A0A077Z5X0_TRITR Loading...

Actin-related protein 3

AlphaFold DB , UniProt , Accession A0A077Z5X0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 422 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
1M46.8Very low82.3Confident161 Ų16160 Ų6079%0.79337%0.368SS*.  0-13.40-67.6-167-156.100113.5G3 G386M1-G3 PolarHBondContact O-N 3.39Å; M1-G386 VanDerWaalsContact CE-O 3.27Å; M1-G386 WeakPolarHBondContact CE-O 2.89Å
2A42.9Very low83.3Confident116 Ų11655.9 Ų55.996%0.95934%0.342SS*.THydrogen-bonded Turntrans-65.3107.4172.500000110.2
3G65.5Low84Confident84 Ų8452.5 Ų52.587%0.86633%0.326SS*.THydrogen-bonded Turntrans133.2-14.7172.700000116.3M1M1-G3 PolarHBondContact O-N 3.39Å
4R77.4Confident84.6Confident144 Ų14450 Ų5054%0.54331%0.31SS..  trans-105.6138.9175.7-68.3-175.4-179.4-176.5-3.6110.4
5L92.2Very high85Confident87 Ų8747.5 Ų47.546%0.45530%0.298SS..PPolyproline II helixtrans-65.5153.2169.6-64.4-174.1000110.1D107 H108L5-D107 HydrophobicContact CD1-CB 3.81Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.48Å
6P94.4Very high85.5Confident57 Ų5749.3 Ų49.337%0.3730%0.298SS..PPolyproline II helixtrans-59.9140.7178.325.2-34.5000110.4F21 H108P6-F21 HydrophobicContact CB-CB 4.23Å; P6-F21 HydrophobicContact CB-CD1 4.47Å; P6-F21 HydrophobicContact CG-CB 4.19Å; P6-F21 HydrophobicContact CG-CD1 3.89Å; P6-F21 HydrophobicContact CG-CG 4.29Å; P6-H108 PolarHBondContact O-ND1 2.78Å
7P96.4Very high86.1Confident4 Ų446.4 Ų46.43%0.02628%0.28CS..PPolyproline II helixtrans-65.5155.117728.8-33.5000111.1F21 G22 Y109 A385 F390P7-F21 CarbonylContact O-C 3.57Å; P7-G22 PolarHBondContact O-N 2.9Å; P7-Y109 CarbonylContact C-O 3.52Å; P7-Y109 WeakPolarHBondContact CA-O 3.31Å; P7-Y109 VanDerWaalsContact CB-O 3.27Å; P7-Y109 WeakPolarHBondContact CB-O 3.27Å; P7-A385 HydrophobicContact CB-CB 4.2Å; P7-A385 HydrophobicContact CG-CB 3.51Å; P7-A385 WeakPolarHBondContact CG-O 3.37Å; P7-F390 HydrophobicContact CB-CD1 4.42Å; P7-F390 HydrophobicContact CB-CE1 3.55Å; P7-F390 HydrophobicContact CB-CZ 3.92Å; P7-F390 HydrophobicContact CG-CD1 4.39Å; P7-F390 HydrophobicContact CG-CE1 3.97Å
8I97.8Very high86.7Confident0 Ų045.3 Ų45.30%027%0.271CS..EExtended strand (participates in β ladder)trans-94.2133.7175.4-69.4167.8000109I10 F21 L101 A103 H108 Y109 F110 L111I8-I10 HydrophobicContact CG2-CD1 4.06Å; I8-I10 HydrophobicContact CG2-CG1 3.82Å; I8-F21 HydrophobicContact CD1-CE1 4.25Å; I8-F21 HydrophobicContact CG1-CD1 3.96Å; I8-F21 HydrophobicContact CG1-CE1 3.82Å; I8-L101 HydrophobicContact CD1-CD1 4.22Å; I8-L101 HydrophobicContact CG1-CD1 4.3Å; I8-L101 HydrophobicContact CG2-CD1 3.45Å; I8-L101 VanDerWaalsContact CG2-CD1 3.45Å; I8-A103 HydrophobicContact CD1-CB 3.55Å; I8-H108 HydrophobicContact CD1-CB 3.69Å; I8-H108 HydrophobicContact CG1-CB 4Å; I8-Y109 PolarHBondContact N-O 2.98Å; I8-F110 HydrophobicContact CB-CD1 3.77Å; I8-F110 HydrophobicContact CB-CE1 3.68Å; I8-F110 HydrophobicContact CB-CG 4.29Å; I8-F110 HydrophobicContact CB-CZ 4.11Å; I8-F110 HydrophobicContact CD1-CE1 3.83Å; I8-F110 HydrophobicContact CD1-CE2 4.08Å; I8-F110 HydrophobicContact CD1-CZ 3.48Å; I8-F110 VanDerWaalsContact CD1-CZ 3.48Å; I8-F110 HydrophobicContact CG1-CE1 4.36Å; I8-F110 HydrophobicContact CG1-CZ 4.36Å; I8-F110 HydrophobicContact CG2-CD1 3.69Å; I8-F110 HydrophobicContact CG2-CE1 3.48Å; I8-F110 VanDerWaalsContact CG2-CE1 3.48Å; I8-F110 HydrophobicContact CG2-CZ 4.28Å; I8-F110 CarbonylContact O-C 3.58Å; I8-F110 WeakPolarHBondContact O-CA 3.22Å; I8-L111 PolarHBondContact O-N 3.45Å
9V97.9Very high87.2Confident0 Ų042.9 Ų42.90%026%0.257CS..EExtended strand (participates in β ladder)trans-116.9122.2179.8-177.10000109.2L19 G20 L111 W378 A385V9-L19 WeakPolarHBondContact O-CA 3.41Å; V9-G20 PolarHBondContact N-O 3.33Å; V9-G20 PolarHBondContact O-N 3.24Å; V9-G20 VanDerWaalsContact O-N 3.08Å; V9-L111 WeakPolarHBondContact CA-O 3.3Å; V9-L111 HydrophobicContact CG1-CD2 4.09Å; V9-L111 HydrophobicContact CG2-CB 4.22Å; V9-W378 HydrophobicContact CB-CZ2 4.42Å; V9-W378 HydrophobicContact CG1-CG 4.27Å; V9-W378 PolarHBondContact O-NE1 2.68Å; V9-A385 HydrophobicContact CG2-CB 3.94Å
10I97.6Very high87.7Confident0 Ų040.8 Ų40.80%024%0.244CC..EExtended strand (participates in β ladder)trans-128.1113.1178.9-47.9179.3000109.7I8 N12 K18 L19 F110 L111 L112 T113I8-I10 HydrophobicContact CG2-CD1 4.06Å; I8-I10 HydrophobicContact CG2-CG1 3.82Å; I10-N12 WeakPolarHBondContact CG2-OD1 3.26Å; I10-K18 WeakPolarHBondContact CA-O 3.39Å; I10-L19 HydrophobicContact CG1-CB 4.3Å; I10-L19 HydrophobicContact CG2-CB 4.42Å; I10-F110 HydrophobicContact CD1-CD1 4.31Å; I10-F110 HydrophobicContact CD1-CE1 4.23Å; I10-L111 PolarHBondContact N-O 2.83Å; I10-L112 HydrophobicContact CB-CD2 3.62Å; I10-L112 HydrophobicContact CD1-CD2 4.08Å; I10-L112 HydrophobicContact CG1-CD2 4.08Å; I10-L112 HydrophobicContact CG2-CD2 4.46Å; I10-T113 PolarHBondContact O-N 3.32Å
11D96Very high88.1Confident7 Ų741 Ų414%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-97.8105170.1170.740000109.6S17 K18 T113 Q144 V377 W378D11-S17 CarbonylContact O-C 3.59Å; D11-S17 VanDerWaalsContact O-CA 3.27Å; D11-S17 WeakPolarHBondContact O-CA 3.33Å; D11-K18 HydrophobicContact CB-CB 4.42Å; D11-K18 HydrophobicContact CB-CD 4.28Å; D11-K18 PolarHBondContact N-O 2.92Å; D11-K18 PolarHBondContact O-N 3.47Å; D11-K18 WeakPolarHBondContact OD2-CD 3.41Å; D11-K18 IonicContact OD2-NZ 3.4Å; D11-K18 PolarHBondContact OD2-NZ 3Å; D11-T113 WeakPolarHBondContact CA-OG1 3.32Å; D11-T113 HydrophobicContact CB-CG2 3.86Å; D11-T113 PolarHBondContact OD1-OG1 2.84Å; D11-T113 VanDerWaalsContact OD1-OG1 3.14Å; D11-Q144 PolarHBondContact OD1-NE2 3.45Å; D11-V377 HydrophobicContact CB-CG1 4.28Å; D11-W378 HydrophobicContact CB-CB 4.05Å
12N94.6Very high90.3Very high11 Ų1133.8 Ų33.86%0.05921%0.209CC..EExtended strand (participates in β ladder)trans-93109-179.8-61.5-69.2000109.9I10 S17 I78 M89 W93 T113I10-N12 WeakPolarHBondContact CG2-OD1 3.26Å; N12-S17 PolarHBondContact OD1-OG 3.42Å; N12-I78 HydrophobicContact CB-CD1 3.7Å; N12-M89 HydrophobicContact CB-CE 4.38Å; N12-M89 WeakPolarHBondContact OD1-CE 3.38Å; N12-W93 PolarHBondContact ND2-NE1 2.74Å; N12-W93 VanDerWaalsContact ND2-NE1 3.18Å; N12-W93 PolarHBondContact OD1-NE1 3.27Å; N12-T113 PolarHBondContact N-OG1 3.28Å
13G92.6Very high92.5Very high12 Ų1231.1 Ų31.112%0.12419%0.192CC..  trans-103.9168.3175.900000112.8G15 Y16 S33G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 2.87Å; G13-Y16 WeakPolarHBondContact CA-O 3.23Å; G13-Y16 PolarHBondContact N-O 3.39Å; G13-Y16 VanDerWaalsContact N-O 3.13Å; G13-S33 VanDerWaalsContact O-CB 3.27Å; G13-S33 WeakPolarHBondContact O-CB 3.19Å; G13-S33 PolarHBondContact O-OG 2.61Å
14T92.3Very high93.7Very high17 Ų1730.3 Ų30.310%0.10417%0.168CC..SBendtrans-62.1-36.3176.9-47.80000113.6G81T14-G81 PolarHBondContact OG1-N 3.27Å
15G90.8Very high94.2Very high13 Ų1327.3 Ų27.313%0.13417%0.169CC..SBendtrans-102.6-34.7-178.200000113.6G13 P32 S33G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 2.87Å; G15-P32 WeakPolarHBondContact O-CA 3.42Å; G15-S33 PolarHBondContact O-N 2.75Å
16Y93.7Very high94.2Very high75 Ų7528.3 Ų28.329%0.29417%0.172SC..EExtended strand (participates in β ladder)trans-145.3134.6-171.4-72.3-85.2000111.3G13 K18 I30 I31 P32 S33 K225G13-Y16 WeakPolarHBondContact CA-O 3.23Å; G13-Y16 PolarHBondContact N-O 3.39Å; G13-Y16 VanDerWaalsContact N-O 3.13Å; Y16-K18 WeakPolarHBondContact O-CE 3.17Å; Y16-K18 PolarHBondContact O-NZ 3.37Å; Y16-I30 HydrophobicContact CD1-CG2 4.02Å; Y16-I30 HydrophobicContact CG-CG2 4.47Å; Y16-I31 CarbonylContact C-O 3.6Å; Y16-I31 VanDerWaalsContact CA-O 3.3Å; Y16-I31 WeakPolarHBondContact CA-O 3.38Å; Y16-P32 HydrophobicContact CE1-CG 4.16Å; Y16-S33 VanDerWaalsContact CA-OG 3.31Å; Y16-S33 WeakPolarHBondContact CA-OG 3.39Å; Y16-S33 PolarHBondContact N-OG 3.36Å; Y16-K225 PolarHBondContact OH-NZ 2.86Å
17S95.7Very high94.2Very high0 Ų026.3 Ų26.30%016%0.159CC..EExtended strand (participates in β ladder)trans-100.4133.7170.3-62.80000108.9D11 N12 I30 I31 S33 F92D11-S17 CarbonylContact O-C 3.59Å; D11-S17 VanDerWaalsContact O-CA 3.27Å; D11-S17 WeakPolarHBondContact O-CA 3.33Å; N12-S17 PolarHBondContact OD1-OG 3.42Å; S17-I30 WeakPolarHBondContact O-CA 3.22Å; S17-I31 PolarHBondContact N-O 3.43Å; S17-I31 PolarHBondContact O-N 3.32Å; S17-S33 PolarHBondContact N-OG 3.02Å; S17-S33 PolarHBondContact OG-OG 3.07Å; S17-F92 WeakPolarHBondContact OG-CE1 3.47Å
18K95.8Very high94.1Very high27 Ų2729.4 Ų29.412%0.11718%0.175CC..EExtended strand (participates in β ladder)trans-114.2126.4176.4-54.694.1-165.5167.20107.8I10 D11 Y16 P27 F29 I30 W378I10-K18 WeakPolarHBondContact CA-O 3.39Å; D11-K18 HydrophobicContact CB-CB 4.42Å; D11-K18 HydrophobicContact CB-CD 4.28Å; D11-K18 PolarHBondContact N-O 2.92Å; D11-K18 PolarHBondContact O-N 3.47Å; D11-K18 WeakPolarHBondContact OD2-CD 3.41Å; D11-K18 IonicContact OD2-NZ 3.4Å; D11-K18 PolarHBondContact OD2-NZ 3Å; Y16-K18 WeakPolarHBondContact O-CE 3.17Å; Y16-K18 PolarHBondContact O-NZ 3.37Å; K18-P27 HydrophobicContact CB-CB 3.93Å; K18-P27 HydrophobicContact CB-CG 3.81Å; K18-P27 HydrophobicContact CG-CG 4.26Å; K18-F29 WeakPolarHBondContact CA-O 3.37Å; K18-I30 HydrophobicContact CB-CG1 4.43Å; K18-I30 HydrophobicContact CG-CB 4.44Å; K18-I30 HydrophobicContact CG-CD1 4.47Å; K18-I30 HydrophobicContact CG-CG1 3.9Å; K18-I30 HydrophobicContact CG-CG2 4.14Å; K18-W378 HydrophobicContact CB-CB 4.14Å; K18-W378 HydrophobicContact CB-CG 4.04Å
19L96.2Very high94.1Very high0 Ų033.2 Ų33.20%019%0.192CC..EExtended strand (participates in β ladder)trans-135.3146.7-174.356.6117.5000110.2V9 I10 D28 F29 I31 C96 C100 L101V9-L19 WeakPolarHBondContact O-CA 3.41Å; I10-L19 HydrophobicContact CG1-CB 4.3Å; I10-L19 HydrophobicContact CG2-CB 4.42Å; L19-D28 PolarHBondContact O-N 3.28Å; L19-F29 HydrophobicContact CD1-CB 3.82Å; L19-F29 HydrophobicContact CD1-CD2 3.47Å; L19-F29 VanDerWaalsContact CD1-CD2 3.47Å; L19-F29 HydrophobicContact CD1-CE2 4.38Å; L19-F29 HydrophobicContact CD1-CG 3.95Å; L19-F29 HydrophobicContact CD2-CB 4.16Å; L19-F29 HydrophobicContact CG-CB 3.81Å; L19-F29 HydrophobicContact CG-CD2 4.31Å; L19-F29 HydrophobicContact CG-CG 4.48Å; L19-F29 PolarHBondContact N-O 2.98Å; L19-F29 PolarHBondContact O-N 3.27Å; L19-I31 HydrophobicContact CD2-CD1 3.7Å; L19-I31 HydrophobicContact CD2-CG1 3.85Å; L19-C96 HydrophobicContact CD2-CB 4.43Å; L19-C100 HydrophobicContact CD1-CB 3.74Å; L19-L101 HydrophobicContact CD1-CD1 4.15Å; L19-L101 HydrophobicContact CD1-CD2 3.65Å; L19-L101 HydrophobicContact CD1-CG 3.6Å
20G97Very high93.9Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans171.3-178.917700000112.9V9 D28V9-G20 PolarHBondContact N-O 3.33Å; V9-G20 PolarHBondContact O-N 3.24Å; V9-G20 VanDerWaalsContact O-N 3.08Å; G20-D28 WeakPolarHBondContact CA-OD2 3.43Å
21F96Very high93.8Very high47 Ų4737.6 Ų37.621%0.20621%0.214CC..EExtended strand (participates in β ladder)trans-85.7138.5178.8-62.8-81.9000112P6 P7 I8 N24 D28 L101 A103 H108P6-F21 HydrophobicContact CB-CB 4.23Å; P6-F21 HydrophobicContact CB-CD1 4.47Å; P6-F21 HydrophobicContact CG-CB 4.19Å; P6-F21 HydrophobicContact CG-CD1 3.89Å; P6-F21 HydrophobicContact CG-CG 4.29Å; P7-F21 CarbonylContact O-C 3.57Å; I8-F21 HydrophobicContact CD1-CE1 4.25Å; I8-F21 HydrophobicContact CG1-CD1 3.96Å; I8-F21 HydrophobicContact CG1-CE1 3.82Å; F21-N24 WeakPolarHBondContact O-CB 3.34Å; F21-N24 PolarHBondContact O-N 3.05Å; F21-D28 WeakPolarHBondContact CD2-OD2 3.5Å; F21-D28 PolarHBondContact N-OD2 3.44Å; F21-L101 HydrophobicContact CD2-CD2 4.45Å; F21-L101 HydrophobicContact CE2-CD2 4.03Å; F21-L101 HydrophobicContact CZ-CB 4.31Å; F21-L101 HydrophobicContact CZ-CD2 4.4Å; F21-A103 HydrophobicContact CE1-CB 4.46Å; F21-A103 HydrophobicContact CZ-CB 4.39Å; F21-H108 AromaticContact CE1-CE1 3.56Å; F21-H108 AromaticContact CE1-ND1 3.91Å
22G92.9Very high93.7Very high9 Ų937.6 Ų37.69%0.09322%0.215CC..THydrogen-bonded Turntrans-62.7141174.600000111.6P7P7-G22 PolarHBondContact O-N 2.9Å
23G88.8Confident93.8Very high59 Ų5937.1 Ų37.161%0.60821%0.212SC*.THydrogen-bonded Turntrans98.1-20.2-171.300000113.7S382G23-S382 PolarHBondContact N-O 3.36Å; G23-S382 PolarHBondContact N-OG 2.77Å
24N91.8Very high93.9Very high67 Ų6736.6 Ų36.636%0.35821%0.206SC..  trans-74.8148.5173.9-70.6-14.7000111.4F21 D28 W378 S382F21-N24 WeakPolarHBondContact O-CB 3.34Å; F21-N24 PolarHBondContact O-N 3.05Å; N24-D28 PolarHBondContact ND2-OD1 3.28Å; N24-D28 PolarHBondContact ND2-OD2 3.27Å; N24-W378 HydrophobicContact CB-CH2 4Å; N24-S382 PolarHBondContact N-OG 3.43Å; N24-S382 PolarHBondContact O-OG 3Å
25S88.6Confident94.1Very high81 Ų8135.8 Ų35.857%0.56620%0.201SC*.SBendtrans-80.1-23.3179.854.10000113.9Y375 F379S25-Y375 WeakPolarHBondContact O-CE2 3.32Å; S25-F379 VanDerWaalsContact O-CD2 3.26Å; S25-F379 WeakPolarHBondContact O-CD2 3.16Å
26E91.4Very high94.3Very high108 Ų10835.1 Ų35.151%0.50520%0.195SC..SBendtrans-134152179.9-47-159.9128.600109Y375 W378E26-Y375 HydrophobicContact CG-CE2 4.44Å; E26-Y375 WeakPolarHBondContact CG-OH 3.25Å; E26-Y375 PolarHBondContact OE1-OH 3.19Å; E26-W378 VanDerWaalsContact C-CH2 3.45Å; E26-W378 WeakPolarHBondContact O-CH2 3.33Å; E26-W378 WeakPolarHBondContact O-CZ3 3.22Å
27P94.3Very high94.2Very high16 Ų1632.5 Ų32.510%0.10419%0.187CC..  trans-60.6141.8173.2-1425.2000110.7K18 F29 I30 Y375 W378K18-P27 HydrophobicContact CB-CB 3.93Å; K18-P27 HydrophobicContact CB-CG 3.81Å; K18-P27 HydrophobicContact CG-CG 4.26Å; P27-F29 VanDerWaalsContact C-N 3.27Å; P27-F29 PolarHBondContact O-N 3.46Å; P27-I30 HydrophobicContact CB-CG1 4.09Å; P27-I30 HydrophobicContact CG-CD1 4.26Å; P27-I30 HydrophobicContact CG-CG1 4.09Å; P27-Y375 HydrophobicContact CG-CD2 4.38Å; P27-Y375 HydrophobicContact CG-CG 4.04Å; P27-W378 HydrophobicContact CB-CD2 3.87Å; P27-W378 HydrophobicContact CB-CE3 4.18Å; P27-W378 HydrophobicContact CB-CG 4.28Å; P27-W378 HydrophobicContact CB-CZ2 4.28Å; P27-W378 HydrophobicContact CG-CB 4.36Å; P27-W378 HydrophobicContact CG-CD2 3.59Å; P27-W378 HydrophobicContact CG-CE3 3.63Å; P27-W378 HydrophobicContact CG-CG 3.89Å; P27-W378 HydrophobicContact CG-CZ3 4.27Å; P27-W378 VanDerWaalsContact N-CZ3 3.3Å
28D95.2Very high93.7Very high69 Ų6936.7 Ų36.737%0.36921%0.205SC..SBendtrans-67.2-34.8174.8-63.3-63.5000110.6L19 G20 F21 N24L19-D28 PolarHBondContact O-N 3.28Å; G20-D28 WeakPolarHBondContact CA-OD2 3.43Å; F21-D28 WeakPolarHBondContact CD2-OD2 3.5Å; F21-D28 PolarHBondContact N-OD2 3.44Å; N24-D28 PolarHBondContact ND2-OD1 3.28Å; N24-D28 PolarHBondContact ND2-OD2 3.27Å
29F96.2Very high92.5Very high80 Ų8041.8 Ų41.835%0.35123%0.229SC..EExtended strand (participates in β ladder)trans-136.8142.4173.7-50.4-100.3000112.1K18 L19 P27 I31 C100 L101K18-F29 WeakPolarHBondContact CA-O 3.37Å; L19-F29 HydrophobicContact CD1-CB 3.82Å; L19-F29 HydrophobicContact CD1-CD2 3.47Å; L19-F29 VanDerWaalsContact CD1-CD2 3.47Å; L19-F29 HydrophobicContact CD1-CE2 4.38Å; L19-F29 HydrophobicContact CD1-CG 3.95Å; L19-F29 HydrophobicContact CD2-CB 4.16Å; L19-F29 HydrophobicContact CG-CB 3.81Å; L19-F29 HydrophobicContact CG-CD2 4.31Å; L19-F29 HydrophobicContact CG-CG 4.48Å; L19-F29 PolarHBondContact N-O 2.98Å; L19-F29 PolarHBondContact O-N 3.27Å; P27-F29 VanDerWaalsContact C-N 3.27Å; P27-F29 PolarHBondContact O-N 3.46Å; F29-I31 HydrophobicContact CB-CG2 4.22Å; F29-C100 HydrophobicContact CD2-CB 4.15Å; F29-C100 HydrophobicContact CE2-CB 4.15Å; F29-C100 WeakPolarHBondContact CE2-O 3.24Å; F29-C100 HydrophobicContact CG-CB 4.36Å; F29-C100 HydrophobicContact CZ-CB 4.35Å; F29-C100 WeakPolarHBondContact CZ-O 3.41Å; F29-L101 HydrophobicContact CD2-CD2 4.41Å; F29-L101 HydrophobicContact CE2-CD2 4.44Å
30I94.6Very high90.6Very high76 Ų7644.9 Ų44.939%0.3925%0.248SC..EExtended strand (participates in β ladder)trans-123.7105168-58.2177.1000106.1Y16 S17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 4.02Å; Y16-I30 HydrophobicContact CG-CG2 4.47Å; S17-I30 WeakPolarHBondContact O-CA 3.22Å; K18-I30 HydrophobicContact CB-CG1 4.43Å; K18-I30 HydrophobicContact CG-CB 4.44Å; K18-I30 HydrophobicContact CG-CD1 4.47Å; K18-I30 HydrophobicContact CG-CG1 3.9Å; K18-I30 HydrophobicContact CG-CG2 4.14Å; P27-I30 HydrophobicContact CB-CG1 4.09Å; P27-I30 HydrophobicContact CG-CD1 4.26Å; P27-I30 HydrophobicContact CG-CG1 4.09Å
31I95Very high88.2Confident16 Ų1649.3 Ų49.38%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-118.9147.4-174.359.6173.8000110.8Y16 S17 L19 F29 S33 I62 F92Y16-I31 CarbonylContact C-O 3.6Å; Y16-I31 VanDerWaalsContact CA-O 3.3Å; Y16-I31 WeakPolarHBondContact CA-O 3.38Å; S17-I31 PolarHBondContact N-O 3.43Å; S17-I31 PolarHBondContact O-N 3.32Å; L19-I31 HydrophobicContact CD2-CD1 3.7Å; L19-I31 HydrophobicContact CD2-CG1 3.85Å; F29-I31 HydrophobicContact CB-CG2 4.22Å; I31-S33 PolarHBondContact O-N 3.49Å; I31-I62 HydrophobicContact CD1-CD1 3.56Å; I31-I62 HydrophobicContact CD1-CG1 4.23Å; I31-F92 HydrophobicContact CD1-CE1 4.42Å; I31-F92 HydrophobicContact CD1-CE2 4.37Å; I31-F92 HydrophobicContact CD1-CZ 3.75Å; I31-F92 HydrophobicContact CG1-CZ 4.18Å
32P94.9Very high85.8Confident7 Ų749.2 Ų49.25%0.04529%0.289CS..EExtended strand (participates in β ladder)trans-52.6135.7168.5-25.532.2000111.7G15 Y16 A34 G63 D64 L67G15-P32 WeakPolarHBondContact O-CA 3.42Å; Y16-P32 HydrophobicContact CE1-CG 4.16Å; P32-A34 HydrophobicContact CB-CB 4.37Å; P32-A34 PolarHBondContact O-N 2.92Å; P32-G63 WeakPolarHBondContact O-CA 3.38Å; P32-D64 WeakPolarHBondContact CD-OD1 3.13Å; P32-D64 VanDerWaalsContact CG-OD1 3.29Å; P32-D64 WeakPolarHBondContact CG-OD1 3.18Å; P32-L67 HydrophobicContact CB-CD1 3.97Å; P32-L67 HydrophobicContact CB-CG 4.49Å; P32-L67 HydrophobicContact CG-CD1 3.73Å
33S95.8Very high83.3Confident1 Ų155.7 Ų55.71%0.00733%0.327CS..SBendtrans-79.457.6175.9-54.40000110.8G13 G15 Y16 S17 I31G13-S33 VanDerWaalsContact O-CB 3.27Å; G13-S33 WeakPolarHBondContact O-CB 3.19Å; G13-S33 PolarHBondContact O-OG 2.61Å; G15-S33 PolarHBondContact O-N 2.75Å; Y16-S33 VanDerWaalsContact CA-OG 3.31Å; Y16-S33 WeakPolarHBondContact CA-OG 3.39Å; Y16-S33 PolarHBondContact N-OG 3.36Å; S17-S33 PolarHBondContact N-OG 3.02Å; S17-S33 PolarHBondContact OG-OG 3.07Å; I31-S33 PolarHBondContact O-N 3.49Å
34A95.9Very high81.6Confident0 Ų054.3 Ų54.30%031%0.313CS..  trans-129.2144.8-176.200000109.7P32 I62 G63 L67 I74 K75 Y76P32-A34 HydrophobicContact CB-CB 4.37Å; P32-A34 PolarHBondContact O-N 2.92Å; A34-I62 CarbonylContact O-C 3.59Å; A34-I62 VanDerWaalsContact O-CA 3.3Å; A34-I62 WeakPolarHBondContact O-CA 3.38Å; A34-G63 PolarHBondContact O-N 2.95Å; A34-L67 HydrophobicContact CB-CD2 4.21Å; A34-I74 HydrophobicContact CB-CG2 4.1Å; A34-K75 WeakPolarHBondContact CA-O 3.3Å; A34-Y76 HydrophobicContact CB-CD1 3.98Å; A34-Y76 HydrophobicContact CB-CE1 3.67Å
35I95.7Very high79.7Confident0 Ų056.4 Ų56.40%032%0.324CS..EExtended strand (participates in β ladder)trans-128.7130175.7-174.8169000108.9V37 F60 F61 I62 K75 L88 R91I35-V37 HydrophobicContact CD1-CG1 4.25Å; I35-V37 HydrophobicContact CG1-CG1 4Å; I35-F60 HydrophobicContact CD1-CB 4.41Å; I35-F60 HydrophobicContact CD1-CD2 3.64Å; I35-F60 HydrophobicContact CD1-CE2 4.15Å; I35-F60 HydrophobicContact CD1-CG 4.18Å; I35-F60 HydrophobicContact CG1-CB 4.34Å; I35-F60 HydrophobicContact CG1-CD2 3.97Å; I35-F61 CarbonylContact C-O 3.58Å; I35-F61 WeakPolarHBondContact CA-O 3.42Å; I35-I62 HydrophobicContact CB-CG2 4.24Å; I35-I62 HydrophobicContact CD1-CG2 4.31Å; I35-I62 HydrophobicContact CG1-CG2 4.01Å; I35-K75 HydrophobicContact CG2-CB 4Å; I35-K75 PolarHBondContact N-O 2.96Å; I35-K75 PolarHBondContact O-N 2.9Å; I35-L88 HydrophobicContact CD1-CD2 4.23Å; I35-L88 HydrophobicContact CG2-CB 4.13Å; I35-L88 HydrophobicContact CG2-CD1 4.02Å; I35-L88 HydrophobicContact CG2-CD2 4.09Å; I35-L88 HydrophobicContact CG2-CG 4.32Å; I35-R91 HydrophobicContact CD1-CB 3.8Å
36A94.8Very high78.3Confident0 Ų059.4 Ų59.40%033%0.329CS..EExtended strand (participates in β ladder)trans-99.3117176.200000108.8F60 F61 A66 A69 Y72A36-F60 VanDerWaalsContact O-CA 3.31Å; A36-F60 WeakPolarHBondContact O-CA 3.36Å; A36-F60 WeakPolarHBondContact O-CB 3.48Å; A36-F61 HydrophobicContact CB-CB 4.34Å; A36-F61 PolarHBondContact N-O 2.95Å; A36-F61 PolarHBondContact O-N 2.85Å; A36-F61 VanDerWaalsContact O-N 3.13Å; A36-A66 HydrophobicContact CB-CB 3.58Å; A36-A69 HydrophobicContact CB-CB 3.98Å; A36-Y72 HydrophobicContact CB-CD1 4.42Å; A36-Y72 HydrophobicContact CB-CG 4.25Å
37V91.6Very high76.6Confident20 Ų2058.7 Ų58.712%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-121148.2-179.5-62.10000110.4I35 E39 F60 A73 K75 L88I35-V37 HydrophobicContact CD1-CG1 4.25Å; I35-V37 HydrophobicContact CG1-CG1 4Å; V37-E39 PolarHBondContact O-N 3.14Å; V37-F60 HydrophobicContact CG1-CB 4.22Å; V37-A73 PolarHBondContact N-O 3.06Å; V37-A73 PolarHBondContact O-N 3.04Å; V37-K75 HydrophobicContact CG2-CG 3.86Å; V37-L88 HydrophobicContact CG1-CD2 3.79Å
38K84.4Confident74.7Confident88 Ų8864 Ų6438%0.38336%0.355SS..  trans-78.9116.7179.5-163.1-177.2-170.2171.50109.7V40 D56 E59 Y72K38-V40 HydrophobicContact CB-CG2 4.41Å; K38-V40 HydrophobicContact CD-CG2 3.92Å; K38-V40 HydrophobicContact CG-CG2 3.89Å; K38-V40 PolarHBondContact O-N 3.5Å; K38-V40 VanDerWaalsContact O-N 3.11Å; K38-D56 IonicContact NZ-OD1 3.39Å; K38-D56 PolarHBondContact NZ-OD1 2.68Å; K38-E59 IonicContact NZ-OE2 3.09Å; K38-E59 PolarHBondContact NZ-OE2 3.22Å; K38-Y72 HydrophobicContact CB-CD1 4.29Å; K38-Y72 HydrophobicContact CB-CE1 4.16Å
39E70.7Confident72.7Confident133 Ų13365.7 Ų65.762%0.62136%0.357SS*.  trans-81.689.6172.1-80.1-174.1174.200109.5V37 A41 A73 K75V37-E39 PolarHBondContact O-N 3.14Å; E39-A41 PolarHBondContact O-N 3.27Å; E39-A73 HydrophobicContact CB-CB 4.42Å; E39-A73 VanDerWaalsContact CD-CB 3.46Å; E39-A73 HydrophobicContact CG-CB 3.57Å; E39-K75 WeakPolarHBondContact OE1-CE 3.42Å; E39-K75 IonicContact OE1-NZ 3.46Å; E39-K75 PolarHBondContact OE1-NZ 3.33Å
40V57.4Low70.8Confident65 Ų6570.7 Ų70.739%0.39437%0.373SS..  trans-83104.7173-163.30000108.9K38 C42 D56K38-V40 HydrophobicContact CB-CG2 4.41Å; K38-V40 HydrophobicContact CD-CG2 3.92Å; K38-V40 HydrophobicContact CG-CG2 3.89Å; K38-V40 PolarHBondContact O-N 3.5Å; K38-V40 VanDerWaalsContact O-N 3.11Å; V40-C42 WeakPolarHBondContact CG1-SG 3.25Å; V40-C42 PolarHBondContact O-N 3.05Å; V40-D56 WeakPolarHBondContact CG2-OD2 3.46Å
41A47.2Very low68.8Low94 Ų9473.4 Ų73.478%0.77739%0.388SS*.  trans-68.181160.100000108.4E39 V43E39-A41 PolarHBondContact O-N 3.27Å; A41-V43 VanDerWaalsContact C-N 3.33Å; A41-V43 PolarHBondContact O-N 3.18Å
42C44.5Very low66.7Low44 Ų4475.2 Ų75.230%0.29740%0.4SS..  trans-70.488.1179.3-63.90000110.8V40 G44 R49V40-C42 WeakPolarHBondContact CG1-SG 3.25Å; V40-C42 PolarHBondContact O-N 3.05Å; C42-G44 PolarHBondContact O-N 3.07Å; C42-R49 HydrophobicContact CB-CG 3.93Å; C42-R49 PolarHBondContact O-NE 3.09Å
43V40.4Very low64.6Low146 Ų14682.6 Ų82.689%0.88543%0.426SS*.  trans-84.994.1160.3-174.30000107.1A41A41-V43 VanDerWaalsContact C-N 3.33Å; A41-V43 PolarHBondContact O-N 3.18Å
44G52.8Low62.5Low30 Ų3089.5 Ų89.531%0.30946%0.46SS..SBendtrans-176.2172.7-178.200000113.7C42 R49C42-G44 PolarHBondContact O-N 3.07Å; G44-R49 PolarHBondContact O-NE 3.07Å; G44-R49 PolarHBondContact O-NH2 3.48Å
45D53.3Low60.5Low111 Ų11192.7 Ų92.759%0.59449%0.486SS*.  trans-66.1150.1-176.3-161.42.5000112.6T47 Q48 R49D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 2.93Å; D45-T47 VanDerWaalsContact O-N 3.16Å; D45-Q48 PolarHBondContact O-N 2.95Å; D45-Q48 VanDerWaalsContact O-N 3.12Å; D45-R49 PolarHBondContact O-N 2.73Å; D45-R49 VanDerWaalsContact O-N 3.11Å
46Q57.9Low58.7Low143 Ų14394.3 Ų94.367%0.66850%0.495SS*.Hα-helixtrans-59.1-32.9-168.5-71.7-170.75.600113.8R49 R50Q46-R49 PolarHBondContact O-N 3.02Å; Q46-R50 PolarHBondContact O-N 3.49Å
47T56.8Low57.2Low94 Ų9497.6 Ų97.658%0.57751%0.513SS*.Hα-helixtrans-71-4117824.90000112.4D45 R49 R50 L51D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 2.93Å; D45-T47 VanDerWaalsContact O-N 3.16Å; T47-R49 VanDerWaalsContact C-N 3.32Å; T47-R50 PolarHBondContact O-N 3.46Å; T47-L51 PolarHBondContact O-N 3.03Å
48Q53.1Low56.2Low127 Ų127102.6 Ų102.659%0.59354%0.538SS*.Hα-helixtrans-65.6-37.3173.6-77.2-177.9-27.400111.1D45 R50 L51 V52D45-Q48 PolarHBondContact O-N 2.95Å; D45-Q48 VanDerWaalsContact O-N 3.12Å; Q48-R50 VanDerWaalsContact C-N 3.27Å; Q48-R50 PolarHBondContact O-N 3.17Å; Q48-L51 PolarHBondContact O-N 3.24Å; Q48-V52 VanDerWaalsContact O-CB 3.27Å; Q48-V52 WeakPolarHBondContact O-CB 3.45Å; Q48-V52 WeakPolarHBondContact O-CG2 3.25Å; Q48-V52 PolarHBondContact O-N 3.42Å
49R53.1Low56.2Low104 Ų104102.1 Ų102.139%0.39254%0.537SS..Hα-helixtrans-59.4-34.8175.5-65-172.3-159.1-179.23.5113.3C42 G44 D45 Q46 T47 R53C42-R49 HydrophobicContact CB-CG 3.93Å; C42-R49 PolarHBondContact O-NE 3.09Å; G44-R49 PolarHBondContact O-NE 3.07Å; G44-R49 PolarHBondContact O-NH2 3.48Å; D45-R49 PolarHBondContact O-N 2.73Å; D45-R49 VanDerWaalsContact O-N 3.11Å; Q46-R49 PolarHBondContact O-N 3.02Å; T47-R49 VanDerWaalsContact C-N 3.32Å; R49-R53 VanDerWaalsContact O-CB 3.31Å; R49-R53 WeakPolarHBondContact O-CB 3.33Å; R49-R53 WeakPolarHBondContact O-CD 3.26Å; R49-R53 WeakPolarHBondContact O-CG 3.42Å; R49-R53 PolarHBondContact O-N 3.46Å; R49-R53 VanDerWaalsContact O-N 3.08Å
50R55.8Low57.2Low186 Ų18696.8 Ų96.870%0.70251%0.512SS*.Hα-helixtrans-73.3-44.7-179.4-74.4-175.1-175.9176.41.6112.7Q46 T47 Q48 R53 M54Q46-R50 PolarHBondContact O-N 3.49Å; T47-R50 PolarHBondContact O-N 3.46Å; Q48-R50 VanDerWaalsContact C-N 3.27Å; Q48-R50 PolarHBondContact O-N 3.17Å; R50-R53 PolarHBondContact O-N 2.87Å; R50-M54 PolarHBondContact O-N 3.49Å
51L53.7Low58.9Low133 Ų13396.9 Ų96.970%0.69651%0.507SS*.Hα-helixtrans-67.7-40.1178.7-75165.1000111.8T47 Q48 M54 A55T47-L51 PolarHBondContact O-N 3.03Å; Q48-L51 PolarHBondContact O-N 3.24Å; L51-M54 PolarHBondContact O-N 3.34Å; L51-A55 PolarHBondContact O-N 2.94Å
52V51Low61.2Low54 Ų5492.7 Ų92.733%0.32747%0.472SS..Hα-helixtrans-64.2-42.4176.2172.30000110.5Q48 M54 A55 D56Q48-V52 VanDerWaalsContact O-CB 3.27Å; Q48-V52 WeakPolarHBondContact O-CB 3.45Å; Q48-V52 WeakPolarHBondContact O-CG2 3.25Å; Q48-V52 PolarHBondContact O-N 3.42Å; V52-M54 PolarHBondContact O-N 2.95Å; V52-A55 PolarHBondContact O-N 3.37Å; V52-D56 WeakPolarHBondContact CG1-OD2 3.17Å; V52-D56 VanDerWaalsContact O-CB 3.28Å; V52-D56 WeakPolarHBondContact O-CB 3.41Å; V52-D56 PolarHBondContact O-N 2.97Å
53R51.6Low63.6Low161 Ų16190.7 Ų90.761%0.60846%0.459SS*.Hα-helixtrans-57.9-46174.5-80.3172.5-179.1-157.7-2.7113.2R49 R50 A55 D56 D57R49-R53 VanDerWaalsContact O-CB 3.31Å; R49-R53 WeakPolarHBondContact O-CB 3.33Å; R49-R53 WeakPolarHBondContact O-CD 3.26Å; R49-R53 WeakPolarHBondContact O-CG 3.42Å; R49-R53 PolarHBondContact O-N 3.46Å; R49-R53 VanDerWaalsContact O-N 3.08Å; R50-R53 PolarHBondContact O-N 2.87Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.43Å; R53-D56 PolarHBondContact O-N 2.97Å; R53-D57 WeakPolarHBondContact O-CB 3.4Å; R53-D57 PolarHBondContact O-N 3.18Å; R53-D57 VanDerWaalsContact O-OD2 3.08Å
54M51.1Low66Low147 Ų14788.7 Ų88.772%0.72444%0.443SS*.Hα-helixtrans-65.7-32.1-177.9-65.8-165.484.700113.8R50 L51 V52R50-M54 PolarHBondContact O-N 3.49Å; L51-M54 PolarHBondContact O-N 3.34Å; V52-M54 PolarHBondContact O-N 2.95Å
55A52.8Low67.9Low66 Ų6692.9 Ų92.955%0.54545%0.454SS..Hα-helixtrans-84.6-40177.700000112.4L51 V52 R53 D57 L58L51-A55 PolarHBondContact O-N 2.94Å; V52-A55 PolarHBondContact O-N 3.37Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.43Å; A55-D57 VanDerWaalsContact C-N 3.31Å; A55-L58 PolarHBondContact O-N 3.43Å
56D58.8Low69.8Low34 Ų3487.6 Ų87.618%0.18243%0.426CS..Hα-helixtrans-72.6-24.7178.6-74.8-38000112.2K38 V40 V52 R53 L58 E59K38-D56 IonicContact NZ-OD1 3.39Å; K38-D56 PolarHBondContact NZ-OD1 2.68Å; V40-D56 WeakPolarHBondContact CG2-OD2 3.46Å; V52-D56 WeakPolarHBondContact CG1-OD2 3.17Å; V52-D56 VanDerWaalsContact O-CB 3.28Å; V52-D56 WeakPolarHBondContact O-CB 3.41Å; V52-D56 PolarHBondContact O-N 2.97Å; R53-D56 PolarHBondContact O-N 2.97Å; D56-L58 PolarHBondContact O-N 2.9Å; D56-E59 PolarHBondContact O-N 3.41Å; D56-E59 VanDerWaalsContact O-N 3.1Å
57D64Low71.3Confident70 Ų7084.6 Ų84.637%0.37441%0.414SS..THydrogen-bonded Turntrans-61.6-23.4175.6-82.4-30.2000112.7R53 A55 R91R53-D57 WeakPolarHBondContact O-CB 3.4Å; R53-D57 PolarHBondContact O-N 3.18Å; R53-D57 VanDerWaalsContact O-OD2 3.08Å; A55-D57 VanDerWaalsContact C-N 3.31Å; D57-R91 VanDerWaalsContact CG-NH2 3.3Å; D57-R91 PolarHBondContact O-NH1 3.03Å; D57-R91 VanDerWaalsContact O-NH1 3.16Å; D57-R91 IonicContact OD1-CZ 3.36Å; D57-R91 IonicContact OD1-NH1 3.11Å; D57-R91 PolarHBondContact OD1-NH1 2.88Å; D57-R91 VanDerWaalsContact OD1-NH1 3.09Å; D57-R91 IonicContact OD1-NH2 2.74Å; D57-R91 PolarHBondContact OD1-NH2 3.42Å; D57-R91 IonicContact OD2-NH2 3.91Å
58L70.2Confident72.8Confident124 Ų12483.9 Ų83.965%0.64942%0.418SS*.THydrogen-bonded Turntrans-89.2-16.5177.8-61.9172.1000113.6A55 D56 F60A55-L58 PolarHBondContact O-N 3.43Å; D56-L58 PolarHBondContact O-N 2.9Å; L58-F60 PolarHBondContact O-N 2.72Å
59E84.4Confident74.4Confident79 Ų7979 Ų7937%0.36940%0.399SS..  trans-92.282.6-178-166.2179.5-154.500110.3K38 D56 Y72K38-E59 IonicContact NZ-OE2 3.09Å; K38-E59 PolarHBondContact NZ-OE2 3.22Å; D56-E59 PolarHBondContact O-N 3.41Å; D56-E59 VanDerWaalsContact O-N 3.1Å; E59-Y72 HydrophobicContact CG-CE1 4.33Å; E59-Y72 WeakPolarHBondContact CG-OH 3.42Å; E59-Y72 PolarHBondContact OE1-OH 2.77Å
60F91Very high75.9Confident20 Ų2079.2 Ų79.29%0.08841%0.412CS..EExtended strand (participates in β ladder)trans-138.7155.6173.268.4-88.3000112I35 A36 V37 L58 I62 R91 H95I35-F60 HydrophobicContact CD1-CB 4.41Å; I35-F60 HydrophobicContact CD1-CD2 3.64Å; I35-F60 HydrophobicContact CD1-CE2 4.15Å; I35-F60 HydrophobicContact CD1-CG 4.18Å; I35-F60 HydrophobicContact CG1-CB 4.34Å; I35-F60 HydrophobicContact CG1-CD2 3.97Å; A36-F60 VanDerWaalsContact O-CA 3.31Å; A36-F60 WeakPolarHBondContact O-CA 3.36Å; A36-F60 WeakPolarHBondContact O-CB 3.48Å; V37-F60 HydrophobicContact CG1-CB 4.22Å; L58-F60 PolarHBondContact O-N 2.72Å; F60-I62 HydrophobicContact CD2-CG2 4.12Å; F60-I62 HydrophobicContact CE2-CG2 4.17Å; F60-R91 HydrophobicContact CD2-CB 4.4Å; F60-R91 HydrophobicContact CE1-CB 4.03Å; F60-R91 HydrophobicContact CE1-CG 4.21Å; F60-R91 HydrophobicContact CE2-CB 3.9Å; F60-R91 WeakPolarHBondContact CE2-O 3.13Å; F60-R91 HydrophobicContact CZ-CB 3.7Å; F60-R91 HydrophobicContact CZ-CG 4.34Å; F60-R91 VanDerWaalsContact CZ-O 3.24Å; F60-R91 WeakPolarHBondContact CZ-O 3.48Å; F60-H95 HydrophobicContact CE2-CB 3.76Å; F60-H95 HydrophobicContact CZ-CB 4.26Å
61F93.4Very high77.2Confident68 Ų6877.9 Ų77.930%0.29842%0.419SS..EExtended strand (participates in β ladder)trans-121.6154.3174.2-58.5-86.7000109.5I35 A36 E65 A66 A69 Y72I35-F61 CarbonylContact C-O 3.58Å; I35-F61 WeakPolarHBondContact CA-O 3.42Å; A36-F61 HydrophobicContact CB-CB 4.34Å; A36-F61 PolarHBondContact N-O 2.95Å; A36-F61 PolarHBondContact O-N 2.85Å; A36-F61 VanDerWaalsContact O-N 3.13Å; F61-E65 HydrophobicContact CB-CB 4.12Å; F61-E65 HydrophobicContact CD1-CB 4.23Å; F61-A66 HydrophobicContact CB-CB 4.35Å; F61-A66 WeakPolarHBondContact O-CB 3.15Å; F61-A69 HydrophobicContact CD2-CB 4.36Å; F61-Y72 HydrophobicContact CD2-CE1 4.17Å; F61-Y72 HydrophobicContact CD2-CE2 4.42Å; F61-Y72 HydrophobicContact CE2-CE1 4.04Å; F61-Y72 HydrophobicContact CE2-CE2 4.01Å; F61-Y72 AromaticContact CE2-CZ 3.63Å
62I95.3Very high78.9Confident6 Ų673.9 Ų73.93%0.03140%0.395CS..EExtended strand (participates in β ladder)trans-124.3167.317369.1167.2000111I31 A34 I35 F60 E65 A66 F92 H95 C96I31-I62 HydrophobicContact CD1-CD1 3.56Å; I31-I62 HydrophobicContact CD1-CG1 4.23Å; A34-I62 CarbonylContact O-C 3.59Å; A34-I62 VanDerWaalsContact O-CA 3.3Å; A34-I62 WeakPolarHBondContact O-CA 3.38Å; I35-I62 HydrophobicContact CB-CG2 4.24Å; I35-I62 HydrophobicContact CD1-CG2 4.31Å; I35-I62 HydrophobicContact CG1-CG2 4.01Å; F60-I62 HydrophobicContact CD2-CG2 4.12Å; F60-I62 HydrophobicContact CE2-CG2 4.17Å; I62-E65 PolarHBondContact O-N 2.88Å; I62-A66 PolarHBondContact O-N 3.3Å; I62-F92 HydrophobicContact CB-CD2 3.81Å; I62-F92 HydrophobicContact CB-CE2 3.83Å; I62-F92 HydrophobicContact CD1-CD2 4.22Å; I62-F92 HydrophobicContact CD1-CE2 4.07Å; I62-F92 HydrophobicContact CD1-CZ 4.29Å; I62-F92 HydrophobicContact CG1-CE2 4.49Å; I62-F92 HydrophobicContact CG2-CB 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.62Å; I62-F92 HydrophobicContact CG2-CE2 4.18Å; I62-F92 HydrophobicContact CG2-CG 4.3Å; I62-H95 HydrophobicContact CD1-CB 3.81Å; I62-H95 HydrophobicContact CG1-CB 4.13Å; I62-H95 VanDerWaalsContact CG1-CD2 3.43Å; I62-H95 WeakPolarHBondContact CG1-CD2 3.45Å; I62-H95 HydrophobicContact CG2-CB 4.21Å; I62-C96 VanDerWaalsContact CD1-SG 3.57Å
63G94.1Very high80.8Confident2 Ų272.3 Ų72.32%0.02139%0.388CS..Hα-helixtrans65.5-139.8170.800000113.8P32 A34 E65 A66 L67P32-G63 WeakPolarHBondContact O-CA 3.38Å; A34-G63 PolarHBondContact O-N 2.95Å; G63-E65 VanDerWaalsContact C-N 3.28Å; G63-E65 PolarHBondContact O-N 3.24Å; G63-A66 WeakPolarHBondContact O-CB 3.16Å; G63-A66 PolarHBondContact O-N 3.13Å; G63-L67 PolarHBondContact O-N 3.28Å
64D92.4Very high82.7Confident104 Ų10467.9 Ų67.956%0.55638%0.375SS*.Hα-helixtrans-66.4-31.6-178.7-64.3-47.8000112P32 A66 L67 A68P32-D64 WeakPolarHBondContact CD-OD1 3.13Å; P32-D64 VanDerWaalsContact CG-OD1 3.29Å; P32-D64 WeakPolarHBondContact CG-OD1 3.18Å; D64-A66 VanDerWaalsContact C-N 3.32Å; D64-A66 PolarHBondContact O-N 2.92Å; D64-L67 PolarHBondContact O-N 2.92Å; D64-A68 WeakPolarHBondContact O-CB 3.32Å; D64-A68 PolarHBondContact O-N 3.2Å
65E92.8Very high84.8Confident117 Ų11764.6 Ų64.655%0.54736%0.357SS..Hα-helixtrans-63.8-39.6174-64.4-175.4-172.600111.1F61 I62 G63 L67 A68 A69F61-E65 HydrophobicContact CB-CB 4.12Å; F61-E65 HydrophobicContact CD1-CB 4.23Å; I62-E65 PolarHBondContact O-N 2.88Å; G63-E65 VanDerWaalsContact C-N 3.28Å; G63-E65 PolarHBondContact O-N 3.24Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 2.92Å; E65-A68 PolarHBondContact O-N 3.47Å; E65-A69 WeakPolarHBondContact O-CB 3.05Å; E65-A69 PolarHBondContact O-N 2.85Å
66A92.9Very high86.8Confident0 Ų066.6 Ų66.60%035%0.351CS..Hα-helixtrans-62.5-40.1173.900000112.7A36 F61 I62 G63 D64 A68 A69A36-A66 HydrophobicContact CB-CB 3.58Å; F61-A66 HydrophobicContact CB-CB 4.35Å; F61-A66 WeakPolarHBondContact O-CB 3.15Å; I62-A66 PolarHBondContact O-N 3.3Å; G63-A66 WeakPolarHBondContact O-CB 3.16Å; G63-A66 PolarHBondContact O-N 3.13Å; D64-A66 VanDerWaalsContact C-N 3.32Å; D64-A66 PolarHBondContact O-N 2.92Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A69 WeakPolarHBondContact O-CB 3.17Å; A66-A69 PolarHBondContact O-N 2.97Å
67L88.8Confident88.6Confident81 Ų8165 Ų6542%0.42434%0.343SS..Hα-helixtrans-71.6-26.9178.8-62.9-176.8000112.8P32 A34 G63 D64 E65 I74P32-L67 HydrophobicContact CB-CD1 3.97Å; P32-L67 HydrophobicContact CB-CG 4.49Å; P32-L67 HydrophobicContact CG-CD1 3.73Å; A34-L67 HydrophobicContact CB-CD2 4.21Å; G63-L67 PolarHBondContact O-N 3.28Å; D64-L67 PolarHBondContact O-N 2.92Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 2.92Å; L67-I74 HydrophobicContact CD2-CD1 4.17Å; L67-I74 HydrophobicContact CD2-CG2 4.1Å
68A88.1Confident90Very high78 Ų7861.9 Ų61.965%0.64533%0.326SS*.Hα-helixtrans-87.6-12.1176.100000113.6D64 E65 A66 T70D64-A68 WeakPolarHBondContact O-CB 3.32Å; D64-A68 PolarHBondContact O-N 3.2Å; E65-A68 PolarHBondContact O-N 3.47Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A68-T70 PolarHBondContact O-N 2.92Å
69A87.6Confident91Very high24 Ų2462.6 Ų62.620%0.19832%0.32CS..  trans-67.2122.1-17400000112.2A36 F61 E65 A66 Y72A36-A69 HydrophobicContact CB-CB 3.98Å; F61-A69 HydrophobicContact CD2-CB 4.36Å; E65-A69 WeakPolarHBondContact O-CB 3.05Å; E65-A69 PolarHBondContact O-N 2.85Å; A66-A69 WeakPolarHBondContact O-CB 3.17Å; A66-A69 PolarHBondContact O-N 2.97Å; A69-Y72 HydrophobicContact CB-CD2 3.69Å; A69-Y72 HydrophobicContact CB-CE2 4.45Å; A69-Y72 HydrophobicContact CB-CG 4.04Å
70T83Confident91.1Very high109 Ų10964.8 Ų64.867%0.66933%0.33SS*.THydrogen-bonded Turntrans-88.5139.2174.157.60000110.9A68 Y72A68-T70 PolarHBondContact O-N 2.92Å; T70-Y72 VanDerWaalsContact C-N 3.33Å; T70-Y72 WeakPolarHBondContact O-CD2 3.39Å
71N85Confident90.9Very high159 Ų15964.6 Ų64.685%0.8533%0.333SS*.THydrogen-bonded Turntrans69.421.3-177.9-48.8-45000115.4
72Y89Confident90.8Very high49 Ų4964 Ų6419%0.19234%0.335CS..  trans-114.7151.9172.6-68.9-100000110.8A36 K38 E59 F61 A69 T70A36-Y72 HydrophobicContact CB-CD1 4.42Å; A36-Y72 HydrophobicContact CB-CG 4.25Å; K38-Y72 HydrophobicContact CB-CD1 4.29Å; K38-Y72 HydrophobicContact CB-CE1 4.16Å; E59-Y72 HydrophobicContact CG-CE1 4.33Å; E59-Y72 WeakPolarHBondContact CG-OH 3.42Å; E59-Y72 PolarHBondContact OE1-OH 2.77Å; F61-Y72 HydrophobicContact CD2-CE1 4.17Å; F61-Y72 HydrophobicContact CD2-CE2 4.42Å; F61-Y72 HydrophobicContact CE2-CE1 4.04Å; F61-Y72 HydrophobicContact CE2-CE2 4.01Å; F61-Y72 AromaticContact CE2-CZ 3.63Å; A69-Y72 HydrophobicContact CB-CD2 3.69Å; A69-Y72 HydrophobicContact CB-CE2 4.45Å; A69-Y72 HydrophobicContact CB-CG 4.04Å; T70-Y72 VanDerWaalsContact C-N 3.33Å; T70-Y72 WeakPolarHBondContact O-CD2 3.39Å
73A90.4Very high90.8Very high21 Ų2164.8 Ų64.817%0.17434%0.339CS..EExtended strand (participates in β ladder)trans-89.1119.1168.300000109.3V37 E39V37-A73 PolarHBondContact N-O 3.06Å; V37-A73 PolarHBondContact O-N 3.04Å; E39-A73 HydrophobicContact CB-CB 4.42Å; E39-A73 VanDerWaalsContact CD-CB 3.46Å; E39-A73 HydrophobicContact CG-CB 3.57Å
74I92.4Very high90.8Very high67 Ų6770 Ų7034%0.34436%0.363SS..EExtended strand (participates in β ladder)trans-81.1121.5176.7-57.3168.9000108.7A34 L67 Y76A34-I74 HydrophobicContact CB-CG2 4.1Å; L67-I74 HydrophobicContact CD2-CD1 4.17Å; L67-I74 HydrophobicContact CD2-CG2 4.1Å; I74-Y76 HydrophobicContact CG2-CE2 3.89Å
75K94.3Very high91Very high79 Ų7968 Ų6834%0.34335%0.352SS..EExtended strand (participates in β ladder)trans-116.2152.5178.2-54.9-96.1174176.30109.1A34 I35 V37 E39 L88A34-K75 WeakPolarHBondContact CA-O 3.3Å; I35-K75 HydrophobicContact CG2-CB 4Å; I35-K75 PolarHBondContact N-O 2.96Å; I35-K75 PolarHBondContact O-N 2.9Å; V37-K75 HydrophobicContact CG2-CG 3.86Å; E39-K75 WeakPolarHBondContact OE1-CE 3.42Å; E39-K75 IonicContact OE1-NZ 3.46Å; E39-K75 PolarHBondContact OE1-NZ 3.33Å; K75-L88 HydrophobicContact CB-CD1 3.54Å; K75-L88 HydrophobicContact CD-CD1 4.31Å; K75-L88 HydrophobicContact CG-CD1 3.93Å
76Y94.6Very high91.2Very high108 Ų10864.8 Ų64.842%0.42434%0.335SS..  trans-123102.6178-63.4-91.3000107.7A34 I74 I78A34-Y76 HydrophobicContact CB-CD1 3.98Å; A34-Y76 HydrophobicContact CB-CE1 3.67Å; I74-Y76 HydrophobicContact CG2-CE2 3.89Å; Y76-I78 PolarHBondContact O-N 2.98Å
77P96Very high91.2Very high1 Ų170.2 Ų70.21%0.00636%0.364CS..SBendtrans-70.4-19-17426.6-33.2000112.9E84 D85 L88 M89P77-E84 PolarHBondContact O-N 3.33Å; P77-D85 HydrophobicContact CB-CB 4.49Å; P77-D85 PolarHBondContact O-N 2.76Å; P77-L88 HydrophobicContact CB-CB 4.02Å; P77-M89 HydrophobicContact CB-CB 4.41Å; P77-M89 HydrophobicContact CB-SD 4.2Å; P77-M89 HydrophobicContact CG-SD 4.02Å
78I94.7Very high91.5Very high4 Ų467.2 Ų67.22%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-110.1125.6-179.2-56.9168.7000109.2N12 Y76 V82 I83 M89N12-I78 HydrophobicContact CB-CD1 3.7Å; Y76-I78 PolarHBondContact O-N 2.98Å; I78-V82 CarbonylContact C-O 3.53Å; I78-V82 WeakPolarHBondContact CA-O 3.44Å; I78-I83 HydrophobicContact CG1-CG1 4.13Å; I78-M89 HydrophobicContact CD1-CE 4.27Å; I78-M89 HydrophobicContact CD1-SD 3.96Å; I78-M89 HydrophobicContact CG1-SD 3.95Å
79R90.9Very high92Very high139 Ų13963.5 Ų63.553%0.52532%0.318SS..EExtended strand (participates in β ladder)trans-126.2134.4171.4-59.9-158.5-174160.3-7.1110.4G81 V82 E84R79-G81 PolarHBondContact O-N 3.4Å; R79-V82 PolarHBondContact N-O 3.23Å; R79-V82 PolarHBondContact O-N 2.91Å; R79-V82 VanDerWaalsContact O-O 3.13Å; R79-E84 HydrophobicContact CB-CG 4.12Å; R79-E84 WeakPolarHBondContact CB-OE1 3.42Å; R79-E84 WeakPolarHBondContact CD-OE2 3.48Å; R79-E84 HydrophobicContact CG-CG 4.31Å; R79-E84 WeakPolarHBondContact CG-OE2 3.48Å; R79-E84 IonicContact CZ-OE2 2.69Å; R79-E84 IonicContact NE-OE2 2.76Å; R79-E84 PolarHBondContact NE-OE2 3.06Å; R79-E84 IonicContact NH1-OE2 3.71Å; R79-E84 PolarHBondContact NH1-OE2 3.49Å
80H86.5Confident92.4Very high125 Ų12565.1 Ų65.158%0.57932%0.321SS*.THydrogen-bonded Turntrans50.730.5-179.6-57.3-70.1000114.5G173 V174H80-G173 PolarHBondContact ND1-O 3Å; H80-V174 HydrophobicContact CB-CG2 3.58Å
81G87.3Confident93Very high15 Ų1562.8 Ų62.816%0.15530%0.3CS..THydrogen-bonded Turntrans88.4-6-179.600000115T14 R79 P115T14-G81 PolarHBondContact OG1-N 3.27Å; R79-G81 PolarHBondContact O-N 3.4Å; G81-P115 VanDerWaalsContact O-CG 3.31Å; G81-P115 WeakPolarHBondContact O-CG 3.37Å
82V91.6Very high93.5Very high56 Ų5655.3 Ų55.334%0.33926%0.26SS..EExtended strand (participates in β ladder)trans-107.3140.2-178.5-176.10000109.9I78 R79 E84I78-V82 CarbonylContact C-O 3.53Å; I78-V82 WeakPolarHBondContact CA-O 3.44Å; R79-V82 PolarHBondContact N-O 3.23Å; R79-V82 PolarHBondContact O-N 2.91Å; R79-V82 VanDerWaalsContact O-O 3.13Å; V82-E84 PolarHBondContact O-N 3.29Å
83I95.2Very high93.9Very high23 Ų2353 Ų5312%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-73.1118.8172.8-61.2161.1000107.9I78 W86 M89 W93I78-I83 HydrophobicContact CG1-CG1 4.13Å; I83-W86 HydrophobicContact CB-CH2 4.2Å; I83-W86 HydrophobicContact CB-CZ2 4.11Å; I83-W86 HydrophobicContact CB-CZ3 4.47Å; I83-W86 HydrophobicContact CD1-CE3 4.39Å; I83-W86 HydrophobicContact CD1-CH2 3.75Å; I83-W86 HydrophobicContact CD1-CZ2 4.5Å; I83-W86 HydrophobicContact CD1-CZ3 3.69Å; I83-W86 HydrophobicContact CG2-CD2 3.8Å; I83-W86 HydrophobicContact CG2-CE3 3.94Å; I83-W86 HydrophobicContact CG2-CG 4.25Å; I83-W86 HydrophobicContact CG2-CH2 4.38Å; I83-W86 HydrophobicContact CG2-CZ2 4.24Å; I83-W86 HydrophobicContact CG2-CZ3 4.24Å; I83-M89 HydrophobicContact CD1-CG 3.95Å; I83-M89 HydrophobicContact CD1-SD 4.48Å; I83-M89 HydrophobicContact CG1-CG 4.14Å; I83-M89 HydrophobicContact CG1-SD 4.23Å; I83-M89 HydrophobicContact CG2-CB 3.82Å; I83-M89 HydrophobicContact CG2-CG 4Å; I83-W93 HydrophobicContact CD1-CH2 3.95Å; I83-W93 HydrophobicContact CD1-CZ2 4.19Å
84E94.2Very high94.1Very high111 Ų11155.5 Ų55.552%0.51926%0.259SS..  trans-98.8-29.2176.5-70.6-169.2171.900112.5P77 R79 V82P77-E84 PolarHBondContact O-N 3.33Å; R79-E84 HydrophobicContact CB-CG 4.12Å; R79-E84 WeakPolarHBondContact CB-OE1 3.42Å; R79-E84 WeakPolarHBondContact CD-OE2 3.48Å; R79-E84 HydrophobicContact CG-CG 4.31Å; R79-E84 WeakPolarHBondContact CG-OE2 3.48Å; R79-E84 IonicContact CZ-OE2 2.69Å; R79-E84 IonicContact NE-OE2 2.76Å; R79-E84 PolarHBondContact NE-OE2 3.06Å; R79-E84 IonicContact NH1-OE2 3.71Å; R79-E84 PolarHBondContact NH1-OE2 3.49Å; V82-E84 PolarHBondContact O-N 3.29Å
85D95.5Very high94.3Very high61 Ų6153.7 Ų53.733%0.32625%0.249SC..  trans-124.7100.1-177.3-167.6-36.2000109.7P77 D87 L88 M89P77-D85 HydrophobicContact CB-CB 4.49Å; P77-D85 PolarHBondContact O-N 2.76Å; D85-D87 PolarHBondContact OD1-N 2.95Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 HydrophobicContact CB-CD1 4.18Å; D85-L88 HydrophobicContact CB-CG 4.32Å; D85-L88 VanDerWaalsContact CG-CG 3.47Å; D85-L88 WeakPolarHBondContact OD1-CG 3.43Å; D85-L88 PolarHBondContact OD1-N 2.75Å; D85-L88 VanDerWaalsContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.42Å; D85-L88 WeakPolarHBondContact OD2-CG 3.27Å; D85-M89 WeakPolarHBondContact O-CB 3.18Å; D85-M89 PolarHBondContact O-N 3.27Å
86W96.1Very high94.4Very high51 Ų5149.9 Ų49.919%0.19323%0.233CC..Hα-helixtrans-72.4-36.4-175.4-7097.8000112.7I83 L88 M89 E90 W93 N122 Y125 I126 I129I83-W86 HydrophobicContact CB-CH2 4.2Å; I83-W86 HydrophobicContact CB-CZ2 4.11Å; I83-W86 HydrophobicContact CB-CZ3 4.47Å; I83-W86 HydrophobicContact CD1-CE3 4.39Å; I83-W86 HydrophobicContact CD1-CH2 3.75Å; I83-W86 HydrophobicContact CD1-CZ2 4.5Å; I83-W86 HydrophobicContact CD1-CZ3 3.69Å; I83-W86 HydrophobicContact CG2-CD2 3.8Å; I83-W86 HydrophobicContact CG2-CE3 3.94Å; I83-W86 HydrophobicContact CG2-CG 4.25Å; I83-W86 HydrophobicContact CG2-CH2 4.38Å; I83-W86 HydrophobicContact CG2-CZ2 4.24Å; I83-W86 HydrophobicContact CG2-CZ3 4.24Å; W86-L88 VanDerWaalsContact C-N 3.34Å; W86-L88 PolarHBondContact O-N 3.35Å; W86-M89 PolarHBondContact O-N 2.97Å; W86-M89 VanDerWaalsContact O-N 3.15Å; W86-E90 PolarHBondContact O-N 3.42Å; W86-W93 HydrophobicContact CZ3-CH2 4.5Å; W86-N122 HydrophobicContact CH2-CB 4.07Å; W86-N122 WeakPolarHBondContact CH2-O 3.28Å; W86-N122 HydrophobicContact CZ2-CB 3.89Å; W86-Y125 HydrophobicContact CD2-CG 4.44Å; W86-Y125 AromaticContact CE2-CD2 3.82Å; W86-Y125 HydrophobicContact CH2-CD2 4.49Å; W86-Y125 AromaticContact CZ2-CD2 3.82Å; W86-Y125 HydrophobicContact CZ2-CD2 3.82Å; W86-Y125 HydrophobicContact CZ2-CG 4.24Å; W86-Y125 AromaticContact NE1-CD2 3.96Å; W86-I126 HydrophobicContact CH2-CG1 3.84Å; W86-I126 HydrophobicContact CZ3-CG1 3.78Å; W86-I129 HydrophobicContact CE3-CD1 3.76Å; W86-I129 HydrophobicContact CZ3-CD1 4.36Å
87D94.7Very high94.4Very high114 Ų11444.8 Ų44.861%0.6121%0.213SC*.Hα-helixtrans-62.5-44177.4-64.7-14.8000110.4D85 R91D85-D87 PolarHBondContact OD1-N 2.95Å; D87-R91 WeakPolarHBondContact O-CG 3.2Å; D87-R91 PolarHBondContact O-N 3.46Å
88L95.4Very high94.4Very high17 Ų1748.8 Ų48.89%0.08923%0.23CC..Hα-helixtrans-69.3-33.5175.1-70.1-174.1000112.5I35 V37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.23Å; I35-L88 HydrophobicContact CG2-CB 4.13Å; I35-L88 HydrophobicContact CG2-CD1 4.02Å; I35-L88 HydrophobicContact CG2-CD2 4.09Å; I35-L88 HydrophobicContact CG2-CG 4.32Å; V37-L88 HydrophobicContact CG1-CD2 3.79Å; K75-L88 HydrophobicContact CB-CD1 3.54Å; K75-L88 HydrophobicContact CD-CD1 4.31Å; K75-L88 HydrophobicContact CG-CD1 3.93Å; P77-L88 HydrophobicContact CB-CB 4.02Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 HydrophobicContact CB-CD1 4.18Å; D85-L88 HydrophobicContact CB-CG 4.32Å; D85-L88 VanDerWaalsContact CG-CG 3.47Å; D85-L88 WeakPolarHBondContact OD1-CG 3.43Å; D85-L88 PolarHBondContact OD1-N 2.75Å; D85-L88 VanDerWaalsContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.42Å; D85-L88 WeakPolarHBondContact OD2-CG 3.27Å; W86-L88 VanDerWaalsContact C-N 3.34Å; W86-L88 PolarHBondContact O-N 3.35Å; L88-F92 VanDerWaalsContact O-CB 3.3Å; L88-F92 WeakPolarHBondContact O-CB 3.39Å; L88-F92 PolarHBondContact O-N 3.15Å
89M96.7Very high94.4Very high0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-69.3-40.2178.3-164.267.7-140.600112.1N12 P77 I78 I83 D85 W86 F92 W93N12-M89 HydrophobicContact CB-CE 4.38Å; N12-M89 WeakPolarHBondContact OD1-CE 3.38Å; P77-M89 HydrophobicContact CB-CB 4.41Å; P77-M89 HydrophobicContact CB-SD 4.2Å; P77-M89 HydrophobicContact CG-SD 4.02Å; I78-M89 HydrophobicContact CD1-CE 4.27Å; I78-M89 HydrophobicContact CD1-SD 3.96Å; I78-M89 HydrophobicContact CG1-SD 3.95Å; I83-M89 HydrophobicContact CD1-CG 3.95Å; I83-M89 HydrophobicContact CD1-SD 4.48Å; I83-M89 HydrophobicContact CG1-CG 4.14Å; I83-M89 HydrophobicContact CG1-SD 4.23Å; I83-M89 HydrophobicContact CG2-CB 3.82Å; I83-M89 HydrophobicContact CG2-CG 4Å; D85-M89 WeakPolarHBondContact O-CB 3.18Å; D85-M89 PolarHBondContact O-N 3.27Å; W86-M89 PolarHBondContact O-N 2.97Å; W86-M89 VanDerWaalsContact O-N 3.15Å; M89-F92 HydrophobicContact CE-CB 4.45Å; M89-F92 HydrophobicContact CE-CD1 3.65Å; M89-F92 HydrophobicContact CE-CE1 4.31Å; M89-F92 HydrophobicContact CE-CG 4.32Å; M89-F92 WeakPolarHBondContact O-CB 3.24Å; M89-F92 PolarHBondContact O-N 3.09Å; M89-W93 HydrophobicContact CE-CD2 3.98Å; M89-W93 HydrophobicContact CE-CG 4.2Å; M89-W93 HydrophobicContact CE-CZ2 3.62Å; M89-W93 HydrophobicContact CG-CD2 4.21Å; M89-W93 HydrophobicContact CG-CE3 4.21Å; M89-W93 HydrophobicContact CG-CH2 3.76Å; M89-W93 HydrophobicContact CG-CZ2 3.76Å; M89-W93 HydrophobicContact CG-CZ3 4Å; M89-W93 PolarHBondContact O-N 3.43Å; M89-W93 HydrophobicContact SD-CZ2 4.43Å
90E96.6Very high94.5Very high59 Ų5949.4 Ų49.428%0.27624%0.239SC..Hα-helixtrans-60-49.9174.6-179.2171.5-155.700111W86 F92 W93 E94 I129 S133 F134W86-E90 PolarHBondContact O-N 3.42Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 3.5Å; E90-W93 PolarHBondContact O-N 2.87Å; E90-W93 VanDerWaalsContact O-N 3.15Å; E90-E94 PolarHBondContact O-N 2.84Å; E90-I129 HydrophobicContact CB-CD1 4.2Å; E90-I129 HydrophobicContact CB-CG1 4.49Å; E90-I129 HydrophobicContact CB-CG2 4.21Å; E90-I129 HydrophobicContact CG-CG2 3.85Å; E90-S133 WeakPolarHBondContact OE1-CB 3.45Å; E90-S133 PolarHBondContact OE1-OG 3.39Å; E90-F134 HydrophobicContact CG-CZ 4.34Å
91R95.1Very high94.9Very high60 Ų6044 Ų4423%0.22621%0.214CC..Hα-helixtrans-58.6-40.4173.8-68.2-179.4-162-1573.6112.2I35 D57 F60 D87 W93 E94 H95I35-R91 HydrophobicContact CD1-CB 3.8Å; D57-R91 VanDerWaalsContact CG-NH2 3.3Å; D57-R91 PolarHBondContact O-NH1 3.03Å; D57-R91 VanDerWaalsContact O-NH1 3.16Å; D57-R91 IonicContact OD1-CZ 3.36Å; D57-R91 IonicContact OD1-NH1 3.11Å; D57-R91 PolarHBondContact OD1-NH1 2.88Å; D57-R91 VanDerWaalsContact OD1-NH1 3.09Å; D57-R91 IonicContact OD1-NH2 2.74Å; D57-R91 PolarHBondContact OD1-NH2 3.42Å; D57-R91 IonicContact OD2-NH2 3.91Å; F60-R91 HydrophobicContact CD2-CB 4.4Å; F60-R91 HydrophobicContact CE1-CB 4.03Å; F60-R91 HydrophobicContact CE1-CG 4.21Å; F60-R91 HydrophobicContact CE2-CB 3.9Å; F60-R91 WeakPolarHBondContact CE2-O 3.13Å; F60-R91 HydrophobicContact CZ-CB 3.7Å; F60-R91 HydrophobicContact CZ-CG 4.34Å; F60-R91 VanDerWaalsContact CZ-O 3.24Å; F60-R91 WeakPolarHBondContact CZ-O 3.48Å; D87-R91 WeakPolarHBondContact O-CG 3.2Å; D87-R91 PolarHBondContact O-N 3.46Å; R91-W93 PolarHBondContact O-N 3.21Å; R91-E94 WeakPolarHBondContact O-CB 3.39Å; R91-E94 PolarHBondContact O-N 3.37Å; R91-H95 PolarHBondContact O-N 2.7Å; R91-H95 VanDerWaalsContact O-N 3.14Å
92F96.5Very high95.3Very high1 Ų150.6 Ų50.60%0.00424%0.24CC..Hα-helixtrans-60.7-45176.9-175.6-84.8000111.5S17 I31 I62 L88 M89 E90 H95 C96S17-F92 WeakPolarHBondContact OG-CE1 3.47Å; I31-F92 HydrophobicContact CD1-CE1 4.42Å; I31-F92 HydrophobicContact CD1-CE2 4.37Å; I31-F92 HydrophobicContact CD1-CZ 3.75Å; I31-F92 HydrophobicContact CG1-CZ 4.18Å; I62-F92 HydrophobicContact CB-CD2 3.81Å; I62-F92 HydrophobicContact CB-CE2 3.83Å; I62-F92 HydrophobicContact CD1-CD2 4.22Å; I62-F92 HydrophobicContact CD1-CE2 4.07Å; I62-F92 HydrophobicContact CD1-CZ 4.29Å; I62-F92 HydrophobicContact CG1-CE2 4.49Å; I62-F92 HydrophobicContact CG2-CB 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.62Å; I62-F92 HydrophobicContact CG2-CE2 4.18Å; I62-F92 HydrophobicContact CG2-CG 4.3Å; L88-F92 VanDerWaalsContact O-CB 3.3Å; L88-F92 WeakPolarHBondContact O-CB 3.39Å; L88-F92 PolarHBondContact O-N 3.15Å; M89-F92 HydrophobicContact CE-CB 4.45Å; M89-F92 HydrophobicContact CE-CD1 3.65Å; M89-F92 HydrophobicContact CE-CE1 4.31Å; M89-F92 HydrophobicContact CE-CG 4.32Å; M89-F92 WeakPolarHBondContact O-CB 3.24Å; M89-F92 PolarHBondContact O-N 3.09Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 3.5Å; F92-H95 PolarHBondContact O-N 3.02Å; F92-C96 WeakPolarHBondContact CE1-SG 3.34Å; F92-C96 PolarHBondContact O-N 2.94Å; F92-C96 PolarHBondContact O-SG 3.26Å
93W97.4Very high95.5Very high2 Ų248.2 Ų48.21%0.00823%0.227CC..Hα-helixtrans-67.9-38.2175.9-73.6-33000113.3N12 I83 W86 M89 E90 R91 H95 C96 I97 L112 I126 I129 F134N12-W93 PolarHBondContact ND2-NE1 2.74Å; N12-W93 VanDerWaalsContact ND2-NE1 3.18Å; N12-W93 PolarHBondContact OD1-NE1 3.27Å; I83-W93 HydrophobicContact CD1-CH2 3.95Å; I83-W93 HydrophobicContact CD1-CZ2 4.19Å; W86-W93 HydrophobicContact CZ3-CH2 4.5Å; M89-W93 HydrophobicContact CE-CD2 3.98Å; M89-W93 HydrophobicContact CE-CG 4.2Å; M89-W93 HydrophobicContact CE-CZ2 3.62Å; M89-W93 HydrophobicContact CG-CD2 4.21Å; M89-W93 HydrophobicContact CG-CE3 4.21Å; M89-W93 HydrophobicContact CG-CH2 3.76Å; M89-W93 HydrophobicContact CG-CZ2 3.76Å; M89-W93 HydrophobicContact CG-CZ3 4Å; M89-W93 PolarHBondContact O-N 3.43Å; M89-W93 HydrophobicContact SD-CZ2 4.43Å; E90-W93 PolarHBondContact O-N 2.87Å; E90-W93 VanDerWaalsContact O-N 3.15Å; R91-W93 PolarHBondContact O-N 3.21Å; W93-H95 VanDerWaalsContact C-N 3.29Å; W93-H95 PolarHBondContact O-N 2.92Å; W93-C96 WeakPolarHBondContact O-CB 3.46Å; W93-C96 PolarHBondContact O-N 2.7Å; W93-C96 VanDerWaalsContact O-N 3.12Å; W93-I97 HydrophobicContact CB-CD1 4.5Å; W93-I97 WeakPolarHBondContact O-CB 3.43Å; W93-I97 VanDerWaalsContact O-CG1 3.27Å; W93-I97 WeakPolarHBondContact O-CG1 3.19Å; W93-I97 PolarHBondContact O-N 2.76Å; W93-L112 HydrophobicContact CZ2-CD1 4.43Å; W93-I126 HydrophobicContact CH2-CG1 4.12Å; W93-I129 HydrophobicContact CE3-CD1 4.49Å; W93-I129 HydrophobicContact CE3-CG2 3.83Å; W93-I129 HydrophobicContact CZ3-CB 4.33Å; W93-I129 HydrophobicContact CZ3-CD1 3.88Å; W93-I129 HydrophobicContact CZ3-CG2 4.06Å; W93-F134 HydrophobicContact CB-CE2 3.74Å; W93-F134 HydrophobicContact CB-CZ 3.98Å
94E95.4Very high95.5Very high73 Ų7351.8 Ų51.834%0.34124%0.243SC..Hα-helixtrans-53.1-50.6174.8-175.9-172.6172.300110.3E90 R91 I97 F98 F134E90-E94 PolarHBondContact O-N 2.84Å; R91-E94 WeakPolarHBondContact O-CB 3.39Å; R91-E94 PolarHBondContact O-N 3.37Å; E94-I97 PolarHBondContact O-N 3.42Å; E94-F98 HydrophobicContact CG-CD2 3.73Å; E94-F98 HydrophobicContact CG-CE2 4.02Å; E94-F98 VanDerWaalsContact O-CD2 3.24Å; E94-F98 WeakPolarHBondContact O-CD2 3.42Å; E94-F98 PolarHBondContact O-N 3.4Å; E94-F134 HydrophobicContact CB-CE1 3.93Å; E94-F134 HydrophobicContact CB-CZ 4.02Å; E94-F134 HydrophobicContact CG-CE1 4.35Å
95H94.7Very high95.7Very high28 Ų2846.7 Ų46.713%0.1322%0.22CC..Hα-helixtrans-67.1-39.5178.4-165.4117000112F60 I62 R91 F92 W93 I97 K99 C100F60-H95 HydrophobicContact CE2-CB 3.76Å; F60-H95 HydrophobicContact CZ-CB 4.26Å; I62-H95 HydrophobicContact CD1-CB 3.81Å; I62-H95 HydrophobicContact CG1-CB 4.13Å; I62-H95 VanDerWaalsContact CG1-CD2 3.43Å; I62-H95 WeakPolarHBondContact CG1-CD2 3.45Å; I62-H95 HydrophobicContact CG2-CB 4.21Å; R91-H95 PolarHBondContact O-N 2.7Å; R91-H95 VanDerWaalsContact O-N 3.14Å; F92-H95 PolarHBondContact O-N 3.02Å; W93-H95 VanDerWaalsContact C-N 3.29Å; W93-H95 PolarHBondContact O-N 2.92Å; H95-I97 VanDerWaalsContact C-N 3.33Å; H95-I97 PolarHBondContact O-N 3.24Å; H95-K99 VanDerWaalsContact CD2-CB 3.5Å; H95-K99 WeakPolarHBondContact CD2-CB 3.4Å; H95-K99 WeakPolarHBondContact O-CA 3.38Å; H95-K99 VanDerWaalsContact O-CB 3.25Å; H95-K99 WeakPolarHBondContact O-CB 3.48Å; H95-K99 PolarHBondContact O-N 2.89Å; H95-C100 PolarHBondContact O-N 3.23Å; H95-C100 VanDerWaalsContact O-N 3.12Å
96C96.3Very high95.7Very high0 Ų048.4 Ų48.40%023%0.225CC..Iπ-helixtrans-58-44174.4-68.80000112.5L19 I62 F92 W93 C100 L101L19-C96 HydrophobicContact CD2-CB 4.43Å; I62-C96 VanDerWaalsContact CD1-SG 3.57Å; F92-C96 WeakPolarHBondContact CE1-SG 3.34Å; F92-C96 PolarHBondContact O-N 2.94Å; F92-C96 PolarHBondContact O-SG 3.26Å; W93-C96 WeakPolarHBondContact O-CB 3.46Å; W93-C96 PolarHBondContact O-N 2.7Å; W93-C96 VanDerWaalsContact O-N 3.12Å; C96-C100 WeakPolarHBondContact O-CB 3.2Å; C96-C100 PolarHBondContact O-N 2.98Å; C96-L101 WeakPolarHBondContact O-CG 3.21Å; C96-L101 PolarHBondContact O-N 3.02Å
97I96.5Very high95.7Very high0 Ų050.9 Ų50.90%024%0.242CC..Iπ-helixtrans-73.6-55.5-175.4-67165.6000110.5W93 E94 H95 H102 A103 P105 F110 F134W93-I97 HydrophobicContact CB-CD1 4.5Å; W93-I97 WeakPolarHBondContact O-CB 3.43Å; W93-I97 VanDerWaalsContact O-CG1 3.27Å; W93-I97 WeakPolarHBondContact O-CG1 3.19Å; W93-I97 PolarHBondContact O-N 2.76Å; E94-I97 PolarHBondContact O-N 3.42Å; H95-I97 VanDerWaalsContact C-N 3.33Å; H95-I97 PolarHBondContact O-N 3.24Å; I97-H102 PolarHBondContact O-N 3.33Å; I97-H102 VanDerWaalsContact O-N 3.16Å; I97-A103 PolarHBondContact O-N 3.2Å; I97-A103 VanDerWaalsContact O-N 3.15Å; I97-P105 HydrophobicContact CG2-CB 4.05Å; I97-P105 HydrophobicContact CG2-CG 4.18Å; I97-F110 HydrophobicContact CD1-CE1 4.03Å; I97-F110 HydrophobicContact CD1-CZ 4.12Å; I97-F110 HydrophobicContact CG1-CE1 4.03Å; I97-F110 HydrophobicContact CG1-CZ 4.21Å; I97-F134 HydrophobicContact CD1-CD1 4.19Å; I97-F134 HydrophobicContact CD1-CD2 3.85Å; I97-F134 HydrophobicContact CD1-CE1 4.37Å; I97-F134 HydrophobicContact CD1-CE2 4.02Å; I97-F134 HydrophobicContact CD1-CG 3.95Å; I97-F134 HydrophobicContact CD1-CZ 4.29Å
98F95.6Very high95.8Very high85 Ų8546 Ų4637%0.37322%0.216SC..Iπ-helixtrans-84.1-35.2-170.6-64.7-68.7000113.5E94 H102 P105 F134E94-F98 HydrophobicContact CG-CD2 3.73Å; E94-F98 HydrophobicContact CG-CE2 4.02Å; E94-F98 VanDerWaalsContact O-CD2 3.24Å; E94-F98 WeakPolarHBondContact O-CD2 3.42Å; E94-F98 PolarHBondContact O-N 3.4Å; F98-H102 PolarHBondContact O-ND1 3.35Å; F98-P105 HydrophobicContact CE1-CG 4.1Å; F98-P105 HydrophobicContact CZ-CG 3.84Å; F98-F134 HydrophobicContact CE2-CD1 4.24Å; F98-F134 HydrophobicContact CE2-CE1 4.26Å
99K93.5Very high95.9Very high137 Ų13746.7 Ų46.760%0.59622%0.218SC*.Iπ-helixtrans-97.4-41.4-175.6-63.4-72.4-173.5175.40113.4H95 H102H95-K99 VanDerWaalsContact CD2-CB 3.5Å; H95-K99 WeakPolarHBondContact CD2-CB 3.4Å; H95-K99 WeakPolarHBondContact O-CA 3.38Å; H95-K99 VanDerWaalsContact O-CB 3.25Å; H95-K99 WeakPolarHBondContact O-CB 3.48Å; H95-K99 PolarHBondContact O-N 2.89Å; K99-H102 PolarHBondContact O-CE1 2.71Å; K99-H102 PolarHBondContact O-ND1 2.69Å; K99-H102 PolarHBondContact O-NE2 3.28Å
100C94Very high96Very high19 Ų1946.7 Ų46.713%0.12822%0.218CC..Iπ-helixtrans-83.7-56.3179.7-53.10000111.5L19 F29 H95 C96L19-C100 HydrophobicContact CD1-CB 3.74Å; F29-C100 HydrophobicContact CD2-CB 4.15Å; F29-C100 HydrophobicContact CE2-CB 4.15Å; F29-C100 WeakPolarHBondContact CE2-O 3.24Å; F29-C100 HydrophobicContact CG-CB 4.36Å; F29-C100 HydrophobicContact CZ-CB 4.35Å; F29-C100 WeakPolarHBondContact CZ-O 3.41Å; H95-C100 PolarHBondContact O-N 3.23Å; H95-C100 VanDerWaalsContact O-N 3.12Å; C96-C100 WeakPolarHBondContact O-CB 3.2Å; C96-C100 PolarHBondContact O-N 2.98Å
101L95.5Very high96.1Very high11 Ų1143.9 Ų43.96%0.05821%0.205CC..SBendtrans-81.4-17.7-175.2-67.4172.9000114I8 L19 F21 F29 C96 A103I8-L101 HydrophobicContact CD1-CD1 4.22Å; I8-L101 HydrophobicContact CG1-CD1 4.3Å; I8-L101 HydrophobicContact CG2-CD1 3.45Å; I8-L101 VanDerWaalsContact CG2-CD1 3.45Å; L19-L101 HydrophobicContact CD1-CD1 4.15Å; L19-L101 HydrophobicContact CD1-CD2 3.65Å; L19-L101 HydrophobicContact CD1-CG 3.6Å; F21-L101 HydrophobicContact CD2-CD2 4.45Å; F21-L101 HydrophobicContact CE2-CD2 4.03Å; F21-L101 HydrophobicContact CZ-CB 4.31Å; F21-L101 HydrophobicContact CZ-CD2 4.4Å; F29-L101 HydrophobicContact CD2-CD2 4.41Å; F29-L101 HydrophobicContact CE2-CD2 4.44Å; C96-L101 WeakPolarHBondContact O-CG 3.21Å; C96-L101 PolarHBondContact O-N 3.02Å; L101-A103 HydrophobicContact CB-CB 4.19Å; L101-A103 PolarHBondContact O-N 3.45Å
102H95.7Very high96.2Very high154 Ų15441.1 Ų41.171%0.71319%0.194SC*.  trans50.340.4-173.7-59.5-56.8000112.7I97 F98 K99I97-H102 PolarHBondContact O-N 3.33Å; I97-H102 VanDerWaalsContact O-N 3.16Å; F98-H102 PolarHBondContact O-ND1 3.35Å; K99-H102 PolarHBondContact O-CE1 2.71Å; K99-H102 PolarHBondContact O-ND1 2.69Å; K99-H102 PolarHBondContact O-NE2 3.28Å
103A95Very high96.1Very high7 Ų741.5 Ų41.56%0.05820%0.197CC..  trans-105.5144-17600000111.4I8 F21 I97 L101 P105I8-A103 HydrophobicContact CD1-CB 3.55Å; F21-A103 HydrophobicContact CE1-CB 4.46Å; F21-A103 HydrophobicContact CZ-CB 4.39Å; I97-A103 PolarHBondContact O-N 3.2Å; I97-A103 VanDerWaalsContact O-N 3.15Å; L101-A103 HydrophobicContact CB-CB 4.19Å; L101-A103 PolarHBondContact O-N 3.45Å; A103-P105 WeakPolarHBondContact O-CD 3.34Å
104E96.3Very high96Very high98 Ų9841.7 Ų41.746%0.45820%0.198SC..  trans-83.8108.2166.1-173.961-118.200107.8E106 D107 H108E104-E106 HydrophobicContact CG-CB 4.47Å; E104-E106 PolarHBondContact O-N 3.07Å; E104-D107 PolarHBondContact O-N 3.3Å; E104-H108 PolarHBondContact O-CD2 3.06Å; E104-H108 VanDerWaalsContact O-CD2 3.31Å
105P96.6Very high95.7Very high4 Ų438.9 Ų38.93%0.02619%0.186CC..G310 helixtrans-58.9-26.2-171.223.3-34.5000113.6I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4.05Å; I97-P105 HydrophobicContact CG2-CG 4.18Å; F98-P105 HydrophobicContact CE1-CG 4.1Å; F98-P105 HydrophobicContact CZ-CG 3.84Å; A103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-D107 PolarHBondContact O-N 3.29Å; P105-H108 PolarHBondContact O-N 2.94Å; P105-F110 HydrophobicContact CB-CE2 4.16Å; P105-F110 HydrophobicContact CB-CZ 4.14Å; P105-F134 HydrophobicContact CB-CB 4.06Å; P105-F134 VanDerWaalsContact CB-O 3.29Å; P105-F134 WeakPolarHBondContact CB-O 3.47Å; P105-F134 HydrophobicContact CG-CB 4.28Å; P105-F134 VanDerWaalsContact CG-O 3.29Å; P105-F134 WeakPolarHBondContact CG-O 3.47Å; P105-V136 HydrophobicContact CB-CG1 4.08Å; P105-P137 VanDerWaalsContact O-CD 3.29Å; P105-P137 WeakPolarHBondContact O-CD 3.3Å
106E96.5Very high95.2Very high96 Ų9638.4 Ų38.445%0.44919%0.186SC..G310 helixtrans-66.4-20.1178.1-54.5-162.9177.400113.8E104 N135 P137E104-E106 HydrophobicContact CG-CB 4.47Å; E104-E106 PolarHBondContact O-N 3.07Å; E106-N135 HydrophobicContact CG-CB 3.68Å; E106-N135 VanDerWaalsContact OE1-CB 3.29Å; E106-N135 WeakPolarHBondContact OE1-CB 3.48Å; E106-N135 PolarHBondContact OE1-ND2 3.37Å; E106-P137 VanDerWaalsContact O-CD 3.27Å; E106-P137 WeakPolarHBondContact O-CD 3.43Å; E106-P137 WeakPolarHBondContact O-CG 3.23Å
107D96.4Very high94.7Very high103 Ų10343.1 Ų43.155%0.55121%0.21SC*.G310 helixtrans-95.1-8.4-178.1-70.3-29.2000113.6L5 E104 P105L5-D107 HydrophobicContact CD1-CB 3.81Å; E104-D107 PolarHBondContact O-N 3.3Å; P105-D107 PolarHBondContact O-N 3.29Å
108H96.8Very high94.4Very high13 Ų1343.8 Ų43.86%0.0621%0.214CC..  trans-123135.3-170.2-67.1-98.1000112.8L5 P6 I8 F21 E104 P105 F110 P137L5-H108 WeakPolarHBondContact CD1-NE2 3.48Å; P6-H108 PolarHBondContact O-ND1 2.78Å; I8-H108 HydrophobicContact CD1-CB 3.69Å; I8-H108 HydrophobicContact CG1-CB 4Å; F21-H108 AromaticContact CE1-CE1 3.56Å; F21-H108 AromaticContact CE1-ND1 3.91Å; E104-H108 PolarHBondContact O-CD2 3.06Å; E104-H108 VanDerWaalsContact O-CD2 3.31Å; P105-H108 PolarHBondContact O-N 2.94Å; H108-F110 HydrophobicContact CB-CE2 4.07Å; H108-F110 VanDerWaalsContact O-CD2 3.25Å; H108-F110 WeakPolarHBondContact O-CD2 3.42Å; H108-F110 WeakPolarHBondContact O-CE2 3.11Å; H108-P137 WeakPolarHBondContact O-CD 3.1Å; H108-P137 WeakPolarHBondContact O-CG 3.27Å
109Y97.6Very high94.4Very high30 Ų3042.4 Ų42.412%0.11821%0.212CC..EExtended strand (participates in β ladder)trans-76.4147.9165.1-83.3-129.7000109.2P7 I8 P137 G138 F390 Y391P7-Y109 CarbonylContact C-O 3.52Å; P7-Y109 WeakPolarHBondContact CA-O 3.31Å; P7-Y109 VanDerWaalsContact CB-O 3.27Å; P7-Y109 WeakPolarHBondContact CB-O 3.27Å; I8-Y109 PolarHBondContact N-O 2.98Å; Y109-P137 HydrophobicContact CD2-CB 4.24Å; Y109-P137 HydrophobicContact CD2-CG 3.78Å; Y109-P137 HydrophobicContact CE2-CB 3.87Å; Y109-P137 HydrophobicContact CE2-CG 3.93Å; Y109-G138 WeakPolarHBondContact CA-O 3.4Å; Y109-F390 HydrophobicContact CD1-CE1 4.24Å; Y109-F390 HydrophobicContact CG-CE1 4.38Å; Y109-Y391 AromaticContact CD1-CD1 3.74Å; Y109-Y391 HydrophobicContact CD1-CD1 3.74Å; Y109-Y391 HydrophobicContact CD1-CE1 4.26Å; Y109-Y391 HydrophobicContact CD2-CD1 4.32Å; Y109-Y391 HydrophobicContact CD2-CE1 4.26Å; Y109-Y391 AromaticContact CE1-CD1 3.92Å; Y109-Y391 HydrophobicContact CE1-CD1 3.92Å; Y109-Y391 AromaticContact CG-CD1 3.95Å; Y109-Y391 HydrophobicContact CG-CD1 3.95Å; Y109-Y391 HydrophobicContact CG-CE1 4.01Å
110F98.1Very high94.5Very high0 Ų038.2 Ų38.20%020%0.199CC..EExtended strand (participates in β ladder)trans-115.1135.4-178.3-78-104.7000112.5I8 I10 I97 P105 H108 M130 V136 G138 L139 Y140I8-F110 HydrophobicContact CB-CD1 3.77Å; I8-F110 HydrophobicContact CB-CE1 3.68Å; I8-F110 HydrophobicContact CB-CG 4.29Å; I8-F110 HydrophobicContact CB-CZ 4.11Å; I8-F110 HydrophobicContact CD1-CE1 3.83Å; I8-F110 HydrophobicContact CD1-CE2 4.08Å; I8-F110 HydrophobicContact CD1-CZ 3.48Å; I8-F110 VanDerWaalsContact CD1-CZ 3.48Å; I8-F110 HydrophobicContact CG1-CE1 4.36Å; I8-F110 HydrophobicContact CG1-CZ 4.36Å; I8-F110 HydrophobicContact CG2-CD1 3.69Å; I8-F110 HydrophobicContact CG2-CE1 3.48Å; I8-F110 VanDerWaalsContact CG2-CE1 3.48Å; I8-F110 HydrophobicContact CG2-CZ 4.28Å; I8-F110 CarbonylContact O-C 3.58Å; I8-F110 WeakPolarHBondContact O-CA 3.22Å; I10-F110 HydrophobicContact CD1-CD1 4.31Å; I10-F110 HydrophobicContact CD1-CE1 4.23Å; I97-F110 HydrophobicContact CD1-CE1 4.03Å; I97-F110 HydrophobicContact CD1-CZ 4.12Å; I97-F110 HydrophobicContact CG1-CE1 4.03Å; I97-F110 HydrophobicContact CG1-CZ 4.21Å; P105-F110 HydrophobicContact CB-CE2 4.16Å; P105-F110 HydrophobicContact CB-CZ 4.14Å; H108-F110 HydrophobicContact CB-CE2 4.07Å; H108-F110 VanDerWaalsContact O-CD2 3.25Å; H108-F110 WeakPolarHBondContact O-CD2 3.42Å; H108-F110 WeakPolarHBondContact O-CE2 3.11Å; F110-M130 HydrophobicContact CB-CE 3.56Å; F110-M130 HydrophobicContact CD1-CE 3.25Å; F110-M130 HydrophobicContact CD2-CE 3.97Å; F110-M130 HydrophobicContact CE1-CE 3.82Å; F110-M130 HydrophobicContact CE2-CE 4.47Å; F110-M130 HydrophobicContact CG-CE 3.31Å; F110-M130 HydrophobicContact CZ-CE 4.39Å; F110-V136 HydrophobicContact CD2-CB 3.82Å; F110-V136 HydrophobicContact CD2-CG1 3.42Å; F110-V136 VanDerWaalsContact CD2-CG1 3.42Å; F110-V136 HydrophobicContact CE2-CB 4.12Å; F110-V136 HydrophobicContact CE2-CG1 3.37Å; F110-V136 HydrophobicContact CG-CG1 4.26Å; F110-V136 HydrophobicContact CZ-CG1 4.16Å; F110-G138 PolarHBondContact N-O 3.29Å; F110-L139 HydrophobicContact CB-CD1 4.03Å; F110-L139 CarbonylContact O-C 3.54Å; F110-L139 WeakPolarHBondContact O-CA 3.19Å; F110-Y140 PolarHBondContact O-N 3.03Å
111L98Very high94.6Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-108.9111.9163.6-168.4153.9000108.4I8 V9 I10 T113 Y140 A142 L147 A385 F390I8-L111 PolarHBondContact O-N 3.45Å; V9-L111 WeakPolarHBondContact CA-O 3.3Å; V9-L111 HydrophobicContact CG1-CD2 4.09Å; V9-L111 HydrophobicContact CG2-CB 4.22Å; I10-L111 PolarHBondContact N-O 2.83Å; L111-T113 HydrophobicContact CD2-CG2 4.43Å; L111-Y140 WeakPolarHBondContact CA-O 3.13Å; L111-Y140 HydrophobicContact CD1-CD1 4.15Å; L111-Y140 HydrophobicContact CG-CD1 4.13Å; L111-A142 HydrophobicContact CD2-CB 3.88Å; L111-A142 HydrophobicContact CG-CB 4.31Å; L111-L147 HydrophobicContact CD2-CD1 4.02Å; L111-A385 HydrophobicContact CD1-CB 4.14Å; L111-F390 HydrophobicContact CB-CE2 3.89Å; L111-F390 HydrophobicContact CB-CZ 4.35Å; L111-F390 HydrophobicContact CD1-CD2 4.2Å; L111-F390 HydrophobicContact CD1-CE2 3.99Å; L111-F390 HydrophobicContact CG-CE2 4.31Å
112L97.7Very high94.7Very high2 Ų241.6 Ų41.61%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-104.1154.9171.6-62.3-174.6000110I10 W93 I126 M130 L139 Y140 I141 A142I10-L112 HydrophobicContact CB-CD2 3.62Å; I10-L112 HydrophobicContact CD1-CD2 4.08Å; I10-L112 HydrophobicContact CG1-CD2 4.08Å; I10-L112 HydrophobicContact CG2-CD2 4.46Å; W93-L112 HydrophobicContact CZ2-CD1 4.43Å; L112-I126 HydrophobicContact CD1-CG2 3.41Å; L112-I126 VanDerWaalsContact CD1-CG2 3.41Å; L112-M130 HydrophobicContact CD1-CE 4Å; L112-M130 HydrophobicContact CD1-CG 3.79Å; L112-M130 HydrophobicContact CD1-SD 3.91Å; L112-M130 HydrophobicContact CD2-CE 4.41Å; L112-M130 HydrophobicContact CG-CE 4.33Å; L112-L139 HydrophobicContact CD1-CD1 3.96Å; L112-L139 HydrophobicContact CG-CD1 3.96Å; L112-Y140 PolarHBondContact N-O 3.44Å; L112-I141 CarbonylContact O-C 3.49Å; L112-I141 WeakPolarHBondContact O-CA 3.36Å; L112-A142 PolarHBondContact O-N 3.07Å
113T95.5Very high94.7Very high10 Ų1035.8 Ų35.86%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-106.5149.2178.367.70000112I10 D11 N12 L111 A142 L147 V377I10-T113 PolarHBondContact O-N 3.32Å; D11-T113 WeakPolarHBondContact CA-OG1 3.32Å; D11-T113 HydrophobicContact CB-CG2 3.86Å; D11-T113 PolarHBondContact OD1-OG1 2.84Å; D11-T113 VanDerWaalsContact OD1-OG1 3.14Å; N12-T113 PolarHBondContact N-OG1 3.28Å; L111-T113 HydrophobicContact CD2-CG2 4.43Å; T113-A142 CarbonylContact C-O 3.56Å; T113-A142 VanDerWaalsContact CA-O 3.27Å; T113-A142 WeakPolarHBondContact CA-O 3.31Å; T113-L147 HydrophobicContact CG2-CD1 3.81Å; T113-V377 HydrophobicContact CG2-CG1 3.69Å
114E93.5Very high94.9Very high5 Ų537.2 Ų37.22%0.02319%0.19CC..EExtended strand (participates in β ladder)trans-129.8149.8170.465.8172.5-171.800113N118 R123 I141 A142 V143 Q144E114-N118 HydrophobicContact CB-CB 3.94Å; E114-N118 HydrophobicContact CG-CB 4.35Å; E114-N118 WeakPolarHBondContact OE2-CB 3.37Å; E114-N118 PolarHBondContact OE2-ND2 3.05Å; E114-R123 IonicContact OE1-CZ 3.74Å; E114-R123 VanDerWaalsContact OE1-CZ 3.25Å; E114-R123 IonicContact OE1-NE 3.61Å; E114-R123 PolarHBondContact OE1-NE 3.06Å; E114-R123 IonicContact OE1-NH2 3.26Å; E114-R123 PolarHBondContact OE1-NH2 2.78Å; E114-R123 VanDerWaalsContact OE2-CG 3.25Å; E114-R123 WeakPolarHBondContact OE2-CG 3.4Å; E114-R123 IonicContact OE2-CZ 2.76Å; E114-R123 IonicContact OE2-NE 3.88Å; E114-R123 PolarHBondContact OE2-NE 2.81Å; E114-R123 IonicContact OE2-NH2 3.66Å; E114-R123 PolarHBondContact OE2-NH2 2.98Å; E114-I141 HydrophobicContact CB-CG2 3.9Å; E114-I141 HydrophobicContact CG-CG2 3.81Å; E114-A142 PolarHBondContact N-O 3.39Å; E114-V143 HydrophobicContact CG-CG2 4.25Å; E114-Q144 VanDerWaalsContact O-CG 3.27Å; E114-Q144 WeakPolarHBondContact O-CG 3.3Å; E114-Q144 PolarHBondContact O-N 3.34Å
115P90.4Very high94.9Very high14 Ų1437.7 Ų37.79%0.09119%0.189CC..  trans-66.1158.3169.932.2-38.5000110.8G81 L117 N118G81-P115 VanDerWaalsContact O-CG 3.31Å; G81-P115 WeakPolarHBondContact O-CG 3.37Å; P115-L117 PolarHBondContact O-N 2.78Å; P115-L117 VanDerWaalsContact O-N 3.13Å; P115-N118 HydrophobicContact CG-CB 3.97Å; P115-N118 WeakPolarHBondContact O-CB 3.28Å; P115-N118 PolarHBondContact O-N 3.4Å; P115-N118 VanDerWaalsContact O-N 3.12Å
116P84.5Confident95Very high19 Ų1937.8 Ų37.812%0.12319%0.189CC..THydrogen-bonded Turntrans-65.6-20.3-171.731.1-41.9000115.1V143 I178 V185 I190P116-V143 HydrophobicContact CB-CG1 4.4Å; P116-I178 HydrophobicContact CB-CD1 4.03Å; P116-I178 HydrophobicContact CB-CG1 4.37Å; P116-I178 HydrophobicContact CB-CG2 4.11Å; P116-I178 HydrophobicContact CG-CD1 3.57Å; P116-I178 HydrophobicContact CG-CG1 4Å; P116-V185 HydrophobicContact CB-CG1 4.4Å; P116-I190 HydrophobicContact CB-CD1 3.81Å; P116-I190 HydrophobicContact CG-CD1 4.26Å
117L85.1Confident95Very high98 Ų9833.2 Ų33.251%0.51317%0.168SC..THydrogen-bonded Turntrans-109.422.4178.6-66.7-178.2000112.6P115 I190 H192P115-L117 PolarHBondContact O-N 2.78Å; P115-L117 VanDerWaalsContact O-N 3.13Å; L117-I190 HydrophobicContact CD2-CD1 3.7Å; L117-I190 HydrophobicContact CG-CD1 3.99Å; L117-H192 WeakPolarHBondContact CD1-NE2 3.45Å
118N91.1Very high95.1Very high14 Ų1432.5 Ų32.58%0.07516%0.161CC..  trans-63.9136.8175.3-163.236.3000111.1E114 P115 N122 R123E114-N118 HydrophobicContact CB-CB 3.94Å; E114-N118 HydrophobicContact CG-CB 4.35Å; E114-N118 WeakPolarHBondContact OE2-CB 3.37Å; E114-N118 PolarHBondContact OE2-ND2 3.05Å; P115-N118 HydrophobicContact CG-CB 3.97Å; P115-N118 WeakPolarHBondContact O-CB 3.28Å; P115-N118 PolarHBondContact O-N 3.4Å; P115-N118 VanDerWaalsContact O-N 3.12Å; N118-N122 WeakPolarHBondContact OD1-CB 3.44Å; N118-N122 PolarHBondContact OD1-ND2 3.42Å; N118-R123 PolarHBondContact O-NH2 2.88Å
119T94Very high95.1Very high57 Ų5732.5 Ų32.535%0.3516%0.161SC..  trans-73.7150.4-178.563.20000110.9E121 N122 R123T119-E121 WeakPolarHBondContact CB-OE2 3.27Å; T119-E121 PolarHBondContact O-N 3.13Å; T119-N122 PolarHBondContact O-N 3.28Å; T119-N122 WeakPolarHBondContact OG1-CB 3.35Å; T119-N122 PolarHBondContact OG1-N 3.43Å; T119-N122 VanDerWaalsContact OG1-N 3.16Å; T119-N122 PolarHBondContact OG1-ND2 3.16Å; T119-N122 PolarHBondContact OG1-OD1 3.3Å; T119-R123 PolarHBondContact O-N 3.25Å
120P95.6Very high95.2Very high48 Ų4831 Ų3131%0.31216%0.156SC..Hα-helixtrans-56.4-34.4171.1-23.933.9000113R123 E124 R409P120-R123 WeakPolarHBondContact O-CB 3.25Å; P120-R123 PolarHBondContact O-N 2.66Å; P120-R123 VanDerWaalsContact O-N 3.14Å; P120-E124 PolarHBondContact O-N 3.08Å; P120-E124 VanDerWaalsContact O-N 3.16Å; P120-R409 HydrophobicContact CB-CB 4.23Å; P120-R409 HydrophobicContact CB-CG 3.9Å
121E96.7Very high95.2Very high79 Ų7931 Ų3137%0.36916%0.156SC..Hα-helixtrans-63-42.3177.6-64.867.5-146.500111.1T119 R123 E124 Y125 R409T119-E121 WeakPolarHBondContact CB-OE2 3.27Å; T119-E121 PolarHBondContact O-N 3.13Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 2.81Å; E121-E124 WeakPolarHBondContact O-CB 3.47Å; E121-E124 PolarHBondContact O-N 3.22Å; E121-Y125 HydrophobicContact CB-CE2 4.36Å; E121-Y125 VanDerWaalsContact O-CD2 3.26Å; E121-Y125 WeakPolarHBondContact O-CD2 3.32Å; E121-Y125 PolarHBondContact O-N 3.04Å; E121-R409 IonicContact OE1-NH1 3.59Å; E121-R409 IonicContact OE1-NH2 2.69Å
122N96.7Very high95.1Very high22 Ų2235.5 Ų35.512%0.11818%0.176CC..Hα-helixtrans-62.4-33.2174.3-72.8-2000112.3W86 N118 T119 E124 Y125 I126W86-N122 HydrophobicContact CH2-CB 4.07Å; W86-N122 WeakPolarHBondContact CH2-O 3.28Å; W86-N122 HydrophobicContact CZ2-CB 3.89Å; N118-N122 WeakPolarHBondContact OD1-CB 3.44Å; N118-N122 PolarHBondContact OD1-ND2 3.42Å; T119-N122 PolarHBondContact O-N 3.28Å; T119-N122 WeakPolarHBondContact OG1-CB 3.35Å; T119-N122 PolarHBondContact OG1-N 3.43Å; T119-N122 VanDerWaalsContact OG1-N 3.16Å; T119-N122 PolarHBondContact OG1-ND2 3.16Å; T119-N122 PolarHBondContact OG1-OD1 3.3Å; N122-E124 VanDerWaalsContact C-N 3.31Å; N122-Y125 PolarHBondContact O-N 3.14Å; N122-I126 VanDerWaalsContact O-CG1 3.24Å; N122-I126 WeakPolarHBondContact O-CG1 3.22Å; N122-I126 PolarHBondContact O-N 3Å
123R97.3Very high95.1Very high33 Ų3338.2 Ų38.213%0.12520%0.196CC..Hα-helixtrans-67-34.5174.2-61.3-176.6-171.292.121112.1E114 N118 T119 P120 E121 A127 I141 C408 R409E114-R123 IonicContact OE1-CZ 3.74Å; E114-R123 VanDerWaalsContact OE1-CZ 3.25Å; E114-R123 IonicContact OE1-NE 3.61Å; E114-R123 PolarHBondContact OE1-NE 3.06Å; E114-R123 IonicContact OE1-NH2 3.26Å; E114-R123 PolarHBondContact OE1-NH2 2.78Å; E114-R123 VanDerWaalsContact OE2-CG 3.25Å; E114-R123 WeakPolarHBondContact OE2-CG 3.4Å; E114-R123 IonicContact OE2-CZ 2.76Å; E114-R123 IonicContact OE2-NE 3.88Å; E114-R123 PolarHBondContact OE2-NE 2.81Å; E114-R123 IonicContact OE2-NH2 3.66Å; E114-R123 PolarHBondContact OE2-NH2 2.98Å; N118-R123 PolarHBondContact O-NH2 2.88Å; T119-R123 PolarHBondContact O-N 3.25Å; P120-R123 WeakPolarHBondContact O-CB 3.25Å; P120-R123 PolarHBondContact O-N 2.66Å; P120-R123 VanDerWaalsContact O-N 3.14Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 2.81Å; R123-A127 WeakPolarHBondContact O-CB 3.24Å; R123-A127 PolarHBondContact O-N 3.48Å; R123-I141 HydrophobicContact CB-CD1 3.96Å; R123-I141 HydrophobicContact CG-CD1 4.3Å; R123-C408 WeakPolarHBondContact CD-O 3.31Å; R123-R409 PolarHBondContact NH1-O 3.47Å
124E97.8Very high95.2Very high36 Ų3638.3 Ų38.317%0.16820%0.195CC..Hα-helixtrans-67.9-44.6175-65.8-175.7149.400111.1P120 E121 N122 I126 A127 E128 P405 S406 R409P120-E124 PolarHBondContact O-N 3.08Å; P120-E124 VanDerWaalsContact O-N 3.16Å; E121-E124 WeakPolarHBondContact O-CB 3.47Å; E121-E124 PolarHBondContact O-N 3.22Å; N122-E124 VanDerWaalsContact C-N 3.31Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 2.76Å; E124-A127 WeakPolarHBondContact O-CB 3.07Å; E124-A127 PolarHBondContact O-N 3.23Å; E124-A127 VanDerWaalsContact O-N 3.08Å; E124-E128 WeakPolarHBondContact O-CB 3.34Å; E124-E128 PolarHBondContact O-N 3.03Å; E124-P405 HydrophobicContact CB-CB 4.08Å; E124-P405 HydrophobicContact CG-CB 4.03Å; E124-S406 WeakPolarHBondContact OE1-CA 3.3Å; E124-R409 VanDerWaalsContact CD-NE 3.27Å; E124-R409 VanDerWaalsContact CD-NH2 3.26Å; E124-R409 HydrophobicContact CG-CG 4.06Å; E124-R409 IonicContact OE1-CZ 2.86Å; E124-R409 IonicContact OE1-NE 2.91Å; E124-R409 PolarHBondContact OE1-NE 3.26Å; E124-R409 IonicContact OE1-NH2 2.85Å; E124-R409 PolarHBondContact OE1-NH2 3.37Å; E124-R409 VanDerWaalsContact OE1-NH2 3.16Å; E124-R409 IonicContact OE2-CZ 3.62Å; E124-R409 IonicContact OE2-NE 3.54Å; E124-R409 IonicContact OE2-NH2 3.67Å; E124-R409 PolarHBondContact OE2-NH2 3.38Å
125Y97.5Very high95.3Very high109 Ų10940.5 Ų40.543%0.42721%0.207SC..Hα-helixtrans-62-38.7175.1-63.3-47.7000112.9W86 E121 N122 A127 E128 I129W86-Y125 HydrophobicContact CD2-CG 4.44Å; W86-Y125 AromaticContact CE2-CD2 3.82Å; W86-Y125 HydrophobicContact CH2-CD2 4.49Å; W86-Y125 AromaticContact CZ2-CD2 3.82Å; W86-Y125 HydrophobicContact CZ2-CD2 3.82Å; W86-Y125 HydrophobicContact CZ2-CG 4.24Å; W86-Y125 AromaticContact NE1-CD2 3.96Å; E121-Y125 HydrophobicContact CB-CE2 4.36Å; E121-Y125 VanDerWaalsContact O-CD2 3.26Å; E121-Y125 WeakPolarHBondContact O-CD2 3.32Å; E121-Y125 PolarHBondContact O-N 3.04Å; N122-Y125 PolarHBondContact O-N 3.14Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; Y125-E128 PolarHBondContact O-N 3.38Å; Y125-I129 WeakPolarHBondContact O-CG1 3.16Å; Y125-I129 PolarHBondContact O-N 2.99Å; Y125-I129 VanDerWaalsContact O-N 3.14Å
126I97.4Very high95.7Very high6 Ų639.9 Ų39.93%0.03120%0.203CC..Hα-helixtrans-59.5-47.8171.4-69.3165.5000110.2W86 W93 L112 N122 E124 I129 M130 L139 I141W86-I126 HydrophobicContact CH2-CG1 3.84Å; W86-I126 HydrophobicContact CZ3-CG1 3.78Å; W93-I126 HydrophobicContact CH2-CG1 4.12Å; L112-I126 HydrophobicContact CD1-CG2 3.41Å; L112-I126 VanDerWaalsContact CD1-CG2 3.41Å; N122-I126 VanDerWaalsContact O-CG1 3.24Å; N122-I126 WeakPolarHBondContact O-CG1 3.22Å; N122-I126 PolarHBondContact O-N 3Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 2.76Å; I126-I129 PolarHBondContact O-N 2.82Å; I126-M130 HydrophobicContact CG2-CG 4.27Å; I126-M130 WeakPolarHBondContact O-CB 3.2Å; I126-M130 WeakPolarHBondContact O-CG 3.35Å; I126-M130 PolarHBondContact O-N 3.44Å; I126-L139 HydrophobicContact CG2-CD2 4.28Å; I126-I141 HydrophobicContact CB-CD1 3.98Å; I126-I141 HydrophobicContact CD1-CD1 4.31Å; I126-I141 HydrophobicContact CG2-CD1 3.73Å; I126-I141 HydrophobicContact CG2-CG1 4.19Å
127A97.9Very high96.3Very high0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-64.7-41.3-178.300000112.3R123 E124 Y125 M130 F131 L139 Y400 C408R123-A127 WeakPolarHBondContact O-CB 3.24Å; R123-A127 PolarHBondContact O-N 3.48Å; E124-A127 WeakPolarHBondContact O-CB 3.07Å; E124-A127 PolarHBondContact O-N 3.23Å; E124-A127 VanDerWaalsContact O-N 3.08Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; A127-M130 PolarHBondContact O-N 3.06Å; A127-F131 HydrophobicContact CB-CD2 4.14Å; A127-F131 HydrophobicContact CB-CE2 4.35Å; A127-F131 WeakPolarHBondContact O-CB 3.17Å; A127-F131 VanDerWaalsContact O-CD2 3.26Å; A127-F131 WeakPolarHBondContact O-CD2 3.49Å; A127-F131 PolarHBondContact O-N 2.94Å; A127-L139 HydrophobicContact CB-CD2 4.11Å; A127-Y400 HydrophobicContact CB-CD2 4.29Å; A127-Y400 HydrophobicContact CB-CE2 3.82Å; A127-C408 HydrophobicContact CB-CB 3.72Å; A127-C408 WeakPolarHBondContact CB-SG 3.13Å
128E97.7Very high96.9Very high88 Ų8835.9 Ų35.941%0.41118%0.183SC..Hα-helixtrans-55.2-54.9175.2-177.3175.5-152.300110.5E124 Y125 M130 E132 Y400E124-E128 WeakPolarHBondContact O-CB 3.34Å; E124-E128 PolarHBondContact O-N 3.03Å; Y125-E128 PolarHBondContact O-N 3.38Å; E128-M130 PolarHBondContact O-N 3.21Å; E128-E132 WeakPolarHBondContact O-CA 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.26Å; E128-E132 WeakPolarHBondContact O-CG 3.45Å; E128-E132 PolarHBondContact O-N 3.17Å; E128-Y400 WeakPolarHBondContact CA-OH 2.94Å
129I97.7Very high97.2Very high12 Ų1235.3 Ų35.36%0.06218%0.18CC..Iπ-helixtrans-59.8-46.6178.9-66.7164.8000111.3W86 E90 W93 Y125 I126 S133 F134W86-I129 HydrophobicContact CE3-CD1 3.76Å; W86-I129 HydrophobicContact CZ3-CD1 4.36Å; E90-I129 HydrophobicContact CB-CD1 4.2Å; E90-I129 HydrophobicContact CB-CG1 4.49Å; E90-I129 HydrophobicContact CB-CG2 4.21Å; E90-I129 HydrophobicContact CG-CG2 3.85Å; W93-I129 HydrophobicContact CE3-CD1 4.49Å; W93-I129 HydrophobicContact CE3-CG2 3.83Å; W93-I129 HydrophobicContact CZ3-CB 4.33Å; W93-I129 HydrophobicContact CZ3-CD1 3.88Å; W93-I129 HydrophobicContact CZ3-CG2 4.06Å; Y125-I129 WeakPolarHBondContact O-CG1 3.16Å; Y125-I129 PolarHBondContact O-N 2.99Å; Y125-I129 VanDerWaalsContact O-N 3.14Å; I126-I129 PolarHBondContact O-N 2.82Å; I129-S133 WeakPolarHBondContact O-CA 3.42Å; I129-S133 WeakPolarHBondContact O-CB 3.44Å; I129-S133 PolarHBondContact O-N 3Å; I129-S133 VanDerWaalsContact O-N 3.12Å; I129-F134 HydrophobicContact CG2-CD2 3.92Å; I129-F134 HydrophobicContact CG2-CE2 3.51Å; I129-F134 HydrophobicContact CG2-CZ 4.36Å; I129-F134 PolarHBondContact O-N 2.83Å; I129-F134 VanDerWaalsContact O-N 3.1Å
130M98.1Very high97.4Very high0 Ų033.2 Ų33.20%017%0.166CC..Iπ-helixtrans-69-42.3-174.9-66-61-77.200112.7F110 L112 I126 A127 E128 F134 N135 V136 L139F110-M130 HydrophobicContact CB-CE 3.56Å; F110-M130 HydrophobicContact CD1-CE 3.25Å; F110-M130 HydrophobicContact CD2-CE 3.97Å; F110-M130 HydrophobicContact CE1-CE 3.82Å; F110-M130 HydrophobicContact CE2-CE 4.47Å; F110-M130 HydrophobicContact CG-CE 3.31Å; F110-M130 HydrophobicContact CZ-CE 4.39Å; L112-M130 HydrophobicContact CD1-CE 4Å; L112-M130 HydrophobicContact CD1-CG 3.79Å; L112-M130 HydrophobicContact CD1-SD 3.91Å; L112-M130 HydrophobicContact CD2-CE 4.41Å; L112-M130 HydrophobicContact CG-CE 4.33Å; I126-M130 HydrophobicContact CG2-CG 4.27Å; I126-M130 WeakPolarHBondContact O-CB 3.2Å; I126-M130 WeakPolarHBondContact O-CG 3.35Å; I126-M130 PolarHBondContact O-N 3.44Å; A127-M130 PolarHBondContact O-N 3.06Å; E128-M130 PolarHBondContact O-N 3.21Å; M130-F134 CarbonylContact O-C 3.43Å; M130-F134 HydrophobicContact SD-CD2 3.81Å; M130-F134 HydrophobicContact SD-CE2 4.38Å; M130-N135 PolarHBondContact O-N 3.25Å; M130-V136 HydrophobicContact CB-CG2 3.94Å; M130-V136 HydrophobicContact CE-CG1 4.04Å; M130-V136 WeakPolarHBondContact O-CG1 3.12Å; M130-V136 WeakPolarHBondContact O-CG2 3.26Å; M130-V136 PolarHBondContact O-N 3.02Å; M130-V136 VanDerWaalsContact O-N 3.08Å; M130-L139 HydrophobicContact CB-CD1 4.36Å; M130-L139 HydrophobicContact CB-CD2 4.06Å; M130-L139 HydrophobicContact CE-CD1 4.29Å; M130-L139 HydrophobicContact CG-CD1 4.1Å; M130-L139 HydrophobicContact CG-CD2 4.26Å
131F98.2Very high97.5Very high0 Ų031 Ų310%015%0.151CC..Iπ-helixtrans-85.7-39-177.6-72-59.9000113.7A127 N135 V136 L139 H395 K397 Y400A127-F131 HydrophobicContact CB-CD2 4.14Å; A127-F131 HydrophobicContact CB-CE2 4.35Å; A127-F131 WeakPolarHBondContact O-CB 3.17Å; A127-F131 VanDerWaalsContact O-CD2 3.26Å; A127-F131 WeakPolarHBondContact O-CD2 3.49Å; A127-F131 PolarHBondContact O-N 2.94Å; F131-N135 WeakPolarHBondContact O-CA 3.36Å; F131-N135 PolarHBondContact O-N 3.41Å; F131-V136 HydrophobicContact CD1-CG2 3.81Å; F131-V136 VanDerWaalsContact CD1-O 3.23Å; F131-V136 WeakPolarHBondContact CD1-O 3.43Å; F131-V136 HydrophobicContact CE1-CG2 3.87Å; F131-V136 WeakPolarHBondContact CE1-O 3.34Å; F131-L139 HydrophobicContact CE1-CB 4.27Å; F131-L139 HydrophobicContact CE2-CB 3.87Å; F131-L139 HydrophobicContact CE2-CD2 4.05Å; F131-L139 HydrophobicContact CZ-CB 3.54Å; F131-H395 WeakPolarHBondContact CZ-O 3.47Å; F131-K397 HydrophobicContact CD1-CB 3.88Å; F131-K397 HydrophobicContact CD1-CG 4.01Å; F131-K397 HydrophobicContact CE1-CB 4.02Å; F131-Y400 HydrophobicContact CB-CD1 3.78Å; F131-Y400 HydrophobicContact CB-CD2 4.43Å; F131-Y400 HydrophobicContact CB-CE1 3.95Å; F131-Y400 HydrophobicContact CB-CG 4.05Å; F131-Y400 HydrophobicContact CD2-CD1 4.07Å; F131-Y400 AromaticContact CD2-CD2 3.27Å; F131-Y400 HydrophobicContact CD2-CD2 3.27Å; F131-Y400 AromaticContact CD2-CE2 3.78Å; F131-Y400 HydrophobicContact CD2-CE2 3.78Å; F131-Y400 AromaticContact CD2-CG 3.44Å; F131-Y400 HydrophobicContact CD2-CG 3.44Å; F131-Y400 VanDerWaalsContact CD2-CG 3.44Å; F131-Y400 AromaticContact CE2-CD2 3.74Å; F131-Y400 HydrophobicContact CE2-CD2 3.74Å; F131-Y400 AromaticContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 HydrophobicContact CG-CD2 4.1Å; F131-Y400 AromaticContact CG-CG 3.82Å; F131-Y400 HydrophobicContact CG-CG 3.82Å
132E97.7Very high97.4Very high93 Ų9327.3 Ų27.344%0.43513%0.134SC..Iπ-helixtrans-89.8-39.5-173.4-54.7-169.9-158.700112.3E128 Y400E128-E132 WeakPolarHBondContact O-CA 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.26Å; E128-E132 WeakPolarHBondContact O-CG 3.45Å; E128-E132 PolarHBondContact O-N 3.17Å; E132-Y400 HydrophobicContact CG-CE1 3.9Å; E132-Y400 WeakPolarHBondContact OE1-CE1 3.28Å; E132-Y400 PolarHBondContact OE1-OH 3.35Å
133S96.4Very high97.3Very high59 Ų5928 Ų2841%0.41314%0.139SC..Iπ-helixtrans-88.3-49.8178.4-51.30000112.3E90 I129E90-S133 WeakPolarHBondContact OE1-CB 3.45Å; E90-S133 PolarHBondContact OE1-OG 3.39Å; I129-S133 WeakPolarHBondContact O-CA 3.42Å; I129-S133 WeakPolarHBondContact O-CB 3.44Å; I129-S133 PolarHBondContact O-N 3Å; I129-S133 VanDerWaalsContact O-N 3.12Å
134F97Very high97Very high13 Ų1327.2 Ų27.26%0.05714%0.137CC..SBendtrans-94.4-1.9-176.6-59.4-50.2000114.6E90 W93 E94 I97 F98 P105 I129 M130 V136E90-F134 HydrophobicContact CG-CZ 4.34Å; W93-F134 HydrophobicContact CB-CE2 3.74Å; W93-F134 HydrophobicContact CB-CZ 3.98Å; E94-F134 HydrophobicContact CB-CE1 3.93Å; E94-F134 HydrophobicContact CB-CZ 4.02Å; E94-F134 HydrophobicContact CG-CE1 4.35Å; I97-F134 HydrophobicContact CD1-CD1 4.19Å; I97-F134 HydrophobicContact CD1-CD2 3.85Å; I97-F134 HydrophobicContact CD1-CE1 4.37Å; I97-F134 HydrophobicContact CD1-CE2 4.02Å; I97-F134 HydrophobicContact CD1-CG 3.95Å; I97-F134 HydrophobicContact CD1-CZ 4.29Å; F98-F134 HydrophobicContact CE2-CD1 4.24Å; F98-F134 HydrophobicContact CE2-CE1 4.26Å; P105-F134 HydrophobicContact CB-CB 4.06Å; P105-F134 VanDerWaalsContact CB-O 3.29Å; P105-F134 WeakPolarHBondContact CB-O 3.47Å; P105-F134 HydrophobicContact CG-CB 4.28Å; P105-F134 VanDerWaalsContact CG-O 3.29Å; P105-F134 WeakPolarHBondContact CG-O 3.47Å; I129-F134 HydrophobicContact CG2-CD2 3.92Å; I129-F134 HydrophobicContact CG2-CE2 3.51Å; I129-F134 HydrophobicContact CG2-CZ 4.36Å; I129-F134 PolarHBondContact O-N 2.83Å; I129-F134 VanDerWaalsContact O-N 3.1Å; M130-F134 CarbonylContact O-C 3.43Å; M130-F134 HydrophobicContact SD-CD2 3.81Å; M130-F134 HydrophobicContact SD-CE2 4.38Å; F134-V136 HydrophobicContact CB-CG1 4.02Å; F134-V136 PolarHBondContact O-N 3.37Å; F134-V136 VanDerWaalsContact O-N 3.08Å
135N97.4Very high96.7Very high51 Ų5125.5 Ų25.527%0.27313%0.129SC..  trans57.623.7174.4-79.1-28.9000115.8E106 M130 F131 K397E106-N135 HydrophobicContact CG-CB 3.68Å; E106-N135 VanDerWaalsContact OE1-CB 3.29Å; E106-N135 WeakPolarHBondContact OE1-CB 3.48Å; E106-N135 PolarHBondContact OE1-ND2 3.37Å; M130-N135 PolarHBondContact O-N 3.25Å; F131-N135 WeakPolarHBondContact O-CA 3.36Å; F131-N135 PolarHBondContact O-N 3.41Å; N135-K397 VanDerWaalsContact CA-NZ 3.33Å; N135-K397 PolarHBondContact O-NZ 2.84Å; N135-K397 PolarHBondContact OD1-NZ 3.22Å
136V97.8Very high96.5Very high0 Ų020.9 Ų20.90%011%0.112CC..  trans-61.3141.4-171.2-54.40000112.4P105 F110 M130 F131 F134 G138 L139 K397P105-V136 HydrophobicContact CB-CG1 4.08Å; F110-V136 HydrophobicContact CD2-CB 3.82Å; F110-V136 HydrophobicContact CD2-CG1 3.42Å; F110-V136 VanDerWaalsContact CD2-CG1 3.42Å; F110-V136 HydrophobicContact CE2-CB 4.12Å; F110-V136 HydrophobicContact CE2-CG1 3.37Å; F110-V136 HydrophobicContact CG-CG1 4.26Å; F110-V136 HydrophobicContact CZ-CG1 4.16Å; M130-V136 HydrophobicContact CB-CG2 3.94Å; M130-V136 HydrophobicContact CE-CG1 4.04Å; M130-V136 WeakPolarHBondContact O-CG1 3.12Å; M130-V136 WeakPolarHBondContact O-CG2 3.26Å; M130-V136 PolarHBondContact O-N 3.02Å; M130-V136 VanDerWaalsContact O-N 3.08Å; F131-V136 HydrophobicContact CD1-CG2 3.81Å; F131-V136 VanDerWaalsContact CD1-O 3.23Å; F131-V136 WeakPolarHBondContact CD1-O 3.43Å; F131-V136 HydrophobicContact CE1-CG2 3.87Å; F131-V136 WeakPolarHBondContact CE1-O 3.34Å; F134-V136 HydrophobicContact CB-CG1 4.02Å; F134-V136 PolarHBondContact O-N 3.37Å; F134-V136 VanDerWaalsContact O-N 3.08Å; V136-G138 VanDerWaalsContact C-N 3.32Å; V136-G138 PolarHBondContact O-N 3.31Å; V136-L139 HydrophobicContact CG2-CB 4.48Å; V136-K397 WeakPolarHBondContact O-CB 3.09Å
137P97.3Very high96.3Very high34 Ų3420.7 Ų20.722%0.22111%0.111CC..SBendtrans-71.2-25.5-178.727.6-37.1000113.3P105 E106 H108 Y109 T396 K397P105-P137 VanDerWaalsContact O-CD 3.29Å; P105-P137 WeakPolarHBondContact O-CD 3.3Å; E106-P137 VanDerWaalsContact O-CD 3.27Å; E106-P137 WeakPolarHBondContact O-CD 3.43Å; E106-P137 WeakPolarHBondContact O-CG 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.1Å; H108-P137 WeakPolarHBondContact O-CG 3.27Å; Y109-P137 HydrophobicContact CD2-CB 4.24Å; Y109-P137 HydrophobicContact CD2-CG 3.78Å; Y109-P137 HydrophobicContact CE2-CB 3.87Å; Y109-P137 HydrophobicContact CE2-CG 3.93Å; P137-T396 WeakPolarHBondContact O-CA 3.26Å; P137-K397 PolarHBondContact O-N 2.69Å
138G97.3Very high95.9Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-163.7148.6176.300000113.8Y109 F110 V136 H395Y109-G138 WeakPolarHBondContact CA-O 3.4Å; F110-G138 PolarHBondContact N-O 3.29Å; V136-G138 VanDerWaalsContact C-N 3.32Å; V136-G138 PolarHBondContact O-N 3.31Å; G138-H395 CarbonylContact C-O 3.57Å; G138-H395 WeakPolarHBondContact CA-O 3.35Å
139L98.2Very high95.5Very high1 Ų116.6 Ų16.61%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-133.2138.5-174.9179.466.5000110.7F110 L112 I126 A127 M130 F131 V136 I141 H395F110-L139 HydrophobicContact CB-CD1 4.03Å; F110-L139 CarbonylContact O-C 3.54Å; F110-L139 WeakPolarHBondContact O-CA 3.19Å; L112-L139 HydrophobicContact CD1-CD1 3.96Å; L112-L139 HydrophobicContact CG-CD1 3.96Å; I126-L139 HydrophobicContact CG2-CD2 4.28Å; A127-L139 HydrophobicContact CB-CD2 4.11Å; M130-L139 HydrophobicContact CB-CD1 4.36Å; M130-L139 HydrophobicContact CB-CD2 4.06Å; M130-L139 HydrophobicContact CE-CD1 4.29Å; M130-L139 HydrophobicContact CG-CD1 4.1Å; M130-L139 HydrophobicContact CG-CD2 4.26Å; F131-L139 HydrophobicContact CE1-CB 4.27Å; F131-L139 HydrophobicContact CE2-CB 3.87Å; F131-L139 HydrophobicContact CE2-CD2 4.05Å; F131-L139 HydrophobicContact CZ-CB 3.54Å; V136-L139 HydrophobicContact CG2-CB 4.48Å; L139-I141 HydrophobicContact CD2-CD1 4.27Å; L139-I141 HydrophobicContact CD2-CG1 4.21Å; L139-I141 HydrophobicContact CG-CG1 4.22Å; L139-H395 PolarHBondContact N-O 2.81Å; L139-H395 PolarHBondContact O-N 2.91Å
140Y97.7Very high95.1Very high13 Ų1316 Ų165%0.0519%0.09CC..EExtended strand (participates in β ladder)trans-131.1125.9167.8-174.5-95.2000109.7F110 L111 L112 A142 F390 A393 N411 A412 F414F110-Y140 PolarHBondContact O-N 3.03Å; L111-Y140 WeakPolarHBondContact CA-O 3.13Å; L111-Y140 HydrophobicContact CD1-CD1 4.15Å; L111-Y140 HydrophobicContact CG-CD1 4.13Å; L112-Y140 PolarHBondContact N-O 3.44Å; Y140-A142 HydrophobicContact CD1-CB 3.9Å; Y140-A142 HydrophobicContact CE1-CB 3.61Å; Y140-F390 HydrophobicContact CG-CE2 4.39Å; Y140-A393 HydrophobicContact CD2-CB 4.22Å; Y140-A393 HydrophobicContact CE2-CB 3.95Å; Y140-N411 HydrophobicContact CD2-CB 4.21Å; Y140-N411 HydrophobicContact CE2-CB 3.8Å; Y140-A412 VanDerWaalsContact CE2-O 3.28Å; Y140-A412 WeakPolarHBondContact CE2-O 3.41Å; Y140-A412 PolarHBondContact OH-O 3.12Å; Y140-F414 HydrophobicContact CD1-CE1 4.41Å; Y140-F414 HydrophobicContact CD2-CE1 4.3Å; Y140-F414 AromaticContact CE1-CE1 3.87Å; Y140-F414 HydrophobicContact CE1-CE1 3.87Å; Y140-F414 HydrophobicContact CE2-CD1 4.11Å; Y140-F414 AromaticContact CE2-CE1 3.75Å; Y140-F414 HydrophobicContact CE2-CE1 3.75Å; Y140-F414 AromaticContact CZ-CD1 3.97Å; Y140-F414 AromaticContact CZ-CE1 3.51Å
141I97.3Very high94.6Very high2 Ų216.4 Ų16.41%0.019%0.093CC..EExtended strand (participates in β ladder)trans-103.1109.7176.4-53.7172.3000108.4L112 E114 R123 I126 L139 N411L112-I141 CarbonylContact O-C 3.49Å; L112-I141 WeakPolarHBondContact O-CA 3.36Å; E114-I141 HydrophobicContact CB-CG2 3.9Å; E114-I141 HydrophobicContact CG-CG2 3.81Å; R123-I141 HydrophobicContact CB-CD1 3.96Å; R123-I141 HydrophobicContact CG-CD1 4.3Å; I126-I141 HydrophobicContact CB-CD1 3.98Å; I126-I141 HydrophobicContact CD1-CD1 4.31Å; I126-I141 HydrophobicContact CG2-CD1 3.73Å; I126-I141 HydrophobicContact CG2-CG1 4.19Å; L139-I141 HydrophobicContact CD2-CD1 4.27Å; L139-I141 HydrophobicContact CD2-CG1 4.21Å; L139-I141 HydrophobicContact CG-CG1 4.22Å; I141-N411 PolarHBondContact N-OD1 3.31Å; I141-N411 VanDerWaalsContact N-OD1 3.15Å; I141-N411 VanDerWaalsContact O-CB 3.22Å; I141-N411 WeakPolarHBondContact O-CB 3.48Å; I141-N411 VanDerWaalsContact O-CG 3.24Å; I141-N411 PolarHBondContact O-ND2 2.85Å
142A95.5Very high93.9Very high2 Ų216.8 Ų16.82%0.01710%0.095CC..EExtended strand (participates in β ladder)trans-99.2137.3-174.400000112.1L111 L112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD2-CB 3.88Å; L111-A142 HydrophobicContact CG-CB 4.31Å; L112-A142 PolarHBondContact O-N 3.07Å; T113-A142 CarbonylContact C-O 3.56Å; T113-A142 VanDerWaalsContact CA-O 3.27Å; T113-A142 WeakPolarHBondContact CA-O 3.31Å; E114-A142 PolarHBondContact N-O 3.39Å; Y140-A142 HydrophobicContact CD1-CB 3.9Å; Y140-A142 HydrophobicContact CE1-CB 3.61Å; A142-Q144 PolarHBondContact O-N 2.93Å; A142-L147 HydrophobicContact CB-CD1 3.7Å; A142-L147 HydrophobicContact CB-CD2 3.84Å; A142-L147 HydrophobicContact CB-CG 3.86Å
143V93.3Very high93.1Very high35 Ų3512.5 Ų12.521%0.2128%0.075CC..EExtended strand (participates in β ladder)trans-74.1125.7173.2-1760000110.1E114 P116 A145 V146 L147 V185E114-V143 HydrophobicContact CG-CG2 4.25Å; P116-V143 HydrophobicContact CB-CG1 4.4Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 HydrophobicContact CG1-CB 4.47Å; V143-A145 PolarHBondContact O-N 3.08Å; V143-A145 VanDerWaalsContact O-N 3.14Å; V143-V146 HydrophobicContact CB-CG2 4.14Å; V143-V146 PolarHBondContact O-N 2.9Å; V143-L147 PolarHBondContact O-N 2.95Å; V143-V185 HydrophobicContact CG1-CG2 3.87Å
144Q92.5Very high92.1Very high17 Ų1713 Ų138%0.0798%0.078CC..Hα-helixtrans-51.6-41.7-174.7-72.4169.3-19.300113.4D11 E114 A142 V146 L147 A148 V377D11-Q144 PolarHBondContact OD1-NE2 3.45Å; E114-Q144 VanDerWaalsContact O-CG 3.27Å; E114-Q144 WeakPolarHBondContact O-CG 3.3Å; E114-Q144 PolarHBondContact O-N 3.34Å; A142-Q144 PolarHBondContact O-N 2.93Å; Q144-V146 VanDerWaalsContact C-N 3.35Å; Q144-V146 PolarHBondContact O-N 3.43Å; Q144-L147 PolarHBondContact O-N 2.87Å; Q144-A148 PolarHBondContact O-N 3Å; Q144-V377 HydrophobicContact CB-CG1 4.05Å; Q144-V377 HydrophobicContact CB-CG2 4.07Å; Q144-V377 HydrophobicContact CG-CG1 3.82Å; Q144-V377 HydrophobicContact CG-CG2 4.46Å
145A91.5Very high90.8Very high1 Ų116.4 Ų16.41%0.0089%0.093CC..Hα-helixtrans-61.5-40.1179.700000113.3V143 L147 A148 L149 V167 I178 V180V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 HydrophobicContact CG1-CB 4.47Å; V143-A145 PolarHBondContact O-N 3.08Å; V143-A145 VanDerWaalsContact O-N 3.14Å; A145-L147 VanDerWaalsContact C-N 3.34Å; A145-A148 PolarHBondContact O-N 3.43Å; A145-L149 PolarHBondContact O-N 3.23Å; A145-L149 VanDerWaalsContact O-N 3.08Å; A145-V167 HydrophobicContact CB-CB 4.11Å; A145-V167 HydrophobicContact CB-CG1 4.34Å; A145-V167 HydrophobicContact CB-CG2 4.06Å; A145-V167 WeakPolarHBondContact O-CG2 3.32Å; A145-I178 HydrophobicContact CB-CB 4.03Å; A145-I178 HydrophobicContact CB-CD1 3.8Å; A145-I178 HydrophobicContact CB-CG2 3.68Å; A145-V180 HydrophobicContact CB-CG2 4Å
146V92.5Very high89.7Confident12 Ų1215.9 Ų15.97%0.0739%0.087CC..Hα-helixtrans-67.8-40.2-179.9-177.70000109.9V143 Q144 L149 A150 L163 V180 G183 V185 V413V143-V146 HydrophobicContact CB-CG2 4.14Å; V143-V146 PolarHBondContact O-N 2.9Å; Q144-V146 VanDerWaalsContact C-N 3.35Å; Q144-V146 PolarHBondContact O-N 3.43Å; V146-L149 PolarHBondContact O-N 3.06Å; V146-A150 PolarHBondContact O-N 2.9Å; V146-L163 HydrophobicContact CG1-CD1 4.27Å; V146-L163 HydrophobicContact CG1-CD2 4Å; V146-V180 HydrophobicContact CG2-CG1 4.21Å; V146-G183 VanDerWaalsContact CG2-O 3.26Å; V146-G183 WeakPolarHBondContact CG2-O 3.33Å; V146-V185 HydrophobicContact CG2-CG2 4.48Å; V146-V413 HydrophobicContact CG1-CG1 4.11Å
147L92.8Very high88.7Confident2 Ų219 Ų191%0.0111%0.107CC..Hα-helixtrans-64.2-41.4174.9-60.3-173.7000112.3L111 T113 A142 V143 Q144 A145 L149 A150 A151 V377 L384L111-L147 HydrophobicContact CD2-CD1 4.02Å; T113-L147 HydrophobicContact CG2-CD1 3.81Å; A142-L147 HydrophobicContact CB-CD1 3.7Å; A142-L147 HydrophobicContact CB-CD2 3.84Å; A142-L147 HydrophobicContact CB-CG 3.86Å; V143-L147 PolarHBondContact O-N 2.95Å; Q144-L147 PolarHBondContact O-N 2.87Å; A145-L147 VanDerWaalsContact C-N 3.34Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 2.96Å; L147-A150 WeakPolarHBondContact O-CB 3.33Å; L147-A150 PolarHBondContact O-N 3.28Å; L147-A150 VanDerWaalsContact O-N 3.14Å; L147-A151 PolarHBondContact O-N 3.33Å; L147-V377 HydrophobicContact CB-CG1 4.26Å; L147-V377 WeakPolarHBondContact CB-O 3.3Å; L147-V377 HydrophobicContact CD1-CG1 3.88Å; L147-V377 WeakPolarHBondContact CD1-O 3.11Å; L147-L384 HydrophobicContact CD2-CD1 3.64Å
148A90.6Very high87.6Confident1 Ų123.2 Ų23.21%0.00813%0.127CC..Hα-helixtrans-60.9-38.8175.500000112.2Q144 A145 S152 V167Q144-A148 PolarHBondContact O-N 3Å; A145-A148 PolarHBondContact O-N 3.43Å; A148-S152 PolarHBondContact O-N 2.92Å; A148-V167 HydrophobicContact CB-CG1 3.93Å
149L89.1Confident86.6Confident0 Ų028.5 Ų28.50%016%0.164CC..Hα-helixtrans-64.8-44.1172.1-75.2164000111.7A145 V146 L147 A151 S152 L163 V167 V180 V320A145-L149 PolarHBondContact O-N 3.23Å; A145-L149 VanDerWaalsContact O-N 3.08Å; V146-L149 PolarHBondContact O-N 3.06Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 2.96Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.47Å; L149-S152 WeakPolarHBondContact O-CB 3.37Å; L149-S152 PolarHBondContact O-N 3.44Å; L149-S152 VanDerWaalsContact O-N 3.08Å; L149-S152 PolarHBondContact O-OG 3.37Å; L149-L163 HydrophobicContact CB-CD2 4.08Å; L149-V167 HydrophobicContact CD1-CG2 3.87Å; L149-V167 HydrophobicContact CD2-CG2 4.11Å; L149-V167 HydrophobicContact CG-CG2 3.6Å; L149-V180 HydrophobicContact CD1-CB 3.52Å; L149-V180 HydrophobicContact CD1-CG1 3.89Å; L149-V180 HydrophobicContact CD1-CG2 3.63Å; L149-V320 HydrophobicContact CD2-CB 4.27Å; L149-V320 HydrophobicContact CD2-CG2 3.68Å
150A88.8Confident85.6Confident1 Ų132.7 Ų32.71%0.00818%0.184CC..Hα-helixtrans-60.4-41177.200000112.1V146 L147 S152 W153 L384V146-A150 PolarHBondContact O-N 2.9Å; L147-A150 WeakPolarHBondContact O-CB 3.33Å; L147-A150 PolarHBondContact O-N 3.28Å; L147-A150 VanDerWaalsContact O-N 3.14Å; A150-S152 PolarHBondContact O-N 3.38Å; A150-W153 HydrophobicContact CB-CD2 4.38Å; A150-W153 HydrophobicContact CB-CE3 4.3Å; A150-W153 HydrophobicContact CB-CH2 4.29Å; A150-W153 HydrophobicContact CB-CZ2 4.36Å; A150-W153 HydrophobicContact CB-CZ3 4.25Å; A150-W153 WeakPolarHBondContact O-CB 3.3Å; A150-W153 PolarHBondContact O-N 2.9Å; A150-L384 HydrophobicContact CB-CD1 4.14Å; A150-L384 HydrophobicContact CB-CG 4.31Å
151A87.4Confident84.8Confident8 Ų835.4 Ų35.47%0.06619%0.194CC..Hα-helixtrans-58.7-32.4174.700000113.1L147 L149 W153 A376 F379L147-A151 PolarHBondContact O-N 3.33Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.47Å; A151-W153 PolarHBondContact O-N 3.24Å; A151-A376 HydrophobicContact CB-CB 4.22Å; A151-A376 WeakPolarHBondContact CB-O 3.39Å; A151-F379 HydrophobicContact CB-CD1 3.79Å
152S83.2Confident84.3Confident7 Ų737.2 Ų37.25%0.04921%0.207CC..Hα-helixtrans-68.2-18.1178.182.90000113.6A148 L149 A150 C154 K155A148-S152 PolarHBondContact O-N 2.92Å; L149-S152 WeakPolarHBondContact O-CB 3.37Å; L149-S152 PolarHBondContact O-N 3.44Å; L149-S152 VanDerWaalsContact O-N 3.08Å; L149-S152 PolarHBondContact O-OG 3.37Å; A150-S152 PolarHBondContact O-N 3.38Å; S152-C154 VanDerWaalsContact C-N 3.26Å; S152-C154 PolarHBondContact O-N 3.36Å; S152-K155 PolarHBondContact O-N 3.17Å
153W82.7Confident84Confident3 Ų337.3 Ų37.31%0.01121%0.207CC..G310 helixtrans-64.1-27-178.5-65.8-8.3000114.2A150 A151 K155 R156 R161 S162 L163 L384 T416A150-W153 HydrophobicContact CB-CD2 4.38Å; A150-W153 HydrophobicContact CB-CE3 4.3Å; A150-W153 HydrophobicContact CB-CH2 4.29Å; A150-W153 HydrophobicContact CB-CZ2 4.36Å; A150-W153 HydrophobicContact CB-CZ3 4.25Å; A150-W153 WeakPolarHBondContact O-CB 3.3Å; A150-W153 PolarHBondContact O-N 2.9Å; A151-W153 PolarHBondContact O-N 3.24Å; W153-K155 PolarHBondContact O-N 3.29Å; W153-R156 PolarHBondContact O-N 3.24Å; W153-R156 VanDerWaalsContact O-O 3.12Å; W153-R161 HydrophobicContact CB-CG 3.86Å; W153-R161 HydrophobicContact CD2-CB 4.3Å; W153-R161 HydrophobicContact CD2-CG 4.38Å; W153-R161 HydrophobicContact CG-CB 4.03Å; W153-R161 HydrophobicContact CG-CG 3.8Å; W153-S162 PolarHBondContact NE1-O 3.43Å; W153-S162 VanDerWaalsContact NE1-O 3.16Å; W153-L163 HydrophobicContact CH2-CD2 4.13Å; W153-L163 HydrophobicContact CH2-CG 4.4Å; W153-L163 HydrophobicContact CZ2-CD1 4.29Å; W153-L163 HydrophobicContact CZ2-CD2 3.37Å; W153-L163 HydrophobicContact CZ2-CG 3.66Å; W153-L384 HydrophobicContact CH2-CD2 4.45Å; W153-L384 HydrophobicContact CZ3-CD2 4.11Å; W153-T416 HydrophobicContact CH2-CG2 3.82Å; W153-T416 HydrophobicContact CZ2-CG2 3.43Å; W153-T416 VanDerWaalsContact CZ2-CG2 3.43Å
154C74Confident83.9Confident71 Ų7136.1 Ų36.148%0.4820%0.2SC..G310 helixtrans-58.8-22.4179.8-80.30000113.3S152 F379 M383S152-C154 VanDerWaalsContact C-N 3.26Å; S152-C154 PolarHBondContact O-N 3.36Å; C154-F379 HydrophobicContact CB-CE1 4.41Å; C154-F379 VanDerWaalsContact SG-CE1 3.57Å; C154-F379 VanDerWaalsContact SG-CZ 3.57Å; C154-M383 WeakPolarHBondContact SG-CE 3.44Å; C154-M383 PolarHBondContact SG-SD 3.1Å
155K70.2Confident83.8Confident84 Ų8435.3 Ų35.337%0.36520%0.196SC..G310 helixtrans-102.5-3.1179.6-58.8-167.5-172.4-170.20114S152 W153 Y369 N370S152-K155 PolarHBondContact O-N 3.17Å; W153-K155 PolarHBondContact O-N 3.29Å; K155-Y369 PolarHBondContact NZ-O 3.49Å; K155-N370 WeakPolarHBondContact CE-ND2 3.36Å; K155-N370 PolarHBondContact NZ-ND2 3.02Å; K155-N370 PolarHBondContact NZ-OD1 2.81Å
156R74.6Confident83.9Confident39 Ų3935.2 Ų35.215%0.14720%0.195CC..SBendtrans-110.5140.2-174.8-65.1-167.9-176.8-166.91.9110.6W153 E160 N318W153-R156 PolarHBondContact O-N 3.24Å; W153-R156 VanDerWaalsContact O-O 3.12Å; R156-E160 HydrophobicContact CB-CB 4.27Å; R156-N318 VanDerWaalsContact NH1-CG 3.35Å; R156-N318 PolarHBondContact NH1-OD1 3.38Å; R156-N318 VanDerWaalsContact NH1-OD1 3.16Å; R156-N318 PolarHBondContact NH2-OD1 3.21Å
157P76.3Confident83.9Confident65 Ų6534.7 Ų34.742%0.42219%0.192SC..  trans-58.2152.2168.527.6-33.4000109.4S159 E160 R161P157-S159 PolarHBondContact O-N 3.04Å; P157-E160 HydrophobicContact CG-CB 4.02Å; P157-E160 VanDerWaalsContact CG-CD 3.48Å; P157-E160 HydrophobicContact CG-CG 3.81Å; P157-E160 PolarHBondContact O-N 3.22Å; P157-R161 PolarHBondContact O-N 3.36Å
158L75.3Confident83.9Confident124 Ų12434.6 Ų34.665%0.64919%0.192SC*.G310 helixtrans-51-35.2-178-79155000112.9E160 R161 Y422L158-E160 VanDerWaalsContact C-N 3.25Å; L158-E160 PolarHBondContact O-N 3.08Å; L158-R161 PolarHBondContact O-N 3.27Å; L158-Y422 HydrophobicContact CD2-CD2 4.3Å
159S75Confident83.9Confident111 Ų11135.5 Ų35.578%0.77620%0.196SC*.G310 helixtrans-67-19.6178.653.90000114.9P157P157-S159 PolarHBondContact O-N 3.04Å
160E76.5Confident84.1Confident89 Ų8935.5 Ų35.542%0.41620%0.196SC..G310 helixtrans-110.23.2-177.1-67.2175.9-15900112.6R156 P157 L158 S162R156-E160 HydrophobicContact CB-CB 4.27Å; P157-E160 HydrophobicContact CG-CB 4.02Å; P157-E160 VanDerWaalsContact CG-CD 3.48Å; P157-E160 HydrophobicContact CG-CG 3.81Å; P157-E160 PolarHBondContact O-N 3.22Å; L158-E160 VanDerWaalsContact C-N 3.25Å; L158-E160 PolarHBondContact O-N 3.08Å; E160-S162 PolarHBondContact O-N 2.87Å
161R82.4Confident84.1Confident69 Ų6936.6 Ų36.626%0.2621%0.207SC..  trans-70.8119.7173.9-66.7-176-177.9-176.60.5108.6W153 P157 L158W153-R161 HydrophobicContact CB-CG 3.86Å; W153-R161 HydrophobicContact CD2-CB 4.3Å; W153-R161 HydrophobicContact CD2-CG 4.38Å; W153-R161 HydrophobicContact CG-CB 4.03Å; W153-R161 HydrophobicContact CG-CG 3.8Å; P157-R161 PolarHBondContact O-N 3.36Å; L158-R161 PolarHBondContact O-N 3.27Å
162S85.3Confident84.3Confident41 Ų4138 Ų3829%0.28721%0.214SC..  trans-139.8146.4180-175.80000109.4W153 E160 T164W153-S162 PolarHBondContact NE1-O 3.43Å; W153-S162 VanDerWaalsContact NE1-O 3.16Å; E160-S162 PolarHBondContact O-N 2.87Å; S162-T164 VanDerWaalsContact C-N 3.27Å; S162-T164 WeakPolarHBondContact OG-CB 3.26Å; S162-T164 PolarHBondContact OG-N 2.88Å
163L89.4Confident84.5Confident4 Ų438.2 Ų38.22%0.02122%0.218CC..SBendtrans-95.217.8164.4-66.8174.4000111.7V146 L149 W153 V180 G183 V413 T416V146-L163 HydrophobicContact CG1-CD1 4.27Å; V146-L163 HydrophobicContact CG1-CD2 4Å; L149-L163 HydrophobicContact CB-CD2 4.08Å; W153-L163 HydrophobicContact CH2-CD2 4.13Å; W153-L163 HydrophobicContact CH2-CG 4.4Å; W153-L163 HydrophobicContact CZ2-CD1 4.29Å; W153-L163 HydrophobicContact CZ2-CD2 3.37Å; W153-L163 HydrophobicContact CZ2-CG 3.66Å; L163-V180 VanDerWaalsContact O-CG1 3.23Å; L163-V180 WeakPolarHBondContact O-CG1 3.39Å; L163-G183 VanDerWaalsContact CB-N 3.33Å; L163-G183 PolarHBondContact O-N 3.31Å; L163-V413 HydrophobicContact CD1-CG1 3.63Å; L163-T416 HydrophobicContact CB-CG2 4.33Å; L163-T416 HydrophobicContact CD1-CG2 3.7Å; L163-T416 HydrophobicContact CG-CG2 3.54Å
164T91.3Very high84.7Confident9 Ų939.2 Ų39.26%0.05522%0.224CC..  trans-103.7117.1172.1-60.60000108.9S162 V180 D182 L315 N318S162-T164 VanDerWaalsContact C-N 3.27Å; S162-T164 WeakPolarHBondContact OG-CB 3.26Å; S162-T164 PolarHBondContact OG-N 2.88Å; T164-V180 CarbonylContact C-O 3.53Å; T164-V180 VanDerWaalsContact CA-O 3.26Å; T164-V180 WeakPolarHBondContact CA-O 3.07Å; T164-D182 PolarHBondContact OG1-N 2.79Å; T164-D182 PolarHBondContact OG1-OD1 2.87Å; T164-D182 VanDerWaalsContact OG1-OD1 3.08Å; T164-L315 HydrophobicContact CG2-CD2 4.46Å; T164-N318 PolarHBondContact O-ND2 2.75Å
165G91.3Very high85.6Confident0 Ų035.8 Ų35.80%020%0.201CC..EExtended strand (participates in β ladder)trans-179.9165.8-177.800000113.3V180 L315 N318G165-V180 PolarHBondContact N-O 3.16Å; G165-V180 PolarHBondContact O-N 2.62Å; G165-L315 VanDerWaalsContact O-CD2 3.3Å; G165-L315 WeakPolarHBondContact O-CD2 3.34Å; G165-N318 CarbonylContact C-O 3.47Å; G165-N318 WeakPolarHBondContact CA-O 3.25Å
166M93.6Very high86.7Confident0 Ų032.5 Ų32.50%019%0.187CC..EExtended strand (participates in β ladder)trans-96.3116172.7174.757.474.900109.1C177 I178 P179 I300 A303 I304 N318 I319 V320M166-C177 HydrophobicContact SD-CB 4.1Å; M166-I178 VanDerWaalsContact SD-C 3.57Å; M166-I178 PolarHBondContact SD-N 2.96Å; M166-P179 HydrophobicContact CE-CB 3.77Å; M166-P179 HydrophobicContact CE-CG 4.16Å; M166-I300 HydrophobicContact CG-CG2 4.07Å; M166-A303 HydrophobicContact CE-CB 3.59Å; M166-I304 HydrophobicContact CB-CD1 4.25Å; M166-I304 HydrophobicContact CB-CG1 4.43Å; M166-I304 HydrophobicContact CE-CD1 4.35Å; M166-I304 HydrophobicContact CE-CG1 3.45Å; M166-I304 VanDerWaalsContact CE-CG1 3.45Å; M166-I304 HydrophobicContact CG-CD1 4.38Å; M166-I304 HydrophobicContact CG-CG1 4.44Å; M166-N318 PolarHBondContact N-O 3.45Å; M166-I319 HydrophobicContact CB-CG1 4.25Å; M166-I319 HydrophobicContact CB-CG2 4.35Å; M166-I319 HydrophobicContact CG-CG2 4.26Å; M166-I319 CarbonylContact O-C 3.51Å; M166-I319 VanDerWaalsContact O-CA 3.27Å; M166-I319 WeakPolarHBondContact O-CA 3.4Å; M166-V320 PolarHBondContact O-N 3.02Å
167V92.6Very high87.6Confident0 Ų030.6 Ų30.60%018%0.18CC..EExtended strand (participates in β ladder)trans-95.8125.6176.9-176.60000109.6A145 A148 L149 D169 C177 I178 V180 V320A145-V167 HydrophobicContact CB-CB 4.11Å; A145-V167 HydrophobicContact CB-CG1 4.34Å; A145-V167 HydrophobicContact CB-CG2 4.06Å; A145-V167 WeakPolarHBondContact O-CG2 3.32Å; A148-V167 HydrophobicContact CB-CG1 3.93Å; L149-V167 HydrophobicContact CD1-CG2 3.87Å; L149-V167 HydrophobicContact CD2-CG2 4.11Å; L149-V167 HydrophobicContact CG-CG2 3.6Å; V167-D169 HydrophobicContact CG1-CB 4.38Å; V167-C177 CarbonylContact O-C 3.58Å; V167-C177 WeakPolarHBondContact O-CA 3.45Å; V167-I178 HydrophobicContact CB-CB 4.36Å; V167-I178 PolarHBondContact N-O 2.82Å; V167-I178 PolarHBondContact O-N 2.85Å; V167-V180 HydrophobicContact CG2-CG2 4.3Å; V167-V320 CarbonylContact C-O 3.46Å; V167-V320 WeakPolarHBondContact CA-O 3.44Å
168V92.9Very high88.6Confident0 Ų027.5 Ų27.50%016%0.16CC..EExtended strand (participates in β ladder)trans-106.396.2171.9-176.50000106.7T175 H176 I296 I300 I319 V320 L321 S322V168-T175 HydrophobicContact CG1-CG2 4.5Å; V168-H176 CarbonylContact C-O 3.59Å; V168-H176 WeakPolarHBondContact CA-O 3.44Å; V168-I296 HydrophobicContact CG1-CD1 3.72Å; V168-I296 HydrophobicContact CG1-CG1 4.43Å; V168-I300 HydrophobicContact CG2-CD1 3.52Å; V168-I300 HydrophobicContact CG2-CG1 3.85Å; V168-I319 HydrophobicContact CG2-CG2 3.89Å; V168-V320 PolarHBondContact N-O 3.24Å; V168-L321 HydrophobicContact CB-CD2 3.87Å; V168-L321 HydrophobicContact CG1-CD2 4.3Å; V168-L321 HydrophobicContact CG2-CD2 4.31Å; V168-S322 PolarHBondContact O-N 3.31Å
169D90.7Very high89.6Confident21 Ų2121.6 Ų21.611%0.11213%0.129CC..EExtended strand (participates in β ladder)trans-98.3113-180-175.143.7000109.8V167 T175 H176 S322V167-D169 HydrophobicContact CG1-CB 4.38Å; D169-T175 CarbonylContact O-C 3.43Å; D169-T175 VanDerWaalsContact O-CA 3.25Å; D169-T175 WeakPolarHBondContact O-CA 3.38Å; D169-H176 PolarHBondContact N-O 2.86Å; D169-H176 PolarHBondContact O-N 3.23Å; D169-S322 WeakPolarHBondContact CA-O 3.36Å; D169-S322 VanDerWaalsContact OD1-CB 3.29Å; D169-S322 WeakPolarHBondContact OD1-CB 3.3Å; D169-S322 PolarHBondContact OD1-OG 2.84Å
170S91.8Very high90.5Very high0 Ų016.3 Ų16.30%09%0.092CC..EExtended strand (participates in β ladder)trans-122.497.8-176.4-167.90000110.4T175 F282 S322 G323 G324 S325S170-T175 WeakPolarHBondContact CB-OG1 3.33Å; S170-T175 PolarHBondContact OG-OG1 3.01Å; S170-F282 WeakPolarHBondContact OG-CZ 3.22Å; S170-S322 PolarHBondContact N-O 3.14Å; S170-G323 CarbonylContact O-C 3.54Å; S170-G323 VanDerWaalsContact O-C 3.24Å; S170-G323 WeakPolarHBondContact O-CA 3.48Å; S170-G324 PolarHBondContact O-N 2.91Å; S170-S325 WeakPolarHBondContact O-CB 3.47Å; S170-S325 PolarHBondContact O-N 2.87Å; S170-S325 VanDerWaalsContact OG-CB 3.3Å; S170-S325 WeakPolarHBondContact OG-CB 3.4Å
171G90.2Very high91.3Very high23 Ų2312.9 Ų12.924%0.2378%0.079CC..  trans-94.2-156.6-179.800000113.3V174 G197 S325G171-V174 PolarHBondContact N-O 3.48Å; G171-V174 VanDerWaalsContact N-O 3.13Å; G171-G197 PolarHBondContact O-N 2.86Å; G171-S325 PolarHBondContact O-OG 3.37Å
172D90.7Very high91.7Very high37 Ų3715.1 Ų15.120%0.19810%0.095CC..SBendtrans-79-35.4174-168.658.6000112.3A196 G197 R198D172-A196 VanDerWaalsContact O-CB 3.3Å; D172-A196 WeakPolarHBondContact O-CB 3.29Å; D172-G197 PolarHBondContact O-N 2.88Å; D172-R198 VanDerWaalsContact O-CB 3.22Å; D172-R198 WeakPolarHBondContact O-CB 3.38Å; D172-R198 PolarHBondContact O-N 3.18Å; D172-R198 PolarHBondContact OD1-N 3.16Å; D172-R198 IonicContact OD2-CZ 2.68Å; D172-R198 IonicContact OD2-NE 3.58Å; D172-R198 PolarHBondContact OD2-NE 3.42Å; D172-R198 IonicContact OD2-NH2 3.16Å; D172-R198 PolarHBondContact OD2-NH2 2.89Å
173G87.3Confident91.9Very high13 Ų1313.2 Ų13.213%0.1348%0.083CC..SBendtrans-102.7-32.6-171.400000116.3H80 A196H80-G173 PolarHBondContact ND1-O 3Å; G173-A196 VanDerWaalsContact C-CB 3.43Å
174V86.9Confident92Very high23 Ų2319.5 Ų19.514%0.13911%0.107CC..  trans-146.8153.3-179.5-1660000109.9H80 G171 H176H80-V174 HydrophobicContact CB-CG2 3.58Å; G171-V174 PolarHBondContact N-O 3.48Å; G171-V174 VanDerWaalsContact N-O 3.13Å; V174-H176 VanDerWaalsContact CG1-CE1 3.41Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.48Å; V174-H176 WeakPolarHBondContact CG1-NE2 3.31Å
175T93Very high92.1Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-113.4129.4163.7-60.40000110.6V168 D169 S170 I193 I195 F282 I296V168-T175 HydrophobicContact CG1-CG2 4.5Å; D169-T175 CarbonylContact O-C 3.43Å; D169-T175 VanDerWaalsContact O-CA 3.25Å; D169-T175 WeakPolarHBondContact O-CA 3.38Å; S170-T175 WeakPolarHBondContact CB-OG1 3.33Å; S170-T175 PolarHBondContact OG-OG1 3.01Å; T175-I193 HydrophobicContact CG2-CB 4.35Å; T175-I193 HydrophobicContact CG2-CD1 4.12Å; T175-I193 PolarHBondContact O-N 3.24Å; T175-I195 VanDerWaalsContact CB-O 3.23Å; T175-I195 WeakPolarHBondContact CB-O 3.47Å; T175-I195 PolarHBondContact OG1-O 2.88Å; T175-F282 HydrophobicContact CG2-CE1 4.27Å; T175-F282 WeakPolarHBondContact OG1-CE1 3.28Å; T175-I296 HydrophobicContact CG2-CD1 4.18Å
176H93.3Very high92.2Very high14 Ų1422.4 Ų22.47%0.06512%0.123CC..EExtended strand (participates in β ladder)trans-120.4136.1-177.7-63.5108.3000111.4V168 D169 V174 I178 H192V168-H176 CarbonylContact C-O 3.59Å; V168-H176 WeakPolarHBondContact CA-O 3.44Å; D169-H176 PolarHBondContact N-O 2.86Å; D169-H176 PolarHBondContact O-N 3.23Å; V174-H176 VanDerWaalsContact CG1-CE1 3.41Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.48Å; V174-H176 WeakPolarHBondContact CG1-NE2 3.31Å; H176-I178 HydrophobicContact CB-CD1 3.76Å; H176-I178 HydrophobicContact CB-CG1 3.71Å; H176-H192 AromaticContact CD2-CE1 3.23Å; H176-H192 PolarHBondContact CD2-CE1 3.04Å; H176-H192 AromaticContact CD2-CG 3.97Å; H176-H192 AromaticContact CD2-ND1 2.99Å; H176-H192 PolarHBondContact CD2-ND1 2.88Å; H176-H192 AromaticContact NE2-CE1 3.23Å; H176-H192 PolarHBondContact NE2-CE1 3.39Å; H176-H192 AromaticContact NE2-ND1 2.99Å; H176-H192 PolarHBondContact NE2-ND1 3.49Å
177C94.7Very high92.1Very high0 Ų024.3 Ų24.30%014%0.143CC..EExtended strand (participates in β ladder)trans-106.3111166.2-61.90000108.4M166 V167 I190 K191 V299 A303M166-C177 HydrophobicContact SD-CB 4.1Å; V167-C177 CarbonylContact O-C 3.58Å; V167-C177 WeakPolarHBondContact O-CA 3.45Å; C177-I190 WeakPolarHBondContact O-CA 3.36Å; C177-K191 HydrophobicContact CB-CB 4.3Å; C177-K191 PolarHBondContact N-O 2.93Å; C177-K191 PolarHBondContact O-N 2.91Å; C177-V299 HydrophobicContact CB-CG1 4.38Å; C177-A303 HydrophobicContact CB-CB 4.5Å
178I95.5Very high92.2Very high0 Ų029.6 Ų29.60%018%0.179CC..EExtended strand (participates in β ladder)trans-121.8102.8-166.2-49.9165.4000109.1P116 A145 M166 V167 H176 V180 V185 I190P116-I178 HydrophobicContact CB-CD1 4.03Å; P116-I178 HydrophobicContact CB-CG1 4.37Å; P116-I178 HydrophobicContact CB-CG2 4.11Å; P116-I178 HydrophobicContact CG-CD1 3.57Å; P116-I178 HydrophobicContact CG-CG1 4Å; A145-I178 HydrophobicContact CB-CB 4.03Å; A145-I178 HydrophobicContact CB-CD1 3.8Å; A145-I178 HydrophobicContact CB-CG2 3.68Å; M166-I178 VanDerWaalsContact SD-C 3.57Å; M166-I178 PolarHBondContact SD-N 2.96Å; V167-I178 HydrophobicContact CB-CB 4.36Å; V167-I178 PolarHBondContact N-O 2.82Å; V167-I178 PolarHBondContact O-N 2.85Å; H176-I178 HydrophobicContact CB-CD1 3.76Å; H176-I178 HydrophobicContact CB-CG1 3.71Å; I178-V180 HydrophobicContact CG2-CG2 4.31Å; I178-V185 HydrophobicContact CG2-CB 4.48Å; I178-V185 HydrophobicContact CG2-CG1 3.51Å; I178-V185 HydrophobicContact CG2-CG2 4.16Å; I178-I190 HydrophobicContact CG2-CG1 4.32Å
179P96.2Very high92.4Very high0 Ų029.9 Ų29.90%018%0.181CC..EExtended strand (participates in β ladder)trans-74128171.525.6-27.8000110.7M166 I186 C189 C307 L315M166-P179 HydrophobicContact CE-CB 3.77Å; M166-P179 HydrophobicContact CE-CG 4.16Å; P179-I186 HydrophobicContact CB-CB 4.39Å; P179-I186 HydrophobicContact CB-CD1 4.44Å; P179-I186 HydrophobicContact CG-CB 4.1Å; P179-I186 PolarHBondContact O-N 2.85Å; P179-C189 HydrophobicContact CG-CB 3.65Å; P179-C307 WeakPolarHBondContact CB-SG 3.49Å; P179-L315 HydrophobicContact CB-CD1 4.06Å; P179-L315 HydrophobicContact CB-CD2 4.21Å
180V94.6Very high92.6Very high0 Ų029.6 Ų29.60%018%0.18CC..EExtended strand (participates in β ladder)trans-120134.7175.9-167.30000108.6A145 V146 L149 L163 T164 G165 V167 I178 Y184 V185 L315A145-V180 HydrophobicContact CB-CG2 4Å; V146-V180 HydrophobicContact CG2-CG1 4.21Å; L149-V180 HydrophobicContact CD1-CB 3.52Å; L149-V180 HydrophobicContact CD1-CG1 3.89Å; L149-V180 HydrophobicContact CD1-CG2 3.63Å; L163-V180 VanDerWaalsContact O-CG1 3.23Å; L163-V180 WeakPolarHBondContact O-CG1 3.39Å; T164-V180 CarbonylContact C-O 3.53Å; T164-V180 VanDerWaalsContact CA-O 3.26Å; T164-V180 WeakPolarHBondContact CA-O 3.07Å; G165-V180 PolarHBondContact N-O 3.16Å; G165-V180 PolarHBondContact O-N 2.62Å; V167-V180 HydrophobicContact CG2-CG2 4.3Å; I178-V180 HydrophobicContact CG2-CG2 4.31Å; V180-Y184 WeakPolarHBondContact CA-O 3.37Å; V180-Y184 WeakPolarHBondContact CG1-O 3.07Å; V180-V185 HydrophobicContact CG2-CG2 4.25Å; V180-L315 WeakPolarHBondContact O-CD2 3.38Å
181A94.1Very high92.7Very high17 Ų1732 Ų3214%0.1419%0.191CC..EExtended strand (participates in β ladder)trans-127.4121.7173.900000109.5G183 Y184 I186 V311A181-G183 PolarHBondContact O-N 3.49Å; A181-G183 VanDerWaalsContact O-N 3.08Å; A181-Y184 PolarHBondContact N-O 2.98Å; A181-Y184 PolarHBondContact O-N 3.44Å; A181-I186 HydrophobicContact CB-CD1 4Å; A181-I186 HydrophobicContact CB-CG1 4.27Å; A181-V311 HydrophobicContact CB-CG1 4.15Å
182D90.6Very high92.8Very high115 Ų11535.1 Ų35.162%0.61520%0.198SC*.THydrogen-bonded Turntrans50.135179.9-58.9-35000113.6T164 Y184T164-D182 PolarHBondContact OG1-N 2.79Å; T164-D182 PolarHBondContact OG1-OD1 2.87Å; T164-D182 VanDerWaalsContact OG1-OD1 3.08Å; D182-Y184 VanDerWaalsContact C-N 3.34Å
183G89.1Confident92.9Very high2 Ų233.3 Ų33.32%0.02119%0.189CC..THydrogen-bonded Turntrans90.1-12.1-178.800000115.1V146 L163 A181 V413V146-G183 VanDerWaalsContact CG2-O 3.26Å; V146-G183 WeakPolarHBondContact CG2-O 3.33Å; L163-G183 VanDerWaalsContact CB-N 3.33Å; L163-G183 PolarHBondContact O-N 3.31Å; A181-G183 PolarHBondContact O-N 3.49Å; A181-G183 VanDerWaalsContact O-N 3.08Å; G183-V413 WeakPolarHBondContact O-CG2 3.46Å
184Y91Very high93.1Very high136 Ų13635.6 Ų35.653%0.53320%0.201SC..EExtended strand (participates in β ladder)trans-95.9131.8177.3-63-82.4000111.2V180 A181 D182V180-Y184 WeakPolarHBondContact CA-O 3.37Å; V180-Y184 WeakPolarHBondContact CG1-O 3.07Å; A181-Y184 PolarHBondContact N-O 2.98Å; A181-Y184 PolarHBondContact O-N 3.44Å; D182-Y184 VanDerWaalsContact C-N 3.34Å
185V93.3Very high93.5Very high40 Ų4034.6 Ų34.624%0.24220%0.195CC..EExtended strand (participates in β ladder)trans-74.8129.2176.2178.30000110P116 V143 V146 I178 V180 G187 I190P116-V185 HydrophobicContact CB-CG1 4.4Å; V143-V185 HydrophobicContact CG1-CG2 3.87Å; V146-V185 HydrophobicContact CG2-CG2 4.48Å; I178-V185 HydrophobicContact CG2-CB 4.48Å; I178-V185 HydrophobicContact CG2-CG1 3.51Å; I178-V185 HydrophobicContact CG2-CG2 4.16Å; V180-V185 HydrophobicContact CG2-CG2 4.25Å; V185-G187 VanDerWaalsContact C-N 3.26Å; V185-G187 PolarHBondContact O-N 3.08Å; V185-I190 HydrophobicContact CG1-CD1 3.73Å; V185-I190 HydrophobicContact CG1-CG1 4.12Å
186I94.4Very high93.5Very high30 Ų3034.6 Ų34.615%0.15420%0.195CC..  trans-81.778.5173.3-50177.5000108.1P179 A181 S188 C189 C307 V311P179-I186 HydrophobicContact CB-CB 4.39Å; P179-I186 HydrophobicContact CB-CD1 4.44Å; P179-I186 HydrophobicContact CG-CB 4.1Å; P179-I186 PolarHBondContact O-N 2.85Å; A181-I186 HydrophobicContact CB-CD1 4Å; A181-I186 HydrophobicContact CB-CG1 4.27Å; I186-S188 PolarHBondContact O-N 3.49Å; I186-S188 VanDerWaalsContact O-N 3.14Å; I186-C189 HydrophobicContact CG2-CB 4.02Å; I186-C189 PolarHBondContact O-N 3.42Å; I186-C307 HydrophobicContact CD1-CB 4.3Å; I186-V311 HydrophobicContact CD1-CG2 4.13Å
187G92.3Very high93.5Very high39 Ų3934 Ų3440%0.40219%0.192SC..G310 helixtrans-53.8-36.1-170.900000114.8V185 C189 I190V185-G187 VanDerWaalsContact C-N 3.26Å; V185-G187 PolarHBondContact O-N 3.08Å; G187-C189 PolarHBondContact O-N 3.19Å; G187-I190 PolarHBondContact O-N 3.45Å
188S94.1Very high93.5Very high111 Ų11138.4 Ų38.478%0.77621%0.209SC*.G310 helixtrans-66.4-1617958.80000114.6I186I186-S188 PolarHBondContact O-N 3.49Å; I186-S188 VanDerWaalsContact O-N 3.14Å
189C95.7Very high93.4Very high6 Ų641.2 Ų41.24%0.04122%0.224CC..G310 helixtrans-110.24.2-176.8-61.80000113P179 I186 G187 R306P179-C189 HydrophobicContact CG-CB 3.65Å; I186-C189 HydrophobicContact CG2-CB 4.02Å; I186-C189 PolarHBondContact O-N 3.42Å; G187-C189 PolarHBondContact O-N 3.19Å; C189-R306 HydrophobicContact CB-CB 4.41Å; C189-R306 VanDerWaalsContact SG-C 3.57Å; C189-R306 PolarHBondContact SG-O 2.93Å
190I95.4Very high93.4Very high16 Ų1641.2 Ų41.28%0.08222%0.224CC..  trans-64.3138.9175-63.6170.4000109.5P116 L117 C177 I178 V185 G187P116-I190 HydrophobicContact CB-CD1 3.81Å; P116-I190 HydrophobicContact CG-CD1 4.26Å; L117-I190 HydrophobicContact CD2-CD1 3.7Å; L117-I190 HydrophobicContact CG-CD1 3.99Å; C177-I190 WeakPolarHBondContact O-CA 3.36Å; I178-I190 HydrophobicContact CG2-CG1 4.32Å; V185-I190 HydrophobicContact CG1-CD1 3.73Å; V185-I190 HydrophobicContact CG1-CG1 4.12Å; G187-I190 PolarHBondContact O-N 3.45Å
191K95.1Very high93.5Very high51 Ų5141.5 Ų41.522%0.22223%0.226CC..EExtended strand (participates in β ladder)trans-123.6140.6173-62.8-65.7-175.5148.30111.1C177 V299 D302 A303C177-K191 HydrophobicContact CB-CB 4.3Å; C177-K191 PolarHBondContact N-O 2.93Å; C177-K191 PolarHBondContact O-N 2.91Å; K191-V299 HydrophobicContact CB-CG1 3.43Å; K191-V299 VanDerWaalsContact CB-CG1 3.43Å; K191-V299 HydrophobicContact CG-CG1 4.09Å; K191-D302 WeakPolarHBondContact CE-OD2 3.33Å; K191-D302 IonicContact NZ-OD2 3.33Å; K191-D302 PolarHBondContact NZ-OD2 2.93Å; K191-A303 HydrophobicContact CG-CB 3.83Å
192H91.8Very high93.6Very high87 Ų8745.2 Ų45.240%0.40324%0.239SC..EExtended strand (participates in β ladder)trans-105.7140.4175.2-59.1-95.5000109.3L117 H176L117-H192 WeakPolarHBondContact CD1-NE2 3.45Å; H176-H192 AromaticContact CD2-CE1 3.23Å; H176-H192 PolarHBondContact CD2-CE1 3.04Å; H176-H192 AromaticContact CD2-CG 3.97Å; H176-H192 AromaticContact CD2-ND1 2.99Å; H176-H192 PolarHBondContact CD2-ND1 2.88Å; H176-H192 AromaticContact NE2-CE1 3.23Å; H176-H192 PolarHBondContact NE2-CE1 3.39Å; H176-H192 AromaticContact NE2-ND1 2.99Å; H176-H192 PolarHBondContact NE2-ND1 3.49Å
193I93.3Very high93.9Very high0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-115.8122.8172.5-53.6179.8000106.6T175 I195 Y292 I296 V299T175-I193 HydrophobicContact CG2-CB 4.35Å; T175-I193 HydrophobicContact CG2-CD1 4.12Å; T175-I193 PolarHBondContact O-N 3.24Å; I193-I195 HydrophobicContact CG2-CB 4.02Å; I193-I195 HydrophobicContact CG2-CG1 4.43Å; I193-I195 PolarHBondContact O-N 3.11Å; I193-Y292 HydrophobicContact CG2-CE1 3.84Å; I193-I296 HydrophobicContact CD1-CB 3.88Å; I193-I296 HydrophobicContact CD1-CD1 4.07Å; I193-I296 HydrophobicContact CD1-CG1 3.56Å; I193-V299 HydrophobicContact CD1-CB 4.02Å; I193-V299 HydrophobicContact CD1-CG1 4Å; I193-V299 HydrophobicContact CD1-CG2 4.11Å; I193-V299 HydrophobicContact CG1-CB 4.29Å; I193-V299 HydrophobicContact CG1-CG1 3.9Å; I193-V299 HydrophobicContact CG1-CG2 4.11Å
194P91.7Very high94.3Very high60 Ų6041.3 Ų41.339%0.3922%0.216SC..SBendtrans-78.443.8-179.736.3-37.2000111.3Y292P194-Y292 VanDerWaalsContact CD-CE2 3.48Å; P194-Y292 HydrophobicContact CG-CD1 3.97Å; P194-Y292 HydrophobicContact CG-CD2 3.54Å; P194-Y292 HydrophobicContact CG-CE1 4.41Å; P194-Y292 HydrophobicContact CG-CE2 4.02Å; P194-Y292 HydrophobicContact CG-CG 3.49Å; P194-Y292 VanDerWaalsContact CG-CG 3.49Å
195I93.5Very high94.5Very high3 Ų335.9 Ų35.92%0.01520%0.195CC..  trans-141.9123.8177.7-65.1-172.8000107.5T175 I193 D199 I281 F282 P285T175-I195 VanDerWaalsContact CB-O 3.23Å; T175-I195 WeakPolarHBondContact CB-O 3.47Å; T175-I195 PolarHBondContact OG1-O 2.88Å; I193-I195 HydrophobicContact CG2-CB 4.02Å; I193-I195 HydrophobicContact CG2-CG1 4.43Å; I193-I195 PolarHBondContact O-N 3.11Å; I195-D199 WeakPolarHBondContact CA-OD2 3.47Å; I195-I281 HydrophobicContact CD1-CB 4.34Å; I195-I281 HydrophobicContact CD1-CG1 4.34Å; I195-I281 WeakPolarHBondContact CD1-O 3.42Å; I195-I281 HydrophobicContact CG2-CD1 3.85Å; I195-I281 HydrophobicContact CG2-CG1 3.75Å; I195-F282 HydrophobicContact CB-CE1 4.47Å; I195-F282 HydrophobicContact CG2-CD1 3.92Å; I195-F282 HydrophobicContact CG2-CE1 3.85Å; I195-F282 HydrophobicContact CG2-CG 4.41Å; I195-F282 HydrophobicContact CG2-CZ 4.33Å; I195-P285 HydrophobicContact CD1-CB 3.45Å; I195-P285 VanDerWaalsContact CD1-CB 3.45Å; I195-P285 HydrophobicContact CD1-CG 3.92Å
196A93.8Very high94.7Very high0 Ų036 Ų360%020%0.201CC..  trans-143.2-170.5177.700000111D172 G173 R198 D199 I200D172-A196 VanDerWaalsContact O-CB 3.3Å; D172-A196 WeakPolarHBondContact O-CB 3.29Å; G173-A196 VanDerWaalsContact C-CB 3.43Å; A196-R198 PolarHBondContact O-N 2.74Å; A196-D199 PolarHBondContact N-OD2 2.91Å; A196-D199 PolarHBondContact O-N 2.73Å; A196-I200 WeakPolarHBondContact O-CG1 3.33Å; A196-I200 PolarHBondContact O-N 3.37Å
197G93.8Very high94.7Very high0 Ų036.1 Ų36.10%020%0.202CC..Hα-helixtrans-58.6-31.3-176.900000113.9G171 D172 T201 K228 S325G171-G197 PolarHBondContact O-N 2.86Å; D172-G197 PolarHBondContact O-N 2.88Å; G197-T201 PolarHBondContact O-N 2.87Å; G197-T201 PolarHBondContact O-OG1 3.09Å; G197-K228 PolarHBondContact O-NZ 3.14Å; G197-S325 WeakPolarHBondContact CA-OG 3.29Å; G197-S325 PolarHBondContact N-OG 2.88Å
198R93.3Very high94.9Very high94 Ų9434.4 Ų34.436%0.35518%0.183SC..Hα-helixtrans-70.3-45.1177.6-174.3169.7-60.5168.63.8112.4D172 A196 I200 T201 F202D172-R198 VanDerWaalsContact O-CB 3.22Å; D172-R198 WeakPolarHBondContact O-CB 3.38Å; D172-R198 PolarHBondContact O-N 3.18Å; D172-R198 PolarHBondContact OD1-N 3.16Å; D172-R198 IonicContact OD2-CZ 2.68Å; D172-R198 IonicContact OD2-NE 3.58Å; D172-R198 PolarHBondContact OD2-NE 3.42Å; D172-R198 IonicContact OD2-NH2 3.16Å; D172-R198 PolarHBondContact OD2-NH2 2.89Å; A196-R198 PolarHBondContact O-N 2.74Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-I200 PolarHBondContact O-N 3.42Å; R198-T201 WeakPolarHBondContact O-CA 3.46Å; R198-T201 WeakPolarHBondContact O-CB 3.3Å; R198-T201 PolarHBondContact O-N 2.89Å; R198-F202 HydrophobicContact CG-CD2 3.92Å; R198-F202 HydrophobicContact CG-CE2 3.39Å; R198-F202 HydrophobicContact CG-CZ 3.82Å; R198-F202 PolarHBondContact O-N 3.32Å
199D95Very high94.8Very high58 Ų5836.7 Ų36.731%0.3118%0.175SC..Hα-helixtrans-62.3-41.3179.5-51.3-67.5000111.3I195 A196 T201 F202 F203 I281I195-D199 WeakPolarHBondContact CA-OD2 3.47Å; A196-D199 PolarHBondContact N-OD2 2.91Å; A196-D199 PolarHBondContact O-N 2.73Å; D199-T201 VanDerWaalsContact C-N 3.27Å; D199-T201 PolarHBondContact O-N 3.18Å; D199-F202 PolarHBondContact O-N 2.78Å; D199-F203 WeakPolarHBondContact O-CB 3.42Å; D199-F203 PolarHBondContact O-N 3.45Å; D199-I281 HydrophobicContact CB-CD1 4.43Å
200I96.6Very high94.7Very high0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-60.4-41173.5-60.2166.7000110.9A196 R198 F203 I204 K228 I281 F282 F328A196-I200 WeakPolarHBondContact O-CG1 3.33Å; A196-I200 PolarHBondContact O-N 3.37Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-I200 PolarHBondContact O-N 3.42Å; I200-F203 PolarHBondContact O-N 3.44Å; I200-I204 HydrophobicContact CG2-CD1 3.76Å; I200-I204 HydrophobicContact CG2-CG1 4.43Å; I200-I204 WeakPolarHBondContact O-CB 3.25Å; I200-I204 VanDerWaalsContact O-CG1 3.26Å; I200-I204 WeakPolarHBondContact O-CG1 3.23Å; I200-I204 PolarHBondContact O-N 2.7Å; I200-K228 HydrophobicContact CB-CD 4.13Å; I200-K228 HydrophobicContact CG2-CD 3.75Å; I200-K228 HydrophobicContact CG2-CG 3.92Å; I200-I281 HydrophobicContact CB-CD1 4.23Å; I200-I281 HydrophobicContact CG1-CD1 3.58Å; I200-I281 HydrophobicContact CG1-CG1 3.95Å; I200-F282 HydrophobicContact CD1-CD2 4Å; I200-F282 HydrophobicContact CD1-CE2 3.28Å; I200-F282 HydrophobicContact CD1-CZ 3.85Å; I200-F282 HydrophobicContact CG1-CE2 4.37Å; I200-F328 HydrophobicContact CD1-CE2 3.58Å; I200-F328 HydrophobicContact CD1-CZ 3.9Å; I200-F328 HydrophobicContact CG2-CZ 4.16Å
201T96.5Very high94.5Very high7 Ų747 Ų474%0.04322%0.219CC..Hα-helixtrans-65.5-44.2179.7-51.20000110.8G197 R198 D199 I204 Q205 L221 A224 K225 K228G197-T201 PolarHBondContact O-N 2.87Å; G197-T201 PolarHBondContact O-OG1 3.09Å; R198-T201 WeakPolarHBondContact O-CA 3.46Å; R198-T201 WeakPolarHBondContact O-CB 3.3Å; R198-T201 PolarHBondContact O-N 2.89Å; D199-T201 VanDerWaalsContact C-N 3.27Å; D199-T201 PolarHBondContact O-N 3.18Å; T201-I204 PolarHBondContact O-N 2.94Å; T201-Q205 WeakPolarHBondContact O-CB 3.26Å; T201-Q205 PolarHBondContact O-N 3.39Å; T201-L221 HydrophobicContact CG2-CD1 3.75Å; T201-L221 HydrophobicContact CG2-CG 4.49Å; T201-A224 HydrophobicContact CG2-CB 4.05Å; T201-K225 HydrophobicContact CG2-CB 3.9Å; T201-K228 PolarHBondContact OG1-NZ 3.4Å
202F95.9Very high94.2Very high95 Ų9546.3 Ų46.342%0.41722%0.216SC..Hα-helixtrans-66.2-38.8176.3-67.9-37.6000112.7R198 D199 Q205 A206 L221R198-F202 HydrophobicContact CG-CD2 3.92Å; R198-F202 HydrophobicContact CG-CE2 3.39Å; R198-F202 HydrophobicContact CG-CZ 3.82Å; R198-F202 PolarHBondContact O-N 3.32Å; D199-F202 PolarHBondContact O-N 2.78Å; F202-Q205 WeakPolarHBondContact O-CB 3.46Å; F202-Q205 PolarHBondContact O-N 3.13Å; F202-A206 PolarHBondContact O-N 3.36Å; F202-L221 HydrophobicContact CD1-CD1 3.63Å; F202-L221 HydrophobicContact CE1-CD1 3.49Å; F202-L221 VanDerWaalsContact CE1-CD1 3.49Å; F202-L221 HydrophobicContact CE1-CD2 4.33Å
203F96.7Very high94Very high34 Ų3451 Ų5115%0.14924%0.236CC..Hα-helixtrans-64-46.3175.9-177.4-117.3000111.7D199 I200 Q205 A206 L207 L277 I281 F287 A288D199-F203 WeakPolarHBondContact O-CB 3.42Å; D199-F203 PolarHBondContact O-N 3.45Å; I200-F203 PolarHBondContact O-N 3.44Å; F203-Q205 VanDerWaalsContact C-N 3.29Å; F203-Q205 PolarHBondContact O-N 3.06Å; F203-A206 PolarHBondContact O-N 3.11Å; F203-L207 HydrophobicContact CD1-CD1 4.2Å; F203-L207 HydrophobicContact CE1-CD1 3.8Å; F203-L207 HydrophobicContact CZ-CD1 4.05Å; F203-L207 HydrophobicContact CZ-CD2 4.44Å; F203-L207 HydrophobicContact CZ-CG 4.4Å; F203-L207 WeakPolarHBondContact O-CG 3.46Å; F203-L207 PolarHBondContact O-N 3.43Å; F203-L207 VanDerWaalsContact O-N 3.09Å; F203-L277 HydrophobicContact CE1-CB 4.08Å; F203-L277 WeakPolarHBondContact CE1-O 3.27Å; F203-I281 HydrophobicContact CB-CD1 4.43Å; F203-I281 HydrophobicContact CD1-CG2 3.54Å; F203-I281 HydrophobicContact CE1-CG2 3.63Å; F203-I281 HydrophobicContact CG-CG2 4.08Å; F203-I281 HydrophobicContact CZ-CG2 4.25Å; F203-F287 HydrophobicContact CE2-CB 4.42Å; F203-F287 WeakPolarHBondContact CE2-O 3.47Å; F203-F287 HydrophobicContact CZ-CB 4.13Å; F203-A288 HydrophobicContact CB-CB 4.34Å; F203-A288 HydrophobicContact CD2-CB 3.97Å; F203-A288 HydrophobicContact CG-CB 4.21Å
204I97Very high93.7Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-60.3-41.2173.2-68.8166.4000110.8I200 T201 A206 L207 L208 A224 V227 K228 E274I200-I204 HydrophobicContact CG2-CD1 3.76Å; I200-I204 HydrophobicContact CG2-CG1 4.43Å; I200-I204 WeakPolarHBondContact O-CB 3.25Å; I200-I204 VanDerWaalsContact O-CG1 3.26Å; I200-I204 WeakPolarHBondContact O-CG1 3.23Å; I200-I204 PolarHBondContact O-N 2.7Å; T201-I204 PolarHBondContact O-N 2.94Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 3.25Å; I204-L207 PolarHBondContact O-N 2.9Å; I204-L208 HydrophobicContact CG2-CD1 3.92Å; I204-L208 HydrophobicContact CG2-CG 4.22Å; I204-L208 VanDerWaalsContact O-CG 3.32Å; I204-L208 WeakPolarHBondContact O-CG 3.41Å; I204-L208 PolarHBondContact O-N 3.29Å; I204-A224 HydrophobicContact CG2-CB 4.12Å; I204-V227 HydrophobicContact CG2-CB 4.34Å; I204-V227 HydrophobicContact CG2-CG1 4.01Å; I204-K228 HydrophobicContact CD1-CB 3.64Å; I204-K228 HydrophobicContact CD1-CG 3.91Å; I204-E274 HydrophobicContact CG1-CB 4.4Å; I204-E274 HydrophobicContact CG2-CB 4.27Å; I204-E274 HydrophobicContact CG2-CG 4.34Å
205Q96.4Very high93.8Very high22 Ų2252.6 Ų52.610%0.10326%0.256CS..Hα-helixtrans-59.9-42.2177.5-174.1-176.729.300112.1T201 F202 F203 L208 R209 S220 A224T201-Q205 WeakPolarHBondContact O-CB 3.26Å; T201-Q205 PolarHBondContact O-N 3.39Å; F202-Q205 WeakPolarHBondContact O-CB 3.46Å; F202-Q205 PolarHBondContact O-N 3.13Å; F203-Q205 VanDerWaalsContact C-N 3.29Å; F203-Q205 PolarHBondContact O-N 3.06Å; Q205-L208 PolarHBondContact O-N 2.89Å; Q205-R209 VanDerWaalsContact O-CG 3.31Å; Q205-R209 WeakPolarHBondContact O-CG 3.49Å; Q205-R209 PolarHBondContact O-N 3.4Å; Q205-S220 WeakPolarHBondContact CG-OG 3.27Å; Q205-S220 PolarHBondContact NE2-OG 3.1Å; Q205-A224 HydrophobicContact CB-CB 3.75Å; Q205-A224 HydrophobicContact CG-CB 4.4Å
206A95.5Very high93.7Very high44 Ų4452.8 Ų52.836%0.36426%0.257SS..Hα-helixtrans-61.9-49.1175.400000111.2F202 F203 I204 L208 R209 E210F202-A206 PolarHBondContact O-N 3.36Å; F203-A206 PolarHBondContact O-N 3.11Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 3.25Å; A206-L208 VanDerWaalsContact C-N 3.31Å; A206-L208 PolarHBondContact O-N 3.27Å; A206-R209 PolarHBondContact O-N 3.48Å; A206-R209 VanDerWaalsContact O-N 3.13Å; A206-E210 WeakPolarHBondContact O-CG 3.48Å; A206-E210 PolarHBondContact O-N 3.29Å; A206-E210 VanDerWaalsContact O-N 3.11Å
207L95.3Very high93.6Very high32 Ų3257.9 Ų57.917%0.16829%0.29CS..Hα-helixtrans-58.3-41.2177.6-66176.1000112.7F203 I204 E210 R211 E274 L277F203-L207 HydrophobicContact CD1-CD1 4.2Å; F203-L207 HydrophobicContact CE1-CD1 3.8Å; F203-L207 HydrophobicContact CZ-CD1 4.05Å; F203-L207 HydrophobicContact CZ-CD2 4.44Å; F203-L207 HydrophobicContact CZ-CG 4.4Å; F203-L207 WeakPolarHBondContact O-CG 3.46Å; F203-L207 PolarHBondContact O-N 3.43Å; F203-L207 VanDerWaalsContact O-N 3.09Å; I204-L207 PolarHBondContact O-N 2.9Å; L207-E210 PolarHBondContact O-N 3.41Å; L207-R211 PolarHBondContact O-N 2.91Å; L207-E274 HydrophobicContact CB-CB 4.26Å; L207-E274 HydrophobicContact CD1-CB 3.79Å; L207-L277 HydrophobicContact CD1-CB 4.08Å; L207-L277 HydrophobicContact CD1-CD1 4.18Å
208L95.7Very high93.3Very high3 Ų363 Ų632%0.01631%0.314CS..Hα-helixtrans-66.5-39.1177.5-71.2176.3000112I204 Q205 A206 E210 R211 E212 I215 A224 V227 F269 E274I204-L208 HydrophobicContact CG2-CD1 3.92Å; I204-L208 HydrophobicContact CG2-CG 4.22Å; I204-L208 VanDerWaalsContact O-CG 3.32Å; I204-L208 WeakPolarHBondContact O-CG 3.41Å; I204-L208 PolarHBondContact O-N 3.29Å; Q205-L208 PolarHBondContact O-N 2.89Å; A206-L208 VanDerWaalsContact C-N 3.31Å; A206-L208 PolarHBondContact O-N 3.27Å; L208-E210 VanDerWaalsContact C-N 3.3Å; L208-E210 PolarHBondContact O-N 3.43Å; L208-R211 PolarHBondContact O-N 2.82Å; L208-E212 HydrophobicContact CD2-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CB 3.22Å; L208-E212 PolarHBondContact O-N 3.31Å; L208-I215 HydrophobicContact CB-CD1 4.08Å; L208-I215 HydrophobicContact CD1-CD1 4.48Å; L208-A224 HydrophobicContact CD1-CB 4.33Å; L208-V227 HydrophobicContact CD1-CG2 4.23Å; L208-F269 HydrophobicContact CD1-CE2 4.26Å; L208-F269 HydrophobicContact CD1-CZ 4.4Å; L208-F269 HydrophobicContact CD2-CD2 4.13Å; L208-F269 HydrophobicContact CD2-CE2 3.59Å; L208-F269 HydrophobicContact CD2-CZ 4.49Å; L208-E274 HydrophobicContact CD2-CG 4.24Å; L208-E274 WeakPolarHBondContact CD2-OE1 3Å
209R93.3Very high93.1Very high158 Ų15859.3 Ų59.360%0.59630%0.301SS*.Hα-helixtrans-67.3-30.1178.2-75.4173.6176.7-174.6-2.4113.2Q205 A206 S220Q205-R209 VanDerWaalsContact O-CG 3.31Å; Q205-R209 WeakPolarHBondContact O-CG 3.49Å; Q205-R209 PolarHBondContact O-N 3.4Å; A206-R209 PolarHBondContact O-N 3.48Å; A206-R209 VanDerWaalsContact O-N 3.13Å; R209-S220 PolarHBondContact NE-OG 3.2Å
210E92.4Very high93Very high157 Ų15757 Ų5773%0.73429%0.289SS*.Hα-helixtrans-74.2-32.9178.6-72.4176.1-175.900112.7A206 L207 L208A206-E210 WeakPolarHBondContact O-CG 3.48Å; A206-E210 PolarHBondContact O-N 3.29Å; A206-E210 VanDerWaalsContact O-N 3.11Å; L207-E210 PolarHBondContact O-N 3.41Å; L208-E210 VanDerWaalsContact C-N 3.3Å; L208-E210 PolarHBondContact O-N 3.43Å
211R91.7Very high92.8Very high82 Ų8260.8 Ų60.831%0.30931%0.309SS..Hα-helixtrans-105.2-40.6-172.7-167.3-179.174.4-134.8-10.1114.3L207 L208 D270 E274L207-R211 PolarHBondContact O-N 2.91Å; L208-R211 PolarHBondContact O-N 2.82Å; R211-D270 PolarHBondContact NH2-O 3.15Å; R211-E274 IonicContact CZ-OE1 3.73Å; R211-E274 IonicContact CZ-OE2 2.77Å; R211-E274 IonicContact NH1-OE1 3.7Å; R211-E274 IonicContact NH1-OE2 3.25Å; R211-E274 PolarHBondContact NH1-OE2 3.19Å; R211-E274 IonicContact NH2-OE1 2.76Å; R211-E274 PolarHBondContact NH2-OE1 3.05Å; R211-E274 IonicContact NH2-OE2 3.84Å; R211-E274 PolarHBondContact NH2-OE2 3.22Å
212E90.2Very high92.5Very high37 Ų3766.3 Ų66.317%0.17334%0.335CS..  trans-104.7143.1-166.3-58.7-62.1149.900112.2L208 I215 F269 D270L208-E212 HydrophobicContact CD2-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CB 3.22Å; L208-E212 PolarHBondContact O-N 3.31Å; E212-I215 HydrophobicContact CB-CD1 4.1Å; E212-F269 HydrophobicContact CB-CB 4.14Å; E212-F269 HydrophobicContact CB-CD2 4.35Å; E212-F269 HydrophobicContact CB-CG 4.43Å; E212-F269 HydrophobicContact CG-CB 4.1Å; E212-F269 HydrophobicContact CG-CD2 3.84Å; E212-F269 HydrophobicContact CG-CG 4.31Å; E212-F269 WeakPolarHBondContact OE2-CB 3.3Å; E212-D270 VanDerWaalsContact OE1-O 3.09Å; E212-D270 PolarHBondContact OE2-N 2.79Å
213F86.7Confident92.5Very high185 Ų18562.1 Ų62.181%0.81132%0.316SS*.  trans-111.3154.1176.2-57.5-83.9000110.4
214G87.5Confident92.5Very high64 Ų6460.5 Ų60.566%0.6631%0.309SS*.  trans87.80.5173.700000115.7P216G214-P216 WeakPolarHBondContact O-CD 3.44Å
215I92.4Very high92.4Very high29 Ų2963.5 Ų63.515%0.14932%0.322CS..  trans-70.4122.3168.6-58.8174.1000108.3L208 E212 T223 F267 F269L208-I215 HydrophobicContact CB-CD1 4.08Å; L208-I215 HydrophobicContact CD1-CD1 4.48Å; E212-I215 HydrophobicContact CB-CD1 4.1Å; I215-T223 HydrophobicContact CG2-CG2 4.31Å; I215-F267 HydrophobicContact CG1-CE2 4.48Å; I215-F267 HydrophobicContact CG2-CE2 4.49Å; I215-F269 HydrophobicContact CD1-CD1 4.01Å; I215-F269 HydrophobicContact CD1-CD2 4.31Å; I215-F269 HydrophobicContact CD1-CE1 3.96Å; I215-F269 HydrophobicContact CD1-CE2 4.26Å; I215-F269 HydrophobicContact CD1-CG 4.2Å; I215-F269 HydrophobicContact CD1-CZ 4.09Å; I215-F269 HydrophobicContact CG1-CD1 3.79Å; I215-F269 HydrophobicContact CG1-CE1 3.99Å; I215-F269 HydrophobicContact CG1-CG 4.28Å
216P92.1Very high92.3Very high8 Ų863.6 Ų63.65%0.05233%0.326CS..  trans-61.2128.6177.7-21.433.3000111G214 E218 Q219 S220 N260 F267G214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-E218 HydrophobicContact CB-CG 4.28Å; P216-E218 WeakPolarHBondContact CB-OE1 3.26Å; P216-E218 PolarHBondContact O-N 3.36Å; P216-Q219 HydrophobicContact CB-CB 4.34Å; P216-Q219 CarbonylContact O-C 3.57Å; P216-Q219 PolarHBondContact O-N 3.24Å; P216-S220 PolarHBondContact O-N 3.43Å; P216-N260 WeakPolarHBondContact CB-ND2 3.4Å; P216-N260 HydrophobicContact CG-CB 4.05Å; P216-N260 WeakPolarHBondContact CG-ND2 3.49Å; P216-F267 HydrophobicContact CG-CD1 4Å; P216-F267 HydrophobicContact CG-CE1 3.93Å; P216-F267 HydrophobicContact CG-CZ 4.4Å
217P90.8Very high92.3Very high106 Ų10661.5 Ų61.569%0.68831%0.308SS*.G310 helixtrans-54.3-39.2-178.7-2835.2000113.4Q219 S220P217-Q219 VanDerWaalsContact C-N 3.28Å; P217-Q219 PolarHBondContact O-N 3Å; P217-S220 VanDerWaalsContact O-CB 3.27Å; P217-S220 WeakPolarHBondContact O-CB 3.38Å; P217-S220 PolarHBondContact O-N 2.71Å
218E87.7Confident92.4Very high107 Ų10760.6 Ų60.650%0.530%0.303SS..G310 helixtrans-64.8-26.7178.563.4-84-165.500113.6P216 N260 V262P216-E218 HydrophobicContact CB-CG 4.28Å; P216-E218 WeakPolarHBondContact CB-OE1 3.26Å; P216-E218 PolarHBondContact O-N 3.36Å; E218-N260 PolarHBondContact OE1-ND2 3.01Å; E218-V262 HydrophobicContact CG-CG2 4.38Å
219Q90.1Very high92.3Very high18 Ų1866.2 Ų66.28%0.08433%0.329CS..G310 helixtrans-1088.2178.8-70.5177.5-71.800113P216 P217 L221 E222 T223 V259 C261P216-Q219 HydrophobicContact CB-CB 4.34Å; P216-Q219 CarbonylContact O-C 3.57Å; P216-Q219 PolarHBondContact O-N 3.24Å; P217-Q219 VanDerWaalsContact C-N 3.28Å; P217-Q219 PolarHBondContact O-N 3Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 2.8Å; Q219-E222 PolarHBondContact O-N 2.86Å; Q219-T223 VanDerWaalsContact O-CB 3.3Å; Q219-T223 WeakPolarHBondContact O-CB 3.39Å; Q219-T223 PolarHBondContact O-N 2.69Å; Q219-T223 PolarHBondContact O-OG1 3.38Å; Q219-V259 PolarHBondContact NE2-O 3.29Å; Q219-V259 PolarHBondContact OE1-O 3.05Å; Q219-C261 VanDerWaalsContact CD-SG 3.6Å; Q219-C261 HydrophobicContact CG-CB 4.29Å
220S92.8Very high92.4Very high8 Ų865 Ų656%0.05633%0.328CS..Hα-helixtrans-59.1-40.6-174.4177.80000112.2Q205 R209 P216 P217 A224Q205-S220 WeakPolarHBondContact CG-OG 3.27Å; Q205-S220 PolarHBondContact NE2-OG 3.1Å; R209-S220 PolarHBondContact NE-OG 3.2Å; P216-S220 PolarHBondContact O-N 3.43Å; P217-S220 VanDerWaalsContact O-CB 3.27Å; P217-S220 WeakPolarHBondContact O-CB 3.38Å; P217-S220 PolarHBondContact O-N 2.71Å; S220-A224 WeakPolarHBondContact O-CB 3.46Å; S220-A224 PolarHBondContact O-N 3.48Å; S220-A224 VanDerWaalsContact O-N 3.09Å
221L92.4Very high92.6Very high80 Ų8060.2 Ų60.242%0.41930%0.304SS..Hα-helixtrans-73.7-43.2179.9-171.866000112.4T201 F202 Q219 T223 A224 K225T201-L221 HydrophobicContact CG2-CD1 3.75Å; T201-L221 HydrophobicContact CG2-CG 4.49Å; F202-L221 HydrophobicContact CD1-CD1 3.63Å; F202-L221 HydrophobicContact CE1-CD1 3.49Å; F202-L221 VanDerWaalsContact CE1-CD1 3.49Å; F202-L221 HydrophobicContact CE1-CD2 4.33Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 2.8Å; L221-T223 VanDerWaalsContact C-N 3.3Å; L221-T223 PolarHBondContact O-N 3.21Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-K225 WeakPolarHBondContact O-CB 3.34Å; L221-K225 PolarHBondContact O-N 3.43Å
222E91.1Very high92.8Very high124 Ų12457 Ų5758%0.57929%0.294SS*.Hα-helixtrans-59.6-43.4176-174.5-171.9-179.300110.9Q219 K225 S226Q219-E222 PolarHBondContact O-N 2.86Å; E222-K225 PolarHBondContact O-N 3.01Å; E222-S226 PolarHBondContact O-N 2.94Å
223T94.4Very high93.1Very high6 Ų656.6 Ų56.64%0.03729%0.291CS..Hα-helixtrans-62.4-48.9176.9-58.40000110.9I215 Q219 L221 K225 S226 V227 F256 F267 F269I215-T223 HydrophobicContact CG2-CG2 4.31Å; Q219-T223 VanDerWaalsContact O-CB 3.3Å; Q219-T223 WeakPolarHBondContact O-CB 3.39Å; Q219-T223 PolarHBondContact O-N 2.69Å; Q219-T223 PolarHBondContact O-OG1 3.38Å; L221-T223 VanDerWaalsContact C-N 3.3Å; L221-T223 PolarHBondContact O-N 3.21Å; T223-K225 VanDerWaalsContact C-N 3.29Å; T223-K225 PolarHBondContact O-N 3.02Å; T223-S226 PolarHBondContact O-N 3.29Å; T223-V227 WeakPolarHBondContact O-CG2 3.15Å; T223-V227 PolarHBondContact O-N 2.93Å; T223-F256 HydrophobicContact CG2-CD1 4.38Å; T223-F256 HydrophobicContact CG2-CE1 4.04Å; T223-F256 HydrophobicContact CG2-CZ 4.24Å; T223-F267 HydrophobicContact CG2-CE2 4.4Å; T223-F269 HydrophobicContact CG2-CE1 3.41Å; T223-F269 VanDerWaalsContact CG2-CE1 3.41Å; T223-F269 HydrophobicContact CG2-CZ 3.35Å
224A96.8Very high93.5Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-59.7-39.8177.400000112.2T201 I204 Q205 L208 S220 L221 V227 K228T201-A224 HydrophobicContact CG2-CB 4.05Å; I204-A224 HydrophobicContact CG2-CB 4.12Å; Q205-A224 HydrophobicContact CB-CB 3.75Å; Q205-A224 HydrophobicContact CG-CB 4.4Å; L208-A224 HydrophobicContact CD1-CB 4.33Å; S220-A224 WeakPolarHBondContact O-CB 3.46Å; S220-A224 PolarHBondContact O-N 3.48Å; S220-A224 VanDerWaalsContact O-N 3.09Å; L221-A224 PolarHBondContact O-N 2.95Å; A224-V227 PolarHBondContact O-N 3.09Å; A224-K228 WeakPolarHBondContact O-CB 3.49Å; A224-K228 PolarHBondContact O-N 3.27Å
225K94.8Very high93.9Very high63 Ų6344.8 Ų44.827%0.27422%0.221SC..Hα-helixtrans-64.4-44.5174.8-177.4179.6178179.10112Y16 T201 L221 E222 T223 V227 K228 E229Y16-K225 PolarHBondContact OH-NZ 2.86Å; T201-K225 HydrophobicContact CG2-CB 3.9Å; L221-K225 WeakPolarHBondContact O-CB 3.34Å; L221-K225 PolarHBondContact O-N 3.43Å; E222-K225 PolarHBondContact O-N 3.01Å; T223-K225 VanDerWaalsContact C-N 3.29Å; T223-K225 PolarHBondContact O-N 3.02Å; K225-V227 VanDerWaalsContact C-N 3.29Å; K225-V227 PolarHBondContact O-N 3.23Å; K225-K228 WeakPolarHBondContact O-CB 3.44Å; K225-K228 PolarHBondContact O-N 3.01Å; K225-E229 WeakPolarHBondContact CE-OE1 3.45Å; K225-E229 WeakPolarHBondContact CG-OE1 3.39Å; K225-E229 WeakPolarHBondContact O-CG 3.27Å; K225-E229 PolarHBondContact O-N 3.35Å
226S95Very high94Very high24 Ų2447.2 Ų47.217%0.16824%0.239CC..Hα-helixtrans-63.9-37.2176.7-158.80000111.6E222 T223 K230E222-S226 PolarHBondContact O-N 2.94Å; T223-S226 PolarHBondContact O-N 3.29Å; S226-K230 VanDerWaalsContact O-CB 3.31Å; S226-K230 WeakPolarHBondContact O-CB 3.15Å; S226-K230 WeakPolarHBondContact O-CG 3.44Å; S226-K230 PolarHBondContact O-N 2.77Å; S226-K230 WeakPolarHBondContact OG-CE 3.45Å; S226-K230 PolarHBondContact OG-NZ 2.89Å
227V96.5Very high94.1Very high0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-62.9-47.3173.3169.40000111.2I204 L208 T223 A224 K225 E229 Y231 F256 F269 V271 E274I204-V227 HydrophobicContact CG2-CB 4.34Å; I204-V227 HydrophobicContact CG2-CG1 4.01Å; L208-V227 HydrophobicContact CD1-CG2 4.23Å; T223-V227 WeakPolarHBondContact O-CG2 3.15Å; T223-V227 PolarHBondContact O-N 2.93Å; A224-V227 PolarHBondContact O-N 3.09Å; K225-V227 VanDerWaalsContact C-N 3.29Å; K225-V227 PolarHBondContact O-N 3.23Å; V227-E229 PolarHBondContact O-N 2.97Å; V227-Y231 HydrophobicContact CG1-CD2 4.48Å; V227-Y231 PolarHBondContact O-N 3.13Å; V227-F256 HydrophobicContact CG2-CD2 3.68Å; V227-F256 HydrophobicContact CG2-CE2 4.07Å; V227-F256 HydrophobicContact CG2-CG 4.4Å; V227-F269 HydrophobicContact CG2-CE2 4.16Å; V227-F269 HydrophobicContact CG2-CZ 3.9Å; V227-V271 HydrophobicContact CG1-CG1 3.73Å; V227-V271 HydrophobicContact CG2-CG2 4.19Å; V227-E274 HydrophobicContact CG1-CG 4.12Å
228K96.7Very high94.2Very high14 Ų1445.8 Ų45.86%0.06123%0.226CC..Hα-helixtrans-52.6-51.8176.1-175.7-173.472.9-175.60111.9G197 I200 T201 I204 A224 K225 C232 F328G197-K228 PolarHBondContact O-NZ 3.14Å; I200-K228 HydrophobicContact CB-CD 4.13Å; I200-K228 HydrophobicContact CG2-CD 3.75Å; I200-K228 HydrophobicContact CG2-CG 3.92Å; T201-K228 PolarHBondContact OG1-NZ 3.4Å; I204-K228 HydrophobicContact CD1-CB 3.64Å; I204-K228 HydrophobicContact CD1-CG 3.91Å; A224-K228 WeakPolarHBondContact O-CB 3.49Å; A224-K228 PolarHBondContact O-N 3.27Å; K225-K228 WeakPolarHBondContact O-CB 3.44Å; K225-K228 PolarHBondContact O-N 3.01Å; K228-C232 VanDerWaalsContact O-CB 3.28Å; K228-C232 WeakPolarHBondContact O-CB 3.38Å; K228-F328 HydrophobicContact CD-CZ 4.16Å; K228-F328 HydrophobicContact CG-CE1 3.82Å; K228-F328 HydrophobicContact CG-CZ 3.75Å
229E93.7Very high94.6Very high120 Ų12044 Ų4456%0.56123%0.229SC*.Hα-helixtrans-75.4-34.8-172.3-69.2167.6-175.100112.7K225 V227K225-E229 WeakPolarHBondContact CE-OE1 3.45Å; K225-E229 WeakPolarHBondContact CG-OE1 3.39Å; K225-E229 WeakPolarHBondContact O-CG 3.27Å; K225-E229 PolarHBondContact O-N 3.35Å; V227-E229 PolarHBondContact O-N 2.97Å
230K94.5Very high94.8Very high134 Ų13450.1 Ų50.158%0.58326%0.256SS*.Hα-helixtrans-88.2-37.2-175.8-68.4176-180167.40114.1S226S226-K230 VanDerWaalsContact O-CB 3.31Å; S226-K230 WeakPolarHBondContact O-CB 3.15Å; S226-K230 WeakPolarHBondContact O-CG 3.44Å; S226-K230 PolarHBondContact O-N 2.77Å; S226-K230 WeakPolarHBondContact OG-CE 3.45Å; S226-K230 PolarHBondContact OG-NZ 2.89Å
231Y96.2Very high95Very high56 Ų5650.5 Ų50.522%0.2226%0.256CS..Hα-helixtrans-118.6-18.7-163.6-59.2-64.8000115.1V227 K254 R255 F256 V271 R275V227-Y231 HydrophobicContact CG1-CD2 4.48Å; V227-Y231 PolarHBondContact O-N 3.13Å; Y231-K254 HydrophobicContact CD1-CB 3.97Å; Y231-K254 HydrophobicContact CD1-CG 3.97Å; Y231-K254 HydrophobicContact CE1-CB 3.99Å; Y231-K254 HydrophobicContact CE1-CG 4.27Å; Y231-R255 PolarHBondContact OH-O 3.33Å; Y231-F256 AromaticContact CE2-CD2 3.8Å; Y231-F256 HydrophobicContact CE2-CD2 3.8Å; Y231-F256 HydrophobicContact CE2-CE2 4.49Å; Y231-V271 HydrophobicContact CD2-CG1 4.22Å; Y231-V271 HydrophobicContact CD2-CG2 4.37Å; Y231-V271 HydrophobicContact CG-CG1 4.29Å; Y231-R275 PolarHBondContact O-NE 3.42Å; Y231-R275 PolarHBondContact O-NH2 3.31Å
232C96.9Very high95.1Very high14 Ų1449.7 Ų49.710%0.09525%0.25CC..  trans-79.2150-174.6-66.40000113.8K228 E274 R275 P279 F328K228-C232 VanDerWaalsContact O-CB 3.28Å; K228-C232 WeakPolarHBondContact O-CB 3.38Å; C232-E274 PolarHBondContact SG-O 3.36Å; C232-E274 VanDerWaalsContact SG-O 3.33Å; C232-R275 CarbonylContact C-O 3.24Å; C232-R275 WeakPolarHBondContact CA-O 3.16Å; C232-R275 VanDerWaalsContact CB-O 3.27Å; C232-R275 WeakPolarHBondContact CB-O 3.22Å; C232-P279 HydrophobicContact CB-CG 3.72Å; C232-F328 HydrophobicContact CB-CD1 3.98Å; C232-F328 HydrophobicContact CB-CE1 3.78Å
233Y96.1Very high95.3Very high28 Ų2846.6 Ų46.611%0.1125%0.245CC..BIsolated β-bridgetrans-156158.7179.561.3-83000110.3C235 E241 Y245 R275 F276Y233-C235 HydrophobicContact CE2-CB 4.37Å; Y233-E241 PolarHBondContact OH-OE1 2.9Å; Y233-Y245 WeakPolarHBondContact OH-CE2 3.47Å; Y233-Y245 PolarHBondContact OH-OH 3.43Å; Y233-R275 HydrophobicContact CD1-CB 4.22Å; Y233-R275 HydrophobicContact CE1-CB 3.78Å; Y233-R275 PolarHBondContact N-O 2.91Å; Y233-F276 HydrophobicContact CE2-CB 4.16Å; Y233-F276 WeakPolarHBondContact O-CA 3.39Å
234V95.9Very high95.2Very high1 Ų149 Ų491%0.00626%0.255CS..  trans-86.9127.8173.6177.90000109.6P279 F283 F328 K329 F331 R334V234-P279 HydrophobicContact CG2-CB 3.76Å; V234-F283 HydrophobicContact CB-CE2 4.46Å; V234-F283 HydrophobicContact CG1-CD2 4.22Å; V234-F283 HydrophobicContact CG1-CE2 3.57Å; V234-F283 HydrophobicContact CG1-CZ 4.19Å; V234-F283 HydrophobicContact CG2-CE2 3.98Å; V234-F328 HydrophobicContact CG2-CB 3.97Å; V234-K329 PolarHBondContact N-O 2.96Å; V234-F331 HydrophobicContact CG2-CB 3.99Å; V234-F331 HydrophobicContact CG2-CD2 3.82Å; V234-F331 HydrophobicContact CG2-CG 4.41Å; V234-R334 HydrophobicContact CG1-CB 3.57Å; V234-R334 HydrophobicContact CG1-CG 3.68Å
235C95.2Very high95Very high1 Ų149 Ų491%0.00726%0.255CS..  trans-89.7155.7175.276.30000111.5Y233 E241 F276 R334Y233-C235 HydrophobicContact CE2-CB 4.37Å; C235-E241 HydrophobicContact CB-CB 4.05Å; C235-E241 HydrophobicContact CB-CG 3.9Å; C235-F276 HydrophobicContact CB-CB 4.02Å; C235-R334 PolarHBondContact O-NH1 3.16Å
236P93.5Very high94.9Very high80 Ų8051.1 Ų51.152%0.51927%0.269SS..SBendtrans-71.5-34173.1-20.733.7000113.6R337P236-R337 VanDerWaalsContact CA-NH1 3.32Å; P236-R337 VanDerWaalsContact O-CZ 3.28Å; P236-R337 PolarHBondContact O-NH1 2.7Å; P236-R337 PolarHBondContact O-NH2 3.24Å
237D94.3Very high94.8Very high61 Ų6154.4 Ų54.433%0.32629%0.293SS..  trans-155.4116.4-169.9-178.6-51.9000108.4A239 K240 E241D237-A239 PolarHBondContact OD1-N 3.22Å; D237-A239 VanDerWaalsContact OD1-N 3.17Å; D237-K240 HydrophobicContact CB-CB 4.15Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.29Å; D237-K240 PolarHBondContact O-N 2.78Å; D237-K240 PolarHBondContact OD1-N 3.32Å; D237-K240 IonicContact OD2-NZ 3.95Å; D237-E241 WeakPolarHBondContact O-CB 3.33Å; D237-E241 PolarHBondContact O-N 3.08Å
238V94.5Very high94.5Very high22 Ų2257.7 Ų57.713%0.13331%0.31CS..Hα-helixtrans-64-44.5-172.1177.90000111.6K240 E241 F242 F276 L277 E280V238-K240 PolarHBondContact O-N 3.28Å; V238-E241 PolarHBondContact O-N 3.4Å; V238-F242 HydrophobicContact CG1-CD2 3.72Å; V238-F242 HydrophobicContact CG1-CE2 3.49Å; V238-F242 VanDerWaalsContact CG1-CE2 3.49Å; V238-F242 VanDerWaalsContact O-CD2 3.25Å; V238-F242 WeakPolarHBondContact O-CD2 3.41Å; V238-F242 PolarHBondContact O-N 2.82Å; V238-F276 HydrophobicContact CG1-CE2 4.33Å; V238-L277 HydrophobicContact CG1-CD2 4.36Å; V238-E280 HydrophobicContact CG2-CG 3.59Å; V238-E280 WeakPolarHBondContact CG2-OE1 3.38Å
239A95.2Very high94.1Very high70 Ų7061.3 Ų61.358%0.57933%0.329SS*.Hα-helixtrans-65.8-39.9-177.700000112D237 E241 F242 A243D237-A239 PolarHBondContact OD1-N 3.22Å; D237-A239 VanDerWaalsContact OD1-N 3.17Å; A239-E241 VanDerWaalsContact C-N 3.33Å; A239-F242 PolarHBondContact O-N 2.65Å; A239-A243 PolarHBondContact O-N 2.85Å; A239-A243 VanDerWaalsContact O-N 3.07Å
240K95.1Very high93.8Very high147 Ų14766.8 Ų66.864%0.63935%0.345SS*.Hα-helixtrans-67.2-35.7174.1-70.8178.3-175.7167.50112.3D237 V238 K244D237-K240 HydrophobicContact CB-CB 4.15Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.29Å; D237-K240 PolarHBondContact O-N 2.78Å; D237-K240 PolarHBondContact OD1-N 3.32Å; D237-K240 IonicContact OD2-NZ 3.95Å; V238-K240 PolarHBondContact O-N 3.28Å; K240-K244 WeakPolarHBondContact O-CB 3.45Å; K240-K244 PolarHBondContact O-N 3.3Å; K240-K244 VanDerWaalsContact O-N 3.09Å
241E95.4Very high93.7Very high15 Ų1566.5 Ų66.57%0.0734%0.344CS..Hα-helixtrans-68.6-41177.8-155.967.6-163.700110.6Y233 C235 D237 V238 A239 K244 Y245 F276Y233-E241 PolarHBondContact OH-OE1 2.9Å; C235-E241 HydrophobicContact CB-CB 4.05Å; C235-E241 HydrophobicContact CB-CG 3.9Å; D237-E241 WeakPolarHBondContact O-CB 3.33Å; D237-E241 PolarHBondContact O-N 3.08Å; V238-E241 PolarHBondContact O-N 3.4Å; A239-E241 VanDerWaalsContact C-N 3.33Å; E241-K244 WeakPolarHBondContact O-CB 3.41Å; E241-K244 PolarHBondContact O-N 3.01Å; E241-K244 IonicContact OE1-NZ 3.91Å; E241-K244 PolarHBondContact OE1-NZ 2.88Å; E241-K244 IonicContact OE2-NZ 2.75Å; E241-K244 PolarHBondContact OE2-NZ 3.05Å; E241-Y245 HydrophobicContact CG-CD2 4.45Å; E241-Y245 HydrophobicContact CG-CE2 4.13Å; E241-Y245 VanDerWaalsContact O-CD2 3.3Å; E241-Y245 WeakPolarHBondContact O-CD2 3.3Å; E241-Y245 PolarHBondContact O-N 3.31Å; E241-Y245 VanDerWaalsContact O-N 3.14Å; E241-F276 HydrophobicContact CB-CD1 4.43Å; E241-F276 HydrophobicContact CB-CD2 4.29Å; E241-F276 HydrophobicContact CB-CE1 4.45Å; E241-F276 HydrophobicContact CB-CE2 4.33Å; E241-F276 HydrophobicContact CB-CG 4.35Å; E241-F276 HydrophobicContact CB-CZ 4.41Å; E241-F276 HydrophobicContact CG-CB 4.25Å; E241-F276 HydrophobicContact CG-CD1 3.61Å; E241-F276 HydrophobicContact CG-CD2 4.21Å; E241-F276 HydrophobicContact CG-CE1 3.93Å; E241-F276 HydrophobicContact CG-CG 3.76Å; E241-F276 HydrophobicContact CG-CZ 4.37Å
242F94.6Very high93.5Very high64 Ų6467.2 Ų67.228%0.28135%0.346SS..Hα-helixtrans-56.2-54.5170-84.3-67.5000112.4V238 A239 K244 Y245 D246 Y273 F276 L277V238-F242 HydrophobicContact CG1-CD2 3.72Å; V238-F242 HydrophobicContact CG1-CE2 3.49Å; V238-F242 VanDerWaalsContact CG1-CE2 3.49Å; V238-F242 VanDerWaalsContact O-CD2 3.25Å; V238-F242 WeakPolarHBondContact O-CD2 3.41Å; V238-F242 PolarHBondContact O-N 2.82Å; A239-F242 PolarHBondContact O-N 2.65Å; F242-K244 PolarHBondContact O-N 3.08Å; F242-Y245 PolarHBondContact O-N 3.04Å; F242-D246 PolarHBondContact O-N 3.24Å; F242-Y273 AromaticContact CD1-CD1 3.91Å; F242-Y273 HydrophobicContact CD1-CD1 3.91Å; F242-Y273 AromaticContact CD1-CE1 3.99Å; F242-Y273 HydrophobicContact CD1-CE1 3.99Å; F242-Y273 HydrophobicContact CD1-CG 4.29Å; F242-Y273 AromaticContact CE1-CD1 3.86Å; F242-Y273 HydrophobicContact CE1-CD1 3.86Å; F242-Y273 HydrophobicContact CE1-CD2 4.07Å; F242-Y273 HydrophobicContact CE1-CE1 4.27Å; F242-Y273 HydrophobicContact CE1-CE2 4.46Å; F242-Y273 AromaticContact CE1-CG 3.77Å; F242-Y273 HydrophobicContact CE1-CG 3.77Å; F242-F276 HydrophobicContact CD1-CE2 4.43Å; F242-F276 AromaticContact CD1-CZ 3.87Å; F242-F276 HydrophobicContact CD1-CZ 3.87Å; F242-F276 HydrophobicContact CD2-CE2 4.08Å; F242-F276 HydrophobicContact CD2-CZ 4.26Å; F242-F276 HydrophobicContact CE1-CE2 4.26Å; F242-F276 AromaticContact CE1-CZ 3.89Å; F242-F276 HydrophobicContact CE1-CZ 3.89Å; F242-F276 AromaticContact CE2-CE2 3.9Å; F242-F276 HydrophobicContact CE2-CE2 3.9Å; F242-F276 HydrophobicContact CE2-CZ 4.29Å; F242-F276 HydrophobicContact CG-CE2 4.35Å; F242-F276 HydrophobicContact CG-CZ 4.06Å; F242-F276 HydrophobicContact CZ-CE2 4Å; F242-F276 HydrophobicContact CZ-CZ 4.11Å; F242-L277 HydrophobicContact CE2-CD2 4.08Å; F242-L277 HydrophobicContact CZ-CD1 3.96Å; F242-L277 HydrophobicContact CZ-CD2 3.9Å; F242-L277 HydrophobicContact CZ-CG 4.24Å
243A95.2Very high93.2Very high58 Ų5867.6 Ų67.648%0.47935%0.348SS..Hα-helixtrans-56.2-32.5-179.500000112.8A239 S247A239-A243 PolarHBondContact O-N 2.85Å; A239-A243 VanDerWaalsContact O-N 3.07Å; A243-S247 VanDerWaalsContact O-CB 3.3Å; A243-S247 WeakPolarHBondContact O-CB 3.48Å; A243-S247 PolarHBondContact O-N 2.93Å; A243-S247 PolarHBondContact O-OG 2.85Å
244K93.5Very high93.1Very high58 Ų5870.6 Ų70.625%0.25236%0.362SS..Hα-helixtrans-70-41.3176.2171.1-175.8168.5-1560112.5K240 E241 F242 S247 D248 W252K240-K244 WeakPolarHBondContact O-CB 3.45Å; K240-K244 PolarHBondContact O-N 3.3Å; K240-K244 VanDerWaalsContact O-N 3.09Å; E241-K244 WeakPolarHBondContact O-CB 3.41Å; E241-K244 PolarHBondContact O-N 3.01Å; E241-K244 IonicContact OE1-NZ 3.91Å; E241-K244 PolarHBondContact OE1-NZ 2.88Å; E241-K244 IonicContact OE2-NZ 2.75Å; E241-K244 PolarHBondContact OE2-NZ 3.05Å; F242-K244 PolarHBondContact O-N 3.08Å; K244-S247 PolarHBondContact O-OG 3.14Å; K244-D248 PolarHBondContact O-N 2.97Å; K244-W252 HydrophobicContact CD-CD2 4.4Å; K244-W252 HydrophobicContact CD-CH2 4.44Å; K244-W252 HydrophobicContact CD-CZ2 4.04Å; K244-W252 VanDerWaalsContact CE-CD2 3.48Å; K244-W252 VanDerWaalsContact CE-CE3 3.5Å; K244-W252 HydrophobicContact CG-CD2 4.15Å; K244-W252 HydrophobicContact CG-CG 4.36Å; K244-W252 HydrophobicContact CG-CZ2 4.01Å; K244-W252 PolarHBondContact O-NE1 3.37Å
245Y93.1Very high93Very high0 Ų077.7 Ų77.70%039%0.388CS..Hα-helixtrans-67.9-41.6173.1-83-111.1000111.3Y233 E241 F242 S247 D248 L249 W252 Y273 R275 F276Y233-Y245 WeakPolarHBondContact OH-CE2 3.47Å; Y233-Y245 PolarHBondContact OH-OH 3.43Å; E241-Y245 HydrophobicContact CG-CD2 4.45Å; E241-Y245 HydrophobicContact CG-CE2 4.13Å; E241-Y245 VanDerWaalsContact O-CD2 3.3Å; E241-Y245 WeakPolarHBondContact O-CD2 3.3Å; E241-Y245 PolarHBondContact O-N 3.31Å; E241-Y245 VanDerWaalsContact O-N 3.14Å; F242-Y245 PolarHBondContact O-N 3.04Å; Y245-S247 VanDerWaalsContact C-N 3.28Å; Y245-S247 PolarHBondContact O-N 2.89Å; Y245-D248 CarbonylContact O-C 3.58Å; Y245-D248 PolarHBondContact O-N 3.33Å; Y245-L249 WeakPolarHBondContact O-CA 3.27Å; Y245-L249 PolarHBondContact O-N 3.1Å; Y245-W252 HydrophobicContact CD1-CB 3.64Å; Y245-W252 HydrophobicContact CD2-CB 3.98Å; Y245-W252 HydrophobicContact CD2-CG 4.39Å; Y245-W252 HydrophobicContact CE1-CB 3.6Å; Y245-W252 HydrophobicContact CE2-CB 3.96Å; Y245-W252 HydrophobicContact CE2-CG 4.49Å; Y245-W252 HydrophobicContact CG-CB 3.84Å; Y245-Y273 HydrophobicContact CD1-CD1 4.17Å; Y245-Y273 HydrophobicContact CD1-CE1 4.23Å; Y245-Y273 HydrophobicContact CG-CD1 4.18Å; Y245-Y273 HydrophobicContact CG-CE1 4.09Å; Y245-R275 PolarHBondContact OH-NH1 3.45Å; Y245-F276 HydrophobicContact CD2-CD1 4.36Å; Y245-F276 AromaticContact CD2-CE1 3.75Å; Y245-F276 HydrophobicContact CD2-CE1 3.75Å; Y245-F276 AromaticContact CE2-CD1 3.72Å; Y245-F276 HydrophobicContact CE2-CD1 3.72Å; Y245-F276 AromaticContact CE2-CE1 3.55Å; Y245-F276 HydrophobicContact CE2-CE1 3.55Å; Y245-F276 HydrophobicContact CG-CE1 4.34Å
246D92.2Very high93Very high106 Ų10678.2 Ų78.257%0.56739%0.391SS*.Hα-helixtrans-63.7-34.3178-66.4-28.3000112.3F242 Y273F242-D246 PolarHBondContact O-N 3.24Å; D246-Y273 PolarHBondContact OD1-OH 2.86Å; D246-Y273 VanDerWaalsContact OD1-OH 3.04Å
247S93.3Very high93Very high94 Ų9479.1 Ų79.166%0.65739%0.391SS*.Hα-helixtrans-69.9-33178.871.30000114.2A243 K244 Y245A243-S247 VanDerWaalsContact O-CB 3.3Å; A243-S247 WeakPolarHBondContact O-CB 3.48Å; A243-S247 PolarHBondContact O-N 2.93Å; A243-S247 PolarHBondContact O-OG 2.85Å; K244-S247 PolarHBondContact O-OG 3.14Å; Y245-S247 VanDerWaalsContact C-N 3.28Å; Y245-S247 PolarHBondContact O-N 2.89Å
248D89.3Confident92.9Very high69 Ų6977 Ų7737%0.36938%0.384SS..  trans-154.773.8-177.4-171.5-7.2000110.5K244 Y245 R250 K251 W252K244-D248 PolarHBondContact O-N 2.97Å; Y245-D248 CarbonylContact O-C 3.58Å; Y245-D248 PolarHBondContact O-N 3.33Å; D248-R250 VanDerWaalsContact C-N 3.26Å; D248-R250 PolarHBondContact O-N 3.39Å; D248-K251 HydrophobicContact CB-CB 4.18Å; D248-K251 PolarHBondContact O-N 2.86Å; D248-K251 WeakPolarHBondContact OD1-CB 3.41Å; D248-K251 PolarHBondContact OD1-N 3.34Å; D248-K251 VanDerWaalsContact OD2-CB 3.22Å; D248-K251 WeakPolarHBondContact OD2-CB 3.42Å; D248-K251 VanDerWaalsContact OD2-CD 3.27Å; D248-K251 WeakPolarHBondContact OD2-CD 3.38Å; D248-W252 PolarHBondContact O-N 3.17Å
249L87.9Confident92.8Very high89 Ų8980 Ų8047%0.46640%0.402SS..Hα-helixtrans-57.5-41.4-174.4-159.375.8000111.5Y245 K251 W252 T253Y245-L249 WeakPolarHBondContact O-CA 3.27Å; Y245-L249 PolarHBondContact O-N 3.1Å; L249-K251 VanDerWaalsContact C-N 3.28Å; L249-K251 PolarHBondContact O-N 3.4Å; L249-W252 PolarHBondContact O-N 3.41Å; L249-T253 WeakPolarHBondContact O-CB 3.37Å; L249-T253 PolarHBondContact O-N 3.27Å; L249-T253 PolarHBondContact O-OG1 2.99Å
250R88.4Confident92.6Very high236 Ų23677.7 Ų77.789%0.89138%0.38SS*.Hα-helixtrans-63.9-31.9-177.3-69.1-175.9177.7-174.50.1113.2D248D248-R250 VanDerWaalsContact C-N 3.26Å; D248-R250 PolarHBondContact O-N 3.39Å
251K91.7Very high92.1Very high128 Ų12873.5 Ų73.556%0.55737%0.368SS*.Hα-helixtrans-75.1-36179.8179.5176.4179.2176.50112.7D248 L249D248-K251 HydrophobicContact CB-CB 4.18Å; D248-K251 PolarHBondContact O-N 2.86Å; D248-K251 WeakPolarHBondContact OD1-CB 3.41Å; D248-K251 PolarHBondContact OD1-N 3.34Å; D248-K251 VanDerWaalsContact OD2-CB 3.22Å; D248-K251 WeakPolarHBondContact OD2-CB 3.42Å; D248-K251 VanDerWaalsContact OD2-CD 3.27Å; D248-K251 WeakPolarHBondContact OD2-CD 3.38Å; L249-K251 VanDerWaalsContact C-N 3.28Å; L249-K251 PolarHBondContact O-N 3.4Å
252W91.2Very high91.7Very high70 Ų7077.9 Ų77.927%0.26540%0.396SS..Hα-helixtrans-97.8-27.5-172.6-60.7110.8000113.5K244 Y245 D248 L249 R275K244-W252 HydrophobicContact CD-CD2 4.4Å; K244-W252 HydrophobicContact CD-CH2 4.44Å; K244-W252 HydrophobicContact CD-CZ2 4.04Å; K244-W252 VanDerWaalsContact CE-CD2 3.48Å; K244-W252 VanDerWaalsContact CE-CE3 3.5Å; K244-W252 HydrophobicContact CG-CD2 4.15Å; K244-W252 HydrophobicContact CG-CG 4.36Å; K244-W252 HydrophobicContact CG-CZ2 4.01Å; K244-W252 PolarHBondContact O-NE1 3.37Å; Y245-W252 HydrophobicContact CD1-CB 3.64Å; Y245-W252 HydrophobicContact CD2-CB 3.98Å; Y245-W252 HydrophobicContact CD2-CG 4.39Å; Y245-W252 HydrophobicContact CE1-CB 3.6Å; Y245-W252 HydrophobicContact CE2-CB 3.96Å; Y245-W252 HydrophobicContact CE2-CG 4.49Å; Y245-W252 HydrophobicContact CG-CB 3.84Å; D248-W252 PolarHBondContact O-N 3.17Å; L249-W252 PolarHBondContact O-N 3.41Å; W252-R275 PolarHBondContact O-NH1 3.29Å
253T92.3Very high91.5Very high23 Ų2378.7 Ų78.714%0.14141%0.406CS..  trans-66.6139.5170.9-61.80000110.4L249 D270 V271L249-T253 WeakPolarHBondContact O-CB 3.37Å; L249-T253 PolarHBondContact O-N 3.27Å; L249-T253 PolarHBondContact O-OG1 2.99Å; T253-D270 HydrophobicContact CG2-CB 3.6Å; T253-V271 WeakPolarHBondContact CA-O 3.2Å
254K94.3Very high91.3Very high90 Ų9083 Ų8339%0.39141%0.414SS..EExtended strand (participates in β ladder)trans-111155.1172.4-62.1-59.3-178.8-167.90109.2Y231 D270 V271Y231-K254 HydrophobicContact CD1-CB 3.97Å; Y231-K254 HydrophobicContact CD1-CG 3.97Å; Y231-K254 HydrophobicContact CE1-CB 3.99Å; Y231-K254 HydrophobicContact CE1-CG 4.27Å; K254-D270 CarbonylContact O-C 3.09Å; K254-V271 HydrophobicContact CB-CB 4.28Å; K254-V271 PolarHBondContact N-O 2.93Å; K254-V271 PolarHBondContact O-N 3.49Å
255R93.3Very high91.2Very high150 Ų15086.3 Ų86.357%0.56643%0.43SS*.EExtended strand (participates in β ladder)trans-96.8132.5172.3-175.8176.9174.4152.29.3109Y231 D257 S268Y231-R255 PolarHBondContact OH-O 3.33Å; R255-D257 IonicContact CZ-OD1 3.3Å; R255-D257 IonicContact NE-OD1 2.97Å; R255-D257 PolarHBondContact NE-OD1 2.88Å; R255-D257 IonicContact NE-OD2 2.92Å; R255-D257 IonicContact NH2-OD1 3.47Å; R255-S268 PolarHBondContact NH2-OG 3.44Å
256F95.3Very high91.2Very high12 Ų1291.2 Ų91.25%0.05346%0.462CS..EExtended strand (participates in β ladder)trans-99.9132.9166.3-171.7-80.9000108.8T223 V227 Y231 F267 S268 F269 V271T223-F256 HydrophobicContact CG2-CD1 4.38Å; T223-F256 HydrophobicContact CG2-CE1 4.04Å; T223-F256 HydrophobicContact CG2-CZ 4.24Å; V227-F256 HydrophobicContact CG2-CD2 3.68Å; V227-F256 HydrophobicContact CG2-CE2 4.07Å; V227-F256 HydrophobicContact CG2-CG 4.4Å; Y231-F256 AromaticContact CE2-CD2 3.8Å; Y231-F256 HydrophobicContact CE2-CD2 3.8Å; Y231-F256 HydrophobicContact CE2-CE2 4.49Å; F256-F267 HydrophobicContact CE1-CE2 4.46Å; F256-S268 CarbonylContact O-C 3.53Å; F256-S268 WeakPolarHBondContact O-CA 3.36Å; F256-S268 VanDerWaalsContact O-CB 3.27Å; F256-S268 WeakPolarHBondContact O-CB 3.44Å; F256-F269 HydrophobicContact CB-CD1 4.15Å; F256-F269 HydrophobicContact CB-CD2 4.3Å; F256-F269 HydrophobicContact CB-CE1 3.7Å; F256-F269 HydrophobicContact CB-CE2 3.87Å; F256-F269 HydrophobicContact CB-CG 4.42Å; F256-F269 HydrophobicContact CB-CZ 3.54Å; F256-F269 HydrophobicContact CD1-CD1 4.12Å; F256-F269 AromaticContact CD1-CE1 3.28Å; F256-F269 HydrophobicContact CD1-CE1 3.28Å; F256-F269 AromaticContact CD1-CZ 3.7Å; F256-F269 HydrophobicContact CD1-CZ 3.7Å; F256-F269 HydrophobicContact CD2-CZ 4.15Å; F256-F269 HydrophobicContact CE1-CE1 4.07Å; F256-F269 HydrophobicContact CE1-CZ 4.46Å; F256-F269 HydrophobicContact CG-CD1 4.45Å; F256-F269 AromaticContact CG-CE1 3.6Å; F256-F269 HydrophobicContact CG-CE1 3.6Å; F256-F269 HydrophobicContact CG-CE2 4.33Å; F256-F269 AromaticContact CG-CZ 3.52Å; F256-F269 HydrophobicContact CG-CZ 3.52Å; F256-F269 PolarHBondContact N-O 3.45Å; F256-F269 PolarHBondContact O-N 3.32Å; F256-F269 VanDerWaalsContact O-N 3.08Å; F256-V271 HydrophobicContact CB-CG2 3.69Å
257D93.9Very high91.3Very high100 Ų10087.3 Ų87.354%0.53544%0.44SS..EExtended strand (participates in β ladder)trans-121.1127.8173.2-59.2-71.5000108.6R255 S268R255-D257 IonicContact CZ-OD1 3.3Å; R255-D257 IonicContact NE-OD1 2.97Å; R255-D257 PolarHBondContact NE-OD1 2.88Å; R255-D257 IonicContact NE-OD2 2.92Å; R255-D257 IonicContact NH2-OD1 3.47Å; D257-S268 WeakPolarHBondContact OD1-CB 3.18Å
258G91.6Very high91.3Very high16 Ų1685.4 Ų85.417%0.16543%0.427CS..EExtended strand (participates in β ladder)trans-135.7170.4-179.700000111.8P266 F267G258-P266 CarbonylContact O-C 3.38Å; G258-P266 WeakPolarHBondContact O-CA 3.39Å; G258-F267 PolarHBondContact N-O 3.3Å; G258-F267 PolarHBondContact O-N 3.29Å; G258-F267 VanDerWaalsContact O-O 3.14Å
259V92.8Very high91.6Very high86 Ų8682.5 Ų82.552%0.52141%0.411SS..EExtended strand (participates in β ladder)trans-124.4129.2177-178.90000108.6Q219 C261Q219-V259 PolarHBondContact NE2-O 3.29Å; Q219-V259 PolarHBondContact OE1-O 3.05Å; V259-C261 PolarHBondContact O-N 3.21Å
260N89.6Confident91.8Very high21 Ų2182.6 Ų82.611%0.11241%0.412CS..  trans-64.6125.6177.9-178.8-56.3000109.8P216 E218 V262 T263 K264 Q265P216-N260 WeakPolarHBondContact CB-ND2 3.4Å; P216-N260 HydrophobicContact CG-CB 4.05Å; P216-N260 WeakPolarHBondContact CG-ND2 3.49Å; E218-N260 PolarHBondContact OE1-ND2 3.01Å; N260-V262 VanDerWaalsContact C-N 3.27Å; N260-V262 PolarHBondContact O-N 3.33Å; N260-V262 WeakPolarHBondContact OD1-CA 2.94Å; N260-V262 WeakPolarHBondContact OD1-CB 3.14Å; N260-V262 PolarHBondContact OD1-N 3.29Å; N260-T263 VanDerWaalsContact CB-OG1 3.26Å; N260-T263 WeakPolarHBondContact CB-OG1 3.36Å; N260-T263 VanDerWaalsContact CG-OG1 3.25Å; N260-T263 PolarHBondContact OD1-N 2.9Å; N260-T263 PolarHBondContact OD1-OG1 3.27Å; N260-K264 WeakPolarHBondContact O-CA 3.13Å; N260-K264 PolarHBondContact O-N 2.7Å; N260-Q265 WeakPolarHBondContact CB-O 3.29Å; N260-Q265 PolarHBondContact N-O 3.14Å
261C85.8Confident92.2Very high59 Ų5971.3 Ų71.340%0.39937%0.369SS..THydrogen-bonded Turntrans-66.2-28.1-175.562.40000113.3Q219 V259 K264Q219-C261 VanDerWaalsContact CD-SG 3.6Å; Q219-C261 HydrophobicContact CG-CB 4.29Å; V259-C261 PolarHBondContact O-N 3.21Å; C261-K264 WeakPolarHBondContact O-CE 3.44Å; C261-K264 PolarHBondContact O-NZ 3.34Å
262V86.6Confident92.3Very high107 Ų10765.4 Ų65.465%0.64835%0.345SS*.THydrogen-bonded Turntrans-88.4-58.9-179.8-175.50000111.3E218 N260E218-V262 HydrophobicContact CG-CG2 4.38Å; N260-V262 VanDerWaalsContact C-N 3.27Å; N260-V262 PolarHBondContact O-N 3.33Å; N260-V262 WeakPolarHBondContact OD1-CA 2.94Å; N260-V262 WeakPolarHBondContact OD1-CB 3.14Å; N260-V262 PolarHBondContact OD1-N 3.29Å
263T89.8Confident92.5Very high81 Ų8165.3 Ų65.350%0.49735%0.345SS..THydrogen-bonded Turntrans-83.2-13.9-172.667.90000113.4N260 Q265N260-T263 VanDerWaalsContact CB-OG1 3.26Å; N260-T263 WeakPolarHBondContact CB-OG1 3.36Å; N260-T263 VanDerWaalsContact CG-OG1 3.25Å; N260-T263 PolarHBondContact OD1-N 2.9Å; N260-T263 PolarHBondContact OD1-OG1 3.27Å; T263-Q265 PolarHBondContact O-N 2.9Å; T263-Q265 VanDerWaalsContact O-N 3.1Å; T263-Q265 PolarHBondContact OG1-N 3.21Å
264K91.2Very high92.6Very high148 Ų14864.2 Ų64.264%0.64334%0.338SS*.  trans58.613.3-173.3-52.4-55.7-171-166.30114.4N260 C261N260-K264 WeakPolarHBondContact O-CA 3.13Å; N260-K264 PolarHBondContact O-N 2.7Å; C261-K264 WeakPolarHBondContact O-CE 3.44Å; C261-K264 PolarHBondContact O-NZ 3.34Å
265Q92.4Very high92.7Very high127 Ų12761.3 Ų61.359%0.59333%0.325SS*.  trans-84.2145.4175.4-64.3-62.7-36.500110.9N260 T263N260-Q265 WeakPolarHBondContact CB-O 3.29Å; N260-Q265 PolarHBondContact N-O 3.14Å; T263-Q265 PolarHBondContact O-N 2.9Å; T263-Q265 VanDerWaalsContact O-N 3.1Å; T263-Q265 PolarHBondContact OG1-N 3.21Å
266P93.4Very high92.9Very high103 Ų10354.1 Ų54.167%0.66930%0.298SS*.EExtended strand (participates in β ladder)trans-71.1145.4174.630.6-34000111G258G258-P266 CarbonylContact O-C 3.38Å; G258-P266 WeakPolarHBondContact O-CA 3.39Å
267F93.7Very high93Very high25 Ų2554.5 Ų54.511%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-130.3148.6166.869.8-86.1000109.1I215 P216 T223 F256 G258 F269I215-F267 HydrophobicContact CG1-CE2 4.48Å; I215-F267 HydrophobicContact CG2-CE2 4.49Å; P216-F267 HydrophobicContact CG-CD1 4Å; P216-F267 HydrophobicContact CG-CE1 3.93Å; P216-F267 HydrophobicContact CG-CZ 4.4Å; T223-F267 HydrophobicContact CG2-CE2 4.4Å; F256-F267 HydrophobicContact CE1-CE2 4.46Å; G258-F267 PolarHBondContact N-O 3.3Å; G258-F267 PolarHBondContact O-N 3.29Å; G258-F267 VanDerWaalsContact O-O 3.14Å; F267-F269 HydrophobicContact CD2-CD1 4.14Å; F267-F269 HydrophobicContact CD2-CE1 4.39Å; F267-F269 HydrophobicContact CE2-CD1 4.13Å; F267-F269 AromaticContact CE2-CE1 3.92Å; F267-F269 HydrophobicContact CE2-CE1 3.92Å
268S93.7Very high93.1Very high54 Ų5449.7 Ų49.738%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-146145.2179.1640000111R255 F256 D257R255-S268 PolarHBondContact NH2-OG 3.44Å; F256-S268 CarbonylContact O-C 3.53Å; F256-S268 WeakPolarHBondContact O-CA 3.36Å; F256-S268 VanDerWaalsContact O-CB 3.27Å; F256-S268 WeakPolarHBondContact O-CB 3.44Å; D257-S268 WeakPolarHBondContact OD1-CB 3.18Å
269F94Very high93.3Very high8 Ų849 Ų494%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-148.7164.5-178.664.4-89.7000110.9L208 E212 I215 T223 V227 F256 F267 V271L208-F269 HydrophobicContact CD1-CE2 4.26Å; L208-F269 HydrophobicContact CD1-CZ 4.4Å; L208-F269 HydrophobicContact CD2-CD2 4.13Å; L208-F269 HydrophobicContact CD2-CE2 3.59Å; L208-F269 HydrophobicContact CD2-CZ 4.49Å; E212-F269 HydrophobicContact CB-CB 4.14Å; E212-F269 HydrophobicContact CB-CD2 4.35Å; E212-F269 HydrophobicContact CB-CG 4.43Å; E212-F269 HydrophobicContact CG-CB 4.1Å; E212-F269 HydrophobicContact CG-CD2 3.84Å; E212-F269 HydrophobicContact CG-CG 4.31Å; E212-F269 WeakPolarHBondContact OE2-CB 3.3Å; I215-F269 HydrophobicContact CD1-CD1 4.01Å; I215-F269 HydrophobicContact CD1-CD2 4.31Å; I215-F269 HydrophobicContact CD1-CE1 3.96Å; I215-F269 HydrophobicContact CD1-CE2 4.26Å; I215-F269 HydrophobicContact CD1-CG 4.2Å; I215-F269 HydrophobicContact CD1-CZ 4.09Å; I215-F269 HydrophobicContact CG1-CD1 3.79Å; I215-F269 HydrophobicContact CG1-CE1 3.99Å; I215-F269 HydrophobicContact CG1-CG 4.28Å; T223-F269 HydrophobicContact CG2-CE1 3.41Å; T223-F269 VanDerWaalsContact CG2-CE1 3.41Å; T223-F269 HydrophobicContact CG2-CZ 3.35Å; V227-F269 HydrophobicContact CG2-CE2 4.16Å; V227-F269 HydrophobicContact CG2-CZ 3.9Å; F256-F269 HydrophobicContact CB-CD1 4.15Å; F256-F269 HydrophobicContact CB-CD2 4.3Å; F256-F269 HydrophobicContact CB-CE1 3.7Å; F256-F269 HydrophobicContact CB-CE2 3.87Å; F256-F269 HydrophobicContact CB-CG 4.42Å; F256-F269 HydrophobicContact CB-CZ 3.54Å; F256-F269 HydrophobicContact CD1-CD1 4.12Å; F256-F269 AromaticContact CD1-CE1 3.28Å; F256-F269 HydrophobicContact CD1-CE1 3.28Å; F256-F269 AromaticContact CD1-CZ 3.7Å; F256-F269 HydrophobicContact CD1-CZ 3.7Å; F256-F269 HydrophobicContact CD2-CZ 4.15Å; F256-F269 HydrophobicContact CE1-CE1 4.07Å; F256-F269 HydrophobicContact CE1-CZ 4.46Å; F256-F269 HydrophobicContact CG-CD1 4.45Å; F256-F269 AromaticContact CG-CE1 3.6Å; F256-F269 HydrophobicContact CG-CE1 3.6Å; F256-F269 HydrophobicContact CG-CE2 4.33Å; F256-F269 AromaticContact CG-CZ 3.52Å; F256-F269 HydrophobicContact CG-CZ 3.52Å; F256-F269 PolarHBondContact N-O 3.45Å; F256-F269 PolarHBondContact O-N 3.32Å; F256-F269 VanDerWaalsContact O-N 3.08Å; F267-F269 HydrophobicContact CD2-CD1 4.14Å; F267-F269 HydrophobicContact CD2-CE1 4.39Å; F267-F269 HydrophobicContact CE2-CD1 4.13Å; F267-F269 AromaticContact CE2-CE1 3.92Å; F267-F269 HydrophobicContact CE2-CE1 3.92Å; F269-V271 HydrophobicContact CD2-CG2 4.27Å; F269-V271 HydrophobicContact CE2-CG2 3.78Å
270D93.6Very high93.6Very high90 Ų9044.9 Ų44.948%0.48124%0.242SC..EExtended strand (participates in β ladder)trans-85.6140.1-179.6-81.2-14.9000110.6R211 E212 T253 K254R211-D270 PolarHBondContact NH2-O 3.15Å; E212-D270 VanDerWaalsContact OE1-O 3.09Å; E212-D270 PolarHBondContact OE2-N 2.79Å; T253-D270 HydrophobicContact CG2-CB 3.6Å; K254-D270 CarbonylContact O-C 3.09Å
271V95.1Very high93.9Very high0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-113.8112.3179.2-176.40000109.3V227 Y231 T253 K254 F256 F269 E274 R275V227-V271 HydrophobicContact CG1-CG1 3.73Å; V227-V271 HydrophobicContact CG2-CG2 4.19Å; Y231-V271 HydrophobicContact CD2-CG1 4.22Å; Y231-V271 HydrophobicContact CD2-CG2 4.37Å; Y231-V271 HydrophobicContact CG-CG1 4.29Å; T253-V271 WeakPolarHBondContact CA-O 3.2Å; K254-V271 HydrophobicContact CB-CB 4.28Å; K254-V271 PolarHBondContact N-O 2.93Å; K254-V271 PolarHBondContact O-N 3.49Å; F256-V271 HydrophobicContact CB-CG2 3.69Å; F269-V271 HydrophobicContact CD2-CG2 4.27Å; F269-V271 HydrophobicContact CE2-CG2 3.78Å; V271-E274 WeakPolarHBondContact CA-OE1 3.27Å; V271-E274 HydrophobicContact CG1-CG 4.2Å; V271-R275 HydrophobicContact CG1-CG 3.59Å
272G94.6Very high94.4Very high4 Ų441.1 Ų41.14%0.04122%0.218CC..  trans-121.8-115.5-166.600000113.7E274 R275G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 VanDerWaalsContact C-OE2 3.23Å; G272-E274 VanDerWaalsContact N-CD 3.29Å; G272-E274 PolarHBondContact N-OE1 3.3Å; G272-E274 PolarHBondContact N-OE2 2.86Å; G272-E274 PolarHBondContact O-N 2.82Å; G272-R275 WeakPolarHBondContact O-CB 3.14Å; G272-R275 WeakPolarHBondContact O-CG 3.42Å; G272-R275 PolarHBondContact O-N 3.01Å
273Y95.1Very high94.9Very high67 Ų6736.5 Ų36.526%0.26319%0.189SC..THydrogen-bonded Turntrans-63.5-31.2-171.6-53.5-44.9000114.7F242 Y245 D246 R275 F276 L277F242-Y273 AromaticContact CD1-CD1 3.91Å; F242-Y273 HydrophobicContact CD1-CD1 3.91Å; F242-Y273 AromaticContact CD1-CE1 3.99Å; F242-Y273 HydrophobicContact CD1-CE1 3.99Å; F242-Y273 HydrophobicContact CD1-CG 4.29Å; F242-Y273 AromaticContact CE1-CD1 3.86Å; F242-Y273 HydrophobicContact CE1-CD1 3.86Å; F242-Y273 HydrophobicContact CE1-CD2 4.07Å; F242-Y273 HydrophobicContact CE1-CE1 4.27Å; F242-Y273 HydrophobicContact CE1-CE2 4.46Å; F242-Y273 AromaticContact CE1-CG 3.77Å; F242-Y273 HydrophobicContact CE1-CG 3.77Å; Y245-Y273 HydrophobicContact CD1-CD1 4.17Å; Y245-Y273 HydrophobicContact CD1-CE1 4.23Å; Y245-Y273 HydrophobicContact CG-CD1 4.18Å; Y245-Y273 HydrophobicContact CG-CE1 4.09Å; D246-Y273 PolarHBondContact OD1-OH 2.86Å; D246-Y273 VanDerWaalsContact OD1-OH 3.04Å; Y273-R275 PolarHBondContact O-N 3.45Å; Y273-F276 AromaticContact CD1-CE1 3.96Å; Y273-F276 HydrophobicContact CD1-CE1 3.96Å; Y273-F276 AromaticContact CD1-CZ 3.91Å; Y273-F276 HydrophobicContact CD1-CZ 3.91Å; Y273-F276 HydrophobicContact CG-CZ 4.38Å; Y273-F276 WeakPolarHBondContact O-CD1 3.4Å; Y273-F276 PolarHBondContact O-N 2.71Å; Y273-L277 WeakPolarHBondContact O-CB 3.49Å; Y273-L277 WeakPolarHBondContact O-CG 3.38Å; Y273-L277 PolarHBondContact O-N 2.81Å
274E95.1Very high95.2Very high1 Ų135.6 Ų35.61%0.00518%0.179CC..Hα-helixtrans-54.5-21.9175.863.9-84-163.300113.1I204 L207 L208 R211 V227 C232 V271 G272 F276 G278I204-E274 HydrophobicContact CG1-CB 4.4Å; I204-E274 HydrophobicContact CG2-CB 4.27Å; I204-E274 HydrophobicContact CG2-CG 4.34Å; L207-E274 HydrophobicContact CB-CB 4.26Å; L207-E274 HydrophobicContact CD1-CB 3.79Å; L208-E274 HydrophobicContact CD2-CG 4.24Å; L208-E274 WeakPolarHBondContact CD2-OE1 3Å; R211-E274 IonicContact CZ-OE1 3.73Å; R211-E274 IonicContact CZ-OE2 2.77Å; R211-E274 IonicContact NH1-OE1 3.7Å; R211-E274 IonicContact NH1-OE2 3.25Å; R211-E274 PolarHBondContact NH1-OE2 3.19Å; R211-E274 IonicContact NH2-OE1 2.76Å; R211-E274 PolarHBondContact NH2-OE1 3.05Å; R211-E274 IonicContact NH2-OE2 3.84Å; R211-E274 PolarHBondContact NH2-OE2 3.22Å; V227-E274 HydrophobicContact CG1-CG 4.12Å; C232-E274 PolarHBondContact SG-O 3.36Å; C232-E274 VanDerWaalsContact SG-O 3.33Å; V271-E274 WeakPolarHBondContact CA-OE1 3.27Å; V271-E274 HydrophobicContact CG1-CG 4.2Å; G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 VanDerWaalsContact C-OE2 3.23Å; G272-E274 VanDerWaalsContact N-CD 3.29Å; G272-E274 PolarHBondContact N-OE1 3.3Å; G272-E274 PolarHBondContact N-OE2 2.86Å; G272-E274 PolarHBondContact O-N 2.82Å; E274-F276 PolarHBondContact O-N 3.44Å; E274-G278 PolarHBondContact O-N 3.41Å
275R96.6Very high95.3Very high28 Ų2828.6 Ų28.611%0.10615%0.149CC..Hα-helixtrans-59.3-44175.1-63.6-17965.3-150.1-8112.4Y231 C232 Y233 Y245 W252 V271 G272 Y273Y231-R275 PolarHBondContact O-NE 3.42Å; Y231-R275 PolarHBondContact O-NH2 3.31Å; C232-R275 CarbonylContact C-O 3.24Å; C232-R275 WeakPolarHBondContact CA-O 3.16Å; C232-R275 VanDerWaalsContact CB-O 3.27Å; C232-R275 WeakPolarHBondContact CB-O 3.22Å; Y233-R275 HydrophobicContact CD1-CB 4.22Å; Y233-R275 HydrophobicContact CE1-CB 3.78Å; Y233-R275 PolarHBondContact N-O 2.91Å; Y245-R275 PolarHBondContact OH-NH1 3.45Å; W252-R275 PolarHBondContact O-NH1 3.29Å; V271-R275 HydrophobicContact CG1-CG 3.59Å; G272-R275 WeakPolarHBondContact O-CB 3.14Å; G272-R275 WeakPolarHBondContact O-CG 3.42Å; G272-R275 PolarHBondContact O-N 3.01Å; Y273-R275 PolarHBondContact O-N 3.45Å
276F96.7Very high95.4Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-102.5-29.4178.661.6-93.8000112.7Y233 C235 V238 E241 F242 Y245 Y273 E274 E280Y233-F276 HydrophobicContact CE2-CB 4.16Å; Y233-F276 WeakPolarHBondContact O-CA 3.39Å; C235-F276 HydrophobicContact CB-CB 4.02Å; V238-F276 HydrophobicContact CG1-CE2 4.33Å; E241-F276 HydrophobicContact CB-CD1 4.43Å; E241-F276 HydrophobicContact CB-CD2 4.29Å; E241-F276 HydrophobicContact CB-CE1 4.45Å; E241-F276 HydrophobicContact CB-CE2 4.33Å; E241-F276 HydrophobicContact CB-CG 4.35Å; E241-F276 HydrophobicContact CB-CZ 4.41Å; E241-F276 HydrophobicContact CG-CB 4.25Å; E241-F276 HydrophobicContact CG-CD1 3.61Å; E241-F276 HydrophobicContact CG-CD2 4.21Å; E241-F276 HydrophobicContact CG-CE1 3.93Å; E241-F276 HydrophobicContact CG-CG 3.76Å; E241-F276 HydrophobicContact CG-CZ 4.37Å; F242-F276 HydrophobicContact CD1-CE2 4.43Å; F242-F276 AromaticContact CD1-CZ 3.87Å; F242-F276 HydrophobicContact CD1-CZ 3.87Å; F242-F276 HydrophobicContact CD2-CE2 4.08Å; F242-F276 HydrophobicContact CD2-CZ 4.26Å; F242-F276 HydrophobicContact CE1-CE2 4.26Å; F242-F276 AromaticContact CE1-CZ 3.89Å; F242-F276 HydrophobicContact CE1-CZ 3.89Å; F242-F276 AromaticContact CE2-CE2 3.9Å; F242-F276 HydrophobicContact CE2-CE2 3.9Å; F242-F276 HydrophobicContact CE2-CZ 4.29Å; F242-F276 HydrophobicContact CG-CE2 4.35Å; F242-F276 HydrophobicContact CG-CZ 4.06Å; F242-F276 HydrophobicContact CZ-CE2 4Å; F242-F276 HydrophobicContact CZ-CZ 4.11Å; Y245-F276 HydrophobicContact CD2-CD1 4.36Å; Y245-F276 AromaticContact CD2-CE1 3.75Å; Y245-F276 HydrophobicContact CD2-CE1 3.75Å; Y245-F276 AromaticContact CE2-CD1 3.72Å; Y245-F276 HydrophobicContact CE2-CD1 3.72Å; Y245-F276 AromaticContact CE2-CE1 3.55Å; Y245-F276 HydrophobicContact CE2-CE1 3.55Å; Y245-F276 HydrophobicContact CG-CE1 4.34Å; Y273-F276 AromaticContact CD1-CE1 3.96Å; Y273-F276 HydrophobicContact CD1-CE1 3.96Å; Y273-F276 AromaticContact CD1-CZ 3.91Å; Y273-F276 HydrophobicContact CD1-CZ 3.91Å; Y273-F276 HydrophobicContact CG-CZ 4.38Å; Y273-F276 WeakPolarHBondContact O-CD1 3.4Å; Y273-F276 PolarHBondContact O-N 2.71Å; E274-F276 PolarHBondContact O-N 3.44Å; F276-E280 WeakPolarHBondContact O-CB 3.44Å; F276-E280 PolarHBondContact O-N 3Å
277L97Very high95.3Very high19 Ų1926.8 Ų26.810%0.09913%0.13CC..Hα-helixtrans-67-37.4177.4-70.2176.8000112.5F203 L207 V238 F242 Y273 E280 F287F203-L277 HydrophobicContact CE1-CB 4.08Å; F203-L277 WeakPolarHBondContact CE1-O 3.27Å; L207-L277 HydrophobicContact CD1-CB 4.08Å; L207-L277 HydrophobicContact CD1-CD1 4.18Å; V238-L277 HydrophobicContact CG1-CD2 4.36Å; F242-L277 HydrophobicContact CE2-CD2 4.08Å; F242-L277 HydrophobicContact CZ-CD1 3.96Å; F242-L277 HydrophobicContact CZ-CD2 3.9Å; F242-L277 HydrophobicContact CZ-CG 4.24Å; Y273-L277 WeakPolarHBondContact O-CB 3.49Å; Y273-L277 WeakPolarHBondContact O-CG 3.38Å; Y273-L277 PolarHBondContact O-N 2.81Å; L277-E280 WeakPolarHBondContact O-CB 3.31Å; L277-E280 PolarHBondContact O-N 3.14Å; L277-E280 VanDerWaalsContact O-N 3.13Å; L277-F287 HydrophobicContact CD2-CE2 4.45Å
278G96.5Very high95.2Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-52-60.918000000112.4E274 E280 I281E274-G278 PolarHBondContact O-N 3.41Å; G278-E280 VanDerWaalsContact C-N 3.29Å; G278-E280 PolarHBondContact O-N 2.97Å; G278-I281 WeakPolarHBondContact O-CG1 3.45Å
279P96.8Very high95.1Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-71-17.8177.2-23.136.7000114.9C232 V234 I281 F282 F328C232-P279 HydrophobicContact CB-CG 3.72Å; V234-P279 HydrophobicContact CG2-CB 3.76Å; P279-I281 PolarHBondContact O-N 2.94Å; P279-F282 PolarHBondContact O-N 3.48Å; P279-F328 HydrophobicContact CB-CB 4.37Å; P279-F328 HydrophobicContact CB-CD1 4.2Å; P279-F328 HydrophobicContact CB-CD2 3.9Å; P279-F328 HydrophobicContact CB-CE2 4.23Å; P279-F328 HydrophobicContact CB-CG 3.89Å; P279-F328 HydrophobicContact CG-CB 4.39Å; P279-F328 HydrophobicContact CG-CD1 3.49Å; P279-F328 VanDerWaalsContact CG-CD1 3.49Å; P279-F328 HydrophobicContact CG-CD2 4.06Å; P279-F328 HydrophobicContact CG-CE1 3.66Å; P279-F328 HydrophobicContact CG-CE2 4.21Å; P279-F328 HydrophobicContact CG-CG 3.71Å; P279-F328 HydrophobicContact CG-CZ 4.02Å
280E97.4Very high94.9Very high1 Ų131.7 Ų31.71%0.00517%0.166CC..Hα-helixtrans-65.1-23.1-178.5-166.465.1-159.800111.9V238 F276 L277 G278 F282 F283 Q284 F287 R334V238-E280 HydrophobicContact CG2-CG 3.59Å; V238-E280 WeakPolarHBondContact CG2-OE1 3.38Å; F276-E280 WeakPolarHBondContact O-CB 3.44Å; F276-E280 PolarHBondContact O-N 3Å; L277-E280 WeakPolarHBondContact O-CB 3.31Å; L277-E280 PolarHBondContact O-N 3.14Å; L277-E280 VanDerWaalsContact O-N 3.13Å; G278-E280 VanDerWaalsContact C-N 3.29Å; G278-E280 PolarHBondContact O-N 2.97Å; E280-F282 PolarHBondContact O-N 3.21Å; E280-F283 CarbonylContact O-C 3.58Å; E280-F283 WeakPolarHBondContact O-CA 3.27Å; E280-F283 PolarHBondContact O-N 2.67Å; E280-Q284 HydrophobicContact CG-CB 4.5Å; E280-Q284 HydrophobicContact CG-CG 4.38Å; E280-Q284 PolarHBondContact O-N 3.14Å; E280-F287 HydrophobicContact CG-CE2 4.26Å; E280-R334 IonicContact OE1-CZ 2.73Å; E280-R334 VanDerWaalsContact OE1-CZ 3.3Å; E280-R334 IonicContact OE1-NH1 2.68Å; E280-R334 PolarHBondContact OE1-NH1 3.21Å; E280-R334 IonicContact OE1-NH2 3.3Å; E280-R334 PolarHBondContact OE1-NH2 3.42Å; E280-R334 IonicContact OE2-CZ 2.83Å; E280-R334 IonicContact OE2-NH1 3.91Å; E280-R334 PolarHBondContact OE2-NH1 3.32Å
281I96.8Very high94.8Very high0 Ų034.7 Ų34.70%018%0.182CC..THydrogen-bonded Turntrans-60.2-20.1177.874.5177.5000113I195 D199 I200 F203 G278 P279 F283 Q284 P285 F287 A288I195-I281 HydrophobicContact CD1-CB 4.34Å; I195-I281 HydrophobicContact CD1-CG1 4.34Å; I195-I281 WeakPolarHBondContact CD1-O 3.42Å; I195-I281 HydrophobicContact CG2-CD1 3.85Å; I195-I281 HydrophobicContact CG2-CG1 3.75Å; D199-I281 HydrophobicContact CB-CD1 4.43Å; I200-I281 HydrophobicContact CB-CD1 4.23Å; I200-I281 HydrophobicContact CG1-CD1 3.58Å; I200-I281 HydrophobicContact CG1-CG1 3.95Å; F203-I281 HydrophobicContact CB-CD1 4.43Å; F203-I281 HydrophobicContact CD1-CG2 3.54Å; F203-I281 HydrophobicContact CE1-CG2 3.63Å; F203-I281 HydrophobicContact CG-CG2 4.08Å; F203-I281 HydrophobicContact CZ-CG2 4.25Å; G278-I281 WeakPolarHBondContact O-CG1 3.45Å; P279-I281 PolarHBondContact O-N 2.94Å; I281-F283 VanDerWaalsContact C-N 3.29Å; I281-F283 PolarHBondContact O-N 3.47Å; I281-Q284 CarbonylContact O-C 3.37Å; I281-P285 WeakPolarHBondContact O-CA 3.27Å; I281-P285 WeakPolarHBondContact O-CG 3.4Å; I281-P285 VanDerWaalsContact O-N 3.14Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.37Å; I281-A288 HydrophobicContact CD1-CB 4.14Å; I281-A288 HydrophobicContact CG2-CB 4.04Å
282F96.5Very high94.7Very high0 Ų036.9 Ų36.90%019%0.191CC..THydrogen-bonded Turntrans-66.5-31.4169.1-81.1-65.9000113.5S170 T175 I195 I200 P279 E280 I296 F328 F331S170-F282 WeakPolarHBondContact OG-CZ 3.22Å; T175-F282 HydrophobicContact CG2-CE1 4.27Å; T175-F282 WeakPolarHBondContact OG1-CE1 3.28Å; I195-F282 HydrophobicContact CB-CE1 4.47Å; I195-F282 HydrophobicContact CG2-CD1 3.92Å; I195-F282 HydrophobicContact CG2-CE1 3.85Å; I195-F282 HydrophobicContact CG2-CG 4.41Å; I195-F282 HydrophobicContact CG2-CZ 4.33Å; I200-F282 HydrophobicContact CD1-CD2 4Å; I200-F282 HydrophobicContact CD1-CE2 3.28Å; I200-F282 HydrophobicContact CD1-CZ 3.85Å; I200-F282 HydrophobicContact CG1-CE2 4.37Å; P279-F282 PolarHBondContact O-N 3.48Å; E280-F282 PolarHBondContact O-N 3.21Å; F282-I296 HydrophobicContact CB-CG2 4.11Å; F282-I296 HydrophobicContact CD1-CD1 4.07Å; F282-I296 WeakPolarHBondContact O-CB 3.37Å; F282-I296 WeakPolarHBondContact O-CG2 3.39Å; F282-I296 PolarHBondContact O-N 3.04Å; F282-F328 HydrophobicContact CE2-CE2 4.22Å; F282-F331 HydrophobicContact CB-CE2 4.08Å; F282-F331 HydrophobicContact CD1-CE2 4.49Å; F282-F331 HydrophobicContact CD2-CD2 4.42Å; F282-F331 AromaticContact CD2-CE2 3.5Å; F282-F331 HydrophobicContact CD2-CE2 3.5Å; F282-F331 VanDerWaalsContact CD2-CE2 3.5Å; F282-F331 HydrophobicContact CD2-CZ 4.19Å; F282-F331 AromaticContact CE2-CE2 3.92Å; F282-F331 HydrophobicContact CE2-CE2 3.92Å; F282-F331 HydrophobicContact CE2-CZ 4.34Å; F282-F331 AromaticContact CG-CE2 3.8Å; F282-F331 HydrophobicContact CG-CE2 3.8Å; F282-F331 HydrophobicContact CG-CZ 4.27Å
283F96.8Very high94.7Very high11 Ų1141 Ų415%0.04822%0.216CC..THydrogen-bonded Turntrans-99.7-25.5-177.4-55.5-76.6000112.2V234 E280 I281 S295 I296 F331 R334 I335V234-F283 HydrophobicContact CB-CE2 4.46Å; V234-F283 HydrophobicContact CG1-CD2 4.22Å; V234-F283 HydrophobicContact CG1-CE2 3.57Å; V234-F283 HydrophobicContact CG1-CZ 4.19Å; V234-F283 HydrophobicContact CG2-CE2 3.98Å; E280-F283 CarbonylContact O-C 3.58Å; E280-F283 WeakPolarHBondContact O-CA 3.27Å; E280-F283 PolarHBondContact O-N 2.67Å; I281-F283 VanDerWaalsContact C-N 3.29Å; I281-F283 PolarHBondContact O-N 3.47Å; F283-S295 WeakPolarHBondContact O-CB 3.31Å; F283-I296 HydrophobicContact CD1-CG2 3.77Å; F283-I296 HydrophobicContact CE1-CG2 3.52Å; F283-I296 HydrophobicContact CZ-CG2 4.14Å; F283-F331 HydrophobicContact CE2-CD2 4.19Å; F283-F331 HydrophobicContact CE2-CE2 4.27Å; F283-F331 HydrophobicContact CZ-CD2 4.09Å; F283-F331 HydrophobicContact CZ-CE2 4.12Å; F283-R334 HydrophobicContact CD1-CG 3.7Å; F283-R334 HydrophobicContact CD2-CG 4.05Å; F283-R334 HydrophobicContact CE1-CB 4.05Å; F283-R334 HydrophobicContact CE1-CG 3.29Å; F283-R334 HydrophobicContact CE2-CB 4.3Å; F283-R334 HydrophobicContact CE2-CG 3.68Å; F283-R334 HydrophobicContact CG-CG 4.07Å; F283-R334 HydrophobicContact CZ-CB 3.74Å; F283-R334 HydrophobicContact CZ-CG 3.28Å; F283-I335 HydrophobicContact CE1-CG1 3.77Å; F283-I335 HydrophobicContact CZ-CG1 3.99Å
284Q95.5Very high94.7Very high62 Ų6240.9 Ų40.929%0.2922%0.218SC..  trans-132.773.3174.9-59.9-172.8-65.400109.9E280 I281 E286 F287E280-Q284 HydrophobicContact CG-CB 4.5Å; E280-Q284 HydrophobicContact CG-CG 4.38Å; E280-Q284 PolarHBondContact O-N 3.14Å; I281-Q284 CarbonylContact O-C 3.37Å; Q284-E286 PolarHBondContact O-N 2.99Å; Q284-E286 VanDerWaalsContact O-N 3.16Å; Q284-F287 HydrophobicContact CB-CD1 4.38Å; Q284-F287 HydrophobicContact CB-CD2 4.11Å; Q284-F287 HydrophobicContact CB-CE1 4.21Å; Q284-F287 HydrophobicContact CB-CE2 3.94Å; Q284-F287 HydrophobicContact CB-CG 4.33Å; Q284-F287 HydrophobicContact CB-CZ 4Å; Q284-F287 HydrophobicContact CG-CZ 4.42Å; Q284-F287 PolarHBondContact O-N 3.49Å
285P94.8Very high94.8Very high0 Ų041.5 Ų41.50%022%0.222CC..G310 helixtrans-57.3-29.9-175.5-30.739.8000115.6I195 I281 F287 A288 N289 Y292 M294I195-P285 HydrophobicContact CD1-CB 3.45Å; I195-P285 VanDerWaalsContact CD1-CB 3.45Å; I195-P285 HydrophobicContact CD1-CG 3.92Å; I281-P285 WeakPolarHBondContact O-CA 3.27Å; I281-P285 WeakPolarHBondContact O-CG 3.4Å; I281-P285 VanDerWaalsContact O-N 3.14Å; P285-F287 PolarHBondContact O-N 3.23Å; P285-A288 PolarHBondContact O-N 2.98Å; P285-N289 PolarHBondContact O-N 3.23Å; P285-Y292 CarbonylContact C-O 3.55Å; P285-Y292 HydrophobicContact CB-CD1 3.65Å; P285-Y292 HydrophobicContact CB-CE1 4.4Å; P285-Y292 VanDerWaalsContact CB-O 3.26Å; P285-Y292 WeakPolarHBondContact CB-O 3.25Å; P285-Y292 HydrophobicContact CG-CD1 3.85Å; P285-Y292 HydrophobicContact CG-CE1 4.11Å; P285-M294 WeakPolarHBondContact CG-O 3.38Å
286E93.9Very high94.7Very high112 Ų11240.2 Ų40.252%0.52322%0.217SC..G310 helixtrans-57-18.2179.761-173.4-144.500114Q284 A288 Y292 T293Q284-E286 PolarHBondContact O-N 2.99Å; Q284-E286 VanDerWaalsContact O-N 3.16Å; E286-A288 VanDerWaalsContact C-N 3.31Å; E286-A288 PolarHBondContact O-N 3.18Å; E286-Y292 PolarHBondContact N-O 2.99Å; E286-T293 HydrophobicContact CB-CG2 4.4Å
287F92.2Very high94.6Very high80 Ų8040.2 Ų40.235%0.35122%0.217SC..G310 helixtrans-68.2-28.5175.1-69.7-2.9000113.6F203 L277 E280 I281 Q284 P285F203-F287 HydrophobicContact CE2-CB 4.42Å; F203-F287 WeakPolarHBondContact CE2-O 3.47Å; F203-F287 HydrophobicContact CZ-CB 4.13Å; L277-F287 HydrophobicContact CD2-CE2 4.45Å; E280-F287 HydrophobicContact CG-CE2 4.26Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; Q284-F287 HydrophobicContact CB-CD1 4.38Å; Q284-F287 HydrophobicContact CB-CD2 4.11Å; Q284-F287 HydrophobicContact CB-CE1 4.21Å; Q284-F287 HydrophobicContact CB-CE2 3.94Å; Q284-F287 HydrophobicContact CB-CG 4.33Å; Q284-F287 HydrophobicContact CB-CZ 4Å; Q284-F287 HydrophobicContact CG-CZ 4.42Å; Q284-F287 PolarHBondContact O-N 3.49Å; P285-F287 PolarHBondContact O-N 3.23Å
288A91.3Very high94.6Very high46 Ų4643.2 Ų43.238%0.3823%0.231SC..THydrogen-bonded Turntrans-121.9-27.3-177.500000113F203 I281 P285 E286F203-A288 HydrophobicContact CB-CB 4.34Å; F203-A288 HydrophobicContact CD2-CB 3.97Å; F203-A288 HydrophobicContact CG-CB 4.21Å; I281-A288 HydrophobicContact CB-CB 4.37Å; I281-A288 HydrophobicContact CD1-CB 4.14Å; I281-A288 HydrophobicContact CG2-CB 4.04Å; P285-A288 PolarHBondContact O-N 2.98Å; E286-A288 VanDerWaalsContact C-N 3.31Å; E286-A288 PolarHBondContact O-N 3.18Å
289N90.4Very high94.6Very high38 Ų3843.3 Ų43.320%0.20323%0.232CC..  trans-127.8104-177.6-170.4-22.5000110.1P285 D291 Y292P285-N289 PolarHBondContact O-N 3.23Å; N289-D291 PolarHBondContact O-N 2.95Å; N289-D291 PolarHBondContact OD1-N 2.81Å; N289-Y292 PolarHBondContact O-N 3.32Å
290P89.5Confident94.6Very high107 Ų10743.3 Ų43.370%0.69523%0.232SC*.THydrogen-bonded Turntrans-66.8-19.8-178.927.7-34.5000113.4
291D92Very high94.5Very high153 Ų15344.1 Ų44.182%0.81824%0.236SC*.THydrogen-bonded Turntrans-87.9-5.1-177.7-60.3-41.1000112.9N289N289-D291 PolarHBondContact O-N 2.95Å; N289-D291 PolarHBondContact OD1-N 2.81Å
292Y93.2Very high94.4Very high45 Ų4546 Ų4618%0.17625%0.246CC..  trans-136.5127.3-176.8-164.9-95.2000111I193 P194 P285 E286 N289 M294 V299I193-Y292 HydrophobicContact CG2-CE1 3.84Å; P194-Y292 VanDerWaalsContact CD-CE2 3.48Å; P194-Y292 HydrophobicContact CG-CD1 3.97Å; P194-Y292 HydrophobicContact CG-CD2 3.54Å; P194-Y292 HydrophobicContact CG-CE1 4.41Å; P194-Y292 HydrophobicContact CG-CE2 4.02Å; P194-Y292 HydrophobicContact CG-CG 3.49Å; P194-Y292 VanDerWaalsContact CG-CG 3.49Å; P285-Y292 CarbonylContact C-O 3.55Å; P285-Y292 HydrophobicContact CB-CD1 3.65Å; P285-Y292 HydrophobicContact CB-CE1 4.4Å; P285-Y292 VanDerWaalsContact CB-O 3.26Å; P285-Y292 WeakPolarHBondContact CB-O 3.25Å; P285-Y292 HydrophobicContact CG-CD1 3.85Å; P285-Y292 HydrophobicContact CG-CE1 4.11Å; E286-Y292 PolarHBondContact N-O 2.99Å; N289-Y292 PolarHBondContact O-N 3.32Å; Y292-M294 HydrophobicContact CE1-CB 4.21Å; Y292-M294 WeakPolarHBondContact CE1-O 3.34Å; Y292-V299 WeakPolarHBondContact OH-CG2 3.43Å
293T94.5Very high94.4Very high92 Ų9246 Ų4656%0.56425%0.246SC*.  trans-124.9-11.9-173.558.30000114.1E286 S295E286-T293 HydrophobicContact CB-CG2 4.4Å; T293-S295 PolarHBondContact O-N 2.78Å
294M95.9Very high94.4Very high64 Ų6445.4 Ų45.432%0.31524%0.244SC..  trans-79.6121.8-171.8-163.9179.4-175.700111.4P285 Y292 E298 V299 D302P285-M294 WeakPolarHBondContact CG-O 3.38Å; Y292-M294 HydrophobicContact CE1-CB 4.21Å; Y292-M294 WeakPolarHBondContact CE1-O 3.34Å; M294-E298 VanDerWaalsContact CE-C 3.5Å; M294-E298 HydrophobicContact CE-CB 3.76Å; M294-E298 WeakPolarHBondContact CE-O 3.49Å; M294-E298 HydrophobicContact CG-CB 3.78Å; M294-V299 HydrophobicContact CB-CG2 4.16Å; M294-V299 HydrophobicContact CE-CG2 4.32Å; M294-V299 HydrophobicContact CG-CG2 3.75Å; M294-V299 HydrophobicContact SD-CG2 3.69Å; M294-D302 HydrophobicContact CE-CB 3.72Å
295S96Very high94.3Very high14 Ų1445.1 Ų45.110%0.09824%0.242CC..  trans-64.8152.6178.9690000112F283 T293 S297 E298 V299F283-S295 WeakPolarHBondContact O-CB 3.31Å; T293-S295 PolarHBondContact O-N 2.78Å; S295-S297 PolarHBondContact O-N 2.87Å; S295-S297 VanDerWaalsContact O-N 3.14Å; S295-E298 WeakPolarHBondContact CB-OE2 3.4Å; S295-E298 PolarHBondContact N-OE2 2.75Å; S295-E298 PolarHBondContact O-N 3.04Å; S295-E298 VanDerWaalsContact OG-CD 3.28Å; S295-E298 VanDerWaalsContact OG-CG 3.24Å; S295-E298 WeakPolarHBondContact OG-CG 3.43Å; S295-E298 PolarHBondContact OG-N 2.74Å; S295-E298 PolarHBondContact OG-OE2 2.82Å; S295-V299 WeakPolarHBondContact O-CG2 3.25Å; S295-V299 PolarHBondContact O-N 3.08Å
296I95.6Very high94.4Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-54.3-36.3175.5-172.6162.8000112.7V168 T175 I193 F282 F283 V299 I300 F331 I335V168-I296 HydrophobicContact CG1-CD1 3.72Å; V168-I296 HydrophobicContact CG1-CG1 4.43Å; T175-I296 HydrophobicContact CG2-CD1 4.18Å; I193-I296 HydrophobicContact CD1-CB 3.88Å; I193-I296 HydrophobicContact CD1-CD1 4.07Å; I193-I296 HydrophobicContact CD1-CG1 3.56Å; F282-I296 HydrophobicContact CB-CG2 4.11Å; F282-I296 HydrophobicContact CD1-CD1 4.07Å; F282-I296 WeakPolarHBondContact O-CB 3.37Å; F282-I296 WeakPolarHBondContact O-CG2 3.39Å; F282-I296 PolarHBondContact O-N 3.04Å; F283-I296 HydrophobicContact CD1-CG2 3.77Å; F283-I296 HydrophobicContact CE1-CG2 3.52Å; F283-I296 HydrophobicContact CZ-CG2 4.14Å; I296-V299 PolarHBondContact O-N 3.45Å; I296-I300 HydrophobicContact CG1-CD1 3.97Å; I296-I300 HydrophobicContact CG1-CG1 4.48Å; I296-I300 WeakPolarHBondContact O-CD1 3.42Å; I296-I300 WeakPolarHBondContact O-CG1 3.38Å; I296-I300 PolarHBondContact O-N 2.85Å; I296-F331 HydrophobicContact CD1-CE1 4.49Å; I296-F331 HydrophobicContact CD1-CZ 3.79Å; I296-I335 HydrophobicContact CD1-CD1 4.25Å; I296-I335 HydrophobicContact CG2-CD1 4.37Å; I296-I335 HydrophobicContact CG2-CG1 4.14Å
297S95.1Very high94.5Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-62.7-47.4177.4-58.40000111S295 V299 I300 D301 D338 M342S295-S297 PolarHBondContact O-N 2.87Å; S295-S297 VanDerWaalsContact O-N 3.14Å; S297-V299 VanDerWaalsContact C-N 3.33Å; S297-I300 PolarHBondContact O-N 2.98Å; S297-D301 PolarHBondContact O-N 3.38Å; S297-D338 WeakPolarHBondContact OG-CB 3.41Å; S297-M342 WeakPolarHBondContact O-CE 3.44Å
298E96.1Very high94.7Very high83 Ų8346.1 Ų46.139%0.38825%0.248SC..Hα-helixtrans-63.8-40.9177.7-71.5163.9137.300111M294 S295 I300 D301 D302 M342M294-E298 VanDerWaalsContact CE-C 3.5Å; M294-E298 HydrophobicContact CE-CB 3.76Å; M294-E298 WeakPolarHBondContact CE-O 3.49Å; M294-E298 HydrophobicContact CG-CB 3.78Å; S295-E298 WeakPolarHBondContact CB-OE2 3.4Å; S295-E298 PolarHBondContact N-OE2 2.75Å; S295-E298 PolarHBondContact O-N 3.04Å; S295-E298 VanDerWaalsContact OG-CD 3.28Å; S295-E298 VanDerWaalsContact OG-CG 3.24Å; S295-E298 WeakPolarHBondContact OG-CG 3.43Å; S295-E298 PolarHBondContact OG-N 2.74Å; S295-E298 PolarHBondContact OG-OE2 2.82Å; E298-I300 VanDerWaalsContact C-N 3.31Å; E298-I300 PolarHBondContact O-N 2.95Å; E298-D301 PolarHBondContact O-N 3.02Å; E298-D302 WeakPolarHBondContact O-CB 3.45Å; E298-D302 PolarHBondContact O-N 2.8Å; E298-M342 HydrophobicContact CB-SD 4.44Å; E298-M342 HydrophobicContact CG-SD 3.62Å
299V96.9Very high94.8Very high2 Ų250 Ų501%0.01226%0.261CS..Hα-helixtrans-61.4-42.4178.7176.50000110.8C177 K191 I193 Y292 M294 S295 I296 S297 A303C177-V299 HydrophobicContact CB-CG1 4.38Å; K191-V299 HydrophobicContact CB-CG1 3.43Å; K191-V299 VanDerWaalsContact CB-CG1 3.43Å; K191-V299 HydrophobicContact CG-CG1 4.09Å; I193-V299 HydrophobicContact CD1-CB 4.02Å; I193-V299 HydrophobicContact CD1-CG1 4Å; I193-V299 HydrophobicContact CD1-CG2 4.11Å; I193-V299 HydrophobicContact CG1-CB 4.29Å; I193-V299 HydrophobicContact CG1-CG1 3.9Å; I193-V299 HydrophobicContact CG1-CG2 4.11Å; Y292-V299 WeakPolarHBondContact OH-CG2 3.43Å; M294-V299 HydrophobicContact CB-CG2 4.16Å; M294-V299 HydrophobicContact CE-CG2 4.32Å; M294-V299 HydrophobicContact CG-CG2 3.75Å; M294-V299 HydrophobicContact SD-CG2 3.69Å; S295-V299 WeakPolarHBondContact O-CG2 3.25Å; S295-V299 PolarHBondContact O-N 3.08Å; I296-V299 PolarHBondContact O-N 3.45Å; S297-V299 VanDerWaalsContact C-N 3.33Å; V299-A303 VanDerWaalsContact O-CB 3.3Å; V299-A303 WeakPolarHBondContact O-CB 3.34Å; V299-A303 PolarHBondContact O-N 3.13Å
300I95.5Very high95Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-62-47.2175.2-69.5162.5000110.7M166 V168 I296 S297 E298 A303 I304 I319 I335 I339M166-I300 HydrophobicContact CG-CG2 4.07Å; V168-I300 HydrophobicContact CG2-CD1 3.52Å; V168-I300 HydrophobicContact CG2-CG1 3.85Å; I296-I300 HydrophobicContact CG1-CD1 3.97Å; I296-I300 HydrophobicContact CG1-CG1 4.48Å; I296-I300 WeakPolarHBondContact O-CD1 3.42Å; I296-I300 WeakPolarHBondContact O-CG1 3.38Å; I296-I300 PolarHBondContact O-N 2.85Å; S297-I300 PolarHBondContact O-N 2.98Å; E298-I300 VanDerWaalsContact C-N 3.31Å; E298-I300 PolarHBondContact O-N 2.95Å; I300-A303 PolarHBondContact O-N 2.93Å; I300-I304 HydrophobicContact CG2-CD1 3.97Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 3.43Å; I300-I319 HydrophobicContact CG2-CD1 3.74Å; I300-I335 HydrophobicContact CD1-CD1 4.46Å; I300-I335 HydrophobicContact CD1-CG2 3.77Å; I300-I339 HydrophobicContact CB-CD1 4Å; I300-I339 HydrophobicContact CD1-CD1 4.14Å; I300-I339 HydrophobicContact CG2-CD1 3.51Å
301D95.2Very high95.1Very high18 Ų1850.1 Ų50.110%0.09626%0.256CS..Hα-helixtrans-61.1-47.8178-174.487.4000111.4S297 E298 A303 I304 Q305 Y316 M342 R346S297-D301 PolarHBondContact O-N 3.38Å; E298-D301 PolarHBondContact O-N 3.02Å; D301-A303 PolarHBondContact O-N 2.83Å; D301-I304 PolarHBondContact O-N 2.81Å; D301-Q305 WeakPolarHBondContact O-CB 3.43Å; D301-Q305 WeakPolarHBondContact O-CG 3.19Å; D301-Q305 PolarHBondContact O-N 2.94Å; D301-Y316 PolarHBondContact OD1-OH 2.81Å; D301-M342 HydrophobicContact CB-CE 4.02Å; D301-R346 IonicContact OD1-CZ 2.82Å; D301-R346 IonicContact OD1-NH1 2.81Å; D301-R346 PolarHBondContact OD1-NH1 2.83Å; D301-R346 IonicContact OD1-NH2 3.42Å; D301-R346 PolarHBondContact OD1-NH2 2.85Å; D301-R346 IonicContact OD2-CZ 3.37Å; D301-R346 IonicContact OD2-NH1 3.42Å; D301-R346 PolarHBondContact OD2-NH1 3.42Å; D301-R346 IonicContact OD2-NH2 3.58Å
302D96.1Very high95.2Very high38 Ų3845.5 Ų45.520%0.20323%0.228CC..Hα-helixtrans-59.6-42.9176.3178.762.2000111.9K191 M294 E298 I304 Q305 R306K191-D302 WeakPolarHBondContact CE-OD2 3.33Å; K191-D302 IonicContact NZ-OD2 3.33Å; K191-D302 PolarHBondContact NZ-OD2 2.93Å; M294-D302 HydrophobicContact CE-CB 3.72Å; E298-D302 WeakPolarHBondContact O-CB 3.45Å; E298-D302 PolarHBondContact O-N 2.8Å; D302-I304 PolarHBondContact O-N 3.49Å; D302-Q305 PolarHBondContact O-N 2.79Å; D302-R306 VanDerWaalsContact O-CG 3.3Å; D302-R306 WeakPolarHBondContact O-CG 3.48Å; D302-R306 PolarHBondContact O-N 2.91Å; D302-R306 IonicContact OD1-CZ 2.74Å; D302-R306 IonicContact OD1-NE 3.56Å; D302-R306 PolarHBondContact OD1-NE 3.19Å; D302-R306 IonicContact OD1-NH2 3.77Å; D302-R306 PolarHBondContact OD1-NH2 3.41Å; D302-R306 VanDerWaalsContact OD1-NH2 3.11Å; D302-R306 IonicContact OD2-CZ 3.43Å; D302-R306 IonicContact OD2-NE 2.84Å; D302-R306 PolarHBondContact OD2-NE 3.27Å; D302-R306 IonicContact OD2-NH2 3.27Å; D302-R306 PolarHBondContact OD2-NH2 3.15Å
303A96.2Very high95.1Very high0 Ų051.2 Ų51.20%025%0.249CC..Hα-helixtrans-60.9-45.317700000111.7M166 C177 K191 V299 I300 D301 R306 C307M166-A303 HydrophobicContact CE-CB 3.59Å; C177-A303 HydrophobicContact CB-CB 4.5Å; K191-A303 HydrophobicContact CG-CB 3.83Å; V299-A303 VanDerWaalsContact O-CB 3.3Å; V299-A303 WeakPolarHBondContact O-CB 3.34Å; V299-A303 PolarHBondContact O-N 3.13Å; I300-A303 PolarHBondContact O-N 2.93Å; D301-A303 PolarHBondContact O-N 2.83Å; A303-R306 PolarHBondContact O-N 3.28Å; A303-C307 PolarHBondContact O-N 2.86Å; A303-C307 PolarHBondContact O-SG 3.37Å
304I95.7Very high94.9Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-68.2-40.1177.7-61.7171.3000111M166 I300 D301 D302 R306 C307 R312 L315 Y316 I319M166-I304 HydrophobicContact CB-CD1 4.25Å; M166-I304 HydrophobicContact CB-CG1 4.43Å; M166-I304 HydrophobicContact CE-CD1 4.35Å; M166-I304 HydrophobicContact CE-CG1 3.45Å; M166-I304 VanDerWaalsContact CE-CG1 3.45Å; M166-I304 HydrophobicContact CG-CD1 4.38Å; M166-I304 HydrophobicContact CG-CG1 4.44Å; I300-I304 HydrophobicContact CG2-CD1 3.97Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 3.43Å; D301-I304 PolarHBondContact O-N 2.81Å; D302-I304 PolarHBondContact O-N 3.49Å; I304-R306 PolarHBondContact O-N 2.72Å; I304-C307 WeakPolarHBondContact O-CB 3.42Å; I304-C307 PolarHBondContact O-N 2.94Å; I304-C307 VanDerWaalsContact O-N 3.12Å; I304-R312 HydrophobicContact CG2-CB 3.91Å; I304-R312 HydrophobicContact CG2-CG 4.25Å; I304-R312 WeakPolarHBondContact O-CD 3.45Å; I304-R312 WeakPolarHBondContact O-CG 3.42Å; I304-L315 HydrophobicContact CD1-CB 4.25Å; I304-L315 HydrophobicContact CG1-CB 4.05Å; I304-L315 HydrophobicContact CG2-CB 3.92Å; I304-L315 HydrophobicContact CG2-CD1 4.17Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 3.99Å; I304-Y316 HydrophobicContact CD1-CD1 3.51Å; I304-Y316 HydrophobicContact CD1-CD2 4.38Å; I304-Y316 HydrophobicContact CD1-CE1 3.6Å; I304-Y316 HydrophobicContact CD1-CE2 4.48Å; I304-Y316 HydrophobicContact CD1-CG 3.91Å; I304-Y316 HydrophobicContact CG1-CE1 4.47Å; I304-Y316 HydrophobicContact CG2-CD1 4.47Å; I304-Y316 HydrophobicContact CG2-CD2 3.52Å; I304-Y316 HydrophobicContact CG2-CE1 4.21Å; I304-Y316 HydrophobicContact CG2-CE2 3.21Å; I304-Y316 HydrophobicContact CG2-CG 4.15Å; I304-I319 HydrophobicContact CD1-CD1 4.16Å
305Q95.1Very high94.7Very high56 Ų5646.2 Ų46.226%0.26222%0.224SC..Hα-helixtrans-67.6-22179.6-69.9-64.489.500113.6D301 D302 R312 Y316 R346D301-Q305 WeakPolarHBondContact O-CB 3.43Å; D301-Q305 WeakPolarHBondContact O-CG 3.19Å; D301-Q305 PolarHBondContact O-N 2.94Å; D302-Q305 PolarHBondContact O-N 2.79Å; Q305-R312 PolarHBondContact O-NE 2.82Å; Q305-R312 PolarHBondContact O-NH1 3.39Å; Q305-R312 PolarHBondContact O-NH2 3.31Å; Q305-Y316 WeakPolarHBondContact CG-OH 3.15Å; Q305-Y316 PolarHBondContact OE1-OH 3.16Å; Q305-R346 VanDerWaalsContact CD-CZ 3.48Å; Q305-R346 VanDerWaalsContact CG-NH1 3.33Å; Q305-R346 VanDerWaalsContact NE2-CZ 3.29Å
306R96.2Very high94.5Very high143 Ų14346.2 Ų46.254%0.5422%0.222SC..Hα-helixtrans-80.9-21.3172.6-71.9172.1-171.1-101-5.1113.5C189 D302 A303 I304C189-R306 HydrophobicContact CB-CB 4.41Å; C189-R306 VanDerWaalsContact SG-C 3.57Å; C189-R306 PolarHBondContact SG-O 2.93Å; D302-R306 VanDerWaalsContact O-CG 3.3Å; D302-R306 WeakPolarHBondContact O-CG 3.48Å; D302-R306 PolarHBondContact O-N 2.91Å; D302-R306 IonicContact OD1-CZ 2.74Å; D302-R306 IonicContact OD1-NE 3.56Å; D302-R306 PolarHBondContact OD1-NE 3.19Å; D302-R306 IonicContact OD1-NH2 3.77Å; D302-R306 PolarHBondContact OD1-NH2 3.41Å; D302-R306 VanDerWaalsContact OD1-NH2 3.11Å; D302-R306 IonicContact OD2-CZ 3.43Å; D302-R306 IonicContact OD2-NE 2.84Å; D302-R306 PolarHBondContact OD2-NE 3.27Å; D302-R306 IonicContact OD2-NH2 3.27Å; D302-R306 PolarHBondContact OD2-NH2 3.15Å; A303-R306 PolarHBondContact O-N 3.28Å; I304-R306 PolarHBondContact O-N 2.72Å
307C96.7Very high94.1Very high1 Ų148.3 Ų48.31%0.00724%0.237CC..SBendtrans-66.6160.1177.5-65.10000111.7P179 I186 A303 I304 V311 R312 L315P179-C307 WeakPolarHBondContact CB-SG 3.49Å; I186-C307 HydrophobicContact CD1-CB 4.3Å; A303-C307 PolarHBondContact O-N 2.86Å; A303-C307 PolarHBondContact O-SG 3.37Å; I304-C307 WeakPolarHBondContact O-CB 3.42Å; I304-C307 PolarHBondContact O-N 2.94Å; I304-C307 VanDerWaalsContact O-N 3.12Å; C307-V311 HydrophobicContact CB-CG2 3.91Å; C307-R312 VanDerWaalsContact O-CZ 3.28Å; C307-R312 PolarHBondContact O-NE 3.03Å; C307-R312 PolarHBondContact O-NH2 2.87Å; C307-L315 HydrophobicContact CB-CD1 3.71Å; C307-L315 VanDerWaalsContact SG-CD1 3.58Å
308P96Very high93.7Very high69 Ų6948.5 Ų48.545%0.44824%0.237SC..  trans-50.8143.5170.6-28.237.4000112.7D310 V311 R312P308-D310 VanDerWaalsContact C-N 3.28Å; P308-D310 WeakPolarHBondContact CB-OD1 3.09Å; P308-D310 PolarHBondContact O-N 2.9Å; P308-V311 HydrophobicContact CB-CG2 4.2Å; P308-V311 WeakPolarHBondContact O-CG2 3.15Å; P308-V311 PolarHBondContact O-N 3Å; P308-R312 WeakPolarHBondContact O-CG 3.33Å
309I93.1Very high93.5Very high127 Ų12744.8 Ų44.865%0.65122%0.22SC*.THydrogen-bonded Turntrans-63.1-33.1-168.2-171.360.6000113.6
310D93.6Very high93.1Very high123 Ų12344.9 Ų44.966%0.65822%0.221SC*.THydrogen-bonded Turntrans-68.4-34-179.253.4-16.4000113P308P308-D310 VanDerWaalsContact C-N 3.28Å; P308-D310 WeakPolarHBondContact CB-OD1 3.09Å; P308-D310 PolarHBondContact O-N 2.9Å
311V93.2Very high92.9Very high24 Ų2445.7 Ų45.715%0.14523%0.225CC..THydrogen-bonded Turntrans-86.6-19.3179.6-59.10000113.9A181 I186 C307 P308 R313 S314 L315A181-V311 HydrophobicContact CB-CG1 4.15Å; I186-V311 HydrophobicContact CD1-CG2 4.13Å; C307-V311 HydrophobicContact CB-CG2 3.91Å; P308-V311 HydrophobicContact CB-CG2 4.2Å; P308-V311 WeakPolarHBondContact O-CG2 3.15Å; P308-V311 PolarHBondContact O-N 3Å; V311-R313 VanDerWaalsContact C-N 3.32Å; V311-R313 PolarHBondContact O-N 2.81Å; V311-S314 WeakPolarHBondContact O-CB 3.32Å; V311-S314 PolarHBondContact O-N 3.12Å; V311-L315 HydrophobicContact CG2-CD1 3.96Å; V311-L315 WeakPolarHBondContact O-CG 3.46Å; V311-L315 PolarHBondContact O-N 3.41Å
312R93.3Very high92.6Very high57 Ų5744.9 Ų44.922%0.21522%0.221CC..Hα-helixtrans-56.4-42.8-170.7-57.1-168.4-173.1165.71.9113.4I304 Q305 C307 P308 S314 L315 Y316I304-R312 HydrophobicContact CG2-CB 3.91Å; I304-R312 HydrophobicContact CG2-CG 4.25Å; I304-R312 WeakPolarHBondContact O-CD 3.45Å; I304-R312 WeakPolarHBondContact O-CG 3.42Å; Q305-R312 PolarHBondContact O-NE 2.82Å; Q305-R312 PolarHBondContact O-NH1 3.39Å; Q305-R312 PolarHBondContact O-NH2 3.31Å; C307-R312 VanDerWaalsContact O-CZ 3.28Å; C307-R312 PolarHBondContact O-NE 3.03Å; C307-R312 PolarHBondContact O-NH2 2.87Å; P308-R312 WeakPolarHBondContact O-CG 3.33Å; R312-S314 VanDerWaalsContact C-N 3.32Å; R312-S314 PolarHBondContact O-N 3.13Å; R312-L315 PolarHBondContact O-N 3.3Å; R312-Y316 HydrophobicContact CB-CD2 4.48Å; R312-Y316 HydrophobicContact CB-CE2 4.43Å; R312-Y316 WeakPolarHBondContact O-CD2 3.44Å; R312-Y316 PolarHBondContact O-N 3.3Å
313R90.3Very high92.1Very high165 Ų16543.5 Ų43.562%0.62322%0.216SC*.Hα-helixtrans-59.2-46.3179.3-66.9-169176.6175.6-0.8111V311 L315 Y316 S317 L361V311-R313 VanDerWaalsContact C-N 3.32Å; V311-R313 PolarHBondContact O-N 2.81Å; R313-L315 VanDerWaalsContact C-N 3.35Å; R313-L315 PolarHBondContact O-N 2.86Å; R313-Y316 PolarHBondContact O-N 2.83Å; R313-S317 WeakPolarHBondContact O-CB 3.39Å; R313-S317 PolarHBondContact O-N 2.95Å; R313-S317 PolarHBondContact O-OG 3.2Å; R313-L361 HydrophobicContact CG-CD1 3.79Å
314S90.1Very high91.6Very high51 Ų5145.5 Ų45.536%0.35724%0.236SC..Hα-helixtrans-62.2-42.9177.3-54.50000111.2V311 R312 S317 N318V311-S314 WeakPolarHBondContact O-CB 3.32Å; V311-S314 PolarHBondContact O-N 3.12Å; R312-S314 VanDerWaalsContact C-N 3.32Å; R312-S314 PolarHBondContact O-N 3.13Å; S314-S317 WeakPolarHBondContact CA-OG 3.31Å; S314-S317 PolarHBondContact O-N 3.12Å; S314-S317 PolarHBondContact O-OG 3.24Å; S314-N318 WeakPolarHBondContact O-CB 3.43Å; S314-N318 PolarHBondContact O-N 3.49Å; S314-N318 VanDerWaalsContact O-N 3.08Å
315L92.3Very high91.4Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-61.7-47.9176.9-64.9175.1000112.5T164 G165 P179 V180 I304 C307 V311 R312 R313 S317 N318T164-L315 HydrophobicContact CG2-CD2 4.46Å; G165-L315 VanDerWaalsContact O-CD2 3.3Å; G165-L315 WeakPolarHBondContact O-CD2 3.34Å; P179-L315 HydrophobicContact CB-CD1 4.06Å; P179-L315 HydrophobicContact CB-CD2 4.21Å; V180-L315 WeakPolarHBondContact O-CD2 3.38Å; I304-L315 HydrophobicContact CD1-CB 4.25Å; I304-L315 HydrophobicContact CG1-CB 4.05Å; I304-L315 HydrophobicContact CG2-CB 3.92Å; I304-L315 HydrophobicContact CG2-CD1 4.17Å; C307-L315 HydrophobicContact CB-CD1 3.71Å; C307-L315 VanDerWaalsContact SG-CD1 3.58Å; V311-L315 HydrophobicContact CG2-CD1 3.96Å; V311-L315 WeakPolarHBondContact O-CG 3.46Å; V311-L315 PolarHBondContact O-N 3.41Å; R312-L315 PolarHBondContact O-N 3.3Å; R313-L315 VanDerWaalsContact C-N 3.35Å; R313-L315 PolarHBondContact O-N 2.86Å; L315-S317 VanDerWaalsContact C-N 3.3Å; L315-S317 PolarHBondContact O-N 3.47Å; L315-N318 CarbonylContact O-C 3.52Å; L315-N318 PolarHBondContact O-N 3.42Å
316Y91.4Very high91.1Very high14 Ų1443.5 Ų43.56%0.05523%0.228CC..Hα-helixtrans-63.3-36.1175.8-78.2-68.7000112.6D301 I304 Q305 R312 R313 N318 I339 T343 R346 L361D301-Y316 PolarHBondContact OD1-OH 2.81Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 3.99Å; I304-Y316 HydrophobicContact CD1-CD1 3.51Å; I304-Y316 HydrophobicContact CD1-CD2 4.38Å; I304-Y316 HydrophobicContact CD1-CE1 3.6Å; I304-Y316 HydrophobicContact CD1-CE2 4.48Å; I304-Y316 HydrophobicContact CD1-CG 3.91Å; I304-Y316 HydrophobicContact CG1-CE1 4.47Å; I304-Y316 HydrophobicContact CG2-CD1 4.47Å; I304-Y316 HydrophobicContact CG2-CD2 3.52Å; I304-Y316 HydrophobicContact CG2-CE1 4.21Å; I304-Y316 HydrophobicContact CG2-CE2 3.21Å; I304-Y316 HydrophobicContact CG2-CG 4.15Å; Q305-Y316 WeakPolarHBondContact CG-OH 3.15Å; Q305-Y316 PolarHBondContact OE1-OH 3.16Å; R312-Y316 HydrophobicContact CB-CD2 4.48Å; R312-Y316 HydrophobicContact CB-CE2 4.43Å; R312-Y316 WeakPolarHBondContact O-CD2 3.44Å; R312-Y316 PolarHBondContact O-N 3.3Å; R313-Y316 PolarHBondContact O-N 2.83Å; Y316-N318 PolarHBondContact O-N 3Å; Y316-I339 HydrophobicContact CD1-CG2 4.07Å; Y316-I339 HydrophobicContact CE1-CG2 4.08Å; Y316-T343 HydrophobicContact CD1-CG2 4.3Å; Y316-T343 HydrophobicContact CE1-CG2 3.87Å; Y316-R346 PolarHBondContact OH-NH2 3.24Å; Y316-L361 HydrophobicContact CD2-CD2 3.24Å; Y316-L361 HydrophobicContact CE2-CD2 3.83Å; Y316-L361 HydrophobicContact CG-CD2 3.68Å
317S86.8Confident90.8Very high44 Ų4440.4 Ų40.431%0.30822%0.221SC..Hα-helixtrans-73.5-13.5178.975.60000113.8R313 S314 L315 Y364R313-S317 WeakPolarHBondContact O-CB 3.39Å; R313-S317 PolarHBondContact O-N 2.95Å; R313-S317 PolarHBondContact O-OG 3.2Å; S314-S317 WeakPolarHBondContact CA-OG 3.31Å; S314-S317 PolarHBondContact O-N 3.12Å; S314-S317 PolarHBondContact O-OG 3.24Å; L315-S317 VanDerWaalsContact C-N 3.3Å; L315-S317 PolarHBondContact O-N 3.47Å; S317-Y364 CarbonylContact C-O 3.34Å; S317-Y364 WeakPolarHBondContact CA-O 3.45Å
318N88.6Confident90.6Very high3 Ų341.3 Ų41.32%0.01623%0.225CC..  trans-138.966.7-174.8-170.621.4000111.9R156 T164 G165 M166 S314 L315 Y316 V320R156-N318 VanDerWaalsContact NH1-CG 3.35Å; R156-N318 PolarHBondContact NH1-OD1 3.38Å; R156-N318 VanDerWaalsContact NH1-OD1 3.16Å; R156-N318 PolarHBondContact NH2-OD1 3.21Å; T164-N318 PolarHBondContact O-ND2 2.75Å; G165-N318 CarbonylContact C-O 3.47Å; G165-N318 WeakPolarHBondContact CA-O 3.25Å; M166-N318 PolarHBondContact N-O 3.45Å; S314-N318 WeakPolarHBondContact O-CB 3.43Å; S314-N318 PolarHBondContact O-N 3.49Å; S314-N318 VanDerWaalsContact O-N 3.08Å; L315-N318 CarbonylContact O-C 3.52Å; L315-N318 PolarHBondContact O-N 3.42Å; Y316-N318 PolarHBondContact O-N 3Å; N318-V320 WeakPolarHBondContact OD1-CG2 3.5Å
319I90.7Very high90.4Very high6 Ų644.8 Ų44.83%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-87.5120169.5-44.6-162000109.2M166 V168 I300 I304 I339 L365M166-I319 HydrophobicContact CB-CG1 4.25Å; M166-I319 HydrophobicContact CB-CG2 4.35Å; M166-I319 HydrophobicContact CG-CG2 4.26Å; M166-I319 CarbonylContact O-C 3.51Å; M166-I319 VanDerWaalsContact O-CA 3.27Å; M166-I319 WeakPolarHBondContact O-CA 3.4Å; V168-I319 HydrophobicContact CG2-CG2 3.89Å; I300-I319 HydrophobicContact CG2-CD1 3.74Å; I304-I319 HydrophobicContact CD1-CD1 4.16Å; I319-I339 HydrophobicContact CD1-CD1 3.65Å; I319-L365 HydrophobicContact CB-CD2 3.83Å; I319-L365 HydrophobicContact CD1-CD2 3.84Å; I319-L365 HydrophobicContact CG1-CD2 3.88Å
320V89.3Confident90.3Very high3 Ų340.2 Ų40.22%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-111.1134.1-179.5178.10000109.5L149 M166 V167 V168 N318L149-V320 HydrophobicContact CD2-CB 4.27Å; L149-V320 HydrophobicContact CD2-CG2 3.68Å; M166-V320 PolarHBondContact O-N 3.02Å; V167-V320 CarbonylContact C-O 3.46Å; V167-V320 WeakPolarHBondContact CA-O 3.44Å; V168-V320 PolarHBondContact N-O 3.24Å; N318-V320 WeakPolarHBondContact OD1-CG2 3.5Å
321L90.1Very high90.2Very high17 Ų1734.4 Ų34.49%0.08918%0.179CC..EExtended strand (participates in β ladder)trans-97.5136.6176.1-59.1-179.1000109.1V168 F331 I335V168-L321 HydrophobicContact CB-CD2 3.87Å; V168-L321 HydrophobicContact CG1-CD2 4.3Å; V168-L321 HydrophobicContact CG2-CD2 4.31Å; L321-F331 HydrophobicContact CD1-CD1 4Å; L321-F331 HydrophobicContact CD2-CD1 4.47Å; L321-F331 HydrophobicContact CD2-CE1 4.26Å; L321-I335 HydrophobicContact CD2-CD1 4.1Å
322S88.5Confident90.1Very high2 Ų234.2 Ų34.21%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-136.3152.8177.1174.30000110.1V168 D169 S170 S326V168-S322 PolarHBondContact O-N 3.31Å; D169-S322 WeakPolarHBondContact CA-O 3.36Å; D169-S322 VanDerWaalsContact OD1-CB 3.29Å; D169-S322 WeakPolarHBondContact OD1-CB 3.3Å; D169-S322 PolarHBondContact OD1-OG 2.84Å; S170-S322 PolarHBondContact N-O 3.14Å; S322-S326 PolarHBondContact O-OG 3.42Å
323G86Confident89.9Confident9 Ų938 Ų389%0.09320%0.196CC..SBendtrans89.7153.7172.900000113.9S170 S325 S326 V373S170-G323 CarbonylContact O-C 3.54Å; S170-G323 VanDerWaalsContact O-C 3.24Å; S170-G323 WeakPolarHBondContact O-CA 3.48Å; G323-S325 VanDerWaalsContact C-N 3.28Å; G323-S325 PolarHBondContact O-N 3.32Å; G323-S326 PolarHBondContact O-N 3.18Å; G323-S326 VanDerWaalsContact O-N 3.1Å; G323-S326 PolarHBondContact O-OG 3.3Å; G323-V373 PolarHBondContact N-O 3.06Å
324G86.7Confident90Very high42 Ų4231.5 Ų31.543%0.43317%0.171SC..G310 helixtrans-61.3-29.9-172.900000114.5S170 S326 M327S170-G324 PolarHBondContact O-N 2.91Å; G324-S326 PolarHBondContact O-N 2.89Å; G324-M327 WeakPolarHBondContact O-CB 3.27Å; G324-M327 WeakPolarHBondContact O-CG 3.47Å; G324-M327 PolarHBondContact O-N 2.9Å
325S91.6Very high90.2Very high8 Ų829.2 Ų29.26%0.05616%0.155CC..G310 helixtrans-77.4-10.8179.8-58.60000113S170 G171 G197 G323 M327 F328S170-S325 WeakPolarHBondContact O-CB 3.47Å; S170-S325 PolarHBondContact O-N 2.87Å; S170-S325 VanDerWaalsContact OG-CB 3.3Å; S170-S325 WeakPolarHBondContact OG-CB 3.4Å; G171-S325 PolarHBondContact O-OG 3.37Å; G197-S325 WeakPolarHBondContact CA-OG 3.29Å; G197-S325 PolarHBondContact N-OG 2.88Å; G323-S325 VanDerWaalsContact C-N 3.28Å; G323-S325 PolarHBondContact O-N 3.32Å; S325-M327 VanDerWaalsContact C-N 3.29Å; S325-F328 WeakPolarHBondContact O-CD2 3.24Å; S325-F328 VanDerWaalsContact O-CE2 3.24Å; S325-F328 WeakPolarHBondContact O-CE2 3.14Å
326S89.1Confident90.1Very high6 Ų631.9 Ų31.94%0.04217%0.167CC..G310 helixtrans-83.5-4.9171.375.40000113.6S322 G323 G324 F328 V373S322-S326 PolarHBondContact O-OG 3.42Å; G323-S326 PolarHBondContact O-N 3.18Å; G323-S326 VanDerWaalsContact O-N 3.1Å; G323-S326 PolarHBondContact O-OG 3.3Å; G324-S326 PolarHBondContact O-N 2.89Å; S326-F328 VanDerWaalsContact C-N 3.29Å; S326-F328 PolarHBondContact O-N 3.45Å; S326-V373 VanDerWaalsContact OG-CG1 3.25Å; S326-V373 WeakPolarHBondContact OG-CG1 3.4Å
327M89.8Confident90.1Very high78 Ų7834.4 Ų34.438%0.38418%0.177SC..G310 helixtrans-77.7-7.1-174.9-69.3-66.7-65.600114.8G324 S325 K329 V373 I374G324-M327 WeakPolarHBondContact O-CB 3.27Å; G324-M327 WeakPolarHBondContact O-CG 3.47Å; G324-M327 PolarHBondContact O-N 2.9Å; S325-M327 VanDerWaalsContact C-N 3.29Å; M327-K329 PolarHBondContact O-N 3.5Å; M327-V373 HydrophobicContact CG-CG1 4.45Å; M327-V373 HydrophobicContact SD-CB 3.47Å; M327-V373 WeakPolarHBondContact SD-CB 3.31Å; M327-V373 HydrophobicContact SD-CG1 3.6Å; M327-I374 HydrophobicContact CE-CD1 3.98Å; M327-I374 HydrophobicContact CE-CG1 3.74Å; M327-I374 HydrophobicContact CG-CG1 3.64Å; M327-I374 HydrophobicContact SD-CG1 3.71Å
328F91.5Very high90.4Very high20 Ų2033.4 Ų33.49%0.08817%0.168CC..SBendtrans-55.5135.4178.5-64.9-67.3000110.4I200 K228 C232 V234 P279 F282 S325 S326 D330 F331I200-F328 HydrophobicContact CD1-CE2 3.58Å; I200-F328 HydrophobicContact CD1-CZ 3.9Å; I200-F328 HydrophobicContact CG2-CZ 4.16Å; K228-F328 HydrophobicContact CD-CZ 4.16Å; K228-F328 HydrophobicContact CG-CE1 3.82Å; K228-F328 HydrophobicContact CG-CZ 3.75Å; C232-F328 HydrophobicContact CB-CD1 3.98Å; C232-F328 HydrophobicContact CB-CE1 3.78Å; V234-F328 HydrophobicContact CG2-CB 3.97Å; P279-F328 HydrophobicContact CB-CB 4.37Å; P279-F328 HydrophobicContact CB-CD1 4.2Å; P279-F328 HydrophobicContact CB-CD2 3.9Å; P279-F328 HydrophobicContact CB-CE2 4.23Å; P279-F328 HydrophobicContact CB-CG 3.89Å; P279-F328 HydrophobicContact CG-CB 4.39Å; P279-F328 HydrophobicContact CG-CD1 3.49Å; P279-F328 VanDerWaalsContact CG-CD1 3.49Å; P279-F328 HydrophobicContact CG-CD2 4.06Å; P279-F328 HydrophobicContact CG-CE1 3.66Å; P279-F328 HydrophobicContact CG-CE2 4.21Å; P279-F328 HydrophobicContact CG-CG 3.71Å; P279-F328 HydrophobicContact CG-CZ 4.02Å; F282-F328 HydrophobicContact CE2-CE2 4.22Å; S325-F328 WeakPolarHBondContact O-CD2 3.24Å; S325-F328 VanDerWaalsContact O-CE2 3.24Å; S325-F328 WeakPolarHBondContact O-CE2 3.14Å; S326-F328 VanDerWaalsContact C-N 3.29Å; S326-F328 PolarHBondContact O-N 3.45Å; F328-D330 PolarHBondContact O-N 3.07Å; F328-F331 HydrophobicContact CB-CB 4.19Å; F328-F331 WeakPolarHBondContact O-CB 3.24Å; F328-F331 PolarHBondContact O-N 3.42Å; F328-F331 VanDerWaalsContact O-N 3.07Å
329K91.9Very high90.6Very high141 Ų14133.4 Ų33.461%0.61317%0.168SC*.BIsolated β-bridgetrans-53.8134.6175.9-179.9-176.9173.2-177.70109.4V234 M327 F331V234-K329 PolarHBondContact N-O 2.96Å; M327-K329 PolarHBondContact O-N 3.5Å; K329-F331 PolarHBondContact O-N 3.47Å
330D92Very high90.6Very high32 Ų3237.8 Ų37.817%0.17118%0.184CC..THydrogen-bonded Turntrans674.9179.9-59.9-48.3000116.5F328 G332 R333 R334F328-D330 PolarHBondContact O-N 3.07Å; D330-G332 PolarHBondContact O-N 3.16Å; D330-R333 PolarHBondContact O-N 3.21Å; D330-R333 VanDerWaalsContact O-N 3.13Å; D330-R333 IonicContact OD1-CZ 3.49Å; D330-R333 IonicContact OD1-NE 2.91Å; D330-R333 IonicContact OD1-NH1 3.5Å; D330-R333 PolarHBondContact OD1-NH1 3.32Å; D330-R333 IonicContact OD1-NH2 3.15Å; D330-R333 PolarHBondContact OD1-NH2 3.48Å; D330-R334 PolarHBondContact O-N 2.87Å
331F91.9Very high90.7Very high1 Ų144.9 Ų44.90%0.00421%0.211CC..Hα-helixtrans-54.2-55.7178-173.6-100.6000113.3V234 F282 F283 I296 L321 F328 K329 R333 R334 I335V234-F331 HydrophobicContact CG2-CB 3.99Å; V234-F331 HydrophobicContact CG2-CD2 3.82Å; V234-F331 HydrophobicContact CG2-CG 4.41Å; F282-F331 HydrophobicContact CB-CE2 4.08Å; F282-F331 HydrophobicContact CD1-CE2 4.49Å; F282-F331 HydrophobicContact CD2-CD2 4.42Å; F282-F331 AromaticContact CD2-CE2 3.5Å; F282-F331 HydrophobicContact CD2-CE2 3.5Å; F282-F331 VanDerWaalsContact CD2-CE2 3.5Å; F282-F331 HydrophobicContact CD2-CZ 4.19Å; F282-F331 AromaticContact CE2-CE2 3.92Å; F282-F331 HydrophobicContact CE2-CE2 3.92Å; F282-F331 HydrophobicContact CE2-CZ 4.34Å; F282-F331 AromaticContact CG-CE2 3.8Å; F282-F331 HydrophobicContact CG-CE2 3.8Å; F282-F331 HydrophobicContact CG-CZ 4.27Å; F283-F331 HydrophobicContact CE2-CD2 4.19Å; F283-F331 HydrophobicContact CE2-CE2 4.27Å; F283-F331 HydrophobicContact CZ-CD2 4.09Å; F283-F331 HydrophobicContact CZ-CE2 4.12Å; I296-F331 HydrophobicContact CD1-CE1 4.49Å; I296-F331 HydrophobicContact CD1-CZ 3.79Å; L321-F331 HydrophobicContact CD1-CD1 4Å; L321-F331 HydrophobicContact CD2-CD1 4.47Å; L321-F331 HydrophobicContact CD2-CE1 4.26Å; F328-F331 HydrophobicContact CB-CB 4.19Å; F328-F331 WeakPolarHBondContact O-CB 3.24Å; F328-F331 PolarHBondContact O-N 3.42Å; F328-F331 VanDerWaalsContact O-N 3.07Å; K329-F331 PolarHBondContact O-N 3.47Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 3.23Å; F331-R334 PolarHBondContact O-N 3.3Å; F331-I335 HydrophobicContact CD1-CD1 3.74Å; F331-I335 HydrophobicContact CE1-CD1 3.33Å; F331-I335 HydrophobicContact CE2-CD1 4.46Å; F331-I335 HydrophobicContact CG-CD1 4.47Å; F331-I335 HydrophobicContact CZ-CD1 3.75Å; F331-I335 PolarHBondContact O-N 3.33Å
332G89.7Confident90.8Very high20 Ų2046.5 Ų46.521%0.20622%0.218CC..Hα-helixtrans-62.6-32.4177.200000113.9D330 Q336D330-G332 PolarHBondContact O-N 3.16Å; G332-Q336 VanDerWaalsContact O-CB 3.26Å; G332-Q336 WeakPolarHBondContact O-CB 3.47Å; G332-Q336 PolarHBondContact O-N 3.15Å
333R89.9Confident90.8Very high137 Ų13746.7 Ų46.752%0.51722%0.219SC..Hα-helixtrans-69.2-39.5177.2-171.8-177.9-63.61449.3111.2D330 F331 Q336 R337D330-R333 PolarHBondContact O-N 3.21Å; D330-R333 VanDerWaalsContact O-N 3.13Å; D330-R333 IonicContact OD1-CZ 3.49Å; D330-R333 IonicContact OD1-NE 2.91Å; D330-R333 IonicContact OD1-NH1 3.5Å; D330-R333 PolarHBondContact OD1-NH1 3.32Å; D330-R333 IonicContact OD1-NH2 3.15Å; D330-R333 PolarHBondContact OD1-NH2 3.48Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 3.23Å; R333-Q336 PolarHBondContact O-N 3.31Å; R333-R337 VanDerWaalsContact O-CB 3.32Å; R333-R337 WeakPolarHBondContact O-CB 3.29Å; R333-R337 PolarHBondContact O-N 3.38Å
334R92.7Very high91Very high28 Ų2849.1 Ų49.111%0.10623%0.23CC..Hα-helixtrans-63.4-50.8175.717866.7-179-90.3-5.7110.8V234 C235 E280 F283 D330 F331 Q336 R337 D338V234-R334 HydrophobicContact CG1-CB 3.57Å; V234-R334 HydrophobicContact CG1-CG 3.68Å; C235-R334 PolarHBondContact O-NH1 3.16Å; E280-R334 IonicContact OE1-CZ 2.73Å; E280-R334 VanDerWaalsContact OE1-CZ 3.3Å; E280-R334 IonicContact OE1-NH1 2.68Å; E280-R334 PolarHBondContact OE1-NH1 3.21Å; E280-R334 IonicContact OE1-NH2 3.3Å; E280-R334 PolarHBondContact OE1-NH2 3.42Å; E280-R334 IonicContact OE2-CZ 2.83Å; E280-R334 IonicContact OE2-NH1 3.91Å; E280-R334 PolarHBondContact OE2-NH1 3.32Å; F283-R334 HydrophobicContact CD1-CG 3.7Å; F283-R334 HydrophobicContact CD2-CG 4.05Å; F283-R334 HydrophobicContact CE1-CB 4.05Å; F283-R334 HydrophobicContact CE1-CG 3.29Å; F283-R334 HydrophobicContact CE2-CB 4.3Å; F283-R334 HydrophobicContact CE2-CG 3.68Å; F283-R334 HydrophobicContact CG-CG 4.07Å; F283-R334 HydrophobicContact CZ-CB 3.74Å; F283-R334 HydrophobicContact CZ-CG 3.28Å; D330-R334 PolarHBondContact O-N 2.87Å; F331-R334 PolarHBondContact O-N 3.3Å; R334-Q336 VanDerWaalsContact C-N 3.33Å; R334-Q336 PolarHBondContact O-N 3.48Å; R334-R337 PolarHBondContact O-N 3.34Å; R334-D338 WeakPolarHBondContact CD-OD2 3.48Å; R334-D338 IonicContact CZ-OD2 2.82Å; R334-D338 IonicContact NE-OD1 3.3Å; R334-D338 IonicContact NE-OD2 3.36Å; R334-D338 PolarHBondContact NE-OD2 3.39Å; R334-D338 IonicContact NH2-OD2 3.49Å; R334-D338 WeakPolarHBondContact O-CB 3.27Å; R334-D338 VanDerWaalsContact O-CG 3.31Å; R334-D338 PolarHBondContact O-N 2.97Å
335I92.8Very high91.2Very high2 Ų250 Ų501%0.0123%0.234CC..Hα-helixtrans-54.7-50.2174.6-69.5173.5000110.5F283 I296 I300 L321 F331 R337 D338 I339F283-I335 HydrophobicContact CE1-CG1 3.77Å; F283-I335 HydrophobicContact CZ-CG1 3.99Å; I296-I335 HydrophobicContact CD1-CD1 4.25Å; I296-I335 HydrophobicContact CG2-CD1 4.37Å; I296-I335 HydrophobicContact CG2-CG1 4.14Å; I300-I335 HydrophobicContact CD1-CD1 4.46Å; I300-I335 HydrophobicContact CD1-CG2 3.77Å; L321-I335 HydrophobicContact CD2-CD1 4.1Å; F331-I335 HydrophobicContact CD1-CD1 3.74Å; F331-I335 HydrophobicContact CE1-CD1 3.33Å; F331-I335 HydrophobicContact CE2-CD1 4.46Å; F331-I335 HydrophobicContact CG-CD1 4.47Å; F331-I335 HydrophobicContact CZ-CD1 3.75Å; F331-I335 PolarHBondContact O-N 3.33Å; I335-R337 VanDerWaalsContact C-N 3.32Å; I335-R337 PolarHBondContact O-N 3.48Å; I335-D338 PolarHBondContact O-N 3.3Å; I335-I339 HydrophobicContact CG2-CD1 3.5Å; I335-I339 HydrophobicContact CG2-CG1 4.26Å; I335-I339 WeakPolarHBondContact O-CB 3.29Å; I335-I339 WeakPolarHBondContact O-CG1 3.34Å; I335-I339 PolarHBondContact O-N 2.99Å
336Q90.8Very high91.1Very high56 Ų5653.2 Ų53.226%0.26225%0.245SC..Hα-helixtrans-58.4-44.1-179.3162.4168.727.200112.7G332 R333 R334 R340 L365G332-Q336 VanDerWaalsContact O-CB 3.26Å; G332-Q336 WeakPolarHBondContact O-CB 3.47Å; G332-Q336 PolarHBondContact O-N 3.15Å; R333-Q336 PolarHBondContact O-N 3.31Å; R334-Q336 VanDerWaalsContact C-N 3.33Å; R334-Q336 PolarHBondContact O-N 3.48Å; Q336-R340 VanDerWaalsContact O-CB 3.25Å; Q336-R340 WeakPolarHBondContact O-CB 3.44Å; Q336-R340 PolarHBondContact O-N 3Å; Q336-L365 HydrophobicContact CB-CB 3.91Å; Q336-L365 HydrophobicContact CB-CD1 3.83Å; Q336-L365 HydrophobicContact CB-CD2 3.96Å; Q336-L365 HydrophobicContact CB-CG 4.09Å; Q336-L365 VanDerWaalsContact CD-CB 3.43Å; Q336-L365 HydrophobicContact CG-CB 3.7Å; Q336-L365 HydrophobicContact CG-CD1 3.62Å; Q336-L365 HydrophobicContact CG-CG 4.12Å
337R91.6Very high91Very high67 Ų6754.3 Ų54.325%0.25325%0.25SC..Hα-helixtrans-65.8-45.6-179.9-179-164.270.9177.38.3111.2P236 R333 R334 I335 R340 R341P236-R337 VanDerWaalsContact CA-NH1 3.32Å; P236-R337 VanDerWaalsContact O-CZ 3.28Å; P236-R337 PolarHBondContact O-NH1 2.7Å; P236-R337 PolarHBondContact O-NH2 3.24Å; R333-R337 VanDerWaalsContact O-CB 3.32Å; R333-R337 WeakPolarHBondContact O-CB 3.29Å; R333-R337 PolarHBondContact O-N 3.38Å; R334-R337 PolarHBondContact O-N 3.34Å; I335-R337 VanDerWaalsContact C-N 3.32Å; I335-R337 PolarHBondContact O-N 3.48Å; R337-R340 PolarHBondContact O-N 3.15Å; R337-R341 WeakPolarHBondContact O-CG 3.45Å; R337-R341 PolarHBondContact O-N 3.33Å
338D93.1Very high90.9Very high24 Ų2456.5 Ų56.513%0.12826%0.257CS..Hα-helixtrans-72-42-174.3-67.7-1.2000110.5S297 R334 I335 R340 R341 M342S297-D338 WeakPolarHBondContact OG-CB 3.41Å; R334-D338 WeakPolarHBondContact CD-OD2 3.48Å; R334-D338 IonicContact CZ-OD2 2.82Å; R334-D338 IonicContact NE-OD1 3.3Å; R334-D338 IonicContact NE-OD2 3.36Å; R334-D338 PolarHBondContact NE-OD2 3.39Å; R334-D338 IonicContact NH2-OD2 3.49Å; R334-D338 WeakPolarHBondContact O-CB 3.27Å; R334-D338 VanDerWaalsContact O-CG 3.31Å; R334-D338 PolarHBondContact O-N 2.97Å; I335-D338 PolarHBondContact O-N 3.3Å; D338-R340 PolarHBondContact O-N 3.01Å; D338-R341 PolarHBondContact O-N 2.86Å; D338-M342 WeakPolarHBondContact O-CG 3.3Å; D338-M342 PolarHBondContact O-N 2.95Å; D338-M342 VanDerWaalsContact O-N 3.09Å
339I92.4Very high90.8Very high3 Ų363.2 Ų63.22%0.01528%0.283CS..Hα-helixtrans-58.1-47.5170.8-67.4174.2000111.1I300 Y316 I319 I335 R341 M342 T343I300-I339 HydrophobicContact CB-CD1 4Å; I300-I339 HydrophobicContact CD1-CD1 4.14Å; I300-I339 HydrophobicContact CG2-CD1 3.51Å; Y316-I339 HydrophobicContact CD1-CG2 4.07Å; Y316-I339 HydrophobicContact CE1-CG2 4.08Å; I319-I339 HydrophobicContact CD1-CD1 3.65Å; I335-I339 HydrophobicContact CG2-CD1 3.5Å; I335-I339 HydrophobicContact CG2-CG1 4.26Å; I335-I339 WeakPolarHBondContact O-CB 3.29Å; I335-I339 WeakPolarHBondContact O-CG1 3.34Å; I335-I339 PolarHBondContact O-N 2.99Å; I339-R341 VanDerWaalsContact C-N 3.31Å; I339-R341 PolarHBondContact O-N 3.12Å; I339-M342 HydrophobicContact CB-CE 4.39Å; I339-M342 HydrophobicContact CG1-CE 4.05Å; I339-M342 PolarHBondContact O-N 2.79Å; I339-M342 VanDerWaalsContact O-N 3.15Å; I339-T343 HydrophobicContact CG2-CG2 4.1Å; I339-T343 WeakPolarHBondContact O-CG2 3.41Å; I339-T343 PolarHBondContact O-N 3.13Å; I339-T343 PolarHBondContact O-OG1 3.28Å
340R91.1Very high90.5Very high98 Ų9858.4 Ų58.437%0.3727%0.267SS..Hα-helixtrans-55.4-46.5177.3175.6173.8-61-168.5-3.8111.9Q336 R337 D338 M342 T343 D344 L362Q336-R340 VanDerWaalsContact O-CB 3.25Å; Q336-R340 WeakPolarHBondContact O-CB 3.44Å; Q336-R340 PolarHBondContact O-N 3Å; R337-R340 PolarHBondContact O-N 3.15Å; D338-R340 PolarHBondContact O-N 3.01Å; R340-M342 VanDerWaalsContact C-N 3.33Å; R340-M342 PolarHBondContact O-N 3.05Å; R340-T343 WeakPolarHBondContact CA-OG1 3.42Å; R340-T343 PolarHBondContact O-N 3.36Å; R340-T343 PolarHBondContact O-OG1 3.14Å; R340-D344 VanDerWaalsContact CG-OD2 3.25Å; R340-D344 WeakPolarHBondContact CG-OD2 3.23Å; R340-D344 VanDerWaalsContact O-CB 3.26Å; R340-D344 WeakPolarHBondContact O-CB 3.39Å; R340-D344 PolarHBondContact O-N 2.88Å; R340-L362 HydrophobicContact CB-CD2 4.24Å; R340-L362 HydrophobicContact CG-CD1 3.8Å; R340-L362 HydrophobicContact CG-CD2 3.89Å; R340-L362 HydrophobicContact CG-CG 4.49Å
341R92Very high90.1Very high152 Ų15260.6 Ų60.657%0.57428%0.277SS*.Hα-helixtrans-59.3-43.8178.5-75.5172.5173.9-179.4-4.1111.7R337 D338 I339 A345R337-R341 WeakPolarHBondContact O-CG 3.45Å; R337-R341 PolarHBondContact O-N 3.33Å; D338-R341 PolarHBondContact O-N 2.86Å; I339-R341 VanDerWaalsContact C-N 3.31Å; I339-R341 PolarHBondContact O-N 3.12Å; R341-A345 VanDerWaalsContact O-CB 3.24Å; R341-A345 WeakPolarHBondContact O-CB 3.26Å; R341-A345 PolarHBondContact O-N 2.92Å
342M91.7Very high90Very high50 Ų5066.9 Ų66.925%0.24631%0.306CS..Hα-helixtrans-67-45.2178.3-66.6-177.2-62.600112.1S297 E298 D301 D338 I339 R340 D344 A345 R346S297-M342 WeakPolarHBondContact O-CE 3.44Å; E298-M342 HydrophobicContact CB-SD 4.44Å; E298-M342 HydrophobicContact CG-SD 3.62Å; D301-M342 HydrophobicContact CB-CE 4.02Å; D338-M342 WeakPolarHBondContact O-CG 3.3Å; D338-M342 PolarHBondContact O-N 2.95Å; D338-M342 VanDerWaalsContact O-N 3.09Å; I339-M342 HydrophobicContact CB-CE 4.39Å; I339-M342 HydrophobicContact CG1-CE 4.05Å; I339-M342 PolarHBondContact O-N 2.79Å; I339-M342 VanDerWaalsContact O-N 3.15Å; R340-M342 VanDerWaalsContact C-N 3.33Å; R340-M342 PolarHBondContact O-N 3.05Å; M342-D344 PolarHBondContact O-N 3.35Å; M342-A345 PolarHBondContact O-N 2.79Å; M342-R346 WeakPolarHBondContact O-CB 3.17Å; M342-R346 PolarHBondContact O-N 3.04Å
343T89Confident89.9Confident6 Ų670.4 Ų70.44%0.03732%0.324CS..Hα-helixtrans-64.1-42.1178.556.90000111.6Y316 I339 R340 R346 L347Y316-T343 HydrophobicContact CD1-CG2 4.3Å; Y316-T343 HydrophobicContact CE1-CG2 3.87Å; I339-T343 HydrophobicContact CG2-CG2 4.1Å; I339-T343 WeakPolarHBondContact O-CG2 3.41Å; I339-T343 PolarHBondContact O-N 3.13Å; I339-T343 PolarHBondContact O-OG1 3.28Å; R340-T343 WeakPolarHBondContact CA-OG1 3.42Å; R340-T343 PolarHBondContact O-N 3.36Å; R340-T343 PolarHBondContact O-OG1 3.14Å; T343-R346 PolarHBondContact O-N 3.5Å; T343-L347 WeakPolarHBondContact O-CB 3.48Å; T343-L347 VanDerWaalsContact O-CG 3.22Å; T343-L347 WeakPolarHBondContact O-CG 3.42Å; T343-L347 PolarHBondContact O-N 2.92Å
344D89.2Confident89.4Confident60 Ų6067.5 Ų67.532%0.32132%0.324SS..Hα-helixtrans-67.9-41.4179.3-70.7-17.1000111.3R340 M342 L347 K348 L362R340-D344 VanDerWaalsContact CG-OD2 3.25Å; R340-D344 WeakPolarHBondContact CG-OD2 3.23Å; R340-D344 VanDerWaalsContact O-CB 3.26Å; R340-D344 WeakPolarHBondContact O-CB 3.39Å; R340-D344 PolarHBondContact O-N 2.88Å; M342-D344 PolarHBondContact O-N 3.35Å; D344-L347 PolarHBondContact O-N 3.48Å; D344-K348 VanDerWaalsContact O-CB 3.23Å; D344-K348 WeakPolarHBondContact O-CB 3.24Å; D344-K348 PolarHBondContact O-N 2.93Å; D344-L362 WeakPolarHBondContact OD1-CD1 3.44Å
345A90.7Very high88.4Confident61 Ų6169.5 Ų69.550%0.50435%0.353SS..Hα-helixtrans-61.2-44.9174.800000111.6R341 M342 K348 Y349R341-A345 VanDerWaalsContact O-CB 3.24Å; R341-A345 WeakPolarHBondContact O-CB 3.26Å; R341-A345 PolarHBondContact O-N 2.92Å; M342-A345 PolarHBondContact O-N 2.79Å; A345-K348 PolarHBondContact O-N 3.34Å; A345-Y349 PolarHBondContact O-N 3.15Å
346R90.4Very high87.2Confident76 Ų7674.8 Ų74.829%0.28738%0.382SS..Hα-helixtrans-62.9-45.1176.1178.5169.856.9-142.5-2.9112.1D301 Q305 Y316 M342 T343 Y349 S350D301-R346 IonicContact OD1-CZ 2.82Å; D301-R346 IonicContact OD1-NH1 2.81Å; D301-R346 PolarHBondContact OD1-NH1 2.83Å; D301-R346 IonicContact OD1-NH2 3.42Å; D301-R346 PolarHBondContact OD1-NH2 2.85Å; D301-R346 IonicContact OD2-CZ 3.37Å; D301-R346 IonicContact OD2-NH1 3.42Å; D301-R346 PolarHBondContact OD2-NH1 3.42Å; D301-R346 IonicContact OD2-NH2 3.58Å; Q305-R346 VanDerWaalsContact CD-CZ 3.48Å; Q305-R346 VanDerWaalsContact CG-NH1 3.33Å; Q305-R346 VanDerWaalsContact NE2-CZ 3.29Å; Y316-R346 PolarHBondContact OH-NH2 3.24Å; M342-R346 WeakPolarHBondContact O-CB 3.17Å; M342-R346 PolarHBondContact O-N 3.04Å; T343-R346 PolarHBondContact O-N 3.5Å; R346-Y349 PolarHBondContact O-N 3.05Å; R346-S350 PolarHBondContact O-N 2.99Å; R346-S350 PolarHBondContact O-OG 3.37Å
347L86.4Confident85.8Confident29 Ų2981.4 Ų81.415%0.15241%0.413CS..Hα-helixtrans-64.3-42.9177.9-74.5170.2000111.9T343 D344 S350 Q351 I358 L361T343-L347 WeakPolarHBondContact O-CB 3.48Å; T343-L347 VanDerWaalsContact O-CG 3.22Å; T343-L347 WeakPolarHBondContact O-CG 3.42Å; T343-L347 PolarHBondContact O-N 2.92Å; D344-L347 PolarHBondContact O-N 3.48Å; L347-S350 PolarHBondContact O-N 3.15Å; L347-Q351 WeakPolarHBondContact O-CG 3.47Å; L347-Q351 PolarHBondContact O-N 3.23Å; L347-I358 HydrophobicContact CD2-CB 4.36Å; L347-I358 HydrophobicContact CD2-CG2 3.58Å; L347-L361 HydrophobicContact CD1-CB 4.42Å
348K88.1Confident84.4Confident123 Ų12381 Ų8154%0.53542%0.415SS..Hα-helixtrans-59.2-47.2176.1-178.5178.1172.6-178.10111D344 A345 S350 Q351 E352D344-K348 VanDerWaalsContact O-CB 3.23Å; D344-K348 WeakPolarHBondContact O-CB 3.24Å; D344-K348 PolarHBondContact O-N 2.93Å; A345-K348 PolarHBondContact O-N 3.34Å; K348-S350 PolarHBondContact O-N 2.88Å; K348-Q351 PolarHBondContact O-N 3.48Å; K348-E352 WeakPolarHBondContact CE-OE1 3.26Å; K348-E352 WeakPolarHBondContact CG-OE1 3.42Å; K348-E352 IonicContact NZ-OE1 2.88Å; K348-E352 WeakPolarHBondContact O-CB 3.33Å; K348-E352 VanDerWaalsContact O-CG 3.31Å; K348-E352 WeakPolarHBondContact O-CG 3.44Å; K348-E352 PolarHBondContact O-N 3.28Å
349Y88.8Confident82.7Confident161 Ų16187.5 Ų87.563%0.63145%0.445SS*.Hα-helixtrans-59.7-43.2176.1-177.9-100.2000112.5A345 R346 E352 T353A345-Y349 PolarHBondContact O-N 3.15Å; R346-Y349 PolarHBondContact O-N 3.05Å; Y349-E352 PolarHBondContact O-N 3.1Å; Y349-T353 WeakPolarHBondContact O-CB 3.24Å; Y349-T353 PolarHBondContact O-N 3.02Å; Y349-T353 PolarHBondContact O-OG1 3.42Å
350S85.6Confident80.8Confident41 Ų4190.4 Ų90.429%0.28747%0.469SS..Hα-helixtrans-64.9-40.3175-61.50000113.3R346 L347 K348 T353 S354R346-S350 PolarHBondContact O-N 2.99Å; R346-S350 PolarHBondContact O-OG 3.37Å; L347-S350 PolarHBondContact O-N 3.15Å; K348-S350 PolarHBondContact O-N 2.88Å; S350-T353 PolarHBondContact O-N 3.38Å; S350-S354 WeakPolarHBondContact O-CB 3.44Å; S350-S354 PolarHBondContact O-N 3.35Å; S350-S354 PolarHBondContact O-OG 3.03Å
351Q84.2Confident79.1Confident78 Ų7888.5 Ų88.536%0.36447%0.466SS..Hα-helixtrans-63.3-45.1175.6-74175.6-5.800111.5L347 K348 T353 G355 I358L347-Q351 WeakPolarHBondContact O-CG 3.47Å; L347-Q351 PolarHBondContact O-N 3.23Å; K348-Q351 PolarHBondContact O-N 3.48Å; Q351-T353 VanDerWaalsContact C-N 3.26Å; Q351-T353 PolarHBondContact O-N 3.45Å; Q351-G355 PolarHBondContact O-N 2.85Å; Q351-I358 HydrophobicContact CG-CB 4.08Å; Q351-I358 HydrophobicContact CG-CD1 4.41Å; Q351-I358 HydrophobicContact CG-CG1 4.2Å; Q351-I358 PolarHBondContact NE2-O 3.25Å
352E88.6Confident76.9Confident133 Ų13384.2 Ų84.262%0.62145%0.454SS*.Hα-helixtrans-62.2-33.2177.4-73172.2177.700112.2K348 Y349K348-E352 WeakPolarHBondContact CE-OE1 3.26Å; K348-E352 WeakPolarHBondContact CG-OE1 3.42Å; K348-E352 IonicContact NZ-OE1 2.88Å; K348-E352 WeakPolarHBondContact O-CB 3.33Å; K348-E352 VanDerWaalsContact O-CG 3.31Å; K348-E352 WeakPolarHBondContact O-CG 3.44Å; K348-E352 PolarHBondContact O-N 3.28Å; Y349-E352 PolarHBondContact O-N 3.1Å
353T88Confident74.5Confident94 Ų9485.1 Ų85.158%0.57747%0.469SS*.Hα-helixtrans-86.9-36.6-177.3-52.70000112.8Y349 S350 Q351Y349-T353 WeakPolarHBondContact O-CB 3.24Å; Y349-T353 PolarHBondContact O-N 3.02Å; Y349-T353 PolarHBondContact O-OG1 3.42Å; S350-T353 PolarHBondContact O-N 3.38Å; Q351-T353 VanDerWaalsContact C-N 3.26Å; Q351-T353 PolarHBondContact O-N 3.45Å
354S79.6Confident72.4Confident75 Ų7592.1 Ų92.152%0.52450%0.496SS..Hα-helixtrans-99.8-12.2-173.5-58.30000114.7S350 N356S350-S354 WeakPolarHBondContact O-CB 3.44Å; S350-S354 PolarHBondContact O-N 3.35Å; S350-S354 PolarHBondContact O-OG 3.03Å; S354-N356 PolarHBondContact O-N 2.88Å
355G72.7Confident70.4Confident70 Ų7090.5 Ų90.572%0.72249%0.487SS*.  trans67.1-3.2-176.700000115.2Q351Q351-G355 PolarHBondContact O-N 2.85Å
356N66.3Low68.2Low114 Ų11488.5 Ų88.561%0.6147%0.472SS*.SBendtrans-89.9136179-74.5-25.5000110.7S354 I358S354-N356 PolarHBondContact O-N 2.88Å; N356-I358 PolarHBondContact O-N 2.96Å; N356-I358 VanDerWaalsContact O-N 3.07Å
357Q62.5Low66.1Low194 Ų19495.2 Ų95.291%0.90750%0.498SS*.  trans-69.2104.3169.9-71.6-171.2-5.900109.7
358I61Low64.4Low58 Ų5895.1 Ų95.130%0.29750%0.497SS..PPolyproline II helixtrans-88.7123.1173.5-55.4173.3000108.2L347 Q351 N356 A360L347-I358 HydrophobicContact CD2-CB 4.36Å; L347-I358 HydrophobicContact CD2-CG2 3.58Å; Q351-I358 HydrophobicContact CG-CB 4.08Å; Q351-I358 HydrophobicContact CG-CD1 4.41Å; Q351-I358 HydrophobicContact CG-CG1 4.2Å; Q351-I358 PolarHBondContact NE2-O 3.25Å; N356-I358 PolarHBondContact O-N 2.96Å; N356-I358 VanDerWaalsContact O-N 3.07Å; I358-A360 PolarHBondContact O-N 3.04Å
359Q57.9Low62.4Low162 Ų16294.3 Ų94.376%0.75749%0.492SS*.PPolyproline II helixtrans-63.1131.1178-167.3172.816.300110.9L361Q359-L361 PolarHBondContact O-N 3.02Å
360A53.7Low60.5Low64 Ų6491.4 Ų91.453%0.52949%0.487SS..PPolyproline II helixtrans-61.6132.8179.200000111I358 L362I358-A360 PolarHBondContact O-N 3.04Å; A360-L362 PolarHBondContact O-N 3.08Å
361L53.8Low58.8Low57 Ų5792.7 Ų92.730%0.29850%0.5SS..  trans-69.88.5-174.9-144.780.2000114.2R313 Y316 L347 Q359R313-L361 HydrophobicContact CG-CD1 3.79Å; Y316-L361 HydrophobicContact CD2-CD2 3.24Å; Y316-L361 HydrophobicContact CE2-CD2 3.83Å; Y316-L361 HydrophobicContact CG-CD2 3.68Å; L347-L361 HydrophobicContact CD1-CB 4.42Å; Q359-L361 PolarHBondContact O-N 3.02Å
362L47Very low57.7Low62 Ų6290.7 Ų90.733%0.32549%0.493SS..  trans-104.992-154.2-80.1167.7000113.6R340 D344 A360R340-L362 HydrophobicContact CB-CD2 4.24Å; R340-L362 HydrophobicContact CG-CD1 3.8Å; R340-L362 HydrophobicContact CG-CD2 3.89Å; R340-L362 HydrophobicContact CG-CG 4.49Å; D344-L362 WeakPolarHBondContact OD1-CD1 3.44Å; A360-L362 PolarHBondContact O-N 3.08Å
363A41Very low56.7Low69 Ų6985 Ų8557%0.5747%0.467SS*.SBendtrans-151.3123.3149.200000108.8
364Y43.8Very low56.3Low154 Ų15484.2 Ų84.260%0.60446%0.459SS*.  trans83.591.8178.1-73.5-105.2000117.3S317S317-Y364 CarbonylContact C-O 3.34Å; S317-Y364 WeakPolarHBondContact CA-O 3.45Å
365L47.2Very low56.6Low26 Ų2681.5 Ų81.514%0.13644%0.437CS..  trans-92.3112.9135.1-92.9124.7000104.9I319 Q336I319-L365 HydrophobicContact CB-CD2 3.83Å; I319-L365 HydrophobicContact CD1-CD2 3.84Å; I319-L365 HydrophobicContact CG1-CD2 3.88Å; Q336-L365 HydrophobicContact CB-CB 3.91Å; Q336-L365 HydrophobicContact CB-CD1 3.83Å; Q336-L365 HydrophobicContact CB-CD2 3.96Å; Q336-L365 HydrophobicContact CB-CG 4.09Å; Q336-L365 VanDerWaalsContact CD-CB 3.43Å; Q336-L365 HydrophobicContact CG-CB 3.7Å; Q336-L365 HydrophobicContact CG-CD1 3.62Å; Q336-L365 HydrophobicContact CG-CG 4.12Å
366G46.1Very low57.3Low18 Ų1878.4 Ų78.419%0.18641%0.405CS..  trans-56.8138.7-173.800000111.9N368G366-N368 VanDerWaalsContact C-N 3.31Å; G366-N368 PolarHBondContact O-N 3.42Å
367R46.5Very low58.6Low217 Ų21773.3 Ų73.382%0.81938%0.378SS*.  trans-72.183173.4-68-177.8-172.5179.43.3110.1Y369R367-Y369 VanDerWaalsContact C-N 3.33Å; R367-Y369 PolarHBondContact O-N 3.02Å
368N49.9Very low60.1Low27 Ų2764.1 Ų64.114%0.14434%0.335CS..  trans-90.973.6171.5-70.5-25.4000110.5G366G366-N368 VanDerWaalsContact C-N 3.31Å; G366-N368 PolarHBondContact O-N 3.42Å
369Y46Very low61.6Low107 Ų10762.5 Ų62.542%0.4233%0.326SS..  trans-117.697.5162.6-61.5-82.6000107.2K155 R367K155-Y369 PolarHBondContact NZ-O 3.49Å; R367-Y369 VanDerWaalsContact C-N 3.33Å; R367-Y369 PolarHBondContact O-N 3.02Å
370N48.7Very low63.2Low100 Ų10054.8 Ų54.854%0.53529%0.29SS..SBendtrans-153.1159.7157.3-91.52.7000108K155 T372 V373K155-N370 WeakPolarHBondContact CE-ND2 3.36Å; K155-N370 PolarHBondContact NZ-ND2 3.02Å; K155-N370 PolarHBondContact NZ-OD1 2.81Å; N370-T372 PolarHBondContact O-N 3.02Å; N370-V373 PolarHBondContact O-N 3.46Å
371A49.4Very low65.1Low67 Ų6751.8 Ų51.855%0.55427%0.265SS*.G310 helixtrans-50.8-23-17900000115V373A371-V373 VanDerWaalsContact C-N 3.29Å; A371-V373 PolarHBondContact O-N 3.47Å
372T61Low67Low36 Ų3649.1 Ų49.122%0.22125%0.251CS..G310 helixtrans-74.3-7.6-176.358.50000115.2N370 I374 Y375 A376N370-T372 PolarHBondContact O-N 3.02Å; T372-I374 PolarHBondContact O-N 2.93Å; T372-Y375 HydrophobicContact CG2-CE2 3.89Å; T372-Y375 CarbonylContact O-C 3.51Å; T372-Y375 PolarHBondContact O-N 3.34Å; T372-A376 VanDerWaalsContact O-CA 3.28Å; T372-A376 WeakPolarHBondContact O-CA 3.2Å; T372-A376 PolarHBondContact O-N 3.07Å
373V68.6Low69.1Low13 Ų1348.6 Ų48.68%0.07925%0.248CC..G310 helixtrans-63.1-31.2-178.6170.90000112.1G323 S326 M327 N370 A371 Y375G323-V373 PolarHBondContact N-O 3.06Å; S326-V373 VanDerWaalsContact OG-CG1 3.25Å; S326-V373 WeakPolarHBondContact OG-CG1 3.4Å; M327-V373 HydrophobicContact CG-CG1 4.45Å; M327-V373 HydrophobicContact SD-CB 3.47Å; M327-V373 WeakPolarHBondContact SD-CB 3.31Å; M327-V373 HydrophobicContact SD-CG1 3.6Å; N370-V373 PolarHBondContact O-N 3.46Å; A371-V373 VanDerWaalsContact C-N 3.29Å; A371-V373 PolarHBondContact O-N 3.47Å; V373-Y375 VanDerWaalsContact C-N 3.25Å; V373-Y375 PolarHBondContact O-N 3.16Å
374I79.1Confident71.5Confident79 Ų7945.7 Ų45.741%0.40522%0.223SC..G310 helixtrans-58.8-39.6178.3-63.6172.6000111.5M327 T372M327-I374 HydrophobicContact CE-CD1 3.98Å; M327-I374 HydrophobicContact CE-CG1 3.74Å; M327-I374 HydrophobicContact CG-CG1 3.64Å; M327-I374 HydrophobicContact SD-CG1 3.71Å; T372-I374 PolarHBondContact O-N 2.93Å
375Y86.4Confident73.8Confident17 Ų1738.4 Ų38.47%0.06719%0.194CC..G310 helixtrans-124.331.2-17452.7-100.9000111.3S25 E26 P27 T372 V373 V377 W378 F379S25-Y375 WeakPolarHBondContact O-CE2 3.32Å; E26-Y375 HydrophobicContact CG-CE2 4.44Å; E26-Y375 WeakPolarHBondContact CG-OH 3.25Å; E26-Y375 PolarHBondContact OE1-OH 3.19Å; P27-Y375 HydrophobicContact CG-CD2 4.38Å; P27-Y375 HydrophobicContact CG-CG 4.04Å; T372-Y375 HydrophobicContact CG2-CE2 3.89Å; T372-Y375 CarbonylContact O-C 3.51Å; T372-Y375 PolarHBondContact O-N 3.34Å; V373-Y375 VanDerWaalsContact C-N 3.25Å; V373-Y375 PolarHBondContact O-N 3.16Å; Y375-V377 PolarHBondContact O-N 3.32Å; Y375-W378 PolarHBondContact O-N 3.14Å; Y375-F379 HydrophobicContact CD2-CB 3.94Å; Y375-F379 HydrophobicContact CE2-CB 4.24Å; Y375-F379 WeakPolarHBondContact O-CB 3.1Å; Y375-F379 PolarHBondContact O-N 2.76Å
376A88.2Confident75.7Confident6 Ų638.7 Ų38.75%0.0520%0.204CC..Hα-helixtrans-55.6-41.3-175.100000112.2A151 T372 F379 G380A151-A376 HydrophobicContact CB-CB 4.22Å; A151-A376 WeakPolarHBondContact CB-O 3.39Å; T372-A376 VanDerWaalsContact O-CA 3.28Å; T372-A376 WeakPolarHBondContact O-CA 3.2Å; T372-A376 PolarHBondContact O-N 3.07Å; A376-F379 PolarHBondContact O-N 2.99Å; A376-G380 PolarHBondContact O-N 3.08Å
377V92.4Very high77.8Confident7 Ų739.1 Ų39.14%0.04220%0.203CC..Hα-helixtrans-57.6-56.1174.2176.70000110.7D11 T113 Q144 L147 Y375 F379 G380 G381D11-V377 HydrophobicContact CB-CG1 4.28Å; T113-V377 HydrophobicContact CG2-CG1 3.69Å; Q144-V377 HydrophobicContact CB-CG1 4.05Å; Q144-V377 HydrophobicContact CB-CG2 4.07Å; Q144-V377 HydrophobicContact CG-CG1 3.82Å; Q144-V377 HydrophobicContact CG-CG2 4.46Å; L147-V377 HydrophobicContact CB-CG1 4.26Å; L147-V377 WeakPolarHBondContact CB-O 3.3Å; L147-V377 HydrophobicContact CD1-CG1 3.88Å; L147-V377 WeakPolarHBondContact CD1-O 3.11Å; Y375-V377 PolarHBondContact O-N 3.32Å; V377-F379 VanDerWaalsContact C-N 3.34Å; V377-F379 PolarHBondContact O-N 3.27Å; V377-G380 PolarHBondContact O-N 3.08Å; V377-G381 PolarHBondContact O-N 3.29Å
378W94.8Very high79.8Confident0 Ų031.5 Ų31.50%019%0.186CC..Hα-helixtrans-60.3-43.2-179.6-17592.9000111.9V9 D11 K18 N24 E26 P27 Y375 G381 S382V9-W378 HydrophobicContact CB-CZ2 4.42Å; V9-W378 HydrophobicContact CG1-CG 4.27Å; V9-W378 PolarHBondContact O-NE1 2.68Å; D11-W378 HydrophobicContact CB-CB 4.05Å; K18-W378 HydrophobicContact CB-CB 4.14Å; K18-W378 HydrophobicContact CB-CG 4.04Å; N24-W378 HydrophobicContact CB-CH2 4Å; E26-W378 VanDerWaalsContact C-CH2 3.45Å; E26-W378 WeakPolarHBondContact O-CH2 3.33Å; E26-W378 WeakPolarHBondContact O-CZ3 3.22Å; P27-W378 HydrophobicContact CB-CD2 3.87Å; P27-W378 HydrophobicContact CB-CE3 4.18Å; P27-W378 HydrophobicContact CB-CG 4.28Å; P27-W378 HydrophobicContact CB-CZ2 4.28Å; P27-W378 HydrophobicContact CG-CB 4.36Å; P27-W378 HydrophobicContact CG-CD2 3.59Å; P27-W378 HydrophobicContact CG-CE3 3.63Å; P27-W378 HydrophobicContact CG-CG 3.89Å; P27-W378 HydrophobicContact CG-CZ3 4.27Å; P27-W378 VanDerWaalsContact N-CZ3 3.3Å; Y375-W378 PolarHBondContact O-N 3.14Å; W378-G381 CarbonylContact O-C 3.51Å; W378-G381 WeakPolarHBondContact O-CA 3.29Å; W378-G381 PolarHBondContact O-N 3.16Å; W378-G381 VanDerWaalsContact O-N 3.15Å; W378-S382 PolarHBondContact O-N 3.44Å
379F92.3Very high81.7Confident25 Ų2531.3 Ų31.311%0.1119%0.19CC..Hα-helixtrans-64-43178.4177.2-109.6000112.1S25 A151 C154 Y375 A376 V377 G381 S382 M383S25-F379 VanDerWaalsContact O-CD2 3.26Å; S25-F379 WeakPolarHBondContact O-CD2 3.16Å; A151-F379 HydrophobicContact CB-CD1 3.79Å; C154-F379 HydrophobicContact CB-CE1 4.41Å; C154-F379 VanDerWaalsContact SG-CE1 3.57Å; C154-F379 VanDerWaalsContact SG-CZ 3.57Å; Y375-F379 HydrophobicContact CD2-CB 3.94Å; Y375-F379 HydrophobicContact CE2-CB 4.24Å; Y375-F379 WeakPolarHBondContact O-CB 3.1Å; Y375-F379 PolarHBondContact O-N 2.76Å; A376-F379 PolarHBondContact O-N 2.99Å; V377-F379 VanDerWaalsContact C-N 3.34Å; V377-F379 PolarHBondContact O-N 3.27Å; F379-G381 VanDerWaalsContact C-N 3.28Å; F379-G381 PolarHBondContact O-N 3.41Å; F379-S382 PolarHBondContact O-N 2.83Å; F379-M383 HydrophobicContact CD1-CG 4.47Å; F379-M383 HydrophobicContact CD1-SD 4.03Å; F379-M383 HydrophobicContact CE1-CG 4.1Å; F379-M383 HydrophobicContact CE1-SD 3.35Å; F379-M383 WeakPolarHBondContact CE1-SD 3.45Å; F379-M383 HydrophobicContact CE2-CG 4.12Å; F379-M383 HydrophobicContact CE2-SD 4.35Å; F379-M383 HydrophobicContact CZ-CG 3.91Å; F379-M383 HydrophobicContact CZ-SD 3.54Å; F379-M383 VanDerWaalsContact CZ-SD 3.54Å; F379-M383 WeakPolarHBondContact O-CG 3.42Å; F379-M383 PolarHBondContact O-N 3.18Å
380G91.4Very high84Confident0 Ų026.2 Ų26.20%017%0.17CC..Hα-helixtrans-59.8-40.7172.600000111.9A376 V377 L384A376-G380 PolarHBondContact O-N 3.08Å; V377-G380 PolarHBondContact O-N 3.08Å; G380-L384 WeakPolarHBondContact O-CB 3.48Å; G380-L384 WeakPolarHBondContact O-CG 3.23Å; G380-L384 PolarHBondContact O-N 2.57Å
381G94.3Very high86.1Confident0 Ų023.5 Ų23.50%015%0.153CC..Hα-helixtrans-60.5-50.1172.200000112.5V377 W378 F379 M383 L384 A385V377-G381 PolarHBondContact O-N 3.29Å; W378-G381 CarbonylContact O-C 3.51Å; W378-G381 WeakPolarHBondContact O-CA 3.29Å; W378-G381 PolarHBondContact O-N 3.16Å; W378-G381 VanDerWaalsContact O-N 3.15Å; F379-G381 VanDerWaalsContact C-N 3.28Å; F379-G381 PolarHBondContact O-N 3.41Å; G381-M383 VanDerWaalsContact C-N 3.35Å; G381-M383 PolarHBondContact O-N 2.91Å; G381-L384 PolarHBondContact O-N 3.28Å; G381-A385 WeakPolarHBondContact O-CB 3.39Å; G381-A385 PolarHBondContact O-N 3.06Å
382S93.8Very high88.2Confident1 Ų128.4 Ų28.41%0.00716%0.164CC..Hα-helixtrans-57.3-45.2177.3176.30000112.3G23 N24 W378 F379 G386G23-S382 PolarHBondContact N-O 3.36Å; G23-S382 PolarHBondContact N-OG 2.77Å; N24-S382 PolarHBondContact N-OG 3.43Å; N24-S382 PolarHBondContact O-OG 3Å; W378-S382 PolarHBondContact O-N 3.44Å; F379-S382 PolarHBondContact O-N 2.83Å; S382-G386 PolarHBondContact O-N 2.86Å; S382-G386 VanDerWaalsContact O-N 3.14Å
383M90.7Very high89.8Confident52 Ų5227.6 Ų27.626%0.25616%0.161SC..Hα-helixtrans-62-48.4176.4-74.3-172.473.500112.4C154 F379 G381 G386C154-M383 WeakPolarHBondContact SG-CE 3.44Å; C154-M383 PolarHBondContact SG-SD 3.1Å; F379-M383 HydrophobicContact CD1-CG 4.47Å; F379-M383 HydrophobicContact CD1-SD 4.03Å; F379-M383 HydrophobicContact CE1-CG 4.1Å; F379-M383 HydrophobicContact CE1-SD 3.35Å; F379-M383 WeakPolarHBondContact CE1-SD 3.45Å; F379-M383 HydrophobicContact CE2-CG 4.12Å; F379-M383 HydrophobicContact CE2-SD 4.35Å; F379-M383 HydrophobicContact CZ-CG 3.91Å; F379-M383 HydrophobicContact CZ-SD 3.54Å; F379-M383 VanDerWaalsContact CZ-SD 3.54Å; F379-M383 WeakPolarHBondContact O-CG 3.42Å; F379-M383 PolarHBondContact O-N 3.18Å; G381-M383 VanDerWaalsContact C-N 3.35Å; G381-M383 PolarHBondContact O-N 2.91Å; M383-G386 PolarHBondContact O-N 3.12Å
384L91.4Very high91.1Very high8 Ų827.2 Ų27.24%0.04216%0.159CC..Hα-helixtrans-68.5-41.1-178.4-72.2-178.2000111.5L147 A150 W153 G380 G381 G386 T387 F390 F414L147-L384 HydrophobicContact CD2-CD1 3.64Å; A150-L384 HydrophobicContact CB-CD1 4.14Å; A150-L384 HydrophobicContact CB-CG 4.31Å; W153-L384 HydrophobicContact CH2-CD2 4.45Å; W153-L384 HydrophobicContact CZ3-CD2 4.11Å; G380-L384 WeakPolarHBondContact O-CB 3.48Å; G380-L384 WeakPolarHBondContact O-CG 3.23Å; G380-L384 PolarHBondContact O-N 2.57Å; G381-L384 PolarHBondContact O-N 3.28Å; L384-G386 PolarHBondContact O-N 2.83Å; L384-T387 WeakPolarHBondContact O-CB 3.17Å; L384-T387 PolarHBondContact O-N 2.86Å; L384-T387 PolarHBondContact O-OG1 3.14Å; L384-F390 WeakPolarHBondContact O-CB 3.43Å; L384-F414 HydrophobicContact CB-CE2 3.81Å; L384-F414 HydrophobicContact CB-CZ 3.88Å; L384-F414 HydrophobicContact CD2-CD2 4.4Å; L384-F414 HydrophobicContact CD2-CE2 4.05Å; L384-F414 HydrophobicContact CG-CE2 4.36Å
385A92.4Very high92Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-62.3-30.6178.800000112.2P7 V9 L111 G381 T387 F390P7-A385 HydrophobicContact CB-CB 4.2Å; P7-A385 HydrophobicContact CG-CB 3.51Å; P7-A385 WeakPolarHBondContact CG-O 3.37Å; V9-A385 HydrophobicContact CG2-CB 3.94Å; L111-A385 HydrophobicContact CD1-CB 4.14Å; G381-A385 WeakPolarHBondContact O-CB 3.39Å; G381-A385 PolarHBondContact O-N 3.06Å; A385-T387 PolarHBondContact O-N 3.46Å; A385-F390 HydrophobicContact CB-CD1 4.39Å; A385-F390 HydrophobicContact CB-CD2 4.23Å; A385-F390 HydrophobicContact CB-CE1 4.45Å; A385-F390 HydrophobicContact CB-CE2 4.27Å; A385-F390 HydrophobicContact CB-CG 4.28Å; A385-F390 HydrophobicContact CB-CZ 4.39Å; A385-F390 WeakPolarHBondContact O-CD1 3.44Å
386G87Confident92.5Very high33 Ų3325.8 Ų25.834%0.3415%0.154SC..THydrogen-bonded Turntrans-69.6-4172.800000115.4M1 S382 M383 L384M1-G386 VanDerWaalsContact CE-O 3.27Å; M1-G386 WeakPolarHBondContact CE-O 2.89Å; S382-G386 PolarHBondContact O-N 2.86Å; S382-G386 VanDerWaalsContact O-N 3.14Å; M383-G386 PolarHBondContact O-N 3.12Å; L384-G386 PolarHBondContact O-N 2.83Å
387T88.8Confident93Very high27 Ų2728 Ų2817%0.16616%0.162CC..SBendtrans-96.9156.5-176.9720000113.2L384 A385 G389 F390 Y422L384-T387 WeakPolarHBondContact O-CB 3.17Å; L384-T387 PolarHBondContact O-N 2.86Å; L384-T387 PolarHBondContact O-OG1 3.14Å; A385-T387 PolarHBondContact O-N 3.46Å; T387-G389 PolarHBondContact O-N 3.03Å; T387-F390 WeakPolarHBondContact O-CB 3.38Å; T387-F390 PolarHBondContact O-N 2.66Å; T387-F390 PolarHBondContact OG1-N 2.86Å; T387-Y422 HydrophobicContact CG2-CE1 4.49Å
388A89.1Confident93.2Very high57 Ų5731 Ų3147%0.47119%0.188SC..Hα-helixtrans-63.5-28.9173.300000112.8F390 Y391A388-F390 VanDerWaalsContact C-N 3.28Å; A388-F390 PolarHBondContact O-N 3.38Å; A388-Y391 PolarHBondContact O-N 3.29Å
389G90.4Very high93.3Very high22 Ų2233.9 Ų33.923%0.22720%0.201CC..Hα-helixtrans-64.6-31.1178.300000113.1T387 Y391 Q392 A393T387-G389 PolarHBondContact O-N 3.03Å; G389-Y391 PolarHBondContact O-N 3.32Å; G389-Q392 PolarHBondContact O-N 3.45Å; G389-A393 WeakPolarHBondContact O-CB 3.44Å; G389-A393 PolarHBondContact O-N 3.09Å
390F93.8Very high93.5Very high0 Ų033.1 Ų33.10%020%0.198CC..Hα-helixtrans-59.7-48.2176.7165.9-104000112.5P7 Y109 L111 Y140 L384 A385 T387 A388 Q392 A393 S394 F414P7-F390 HydrophobicContact CB-CD1 4.42Å; P7-F390 HydrophobicContact CB-CE1 3.55Å; P7-F390 HydrophobicContact CB-CZ 3.92Å; P7-F390 HydrophobicContact CG-CD1 4.39Å; P7-F390 HydrophobicContact CG-CE1 3.97Å; Y109-F390 HydrophobicContact CD1-CE1 4.24Å; Y109-F390 HydrophobicContact CG-CE1 4.38Å; L111-F390 HydrophobicContact CB-CE2 3.89Å; L111-F390 HydrophobicContact CB-CZ 4.35Å; L111-F390 HydrophobicContact CD1-CD2 4.2Å; L111-F390 HydrophobicContact CD1-CE2 3.99Å; L111-F390 HydrophobicContact CG-CE2 4.31Å; Y140-F390 HydrophobicContact CG-CE2 4.39Å; L384-F390 WeakPolarHBondContact O-CB 3.43Å; A385-F390 HydrophobicContact CB-CD1 4.39Å; A385-F390 HydrophobicContact CB-CD2 4.23Å; A385-F390 HydrophobicContact CB-CE1 4.45Å; A385-F390 HydrophobicContact CB-CE2 4.27Å; A385-F390 HydrophobicContact CB-CG 4.28Å; A385-F390 HydrophobicContact CB-CZ 4.39Å; A385-F390 WeakPolarHBondContact O-CD1 3.44Å; T387-F390 WeakPolarHBondContact O-CB 3.38Å; T387-F390 PolarHBondContact O-N 2.66Å; T387-F390 PolarHBondContact OG1-N 2.86Å; A388-F390 VanDerWaalsContact C-N 3.28Å; A388-F390 PolarHBondContact O-N 3.38Å; F390-Q392 PolarHBondContact O-N 2.81Å; F390-A393 PolarHBondContact O-N 2.85Å; F390-S394 WeakPolarHBondContact O-CB 3.23Å; F390-S394 PolarHBondContact O-N 3.1Å; F390-S394 PolarHBondContact O-OG 3.17Å; F390-F414 HydrophobicContact CB-CE2 3.94Å; F390-F414 HydrophobicContact CB-CZ 3.72Å; F390-F414 HydrophobicContact CD2-CZ 4.08Å; F390-F414 HydrophobicContact CG-CZ 4.42Å
391Y93.6Very high93.8Very high43 Ų4339.3 Ų39.317%0.16922%0.222CC..Hα-helixtrans-66.5-24.6179.5-63.7-76.1000113.3Y109 A388 G389Y109-Y391 AromaticContact CD1-CD1 3.74Å; Y109-Y391 HydrophobicContact CD1-CD1 3.74Å; Y109-Y391 HydrophobicContact CD1-CE1 4.26Å; Y109-Y391 HydrophobicContact CD2-CD1 4.32Å; Y109-Y391 HydrophobicContact CD2-CE1 4.26Å; Y109-Y391 AromaticContact CE1-CD1 3.92Å; Y109-Y391 HydrophobicContact CE1-CD1 3.92Å; Y109-Y391 AromaticContact CG-CD1 3.95Å; Y109-Y391 HydrophobicContact CG-CD1 3.95Å; Y109-Y391 HydrophobicContact CG-CE1 4.01Å; A388-Y391 PolarHBondContact O-N 3.29Å; G389-Y391 PolarHBondContact O-N 3.32Å
392Q92.8Very high94Very high171 Ų17146.6 Ų46.680%0.79926%0.256SS*.Hα-helixtrans-80.9-31.8175.9-66.6176.2-4.800112.2G389 F390G389-Q392 PolarHBondContact O-N 3.45Å; F390-Q392 PolarHBondContact O-N 2.81Å
393A94.4Very high94.1Very high18 Ų1851.9 Ų51.915%0.14928%0.279CS..Hα-helixtrans-87.7-18-179.500000113.4Y140 G389 F390 F414Y140-A393 HydrophobicContact CD2-CB 4.22Å; Y140-A393 HydrophobicContact CE2-CB 3.95Å; G389-A393 WeakPolarHBondContact O-CB 3.44Å; G389-A393 PolarHBondContact O-N 3.09Å; F390-A393 PolarHBondContact O-N 2.85Å; A393-F414 HydrophobicContact CB-CD1 3.57Å; A393-F414 HydrophobicContact CB-CE1 3.93Å; A393-F414 HydrophobicContact CB-CG 4.3Å
394S96.2Very high94.4Very high5 Ų550.4 Ų50.44%0.03528%0.277CS..SBendtrans-72.2139178.2-59.80000111.1F390F390-S394 WeakPolarHBondContact O-CB 3.23Å; F390-S394 PolarHBondContact O-N 3.1Å; F390-S394 PolarHBondContact O-OG 3.17Å
395H97.6Very high94.6Very high30 Ų3052.3 Ų52.314%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-76.3132.1171.8-61.6-63.2000109.3F131 G138 L139 I407 H410 N411F131-H395 WeakPolarHBondContact CZ-O 3.47Å; G138-H395 CarbonylContact C-O 3.57Å; G138-H395 WeakPolarHBondContact CA-O 3.35Å; L139-H395 PolarHBondContact N-O 2.81Å; L139-H395 PolarHBondContact O-N 2.91Å; H395-I407 HydrophobicContact CB-CD1 3.89Å; H395-I407 HydrophobicContact CB-CG1 4.31Å; H395-I407 PolarHBondContact CE1-O 2.86Å; H395-I407 PolarHBondContact NE2-O 2.84Å; H395-H410 PolarHBondContact CE1-O 3.28Å; H395-H410 PolarHBondContact NE2-O 3.11Å; H395-N411 PolarHBondContact CD2-OD1 3.41Å; H395-N411 PolarHBondContact NE2-OD1 3.49Å
396T97.6Very high94.8Very high37 Ų3755.4 Ų55.423%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-89.3154.6-179.963.10000111.9P137 A398 E399 Y400P137-T396 WeakPolarHBondContact O-CA 3.26Å; T396-A398 PolarHBondContact O-N 3.09Å; T396-E399 PolarHBondContact N-OE2 3.16Å; T396-E399 PolarHBondContact O-N 2.86Å; T396-E399 VanDerWaalsContact O-N 3.1Å; T396-E399 VanDerWaalsContact OG1-CG 3.24Å; T396-E399 WeakPolarHBondContact OG1-CG 3.44Å; T396-E399 PolarHBondContact OG1-N 3.48Å; T396-E399 PolarHBondContact OG1-OE2 2.88Å; T396-Y400 PolarHBondContact O-N 2.74Å
397K97.3Very high95.2Very high52 Ų5255.2 Ų55.223%0.22630%0.303CS..Hα-helixtrans-53.7-40.7172.9-169.6175-174.4175.50112.2F131 N135 V136 P137 Y400 Y401F131-K397 HydrophobicContact CD1-CB 3.88Å; F131-K397 HydrophobicContact CD1-CG 4.01Å; F131-K397 HydrophobicContact CE1-CB 4.02Å; N135-K397 VanDerWaalsContact CA-NZ 3.33Å; N135-K397 PolarHBondContact O-NZ 2.84Å; N135-K397 PolarHBondContact OD1-NZ 3.22Å; V136-K397 WeakPolarHBondContact O-CB 3.09Å; P137-K397 PolarHBondContact O-N 2.69Å; K397-Y400 WeakPolarHBondContact O-CB 3.44Å; K397-Y400 PolarHBondContact O-N 3.39Å; K397-Y401 HydrophobicContact CD-CE2 4.21Å; K397-Y401 HydrophobicContact CG-CD2 3.86Å; K397-Y401 HydrophobicContact CG-CE2 3.62Å; K397-Y401 VanDerWaalsContact O-CD2 3.23Å; K397-Y401 WeakPolarHBondContact O-CD2 3.39Å; K397-Y401 PolarHBondContact O-N 3.11Å; K397-Y401 VanDerWaalsContact O-N 3.09Å
398A97Very high95.6Very high71 Ų7154 Ų5459%0.58730%0.295SS*.Hα-helixtrans-61.2-45.1177.800000111.9T396 Y401 E402T396-A398 PolarHBondContact O-N 3.09Å; A398-Y401 PolarHBondContact O-N 3.28Å; A398-E402 WeakPolarHBondContact O-CB 3.08Å; A398-E402 PolarHBondContact O-N 2.8Å
399E97Very high95.9Very high60 Ų6056.1 Ų56.128%0.2829%0.291SS..Hα-helixtrans-66.5-37176.4-71.4170.9123.900112.5T396 E402 K403 I407T396-E399 PolarHBondContact N-OE2 3.16Å; T396-E399 PolarHBondContact O-N 2.86Å; T396-E399 VanDerWaalsContact O-N 3.1Å; T396-E399 VanDerWaalsContact OG1-CG 3.24Å; T396-E399 WeakPolarHBondContact OG1-CG 3.44Å; T396-E399 PolarHBondContact OG1-N 3.48Å; T396-E399 PolarHBondContact OG1-OE2 2.88Å; E399-E402 PolarHBondContact O-N 3.36Å; E399-K403 WeakPolarHBondContact O-CB 3.19Å; E399-K403 PolarHBondContact O-N 3.34Å; E399-K403 IonicContact OE1-NZ 3.95Å; E399-K403 PolarHBondContact OE1-NZ 3.44Å; E399-I407 HydrophobicContact CB-CD1 3.82Å
400Y98Very high96.1Very high8 Ų860.6 Ų60.63%0.03131%0.305CS..Hα-helixtrans-58.8-48.2175.6178-90.9000111.3A127 E128 F131 E132 T396 K397 G404 P405A127-Y400 HydrophobicContact CB-CD2 4.29Å; A127-Y400 HydrophobicContact CB-CE2 3.82Å; E128-Y400 WeakPolarHBondContact CA-OH 2.94Å; F131-Y400 HydrophobicContact CB-CD1 3.78Å; F131-Y400 HydrophobicContact CB-CD2 4.43Å; F131-Y400 HydrophobicContact CB-CE1 3.95Å; F131-Y400 HydrophobicContact CB-CG 4.05Å; F131-Y400 HydrophobicContact CD2-CD1 4.07Å; F131-Y400 AromaticContact CD2-CD2 3.27Å; F131-Y400 HydrophobicContact CD2-CD2 3.27Å; F131-Y400 AromaticContact CD2-CE2 3.78Å; F131-Y400 HydrophobicContact CD2-CE2 3.78Å; F131-Y400 AromaticContact CD2-CG 3.44Å; F131-Y400 HydrophobicContact CD2-CG 3.44Å; F131-Y400 VanDerWaalsContact CD2-CG 3.44Å; F131-Y400 AromaticContact CE2-CD2 3.74Å; F131-Y400 HydrophobicContact CE2-CD2 3.74Å; F131-Y400 AromaticContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 HydrophobicContact CG-CD2 4.1Å; F131-Y400 AromaticContact CG-CG 3.82Å; F131-Y400 HydrophobicContact CG-CG 3.82Å; E132-Y400 HydrophobicContact CG-CE1 3.9Å; E132-Y400 WeakPolarHBondContact OE1-CE1 3.28Å; E132-Y400 PolarHBondContact OE1-OH 3.35Å; T396-Y400 PolarHBondContact O-N 2.74Å; K397-Y400 WeakPolarHBondContact O-CB 3.44Å; K397-Y400 PolarHBondContact O-N 3.39Å; Y400-G404 CarbonylContact O-C 3.49Å; Y400-G404 WeakPolarHBondContact O-CA 3.4Å; Y400-G404 PolarHBondContact O-N 3.2Å; Y400-P405 VanDerWaalsContact CE2-CA 3.5Å; Y400-P405 HydrophobicContact CE2-CB 3.64Å
401Y97.3Very high96Very high131 Ų13161.5 Ų61.551%0.51431%0.31SS..Hα-helixtrans-72.4-26.9178-75.7-71.4000113.8K397 A398K397-Y401 HydrophobicContact CD-CE2 4.21Å; K397-Y401 HydrophobicContact CG-CD2 3.86Å; K397-Y401 HydrophobicContact CG-CE2 3.62Å; K397-Y401 VanDerWaalsContact O-CD2 3.23Å; K397-Y401 WeakPolarHBondContact O-CD2 3.39Å; K397-Y401 PolarHBondContact O-N 3.11Å; K397-Y401 VanDerWaalsContact O-N 3.09Å; A398-Y401 PolarHBondContact O-N 3.28Å
402E97.3Very high95.8Very high153 Ų15361.6 Ų61.672%0.71532%0.32SS*.Hα-helixtrans-79.1-41.9178.6-173.4-178.2-176.500112.7A398 E399A398-E402 WeakPolarHBondContact O-CB 3.08Å; A398-E402 PolarHBondContact O-N 2.8Å; E399-E402 PolarHBondContact O-N 3.36Å
403K96.5Very high95.5Very high112 Ų11255.5 Ų55.549%0.48729%0.294SS..Hα-helixtrans-109.2-13.4-171.1-60.5171.1-173.7163.70113.5E399 I407E399-K403 WeakPolarHBondContact O-CB 3.19Å; E399-K403 PolarHBondContact O-N 3.34Å; E399-K403 IonicContact OE1-NZ 3.95Å; E399-K403 PolarHBondContact OE1-NZ 3.44Å; K403-I407 HydrophobicContact CB-CG2 3.61Å; K403-I407 HydrophobicContact CD-CG2 3.88Å; K403-I407 HydrophobicContact CG-CG2 4.4Å
404G96.1Very high95.1Very high21 Ų2156 Ų5622%0.21629%0.293CS..  trans84.2176.8-175.800000114.2Y400 S406Y400-G404 CarbonylContact O-C 3.49Å; Y400-G404 WeakPolarHBondContact O-CA 3.4Å; Y400-G404 PolarHBondContact O-N 3.2Å; G404-S406 PolarHBondContact O-N 3.43Å; G404-S406 VanDerWaalsContact O-N 3.07Å
405P96.3Very high93.9Very high48 Ų4857.4 Ų57.431%0.31231%0.308SS..G310 helixtrans-63.4-19.1-174.425.4-36000114E124 Y400 I407 C408E124-P405 HydrophobicContact CB-CB 4.08Å; E124-P405 HydrophobicContact CG-CB 4.03Å; Y400-P405 VanDerWaalsContact CE2-CA 3.5Å; Y400-P405 HydrophobicContact CE2-CB 3.64Å; P405-I407 PolarHBondContact O-N 3.08Å; P405-C408 WeakPolarHBondContact O-CB 3.12Å; P405-C408 PolarHBondContact O-N 3.4Å
406S96.8Very high92.2Very high65 Ų6558.6 Ų58.646%0.45532%0.318SS..G310 helixtrans-55.7-25.2-178.369.80000114.4E124 G404 C408 R409E124-S406 WeakPolarHBondContact OE1-CA 3.3Å; G404-S406 PolarHBondContact O-N 3.43Å; G404-S406 VanDerWaalsContact O-N 3.07Å; S406-C408 PolarHBondContact O-N 3.43Å; S406-R409 VanDerWaalsContact O-CB 3.31Å; S406-R409 WeakPolarHBondContact O-CB 3.27Å; S406-R409 WeakPolarHBondContact O-CG 3.41Å; S406-R409 PolarHBondContact O-N 3.31Å
407I96.5Very high89.9Confident29 Ų2964.4 Ų64.415%0.14935%0.346CS..G310 helixtrans-62.2-32.5175.868.4178.8000112H395 E399 K403 P405 R409 H410H395-I407 HydrophobicContact CB-CD1 3.89Å; H395-I407 HydrophobicContact CB-CG1 4.31Å; H395-I407 PolarHBondContact CE1-O 2.86Å; H395-I407 PolarHBondContact NE2-O 2.84Å; E399-I407 HydrophobicContact CB-CD1 3.82Å; K403-I407 HydrophobicContact CB-CG2 3.61Å; K403-I407 HydrophobicContact CD-CG2 3.88Å; K403-I407 HydrophobicContact CG-CG2 4.4Å; P405-I407 PolarHBondContact O-N 3.08Å; I407-R409 PolarHBondContact O-N 3.02Å; I407-H410 VanDerWaalsContact O-O 3.12Å
408C96.2Very high86.9Confident0 Ų067.5 Ų67.50%037%0.37CS..G310 helixtrans-77.3-9.5-178.1-66.10000112.9R123 A127 P405 S406 H410 N411R123-C408 WeakPolarHBondContact CD-O 3.31Å; A127-C408 HydrophobicContact CB-CB 3.72Å; A127-C408 WeakPolarHBondContact CB-SG 3.13Å; P405-C408 WeakPolarHBondContact O-CB 3.12Å; P405-C408 PolarHBondContact O-N 3.4Å; S406-C408 PolarHBondContact O-N 3.43Å; C408-H410 PolarHBondContact O-N 3.44Å; C408-N411 PolarHBondContact O-ND2 3.5Å; C408-N411 VanDerWaalsContact O-ND2 3.15Å
409R96.1Very high83.8Confident103 Ų10368.4 Ų68.439%0.38939%0.386SS..G310 helixtrans-61.9-24.5174.4-67-174.9175.9-132.1-12.1112.6P120 E121 R123 E124 S406 I407P120-R409 HydrophobicContact CB-CB 4.23Å; P120-R409 HydrophobicContact CB-CG 3.9Å; E121-R409 IonicContact OE1-NH1 3.59Å; E121-R409 IonicContact OE1-NH2 2.69Å; R123-R409 PolarHBondContact NH1-O 3.47Å; E124-R409 VanDerWaalsContact CD-NE 3.27Å; E124-R409 VanDerWaalsContact CD-NH2 3.26Å; E124-R409 HydrophobicContact CG-CG 4.06Å; E124-R409 IonicContact OE1-CZ 2.86Å; E124-R409 IonicContact OE1-NE 2.91Å; E124-R409 PolarHBondContact OE1-NE 3.26Å; E124-R409 IonicContact OE1-NH2 2.85Å; E124-R409 PolarHBondContact OE1-NH2 3.37Å; E124-R409 VanDerWaalsContact OE1-NH2 3.16Å; E124-R409 IonicContact OE2-CZ 3.62Å; E124-R409 IonicContact OE2-NE 3.54Å; E124-R409 IonicContact OE2-NH2 3.67Å; E124-R409 PolarHBondContact OE2-NH2 3.38Å; S406-R409 VanDerWaalsContact O-CB 3.31Å; S406-R409 WeakPolarHBondContact O-CB 3.27Å; S406-R409 WeakPolarHBondContact O-CG 3.41Å; S406-R409 PolarHBondContact O-N 3.31Å; I407-R409 PolarHBondContact O-N 3.02Å
410H93.3Very high80.6Confident116 Ų11669.8 Ų69.854%0.53740%0.402SS..  trans-131.6128.1178-177.969.4000111.4H395 I407 C408H395-H410 PolarHBondContact CE1-O 3.28Å; H395-H410 PolarHBondContact NE2-O 3.11Å; I407-H410 VanDerWaalsContact O-O 3.12Å; C408-H410 PolarHBondContact O-N 3.44Å
411N92.6Very high77.2Confident18 Ų1881.2 Ų81.210%0.09645%0.446CS..  trans-118.6119.2176.8-65.9-90.2000108.3Y140 I141 H395 C408 V413Y140-N411 HydrophobicContact CD2-CB 4.21Å; Y140-N411 HydrophobicContact CE2-CB 3.8Å; I141-N411 PolarHBondContact N-OD1 3.31Å; I141-N411 VanDerWaalsContact N-OD1 3.15Å; I141-N411 VanDerWaalsContact O-CB 3.22Å; I141-N411 WeakPolarHBondContact O-CB 3.48Å; I141-N411 VanDerWaalsContact O-CG 3.24Å; I141-N411 PolarHBondContact O-ND2 2.85Å; H395-N411 PolarHBondContact CD2-OD1 3.41Å; H395-N411 PolarHBondContact NE2-OD1 3.49Å; C408-N411 PolarHBondContact O-ND2 3.5Å; C408-N411 VanDerWaalsContact O-ND2 3.15Å; N411-V413 PolarHBondContact O-N 3.12Å
412A89.7Confident74.2Confident45 Ų4583.9 Ų83.937%0.37246%0.456SS..  trans-66.5134.4-174.800000110.8Y140Y140-A412 VanDerWaalsContact CE2-O 3.28Å; Y140-A412 WeakPolarHBondContact CE2-O 3.41Å; Y140-A412 PolarHBondContact OH-O 3.12Å
413V86.4Confident73.1Confident44 Ų4480.4 Ų80.427%0.26744%0.443SS..  trans-77.4137.5175.9-175.90000109.7V146 L163 G183 N411V146-V413 HydrophobicContact CG1-CG1 4.11Å; L163-V413 HydrophobicContact CD1-CG1 3.63Å; G183-V413 WeakPolarHBondContact O-CG2 3.46Å; N411-V413 PolarHBondContact O-N 3.12Å
414F85.5Confident71.9Confident28 Ų2878.7 Ų78.712%0.12344%0.441CS..  trans-138.4169.8178.765.8-86.4000111.3Y140 L384 F390 A393Y140-F414 HydrophobicContact CD1-CE1 4.41Å; Y140-F414 HydrophobicContact CD2-CE1 4.3Å; Y140-F414 AromaticContact CE1-CE1 3.87Å; Y140-F414 HydrophobicContact CE1-CE1 3.87Å; Y140-F414 HydrophobicContact CE2-CD1 4.11Å; Y140-F414 AromaticContact CE2-CE1 3.75Å; Y140-F414 HydrophobicContact CE2-CE1 3.75Å; Y140-F414 AromaticContact CZ-CD1 3.97Å; Y140-F414 AromaticContact CZ-CE1 3.51Å; L384-F414 HydrophobicContact CB-CE2 3.81Å; L384-F414 HydrophobicContact CB-CZ 3.88Å; L384-F414 HydrophobicContact CD2-CD2 4.4Å; L384-F414 HydrophobicContact CD2-CE2 4.05Å; L384-F414 HydrophobicContact CG-CE2 4.36Å; F390-F414 HydrophobicContact CB-CE2 3.94Å; F390-F414 HydrophobicContact CB-CZ 3.72Å; F390-F414 HydrophobicContact CD2-CZ 4.08Å; F390-F414 HydrophobicContact CG-CZ 4.42Å; A393-F414 HydrophobicContact CB-CD1 3.57Å; A393-F414 HydrophobicContact CB-CE1 3.93Å; A393-F414 HydrophobicContact CB-CG 4.3Å
415G70.8Confident70.5Confident34 Ų3481.9 Ų81.935%0.35145%0.453SS..SBendtrans109.8-14.4174.600000115.7
416T62.6Low69Low56 Ų5683.9 Ų83.934%0.34446%0.461SS..SBendtrans-113.6-6.9179.8440000116.2W153 L163W153-T416 HydrophobicContact CH2-CG2 3.82Å; W153-T416 HydrophobicContact CZ2-CG2 3.43Å; W153-T416 VanDerWaalsContact CZ2-CG2 3.43Å; L163-T416 HydrophobicContact CB-CG2 4.33Å; L163-T416 HydrophobicContact CD1-CG2 3.7Å; L163-T416 HydrophobicContact CG-CG2 3.54Å
417L48.4Very low67.3Low158 Ų15885.1 Ų85.183%0.82746%0.462SS*.SBendtrans-127.913.7-166.1-81.4164.9000117.5
418T35.8Very low65.3Low118 Ų11888.9 Ų88.972%0.72448%0.483SS*.SBendtrans-138.4126.8167.155.60000111.1S420T418-S420 PolarHBondContact O-N 3.16Å
419G31.1Very low63.1Low90 Ų9095.2 Ų95.293%0.92852%0.517SS*.  trans-68.952.1-176.900000114.6R421G419-R421 PolarHBondContact O-N 2.84Å
420S29.2Very low60.6Low88 Ų8894.6 Ų94.662%0.61553%0.527SS*.  trans-78.1112.7168.6-53.60000107.4T418 Y422T418-S420 PolarHBondContact O-N 3.16Å; S420-Y422 PolarHBondContact O-N 2.76Å
421R26.7Very low57.8Low249 Ų24992.8 Ų92.894%0.9453%0.526SS*.  trans-50.3121.4171.4-67.3179.5179.5-172.3-0.9108.4G419G419-R421 PolarHBondContact O-N 2.84Å
422Y35.5Very low54.7Low186 Ų18699.6 Ų99.673%0.72957%0.565SS**  trans-63.90158.7-72.4-85.5000109.4L158 T387 S420L158-Y422 HydrophobicContact CD2-CD2 4.3Å; T387-Y422 HydrophobicContact CG2-CE1 4.49Å; S420-Y422 PolarHBondContact O-N 2.76Å

Retrieved 422 of 422 residues in 320.4 ms (Link to these results)

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