.3Å; L348-L351 PolarHBondContact O-N 3.36Å; L348-L351 VanDerWaalsContact O-N 3.16Å; L348-E352 WeakPolarHBondContact O-CB 3.19Å; L348-E352 PolarHBondContact O-N 2.82Å
349S83.3Confident79.8Confident72 Ų7283.3 Ų83.350%0.50346%0.457SS..Hα-helixtrans-64.3-29.4-180-49.50000112.7A353S349-A353 WeakPolarHBondContact O-CB 3.34Å; S349-A353 PolarHBondContact O-N 3.32Å
350Q86.8Confident80.9Confident119 Ų11985.3 Ų85.356%0.55646%0.462SS*.Hα-helixtrans-73.5-46171.6-176.2176.4-24.900111.5P346 E347 L348 A353 E354P346-Q350 PolarHBondContact O-N 3.47Å; E347-Q350 PolarHBondContact O-N 2.96Å; L348-Q350 PolarHBondContact O-N 3.3Å; Q350-A353 PolarHBondContact O-N 2.89Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.4Å; Q350-E354 PolarHBondContact NE2-OE1 2.84Å; Q350-E354 WeakPolarHBondContact O-CG 3.47Å; Q350-E354 PolarHBondContact O-N 3.37Å
351L86.3Confident82.1Confident20 Ų2080.9 Ų80.911%0.10544%0.443CS..Hα-helixtrans-65.1-37.3179-79.5163.8000112.5K324 E327 C328 L331 E347 L348 E354 C355K324-L351 HydrophobicContact CB-CD2 4.03Å; K324-L351 HydrophobicContact CG-CD2 4.17Å; E327-L351 HydrophobicContact CB-CD1 4.47Å; E327-L351 HydrophobicContact CG-CD1 3.84Å; C328-L351 HydrophobicContact CB-CB 4.1Å; L331-L351 HydrophobicContact CD1-CD1 3.56Å; E347-L351 WeakPolarHBondContact O-CB 3.48Å; E347-L351 WeakPolarHBondContact O-CG 3.02Å; E347-L351 PolarHBondContact O-N 3.47Å; L348-L351 PolarHBondContact O-N 3.36Å; L348-L351 VanDerWaalsContact O-N 3.16Å; L351-E354 PolarHBondContact O-N 3.38Å; L351-C355 WeakPolarHBondContact O-CB 3.41Å; L351-C355 PolarHBondContact O-N 3.49Å; L351-C355 PolarHBondContact O-SG 3.11Å
352E87.4Confident83.3Confident112 Ų11275.2 Ų75.252%0.52342%0.422SS..Hα-helixtrans-60.8-49.8171.2-175.1-173.8-165.300110.8L348 E354 C355 V356L348-E352 WeakPolarHBondContact O-CB 3.19Å; L348-E352 PolarHBondContact O-N 2.82Å; E352-E354 VanDerWaalsContact C-N 3.31Å; E352-E354 PolarHBondContact O-N 2.89Å; E352-C355 WeakPolarHBondContact O-CB 3.48Å; E352-C355 PolarHBondContact O-N 3.28Å; E352-C355 VanDerWaalsContact O-N 3.14Å; E352-V356 WeakPolarHBondContact O-CG2 3.37Å; E352-V356 PolarHBondContact O-N 3.42Å
353A87.6Confident84.4Confident59 Ų5973.9 Ų73.949%0.48842%0.419SS..Hα-helixtrans-62-37.1177.600000112.7S349 Q350 A357S349-A353 WeakPolarHBondContact O-CB 3.34Å; S349-A353 PolarHBondContact O-N 3.32Å; Q350-A353 PolarHBondContact O-N 2.89Å; A353-A357 WeakPolarHBondContact O-CB 3.11Å; A353-A357 PolarHBondContact O-N 2.8Å
354E87.3Confident85.4Confident39 Ų3968.8 Ų68.818%0.18240%0.401CS..Hα-helixtrans-69.8-37.5173.4-71.9-172.5-145.700111.9K324 Q350 L351 E352 A357 M358K324-E354 WeakPolarHBondContact CE-OE2 3.28Å; K324-E354 IonicContact NZ-OE2 3.85Å; K324-E354 PolarHBondContact NZ-OE2 3.21Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.4Å; Q350-E354 PolarHBondContact NE2-OE1 2.84Å; Q350-E354 WeakPolarHBondContact O-CG 3.47Å; Q350-E354 PolarHBondContact O-N 3.37Å; L351-E354 PolarHBondContact O-N 3.38Å; E352-E354 VanDerWaalsContact C-N 3.31Å; E352-E354 PolarHBondContact O-N 2.89Å; E354-A357 PolarHBondContact O-N 3Å; E354-M358 WeakPolarHBondContact O-CG 3.48Å; E354-M358 PolarHBondContact O-N 2.86Å; E354-M358 VanDerWaalsContact O-N 3.07Å
355C87.7Confident86.1Confident25 Ų2568.8 Ų68.817%0.16940%0.398CS..Hα-helixtrans-63.6-46.5172.5-75.80000112.5L351 E352 A357 M358 V359L351-C355 WeakPolarHBondContact O-CB 3.41Å; L351-C355 PolarHBondContact O-N 3.49Å; L351-C355 PolarHBondContact O-SG 3.11Å; E352-C355 WeakPolarHBondContact O-CB 3.48Å; E352-C355 PolarHBondContact O-N 3.28Å; E352-C355 VanDerWaalsContact O-N 3.14Å; C355-A357 VanDerWaalsContact C-N 3.26Å; C355-A357 PolarHBondContact O-N 2.9Å; C355-M358 HydrophobicContact CB-CE 4.29Å; C355-M358 WeakPolarHBondContact O-CB 3.24Å; C355-M358 PolarHBondContact O-N 2.82Å; C355-V359 PolarHBondContact O-N 2.8Å
356V87.9Confident86.7Confident96 Ų9671.4 Ų71.458%0.58241%0.409SS*.Hα-helixtrans-59.9-37.8174.1172.10000110.9E352 M358 V359E352-V356 WeakPolarHBondContact O-CG2 3.37Å; E352-V356 PolarHBondContact O-N 3.42Å; V356-M358 VanDerWaalsContact C-N 3.28Å; V356-M358 PolarHBondContact O-N 2.89Å; V356-V359 PolarHBondContact O-N 2.91Å
357A88.9Confident87.3Confident43 Ų4371 Ų7136%0.35540%0.396SS..Hα-helixtrans-70-18.8174.700000114.3P318 A353 E354 C355P318-A357 HydrophobicContact CB-CB 4.25Å; P318-A357 WeakPolarHBondContact CB-O 3.39Å; P318-A357 HydrophobicContact CG-CB 3.98Å; A353-A357 WeakPolarHBondContact O-CB 3.11Å; A353-A357 PolarHBondContact O-N 2.8Å; E354-A357 PolarHBondContact O-N 3Å; C355-A357 VanDerWaalsContact C-N 3.26Å; C355-A357 PolarHBondContact O-N 2.9Å
358M87.2Confident87.7Confident7 Ų769.5 Ų69.53%0.03439%0.392CS..Hα-helixtrans-84.2-25.9174.2-72.6-175.1-68.700113.5Q319 L320 D321 K324 I325 E354 C355 V356 P360 L361Q319-M358 WeakPolarHBondContact O-CG 3.32Å; L320-M358 HydrophobicContact CD1-CB 4.18Å; L320-M358 HydrophobicContact CD1-SD 4.46Å; D321-M358 HydrophobicContact CB-SD 4.19Å; D321-M358 PolarHBondContact N-SD 2.85Å; K324-M358 HydrophobicContact CB-CE 3.99Å; I325-M358 HydrophobicContact CD1-CE 4.19Å; I325-M358 HydrophobicContact CG1-CE 3.57Å; E354-M358 WeakPolarHBondContact O-CG 3.48Å; E354-M358 PolarHBondContact O-N 2.86Å; E354-M358 VanDerWaalsContact O-N 3.07Å; C355-M358 HydrophobicContact CB-CE 4.29Å; C355-M358 WeakPolarHBondContact O-CB 3.24Å; C355-M358 PolarHBondContact O-N 2.82Å; V356-M358 VanDerWaalsContact C-N 3.28Å; V356-M358 PolarHBondContact O-N 2.89Å; M358-P360 VanDerWaalsContact C-CD 3.47Å; M358-L361 WeakPolarHBondContact O-CB 3.38Å; M358-L361 PolarHBondContact O-N 2.85Å
359V87.5Confident88Confident99 Ų9971.8 Ų71.860%0.641%0.406SS*.Hα-helixtrans-50.4-44.6-177.4179.20000113.5C355 V356 L361 V362C355-V359 PolarHBondContact O-N 2.8Å; V356-V359 PolarHBondContact O-N 2.91Å; V359-L361 PolarHBondContact O-N 3.46Å; V359-L361 VanDerWaalsContact O-N 3.1Å; V359-V362 PolarHBondContact O-N 3.31Å
360P87.4Confident88.5Confident90 Ų9072.6 Ų72.658%0.58441%0.405SS*.Hα-helixtrans-67-10.3179.4-20.834.6000115.2M358 P364M358-P360 VanDerWaalsContact C-CD 3.47Å; P360-P364 WeakPolarHBondContact O-CD 3.3Å
361L88.3Confident88.8Confident59 Ų5973 Ų7331%0.30941%0.405SS..Hα-helixtrans-94.7-21179.9-56.5-179.4000113.4P318 M358 V359 D363 P364 E365P318-L361 VanDerWaalsContact C-CD1 3.49Å; P318-L361 HydrophobicContact CB-CD1 3.91Å; P318-L361 WeakPolarHBondContact O-CD1 3.2Å; M358-L361 WeakPolarHBondContact O-CB 3.38Å; M358-L361 PolarHBondContact O-N 2.85Å; V359-L361 PolarHBondContact O-N 3.46Å; V359-L361 VanDerWaalsContact O-N 3.1Å; L361-D363 VanDerWaalsContact C-N 3.32Å; L361-D363 PolarHBondContact O-N 2.82Å; L361-P364 WeakPolarHBondContact O-CD 3.46Å; L361-E365 WeakPolarHBondContact O-CB 3.48Å; L361-E365 PolarHBondContact O-N 3.46Å; L361-E365 VanDerWaalsContact O-N 3.12Å
362V88.4Confident89.2Confident55 Ų5578 Ų7833%0.33343%0.428SS..Hα-helixtrans-61.2-44.4177.1-1780000110.5L320 V359 E365 L366L320-V362 HydrophobicContact CD1-CG2 3.84Å; V359-V362 PolarHBondContact O-N 3.31Å; V362-E365 PolarHBondContact O-N 3.49Å; V362-L366 HydrophobicContact CG1-CD1 3.8Å; V362-L366 HydrophobicContact CG1-CG 4.2Å; V362-L366 WeakPolarHBondContact O-CB 3.47Å; V362-L366 VanDerWaalsContact O-CG 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 3.06Å
363D87.5Confident89.5Confident97 Ų9777.2 Ų77.252%0.51943%0.426SS..Hα-helixtrans-65.2-41.9-176.5-124.350.8000114L361 K367L361-D363 VanDerWaalsContact C-N 3.32Å; L361-D363 PolarHBondContact O-N 2.82Å; D363-K367 WeakPolarHBondContact O-CD 3.32Å; D363-K367 VanDerWaalsContact O-CG 3.24Å; D363-K367 WeakPolarHBondContact O-CG 3.47Å; D363-K367 PolarHBondContact O-NZ 3.24Å; D363-K367 IonicContact OD1-NZ 3.13Å; D363-K367 IonicContact OD2-NZ 2.73Å; D363-K367 PolarHBondContact OD2-NZ 2.97Å
364P89.3Confident89.7Confident67 Ų6779.9 Ų79.944%0.43543%0.431SS..Hα-helixtrans-62.2-45166.4-27.835.6000114.2P360 L361 K367 L368P360-P364 WeakPolarHBondContact O-CD 3.3Å; L361-P364 WeakPolarHBondContact O-CD 3.46Å; P364-K367 CarbonylContact O-C 3.39Å; P364-K367 PolarHBondContact O-N 2.91Å; P364-K367 VanDerWaalsContact O-N 3.15Å; P364-L368 PolarHBondContact O-N 2.89Å; P364-L368 VanDerWaalsContact O-N 3.13Å
365E89.2Confident90.1Very high97 Ų9783.7 Ų83.745%0.45345%0.45SS..Hα-helixtrans-69-42.4-173.3-157.866.4-170.500111.5L320 L361 V362 K367 L368 V369L320-E365 HydrophobicContact CD2-CB 4.46Å; L320-E365 HydrophobicContact CD2-CG 4.48Å; L361-E365 WeakPolarHBondContact O-CB 3.48Å; L361-E365 PolarHBondContact O-N 3.46Å; L361-E365 VanDerWaalsContact O-N 3.12Å; V362-E365 PolarHBondContact O-N 3.49Å; E365-K367 PolarHBondContact O-N 3.46Å; E365-L368 WeakPolarHBondContact O-CA 3.18Å; E365-L368 WeakPolarHBondContact O-CB 3.45Å; E365-L368 PolarHBondContact O-N 3.49Å; E365-V369 WeakPolarHBondContact O-CG2 3.48Å; E365-V369 PolarHBondContact O-N 3.3Å
366L89.6Confident90.4Very high91 Ų9187.9 Ų87.948%0.47647%0.471SS..Hα-helixtrans-54.4-41.5170.2-73171.9000111.7V362 L368 V369 D370V362-L366 HydrophobicContact CG1-CD1 3.8Å; V362-L366 HydrophobicContact CG1-CG 4.2Å; V362-L366 WeakPolarHBondContact O-CB 3.47Å; V362-L366 VanDerWaalsContact O-CG 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 3.06Å; L366-L368 VanDerWaalsContact C-N 3.25Å; L366-L368 PolarHBondContact O-N 3.37Å; L366-V369 PolarHBondContact O-N 2.68Å; L366-D370 WeakPolarHBondContact O-CB 3.46Å; L366-D370 PolarHBondContact O-N 2.86Å
367K91.1Very high90.7Very high100 Ų10087.5 Ų87.544%0.43547%0.469SS..Hα-helixtrans-73.9-10.7177.6-66.6175.7-167.981.80114D363 P364 E365 K371D363-K367 WeakPolarHBondContact O-CD 3.32Å; D363-K367 VanDerWaalsContact O-CG 3.24Å; D363-K367 WeakPolarHBondContact O-CG 3.47Å; D363-K367 PolarHBondContact O-NZ 3.24Å; D363-K367 IonicContact OD1-NZ 3.13Å; D363-K367 IonicContact OD2-NZ 2.73Å; D363-K367 PolarHBondContact OD2-NZ 2.97Å; P364-K367 CarbonylContact O-C 3.39Å; P364-K367 PolarHBondContact O-N 2.91Å; P364-K367 VanDerWaalsContact O-N 3.15Å; E365-K367 PolarHBondContact O-N 3.46Å; K367-K371 VanDerWaalsContact O-CD 3.27Å; K367-K371 WeakPolarHBondContact O-CD 3.48Å; K367-K371 WeakPolarHBondContact O-CE 3.38Å; K367-K371 VanDerWaalsContact O-CG 3.3Å; K367-K371 WeakPolarHBondContact O-CG 3.31Å
368L91.2Very high91Very high94 Ų9490.1 Ų90.149%0.49247%0.473SS..Hα-helixtrans-87.4-45.3166.8-66.7176.8000110.3P364 E365 L366 D370 K371 E372P364-L368 PolarHBondContact O-N 2.89Å; P364-L368 VanDerWaalsContact O-N 3.13Å; E365-L368 WeakPolarHBondContact O-CA 3.18Å; E365-L368 WeakPolarHBondContact O-CB 3.45Å; E365-L368 PolarHBondContact O-N 3.49Å; L366-L368 VanDerWaalsContact C-N 3.25Å; L366-L368 PolarHBondContact O-N 3.37Å; L368-D370 PolarHBondContact O-N 3.28Å; L368-K371 WeakPolarHBondContact O-CB 3.26Å; L368-K371 PolarHBondContact O-N 2.78Å; L368-K371 VanDerWaalsContact O-N 3.15Å; L368-E372 PolarHBondContact O-N 2.82Å
369V89.3Confident91.3Very high66 Ų6694.9 Ų94.940%0.450%0.499SS..Hα-helixtrans-59.3-45175.4173.90000111.6E365 L366 K371 E372 I373E365-V369 WeakPolarHBondContact O-CG2 3.48Å; E365-V369 PolarHBondContact O-N 3.3Å; L366-V369 PolarHBondContact O-N 2.68Å; V369-K371 VanDerWaalsContact C-N 3.3Å; V369-K371 PolarHBondContact O-N 2.84Å; V369-E372 PolarHBondContact O-N 3.2Å; V369-E372 VanDerWaalsContact O-N 3.13Å; V369-I373 HydrophobicContact CG1-CD1 3.82Å; V369-I373 HydrophobicContact CG1-CG1 4.4Å; V369-I373 VanDerWaalsContact O-CG1 3.32Å; V369-I373 WeakPolarHBondContact O-CG1 3.02Å; V369-I373 PolarHBondContact O-N 2.71Å
370D92.3Very high91.7Very high90 Ų9094.4 Ų94.448%0.48149%0.493SS..Hα-helixtrans-57.9-41.2174.9-77.7-24.9000112L366 L368 I373 I374L366-D370 WeakPolarHBondContact O-CB 3.46Å; L366-D370 PolarHBondContact O-N 2.86Å; L368-D370 PolarHBondContact O-N 3.28Å; D370-I373 PolarHBondContact O-N 2.78Å; D370-I374 WeakPolarHBondContact O-CD1 3.43Å; D370-I374 VanDerWaalsContact O-CG1 3.23Å; D370-I374 WeakPolarHBondContact O-CG1 3.3Å; D370-I374 PolarHBondContact O-N 3.25Å
371K93.9Very high92Very high126 Ų12694.9 Ų94.955%0.54849%0.487SS..Hα-helixtrans-67.6-39.5176.3-72.7172-173.6168.40111.6K367 L368 V369 I374 M375K367-K371 VanDerWaalsContact O-CD 3.27Å; K367-K371 WeakPolarHBondContact O-CD 3.48Å; K367-K371 WeakPolarHBondContact O-CE 3.38Å; K367-K371 VanDerWaalsContact O-CG 3.3Å; K367-K371 WeakPolarHBondContact O-CG 3.31Å; L368-K371 WeakPolarHBondContact O-CB 3.26Å; L368-K371 PolarHBondContact O-N 2.78Å; L368-K371 VanDerWaalsContact O-N 3.15Å; V369-K371 VanDerWaalsContact C-N 3.3Å; V369-K371 PolarHBondContact O-N 2.84Å; K371-I374 PolarHBondContact O-N 2.9Å; K371-M375 WeakPolarHBondContact O-CB 3.48Å; K371-M375 VanDerWaalsContact O-CG 3.31Å; K371-M375 WeakPolarHBondContact O-CG 3.3Å; K371-M375 PolarHBondContact O-N 3.33Å
372E93.9Very high92.3Very high127 Ų12799.2 Ų99.259%0.59350%0.499SS*.Hα-helixtrans-65.6-41.6175.9-171.6168.9-169.400111.3L368 V369 I374 M375 L376L368-E372 PolarHBondContact O-N 2.82Å; V369-E372 PolarHBondContact O-N 3.2Å; V369-E372 VanDerWaalsContact O-N 3.13Å; E372-I374 VanDerWaalsContact C-N 3.35Å; E372-I374 PolarHBondContact O-N 3.3Å; E372-M375 PolarHBondContact O-N 2.97Å; E372-L376 WeakPolarHBondContact O-CB 3.24Å; E372-L376 PolarHBondContact O-N 3.16Å
373I93.2Very high92.7Very high94 Ų94100.7 Ų100.748%0.48251%0.505SS..Hα-helixtrans-59.1-44.9172.7-69.4167000110.9V369 D370 T377V369-I373 HydrophobicContact CG1-CD1 3.82Å; V369-I373 HydrophobicContact CG1-CG1 4.4Å; V369-I373 VanDerWaalsContact O-CG1 3.32Å; V369-I373 WeakPolarHBondContact O-CG1 3.02Å; V369-I373 PolarHBondContact O-N 2.71Å; D370-I373 PolarHBondContact O-N 2.78Å; I373-T377 VanDerWaalsContact O-CB 3.29Å; I373-T377 WeakPolarHBondContact O-CB 3.42Å; I373-T377 PolarHBondContact O-N 2.89Å; I373-T377 PolarHBondContact O-OG1 3.29Å
374I93.5Very high93Very high116 Ų116100.1 Ų100.160%0.59550%0.501SS*.Hα-helixtrans-63.6-48.7176.7-69.8163.7000110.9D370 K371 E372 L376 T377 E378D370-I374 WeakPolarHBondContact O-CD1 3.43Å; D370-I374 VanDerWaalsContact O-CG1 3.23Å; D370-I374 WeakPolarHBondContact O-CG1 3.3Å; D370-I374 PolarHBondContact O-N 3.25Å; K371-I374 PolarHBondContact O-N 2.9Å; E372-I374 VanDerWaalsContact C-N 3.35Å; E372-I374 PolarHBondContact O-N 3.3Å; I374-L376 PolarHBondContact O-N 2.82Å; I374-T377 PolarHBondContact O-N 2.84Å; I374-E378 PolarHBondContact O-N 3.32Å
375M94.2Very high93.3Very high118 Ų118100.9 Ų100.958%0.58150%0.502SS*.Hα-helixtrans-62.9-40.2178.7-73.2-171.9-57.500112.5K371 E372 E378 L379K371-M375 WeakPolarHBondContact O-CB 3.48Å; K371-M375 VanDerWaalsContact O-CG 3.31Å; K371-M375 WeakPolarHBondContact O-CG 3.3Å; K371-M375 PolarHBondContact O-N 3.33Å; E372-M375 PolarHBondContact O-N 2.97Å; M375-E378 PolarHBondContact O-N 2.74Å; M375-L379 VanDerWaalsContact O-CB 3.3Å; M375-L379 WeakPolarHBondContact O-CB 3.44Å; M375-L379 PolarHBondContact O-N 3.25Å
376L93.7Very high93.5Very high114 Ų11498.8 Ų98.860%0.59750%0.501SS*.Hα-helixtrans-69.5-36.1178-173.662.4000111.4E372 I374 N380E372-L376 WeakPolarHBondContact O-CB 3.24Å; E372-L376 PolarHBondContact O-N 3.16Å; I374-L376 PolarHBondContact O-N 2.82Å; L376-N380 VanDerWaalsContact O-CB 3.29Å; L376-N380 WeakPolarHBondContact O-CB 3.15Å; L376-N380 PolarHBondContact O-N 3.48Å
377T94.7Very high93.7Very high88 Ų8899.9 Ų99.954%0.5450%0.502SS..Hα-helixtrans-65-44.1172.5-58.50000111.1I373 I374 N380 Q381I373-T377 VanDerWaalsContact O-CB 3.29Å; I373-T377 WeakPolarHBondContact O-CB 3.42Å; I373-T377 PolarHBondContact O-N 2.89Å; I373-T377 PolarHBondContact O-OG1 3.29Å; I374-T377 PolarHBondContact O-N 2.84Å; T377-N380 PolarHBondContact O-N 2.71Å; T377-Q381 PolarHBondContact O-N 3.1Å
378E94.7Very high93.8Very high97 Ų97101.2 Ų101.245%0.45351%0.51SS..Hα-helixtrans-64.6-43.7175.8-162.1-163.6167.300111.8I374 M375 N380 Q381 R382I374-E378 PolarHBondContact O-N 3.32Å; M375-E378 PolarHBondContact O-N 2.74Å; E378-N380 VanDerWaalsContact C-N 3.32Å; E378-N380 PolarHBondContact O-N 3.02Å; E378-Q381 PolarHBondContact O-N 3.24Å; E378-R382 WeakPolarHBondContact O-CG 3.45Å; E378-R382 PolarHBondContact O-N 2.78Å; E378-R382 IonicContact OE1-CZ 3.52Å; E378-R382 IonicContact OE1-NE 2.73Å; E378-R382 PolarHBondContact OE1-NE 2.97Å; E378-R382 IonicContact OE1-NH2 3.44Å; E378-R382 PolarHBondContact OE1-NH2 3.33Å; E378-R382 IonicContact OE2-NH2 2.67Å
379L94.8Very high93.8Very high108 Ų108101.8 Ų101.857%0.56551%0.513SS*.Hα-helixtrans-60.9-41.6176.2-179.661.6000111.6M375 R382 L383M375-L379 VanDerWaalsContact O-CB 3.3Å; M375-L379 WeakPolarHBondContact O-CB 3.44Å; M375-L379 PolarHBondContact O-N 3.25Å; L379-R382 PolarHBondContact O-N 2.98Å; L379-L383 WeakPolarHBondContact O-CB 3.36Å; L379-L383 PolarHBondContact O-N 2.99Å
380N94.8Very high93.9Very high89 Ų89105.3 Ų105.348%0.47652%0.52SS..Hα-helixtrans-64.9-40.1175.2-177.358.8000112.1L376 T377 E378 L383 L384L376-N380 VanDerWaalsContact O-CB 3.29Å; L376-N380 WeakPolarHBondContact O-CB 3.15Å; L376-N380 PolarHBondContact O-N 3.48Å; T377-N380 PolarHBondContact O-N 2.71Å; E378-N380 VanDerWaalsContact C-N 3.32Å; E378-N380 PolarHBondContact O-N 3.02Å; N380-L383 PolarHBondContact O-N 3Å; N380-L384 WeakPolarHBondContact O-CG 3.41Å; N380-L384 PolarHBondContact O-N 2.66Å
381Q95.1Very high93.8Very high99 Ų99106.9 Ų106.946%0.46352%0.524SS..Hα-helixtrans-63-49.3173.6-174.559.952.800111.3T377 E378 L383 L384 D385T377-Q381 PolarHBondContact O-N 3.1Å; E378-Q381 PolarHBondContact O-N 3.24Å; Q381-L383 PolarHBondContact O-N 3.16Å; Q381-L384 PolarHBondContact O-N 3.2Å; Q381-L384 VanDerWaalsContact O-N 3.09Å; Q381-D385 PolarHBondContact NE2-OD1 2.89Å; Q381-D385 PolarHBondContact O-N 3.22Å
382R94.7Very high93.5Very high150 Ų150103.8 Ų103.857%0.56651%0.514SS*.Hα-helixtrans-57.8-34.8176.5-68.6172179.9-158.76.6112.4E378 L379 A386E378-R382 WeakPolarHBondContact O-CG 3.45Å; E378-R382 PolarHBondContact O-N 2.78Å; E378-R382 IonicContact OE1-CZ 3.52Å; E378-R382 IonicContact OE1-NE 2.73Å; E378-R382 PolarHBondContact OE1-NE 2.97Å; E378-R382 IonicContact OE1-NH2 3.44Å; E378-R382 PolarHBondContact OE1-NH2 3.33Å; E378-R382 IonicContact OE2-NH2 2.67Å; L379-R382 PolarHBondContact O-N 2.98Å; R382-A386 WeakPolarHBondContact O-CB 3.07Å; R382-A386 PolarHBondContact O-N 3.29Å
383L95.5Very high93.3Very high86 Ų86101.4 Ų101.445%0.4550%0.504SS..Hα-helixtrans-68.9-43.6175.3178.263000112L379 N380 Q381 A386 F387L379-L383 WeakPolarHBondContact O-CB 3.36Å; L379-L383 PolarHBondContact O-N 2.99Å; N380-L383 PolarHBondContact O-N 3Å; Q381-L383 PolarHBondContact O-N 3.16Å; L383-A386 PolarHBondContact O-N 2.97Å; L383-F387 HydrophobicContact CD1-CD2 4.11Å; L383-F387 HydrophobicContact CD1-CE2 3.59Å; L383-F387 HydrophobicContact CD1-CZ 4.05Å; L383-F387 HydrophobicContact CD2-CE2 4.16Å; L383-F387 HydrophobicContact CG-CD2 4.01Å; L383-F387 HydrophobicContact CG-CE2 3.63Å; L383-F387 WeakPolarHBondContact O-CD2 3.29Å; L383-F387 PolarHBondContact O-N 2.84Å
384L94.2Very high92.8Very high85 Ų85102.2 Ų102.245%0.44551%0.507SS..Hα-helixtrans-63.8-43.2174.9-70.2168.6000111.5N380 Q381 A386 F387 Q388N380-L384 WeakPolarHBondContact O-CG 3.41Å; N380-L384 PolarHBondContact O-N 2.66Å; Q381-L384 PolarHBondContact O-N 3.2Å; Q381-L384 VanDerWaalsContact O-N 3.09Å; L384-A386 VanDerWaalsContact C-N 3.32Å; L384-A386 PolarHBondContact O-N 3.04Å; L384-F387 PolarHBondContact O-N 2.95Å; L384-Q388 WeakPolarHBondContact O-CB 3.49Å; L384-Q388 PolarHBondContact O-N 2.71Å
385D94.8Very high92.3Very high83 Ų83100.5 Ų100.544%0.44451%0.506SS..Hα-helixtrans-60.2-41.9174.9-62.3-21.2000111.2Q381 Q388 L389Q381-D385 PolarHBondContact NE2-OD1 2.89Å; Q381-D385 PolarHBondContact O-N 3.22Å; D385-Q388 PolarHBondContact O-N 2.84Å; D385-L389 WeakPolarHBondContact O-CB 3.41Å; D385-L389 PolarHBondContact O-N 3.46Å
386A94.3Very high91.4Very high53 Ų53103.2 Ų103.244%0.43851%0.51SS..Hα-helixtrans-66.3-40.4176.800000112.9R382 L383 L384 Q388 Y390R382-A386 WeakPolarHBondContact O-CB 3.07Å; R382-A386 PolarHBondContact O-N 3.29Å; L383-A386 PolarHBondContact O-N 2.97Å; L384-A386 VanDerWaalsContact C-N 3.32Å; L384-A386 PolarHBondContact O-N 3.04Å; A386-Q388 VanDerWaalsContact C-N 3.35Å; A386-Y390 WeakPolarHBondContact O-CB 3.36Å; A386-Y390 PolarHBondContact O-N 2.9Å
387F94.8Very high89.8Confident115 Ų115104.6 Ų104.650%0.50451%0.513SS..Hα-helixtrans-62.8-41.6171.4-77.2-55.4000111.6L383 L384 Y390 H391L383-F387 HydrophobicContact CD1-CD2 4.11Å; L383-F387 HydrophobicContact CD1-CE2 3.59Å; L383-F387 HydrophobicContact CD1-CZ 4.05Å; L383-F387 HydrophobicContact CD2-CE2 4.16Å; L383-F387 HydrophobicContact CG-CD2 4.01Å; L383-F387 HydrophobicContact CG-CE2 3.63Å; L383-F387 WeakPolarHBondContact O-CD2 3.29Å; L383-F387 PolarHBondContact O-N 2.84Å; L384-F387 PolarHBondContact O-N 2.95Å; F387-Y390 PolarHBondContact O-N 3.08Å; F387-H391 PolarHBondContact O-CD2 2.85Å; F387-H391 PolarHBondContact O-N 3.34Å
388Q92.6Very high87.6Confident127 Ų127105.8 Ų105.859%0.59352%0.516SS*.Hα-helixtrans-69.6-36.1-179.7-167.6150.6-0.400112.1L384 D385 A386 H391 D392L384-Q388 WeakPolarHBondContact O-CB 3.49Å; L384-Q388 PolarHBondContact O-N 2.71Å; D385-Q388 PolarHBondContact O-N 2.84Å; A386-Q388 VanDerWaalsContact C-N 3.35Å; Q388-H391 PolarHBondContact O-N 2.88Å; Q388-D392 PolarHBondContact O-N 3.07Å
389L92Very high85.5Confident106 Ų106106.5 Ų106.556%0.55553%0.529SS*.Hα-helixtrans-63.5-44169.8-178.167.5000112D385 H391 D392 I393D385-L389 WeakPolarHBondContact O-CB 3.41Å; D385-L389 PolarHBondContact O-N 3.46Å; L389-H391 VanDerWaalsContact C-N 3.35Å; L389-H391 PolarHBondContact O-N 3Å; L389-D392 PolarHBondContact O-N 3.07Å; L389-I393 HydrophobicContact CD1-CD1 4.18Å; L389-I393 HydrophobicContact CG-CD1 3.97Å; L389-I393 WeakPolarHBondContact O-CG1 3.23Å; L389-I393 PolarHBondContact O-N 2.63Å
390Y91.3Very high83.3Confident141 Ų141105.7 Ų105.755%0.55353%0.532SS*.Hα-helixtrans-59.5-44.9175.1173.6-98.5000111.6A386 F387 I393 M394A386-Y390 WeakPolarHBondContact O-CB 3.36Å; A386-Y390 PolarHBondContact O-N 2.9Å; F387-Y390 PolarHBondContact O-N 3.08Å; Y390-I393 PolarHBondContact O-N 2.87Å; Y390-M394 VanDerWaalsContact O-CB 3.24Å; Y390-M394 WeakPolarHBondContact O-CB 3.24Å; Y390-M394 PolarHBondContact O-N 3Å
391H89.3Confident81.1Confident122 Ų122108.6 Ų108.657%0.56555%0.548SS*.Hα-helixtrans-65.4-39.4176.4-77.3-60.4000113.1F387 Q388 L389 S395F387-H391 PolarHBondContact O-CD2 2.85Å; F387-H391 PolarHBondContact O-N 3.34Å; Q388-H391 PolarHBondContact O-N 2.88Å; L389-H391 VanDerWaalsContact C-N 3.35Å; L389-H391 PolarHBondContact O-N 3Å; H391-S395 VanDerWaalsContact O-CB 3.31Å; H391-S395 WeakPolarHBondContact O-CB 3.31Å; H391-S395 PolarHBondContact O-N 3.25Å; H391-S395 PolarHBondContact O-OG 3.11Å
392D88.1Confident78.9Confident61 Ų61108.7 Ų108.733%0.32657%0.566SS.*Hα-helixtrans-61.9-50.1174.3179.976000111.2Q388 L389 M394 S395 R396Q388-D392 PolarHBondContact O-N 3.07Å; L389-D392 PolarHBondContact O-N 3.07Å; D392-M394 PolarHBondContact O-N 3.43Å; D392-S395 PolarHBondContact O-N 3.48Å; D392-S395 PolarHBondContact O-OG 2.79Å; D392-R396 VanDerWaalsContact CG-NE 3.26Å; D392-R396 WeakPolarHBondContact O-CG 3.48Å; D392-R396 PolarHBondContact O-N 2.93Å; D392-R396 IonicContact OD1-CZ 3.57Å; D392-R396 IonicContact OD1-NE 2.69Å; D392-R396 PolarHBondContact OD1-NE 2.85Å; D392-R396 VanDerWaalsContact OD1-NE 3.12Å; D392-R396 IonicContact OD1-NH2 2.71Å; D392-R396 PolarHBondContact OD1-NH2 3.48Å; D392-R396 IonicContact OD2-CZ 3.12Å; D392-R396 IonicContact OD2-NE 3.95Å; D392-R396 PolarHBondContact OD2-NE 3Å; D392-R396 IonicContact OD2-NH2 2.69Å; D392-R396 PolarHBondContact OD2-NH2 2.72Å
393I88.6Confident76.7Confident78 Ų78112.3 Ų112.340%0.458%0.581SS.*Hα-helixtrans-58.8-47.7177-67167.8000111.1L389 Y390 S395 R396 Q397L389-I393 HydrophobicContact CD1-CD1 4.18Å; L389-I393 HydrophobicContact CG-CD1 3.97Å; L389-I393 WeakPolarHBondContact O-CG1 3.23Å; L389-I393 PolarHBondContact O-N 2.63Å; Y390-I393 PolarHBondContact O-N 2.87Å; I393-S395 VanDerWaalsContact C-N 3.3Å; I393-S395 PolarHBondContact O-N 3.4Å; I393-R396 PolarHBondContact O-N 2.89Å; I393-Q397 WeakPolarHBondContact O-CG 3.47Å; I393-Q397 PolarHBondContact O-N 3.48Å; I393-Q397 VanDerWaalsContact O-N 3.12Å
394M82.5Confident74.3Confident110 Ų110118.5 Ų118.554%0.54260%0.6SS.*Hα-helixtrans-64.1-34.2179.9-166.967-177.700112Y390 D392Y390-M394 VanDerWaalsContact O-CB 3.24Å; Y390-M394 WeakPolarHBondContact O-CB 3.24Å; Y390-M394 PolarHBondContact O-N 3Å; D392-M394 PolarHBondContact O-N 3.43Å
395S83.6Confident71.8Confident81 Ų81122.8 Ų122.857%0.56662%0.623SS**Hα-helixtrans-70.3-36.6174.577.90000112.9H391 D392 I393H391-S395 VanDerWaalsContact O-CB 3.31Å; H391-S395 WeakPolarHBondContact O-CB 3.31Å; H391-S395 PolarHBondContact O-N 3.25Å; H391-S395 PolarHBondContact O-OG 3.11Å; D392-S395 PolarHBondContact O-N 3.48Å; D392-S395 PolarHBondContact O-OG 2.79Å; I393-S395 VanDerWaalsContact C-N 3.3Å; I393-S395 PolarHBondContact O-N 3.4Å
396R74.4Confident69.2Low175 Ų175122.2 Ų122.266%0.6664%0.637SS**Hα-helixtrans-73.4-26.9179.9-71.3177.7-165.7-78.7-14.3113.6D392 I393 N398D392-R396 VanDerWaalsContact CG-NE 3.26Å; D392-R396 WeakPolarHBondContact O-CG 3.48Å; D392-R396 PolarHBondContact O-N 2.93Å; D392-R396 IonicContact OD1-CZ 3.57Å; D392-R396 IonicContact OD1-NE 2.69Å; D392-R396 PolarHBondContact OD1-NE 2.85Å; D392-R396 VanDerWaalsContact OD1-NE 3.12Å; D392-R396 IonicContact OD1-NH2 2.71Å; D392-R396 PolarHBondContact OD1-NH2 3.48Å; D392-R396 IonicContact OD2-CZ 3.12Å; D392-R396 IonicContact OD2-NE 3.95Å; D392-R396 PolarHBondContact OD2-NE 3Å; D392-R396 IonicContact OD2-NH2 2.69Å; D392-R396 PolarHBondContact OD2-NH2 2.72Å; I393-R396 PolarHBondContact O-N 2.89Å; R396-N398 PolarHBondContact O-N 3.22Å
397Q61.1Low66.7Low143 Ų143128.7 Ų128.767%0.66866%0.661SS**THydrogen-bonded Turntrans-76.46.9-178-75.5-171.1-4.300114.8I393 P399I393-Q397 WeakPolarHBondContact O-CG 3.47Å; I393-Q397 PolarHBondContact O-N 3.48Å; I393-Q397 VanDerWaalsContact O-N 3.12Å; Q397-P399 VanDerWaalsContact O-CD 3.24Å; Q397-P399 WeakPolarHBondContact O-CD 3.24Å
398N49Very low64.2Low112 Ų112128.5 Ų128.560%0.59967%0.673SS**  trans-115.855.6-177.6-157.92.4000115.5R396 S400R396-N398 PolarHBondContact O-N 3.22Å; N398-S400 PolarHBondContact O-N 3.19Å
399P50Low61.9Low113 Ų113129.8 Ų129.873%0.73468%0.684SS**  trans-76.9-2174.433.9-36000113.8Q397Q397-P399 VanDerWaalsContact O-CD 3.24Å; Q397-P399 WeakPolarHBondContact O-CD 3.24Å
400S49Very low59.6Low90 Ų90131.3 Ų131.363%0.62970%0.698SS**THydrogen-bonded Turntrans-106.455.6-162.252.50000114.5N398N398-S400 PolarHBondContact O-N 3.19Å
401N48.4Very low57.3Low150 Ų150132 Ų13280%0.80271%0.71SS**THydrogen-bonded Turntrans-154.70.2164.4-117.4-23.1000116.4Y403N401-Y403 PolarHBondContact O-N 2.83Å
402A48.8Very low54.9Low101 Ų101132.5 Ų132.584%0.83572%0.721SS**THydrogen-bonded Turntrans-85.53-169.300000116.1
403Y47.7Very low52.6Low226 Ų226134.1 Ų134.189%0.88674%0.738SS**THydrogen-bonded Turntrans-111.99.5-165.1-142.3-94.8000115.7N401N401-Y403 PolarHBondContact O-N 2.83Å
404Y46.6Very low50.3Low217 Ų217136.4 Ų136.485%0.85176%0.756SS**SBendtrans-126.317.4-169.5-112.8-76.1000116.6
405N41.8Very low48.4Very low174 Ų174136.3 Ų136.393%0.9376%0.761SS**SBendtrans-144.2110.7169.2-93.9-52.1000111.4
406G40.5Very low46.6Very low72 Ų72138 Ų13874%0.74277%0.769SS**  trans121.971.5166.800000116.5
407M41.1Very low45Very low189 Ų189136.4 Ų136.493%0.93177%0.773SS**  trans-160.991.7145.9-136.896.376.100110.9
408S42.6Very low43.9Very low110 Ų110134.4 Ų134.477%0.76978%0.775SS**  trans-105.8125.3170.1-650000109.4
409N42.6Very low43.7Very low155 Ų155137 Ų13783%0.82979%0.787SS**  trans59.6115.7173.3-49.8-23.2000114.4
410T45.5Very low43.2Very low137 Ų137139.1 Ų139.184%0.8479%0.792SS**  -163.6156.162.7-62.20000110.8
411I41.3Very low42.9Very low157 Ų157140 Ų14081%0.80580%0.796SS**  trans-92.3124.6-173.7-61163.2000111.8
412T40.1Very low42.6Very low131 Ų131139.2 Ų139.280%0.80480%0.796SS**  trans-162.3136.7137.115.30000113.8
413S38.8Very low42.4Very low96 Ų96141.9 Ų141.967%0.67180%0.795SS**  trans-42.4157.9154.445.20000114.3
414T40.9Very low42.2Very low126 Ų126136 Ų13677%0.77378%0.784SS**  cis-172.9166.518.513.80000107.9
415T43Very low41.9Very low107 Ų107136.2 Ų136.266%0.65679%0.785SS**  cis174.2156.1-21.9-90.90000108.6
416T44.6Very low42Very low118 Ų118135.4 Ų135.472%0.72478%0.78SS**  trans65.9151.2178.2590000117
417N41.4Very low42.1Very low140 Ų140137.5 Ų137.575%0.74978%0.78SS**  cis-157.1165.9-11.4-111-4.7000111.8
418S39.1Very low42.3Very low101 Ų101133.6 Ų133.671%0.70677%0.769SS**  trans4.9154.3150.1-43.20000121
419I43.2Very low41.9Very low167 Ų167135.4 Ų135.486%0.85677%0.771SS**  -156.4165.256.9-75177.2000112.9
420N39.5Very low41.9Very low157 Ų157134.8 Ų134.884%0.8477%0.773SS**  trans-61.2172.7-174-108.24.3000119.9
421P44.4Very low41.3Very low110 Ų110133.7 Ų133.771%0.71477%0.767SS**  trans-110.4175.4-17143.1-36.3000116.6
422T42.1Very low41.2Very low132 Ų132133.2 Ų133.281%0.8177%0.767SS**  trans-144.7108168.4-56.30000113.7
423I42.8Very low41Very low158 Ų158133.2 Ų133.281%0.8176%0.761SS**  35.1145.9122.8-66.4-59.3000121.5
424P44.7Very low40.8Very low101 Ų101139 Ų13966%0.65677%0.769SS**  trans-124-170.7-138.745.5-34000116
425Y39.6Very low40.7Very low223 Ų223139 Ų13988%0.87577%0.771SS**  trans-168.5153.4145.4-106.9-68.9000114.5
426L44.4Very low40.1Very low156 Ų156143.4 Ų143.482%0.81778%0.777SS**  trans69.9125.7156.5-70.8160.8000122.9
427P42.2Very low40Very low116 Ų116144.4 Ų144.475%0.75378%0.784SS**  trans-111.2-163.4158.944.9-34.6000110.8
428P46.3Very low39.8Very low108 Ų108145.1 Ų145.170%0.70178%0.783SS**  cis-132.6-165.1-743.3-25.3000115.3
429N33Very low39.9Very low148 Ų148146.6 Ų146.679%0.79179%0.789SS**  trans68.8111.2161.7-80.1-1.2000121.5
430T42.8Very low39.4Very low142 Ų142146.8 Ų146.887%0.87179%0.787SS**  -177.3155.2109.323.60000111.9
431P33.2Very low39.3Very low113 Ų113144.2 Ų144.273%0.73478%0.781SS**  trans-102.4156.4-175.138.4-34.3000115.4
432N38.9Very low39Very low148 Ų148145 Ų14579%0.79179%0.789SS**  trans-140.6139.7164.5-85.6-50.4000108
433I36.3Very low38.7Very low131 Ų131147.2 Ų147.267%0.67279%0.792SS**  cis97.290.339.8-70.4176.5000112.6
434Y34.2Very low38.5Very low216 Ų216146.6 Ų146.685%0.84780%0.796SS**  trans55.9176150.9-62.2-59.6000120.1
435P39.9Very low38.1Very low127 Ų127151.3 Ų151.383%0.82581%0.806SS**  cis-123.9-170.7-8.422.32.6000114.7
436Y29.3Very low38.1Very low199 Ų199146.5 Ų146.578%0.7881%0.805SS**  trans-117.8135.7-178.4-177.3-78.4000111.4
437T42Very low37.7Very low140 Ų140143.9 Ų143.986%0.85980%0.8SS**  trans-147.2146.1167.145.80000112.9
438Q37.7Very low37.5Very low155 Ų155144.1 Ų144.172%0.72481%0.805SS**  trans-112166.9165.2-99-173.5-19.700109.7
439P40.8Very low37.2Very low131 Ų131143.6 Ų143.685%0.85181%0.81SS**  -142.3179.6121.437-22.6000114.8
440E34.4Very low37.4Very low172 Ų172143.1 Ų143.180%0.80481%0.812SS**  trans-101.8161.2-167.8-66.1-173.687.200116.8
441S36.4Very low37.3Very low103 Ų103142.3 Ų142.372%0.7281%0.809SS**  trans51122.2136.7-66.10000123
442S37.5Very low37.4Very low127 Ų127145 Ų14589%0.88881%0.813SS**  -171.8168.4119.938.50000114.3
443M37.1Very low37.4Very low177 Ų177145.9 Ų145.987%0.87282%0.818SS**  trans-72.7160.4-163.9-57.9179.9173.100115.5
444T38.2Very low37.4Very low145 Ų145142.4 Ų142.489%0.8982%0.815SS**  -172.1175.583.431.80000114.4
445K36.4Very low37.6Very low200 Ų200141.9 Ų141.987%0.8782%0.817SS**  trans-94.1154.4-164.9-56.4170178.2173.30115.5
446S38.5Very low37.6Very low122 Ų122141.9 Ų141.985%0.85382%0.815SS**  trans-157.5170.6131.958.30000110.6
447S37.2Very low38Very low102 Ų102140 Ų14071%0.71382%0.815SS**  trans-140.8168.2-157.3-53.10000115.2
448S38.5Very low38.1Very low120 Ų120139 Ų13984%0.83981%0.811SS**  trans78.1147.3160.1-56.60000117.3
449A39.1Very low37.9Very low98 Ų98137.4 Ų137.481%0.8181%0.812SS**  cis-160.9171-14.700000110.7
450V38Very low37.9Very low138 Ų138138.7 Ų138.784%0.83681%0.812SS**  trans-102.4161.1175.4-136.80000110.4
451P40.4Very low38Very low124 Ų124138 Ų13881%0.80581%0.813SS**  -154.9177.984.841.2-20.6000118.7
452M35.4Very low38Very low169 Ų169141 Ų14183%0.83382%0.821SS**  trans-35.1145.4175.5-74.2-74.2-165.100121.9
453N39.2Very low37.7Very low167 Ų167137.9 Ų137.989%0.89381%0.809SS**  172.7154.9123.1-87.3-13.4000109.7
454G35.1Very low37.6Very low58 Ų58135.8 Ų135.860%0.59881%0.807SS**  cis158.2121.7-10.100000112.6
455F38Very low37.4Very low205 Ų205135.2 Ų135.290%0.89980%0.802SS**  trans62.8160.8177.9-59.6-88.2000115.9
456T39.9Very low37.5Very low127 Ų127133.5 Ų133.578%0.77980%0.8SS**  cis-149.3158.6-0.6-14.10000109.6
457M37.8Very low37.5Very low159 Ų159136.6 Ų136.678%0.78380%0.798SS**  trans-87.1159.2163.9-70-73.4-71.500111.1
458P43.5Very low38.1Very low120 Ų120137.1 Ų137.178%0.77980%0.799SS**  -130.6160.3119.937.5-31.3000113.7
459T34.6Very low38Very low121 Ų121137 Ų13774%0.74280%0.795SS**  trans-81.7153.3170.549.10000111.6
460D40.3Very low37.9Very low159 Ų159139.1 Ų139.185%0.8580%0.798SS**  trans-145.8156.2146.3-137.7-29.1000112
461L36.5Very low37.9Very low156 Ų156138.9 Ų138.982%0.81779%0.792SS**  trans-100.6124.6-178.1-77.575.7000110.8
462N37.6Very low37.6Very low167 Ų167138.5 Ų138.589%0.89379%0.793SS**  trans-152.3150.5136.8-148.5-10.3000112.1
463G31.3Very low37.8Very low62 Ų62140 Ų14064%0.63979%0.79SS**  trans-89.3134.5-17900000112.9
464T35Very low37.6Very low133 Ų133137.7 Ų137.782%0.81678%0.784SS**  trans-151.4132.8156.3-720000108.1M466T464-M466 PolarHBondContact O-N 2.91Å
465V33.9Very low37.5Very low132 Ų132142.8 Ų142.880%0.880%0.795SS**  trans-78.8117.7179.1178.80000109.1
466M37.8Very low37.4Very low165 Ų165137.3 Ų137.381%0.81378%0.782SS**  trans-142.3135.5168.5-100.2-64.6177.100110.4T464T464-M466 PolarHBondContact O-N 2.91Å
467F39Very low37.3Very low187 Ų187136.5 Ų136.582%0.8278%0.777SS**PPolyproline II helixtrans-81.3134.4176.9-71.9-103.1000110
468P49.8Very low37.2Very low113 Ų113132.4 Ų132.473%0.73478%0.775SS**PPolyproline II helixtrans-74157167.832.1-34000111.2
469P36.8Very low37Very low117 Ų117134.2 Ų134.276%0.7678%0.777SS**PPolyproline II helixtrans-73160.5-175.4-15.531.4000113.9D471P469-D471 PolarHBondContact O-N 2.84Å
470T35.5Very low37.1Very low143 Ų143138.7 Ų138.788%0.87778%0.782SS**  trans-82.39617151.80000111.3S472T470-S472 PolarHBondContact O-N 2.99Å
471D38.3Very low36.8Very low132 Ų132135.6 Ų135.671%0.70678%0.778SS**  trans-72.4124168.9-88.8-44000111.4P469 Y473P469-D471 PolarHBondContact O-N 2.84Å; D471-Y473 HydrophobicContact CB-CE2 4.38Å
472S33.8Very low36.6Very low116 Ų116134.6 Ų134.681%0.81177%0.773SS**  trans-85.1124.1-178.955.30000112T470T470-S472 PolarHBondContact O-N 2.99Å
473Y39.2Very low36.8Very low201 Ų201131.8 Ų131.879%0.78876%0.764SS**  trans-109.9142.4174.6-71.5-76.8000112.3D471D471-Y473 HydrophobicContact CB-CE2 4.38Å
474P35.4Very low37.1Very low118 Ų118136.8 Ų136.877%0.76677%0.771SS**  trans-79.1125.8-177.130.8-34.2000112.6S476P474-S476 PolarHBondContact O-N 2.78Å
475M34.3Very low37.2Very low166 Ų166138.1 Ų138.182%0.81877%0.771SS**  trans-85.6104.1169.6-94.6-65.2-164.600111.3T477M475-T477 PolarHBondContact O-N 3.21Å
476S35.7Very low37.2Very low89 Ų89140.7 Ų140.762%0.62278%0.775SS**  trans-75.6110.2162.2-46.50000109.8K47 P474K47-S476 PolarHBondContact NZ-O 3.15Å; K47-S476 VanDerWaalsContact NZ-O 3.1Å; P474-S476 PolarHBondContact O-N 2.78Å
477T37.1Very low37Very low111 Ų111139.4 Ų139.468%0.68177%0.771SS**  trans-71.7132.8170.343.30000110.5M475M475-T477 PolarHBondContact O-N 3.21Å
478G36.5Very low36.8Very low72 Ų72140 Ų14074%0.74277%0.774SS**  trans-106.2119.417200000109.2
479I37.8Very low36.2Very low159 Ų159138.7 Ų138.782%0.81578%0.78SS**  trans-77.3125-177.7-62.8171.6000109.5
480Y37.1Very low35.9Very low215 Ų215136 Ų13684%0.84377%0.774SS**  trans-81.5112.5161-95.7-92.7000108.9
481A35.1Very low35.9Very low93 Ų93137.4 Ų137.477%0.76978%0.776SS**  trans-80.3120.117400000110
482N32.5Very low35.7Very low136 Ų136138.9 Ų138.973%0.72778%0.783SS**  trans-91.3124.3171.5-166.922.9000108.7Q484N482-Q484 PolarHBondContact O-N 2.99Å
483P41.1Very low35.8Very low108 Ų108138.2 Ų138.270%0.70178%0.776SS**  trans-71.1104.3-176.927.4-34.2000111.5
484Q37.2Very low35.7Very low166 Ų166136.9 Ų136.978%0.77678%0.777SS**  trans-72.3129163.3-72.4-75.2-91.300109.6N482N482-Q484 PolarHBondContact O-N 2.99Å
485I37Very low35.6Very low161 Ų161138.6 Ų138.683%0.82678%0.78SS**  trans-98.594.2170.7-57.9175.4000107.1
486E34.2Very low35.9Very low186 Ų186135.1 Ų135.187%0.86977%0.77SS**  trans-84.8134.3166.8-71.3-168.3126.900109.9
487N34.2Very low36.1Very low139 Ų139139.9 Ų139.974%0.74378%0.782SS**  trans-117.7119-174.9-165.917.8000111.4
488F33.6Very low36Very low200 Ų200140 Ų14088%0.87779%0.787SS**  trans31.2123.7158.6-85.7-102.9000121.4
489G37.7Very low35.9Very low84 Ų84140.3 Ų140.387%0.86679%0.79SS**  trans-143.7106.2151.300000109.7
490G31.4Very low35.8Very low62 Ų62141.7 Ų141.764%0.63979%0.793SS**  trans-107.2162.2-168.500000115.3
491N35.3Very low35.6Very low171 Ų171138.2 Ų138.291%0.91479%0.794SS**  trans-156.9141.5154.5-106-48.5000111.5
492L34Very low35.6Very low163 Ų163138.6 Ų138.685%0.85379%0.791SS**  trans-100.6178.3172.4-113.679.9000109
493P36Very low35.8Very low102 Ų102136.9 Ų136.966%0.66279%0.79SS**  cis-149.1-167.929.546-25.1000118.1
494Q37.2Very low35.5Very low174 Ų174140.5 Ų140.581%0.81380%0.797SS**  trans75.782.8155.1-70.2172.419.700121.2
495N33.4Very low35.4Very low153 Ų153137.5 Ų137.582%0.81879%0.792SS**  32.615798.7-134.640.8000120.1
496P40.9Very low35.1Very low93 Ų93139.2 Ų139.260%0.60479%0.794SS**  cis-133.1167.1-45.736.4-22.2000114.2
497H38.5Very low35.6Very low190 Ų190136.3 Ų136.388%0.8879%0.791SS**  trans-157.7152.1140-115.651.1000115.3
498S34.6Very low35.3Very low113 Ų113135.9 Ų135.979%0.7979%0.794SS**  trans-78.4153.7-168.950.90000117.1
499G35.9Very low35.2Very low78 Ų78134.2 Ų134.280%0.80479%0.789SS**  trans-171.912416400000115
500Q35.5Very low34.7Very low189 Ų189137.6 Ų137.688%0.88378%0.782SS**  trans-45.2136.2-177.7-67.4156.2-58.800115.2
501V33.1Very low34.7Very low141 Ų141144.8 Ų144.886%0.85580%0.796SS**  67.5108.963.1177.60000114.6
502S34.4Very low34.3Very low102 Ų102146.8 Ų146.871%0.71379%0.792SS**  trans-176.6133.7132.5-169.10000114
503S36.6Very low34.1Very low99 Ų99142 Ų14269%0.69278%0.782SS**  trans53.6143.614456.40000122.4
504Q35.9Very low33.7Very low184 Ų184142.4 Ų142.486%0.8679%0.787SS**  cis-154.8171.1-1-99-105.2-10.800108.9
505P34.8Very low33.5Very low104 Ų104141.6 Ų141.668%0.67579%0.789SS**  trans-106.4172.8-154.340.8-35.5000116.9
506F30.5Very low33.2Very low196 Ų196141.8 Ų141.886%0.8678%0.784SS**  trans-84.8147.5164.3-71.9-91.4000112.1
507P44.2Very low32.9Very low126 Ų126145 Ų14582%0.81880%0.795SS**  trans-82.7148169.233.7-33.5000112.4
508V28Very low32.9Very low130 Ų130141.1 Ų141.179%0.78879%0.785SS**  trans-128.2139.5171.1178.50000107.8
509Q31Very low33Very low165 Ų165141.5 Ų141.577%0.77178%0.784SS**  trans159.4115.9148.8-89.7161.10.500109.3
510Q26.9Very low33.7Very low154 Ų154143.3 Ų143.372%0.7278%0.782SS**  73.6132.298.5-72.6-171.21.100115.1
511F31.2Very low33.8Very low213 Ų213141.8 Ų141.893%0.93478%0.78SS**  -150.9143.7121-114.7-76.7000110.5
512Y28.1Very low33.8Very low214 Ų214140.6 Ų140.684%0.83977%0.773SS**  trans-100.5157174-102-101.2000110.1
513G29Very low33.9Very low63 Ų63142.1 Ų142.165%0.64978%0.777SS**  trans107.4111.2139.400000118.8
514S28.4Very low33.7Very low110 Ų110142.5 Ų142.577%0.76978%0.776SS**  53112.6127.8-470000120.7
515N31.7Very low33.8Very low157 Ų157141.9 Ų141.984%0.8477%0.773SS**  -17117199.5-104.7-35.8000115.7
516Q27.4Very low33.6Very low156 Ų156144.3 Ų144.373%0.72978%0.775SS**  trans-64.7162.9-174.6-47.7173.725.300116
517I34.7Very low33.8Very low160 Ų160142.3 Ų142.382%0.82177%0.77SS**  trans179.5105.9134.8-91.1149.5000105.8
518V39.5Very low33.4Very low110 Ų110143.4 Ų143.467%0.66777%0.765SS**  68.4114.478.7177.80000113.5
519P37Very low33.5Very low121 Ų121142.3 Ų142.379%0.78676%0.763SS**  trans-95.3162.3177.338.2-34.9000113.4
520P50.6Low33.7Very low116 Ų116144.5 Ų144.575%0.75377%0.765SS**  trans-121.6128.5169.736.8-24.2000115.6
521D37.5Very low34.2Very low157 Ų157142.9 Ų142.984%0.8477%0.768SS**  trans34.5127.8145.2-68.3-68.8000125.8
522V32.7Very low34.1Very low116 Ų116138.6 Ų138.670%0.70376%0.764SS**  trans-39.7141.2149.9176.90000114.7
523V37Very low34.5Very low133 Ų133132.4 Ų132.481%0.80677%0.766SS**  trans-129.7121152.7178.10000110.1
524T31.7Very low34.8Very low108 Ų108136.1 Ų136.166%0.66377%0.771SS**  trans-100.7128-179.2-60.50000111.9
525Q37.6Very low35.2Very low170 Ų170138.7 Ų138.779%0.79478%0.776SS**  trans-157.2103.9158-106.9162.495.500107
526Q31.7Very low35.3Very low156 Ų156137.1 Ų137.173%0.72977%0.768SS**  83.5133.671.3-83.6-160.4-4.900114.5
527M34.5Very low35.8Very low154 Ų154140.9 Ų140.976%0.75978%0.777SS**  trans70.2141.4171.2-62.2-167.1178.900116
528Q34.6Very low35.7Very low149 Ų149136.3 Ų136.370%0.69677%0.769SS**  cis-148.2153.55.9-124.6156.638.700111.5
529S31.1Very low35.5Very low107 Ų107138 Ų13875%0.74878%0.779SS**  trans-100.8140.3-174.654.90000113.6
530Y34.4Very low35.5Very low211 Ų211137.2 Ų137.283%0.82777%0.774SS**  trans-139144.7161.8-76.6-76000111.7
531P37.1Very low34.7Very low119 Ų119138.1 Ų138.177%0.77378%0.778SS**  trans-102.9166.5-168.739.6-36.8000115.9
532S29.9Very low34.6Very low123 Ų123140.8 Ų140.886%0.8678%0.778SS**  trans-5.8125.7162.3-500000120
533G36.8Very low34.7Very low85 Ų85143.1 Ų143.188%0.87679%0.786SS**  trans-121.6106.9157.900000110.9
534N34Very low34.6Very low141 Ų141145.8 Ų145.875%0.75479%0.791SS**  trans-89.6135.5178.3179.417.1000110.6
535N37.1Very low34.7Very low163 Ų163147.7 Ų147.787%0.87280%0.798SS**  trans-149.997.4159.7-106.5-30.7000112.2
536N34.2Very low34.6Very low124 Ų124148.7 Ų148.766%0.66380%0.802SS**  trans-62.8129.7172.7164.934.7000113.1
537Y37.7Very low34.8Very low236 Ų236146.3 Ų146.393%0.92580%0.803SS**  trans-149119.1143.5-90.1-72.5000109.7
538G33.3Very low34.7Very low64 Ų64148.5 Ų148.566%0.6681%0.811SS**  trans-126.8147175.800000112.5
539V35Very low34.7Very low144 Ų144146.4 Ų146.487%0.87381%0.813SS**  trans-140.1137170.4-178.60000107
540P37.4Very low34.7Very low106 Ų106149 Ų14969%0.68882%0.815SS**  trans-91176.7-161.336.3-38.4000115.4
541T34.2Very low35Very low135 Ų135144.5 Ų144.583%0.82881%0.809SS**  trans-58.5146.6173.538.80000114.1
542Y34Very low34.8Very low212 Ų212148.6 Ų148.683%0.83181%0.811SS**  trans-132.6129.5157.5-89.7-86.4000109.9
543L35Very low35.1Very low166 Ų166148.3 Ų148.387%0.86980%0.804SS**  trans-79.9132.8159.7-120.590.7000107.9
544M35.7Very low35.2Very low188 Ų188151.1 Ų151.193%0.92680%0.799SS**  trans-132.7120159.8-101.2-179.2165.200108.7
545N33.3Very low35.1Very low149 Ų149153.3 Ų153.380%0.79781%0.805SS**  trans-124.897.5179.717354.1000107.4
546E35.8Very low35.2Very low191 Ų191149.8 Ų149.889%0.89379%0.793SS**  trans-146.3145.5171.1-136.2175.7150.800111.3
547S35.4Very low35.2Very low106 Ų106151.3 Ų151.374%0.74180%0.801SS**  trans-87.9143.7-164.7-49.80000112.8
548Q33.7Very low35.2Very low200 Ų200148 Ų14894%0.93580%0.799SS**  trans-151.4137.3146.2-122152.1103.500112.5
549S34.4Very low35.4Very low104 Ų104151 Ų15173%0.72781%0.805SS**  trans-86.8138.6-177530000111.9
550M31.4Very low35.6Very low162 Ų162152.1 Ų152.180%0.79881%0.805SS**  trans-123.3115.2147.2-78.6-152-68.400109.5Y552M550-Y552 HydrophobicContact CE-CE2 4.49Å; M550-Y552 HydrophobicContact SD-CE2 4.36Å
551V38.8Very low35.6Very low117 Ų117152.4 Ų152.471%0.70981%0.81SS**  trans-104108.4169.7-172.50000106.5T553V551-T553 HydrophobicContact CG1-CG2 4.27Å; V551-T553 PolarHBondContact O-N 3.23Å
552Y33.1Very low35.7Very low204 Ų204152.2 Ų152.280%0.881%0.809SS**  trans-78.7104.9172.9-98.1-93.2000109.5M550M550-Y552 HydrophobicContact CE-CE2 4.49Å; M550-Y552 HydrophobicContact SD-CE2 4.36Å
553T35.9Very low36.3Very low118 Ų118150.9 Ų150.972%0.72481%0.81SS**  trans-111.5112.3163.550.90000108.7V551V551-T553 HydrophobicContact CG1-CG2 4.27Å; V551-T553 PolarHBondContact O-N 3.23Å
554D39.3Very low36.4Very low144 Ų144153.8 Ų153.877%0.7781%0.809SS**  trans-101.2122.4172.4-154.7-26.1000109.4
555Q32.3Very low37.1Very low187 Ų187152.3 Ų152.387%0.87480%0.804SS**  trans-133.499.1176.2-79.3-167100109.3
556S39Very low37.5Very low89 Ų89153.4 Ų153.462%0.62280%0.804SS**  trans-147.3112.7161.164.80000113.1
557N35.2Very low38.1Very low155 Ų155152.3 Ų152.383%0.82980%0.799SS**  trans47.3113.3140.4-53.2-28.5000119.5
558N36.1Very low38.5Very low166 Ų166154.9 Ų154.989%0.88880%0.799SS**  -149.5140.6109.3-125.3-35000113.7
559T39Very low39Very low129 Ų129153.1 Ų153.179%0.79179%0.791SS**  trans-95.3138.8-176.433.40000112.5
560L39.2Very low40.2Very low167 Ų167157.7 Ų157.787%0.87482%0.818SS**  trans-150.493159.7-113.3161.3000113.6
561S36.8Very low40.7Very low111 Ų111157.5 Ų157.578%0.77682%0.819SS**  trans37.5111.3143.5-53.90000121.4
562T37.1Very low40.8Very low132 Ų132159.6 Ų159.681%0.8183%0.825SS**  trans-67.7138.1160.5-50.40000112.7
563Q45Very low41.2Very low184 Ų184157.2 Ų157.286%0.8683%0.827SS**  trans-132.1140.1148.5-79.9-164.14.100111
564R38.8Very low41.5Very low226 Ų226159.5 Ų159.585%0.85383%0.833SS**  trans-91136.3170.7-71.2175.1171.8164.7-5.5109.6
565I49.9Very low41.7Very low158 Ų158160.4 Ų160.481%0.8184%0.837SS**  trans-130.2140147.4-63.7-175.2000107.2
566Q40.5Very low42.3Very low172 Ų172158.7 Ų158.780%0.80483%0.834SS**  trans-141.7122.7-174.7-174.3173.412.900110.7
567Q48.2Very low42.5Very low168 Ų168163.6 Ų163.679%0.78585%0.849SS**  trans-156.1129.6167.4-100.3151.580.400105.1
568Q44.6Very low43.1Very low160 Ų160164.3 Ų164.375%0.74885%0.851SS**  61.3122.662.8-71.5-163.245.900111.3
569Q45Very low43.7Very low163 Ų163164.2 Ų164.276%0.76285%0.848SS**  cis-152.4177.26.3-83.614732.500108.1
570P59.8Low44.1Very low200 Ų200167.4 Ų167.4100%1.29985%0.853SS**  cis-109.50-18.337-26.1000113.4

Retrieved 570 of 570 residues in 119 ms (Link to these results)

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