A0A096MN80_PAPAN Loading...

Pre-rRNA-processing protein TSR2 homolog

May be involved in 20S pre-rRNA processing.

AlphaFold DB (A0A2K5YMN7), UniProt , Accession A0A096MN80, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 191 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
1M52.6Low74.6Confident228 Ų22884.9 Ų84.9100%1.12352%0.519SS*.  070-92.6-168.7178.700114.1G3M1-G3 PolarHBondContact O-N 3.47Å
2A56.3Low76Confident71 Ų7177.8 Ų77.859%0.58748%0.475SS*.Hα-helixtrans-63.4-40.4179.700000113.8A4 A5 E6A2-A4 VanDerWaalsContact C-N 3.29Å; A2-A4 PolarHBondContact O-N 3.45Å; A2-A5 PolarHBondContact O-N 2.96Å; A2-E6 PolarHBondContact O-N 3.08Å
3G62.5Low77.1Confident47 Ų4781 Ų8149%0.48547%0.473SS..Hα-helixtrans-62.5-27.1-176.200000115.6M1 D7M1-G3 PolarHBondContact O-N 3.47Å; G3-D7 WeakPolarHBondContact O-CB 3.3Å; G3-D7 PolarHBondContact O-N 2.79Å
4A69.7Low78.1Confident73 Ų7379.4 Ų79.460%0.60347%0.474SS*.Hα-helixtrans-74.6-34.1179.500000112.7A2 A8A2-A4 VanDerWaalsContact C-N 3.29Å; A2-A4 PolarHBondContact O-N 3.45Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.2Å; A4-A8 VanDerWaalsContact O-N 3.08Å
5A69.9Low79Confident65 Ų6574.1 Ų74.154%0.53744%0.442SS..Hα-helixtrans-73.9-36.8175.300000111.2A2 A8 R9A2-A5 PolarHBondContact O-N 2.96Å; A5-A8 PolarHBondContact O-N 3.46Å; A5-R9 WeakPolarHBondContact O-CB 3.44Å; A5-R9 PolarHBondContact O-N 3.21Å
6E75.1Confident79.9Confident135 Ų13569.4 Ų69.463%0.63142%0.415SS*.Hα-helixtrans-63.2-41.6173.1-68.9178.1100.900111.7A2 R9 A10A2-E6 PolarHBondContact O-N 3.08Å; E6-R9 PolarHBondContact O-N 2.84Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 2.68Å
7D83.4Confident80.6Confident97 Ų9767.1 Ų67.152%0.51940%0.402SS..Hα-helixtrans-65.5-44.2176.4-140.8-92.5000111.6G3 R9 A10 L11G3-D7 WeakPolarHBondContact O-CB 3.3Å; G3-D7 PolarHBondContact O-N 2.79Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 PolarHBondContact O-N 2.96Å; D7-A10 PolarHBondContact O-N 2.93Å; D7-L11 VanDerWaalsContact O-CG 3.29Å; D7-L11 WeakPolarHBondContact O-CG 3.37Å; D7-L11 PolarHBondContact O-N 3.25Å
8A84.2Confident81.2Confident19 Ų1964.1 Ų64.116%0.15739%0.385CS..Hα-helixtrans-61.4-39.7176.200000112A4 A5 L11 F12 F100A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.2Å; A4-A8 VanDerWaalsContact O-N 3.08Å; A5-A8 PolarHBondContact O-N 3.46Å; A8-L11 PolarHBondContact O-N 3.17Å; A8-F12 PolarHBondContact O-N 3.03Å; A8-F100 VanDerWaalsContact C-CE2 3.47Å; A8-F100 HydrophobicContact CB-CD2 3.81Å; A8-F100 HydrophobicContact CB-CE2 3.64Å; A8-F100 WeakPolarHBondContact O-CD2 2.98Å
9R87.5Confident81.8Confident107 Ų10760.8 Ų60.840%0.40437%0.366SS..Hα-helixtrans-67.6-42.4178.1-176.4179.3174.3162.25.5111A5 E6 D7 L11 F12 R13 E51 M55 F100A5-R9 WeakPolarHBondContact O-CB 3.44Å; A5-R9 PolarHBondContact O-N 3.21Å; E6-R9 PolarHBondContact O-N 2.84Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 PolarHBondContact O-N 2.96Å; R9-L11 VanDerWaalsContact C-N 3.3Å; R9-L11 PolarHBondContact O-N 3.14Å; R9-F12 PolarHBondContact O-N 3.31Å; R9-R13 WeakPolarHBondContact O-CB 3.47Å; R9-R13 PolarHBondContact O-N 3.47Å; R9-E51 IonicContact CZ-OE1 3.25Å; R9-E51 IonicContact NE-OE1 3.22Å; R9-E51 PolarHBondContact NE-OE1 2.83Å; R9-E51 IonicContact NH2-OE1 3.27Å; R9-E51 PolarHBondContact NH2-OE1 3.15Å; R9-M55 HydrophobicContact CG-CE 4.42Å; R9-M55 HydrophobicContact CG-SD 4.31Å; R9-F100 HydrophobicContact CB-CE2 4.21Å
10A89.4Confident82.3Confident59 Ų5958 Ų5849%0.48835%0.349SS..Hα-helixtrans-61.1-40.2175.100000111.9E6 D7 A14E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 2.68Å; D7-A10 PolarHBondContact O-N 2.93Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.41Å
11L89.8Confident82.6Confident33 Ų3360 Ų6017%0.17336%0.355CS..Hα-helixtrans-64.8-42.6174.3-70169.2000112D7 A8 R9 A14 G15 L108 R109D7-L11 VanDerWaalsContact O-CG 3.29Å; D7-L11 WeakPolarHBondContact O-CG 3.37Å; D7-L11 PolarHBondContact O-N 3.25Å; A8-L11 PolarHBondContact O-N 3.17Å; R9-L11 VanDerWaalsContact C-N 3.3Å; R9-L11 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 3.46Å; L11-G15 PolarHBondContact O-N 3.41Å; L11-L108 HydrophobicContact CB-CD2 3.86Å; L11-L108 HydrophobicContact CB-CG 4.45Å; L11-R109 HydrophobicContact CD2-CB 4.46Å
12F91.3Very high84.4Confident0 Ų050.6 Ų50.60%031%0.313CS..Hα-helixtrans-63-49.6177.2178.6-106.2000110.9A8 R9 A14 G15 V16 E51 F54 M55 M96 F97 F100 L108A8-F12 PolarHBondContact O-N 3.03Å; R9-F12 PolarHBondContact O-N 3.31Å; F12-A14 VanDerWaalsContact C-N 3.3Å; F12-A14 PolarHBondContact O-N 3.02Å; F12-G15 CarbonylContact O-C 3.57Å; F12-G15 WeakPolarHBondContact O-CA 3.2Å; F12-G15 PolarHBondContact O-N 3.26Å; F12-V16 HydrophobicContact CD1-CG2 4.01Å; F12-V16 HydrophobicContact CD2-CG2 4.33Å; F12-V16 HydrophobicContact CE1-CG2 3.6Å; F12-V16 HydrophobicContact CE2-CG2 3.91Å; F12-V16 HydrophobicContact CG-CG2 4.38Å; F12-V16 HydrophobicContact CZ-CG2 3.53Å; F12-V16 WeakPolarHBondContact O-CG2 3.41Å; F12-V16 PolarHBondContact O-N 3.36Å; F12-E51 HydrophobicContact CD1-CG 4.28Å; F12-E51 HydrophobicContact CE1-CG 4.47Å; F12-F54 HydrophobicContact CE1-CB 3.79Å; F12-F54 HydrophobicContact CE1-CD2 4.38Å; F12-F54 HydrophobicContact CE1-CG 4.23Å; F12-F54 HydrophobicContact CZ-CB 3.78Å; F12-F54 HydrophobicContact CZ-CD1 4.35Å; F12-F54 AromaticContact CZ-CD2 3.9Å; F12-F54 HydrophobicContact CZ-CD2 3.9Å; F12-F54 AromaticContact CZ-CG 3.76Å; F12-F54 HydrophobicContact CZ-CG 3.76Å; F12-M55 HydrophobicContact CD1-CE 3.35Å; F12-M55 HydrophobicContact CE1-CE 3.7Å; F12-M55 HydrophobicContact CG-CE 4.15Å; F12-M96 HydrophobicContact CD2-CB 4.14Å; F12-M96 HydrophobicContact CE2-CB 3.94Å; F12-F97 HydrophobicContact CE1-CD2 4.37Å; F12-F97 HydrophobicContact CE2-CB 3.81Å; F12-F97 HydrophobicContact CE2-CD2 4.09Å; F12-F97 HydrophobicContact CE2-CG 4.48Å; F12-F97 HydrophobicContact CZ-CB 4.11Å; F12-F97 AromaticContact CZ-CD2 3.88Å; F12-F97 HydrophobicContact CZ-CD2 3.88Å; F12-F97 HydrophobicContact CZ-CG 4.45Å; F12-F100 HydrophobicContact CB-CB 4.41Å; F12-F100 HydrophobicContact CB-CD2 3.96Å; F12-F100 HydrophobicContact CB-CG 4.24Å; F12-F100 HydrophobicContact CD2-CB 4.14Å; F12-F100 HydrophobicContact CG-CB 4.44Å; F12-F100 HydrophobicContact CG-CG 4.41Å; F12-L108 HydrophobicContact CB-CD2 4Å; F12-L108 HydrophobicContact CD2-CD1 4.24Å
13R91.3Very high86.1Confident119 Ų11947.4 Ų47.445%0.44929%0.286SS..Hα-helixtrans-54.4-45.8175.1-176.6-179.7-171.6-92-7.9112.1R9 G15 V16 C17 E51R9-R13 WeakPolarHBondContact O-CB 3.47Å; R9-R13 PolarHBondContact O-N 3.47Å; R13-G15 VanDerWaalsContact C-N 3.3Å; R13-G15 PolarHBondContact O-N 2.94Å; R13-V16 PolarHBondContact O-N 3.4Å; R13-C17 PolarHBondContact O-N 3.41Å; R13-C17 PolarHBondContact O-SG 2.79Å; R13-C17 VanDerWaalsContact O-SG 3.37Å; R13-E51 HydrophobicContact CB-CG 4.16Å; R13-E51 WeakPolarHBondContact CD-OE2 3.18Å; R13-E51 HydrophobicContact CG-CG 4.36Å; R13-E51 VanDerWaalsContact CG-OE2 3.25Å; R13-E51 WeakPolarHBondContact CG-OE2 3.47Å; R13-E51 IonicContact NE-OE2 3.68Å; R13-E51 PolarHBondContact NE-OE2 3.36Å
14A91Very high87.4Confident58 Ų5849.2 Ų49.248%0.47929%0.289SS..Hα-helixtrans-62.3-38.8176.500000112.1A10 L11 F12 A18A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.41Å; L11-A14 PolarHBondContact O-N 3.46Å; F12-A14 VanDerWaalsContact C-N 3.3Å; F12-A14 PolarHBondContact O-N 3.02Å; A14-A18 WeakPolarHBondContact O-CB 3.24Å; A14-A18 PolarHBondContact O-N 2.96Å
15G91.8Very high88.4Confident0 Ų046.6 Ų46.60%027%0.268CS..Hα-helixtrans-65-44.5174.700000113.4L11 F12 R13 A18 A19 M96L11-G15 PolarHBondContact O-N 3.41Å; F12-G15 CarbonylContact O-C 3.57Å; F12-G15 WeakPolarHBondContact O-CA 3.2Å; F12-G15 PolarHBondContact O-N 3.26Å; R13-G15 VanDerWaalsContact C-N 3.3Å; R13-G15 PolarHBondContact O-N 2.94Å; G15-A18 PolarHBondContact O-N 3.3Å; G15-A19 WeakPolarHBondContact O-CB 3.25Å; G15-A19 PolarHBondContact O-N 3.09Å; G15-M96 VanDerWaalsContact C-SD 3.59Å
16V92.7Very high89.4Confident0 Ų043.7 Ų43.70%024%0.243CC..Hα-helixtrans-60.2-49.8175.8173.60000110.6F12 R13 A18 A19 L20 V50 L93F12-V16 HydrophobicContact CD1-CG2 4.01Å; F12-V16 HydrophobicContact CD2-CG2 4.33Å; F12-V16 HydrophobicContact CE1-CG2 3.6Å; F12-V16 HydrophobicContact CE2-CG2 3.91Å; F12-V16 HydrophobicContact CG-CG2 4.38Å; F12-V16 HydrophobicContact CZ-CG2 3.53Å; F12-V16 WeakPolarHBondContact O-CG2 3.41Å; F12-V16 PolarHBondContact O-N 3.36Å; R13-V16 PolarHBondContact O-N 3.4Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 PolarHBondContact O-N 2.86Å; V16-A19 PolarHBondContact O-N 3.13Å; V16-L20 HydrophobicContact CG1-CD1 3.95Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 3.06Å; V16-V50 HydrophobicContact CG1-CB 3.82Å; V16-V50 HydrophobicContact CG1-CG1 3.58Å; V16-L93 HydrophobicContact CB-CD2 4.13Å; V16-L93 HydrophobicContact CG1-CD2 4.01Å; V16-L93 HydrophobicContact CG2-CD2 3.91Å
17C91.6Very high90.2Very high30 Ų3040.2 Ų40.220%0.20323%0.227CC..Hα-helixtrans-57.4-47.3175.7-69.50000111.3R13 A19 L20 E21R13-C17 PolarHBondContact O-N 3.41Å; R13-C17 PolarHBondContact O-SG 2.79Å; R13-C17 VanDerWaalsContact O-SG 3.37Å; C17-A19 VanDerWaalsContact C-N 3.33Å; C17-A19 PolarHBondContact O-N 3.27Å; C17-L20 PolarHBondContact O-N 2.9Å; C17-E21 VanDerWaalsContact O-CB 3.22Å; C17-E21 WeakPolarHBondContact O-CB 3.37Å; C17-E21 VanDerWaalsContact O-CG 3.26Å; C17-E21 WeakPolarHBondContact O-CG 3.36Å; C17-E21 PolarHBondContact O-N 3.25Å
18A91.4Very high90.5Very high12 Ų1239.8 Ų39.810%0.09922%0.223CC..Hα-helixtrans-61.2-39.7179.200000112.8A14 G15 V16 A22 I115A14-A18 WeakPolarHBondContact O-CB 3.24Å; A14-A18 PolarHBondContact O-N 2.96Å; G15-A18 PolarHBondContact O-N 3.3Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 PolarHBondContact O-N 2.86Å; A18-A22 VanDerWaalsContact O-CB 3.22Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.04Å; A18-I115 HydrophobicContact CB-CG2 4.37Å; A18-I115 VanDerWaalsContact O-CG2 3.25Å; A18-I115 WeakPolarHBondContact O-CG2 3.23Å
19A92.5Very high90.8Very high3 Ų338.9 Ų38.93%0.02522%0.216CC..Hα-helixtrans-62.5-48.3176.900000111.8G15 V16 C17 A22 W23 L93 M96 I115G15-A19 WeakPolarHBondContact O-CB 3.25Å; G15-A19 PolarHBondContact O-N 3.09Å; V16-A19 PolarHBondContact O-N 3.13Å; C17-A19 VanDerWaalsContact C-N 3.33Å; C17-A19 PolarHBondContact O-N 3.27Å; A19-A22 PolarHBondContact O-N 3.34Å; A19-W23 PolarHBondContact O-N 2.93Å; A19-L93 HydrophobicContact CB-CD2 3.94Å; A19-M96 HydrophobicContact CB-CE 4.48Å; A19-I115 HydrophobicContact CB-CD1 4.13Å
20L91.6Very high91Very high4 Ų434.9 Ų34.92%0.02120%0.203CC..Hα-helixtrans-66-43.7178.1-65.2168.4000111.6V16 C17 A22 W23 L26 L46 G47 V50 L69V16-L20 HydrophobicContact CG1-CD1 3.95Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 3.06Å; C17-L20 PolarHBondContact O-N 2.9Å; L20-A22 PolarHBondContact O-N 3.18Å; L20-W23 HydrophobicContact CD2-CE3 4.12Å; L20-W23 HydrophobicContact CD2-CZ3 4.32Å; L20-W23 VanDerWaalsContact O-CB 3.29Å; L20-W23 WeakPolarHBondContact O-CB 3.29Å; L20-W23 PolarHBondContact O-N 3.43Å; L20-W23 VanDerWaalsContact O-N 3.09Å; L20-L26 HydrophobicContact CB-CD2 3.98Å; L20-L26 WeakPolarHBondContact O-CD2 3.46Å; L20-L46 HydrophobicContact CD1-CD2 4.35Å; L20-L46 HydrophobicContact CD1-CG 3.94Å; L20-L46 HydrophobicContact CD2-CD2 4.08Å; L20-L46 HydrophobicContact CD2-CG 4.34Å; L20-G47 VanDerWaalsContact CD1-CA 3.48Å; L20-V50 HydrophobicContact CD1-CG2 4.26Å; L20-L69 HydrophobicContact CD2-CD1 4.05Å
21E89.8Confident91Very high101 Ų10139.3 Ų39.347%0.47221%0.214SC..Hα-helixtrans-66-23.9177.9-78.8-171.777.300113.8C17 Q27 K119C17-E21 VanDerWaalsContact O-CB 3.22Å; C17-E21 WeakPolarHBondContact O-CB 3.37Å; C17-E21 VanDerWaalsContact O-CG 3.26Å; C17-E21 WeakPolarHBondContact O-CG 3.36Å; C17-E21 PolarHBondContact O-N 3.25Å; E21-Q27 VanDerWaalsContact O-CD 3.3Å; E21-Q27 PolarHBondContact O-NE2 2.91Å; E21-K119 WeakPolarHBondContact O-CD 3.37Å; E21-K119 WeakPolarHBondContact O-CE 3.48Å; E21-K119 PolarHBondContact O-NZ 2.79Å; E21-K119 IonicContact OE1-NZ 3.27Å
22A90.1Very high91.1Very high30 Ų3042.8 Ų42.825%0.24823%0.233CC..THydrogen-bonded Turntrans-90.2-5.7175.300000113A18 A19 L20 P24 I115 K119A18-A22 VanDerWaalsContact O-CB 3.22Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.04Å; A19-A22 PolarHBondContact O-N 3.34Å; L20-A22 PolarHBondContact O-N 3.18Å; A22-P24 VanDerWaalsContact O-CD 3.25Å; A22-P24 WeakPolarHBondContact O-CD 3.21Å; A22-I115 HydrophobicContact CB-CG2 3.36Å; A22-K119 HydrophobicContact CB-CB 4.09Å; A22-K119 HydrophobicContact CB-CD 4.37Å
23W92.4Very high90.9Very high4 Ų444.5 Ų44.52%0.01525%0.251CS..  trans-80113.3-178.1-171.611.3000111A19 L20 A25 L26 Q27 L69 L73 V81 S85 L86 V89A19-W23 PolarHBondContact O-N 2.93Å; L20-W23 HydrophobicContact CD2-CE3 4.12Å; L20-W23 HydrophobicContact CD2-CZ3 4.32Å; L20-W23 VanDerWaalsContact O-CB 3.29Å; L20-W23 WeakPolarHBondContact O-CB 3.29Å; L20-W23 PolarHBondContact O-N 3.43Å; L20-W23 VanDerWaalsContact O-N 3.09Å; W23-A25 VanDerWaalsContact C-N 3.33Å; W23-A25 PolarHBondContact O-N 2.86Å; W23-L26 HydrophobicContact CB-CB 4.35Å; W23-L26 HydrophobicContact CD2-CB 4.46Å; W23-L26 HydrophobicContact CE3-CB 4.26Å; W23-L26 PolarHBondContact O-N 3.44Å; W23-Q27 PolarHBondContact O-N 3.37Å; W23-Q27 VanDerWaalsContact O-N 3.13Å; W23-L69 HydrophobicContact CE3-CD2 4.33Å; W23-L69 HydrophobicContact CH2-CD2 3.47Å; W23-L69 VanDerWaalsContact CH2-CD2 3.47Å; W23-L69 HydrophobicContact CH2-CG 3.75Å; W23-L69 HydrophobicContact CZ3-CD1 4.11Å; W23-L69 HydrophobicContact CZ3-CD2 3.34Å; W23-L69 HydrophobicContact CZ3-CG 3.6Å; W23-L73 HydrophobicContact CH2-CD1 3.21Å; W23-L73 HydrophobicContact CH2-CG 4.29Å; W23-L73 HydrophobicContact CZ2-CD1 3.79Å; W23-L73 HydrophobicContact CZ3-CD1 3.68Å; W23-L73 HydrophobicContact CZ3-CG 4.39Å; W23-V81 HydrophobicContact CZ2-CG1 4.22Å; W23-V81 HydrophobicContact CZ2-CG2 4.41Å; W23-S85 PolarHBondContact NE1-OG 3.2Å; W23-L86 HydrophobicContact CH2-CD1 3.39Å; W23-L86 HydrophobicContact CZ2-CB 4.04Å; W23-L86 HydrophobicContact CZ2-CD1 3.73Å; W23-V89 HydrophobicContact CB-CG2 4.22Å; W23-V89 HydrophobicContact CD2-CB 4.34Å; W23-V89 HydrophobicContact CD2-CG1 4.35Å; W23-V89 HydrophobicContact CD2-CG2 3.81Å; W23-V89 HydrophobicContact CE3-CG1 4.11Å; W23-V89 HydrophobicContact CE3-CG2 4.4Å; W23-V89 HydrophobicContact CG-CG2 3.73Å; W23-V89 HydrophobicContact CZ3-CG1 4.42Å
24P90.1Very high90.7Very high84 Ų8443.4 Ų43.455%0.54525%0.249SC..Hα-helixtrans-61.5-38.3-173.5-2737.8000113.6A22 L26 Q27 I28A22-P24 VanDerWaalsContact O-CD 3.25Å; A22-P24 WeakPolarHBondContact O-CD 3.21Å; P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 2.97Å; P24-Q27 PolarHBondContact O-N 3.39Å; P24-I28 WeakPolarHBondContact O-CB 3.42Å; P24-I28 VanDerWaalsContact O-CG1 3.23Å; P24-I28 WeakPolarHBondContact O-CG1 3.48Å; P24-I28 PolarHBondContact O-N 3.36Å
25A90.8Very high90.4Very high19 Ų1941.7 Ų41.716%0.15724%0.237CC..Hα-helixtrans-58.3-43.3179.100000111.9W23 A29 V81W23-A25 VanDerWaalsContact C-N 3.33Å; W23-A25 PolarHBondContact O-N 2.86Å; A25-A29 WeakPolarHBondContact O-CB 3.41Å; A25-A29 PolarHBondContact O-N 3.23Å; A25-V81 HydrophobicContact CB-CG1 3.98Å; A25-V81 HydrophobicContact CB-CG2 3.75Å
26L90.6Very high90.2Very high3 Ų343.6 Ų43.62%0.01626%0.256CS..Hα-helixtrans-68.9-40.3176.6-17865.8000112L20 W23 P24 A29 V30 L46 L73 F77L20-L26 HydrophobicContact CB-CD2 3.98Å; L20-L26 WeakPolarHBondContact O-CD2 3.46Å; W23-L26 HydrophobicContact CB-CB 4.35Å; W23-L26 HydrophobicContact CD2-CB 4.46Å; W23-L26 HydrophobicContact CE3-CB 4.26Å; W23-L26 PolarHBondContact O-N 3.44Å; P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 2.97Å; L26-A29 PolarHBondContact O-N 3.29Å; L26-V30 HydrophobicContact CD1-CG2 4.38Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.09Å; L26-L46 HydrophobicContact CD1-CD2 3.89Å; L26-L46 HydrophobicContact CD2-CD2 3.66Å; L26-L46 HydrophobicContact CG-CD2 4.45Å; L26-L73 HydrophobicContact CD1-CD2 3.8Å; L26-F77 HydrophobicContact CD1-CD1 4.41Å; L26-F77 HydrophobicContact CD1-CD2 4.28Å; L26-F77 HydrophobicContact CD1-CE1 3.99Å; L26-F77 HydrophobicContact CD1-CE2 3.84Å; L26-F77 HydrophobicContact CD1-CZ 3.68Å
27Q91Very high90Very high62 Ų6250 Ų5029%0.2930%0.296SS..Hα-helixtrans-61.9-48.4176.8-63.8-59.3-86.700110.9E21 W23 P24 A29 V30 E31E21-Q27 VanDerWaalsContact O-CD 3.3Å; E21-Q27 PolarHBondContact O-NE2 2.91Å; W23-Q27 PolarHBondContact O-N 3.37Å; W23-Q27 VanDerWaalsContact O-N 3.13Å; P24-Q27 PolarHBondContact O-N 3.39Å; Q27-A29 VanDerWaalsContact C-N 3.3Å; Q27-A29 PolarHBondContact O-N 3.24Å; Q27-V30 PolarHBondContact O-N 3.31Å; Q27-E31 WeakPolarHBondContact O-CB 3.07Å; Q27-E31 VanDerWaalsContact O-CG 3.28Å; Q27-E31 WeakPolarHBondContact O-CG 3.25Å; Q27-E31 PolarHBondContact O-N 3.47Å
28I90.8Very high89.9Confident88 Ų8854.1 Ų54.145%0.45131%0.312SS..Hα-helixtrans-58.1-44.1176.2-67.1165.9000110.2P24 V30 E31 N32P24-I28 WeakPolarHBondContact O-CB 3.42Å; P24-I28 VanDerWaalsContact O-CG1 3.23Å; P24-I28 WeakPolarHBondContact O-CG1 3.48Å; P24-I28 PolarHBondContact O-N 3.36Å; I28-V30 PolarHBondContact O-N 3.39Å; I28-E31 PolarHBondContact O-N 2.98Å; I28-N32 WeakPolarHBondContact CG2-ND2 3.23Å; I28-N32 WeakPolarHBondContact O-CB 3.47Å; I28-N32 PolarHBondContact O-N 2.86Å; I28-N32 PolarHBondContact O-ND2 3.24Å
29A90.4Very high89.8Confident1 Ų154 Ų541%0.00831%0.31CS..Hα-helixtrans-59.7-46.4177.800000112.2A25 L26 Q27 G33 F34 F77 T79A25-A29 WeakPolarHBondContact O-CB 3.41Å; A25-A29 PolarHBondContact O-N 3.23Å; L26-A29 PolarHBondContact O-N 3.29Å; Q27-A29 VanDerWaalsContact C-N 3.3Å; Q27-A29 PolarHBondContact O-N 3.24Å; A29-G33 PolarHBondContact O-N 3.23Å; A29-F34 HydrophobicContact CB-CB 4Å; A29-F34 HydrophobicContact CB-CD2 3.88Å; A29-F34 HydrophobicContact CB-CG 4.41Å; A29-F34 VanDerWaalsContact O-CB 3.29Å; A29-F34 WeakPolarHBondContact O-CB 3.45Å; A29-F34 PolarHBondContact O-N 2.93Å; A29-F77 HydrophobicContact CB-CB 4.38Å; A29-F77 HydrophobicContact CB-CD1 4.25Å; A29-T79 HydrophobicContact CB-CG2 4.48Å
30V91.1Very high89.7Confident22 Ų2261.1 Ų61.113%0.13334%0.343CS..Hα-helixtrans-65.8-44.1178.1175.30000111.8L26 Q27 I28 G33 S39 Q40 A43 F77L26-V30 HydrophobicContact CD1-CG2 4.38Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.09Å; Q27-V30 PolarHBondContact O-N 3.31Å; I28-V30 PolarHBondContact O-N 3.39Å; V30-G33 PolarHBondContact O-N 2.89Å; V30-S39 PolarHBondContact O-OG 3.23Å; V30-Q40 HydrophobicContact CG1-CB 4.41Å; V30-Q40 HydrophobicContact CG1-CG 3.6Å; V30-A43 HydrophobicContact CG2-CB 3.67Å; V30-F77 HydrophobicContact CG2-CD1 4.5Å; V30-F77 HydrophobicContact CG2-CE1 3.78Å
31E90.1Very high89.7Confident153 Ų15367.8 Ų67.872%0.71537%0.374SS*.Hα-helixtrans-65.2-37.6-179.1-73.8179.294.800112.6Q27 I28 G33Q27-E31 WeakPolarHBondContact O-CB 3.07Å; Q27-E31 VanDerWaalsContact O-CG 3.28Å; Q27-E31 WeakPolarHBondContact O-CG 3.25Å; Q27-E31 PolarHBondContact O-N 3.47Å; I28-E31 PolarHBondContact O-N 2.98Å; E31-G33 VanDerWaalsContact C-N 3.26Å; E31-G33 PolarHBondContact O-N 3.19Å
32N90.3Very high89.8Confident106 Ų10665.4 Ų65.457%0.56736%0.362SS*.THydrogen-bonded Turntrans-83.2-1.4176.9-71.7-85.8000113.1I28 F34I28-N32 WeakPolarHBondContact CG2-ND2 3.23Å; I28-N32 WeakPolarHBondContact O-CB 3.47Å; I28-N32 PolarHBondContact O-N 2.86Å; I28-N32 PolarHBondContact O-ND2 3.24Å; N32-F34 VanDerWaalsContact C-N 3.3Å; N32-F34 HydrophobicContact CB-CD1 4.07Å; N32-F34 HydrophobicContact CB-CD2 4.48Å; N32-F34 HydrophobicContact CB-CE1 3.85Å; N32-F34 HydrophobicContact CB-CE2 4.26Å; N32-F34 HydrophobicContact CB-CG 4.36Å; N32-F34 HydrophobicContact CB-CZ 3.94Å; N32-F34 PolarHBondContact O-N 3.43Å
33G88Confident89.8Confident36 Ų3665 Ų6537%0.37136%0.359SS..THydrogen-bonded Turntrans72.722.1179.900000114A29 V30 E31 G35 G36A29-G33 PolarHBondContact O-N 3.23Å; V30-G33 PolarHBondContact O-N 2.89Å; E31-G33 VanDerWaalsContact C-N 3.26Å; E31-G33 PolarHBondContact O-N 3.19Å; G33-G35 PolarHBondContact O-N 3.21Å; G33-G36 PolarHBondContact O-N 2.94Å
34F87.1Confident89.8Confident96 Ų9673.1 Ų73.142%0.42139%0.394SS..THydrogen-bonded Turntrans-61.8134.1170.3-62.4-17.5000108.9A29 N32 S39 F77 T79A29-F34 HydrophobicContact CB-CB 4Å; A29-F34 HydrophobicContact CB-CD2 3.88Å; A29-F34 HydrophobicContact CB-CG 4.41Å; A29-F34 VanDerWaalsContact O-CB 3.29Å; A29-F34 WeakPolarHBondContact O-CB 3.45Å; A29-F34 PolarHBondContact O-N 2.93Å; N32-F34 VanDerWaalsContact C-N 3.3Å; N32-F34 HydrophobicContact CB-CD1 4.07Å; N32-F34 HydrophobicContact CB-CD2 4.48Å; N32-F34 HydrophobicContact CB-CE1 3.85Å; N32-F34 HydrophobicContact CB-CE2 4.26Å; N32-F34 HydrophobicContact CB-CG 4.36Å; N32-F34 HydrophobicContact CB-CZ 3.94Å; N32-F34 PolarHBondContact O-N 3.43Å; F34-S39 WeakPolarHBondContact O-CB 3.41Å; F34-F77 CarbonylContact C-O 3.48Å; F34-F77 VanDerWaalsContact CB-O 3.24Å; F34-F77 WeakPolarHBondContact CB-O 3.47Å; F34-F77 WeakPolarHBondContact O-CD1 3.39Å; F34-T79 WeakPolarHBondContact CD2-OG1 3.37Å
35G83.3Confident89.9Confident22 Ų2275.8 Ų75.823%0.22739%0.393CS..THydrogen-bonded Turntrans83.94-169.600000116G33 K42 E76 F77G33-G35 PolarHBondContact O-N 3.21Å; G35-K42 PolarHBondContact O-NZ 2.84Å; G35-E76 WeakPolarHBondContact CA-O 3.29Å; G35-F77 PolarHBondContact N-O 3.44Å
36G88.6Confident90Very high39 Ų3974.9 Ų74.940%0.40239%0.386SS..  trans88.8-167.2172.100000114.6G33 H38 S39G33-G36 PolarHBondContact O-N 2.94Å; G36-H38 PolarHBondContact O-N 3.27Å; G36-S39 WeakPolarHBondContact O-CB 3.37Å; G36-S39 PolarHBondContact O-N 3.33Å
37V87.9Confident90Very high136 Ų13674.9 Ų74.982%0.82439%0.386SS*.THydrogen-bonded Turntrans-62.2-13.7-173.3-58.90000114.7
38H89.4Confident90Very high116 Ų11673 Ų7354%0.53738%0.384SS..THydrogen-bonded Turntrans-105.915.9-179.7-58.5-61000113.2G36 Q40 E41 K42G36-H38 PolarHBondContact O-N 3.27Å; H38-Q40 VanDerWaalsContact C-N 3.26Å; H38-Q40 PolarHBondContact O-N 2.95Å; H38-E41 PolarHBondContact O-N 3.06Å; H38-K42 PolarHBondContact O-N 3.43Å
39S90.3Very high90.1Very high8 Ų869.8 Ų69.86%0.05637%0.37CS..Hα-helixtrans-51.6-41-17964.20000113.3V30 F34 G36 K42 A43 F77V30-S39 PolarHBondContact O-OG 3.23Å; F34-S39 WeakPolarHBondContact O-CB 3.41Å; G36-S39 WeakPolarHBondContact O-CB 3.37Å; G36-S39 PolarHBondContact O-N 3.33Å; S39-K42 PolarHBondContact O-N 3.26Å; S39-A43 PolarHBondContact O-N 2.99Å; S39-F77 WeakPolarHBondContact O-CE1 3.48Å
40Q89.9Confident90.3Very high154 Ų15469.8 Ų69.872%0.7237%0.37SS*.Hα-helixtrans-65.1-40176.3-69.8-166.319.100113.3V30 H38 A43 K44V30-Q40 HydrophobicContact CG1-CB 4.41Å; V30-Q40 HydrophobicContact CG1-CG 3.6Å; H38-Q40 VanDerWaalsContact C-N 3.26Å; H38-Q40 PolarHBondContact O-N 2.95Å; Q40-A43 PolarHBondContact O-N 3.33Å; Q40-K44 PolarHBondContact O-N 3.23Å
41E91.9Very high90.3Very high143 Ų14369.4 Ų69.467%0.66837%0.367SS*.Hα-helixtrans-69.9-40.4179.2-169.6169.18200110.6H38 A43 K44 W45H38-E41 PolarHBondContact O-N 3.06Å; E41-A43 VanDerWaalsContact C-N 3.34Å; E41-A43 PolarHBondContact O-N 3.12Å; E41-K44 PolarHBondContact O-N 3.16Å; E41-W45 WeakPolarHBondContact O-CB 3.37Å; E41-W45 PolarHBondContact O-N 2.97Å
42K92Very high90.4Very high51 Ų5165 Ų6522%0.22235%0.348CS..Hα-helixtrans-59-42.2172-71.4176.9165.6-175.10112.1G35 H38 S39 K44 W45 L46 E76 F77G35-K42 PolarHBondContact O-NZ 2.84Å; H38-K42 PolarHBondContact O-N 3.43Å; S39-K42 PolarHBondContact O-N 3.26Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 2.94Å; K42-W45 WeakPolarHBondContact O-CB 3.43Å; K42-W45 PolarHBondContact O-N 3.38Å; K42-L46 WeakPolarHBondContact O-CB 3.25Å; K42-L46 PolarHBondContact O-N 2.94Å; K42-E76 HydrophobicContact CD-CB 4.29Å; K42-E76 WeakPolarHBondContact CD-O 3.3Å; K42-E76 WeakPolarHBondContact CD-OE2 3.45Å; K42-E76 WeakPolarHBondContact CE-OE2 3.49Å; K42-E76 PolarHBondContact NZ-O 2.95Å; K42-E76 IonicContact NZ-OE2 3.39Å; K42-F77 HydrophobicContact CB-CE1 4.18Å; K42-F77 HydrophobicContact CB-CE2 4.32Å; K42-F77 HydrophobicContact CB-CZ 3.73Å
43A90.6Very high90.5Very high23 Ų2362.3 Ų62.319%0.1933%0.331CS..Hα-helixtrans-64-37177.800000112.4V30 S39 Q40 E41 L46 F77V30-A43 HydrophobicContact CG2-CB 3.67Å; S39-A43 PolarHBondContact O-N 2.99Å; Q40-A43 PolarHBondContact O-N 3.33Å; E41-A43 VanDerWaalsContact C-N 3.34Å; E41-A43 PolarHBondContact O-N 3.12Å; A43-L46 WeakPolarHBondContact O-CB 3.34Å; A43-F77 HydrophobicContact CB-CE1 4.45Å; A43-F77 HydrophobicContact CB-CZ 4.1Å
44K90.7Very high90.7Very high174 Ų17460.7 Ų60.776%0.75731%0.313SS*.Hα-helixtrans-69.8-38.5173.6-172.4179.2179.4-1780112Q40 E41 K42Q40-K44 PolarHBondContact O-N 3.23Å; E41-K44 PolarHBondContact O-N 3.16Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 2.94Å
45W92.9Very high90.8Very high139 Ų13958.8 Ų58.853%0.52731%0.306SS..Hα-helixtrans-65.2-41175.9172.384000111.9E41 K42 G47 G48 A49 L72 E76E41-W45 WeakPolarHBondContact O-CB 3.37Å; E41-W45 PolarHBondContact O-N 2.97Å; K42-W45 WeakPolarHBondContact O-CB 3.43Å; K42-W45 PolarHBondContact O-N 3.38Å; W45-G47 VanDerWaalsContact C-N 3.27Å; W45-G47 PolarHBondContact O-N 2.96Å; W45-G48 WeakPolarHBondContact O-CA 3.4Å; W45-G48 PolarHBondContact O-N 3.38Å; W45-A49 HydrophobicContact CD2-CB 4.32Å; W45-A49 HydrophobicContact CE3-CB 4.34Å; W45-A49 HydrophobicContact CH2-CB 3.95Å; W45-A49 HydrophobicContact CZ2-CB 3.91Å; W45-A49 HydrophobicContact CZ3-CB 4.16Å; W45-A49 PolarHBondContact O-N 3.2Å; W45-L72 HydrophobicContact CE3-CD2 4.49Å; W45-L72 HydrophobicContact CH2-CD2 4.05Å; W45-L72 HydrophobicContact CZ3-CD2 3.55Å; W45-L72 HydrophobicContact CZ3-CG 4.48Å; W45-E76 HydrophobicContact CZ3-CG 3.98Å
46L92.6Very high91.1Very high1 Ų166.6 Ų66.61%0.00533%0.329CS..Hα-helixtrans-51.6-44178.4175.564.3000111.9L20 L26 K42 A43 G48 A49 V50 L69 L72 F77L20-L46 HydrophobicContact CD1-CD2 4.35Å; L20-L46 HydrophobicContact CD1-CG 3.94Å; L20-L46 HydrophobicContact CD2-CD2 4.08Å; L20-L46 HydrophobicContact CD2-CG 4.34Å; L26-L46 HydrophobicContact CD1-CD2 3.89Å; L26-L46 HydrophobicContact CD2-CD2 3.66Å; L26-L46 HydrophobicContact CG-CD2 4.45Å; K42-L46 WeakPolarHBondContact O-CB 3.25Å; K42-L46 PolarHBondContact O-N 2.94Å; A43-L46 WeakPolarHBondContact O-CB 3.34Å; L46-G48 VanDerWaalsContact C-N 3.29Å; L46-G48 PolarHBondContact O-N 3Å; L46-A49 PolarHBondContact O-N 3.17Å; L46-V50 HydrophobicContact CD1-CG2 3.9Å; L46-V50 HydrophobicContact CG-CG2 4.36Å; L46-V50 WeakPolarHBondContact O-CB 3.27Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.22Å; L46-V50 PolarHBondContact O-N 2.93Å; L46-L69 HydrophobicContact CD1-CD1 4.38Å; L46-L72 HydrophobicContact CD1-CB 4.21Å; L46-L72 HydrophobicContact CD1-CD2 3.13Å; L46-L72 HydrophobicContact CD1-CG 4.26Å; L46-L72 HydrophobicContact CG-CD2 4.49Å; L46-F77 HydrophobicContact CD2-CE2 4.34Å
47G91.3Very high91Very high2 Ų267.6 Ų67.62%0.02133%0.325CS..Hα-helixtrans-60.7-35.9177.200000114.1L20 W45 E51L20-G47 VanDerWaalsContact CD1-CA 3.48Å; W45-G47 VanDerWaalsContact C-N 3.27Å; W45-G47 PolarHBondContact O-N 2.96Å; G47-E51 WeakPolarHBondContact O-CB 3.4Å; G47-E51 PolarHBondContact O-N 3.14Å
48G91.6Very high90.4Very high23 Ų2364.2 Ų64.224%0.23731%0.311CS..Hα-helixtrans-76.1-37.1174.100000113.1W45 L46 E51 D52W45-G48 WeakPolarHBondContact O-CA 3.4Å; W45-G48 PolarHBondContact O-N 3.38Å; L46-G48 VanDerWaalsContact C-N 3.29Å; L46-G48 PolarHBondContact O-N 3Å; G48-E51 PolarHBondContact O-N 3.45Å; G48-D52 WeakPolarHBondContact O-CB 3.46Å; G48-D52 PolarHBondContact O-N 2.83Å
49A92.8Very high90.2Very high20 Ų2065.5 Ų65.517%0.16532%0.322CS..Hα-helixtrans-64.2-44.7177.300000111.6W45 L46 D52 Y53 L72W45-A49 HydrophobicContact CD2-CB 4.32Å; W45-A49 HydrophobicContact CE3-CB 4.34Å; W45-A49 HydrophobicContact CH2-CB 3.95Å; W45-A49 HydrophobicContact CZ2-CB 3.91Å; W45-A49 HydrophobicContact CZ3-CB 4.16Å; W45-A49 PolarHBondContact O-N 3.2Å; L46-A49 PolarHBondContact O-N 3.17Å; A49-D52 PolarHBondContact O-N 3.33Å; A49-Y53 WeakPolarHBondContact O-CB 3.28Å; A49-Y53 PolarHBondContact O-N 2.85Å; A49-L72 HydrophobicContact CB-CD2 4.45Å
50V93.1Very high90.1Very high1 Ų165.7 Ų65.71%0.00632%0.322CS..Hα-helixtrans-63.6-45.9175.6175.80000110.5V16 L20 L46 D52 Y53 F54 F68 L69 L93V16-V50 HydrophobicContact CG1-CB 3.82Å; V16-V50 HydrophobicContact CG1-CG1 3.58Å; L20-V50 HydrophobicContact CD1-CG2 4.26Å; L46-V50 HydrophobicContact CD1-CG2 3.9Å; L46-V50 HydrophobicContact CG-CG2 4.36Å; L46-V50 WeakPolarHBondContact O-CB 3.27Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.22Å; L46-V50 PolarHBondContact O-N 2.93Å; V50-D52 VanDerWaalsContact C-N 3.35Å; V50-D52 PolarHBondContact O-N 3.37Å; V50-Y53 WeakPolarHBondContact O-CB 3.49Å; V50-Y53 PolarHBondContact O-N 3.4Å; V50-F54 HydrophobicContact CG1-CD2 3.76Å; V50-F54 HydrophobicContact CG1-CE2 3.6Å; V50-F54 VanDerWaalsContact O-CD2 3.23Å; V50-F54 WeakPolarHBondContact O-CD2 3.35Å; V50-F54 PolarHBondContact O-N 2.95Å; V50-F54 VanDerWaalsContact O-N 3.09Å; V50-F68 HydrophobicContact CG2-CE1 4.1Å; V50-L69 HydrophobicContact CG2-CD1 3.96Å; V50-L93 HydrophobicContact CG1-CD1 4.07Å
51E92.2Very high90.1Very high15 Ų1564.4 Ų64.47%0.0732%0.317CS..Hα-helixtrans-54.5-50.7174.4-176-151.8163.700111.6R9 F12 R13 G47 G48 Y53 F54 M55R9-E51 IonicContact CZ-OE1 3.25Å; R9-E51 IonicContact NE-OE1 3.22Å; R9-E51 PolarHBondContact NE-OE1 2.83Å; R9-E51 IonicContact NH2-OE1 3.27Å; R9-E51 PolarHBondContact NH2-OE1 3.15Å; F12-E51 HydrophobicContact CD1-CG 4.28Å; F12-E51 HydrophobicContact CE1-CG 4.47Å; R13-E51 HydrophobicContact CB-CG 4.16Å; R13-E51 WeakPolarHBondContact CD-OE2 3.18Å; R13-E51 HydrophobicContact CG-CG 4.36Å; R13-E51 VanDerWaalsContact CG-OE2 3.25Å; R13-E51 WeakPolarHBondContact CG-OE2 3.47Å; R13-E51 IonicContact NE-OE2 3.68Å; R13-E51 PolarHBondContact NE-OE2 3.36Å; G47-E51 WeakPolarHBondContact O-CB 3.4Å; G47-E51 PolarHBondContact O-N 3.14Å; G48-E51 PolarHBondContact O-N 3.45Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.92Å; E51-F54 PolarHBondContact O-N 2.95Å; E51-M55 HydrophobicContact CG-CG 4.43Å; E51-M55 VanDerWaalsContact O-CG 3.25Å; E51-M55 WeakPolarHBondContact O-CG 3.49Å; E51-M55 PolarHBondContact O-N 3.45Å
52D92.2Very high90Very high60 Ų6059.9 Ų59.932%0.32130%0.297SS..Hα-helixtrans-63.3-37.2-178.4-163.9-115.7000111.9G48 A49 V50 M55 R56G48-D52 WeakPolarHBondContact O-CB 3.46Å; G48-D52 PolarHBondContact O-N 2.83Å; A49-D52 PolarHBondContact O-N 3.33Å; V50-D52 VanDerWaalsContact C-N 3.35Å; V50-D52 PolarHBondContact O-N 3.37Å; D52-M55 PolarHBondContact O-N 2.88Å; D52-R56 VanDerWaalsContact O-CG 3.3Å; D52-R56 WeakPolarHBondContact O-CG 3.45Å; D52-R56 PolarHBondContact O-N 3.28Å; D52-R56 IonicContact OD1-CZ 3.13Å; D52-R56 IonicContact OD1-NE 2.68Å; D52-R56 PolarHBondContact OD1-NE 2.95Å; D52-R56 IonicContact OD1-NH2 2.79Å; D52-R56 PolarHBondContact OD1-NH2 3.29Å; D52-R56 IonicContact OD2-NE 3.84Å; D52-R56 IonicContact OD2-NH2 3.89Å
53Y92.7Very high90Very high50 Ų5063.1 Ų63.120%0.19632%0.316CS..Hα-helixtrans-60.1-48.2174.8-176.1-108000112.2A49 V50 E51 M55 R56 N57 L60 F68A49-Y53 WeakPolarHBondContact O-CB 3.28Å; A49-Y53 PolarHBondContact O-N 2.85Å; V50-Y53 WeakPolarHBondContact O-CB 3.49Å; V50-Y53 PolarHBondContact O-N 3.4Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.92Å; Y53-M55 VanDerWaalsContact C-N 3.34Å; Y53-M55 PolarHBondContact O-N 3.01Å; Y53-R56 PolarHBondContact O-N 3.47Å; Y53-N57 WeakPolarHBondContact CD2-ND2 3.4Å; Y53-N57 WeakPolarHBondContact CE2-ND2 3.49Å; Y53-N57 PolarHBondContact O-N 3.37Å; Y53-N57 VanDerWaalsContact O-N 3.14Å; Y53-N57 PolarHBondContact O-ND2 3.32Å; Y53-L60 HydrophobicContact CD1-CD1 3.76Å; Y53-L60 HydrophobicContact CD1-CD2 4.38Å; Y53-L60 HydrophobicContact CE1-CD1 3.62Å; Y53-L60 HydrophobicContact CE1-CD2 3.47Å; Y53-L60 VanDerWaalsContact CE1-CD2 3.47Å; Y53-L60 HydrophobicContact CE1-CG 4.21Å; Y53-F68 AromaticContact CD1-CD1 3.74Å; Y53-F68 HydrophobicContact CD1-CD1 3.74Å; Y53-F68 AromaticContact CD1-CE1 3.91Å; Y53-F68 HydrophobicContact CD1-CE1 3.91Å; Y53-F68 HydrophobicContact CD1-CG 4.11Å; Y53-F68 HydrophobicContact CD1-CZ 4.43Å; Y53-F68 HydrophobicContact CD2-CD1 4.5Å; Y53-F68 HydrophobicContact CD2-CD2 4.08Å; Y53-F68 HydrophobicContact CD2-CE1 4.36Å; Y53-F68 AromaticContact CD2-CE2 3.92Å; Y53-F68 HydrophobicContact CD2-CE2 3.92Å; Y53-F68 HydrophobicContact CD2-CG 4.36Å; Y53-F68 HydrophobicContact CD2-CZ 4.06Å; Y53-F68 HydrophobicContact CE1-CB 4.12Å; Y53-F68 AromaticContact CE1-CD1 3.98Å; Y53-F68 HydrophobicContact CE1-CD1 3.98Å; Y53-F68 AromaticContact CE1-CG 3.96Å; Y53-F68 HydrophobicContact CE1-CG 3.96Å; Y53-F68 HydrophobicContact CE2-CD2 4.02Å; Y53-F68 HydrophobicContact CE2-CE2 4.31Å; Y53-F68 HydrophobicContact CE2-CG 4.24Å; Y53-F68 HydrophobicContact CG-CD1 4.01Å; Y53-F68 HydrophobicContact CG-CD2 4.38Å; Y53-F68 AromaticContact CG-CE1 3.78Å; Y53-F68 HydrophobicContact CG-CE1 3.78Å; Y53-F68 HydrophobicContact CG-CE2 4.17Å; Y53-F68 HydrophobicContact CG-CG 4.3Å; Y53-F68 AromaticContact CG-CZ 3.86Å; Y53-F68 HydrophobicContact CG-CZ 3.86Å
54F91.2Very high90.2Very high1 Ų166 Ų660%0.00433%0.326CS..Hα-helixtrans-66.1-34.1175.1-80.9-77000112.7F12 V50 E51 R56 L60 V65 L93 F97F12-F54 HydrophobicContact CE1-CB 3.79Å; F12-F54 HydrophobicContact CE1-CD2 4.38Å; F12-F54 HydrophobicContact CE1-CG 4.23Å; F12-F54 HydrophobicContact CZ-CB 3.78Å; F12-F54 HydrophobicContact CZ-CD1 4.35Å; F12-F54 AromaticContact CZ-CD2 3.9Å; F12-F54 HydrophobicContact CZ-CD2 3.9Å; F12-F54 AromaticContact CZ-CG 3.76Å; F12-F54 HydrophobicContact CZ-CG 3.76Å; V50-F54 HydrophobicContact CG1-CD2 3.76Å; V50-F54 HydrophobicContact CG1-CE2 3.6Å; V50-F54 VanDerWaalsContact O-CD2 3.23Å; V50-F54 WeakPolarHBondContact O-CD2 3.35Å; V50-F54 PolarHBondContact O-N 2.95Å; V50-F54 VanDerWaalsContact O-N 3.09Å; E51-F54 PolarHBondContact O-N 2.95Å; F54-R56 VanDerWaalsContact C-N 3.3Å; F54-R56 PolarHBondContact O-N 2.86Å; F54-L60 HydrophobicContact CD1-CD1 3.39Å; F54-L60 HydrophobicContact CE1-CB 4.48Å; F54-L60 HydrophobicContact CE1-CD1 3.63Å; F54-L60 HydrophobicContact CG-CD1 3.99Å; F54-L60 HydrophobicContact CZ-CD1 4.42Å; F54-V65 HydrophobicContact CE1-CG2 3.81Å; F54-V65 HydrophobicContact CE2-CG1 4.29Å; F54-V65 HydrophobicContact CZ-CB 4.36Å; F54-V65 HydrophobicContact CZ-CG1 3.71Å; F54-V65 HydrophobicContact CZ-CG2 3.61Å; F54-L93 HydrophobicContact CE2-CB 3.91Å; F54-L93 HydrophobicContact CE2-CD1 4.4Å; F54-L93 HydrophobicContact CZ-CB 3.76Å; F54-F97 HydrophobicContact CB-CD2 3.85Å; F54-F97 HydrophobicContact CB-CE2 3.93Å; F54-F97 HydrophobicContact CB-CG 4.47Å; F54-F97 HydrophobicContact CD1-CB 3.84Å; F54-F97 AromaticContact CD1-CD1 3.97Å; F54-F97 HydrophobicContact CD1-CD1 3.97Å; F54-F97 AromaticContact CD1-CD2 3.88Å; F54-F97 HydrophobicContact CD1-CD2 3.88Å; F54-F97 HydrophobicContact CD1-CE1 4.49Å; F54-F97 HydrophobicContact CD1-CE2 4.42Å; F54-F97 AromaticContact CD1-CG 3.63Å; F54-F97 HydrophobicContact CD1-CG 3.63Å; F54-F97 HydrophobicContact CE1-CB 4.11Å; F54-F97 HydrophobicContact CE1-CG 4.31Å; F54-F97 HydrophobicContact CG-CD2 4.21Å; F54-F97 HydrophobicContact CG-CG 4.38Å; F54-F97 VanDerWaalsContact O-CE2 3.24Å; F54-F97 WeakPolarHBondContact O-CE2 3.49Å; F54-F97 WeakPolarHBondContact O-CZ 3.37Å
55M89Confident90.3Very high57 Ų5757.8 Ų57.828%0.28129%0.29SS..Hα-helixtrans-71.3-25.9177.9-67.7-64.8134.100112.9R9 F12 E51 D52 Y53 F97 F100R9-M55 HydrophobicContact CG-CE 4.42Å; R9-M55 HydrophobicContact CG-SD 4.31Å; F12-M55 HydrophobicContact CD1-CE 3.35Å; F12-M55 HydrophobicContact CE1-CE 3.7Å; F12-M55 HydrophobicContact CG-CE 4.15Å; E51-M55 HydrophobicContact CG-CG 4.43Å; E51-M55 VanDerWaalsContact O-CG 3.25Å; E51-M55 WeakPolarHBondContact O-CG 3.49Å; E51-M55 PolarHBondContact O-N 3.45Å; D52-M55 PolarHBondContact O-N 2.88Å; Y53-M55 VanDerWaalsContact C-N 3.34Å; Y53-M55 PolarHBondContact O-N 3.01Å; M55-F97 HydrophobicContact CE-CE2 4.44Å; M55-F100 HydrophobicContact CE-CD1 4.07Å; M55-F100 HydrophobicContact CE-CE1 3.59Å; M55-F100 HydrophobicContact CE-CE2 4.42Å; M55-F100 HydrophobicContact CE-CZ 3.79Å; M55-F100 HydrophobicContact SD-CE1 3.97Å; M55-F100 HydrophobicContact SD-CZ 4.02Å
56R89.1Confident90.3Very high186 Ų18654 Ų5470%0.70228%0.278SS*.Hα-helixtrans-84.5-28.9177.5-72.1177.4-168.6-126.56.6113.2D52 Y53 F54D52-R56 VanDerWaalsContact O-CG 3.3Å; D52-R56 WeakPolarHBondContact O-CG 3.45Å; D52-R56 PolarHBondContact O-N 3.28Å; D52-R56 IonicContact OD1-CZ 3.13Å; D52-R56 IonicContact OD1-NE 2.68Å; D52-R56 PolarHBondContact OD1-NE 2.95Å; D52-R56 IonicContact OD1-NH2 2.79Å; D52-R56 PolarHBondContact OD1-NH2 3.29Å; D52-R56 IonicContact OD2-NE 3.84Å; D52-R56 IonicContact OD2-NH2 3.89Å; Y53-R56 PolarHBondContact O-N 3.47Å; F54-R56 VanDerWaalsContact C-N 3.3Å; F54-R56 PolarHBondContact O-N 2.86Å
57N87.3Confident90.4Very high60 Ų6059.4 Ų59.432%0.32131%0.307SS..  trans-116.1108.5-175.6-58.6-64.3000109.9Y53 D59 L60Y53-N57 WeakPolarHBondContact CD2-ND2 3.4Å; Y53-N57 WeakPolarHBondContact CE2-ND2 3.49Å; Y53-N57 PolarHBondContact O-N 3.37Å; Y53-N57 VanDerWaalsContact O-N 3.14Å; Y53-N57 PolarHBondContact O-ND2 3.32Å; N57-D59 VanDerWaalsContact C-N 3.34Å; N57-L60 HydrophobicContact CB-CD1 3.82Å; N57-L60 HydrophobicContact CB-CD2 3.55Å; N57-L60 HydrophobicContact CB-CG 3.5Å
58A76Confident90.5Very high64 Ų6461.4 Ų61.453%0.52932%0.315SS..SBendtrans-77.6-20-177.300000113.7Q101A58-Q101 PolarHBondContact O-NE2 3.42Å; A58-Q101 VanDerWaalsContact O-NE2 3.15Å
59D84.1Confident90.6Very high143 Ų14360.3 Ų60.377%0.76530%0.304SS*.SBendtrans-131.990.3-176.3-152.5-113.8000107N57N57-D59 VanDerWaalsContact C-N 3.34Å
60L88.6Confident90.6Very high12 Ų1260.2 Ų60.26%0.06331%0.305CS..  trans-110.1121.7178.7-77.6169.9000108.9Y53 F54 N57 E64 V65 Q94Y53-L60 HydrophobicContact CD1-CD1 3.76Å; Y53-L60 HydrophobicContact CD1-CD2 4.38Å; Y53-L60 HydrophobicContact CE1-CD1 3.62Å; Y53-L60 HydrophobicContact CE1-CD2 3.47Å; Y53-L60 VanDerWaalsContact CE1-CD2 3.47Å; Y53-L60 HydrophobicContact CE1-CG 4.21Å; F54-L60 HydrophobicContact CD1-CD1 3.39Å; F54-L60 HydrophobicContact CE1-CB 4.48Å; F54-L60 HydrophobicContact CE1-CD1 3.63Å; F54-L60 HydrophobicContact CG-CD1 3.99Å; F54-L60 HydrophobicContact CZ-CD1 4.42Å; N57-L60 HydrophobicContact CB-CD1 3.82Å; N57-L60 HydrophobicContact CB-CD2 3.55Å; N57-L60 HydrophobicContact CB-CG 3.5Å; L60-E64 HydrophobicContact CD2-CB 4.31Å; L60-V65 HydrophobicContact CB-CG2 3.97Å; L60-V65 HydrophobicContact CD1-CG2 4.3Å; L60-Q94 PolarHBondContact O-NE2 2.94Å
61E90.4Very high90.7Very high128 Ų12865.4 Ų65.460%0.59833%0.329SS*.  trans-74.6161.7171.1-62.6-162.7100.500111.2D63 E64 V65E61-D63 VanDerWaalsContact C-N 3.32Å; E61-D63 PolarHBondContact O-N 2.77Å; E61-E64 HydrophobicContact CB-CG 4.27Å; E61-E64 PolarHBondContact N-OE2 2.8Å; E61-E64 PolarHBondContact O-N 3.4Å; E61-V65 WeakPolarHBondContact O-CG2 3.47Å; E61-V65 PolarHBondContact O-N 3.23Å
62L90.5Very high90.7Very high48 Ų4865.6 Ų65.625%0.25133%0.331SS..Hα-helixtrans-62-45.3-177.4-179.566.5000110.6E64 V65 E66 Q91 Q94L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.91Å; L62-V65 PolarHBondContact O-N 3.17Å; L62-E66 WeakPolarHBondContact O-CB 3.4Å; L62-E66 PolarHBondContact O-N 2.89Å; L62-Q91 VanDerWaalsContact CD1-CA 3.42Å; L62-Q91 HydrophobicContact CD1-CB 3.76Å; L62-Q91 VanDerWaalsContact CD1-N 3.26Å; L62-Q94 VanDerWaalsContact N-NE2 3.19Å
63D91.6Very high90.7Very high118 Ų11862.9 Ų62.963%0.63132%0.316SS*.Hα-helixtrans-61-36179.1-56.7-99.3000112.1E61 E66 D67E61-D63 VanDerWaalsContact C-N 3.32Å; E61-D63 PolarHBondContact O-N 2.77Å; D63-E66 PolarHBondContact O-N 3.4Å; D63-D67 VanDerWaalsContact O-CB 3.27Å; D63-D67 WeakPolarHBondContact O-CB 3.33Å; D63-D67 PolarHBondContact O-N 2.96Å
64E93.6Very high90.8Very high83 Ų8363.2 Ų63.239%0.38832%0.323SS..Hα-helixtrans-68.9-38.8177.5-65.8-178.3106.200112.4L60 E61 L62 F68L60-E64 HydrophobicContact CD2-CB 4.31Å; E61-E64 HydrophobicContact CB-CG 4.27Å; E61-E64 PolarHBondContact N-OE2 2.8Å; E61-E64 PolarHBondContact O-N 3.4Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.91Å; E64-F68 WeakPolarHBondContact O-CB 3.48Å; E64-F68 PolarHBondContact O-N 3.13Å; E64-F68 VanDerWaalsContact O-N 3.09Å
65V92.8Very high90.8Very high2 Ų268.1 Ų68.11%0.01235%0.349CS..Hα-helixtrans-68.9-40.7175.4178.30000110.1F54 L60 E61 L62 L69F54-V65 HydrophobicContact CE1-CG2 3.81Å; F54-V65 HydrophobicContact CE2-CG1 4.29Å; F54-V65 HydrophobicContact CZ-CB 4.36Å; F54-V65 HydrophobicContact CZ-CG1 3.71Å; F54-V65 HydrophobicContact CZ-CG2 3.61Å; L60-V65 HydrophobicContact CB-CG2 3.97Å; L60-V65 HydrophobicContact CD1-CG2 4.3Å; E61-V65 WeakPolarHBondContact O-CG2 3.47Å; E61-V65 PolarHBondContact O-N 3.23Å; L62-V65 PolarHBondContact O-N 3.17Å; V65-L69 VanDerWaalsContact O-CB 3.22Å; V65-L69 WeakPolarHBondContact O-CB 3.31Å; V65-L69 PolarHBondContact O-N 3.24Å
66E93.9Very high91Very high59 Ų5968.1 Ų68.128%0.27635%0.349SS..Hα-helixtrans-62.4-51.2178.8-169.7178.5156.400111.8L62 D63 L69 G70 L86 P87 S90L62-E66 WeakPolarHBondContact O-CB 3.4Å; L62-E66 PolarHBondContact O-N 2.89Å; D63-E66 PolarHBondContact O-N 3.4Å; E66-L69 PolarHBondContact O-N 3.22Å; E66-G70 PolarHBondContact O-N 3.45Å; E66-L86 HydrophobicContact CG-CD2 3.75Å; E66-L86 HydrophobicContact CG-CG 3.8Å; E66-P87 WeakPolarHBondContact OE2-CB 3.25Å; E66-S90 WeakPolarHBondContact CA-OG 3.45Å
67D93.5Very high91.1Very high115 Ų11559.3 Ų59.362%0.61532%0.316SS*.Hα-helixtrans-60.4-47.3178.3-169.8-103.9000110.8D63 L69 G70 E71D63-D67 VanDerWaalsContact O-CB 3.27Å; D63-D67 WeakPolarHBondContact O-CB 3.33Å; D63-D67 PolarHBondContact O-N 2.96Å; D67-L69 PolarHBondContact O-N 3.05Å; D67-G70 PolarHBondContact O-N 3.41Å; D67-E71 WeakPolarHBondContact O-CB 3.18Å; D67-E71 PolarHBondContact O-N 2.89Å
68F94.2Very high91.3Very high44 Ų4463.5 Ų63.519%0.19334%0.338CS..Hα-helixtrans-58-45.1175.9173-107.4000112.8V50 Y53 E64 L72V50-F68 HydrophobicContact CG2-CE1 4.1Å; Y53-F68 AromaticContact CD1-CD1 3.74Å; Y53-F68 HydrophobicContact CD1-CD1 3.74Å; Y53-F68 AromaticContact CD1-CE1 3.91Å; Y53-F68 HydrophobicContact CD1-CE1 3.91Å; Y53-F68 HydrophobicContact CD1-CG 4.11Å; Y53-F68 HydrophobicContact CD1-CZ 4.43Å; Y53-F68 HydrophobicContact CD2-CD1 4.5Å; Y53-F68 HydrophobicContact CD2-CD2 4.08Å; Y53-F68 HydrophobicContact CD2-CE1 4.36Å; Y53-F68 AromaticContact CD2-CE2 3.92Å; Y53-F68 HydrophobicContact CD2-CE2 3.92Å; Y53-F68 HydrophobicContact CD2-CG 4.36Å; Y53-F68 HydrophobicContact CD2-CZ 4.06Å; Y53-F68 HydrophobicContact CE1-CB 4.12Å; Y53-F68 AromaticContact CE1-CD1 3.98Å; Y53-F68 HydrophobicContact CE1-CD1 3.98Å; Y53-F68 AromaticContact CE1-CG 3.96Å; Y53-F68 HydrophobicContact CE1-CG 3.96Å; Y53-F68 HydrophobicContact CE2-CD2 4.02Å; Y53-F68 HydrophobicContact CE2-CE2 4.31Å; Y53-F68 HydrophobicContact CE2-CG 4.24Å; Y53-F68 HydrophobicContact CG-CD1 4.01Å; Y53-F68 HydrophobicContact CG-CD2 4.38Å; Y53-F68 AromaticContact CG-CE1 3.78Å; Y53-F68 HydrophobicContact CG-CE1 3.78Å; Y53-F68 HydrophobicContact CG-CE2 4.17Å; Y53-F68 HydrophobicContact CG-CG 4.3Å; Y53-F68 AromaticContact CG-CZ 3.86Å; Y53-F68 HydrophobicContact CG-CZ 3.86Å; E64-F68 WeakPolarHBondContact O-CB 3.48Å; E64-F68 PolarHBondContact O-N 3.13Å; E64-F68 VanDerWaalsContact O-N 3.09Å; F68-L72 HydrophobicContact CD2-CD1 3.9Å; F68-L72 HydrophobicContact CE1-CD1 4.05Å; F68-L72 HydrophobicContact CE2-CD1 3.34Å; F68-L72 HydrophobicContact CG-CD1 4.47Å; F68-L72 HydrophobicContact CZ-CD1 3.44Å; F68-L72 VanDerWaalsContact CZ-CD1 3.44Å; F68-L72 PolarHBondContact O-N 2.97Å
69L93.8Very high92Very high1 Ų161.4 Ų61.41%0.00532%0.319CS..Hα-helixtrans-72.4-37.2-177.6-162.866.8000111.6L20 W23 L46 V50 V65 E66 D67 L72 L73 L86 V89 L93L20-L69 HydrophobicContact CD2-CD1 4.05Å; W23-L69 HydrophobicContact CE3-CD2 4.33Å; W23-L69 HydrophobicContact CH2-CD2 3.47Å; W23-L69 VanDerWaalsContact CH2-CD2 3.47Å; W23-L69 HydrophobicContact CH2-CG 3.75Å; W23-L69 HydrophobicContact CZ3-CD1 4.11Å; W23-L69 HydrophobicContact CZ3-CD2 3.34Å; W23-L69 HydrophobicContact CZ3-CG 3.6Å; L46-L69 HydrophobicContact CD1-CD1 4.38Å; V50-L69 HydrophobicContact CG2-CD1 3.96Å; V65-L69 VanDerWaalsContact O-CB 3.22Å; V65-L69 WeakPolarHBondContact O-CB 3.31Å; V65-L69 PolarHBondContact O-N 3.24Å; E66-L69 PolarHBondContact O-N 3.22Å; D67-L69 PolarHBondContact O-N 3.05Å; L69-L72 PolarHBondContact O-N 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.31Å; L69-L73 PolarHBondContact O-N 2.96Å; L69-L86 HydrophobicContact CB-CD1 4.02Å; L69-L86 HydrophobicContact CD2-CD1 4.07Å; L69-L86 HydrophobicContact CG-CD1 4.11Å; L69-V89 HydrophobicContact CD2-CG1 4.02Å; L69-L93 HydrophobicContact CD2-CD1 4.32Å
70G93.4Very high92.3Very high17 Ų1759.5 Ų59.518%0.17531%0.312CS..Hα-helixtrans-66-42.9174.100000112.4E66 D67 L72 L73 T74E66-G70 PolarHBondContact O-N 3.45Å; D67-G70 PolarHBondContact O-N 3.41Å; G70-L72 VanDerWaalsContact C-N 3.35Å; G70-L73 PolarHBondContact O-N 3.37Å; G70-T74 WeakPolarHBondContact O-CB 3.43Å; G70-T74 PolarHBondContact O-N 3.47Å; G70-T74 PolarHBondContact O-OG1 2.71Å
71E94.4Very high92.4Very high111 Ų11160 Ų6052%0.51932%0.316SS..Hα-helixtrans-64.5-40.6175.8-153-168.69100110.7D67 T74 N75D67-E71 WeakPolarHBondContact O-CB 3.18Å; D67-E71 PolarHBondContact O-N 2.89Å; E71-T74 PolarHBondContact O-N 3.29Å; E71-N75 VanDerWaalsContact O-CB 3.25Å; E71-N75 WeakPolarHBondContact O-CB 3.44Å; E71-N75 PolarHBondContact O-N 3.37Å; E71-N75 PolarHBondContact O-ND2 3Å
72L93.1Very high92.3Very high19 Ų1962.7 Ų62.710%0.09933%0.328CS..Hα-helixtrans-63.9-43.1175.2-112.797.7000112.9W45 L46 A49 F68 L69 G70 T74 N75 E76W45-L72 HydrophobicContact CE3-CD2 4.49Å; W45-L72 HydrophobicContact CH2-CD2 4.05Å; W45-L72 HydrophobicContact CZ3-CD2 3.55Å; W45-L72 HydrophobicContact CZ3-CG 4.48Å; L46-L72 HydrophobicContact CD1-CB 4.21Å; L46-L72 HydrophobicContact CD1-CD2 3.13Å; L46-L72 HydrophobicContact CD1-CG 4.26Å; L46-L72 HydrophobicContact CG-CD2 4.49Å; A49-L72 HydrophobicContact CB-CD2 4.45Å; F68-L72 HydrophobicContact CD2-CD1 3.9Å; F68-L72 HydrophobicContact CE1-CD1 4.05Å; F68-L72 HydrophobicContact CE2-CD1 3.34Å; F68-L72 HydrophobicContact CG-CD1 4.47Å; F68-L72 HydrophobicContact CZ-CD1 3.44Å; F68-L72 VanDerWaalsContact CZ-CD1 3.44Å; F68-L72 PolarHBondContact O-N 2.97Å; L69-L72 PolarHBondContact O-N 3.44Å; G70-L72 VanDerWaalsContact C-N 3.35Å; L72-T74 VanDerWaalsContact C-N 3.32Å; L72-N75 PolarHBondContact O-N 3.49Å; L72-E76 VanDerWaalsContact O-CB 3.25Å; L72-E76 WeakPolarHBondContact O-CB 3.25Å; L72-E76 PolarHBondContact O-N 3.33Å
73L92.3Very high92.2Very high2 Ų266.3 Ų66.31%0.0135%0.348CS..Hα-helixtrans-64.5-39.1177.1-77.6178000112W23 L26 L69 G70 F77 D78 T79 V81W23-L73 HydrophobicContact CH2-CD1 3.21Å; W23-L73 HydrophobicContact CH2-CG 4.29Å; W23-L73 HydrophobicContact CZ2-CD1 3.79Å; W23-L73 HydrophobicContact CZ3-CD1 3.68Å; W23-L73 HydrophobicContact CZ3-CG 4.39Å; L26-L73 HydrophobicContact CD1-CD2 3.8Å; L69-L73 WeakPolarHBondContact O-CG 3.31Å; L69-L73 PolarHBondContact O-N 2.96Å; G70-L73 PolarHBondContact O-N 3.37Å; L73-F77 HydrophobicContact CD2-CD2 3.91Å; L73-F77 HydrophobicContact CD2-CE2 4.45Å; L73-F77 HydrophobicContact CD2-CG 4.43Å; L73-F77 CarbonylContact O-C 3.37Å; L73-F77 VanDerWaalsContact O-CA 3.3Å; L73-F77 WeakPolarHBondContact O-CA 3.43Å; L73-F77 VanDerWaalsContact O-CB 3.29Å; L73-F77 WeakPolarHBondContact O-CB 3.41Å; L73-F77 PolarHBondContact O-N 2.85Å; L73-D78 PolarHBondContact O-N 3.31Å; L73-T79 CarbonylContact C-O 3.29Å; L73-T79 VanDerWaalsContact C-O 3.29Å; L73-T79 PolarHBondContact O-N 2.87Å; L73-T79 VanDerWaalsContact O-N 3.17Å; L73-V81 HydrophobicContact CD1-CG2 3.56Å
74T93.1Very high92.1Very high57 Ų5762.8 Ų62.835%0.3534%0.339SS..Hα-helixtrans-67.6-47177.1-55.20000110.8G70 E71 L72 D78 T79G70-T74 WeakPolarHBondContact O-CB 3.43Å; G70-T74 PolarHBondContact O-N 3.47Å; G70-T74 PolarHBondContact O-OG1 2.71Å; E71-T74 PolarHBondContact O-N 3.29Å; L72-T74 VanDerWaalsContact C-N 3.32Å; T74-D78 WeakPolarHBondContact O-CA 3.13Å; T74-D78 PolarHBondContact O-N 2.88Å; T74-T79 PolarHBondContact N-O 3.31Å
75N92.8Very high92Very high104 Ų10459.4 Ų59.456%0.55632%0.324SS*.Hα-helixtrans-73.7-45-175.7-68.6-11.4000112.9E71 L72E71-N75 VanDerWaalsContact O-CB 3.25Å; E71-N75 WeakPolarHBondContact O-CB 3.44Å; E71-N75 PolarHBondContact O-N 3.37Å; E71-N75 PolarHBondContact O-ND2 3Å; L72-N75 PolarHBondContact O-N 3.49Å
76E93Very high92Very high58 Ų5860.2 Ų60.227%0.27133%0.329SS..Hα-helixtrans-88.3-33.6-173.8-69.2-62.1114.600112.9G35 K42 W45 L72G35-E76 WeakPolarHBondContact CA-O 3.29Å; K42-E76 HydrophobicContact CD-CB 4.29Å; K42-E76 WeakPolarHBondContact CD-O 3.3Å; K42-E76 WeakPolarHBondContact CD-OE2 3.45Å; K42-E76 WeakPolarHBondContact CE-OE2 3.49Å; K42-E76 PolarHBondContact NZ-O 2.95Å; K42-E76 IonicContact NZ-OE2 3.39Å; W45-E76 HydrophobicContact CZ3-CG 3.98Å; L72-E76 VanDerWaalsContact O-CB 3.25Å; L72-E76 WeakPolarHBondContact O-CB 3.25Å; L72-E76 PolarHBondContact O-N 3.33Å
77F91.8Very high92Very high1 Ų159.4 Ų59.40%0.00433%0.329CS..Hα-helixtrans-112.8-2.5-175.4-61.3-92.5000113.4L26 A29 V30 F34 G35 S39 K42 A43 L46 L73 T79L26-F77 HydrophobicContact CD1-CD1 4.41Å; L26-F77 HydrophobicContact CD1-CD2 4.28Å; L26-F77 HydrophobicContact CD1-CE1 3.99Å; L26-F77 HydrophobicContact CD1-CE2 3.84Å; L26-F77 HydrophobicContact CD1-CZ 3.68Å; A29-F77 HydrophobicContact CB-CB 4.38Å; A29-F77 HydrophobicContact CB-CD1 4.25Å; V30-F77 HydrophobicContact CG2-CD1 4.5Å; V30-F77 HydrophobicContact CG2-CE1 3.78Å; F34-F77 CarbonylContact C-O 3.48Å; F34-F77 VanDerWaalsContact CB-O 3.24Å; F34-F77 WeakPolarHBondContact CB-O 3.47Å; F34-F77 WeakPolarHBondContact O-CD1 3.39Å; G35-F77 PolarHBondContact N-O 3.44Å; S39-F77 WeakPolarHBondContact O-CE1 3.48Å; K42-F77 HydrophobicContact CB-CE1 4.18Å; K42-F77 HydrophobicContact CB-CE2 4.32Å; K42-F77 HydrophobicContact CB-CZ 3.73Å; A43-F77 HydrophobicContact CB-CE1 4.45Å; A43-F77 HydrophobicContact CB-CZ 4.1Å; L46-F77 HydrophobicContact CD2-CE2 4.34Å; L73-F77 HydrophobicContact CD2-CD2 3.91Å; L73-F77 HydrophobicContact CD2-CE2 4.45Å; L73-F77 HydrophobicContact CD2-CG 4.43Å; L73-F77 CarbonylContact O-C 3.37Å; L73-F77 VanDerWaalsContact O-CA 3.3Å; L73-F77 WeakPolarHBondContact O-CA 3.43Å; L73-F77 VanDerWaalsContact O-CB 3.29Å; L73-F77 WeakPolarHBondContact O-CB 3.41Å; L73-F77 PolarHBondContact O-N 2.85Å; F77-T79 PolarHBondContact O-N 3.35Å; F77-T79 PolarHBondContact O-OG1 2.78Å
78D91.3Very high91.9Very high148 Ų14860.2 Ų60.279%0.79133%0.329SS*.  trans52.934.8-174.3-159.4-119.4000111.5L73 T74L73-D78 PolarHBondContact O-N 3.31Å; T74-D78 WeakPolarHBondContact O-CA 3.13Å; T74-D78 PolarHBondContact O-N 2.88Å
79T89.8Confident91.8Very high19 Ų1958.4 Ų58.412%0.11732%0.321CS..  trans-124.3125.7-172.8-57.50000110.7A29 F34 L73 T74 F77 V81A29-T79 HydrophobicContact CB-CG2 4.48Å; F34-T79 WeakPolarHBondContact CD2-OG1 3.37Å; L73-T79 CarbonylContact C-O 3.29Å; L73-T79 VanDerWaalsContact C-O 3.29Å; L73-T79 PolarHBondContact O-N 2.87Å; L73-T79 VanDerWaalsContact O-N 3.17Å; T74-T79 PolarHBondContact N-O 3.31Å; F77-T79 PolarHBondContact O-N 3.35Å; F77-T79 PolarHBondContact O-OG1 2.78Å; T79-V81 HydrophobicContact CG2-CG2 4.22Å
80V91.4Very high91.8Very high103 Ų10358.3 Ų58.362%0.62432%0.321SS*.  trans-103129.7171.2-174.60000108.6E82V80-E82 HydrophobicContact CG1-CG 4.07Å
81V89.6Confident91.8Very high23 Ų2362.8 Ų62.814%0.13934%0.337CS..  trans-108.4108.7-176.7-1790000110.3W23 A25 L73 T79 S85 L86W23-V81 HydrophobicContact CZ2-CG1 4.22Å; W23-V81 HydrophobicContact CZ2-CG2 4.41Å; A25-V81 HydrophobicContact CB-CG1 3.98Å; A25-V81 HydrophobicContact CB-CG2 3.75Å; L73-V81 HydrophobicContact CD1-CG2 3.56Å; T79-V81 HydrophobicContact CG2-CG2 4.22Å; V81-S85 WeakPolarHBondContact CG1-OG 3.5Å; V81-L86 HydrophobicContact CB-CB 4.37Å; V81-L86 HydrophobicContact CG1-CB 4.14Å
82E89.1Confident91.7Very high184 Ų18459.3 Ų59.386%0.8632%0.321SS*.  trans-115.57.6-178.9-61.2-17396.800113.6V80 G84V80-E82 HydrophobicContact CG1-CG 4.07Å; E82-G84 PolarHBondContact O-N 2.85Å
83D87.9Confident91.7Very high125 Ų12558.4 Ų58.467%0.66832%0.316SS*.SBendtrans-79.51.2-179.1109.7-64.7000113.9S85D83-S85 VanDerWaalsContact C-N 3.28Å; D83-S85 PolarHBondContact O-N 3.01Å; D83-S85 WeakPolarHBondContact OD1-CB 3.39Å; D83-S85 PolarHBondContact OD1-N 3.17Å; D83-S85 PolarHBondContact OD1-OG 3.02Å
84G89.6Confident91.7Very high43 Ų4360 Ų6044%0.44332%0.324SS..SBendtrans801.9-176.500000114.3E82 P87E82-G84 PolarHBondContact O-N 2.85Å; G84-P87 WeakPolarHBondContact O-CD 3.22Å; G84-P87 VanDerWaalsContact O-CG 3.31Å; G84-P87 WeakPolarHBondContact O-CG 3.49Å
85S92.3Very high91.6Very high12 Ų1259.6 Ų59.68%0.08432%0.321CS..Hα-helixtrans-73-27.2172.561.60000113.7W23 V81 D83 Q88 V89W23-S85 PolarHBondContact NE1-OG 3.2Å; V81-S85 WeakPolarHBondContact CG1-OG 3.5Å; D83-S85 VanDerWaalsContact C-N 3.28Å; D83-S85 PolarHBondContact O-N 3.01Å; D83-S85 WeakPolarHBondContact OD1-CB 3.39Å; D83-S85 PolarHBondContact OD1-N 3.17Å; D83-S85 PolarHBondContact OD1-OG 3.02Å; S85-Q88 WeakPolarHBondContact O-CB 3.26Å; S85-Q88 PolarHBondContact O-N 3.41Å; S85-V89 WeakPolarHBondContact O-CG2 3.22Å; S85-V89 PolarHBondContact O-N 2.92Å
86L92.4Very high91.6Very high19 Ų1954.7 Ų54.710%0.09930%0.295CS..Hα-helixtrans-55.4-56.4177.1-179.571.8000112.9W23 E66 L69 V81 Q88 V89 S90W23-L86 HydrophobicContact CH2-CD1 3.39Å; W23-L86 HydrophobicContact CZ2-CB 4.04Å; W23-L86 HydrophobicContact CZ2-CD1 3.73Å; E66-L86 HydrophobicContact CG-CD2 3.75Å; E66-L86 HydrophobicContact CG-CG 3.8Å; L69-L86 HydrophobicContact CB-CD1 4.02Å; L69-L86 HydrophobicContact CD2-CD1 4.07Å; L69-L86 HydrophobicContact CG-CD1 4.11Å; V81-L86 HydrophobicContact CB-CB 4.37Å; V81-L86 HydrophobicContact CG1-CB 4.14Å; L86-Q88 VanDerWaalsContact C-N 3.27Å; L86-Q88 PolarHBondContact O-N 3.05Å; L86-V89 PolarHBondContact O-N 3.34Å; L86-S90 WeakPolarHBondContact O-CB 3.39Å; L86-S90 PolarHBondContact O-N 3.23Å; L86-S90 PolarHBondContact O-OG 2.96Å
87P92.4Very high91.5Very high43 Ų4352.4 Ų52.428%0.27928%0.284SS..Hα-helixtrans-63-33.7176.221.1-32.6000112.4E66 G84 S90 Q91E66-P87 WeakPolarHBondContact OE2-CB 3.25Å; G84-P87 WeakPolarHBondContact O-CD 3.22Å; G84-P87 VanDerWaalsContact O-CG 3.31Å; G84-P87 WeakPolarHBondContact O-CG 3.49Å; P87-S90 PolarHBondContact O-N 3.14Å; P87-Q91 WeakPolarHBondContact O-CB 3.3Å; P87-Q91 PolarHBondContact O-N 3.19Å
88Q92.1Very high91.4Very high131 Ų13157 Ų5761%0.61231%0.305SS*.Hα-helixtrans-64.9-44.6179.4-168.5-174.1-98.400112S85 L86 Q92S85-Q88 WeakPolarHBondContact O-CB 3.26Å; S85-Q88 PolarHBondContact O-N 3.41Å; L86-Q88 VanDerWaalsContact C-N 3.27Å; L86-Q88 PolarHBondContact O-N 3.05Å; Q88-Q92 WeakPolarHBondContact O-CB 3.28Å; Q88-Q92 PolarHBondContact O-N 3.37Å; Q88-Q92 VanDerWaalsContact O-N 3.14Å
89V93.3Very high91.3Very high6 Ų651.8 Ų51.84%0.03628%0.276CS..Hα-helixtrans-68.2-40.3176.8173.50000110.5W23 L69 S85 L86 Q91 Q92 L93W23-V89 HydrophobicContact CB-CG2 4.22Å; W23-V89 HydrophobicContact CD2-CB 4.34Å; W23-V89 HydrophobicContact CD2-CG1 4.35Å; W23-V89 HydrophobicContact CD2-CG2 3.81Å; W23-V89 HydrophobicContact CE3-CG1 4.11Å; W23-V89 HydrophobicContact CE3-CG2 4.4Å; W23-V89 HydrophobicContact CG-CG2 3.73Å; W23-V89 HydrophobicContact CZ3-CG1 4.42Å; L69-V89 HydrophobicContact CD2-CG1 4.02Å; S85-V89 WeakPolarHBondContact O-CG2 3.22Å; S85-V89 PolarHBondContact O-N 2.92Å; L86-V89 PolarHBondContact O-N 3.34Å; V89-Q91 PolarHBondContact O-N 3.4Å; V89-Q92 WeakPolarHBondContact O-CB 3.47Å; V89-Q92 PolarHBondContact O-N 2.95Å; V89-Q92 VanDerWaalsContact O-N 3.13Å; V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.24Å; V89-L93 PolarHBondContact O-N 3.45Å
90S93.8Very high91.3Very high0 Ų052.9 Ų52.90%028%0.279CS..Hα-helixtrans-58.7-46.2176.5-57.80000111.9E66 L86 P87 Q92 L93 Q94E66-S90 WeakPolarHBondContact CA-OG 3.45Å; L86-S90 WeakPolarHBondContact O-CB 3.39Å; L86-S90 PolarHBondContact O-N 3.23Å; L86-S90 PolarHBondContact O-OG 2.96Å; P87-S90 PolarHBondContact O-N 3.14Å; S90-Q92 VanDerWaalsContact C-N 3.29Å; S90-Q92 PolarHBondContact O-N 2.92Å; S90-L93 PolarHBondContact O-N 2.99Å; S90-Q94 WeakPolarHBondContact O-CB 3.29Å; S90-Q94 PolarHBondContact O-N 3.19Å
91Q93.1Very high91.1Very high110 Ų11052.7 Ų52.751%0.51427%0.272SS..Hα-helixtrans-61.4-39.8175.4-176.3-177.496.500111.8L62 P87 V89 Q94 T95L62-Q91 VanDerWaalsContact CD1-CA 3.42Å; L62-Q91 HydrophobicContact CD1-CB 3.76Å; L62-Q91 VanDerWaalsContact CD1-N 3.26Å; P87-Q91 WeakPolarHBondContact O-CB 3.3Å; P87-Q91 PolarHBondContact O-N 3.19Å; V89-Q91 PolarHBondContact O-N 3.4Å; Q91-Q94 PolarHBondContact O-N 3.32Å; Q91-T95 WeakPolarHBondContact O-CB 3.49Å; Q91-T95 PolarHBondContact O-N 3.23Å; Q91-T95 PolarHBondContact O-OG1 3.14Å
92Q92.6Very high91Very high38 Ų3860 Ų6018%0.17830%0.297CS..Hα-helixtrans-64.5-44179.1-175.3157.833.500111.9Q88 V89 S90 T95 M96 I115Q88-Q92 WeakPolarHBondContact O-CB 3.28Å; Q88-Q92 PolarHBondContact O-N 3.37Å; Q88-Q92 VanDerWaalsContact O-N 3.14Å; V89-Q92 WeakPolarHBondContact O-CB 3.47Å; V89-Q92 PolarHBondContact O-N 2.95Å; V89-Q92 VanDerWaalsContact O-N 3.13Å; S90-Q92 VanDerWaalsContact C-N 3.29Å; S90-Q92 PolarHBondContact O-N 2.92Å; Q92-T95 PolarHBondContact O-N 3.34Å; Q92-M96 HydrophobicContact CG-CE 4.26Å; Q92-M96 WeakPolarHBondContact O-CG 3.29Å; Q92-M96 PolarHBondContact O-N 3.08Å; Q92-I115 VanDerWaalsContact CD-CD1 3.48Å; Q92-I115 HydrophobicContact CG-CD1 4.02Å
93L92.6Very high90.8Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-63.3-44175.2-67.7169.7000111.6V16 A19 V50 F54 L69 V89 S90 T95 M96 F97V16-L93 HydrophobicContact CB-CD2 4.13Å; V16-L93 HydrophobicContact CG1-CD2 4.01Å; V16-L93 HydrophobicContact CG2-CD2 3.91Å; A19-L93 HydrophobicContact CB-CD2 3.94Å; V50-L93 HydrophobicContact CG1-CD1 4.07Å; F54-L93 HydrophobicContact CE2-CB 3.91Å; F54-L93 HydrophobicContact CE2-CD1 4.4Å; F54-L93 HydrophobicContact CZ-CB 3.76Å; L69-L93 HydrophobicContact CD2-CD1 4.32Å; V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.24Å; V89-L93 PolarHBondContact O-N 3.45Å; S90-L93 PolarHBondContact O-N 2.99Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 2.84Å; L93-M96 WeakPolarHBondContact O-CB 3.39Å; L93-M96 PolarHBondContact O-N 3.09Å; L93-F97 PolarHBondContact O-N 3.3Å
94Q92.1Very high90.8Very high37 Ų3751 Ų5117%0.17327%0.268CS..Hα-helixtrans-63-40.1177.2-168.8-169.559.600112L60 L62 S90 Q91 F97 H98L60-Q94 PolarHBondContact O-NE2 2.94Å; L62-Q94 VanDerWaalsContact N-NE2 3.19Å; S90-Q94 WeakPolarHBondContact O-CB 3.29Å; S90-Q94 PolarHBondContact O-N 3.19Å; Q91-Q94 PolarHBondContact O-N 3.32Å; Q94-F97 PolarHBondContact O-N 3.38Å; Q94-H98 PolarHBondContact O-N 3.29Å; Q94-H98 PolarHBondContact O-ND1 3.22Å
95T91.6Very high90.6Very high48 Ų4849.8 Ų49.829%0.29426%0.256SS..Hα-helixtrans-65.1-42.1177.1-52.70000110.9Q91 Q92 L93 F97 H98 H99 M111Q91-T95 WeakPolarHBondContact O-CB 3.49Å; Q91-T95 PolarHBondContact O-N 3.23Å; Q91-T95 PolarHBondContact O-OG1 3.14Å; Q92-T95 PolarHBondContact O-N 3.34Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 2.84Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 3.27Å; T95-H98 PolarHBondContact O-N 2.84Å; T95-H99 PolarHBondContact O-CD2 2.99Å; T95-H99 PolarHBondContact O-N 3.38Å; T95-H99 VanDerWaalsContact O-N 3.12Å; T95-M111 HydrophobicContact CG2-CE 3.5Å; T95-M111 VanDerWaalsContact CG2-CE 3.5Å; T95-M111 HydrophobicContact CG2-SD 4.29Å
96M91.1Very high90.4Very high0 Ų052.6 Ų52.60%028%0.28CS..Hα-helixtrans-58.9-42.9172.7-73.9-172.2-172.600112F12 G15 A19 Q92 L93 H99 F100 L108 M111 I115F12-M96 HydrophobicContact CD2-CB 4.14Å; F12-M96 HydrophobicContact CE2-CB 3.94Å; G15-M96 VanDerWaalsContact C-SD 3.59Å; A19-M96 HydrophobicContact CB-CE 4.48Å; Q92-M96 HydrophobicContact CG-CE 4.26Å; Q92-M96 WeakPolarHBondContact O-CG 3.29Å; Q92-M96 PolarHBondContact O-N 3.08Å; L93-M96 WeakPolarHBondContact O-CB 3.39Å; L93-M96 PolarHBondContact O-N 3.09Å; M96-H99 PolarHBondContact O-N 3.27Å; M96-F100 PolarHBondContact O-N 3.23Å; M96-L108 HydrophobicContact CB-CD1 3.52Å; M96-L108 HydrophobicContact CG-CD1 3.75Å; M96-L108 HydrophobicContact SD-CD1 4.2Å; M96-M111 HydrophobicContact CE-CB 4.42Å; M96-M111 HydrophobicContact CE-CG 3.96Å; M96-M111 HydrophobicContact CE-SD 4.2Å; M96-M111 HydrophobicContact CG-CG 4.31Å; M96-M111 HydrophobicContact CG-SD 3.5Å; M96-M111 VanDerWaalsContact CG-SD 3.5Å; M96-I115 HydrophobicContact CE-CD1 3.05Å; M96-I115 HydrophobicContact CE-CG1 4.48Å
97F91.1Very high90.2Very high10 Ų1052.9 Ų52.94%0.04429%0.285CS..Hα-helixtrans-64.1-41.2179.5-173.8-113.8000111.7F12 F54 M55 L93 Q94 T95 H99 F100 Q101F12-F97 HydrophobicContact CE1-CD2 4.37Å; F12-F97 HydrophobicContact CE2-CB 3.81Å; F12-F97 HydrophobicContact CE2-CD2 4.09Å; F12-F97 HydrophobicContact CE2-CG 4.48Å; F12-F97 HydrophobicContact CZ-CB 4.11Å; F12-F97 AromaticContact CZ-CD2 3.88Å; F12-F97 HydrophobicContact CZ-CD2 3.88Å; F12-F97 HydrophobicContact CZ-CG 4.45Å; F54-F97 HydrophobicContact CB-CD2 3.85Å; F54-F97 HydrophobicContact CB-CE2 3.93Å; F54-F97 HydrophobicContact CB-CG 4.47Å; F54-F97 HydrophobicContact CD1-CB 3.84Å; F54-F97 AromaticContact CD1-CD1 3.97Å; F54-F97 HydrophobicContact CD1-CD1 3.97Å; F54-F97 AromaticContact CD1-CD2 3.88Å; F54-F97 HydrophobicContact CD1-CD2 3.88Å; F54-F97 HydrophobicContact CD1-CE1 4.49Å; F54-F97 HydrophobicContact CD1-CE2 4.42Å; F54-F97 AromaticContact CD1-CG 3.63Å; F54-F97 HydrophobicContact CD1-CG 3.63Å; F54-F97 HydrophobicContact CE1-CB 4.11Å; F54-F97 HydrophobicContact CE1-CG 4.31Å; F54-F97 HydrophobicContact CG-CD2 4.21Å; F54-F97 HydrophobicContact CG-CG 4.38Å; F54-F97 VanDerWaalsContact O-CE2 3.24Å; F54-F97 WeakPolarHBondContact O-CE2 3.49Å; F54-F97 WeakPolarHBondContact O-CZ 3.37Å; M55-F97 HydrophobicContact CE-CE2 4.44Å; L93-F97 PolarHBondContact O-N 3.3Å; Q94-F97 PolarHBondContact O-N 3.38Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 3.27Å; F97-H99 VanDerWaalsContact C-N 3.34Å; F97-H99 PolarHBondContact O-N 3.46Å; F97-F100 HydrophobicContact CD2-CD1 4.09Å; F97-F100 HydrophobicContact CE2-CD1 4.03Å; F97-F100 HydrophobicContact CE2-CE1 4.4Å; F97-F100 WeakPolarHBondContact O-CB 3.4Å; F97-F100 PolarHBondContact O-N 3.44Å; F97-F100 VanDerWaalsContact O-N 3.13Å; F97-Q101 HydrophobicContact CD1-CG 4.22Å; F97-Q101 HydrophobicContact CE1-CG 3.91Å; F97-Q101 HydrophobicContact CE2-CG 4.38Å; F97-Q101 HydrophobicContact CZ-CG 3.99Å; F97-Q101 WeakPolarHBondContact O-CG 3.47Å; F97-Q101 PolarHBondContact O-N 3.09Å
98H90.3Very high90.1Very high98 Ų9850.9 Ų50.945%0.45427%0.272SS..Hα-helixtrans-58.6-42.5172.4-85.7112.7000113.1Q94 T95 F100 Q101 R102Q94-H98 PolarHBondContact O-N 3.29Å; Q94-H98 PolarHBondContact O-ND1 3.22Å; T95-H98 PolarHBondContact O-N 2.84Å; H98-F100 VanDerWaalsContact C-N 3.33Å; H98-Q101 PolarHBondContact O-N 2.89Å; H98-R102 WeakPolarHBondContact O-CB 3.45Å; H98-R102 WeakPolarHBondContact O-CG 3.2Å; H98-R102 PolarHBondContact O-N 3.45Å
99H89.9Confident89.9Confident38 Ų3850.9 Ų50.918%0.17627%0.267CS..Hα-helixtrans-65.3-37.9174.8-75-64.3000112.3T95 M96 F97 R102 G103 D104 L108T95-H99 PolarHBondContact O-CD2 2.99Å; T95-H99 PolarHBondContact O-N 3.38Å; T95-H99 VanDerWaalsContact O-N 3.12Å; M96-H99 PolarHBondContact O-N 3.27Å; F97-H99 VanDerWaalsContact C-N 3.34Å; F97-H99 PolarHBondContact O-N 3.46Å; H99-R102 PolarHBondContact O-N 2.69Å; H99-G103 PolarHBondContact O-N 3.28Å; H99-D104 HydrophobicContact CB-CB 4.39Å; H99-D104 PolarHBondContact O-N 3.49Å; H99-L108 HydrophobicContact CB-CB 4.36Å
100F88.4Confident89.8Confident43 Ų4355.3 Ų55.319%0.18929%0.287CS..Hα-helixtrans-61.6-48173.6170-99.8000111.6A8 R9 F12 M55 M96 F97 H98 R102 G103 L108A8-F100 VanDerWaalsContact C-CE2 3.47Å; A8-F100 HydrophobicContact CB-CD2 3.81Å; A8-F100 HydrophobicContact CB-CE2 3.64Å; A8-F100 WeakPolarHBondContact O-CD2 2.98Å; R9-F100 HydrophobicContact CB-CE2 4.21Å; F12-F100 HydrophobicContact CB-CB 4.41Å; F12-F100 HydrophobicContact CB-CD2 3.96Å; F12-F100 HydrophobicContact CB-CG 4.24Å; F12-F100 HydrophobicContact CD2-CB 4.14Å; F12-F100 HydrophobicContact CG-CB 4.44Å; F12-F100 HydrophobicContact CG-CG 4.41Å; M55-F100 HydrophobicContact CE-CD1 4.07Å; M55-F100 HydrophobicContact CE-CE1 3.59Å; M55-F100 HydrophobicContact CE-CE2 4.42Å; M55-F100 HydrophobicContact CE-CZ 3.79Å; M55-F100 HydrophobicContact SD-CE1 3.97Å; M55-F100 HydrophobicContact SD-CZ 4.02Å; M96-F100 PolarHBondContact O-N 3.23Å; F97-F100 HydrophobicContact CD2-CD1 4.09Å; F97-F100 HydrophobicContact CE2-CD1 4.03Å; F97-F100 HydrophobicContact CE2-CE1 4.4Å; F97-F100 WeakPolarHBondContact O-CB 3.4Å; F97-F100 PolarHBondContact O-N 3.44Å; F97-F100 VanDerWaalsContact O-N 3.13Å; H98-F100 VanDerWaalsContact C-N 3.33Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 3Å; F100-G103 PolarHBondContact O-N 3.18Å; F100-L108 HydrophobicContact CB-CD2 4.29Å
101Q87.3Confident89.6Confident99 Ų9957.2 Ų57.246%0.46330%0.296SS..Hα-helixtrans-61.6-36178.1-69.5-158.878.600112.8A58 F97 H98 G103A58-Q101 PolarHBondContact O-NE2 3.42Å; A58-Q101 VanDerWaalsContact O-NE2 3.15Å; F97-Q101 HydrophobicContact CD1-CG 4.22Å; F97-Q101 HydrophobicContact CE1-CG 3.91Å; F97-Q101 HydrophobicContact CE2-CG 4.38Å; F97-Q101 HydrophobicContact CZ-CG 3.99Å; F97-Q101 WeakPolarHBondContact O-CG 3.47Å; F97-Q101 PolarHBondContact O-N 3.09Å; H98-Q101 PolarHBondContact O-N 2.89Å; Q101-G103 VanDerWaalsContact C-N 3.27Å; Q101-G103 PolarHBondContact O-N 2.82Å
102R87.8Confident89.3Confident175 Ų17552.7 Ų52.766%0.6628%0.278SS*.Hα-helixtrans-76.2-11176.4-72.2176.154.3-165.4-12.2114H98 H99 F100 D104H98-R102 WeakPolarHBondContact O-CB 3.45Å; H98-R102 WeakPolarHBondContact O-CG 3.2Å; H98-R102 PolarHBondContact O-N 3.45Å; H99-R102 PolarHBondContact O-N 2.69Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 3Å; R102-D104 VanDerWaalsContact C-N 3.27Å; R102-D104 IonicContact CZ-OD2 3.26Å; R102-D104 VanDerWaalsContact CZ-OD2 3.22Å; R102-D104 IonicContact NE-OD2 2.79Å; R102-D104 PolarHBondContact NE-OD2 2.5Å; R102-D104 IonicContact NH2-OD2 3.83Å; R102-D104 PolarHBondContact NH2-OD2 3.03Å
103G85.7Confident89.2Confident59 Ų5953.5 Ų53.561%0.60829%0.288SS*.THydrogen-bonded Turntrans74.814.8-173.500000114H99 F100 Q101 G105H99-G103 PolarHBondContact O-N 3.28Å; F100-G103 PolarHBondContact O-N 3.18Å; Q101-G103 VanDerWaalsContact C-N 3.27Å; Q101-G103 PolarHBondContact O-N 2.82Å; G103-G105 PolarHBondContact O-N 3.07Å
104D87.1Confident89.1Confident61 Ų6159.4 Ų59.433%0.32631%0.31SS..  trans-82.261.3179.5-82.9-57000111.1H99 R102 A106 A107 L108H99-D104 HydrophobicContact CB-CB 4.39Å; H99-D104 PolarHBondContact O-N 3.49Å; R102-D104 VanDerWaalsContact C-N 3.27Å; R102-D104 IonicContact CZ-OD2 3.26Å; R102-D104 VanDerWaalsContact CZ-OD2 3.22Å; R102-D104 IonicContact NE-OD2 2.79Å; R102-D104 PolarHBondContact NE-OD2 2.5Å; R102-D104 IonicContact NH2-OD2 3.83Å; R102-D104 PolarHBondContact NH2-OD2 3.03Å; D104-A106 PolarHBondContact O-N 2.97Å; D104-A106 VanDerWaalsContact O-N 3.14Å; D104-A107 HydrophobicContact CB-CB 4.36Å; D104-A107 PolarHBondContact O-N 3.46Å; D104-A107 VanDerWaalsContact O-N 3.17Å; D104-L108 PolarHBondContact O-N 3.17Å
105G86.1Confident88.9Confident18 Ų1857.9 Ų57.919%0.18630%0.303CS..Hα-helixtrans-61-23.6-177.400000114.6G103 R109G103-G105 PolarHBondContact O-N 3.07Å; G105-R109 WeakPolarHBondContact O-CB 3.48Å; G105-R109 PolarHBondContact O-N 2.98Å
106A87.8Confident88.5Confident72 Ų7258.6 Ų58.660%0.59531%0.307SS*.Hα-helixtrans-67.3-46.7174.800000112.1D104 L108 R109 E110D104-A106 PolarHBondContact O-N 2.97Å; D104-A106 VanDerWaalsContact O-N 3.14Å; A106-L108 VanDerWaalsContact C-N 3.34Å; A106-R109 PolarHBondContact O-N 3.17Å; A106-E110 WeakPolarHBondContact O-CB 3.35Å; A106-E110 PolarHBondContact O-N 3.06Å
107A88.9Confident88.1Confident25 Ų2565 Ų6521%0.20734%0.338CS..Hα-helixtrans-65.7-40.1177.500000111.2D104 E110 M111D104-A107 HydrophobicContact CB-CB 4.36Å; D104-A107 PolarHBondContact O-N 3.46Å; D104-A107 VanDerWaalsContact O-N 3.17Å; A107-E110 PolarHBondContact O-N 3.35Å; A107-M111 WeakPolarHBondContact O-CB 3.29Å; A107-M111 PolarHBondContact O-N 3.31Å
108L89.7Confident87.5Confident1 Ų171.4 Ų71.41%0.00536%0.361CS..Hα-helixtrans-59-48.7174.5-177.561.8000112L11 F12 M96 H99 F100 D104 A106 E110 M111 A112L11-L108 HydrophobicContact CB-CD2 3.86Å; L11-L108 HydrophobicContact CB-CG 4.45Å; F12-L108 HydrophobicContact CB-CD2 4Å; F12-L108 HydrophobicContact CD2-CD1 4.24Å; M96-L108 HydrophobicContact CB-CD1 3.52Å; M96-L108 HydrophobicContact CG-CD1 3.75Å; M96-L108 HydrophobicContact SD-CD1 4.2Å; H99-L108 HydrophobicContact CB-CB 4.36Å; F100-L108 HydrophobicContact CB-CD2 4.29Å; D104-L108 PolarHBondContact O-N 3.17Å; A106-L108 VanDerWaalsContact C-N 3.34Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 3.23Å; L108-M111 PolarHBondContact O-N 3.29Å; L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 3.46Å
109R88.6Confident86.6Confident130 Ų13069.5 Ų69.549%0.49135%0.352SS..Hα-helixtrans-62.3-41.7176.7-173.6-174.9-64127.9-0.5111.8L11 G105 A106 S113L11-R109 HydrophobicContact CD2-CB 4.46Å; G105-R109 WeakPolarHBondContact O-CB 3.48Å; G105-R109 PolarHBondContact O-N 2.98Å; A106-R109 PolarHBondContact O-N 3.17Å; R109-S113 VanDerWaalsContact O-CB 3.31Å; R109-S113 WeakPolarHBondContact O-CB 3.27Å; R109-S113 PolarHBondContact O-N 3.13Å; R109-S113 PolarHBondContact O-OG 3.34Å
110E90.8Very high85.3Confident99 Ų9971.1 Ų71.146%0.46337%0.366SS..Hα-helixtrans-62-46.2176.8-176.3-176.3-157.800111A106 A107 L108 S113 R114A106-E110 WeakPolarHBondContact O-CB 3.35Å; A106-E110 PolarHBondContact O-N 3.06Å; A107-E110 PolarHBondContact O-N 3.35Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 3.23Å; E110-S113 PolarHBondContact O-N 3Å; E110-R114 HydrophobicContact CG-CG 4.45Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.25Å; E110-R114 PolarHBondContact O-N 3.13Å; E110-R114 IonicContact OE1-CZ 3.49Å; E110-R114 IonicContact OE1-NE 2.79Å; E110-R114 PolarHBondContact OE1-NE 3.05Å; E110-R114 IonicContact OE1-NH2 2.69Å; E110-R114 PolarHBondContact OE1-NH2 2.96Å
111M89.1Confident83.8Confident41 Ų4176.5 Ų76.520%0.20239%0.39CS..Hα-helixtrans-62.1-46.2178.9-165176.6-7400111.5T95 M96 A107 L108 S113 R114 I115T95-M111 HydrophobicContact CG2-CE 3.5Å; T95-M111 VanDerWaalsContact CG2-CE 3.5Å; T95-M111 HydrophobicContact CG2-SD 4.29Å; M96-M111 HydrophobicContact CE-CB 4.42Å; M96-M111 HydrophobicContact CE-CG 3.96Å; M96-M111 HydrophobicContact CE-SD 4.2Å; M96-M111 HydrophobicContact CG-CG 4.31Å; M96-M111 HydrophobicContact CG-SD 3.5Å; M96-M111 VanDerWaalsContact CG-SD 3.5Å; A107-M111 WeakPolarHBondContact O-CB 3.29Å; A107-M111 PolarHBondContact O-N 3.31Å; L108-M111 PolarHBondContact O-N 3.29Å; M111-S113 VanDerWaalsContact C-N 3.33Å; M111-S113 PolarHBondContact O-N 2.93Å; M111-R114 PolarHBondContact O-N 3.34Å; M111-I115 WeakPolarHBondContact O-CD1 3.44Å; M111-I115 VanDerWaalsContact O-CG1 3.28Å; M111-I115 WeakPolarHBondContact O-CG1 3.39Å; M111-I115 PolarHBondContact O-N 3.46Å; M111-I115 VanDerWaalsContact O-N 3.09Å
112A88.1Confident82.3Confident14 Ų1477 Ų7712%0.11640%0.399CS..Hα-helixtrans-58.8-44.5173.600000111.6L108 R114 I115 T116L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 3.46Å; A112-R114 PolarHBondContact O-N 2.85Å; A112-I115 WeakPolarHBondContact O-CB 3.36Å; A112-I115 PolarHBondContact O-N 3.31Å; A112-T116 PolarHBondContact O-N 3.18Å; A112-T116 VanDerWaalsContact O-N 3.08Å; A112-T116 PolarHBondContact O-OG1 3.37Å
113S89.1Confident80.6Confident56 Ų5672.5 Ų72.539%0.39239%0.391SS..Hα-helixtrans-63-41.8178.1-580000112R109 E110 M111 I115 T116 Q117R109-S113 VanDerWaalsContact O-CB 3.31Å; R109-S113 WeakPolarHBondContact O-CB 3.27Å; R109-S113 PolarHBondContact O-N 3.13Å; R109-S113 PolarHBondContact O-OG 3.34Å; E110-S113 PolarHBondContact O-N 3Å; M111-S113 VanDerWaalsContact C-N 3.33Å; M111-S113 PolarHBondContact O-N 2.93Å; S113-I115 VanDerWaalsContact C-N 3.31Å; S113-I115 PolarHBondContact O-N 3.49Å; S113-T116 PolarHBondContact O-N 3.21Å; S113-Q117 WeakPolarHBondContact O-CB 3.44Å; S113-Q117 VanDerWaalsContact O-CG 3.3Å; S113-Q117 WeakPolarHBondContact O-CG 3.32Å; S113-Q117 PolarHBondContact O-N 3.36Å
114R90Very high78.9Confident123 Ų12372.1 Ų72.146%0.46438%0.382SS..Hα-helixtrans-61.9-39.2177.2-75.4172-177.2-98.53.9111.5E110 M111 A112 R118E110-R114 HydrophobicContact CG-CG 4.45Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.25Å; E110-R114 PolarHBondContact O-N 3.13Å; E110-R114 IonicContact OE1-CZ 3.49Å; E110-R114 IonicContact OE1-NE 2.79Å; E110-R114 PolarHBondContact OE1-NE 3.05Å; E110-R114 IonicContact OE1-NH2 2.69Å; E110-R114 PolarHBondContact OE1-NH2 2.96Å; M111-R114 PolarHBondContact O-N 3.34Å; A112-R114 PolarHBondContact O-N 2.85Å; R114-R118 VanDerWaalsContact O-CG 3.32Å; R114-R118 WeakPolarHBondContact O-CG 3.37Å; R114-R118 PolarHBondContact O-N 3.36Å
115I87.7Confident76.9Confident5 Ų574 Ų743%0.02640%0.396CS..Hα-helixtrans-64.4-51.6176.7-67.9164.4000110.8A18 A19 A22 Q92 M96 M111 A112 S113 Q117 R118 K119A18-I115 HydrophobicContact CB-CG2 4.37Å; A18-I115 VanDerWaalsContact O-CG2 3.25Å; A18-I115 WeakPolarHBondContact O-CG2 3.23Å; A19-I115 HydrophobicContact CB-CD1 4.13Å; A22-I115 HydrophobicContact CB-CG2 3.36Å; Q92-I115 VanDerWaalsContact CD-CD1 3.48Å; Q92-I115 HydrophobicContact CG-CD1 4.02Å; M96-I115 HydrophobicContact CE-CD1 3.05Å; M96-I115 HydrophobicContact CE-CG1 4.48Å; M111-I115 WeakPolarHBondContact O-CD1 3.44Å; M111-I115 VanDerWaalsContact O-CG1 3.28Å; M111-I115 WeakPolarHBondContact O-CG1 3.39Å; M111-I115 PolarHBondContact O-N 3.46Å; M111-I115 VanDerWaalsContact O-N 3.09Å; A112-I115 WeakPolarHBondContact O-CB 3.36Å; A112-I115 PolarHBondContact O-N 3.31Å; S113-I115 VanDerWaalsContact C-N 3.31Å; S113-I115 PolarHBondContact O-N 3.49Å; I115-Q117 VanDerWaalsContact C-N 3.28Å; I115-Q117 PolarHBondContact O-N 2.86Å; I115-R118 PolarHBondContact O-N 3.47Å; I115-R118 VanDerWaalsContact O-N 3.13Å; I115-K119 PolarHBondContact O-N 2.87Å
116T84.3Confident75Confident64 Ų6477 Ų7739%0.39342%0.419SS..Hα-helixtrans-60.7-39.7179.5-54.30000111.3A112 S113 K119 C120A112-T116 PolarHBondContact O-N 3.18Å; A112-T116 VanDerWaalsContact O-N 3.08Å; A112-T116 PolarHBondContact O-OG1 3.37Å; S113-T116 PolarHBondContact O-N 3.21Å; T116-K119 WeakPolarHBondContact O-CB 3.28Å; T116-K119 PolarHBondContact O-N 2.84Å; T116-C120 PolarHBondContact O-N 2.91Å; T116-C120 PolarHBondContact O-SG 2.8Å; T116-C120 VanDerWaalsContact O-SG 3.36Å
117Q83.1Confident72.8Confident135 Ų13580.4 Ų80.463%0.63143%0.427SS*.Hα-helixtrans-63-41.5175.3-78.7179.1-11.700112.9S113 I115 K119 C120 K121S113-Q117 WeakPolarHBondContact O-CB 3.44Å; S113-Q117 VanDerWaalsContact O-CG 3.3Å; S113-Q117 WeakPolarHBondContact O-CG 3.32Å; S113-Q117 PolarHBondContact O-N 3.36Å; I115-Q117 VanDerWaalsContact C-N 3.28Å; I115-Q117 PolarHBondContact O-N 2.86Å; Q117-K119 VanDerWaalsContact C-N 3.35Å; Q117-C120 PolarHBondContact O-N 3.35Å; Q117-K121 PolarHBondContact O-N 3.04Å
118R78.5Confident70.6Confident144 Ų14488 Ų8854%0.54346%0.455SS..Hα-helixtrans-62.5-43.7175.3-72.2176.6-162.1143.1-1110.9R114 I115 K121 V122R114-R118 VanDerWaalsContact O-CG 3.32Å; R114-R118 WeakPolarHBondContact O-CG 3.37Å; R114-R118 PolarHBondContact O-N 3.36Å; I115-R118 PolarHBondContact O-N 3.47Å; I115-R118 VanDerWaalsContact O-N 3.13Å; R118-K121 PolarHBondContact O-N 3.22Å; R118-V122 WeakPolarHBondContact O-CG2 3.39Å; R118-V122 PolarHBondContact O-N 3.34Å
119K71.3Confident68.5Low58 Ų5894.4 Ų94.425%0.25250%0.495SS..Hα-helixtrans-56.9-51.7174-177.8-179.6171.4162.80111.5E21 A22 I115 T116 Q117 K121 V122 T123E21-K119 WeakPolarHBondContact O-CD 3.37Å; E21-K119 WeakPolarHBondContact O-CE 3.48Å; E21-K119 PolarHBondContact O-NZ 2.79Å; E21-K119 IonicContact OE1-NZ 3.27Å; A22-K119 HydrophobicContact CB-CB 4.09Å; A22-K119 HydrophobicContact CB-CD 4.37Å; I115-K119 PolarHBondContact O-N 2.87Å; T116-K119 WeakPolarHBondContact O-CB 3.28Å; T116-K119 PolarHBondContact O-N 2.84Å; Q117-K119 VanDerWaalsContact C-N 3.35Å; K119-K121 VanDerWaalsContact C-N 3.31Å; K119-K121 PolarHBondContact O-N 3.2Å; K119-V122 PolarHBondContact O-N 3.35Å; K119-T123 PolarHBondContact O-N 3.02Å; K119-T123 PolarHBondContact O-OG1 3.29Å
120C61.4Low66.6Low72 Ų7292.5 Ų92.549%0.48651%0.506SS..Hα-helixtrans-62.5-34-179.1-700000113.5T116 Q117 T123 A124T116-C120 PolarHBondContact O-N 2.91Å; T116-C120 PolarHBondContact O-SG 2.8Å; T116-C120 VanDerWaalsContact O-SG 3.36Å; Q117-C120 PolarHBondContact O-N 3.35Å; C120-T123 WeakPolarHBondContact CA-OG1 3.17Å; C120-T123 PolarHBondContact O-OG1 3.4Å; C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 2.94Å
121K58.4Low64Low156 Ų15697.3 Ų97.368%0.67853%0.526SS*.Hα-helixtrans-69.9-37.8177.8-159.9167.171.3178.50111.6Q117 R118 K119 T125Q117-K121 PolarHBondContact O-N 3.04Å; R118-K121 PolarHBondContact O-N 3.22Å; K119-K121 VanDerWaalsContact C-N 3.31Å; K119-K121 PolarHBondContact O-N 3.2Å; K121-T125 PolarHBondContact O-N 2.7Å; K121-T125 PolarHBondContact O-OG1 3.28Å
122V55Low62.1Low109 Ų109103.9 Ų103.966%0.66156%0.556SS**Hα-helixtrans-66.5-45.9175175.30000111R118 K119 T125 A126R118-V122 WeakPolarHBondContact O-CG2 3.39Å; R118-V122 PolarHBondContact O-N 3.34Å; K119-V122 PolarHBondContact O-N 3.35Å; V122-T125 PolarHBondContact O-N 3.37Å; V122-A126 PolarHBondContact O-N 3.48Å
123T52.6Low60Low80 Ų80109.3 Ų109.349%0.49159%0.588SS.*Hα-helixtrans-70.1-33.6177.135.50000114K119 C120 T125 A126 L127K119-T123 PolarHBondContact O-N 3.02Å; K119-T123 PolarHBondContact O-OG1 3.29Å; C120-T123 WeakPolarHBondContact CA-OG1 3.17Å; C120-T123 PolarHBondContact O-OG1 3.4Å; T123-T125 VanDerWaalsContact C-N 3.27Å; T123-T125 PolarHBondContact O-N 3.4Å; T123-A126 PolarHBondContact O-N 2.89Å; T123-L127 PolarHBondContact O-N 3.21Å
124A49.6Very low58Low51 Ų51113.2 Ų113.242%0.42160%0.604SS.*Hα-helixtrans-66.1-29.4175.300000112.7C120 L127C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 2.94Å; A124-L127 PolarHBondContact O-N 3.37Å
125T45.9Very low56.3Low101 Ų101115.2 Ų115.262%0.6262%0.619SS**Hα-helixtrans-76.3-30.7177.6-41.40000111.1K121 V122 T123 L127K121-T125 PolarHBondContact O-N 2.7Å; K121-T125 PolarHBondContact O-OG1 3.28Å; V122-T125 PolarHBondContact O-N 3.37Å; T123-T125 VanDerWaalsContact C-N 3.27Å; T123-T125 PolarHBondContact O-N 3.4Å; T125-L127 VanDerWaalsContact C-N 3.35Å
126A46.1Very low54.6Low81 Ų81123.1 Ų123.167%0.66966%0.661SS**Hα-helixtrans-74.5-18.7172.900000114.1V122 T123V122-A126 PolarHBondContact O-N 3.48Å; T123-A126 PolarHBondContact O-N 2.89Å
127L41.6Very low53.1Low144 Ų144128 Ų12875%0.75468%0.68SS**THydrogen-bonded Turntrans-93.9-6.6-178.4-146.282000114.2T123 A124 T125 T129T123-L127 PolarHBondContact O-N 3.21Å; A124-L127 PolarHBondContact O-N 3.37Å; T125-L127 VanDerWaalsContact C-N 3.35Å; L127-T129 PolarHBondContact O-N 3.15Å; L127-T129 VanDerWaalsContact O-N 3.15Å
128K42.5Very low51.3Low183 Ų183128.2 Ų128.280%0.79669%0.685SS**THydrogen-bonded Turntrans-7918.6-179.6-75.3-171.3-178.8-165.90114.8
129T45.2Very low50.1Low137 Ų137129 Ų12984%0.8470%0.7SS**THydrogen-bonded Turntrans-103.93.7170.5-46.50000112.8L127L127-T129 PolarHBondContact O-N 3.15Å; L127-T129 VanDerWaalsContact O-N 3.15Å
130A47.9Very low49.3Very low89 Ų89132.2 Ų132.274%0.73672%0.724SS**SBendtrans-142.560.8177.700000113.4
131K37.3Very low48.6Very low201 Ų201135.6 Ų135.687%0.87474%0.738SS**  trans-168.9117.7144.6-159.1147.2175172.30110.9
132E48.5Very low48.2Very low179 Ų179133 Ų13384%0.83674%0.739SS**  trans-64.6150.8168.3-57.7-175.3103.400111.1
133T44Very low48.4Very low128 Ų128134.4 Ų134.479%0.78575%0.747SS**  trans78.299.9167.7-40.20000116.7
134D46.3Very low48.1Very low137 Ų137140 Ų14073%0.73377%0.768SS**  -179.4155.497.5-149.1-112.1000109.5
135E55.8Low48.4Very low166 Ų166146.7 Ų146.778%0.77679%0.791SS**  trans-67.2138.7-155.1-61162.293.300115.4
136D51.3Low48.6Very low171 Ų171150.8 Ų150.891%0.91481%0.805SS**  trans-161.3124.9137.8-120.9-56.8000109.5
137E53.6Low48.4Very low166 Ų166154.8 Ų154.878%0.77681%0.81SS**  trans-80.7163.5-169.7-68-178100.600113.3
138D45.4Very low48.9Very low139 Ų139154.5 Ų154.574%0.74381%0.814SS**  trans76100.1158-59.6-60.8000119.4
139D52.1Low48.7Very low161 Ų161151.3 Ų151.386%0.86181%0.81SS**  -159.5116.9109.5-16444000109.9
140V54.6Low49Very low125 Ų125149.4 Ų149.476%0.75881%0.808SS**  trans-96105.6-177.2-75.80000109.8
141D46.1Very low48.7Very low144 Ų144151.8 Ų151.877%0.7781%0.814SS**  trans-114.690.2163.6-159.5-128.2000111.3
142S51.5Low49.1Very low102 Ų102148.1 Ų148.171%0.71380%0.803SS**  trans32.799.2137.8-54.80000118.4
143V59Low48.7Very low137 Ų137146.3 Ų146.383%0.8380%0.799SS**  trans-78.8130.5156.9-65.50000109.7
144E46.9Very low48.4Very low199 Ų199143.3 Ų143.393%0.9379%0.794SS**  trans-124.6107.5152.5-74-135.911000109.1
145E54.9Low48.2Very low190 Ų190141.4 Ų141.489%0.88880%0.798SS**  trans-74.9130.7175.7-170.917899.900108.8
146M49.3Very low47.7Very low187 Ų187138.2 Ų138.292%0.92180%0.799SS**  trans-112.7118.7169.967.6179.7-174.900111.5
147E42.8Very low47.2Very low165 Ų165136.6 Ų136.677%0.77180%0.796SS**  trans-62.3134.3-171.1-164.8-176.4125.600113.9T149E147-T149 HydrophobicContact CG-CG2 4.33Å; E147-T149 WeakPolarHBondContact OE1-CG2 3.4Å
148V51.5Low46.4Very low139 Ų139136.4 Ų136.484%0.84280%0.8SS**  trans-82.1122.3167.3167.80000108.8
149T39.7Very low46.5Very low116 Ų116133 Ų13371%0.71280%0.798SS**  trans-123.5127.7165.153.20000112E147E147-T149 HydrophobicContact CG-CG2 4.33Å; E147-T149 WeakPolarHBondContact OE1-CG2 3.4Å
150A49.9Very low45.7Very low96 Ų96132.6 Ų132.679%0.79380%0.801SS**  trans-81.4154.7179.700000112.5
151T42.2Very low45Very low140 Ų140131.7 Ų131.786%0.85980%0.799SS**  trans175.8149.9149.6-169.70000107.4
152N45.9Very low44.6Very low123 Ų123129.8 Ų129.866%0.65880%0.797SS**  cis-176.2151.2-26.218033.8000105.1
153D39.4Very low44.2Very low141 Ų141132.3 Ų132.375%0.75480%0.797SS**  trans67.1145.9145.9-104.7-63.4000125
154G38.2Very low43.2Very low65 Ų65131.9 Ų131.967%0.6780%0.797SS**  trans104.782.4148.200000115.7
155A41.8Very low42.9Very low98 Ų98128.8 Ų128.881%0.8178%0.783SS**  69.9111.273.700000116.3
156A45.3Very low42.6Very low98 Ų98125 Ų12581%0.8177%0.774SS**  trans60.7125.3143.900000122
157T41.2Very low41.9Very low137 Ų137120.7 Ų120.784%0.8476%0.763SS**  -169.8111.9116.463.40000108.3
158D36.6Very low42Very low163 Ų163119.5 Ų119.587%0.87276%0.762SS**  80.5108.592.6-158.5-110.5000115.9
159G48.6Very low41.6Very low67 Ų67118.9 Ų118.969%0.69176%0.761SS**  trans45.3119.9138.900000122.3
160V35Very low41.7Very low153 Ų153120.8 Ų120.893%0.92777%0.767SS**  -161.6149.8110.996.40000113
161C38.7Very low41.6Very low105 Ų105120.2 Ų120.271%0.70976%0.762SS**  trans-85.3143.5-169.6-172.20000113.3
162S37.3Very low41.6Very low105 Ų105122.4 Ų122.473%0.73476%0.762SS**  trans52.8117.7145.4-55.50000122.3
163Q43.8Very low41.5Very low154 Ų154122.7 Ų122.772%0.7277%0.769SS**  15.1142.6129.7-123.2177.6-78.400119E165Q163-E165 PolarHBondContact NE2-OE2 3.06Å
164P37.3Very low42Very low128 Ų128122.5 Ų122.583%0.83177%0.767SS**  -134149.883.131.2-15.3000114.8
165E41.8Very low42.5Very low135 Ų135127.6 Ų127.663%0.63177%0.77SS**  trans-52.1164.1164.4-112-176.188.200112Q163Q163-E165 PolarHBondContact NE2-OE2 3.06Å
166P48Very low43Very low109 Ų109131.6 Ų131.671%0.70877%0.772SS**  -153.3165.557.740.3-18.8000118.6
167S34.7Very low43.4Very low98 Ų98135.3 Ų135.369%0.68577%0.773SS**  trans97.5102.1147.2-35.30000117.9
168D45.9Very low43.8Very low139 Ų139134.9 Ų134.974%0.74377%0.765SS**  trans-38.6154.4139.1-68.1-88.9000112.9
169P42.7Very low44.4Very low127 Ų127133 Ų13383%0.82575%0.754SS**  cis-131.414235.233.6-14.2000116.3
170D41.4Very low44.6Very low156 Ų156134 Ų13483%0.83475%0.747SS**  trans-68.6159.5174.1-175.2-113.3000113.6
171A47.9Very low45.4Very low84 Ų84136.7 Ų136.769%0.69475%0.749SS**  trans10065.3169.600000116.6
172Q42.5Very low46Very low185 Ų185137.1 Ų137.186%0.86474%0.744SS**  trans-115.4107.4154.4-70.1-1728.300110.7
173T43.6Very low46.9Very low129 Ų129136 Ų13679%0.79175%0.75SS**  trans55.383.8132.5-28.80000117K175T173-K175 PolarHBondContact O-N 2.86Å
174I48.9Very low47.2Very low138 Ų138138.5 Ų138.571%0.70875%0.753SS**  trans-63.3126.6158.3-63.1164.6000107.8I179I174-I179 HydrophobicContact CG2-CD1 4.13Å
175K48.7Very low48.5Very low172 Ų172138.9 Ų138.975%0.74875%0.753SS**  trans-72.8122.9171.4-84.7-179.1168.8-173.70109.8T173 E177T173-K175 PolarHBondContact O-N 2.86Å; K175-E177 PolarHBondContact O-N 2.66Å
176E52.8Low49.5Very low182 Ų182138.5 Ų138.585%0.8575%0.753SS**THydrogen-bonded Turntrans-71.216.4-175-86.4172.772.200116.5
177E53.5Low50.1Low175 Ų175139.3 Ų139.382%0.81876%0.756SS**THydrogen-bonded Turntrans-1072.5-169.5-57.1-176.9100.500115.5K175K175-E177 PolarHBondContact O-N 2.66Å
178D50.5Low51.6Low129 Ų129144.2 Ų144.269%0.6976%0.76SS**SBendtrans-141.535.9179.5-147-96.9000112.9R188D178-R188 IonicContact OD2-NH2 3.76Å
179I48Very low52Low122 Ų122149.4 Ų149.463%0.62677%0.769SS**  trans-111.5108.5169.1-54.8169.1000107I174I174-I179 HydrophobicContact CG2-CD1 4.13Å
180V53.9Low52.4Low89 Ų89153.2 Ų153.254%0.53977%0.772SS.*  trans-74132.4163.1-108.60000107.5D182V180-D182 PolarHBondContact O-N 3.48Å
181E51.6Low52.4Low209 Ų209158.6 Ų158.698%0.97779%0.789SS**SBendtrans-6414.4-178.2-94.3-174.194.100115.6
182D51.3Low52.7Low115 Ų115162.4 Ų162.462%0.61579%0.793SS**SBendtrans-125.2126.9172.6-147.9-86000106.4V180 W184V180-D182 PolarHBondContact O-N 3.48Å; D182-W184 PolarHBondContact O-N 3.34Å
183G56Low53.2Low82 Ų82161.2 Ų161.285%0.84579%0.79SS**SBendtrans-64.350.8-166.100000117
184W51Low53.7Low206 Ų206162.9 Ų162.978%0.7879%0.789SS**  trans-132.9114.7179.8-66.995.4000110.5D182D182-W184 PolarHBondContact O-N 3.34Å
185T63.2Low54Low136 Ų136164.4 Ų164.483%0.83479%0.794SS**  trans-82.7127.8177-52.80000111.4V187T185-V187 PolarHBondContact O-N 3.28Å
186I63.9Low54.4Low126 Ų126163.9 Ų163.965%0.64680%0.797SS**  trans-73.9110178.2-59.8169000110.1R188I186-R188 PolarHBondContact O-N 3.48Å
187V60.7Low54.5Low127 Ų127162.7 Ų162.777%0.7779%0.794SS**  trans-82.8107176.5-166.40000110.3T185 R189T185-V187 PolarHBondContact O-N 3.28Å; V187-R189 PolarHBondContact O-N 3.42Å
188R65.1Low54.5Low200 Ų200161.9 Ų161.976%0.75579%0.792SS**PPolyproline II helixtrans-75.5118.6175.7-62.8-173.6-175.1167.27.4110.3D178 I186 K190D178-R188 IonicContact OD2-NH2 3.76Å; I186-R188 PolarHBondContact O-N 3.48Å; R188-K190 PolarHBondContact O-N 3.44Å
189R55.8Low54.8Low248 Ų248164.4 Ų164.494%0.93680%0.8SS**PPolyproline II helixtrans-76.4121.1175.9-53.3-177.1-161.11524.4109.4V187V187-R189 PolarHBondContact O-N 3.42Å
190K50.8Low55.4Low207 Ų207167.9 Ų167.990%0.981%0.814SS**PPolyproline II helixtrans-91.9135.1175.2-168.3168.3157.781.40109.4R188R188-K190 PolarHBondContact O-N 3.44Å
191K41.7Very low55.5Low270 Ų270175.1 Ų175.1100%1.17484%0.839SS**  trans-67.50179.8-179.3171.1179.1151.10112.5

Retrieved 191 of 191 residues in 84.8 ms (Link to these results)

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