X5DQX7_HUMAN Loading...

Fragile X messenger ribonucleoprotein 1

AlphaFold DB , UniProt , Accession X5DQX7, Species HUMAN (Homo sapiens, Human), Gene FMR1, Length 632 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M48.2Very low87.2Confident162 Ų16267.4 Ų67.480%0.79835%0.353SS*.  0121.30-178.5-176.5-70.100105.1E3 E144M1-E3 PolarHBondContact O-N 3.26Å; M1-E144 VanDerWaalsContact CE-CD 3.4Å; M1-E144 VanDerWaalsContact CE-OE1 3.27Å; M1-E144 WeakPolarHBondContact CE-OE1 3.27Å; M1-E144 WeakPolarHBondContact CE-OE2 3.4Å; M1-E144 VanDerWaalsContact SD-OE1 3.4Å
2E66.2Low87.1Confident177 Ų17765.9 Ų65.983%0.82735%0.346SS*.  trans-79.8102.4179.2-74.5162.1-153.200107.9
3E86.7Confident87.2Confident76 Ų7663.2 Ų63.236%0.35534%0.344SS..  trans-81.7146.9169.9-61.2-167.2132.100109.5M1 V5 F19 K21M1-E3 PolarHBondContact O-N 3.26Å; E3-V5 PolarHBondContact O-N 3.14Å; E3-F19 HydrophobicContact CB-CB 4.25Å; E3-F19 HydrophobicContact CB-CD1 3.71Å; E3-F19 HydrophobicContact CB-CE1 4.49Å; E3-F19 HydrophobicContact CB-CG 4.32Å; E3-K21 IonicContact OE1-NZ 3.22Å; E3-K21 PolarHBondContact OE1-NZ 3.23Å
4L95.2Very high87.6Confident26 Ų2658.8 Ų58.814%0.13632%0.32CS..  trans-78.5111.1179.6179.762.8000110.2F19 V20 F49 F126 F157 I173L4-F19 WeakPolarHBondContact O-CA 3.22Å; L4-V20 HydrophobicContact CB-CB 4.37Å; L4-V20 HydrophobicContact CB-CG2 4.32Å; L4-V20 HydrophobicContact CD2-CB 4.48Å; L4-V20 HydrophobicContact CD2-CG2 4.02Å; L4-V20 HydrophobicContact CG-CG2 4.14Å; L4-V20 PolarHBondContact O-N 3.28Å; L4-F49 HydrophobicContact CD1-CE1 4.36Å; L4-F49 HydrophobicContact CD2-CE1 4.37Å; L4-F126 HydrophobicContact CD2-CE1 3.92Å; L4-F157 HydrophobicContact CB-CB 4.16Å; L4-F157 HydrophobicContact CB-CD1 4.36Å; L4-F157 HydrophobicContact CB-CD2 3.6Å; L4-F157 HydrophobicContact CB-CE2 3.99Å; L4-F157 HydrophobicContact CB-CG 3.8Å; L4-F157 HydrophobicContact CD2-CD1 3.55Å; L4-F157 HydrophobicContact CD2-CD2 4.13Å; L4-F157 HydrophobicContact CD2-CE1 3.48Å; L4-F157 VanDerWaalsContact CD2-CE1 3.48Å; L4-F157 HydrophobicContact CD2-CE2 4.08Å; L4-F157 HydrophobicContact CD2-CG 3.87Å; L4-F157 HydrophobicContact CD2-CZ 3.75Å; L4-F157 HydrophobicContact CG-CG 4.41Å; L4-I173 HydrophobicContact CD2-CG2 3.63Å
5V96.9Very high88.2Confident48 Ų4856.3 Ų56.329%0.29131%0.305SS..EExtended strand (participates in β ladder)trans-77.5132.1177.2-175.10000110.8E3 K17 F19 P50E3-V5 PolarHBondContact O-N 3.14Å; V5-K17 HydrophobicContact CG1-CD 4.47Å; V5-K17 HydrophobicContact CG1-CG 3.95Å; V5-F19 HydrophobicContact CG2-CD1 3.98Å; V5-F19 HydrophobicContact CG2-CE1 3.74Å; V5-P50 HydrophobicContact CG1-CG 4.31Å; V5-P50 WeakPolarHBondContact O-CD 3.23Å
6V97.3Very high88.6Confident0 Ų053.6 Ų53.60%029%0.289CS..EExtended strand (participates in β ladder)trans-132.1160.7171.8-69.20000110.4V8 A18 V20 I28 V30 V47 F49 F126V6-V8 HydrophobicContact CG2-CG1 4.1Å; V6-A18 HydrophobicContact CG2-CB 4.38Å; V6-A18 PolarHBondContact N-O 3.26Å; V6-A18 PolarHBondContact O-N 3.44Å; V6-A18 VanDerWaalsContact O-O 3.12Å; V6-V20 HydrophobicContact CB-CG2 4.41Å; V6-V20 HydrophobicContact CG1-CG2 3.63Å; V6-V20 HydrophobicContact CG2-CG2 3.85Å; V6-I28 HydrophobicContact CG2-CD1 4.5Å; V6-V30 HydrophobicContact CG2-CG1 4.01Å; V6-V47 HydrophobicContact CB-CG1 3.94Å; V6-V47 HydrophobicContact CG1-CG1 4.08Å; V6-V47 HydrophobicContact CG2-CG1 4.28Å; V6-F49 HydrophobicContact CG1-CD1 4.27Å; V6-F49 HydrophobicContact CG1-CE1 4.31Å; V6-F126 HydrophobicContact CG1-CZ 4.24Å
7E97.6Very high89Confident7 Ų755.3 Ų55.33%0.03329%0.293CS..EExtended strand (participates in β ladder)trans-104.8127.6167.6-67.4-175.9173.200109F15 Y16 V47 R48 P50 P51 R113 N116E7-F15 HydrophobicContact CB-CB 4.3Å; E7-F15 HydrophobicContact CB-CD1 4.09Å; E7-Y16 CarbonylContact C-O 3.54Å; E7-Y16 WeakPolarHBondContact CA-O 3.43Å; E7-V47 WeakPolarHBondContact O-CA 3.31Å; E7-R48 HydrophobicContact CB-CG 3.89Å; E7-R48 PolarHBondContact N-O 3.26Å; E7-R48 PolarHBondContact O-N 3.45Å; E7-R48 IonicContact OE2-CZ 3.21Å; E7-R48 VanDerWaalsContact OE2-CZ 3.24Å; E7-R48 IonicContact OE2-NE 2.84Å; E7-R48 PolarHBondContact OE2-NE 2.98Å; E7-R48 IonicContact OE2-NH2 2.74Å; E7-R48 PolarHBondContact OE2-NH2 3.31Å; E7-P50 HydrophobicContact CG-CB 4.32Å; E7-P51 WeakPolarHBondContact OE1-CD 3.49Å; E7-R113 IonicContact OE1-CZ 2.7Å; E7-R113 IonicContact OE1-NH1 3.21Å; E7-R113 PolarHBondContact OE1-NH1 3.15Å; E7-R113 IonicContact OE1-NH2 2.88Å; E7-R113 PolarHBondContact OE1-NH2 2.94Å; E7-R113 IonicContact OE2-NH2 3.99Å; E7-R113 PolarHBondContact OE2-NH2 2.89Å; E7-N116 PolarHBondContact OE2-ND2 2.8Å
8V97.1Very high89.4Confident3 Ų352.2 Ų52.22%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-118.2135.7-179.2-59.80000111.3V6 F15 Y16 A18 V30 F32 I42 D46 V47V6-V8 HydrophobicContact CG2-CG1 4.1Å; V8-F15 WeakPolarHBondContact O-CA 3.34Å; V8-Y16 PolarHBondContact N-O 3.37Å; V8-Y16 PolarHBondContact O-N 2.85Å; V8-A18 HydrophobicContact CG1-CB 4.23Å; V8-A18 HydrophobicContact CG2-CB 3.93Å; V8-V30 HydrophobicContact CG1-CG1 4.19Å; V8-V30 HydrophobicContact CG1-CG2 4.19Å; V8-V30 HydrophobicContact CG2-CG2 4.5Å; V8-F32 HydrophobicContact CG2-CE1 3.63Å; V8-F32 HydrophobicContact CG2-CZ 4.11Å; V8-I42 HydrophobicContact CB-CG2 4.4Å; V8-I42 HydrophobicContact CG1-CG2 4.44Å; V8-D46 CarbonylContact C-O 3.53Å; V8-D46 WeakPolarHBondContact CA-O 3.46Å; V8-V47 HydrophobicContact CG1-CG1 4.43Å; V8-V47 HydrophobicContact CG1-CG2 4.15Å
9R95.4Very high89.8Confident98 Ų9851.1 Ų51.137%0.3727%0.269SS..EExtended strand (participates in β ladder)trans-73.6124.9179-172.5-176.7-74.6133.6-8110.1A14 F15 H45 D46R9-A14 WeakPolarHBondContact CA-O 3.46Å; R9-F15 HydrophobicContact CB-CD1 4.28Å; R9-F15 HydrophobicContact CB-CE1 3.84Å; R9-F15 HydrophobicContact CB-CZ 4.11Å; R9-F15 HydrophobicContact CG-CZ 4.45Å; R9-H45 PolarHBondContact NH1-O 2.92Å; R9-D46 HydrophobicContact CB-CB 3.98Å; R9-D46 WeakPolarHBondContact CD-OD1 3.49Å; R9-D46 IonicContact CZ-OD1 2.64Å; R9-D46 PolarHBondContact N-O 3.13Å; R9-D46 IonicContact NE-OD1 2.81Å; R9-D46 IonicContact NH1-OD1 2.71Å; R9-D46 PolarHBondContact NH1-OD1 2.77Å
10G90.6Very high90.2Very high16 Ų1649 Ų4917%0.16526%0.259CS..  trans-80.9168.4170.300000112.4N12 G13 A14G10-N12 PolarHBondContact O-N 2.99Å; G10-N12 VanDerWaalsContact O-N 3.14Å; G10-G13 PolarHBondContact O-N 2.82Å; G10-A14 PolarHBondContact N-O 3.28Å
11S87.8Confident90.4Very high128 Ų12850.8 Ų50.890%0.89527%0.265SS*.THydrogen-bonded Turntrans-64.2-15.9176.749.30000114.1
12N86.8Confident92.7Very high50 Ų5045.1 Ų45.127%0.26724%0.237SC..THydrogen-bonded Turntrans-88.41.9172.357.43.4000113.5G10 A14 Y16 W80G10-N12 PolarHBondContact O-N 2.99Å; G10-N12 VanDerWaalsContact O-N 3.14Å; N12-A14 VanDerWaalsContact C-N 3.26Å; N12-A14 PolarHBondContact O-N 2.91Å; N12-A14 PolarHBondContact OD1-N 3.25Å; N12-Y16 PolarHBondContact ND2-OH 3.17Å; N12-W80 HydrophobicContact CB-CH2 3.9Å; N12-W80 HydrophobicContact CB-CZ3 4.25Å; N12-W80 VanDerWaalsContact ND2-CH2 3.35Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.41Å
13G88.3Confident94.2Very high31 Ų3136.9 Ų36.932%0.3220%0.199SC..SBendtrans82.4-10.5-178.400000115.3G10G10-G13 PolarHBondContact O-N 2.82Å
14A92.8Very high94.6Very high1 Ų136.2 Ų36.21%0.00820%0.196CC..  trans-75.5153.7177.700000112.1R9 G10 N12 Y16 C78 W79 W80R9-A14 WeakPolarHBondContact CA-O 3.46Å; G10-A14 PolarHBondContact N-O 3.28Å; N12-A14 VanDerWaalsContact C-N 3.26Å; N12-A14 PolarHBondContact O-N 2.91Å; N12-A14 PolarHBondContact OD1-N 3.25Å; A14-Y16 HydrophobicContact CB-CE2 4.16Å; A14-C78 HydrophobicContact CB-CB 4.44Å; A14-W79 WeakPolarHBondContact CA-O 3.46Å; A14-W80 HydrophobicContact CB-CD2 3.64Å; A14-W80 HydrophobicContact CB-CE3 3.86Å; A14-W80 HydrophobicContact CB-CG 4.15Å; A14-W80 HydrophobicContact CB-CH2 4.06Å; A14-W80 HydrophobicContact CB-CZ2 3.82Å; A14-W80 HydrophobicContact CB-CZ3 4.07Å
15F95.8Very high94.5Very high21 Ų2141.7 Ų41.79%0.09222%0.221CC..EExtended strand (participates in β ladder)trans-100.4115.8179.4-78.9-86000112E7 V8 R9 R48 C78 W79E7-F15 HydrophobicContact CB-CB 4.3Å; E7-F15 HydrophobicContact CB-CD1 4.09Å; V8-F15 WeakPolarHBondContact O-CA 3.34Å; R9-F15 HydrophobicContact CB-CD1 4.28Å; R9-F15 HydrophobicContact CB-CE1 3.84Å; R9-F15 HydrophobicContact CB-CZ 4.11Å; R9-F15 HydrophobicContact CG-CZ 4.45Å; F15-R48 HydrophobicContact CD1-CG 4.21Å; F15-R48 HydrophobicContact CE1-CG 3.99Å; F15-C78 WeakPolarHBondContact O-CB 3.34Å; F15-W79 HydrophobicContact CB-CB 4.35Å; F15-W79 PolarHBondContact N-O 3.28Å; F15-W79 PolarHBondContact O-N 3.1Å
16Y95.4Very high94.4Very high13 Ų1344.5 Ų44.55%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-96143.9178.1-65.7-101.3000110.5E7 V8 N12 A14 W36 E75 P76 C78E7-Y16 CarbonylContact C-O 3.54Å; E7-Y16 WeakPolarHBondContact CA-O 3.43Å; V8-Y16 PolarHBondContact N-O 3.37Å; V8-Y16 PolarHBondContact O-N 2.85Å; N12-Y16 PolarHBondContact ND2-OH 3.17Å; A14-Y16 HydrophobicContact CB-CE2 4.16Å; Y16-W36 HydrophobicContact CD1-CH2 4.02Å; Y16-W36 AromaticContact CD1-CZ2 3.47Å; Y16-W36 HydrophobicContact CD1-CZ2 3.47Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.47Å; Y16-W36 AromaticContact CE1-CH2 3.6Å; Y16-W36 HydrophobicContact CE1-CH2 3.6Å; Y16-W36 AromaticContact CE1-CZ2 3.57Å; Y16-W36 HydrophobicContact CE1-CZ2 3.57Å; Y16-W36 HydrophobicContact CG-CZ2 4.31Å; Y16-E75 PolarHBondContact OH-OE2 3.09Å; Y16-P76 HydrophobicContact CD1-CG 4.31Å; Y16-C78 HydrophobicContact CD1-CB 3.62Å; Y16-C78 HydrophobicContact CD2-CB 4.13Å; Y16-C78 HydrophobicContact CE1-CB 3.74Å; Y16-C78 HydrophobicContact CE2-CB 4.19Å; Y16-C78 HydrophobicContact CG-CB 3.84Å; Y16-C78 VanDerWaalsContact CZ-SG 3.59Å
17K95.8Very high94.4Very high83 Ų8344.8 Ų44.836%0.36124%0.236SC..EExtended strand (participates in β ladder)trans-74.5130.8172.2179.3-179.7159.2-153.40110V5 E33V5-K17 HydrophobicContact CG1-CD 4.47Å; V5-K17 HydrophobicContact CG1-CG 3.95Å; K17-E33 WeakPolarHBondContact CD-OE2 3.27Å; K17-E33 WeakPolarHBondContact CE-OE2 3.5Å; K17-E33 IonicContact NZ-OE1 3.63Å; K17-E33 PolarHBondContact NZ-OE1 3.37Å; K17-E33 IonicContact NZ-OE2 3.62Å; K17-E33 PolarHBondContact NZ-OE2 3.37Å
18A96.5Very high94.4Very high0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-145168.9178.500000111.4V6 V8 V30 A31 F32V6-A18 HydrophobicContact CG2-CB 4.38Å; V6-A18 PolarHBondContact N-O 3.26Å; V6-A18 PolarHBondContact O-N 3.44Å; V6-A18 VanDerWaalsContact O-O 3.12Å; V8-A18 HydrophobicContact CG1-CB 4.23Å; V8-A18 HydrophobicContact CG2-CB 3.93Å; A18-V30 HydrophobicContact CB-CB 3.85Å; A18-V30 HydrophobicContact CB-CG1 4.46Å; A18-V30 HydrophobicContact CB-CG2 3.87Å; A18-A31 CarbonylContact C-O 3.54Å; A18-A31 WeakPolarHBondContact CA-O 3.48Å; A18-A31 WeakPolarHBondContact CB-O 3.27Å; A18-F32 HydrophobicContact CB-CD1 4.08Å; A18-F32 HydrophobicContact CB-CE1 4.24Å
19F97.1Very high94.4Very high30 Ų3045.7 Ų45.713%0.13224%0.242CC..EExtended strand (participates in β ladder)trans-122.4129.8-176.7-56.3-86.5000110.2E3 L4 V5 K21 V30 A31 E33E3-F19 HydrophobicContact CB-CB 4.25Å; E3-F19 HydrophobicContact CB-CD1 3.71Å; E3-F19 HydrophobicContact CB-CE1 4.49Å; E3-F19 HydrophobicContact CB-CG 4.32Å; L4-F19 WeakPolarHBondContact O-CA 3.22Å; V5-F19 HydrophobicContact CG2-CD1 3.98Å; V5-F19 HydrophobicContact CG2-CE1 3.74Å; F19-K21 PolarHBondContact O-N 2.97Å; F19-V30 CarbonylContact O-C 3.55Å; F19-V30 VanDerWaalsContact O-CA 3.26Å; F19-V30 WeakPolarHBondContact O-CA 3.24Å; F19-A31 PolarHBondContact N-O 3.32Å; F19-A31 PolarHBondContact O-N 2.97Å; F19-E33 HydrophobicContact CE2-CB 4.01Å; F19-E33 HydrophobicContact CE2-CG 4.4Å
20V96.8Very high94.5Very high9 Ų941 Ų416%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-70.8119.6-178.9-172.10000110.4L4 V6 V23 I28 F126 F157L4-V20 HydrophobicContact CB-CB 4.37Å; L4-V20 HydrophobicContact CB-CG2 4.32Å; L4-V20 HydrophobicContact CD2-CB 4.48Å; L4-V20 HydrophobicContact CD2-CG2 4.02Å; L4-V20 HydrophobicContact CG-CG2 4.14Å; L4-V20 PolarHBondContact O-N 3.28Å; V6-V20 HydrophobicContact CB-CG2 4.41Å; V6-V20 HydrophobicContact CG1-CG2 3.63Å; V6-V20 HydrophobicContact CG2-CG2 3.85Å; V20-V23 HydrophobicContact CG1-CG2 4.31Å; V20-I28 HydrophobicContact CG1-CB 4.49Å; V20-I28 HydrophobicContact CG1-CD1 4.36Å; V20-I28 HydrophobicContact CG2-CD1 3.99Å; V20-F126 HydrophobicContact CG2-CE1 4.12Å; V20-F157 HydrophobicContact CB-CE2 4.04Å; V20-F157 HydrophobicContact CB-CZ 4.22Å; V20-F157 HydrophobicContact CG1-CE2 4.05Å; V20-F157 HydrophobicContact CG1-CZ 3.89Å
21K95.3Very high94.8Very high88 Ų8840.4 Ų40.438%0.38322%0.218SC..EExtended strand (participates in β ladder)trans-101-40.7176.4-67.3-62.7-175.1-178.60112.6E3 F19 T29 A31 L171E3-K21 IonicContact OE1-NZ 3.22Å; E3-K21 PolarHBondContact OE1-NZ 3.23Å; F19-K21 PolarHBondContact O-N 2.97Å; K21-T29 HydrophobicContact CB-CG2 4.44Å; K21-T29 PolarHBondContact N-O 3.3Å; K21-A31 HydrophobicContact CD-CB 4.18Å; K21-A31 HydrophobicContact CG-CB 3.67Å; K21-L171 WeakPolarHBondContact O-CD1 3.28Å
22D95.9Very high95.1Very high42 Ų4234.7 Ų34.723%0.22518%0.177CC..EExtended strand (participates in β ladder)trans-148.6163.1178.1-16117.5000112.7H24 I28 T29 K128D22-H24 IonicContact OD2-CE1 3.23Å; D22-H24 PolarHBondContact OD2-CE1 3.14Å; D22-H24 VanDerWaalsContact OD2-CE1 3.28Å; D22-H24 IonicContact OD2-ND1 2.82Å; D22-I28 CarbonylContact O-C 3.17Å; D22-I28 WeakPolarHBondContact O-CA 3.38Å; D22-I28 WeakPolarHBondContact O-CB 3.41Å; D22-T29 PolarHBondContact N-O 3.31Å; D22-T29 PolarHBondContact O-N 3.45Å; D22-K128 VanDerWaalsContact OD1-CE 3.23Å; D22-K128 WeakPolarHBondContact OD1-CE 3.37Å; D22-K128 IonicContact OD1-NZ 3.15Å; D22-K128 PolarHBondContact OD1-NZ 2.81Å; D22-K128 IonicContact OD2-NZ 3.36Å; D22-K128 PolarHBondContact OD2-NZ 3.49Å
23V96.6Very high95.2Very high5 Ų535.7 Ų35.73%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-125.2135.3-178.5177.40000109.7V20 I28 F126 K128 L171V20-V23 HydrophobicContact CG1-CG2 4.31Å; V23-I28 HydrophobicContact CB-CG2 4.48Å; V23-I28 HydrophobicContact CG1-CG2 4.44Å; V23-I28 HydrophobicContact CG2-CG2 4.13Å; V23-F126 HydrophobicContact CB-CB 4.45Å; V23-F126 HydrophobicContact CG1-CB 3.65Å; V23-F126 HydrophobicContact CG2-CB 3.87Å; V23-F126 HydrophobicContact CG2-CD1 4.46Å; V23-F126 HydrophobicContact CG2-CG 4.39Å; V23-K128 HydrophobicContact CB-CB 4.21Å; V23-K128 HydrophobicContact CB-CD 4.39Å; V23-K128 HydrophobicContact CG1-CB 4.4Å; V23-K128 WeakPolarHBondContact O-CD 3.06Å; V23-K128 PolarHBondContact O-NZ 3.18Å; V23-L171 HydrophobicContact CB-CD2 4.23Å; V23-L171 HydrophobicContact CG2-CD2 4.1Å
24H95.8Very high95.2Very high61 Ų6141.6 Ų41.628%0.28221%0.205SC..  trans-120.8-171178.4-51.4-63.4000110.3D22 S27 T29D22-H24 IonicContact OD2-CE1 3.23Å; D22-H24 PolarHBondContact OD2-CE1 3.14Å; D22-H24 VanDerWaalsContact OD2-CE1 3.28Å; D22-H24 IonicContact OD2-ND1 2.82Å; H24-S27 CarbonylContact C-O 3.55Å; H24-S27 WeakPolarHBondContact CA-O 3.41Å; H24-S27 WeakPolarHBondContact CB-O 3.43Å; H24-S27 PolarHBondContact N-O 3.17Å; H24-T29 PolarHBondContact NE2-OG1 3.12Å
25E92.9Very high95Very high142 Ų14247.6 Ų47.666%0.66424%0.237SC*.SBendtrans-76-30.6-175.1-175.7166-170.500114.1K123E25-K123 VanDerWaalsContact O-CE 3.28Å; E25-K123 WeakPolarHBondContact O-CE 3.16Å; E25-K123 IonicContact OE1-NZ 3.79Å; E25-K123 PolarHBondContact OE1-NZ 3.21Å
26D94.9Very high94.8Very high107 Ų10749.9 Ų49.957%0.57224%0.244SC*.SBendtrans-126.3-2.9-173.864.3-9.2000113.7F44D26-F44 VanDerWaalsContact C-CD2 3.4Å; D26-F44 VanDerWaalsContact CA-CE2 3.42Å; D26-F44 VanDerWaalsContact O-CD2 3.23Å; D26-F44 WeakPolarHBondContact O-CD2 3.38Å; D26-F44 PolarHBondContact O-N 2.62Å
27S97.1Very high94.5Very high5 Ų551.7 Ų51.74%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-161.3171.2-163.7530000112.1H24 Q41 I42H24-S27 CarbonylContact C-O 3.55Å; H24-S27 WeakPolarHBondContact CA-O 3.41Å; H24-S27 WeakPolarHBondContact CB-O 3.43Å; H24-S27 PolarHBondContact N-O 3.17Å; S27-Q41 WeakPolarHBondContact OG-CG 3.36Å; S27-Q41 PolarHBondContact OG-NE2 3.14Å; S27-I42 CarbonylContact C-O 3.51Å; S27-I42 VanDerWaalsContact CA-O 3.27Å; S27-I42 WeakPolarHBondContact CA-O 3.4Å; S27-I42 VanDerWaalsContact CB-O 3.23Å; S27-I42 WeakPolarHBondContact CB-O 3.39Å
28I97.8Very high94.5Very high0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-127.8151.1171.559.2169.3000110.7V6 V20 D22 V23 V30 Q41 I42 F44 V47 F126V6-I28 HydrophobicContact CG2-CD1 4.5Å; V20-I28 HydrophobicContact CG1-CB 4.49Å; V20-I28 HydrophobicContact CG1-CD1 4.36Å; V20-I28 HydrophobicContact CG2-CD1 3.99Å; D22-I28 CarbonylContact O-C 3.17Å; D22-I28 WeakPolarHBondContact O-CA 3.38Å; D22-I28 WeakPolarHBondContact O-CB 3.41Å; V23-I28 HydrophobicContact CB-CG2 4.48Å; V23-I28 HydrophobicContact CG1-CG2 4.44Å; V23-I28 HydrophobicContact CG2-CG2 4.13Å; I28-V30 HydrophobicContact CD1-CG1 3.52Å; I28-V30 HydrophobicContact CG1-CG1 3.88Å; I28-Q41 CarbonylContact O-C 3.6Å; I28-Q41 VanDerWaalsContact O-CA 3.31Å; I28-Q41 WeakPolarHBondContact O-CA 3.26Å; I28-I42 PolarHBondContact N-O 2.95Å; I28-I42 PolarHBondContact O-N 3.23Å; I28-F44 HydrophobicContact CG2-CD1 4.24Å; I28-F44 HydrophobicContact CG2-CE1 3.75Å; I28-V47 HydrophobicContact CD1-CB 4.4Å; I28-V47 HydrophobicContact CD1-CG1 3.76Å; I28-V47 HydrophobicContact CD1-CG2 3.84Å; I28-V47 HydrophobicContact CG1-CG2 3.94Å; I28-F126 HydrophobicContact CD1-CE2 4.21Å; I28-F126 HydrophobicContact CD1-CZ 4.11Å; I28-F126 HydrophobicContact CG2-CB 4.48Å; I28-F126 HydrophobicContact CG2-CD2 3.76Å; I28-F126 HydrophobicContact CG2-CE2 4.05Å; I28-F126 HydrophobicContact CG2-CG 4.03Å
29T97.8Very high94.5Very high29 Ų2956.5 Ų56.518%0.17829%0.289CS..EExtended strand (participates in β ladder)trans-88.5127.3164.4-60.10000109.1K21 D22 H24 D39 R40K21-T29 HydrophobicContact CB-CG2 4.44Å; K21-T29 PolarHBondContact N-O 3.3Å; D22-T29 PolarHBondContact N-O 3.31Å; D22-T29 PolarHBondContact O-N 3.45Å; H24-T29 PolarHBondContact NE2-OG1 3.12Å; T29-D39 HydrophobicContact CG2-CB 4.03Å; T29-R40 WeakPolarHBondContact CA-O 3.45Å
30V97.1Very high94.4Very high0 Ų060.1 Ų60.10%030%0.301CS..EExtended strand (participates in β ladder)trans-118.8144.8174.1-57.40000111.6V6 V8 A18 F19 I28 F32 D39 R40 I42V6-V30 HydrophobicContact CG2-CG1 4.01Å; V8-V30 HydrophobicContact CG1-CG1 4.19Å; V8-V30 HydrophobicContact CG1-CG2 4.19Å; V8-V30 HydrophobicContact CG2-CG2 4.5Å; A18-V30 HydrophobicContact CB-CB 3.85Å; A18-V30 HydrophobicContact CB-CG1 4.46Å; A18-V30 HydrophobicContact CB-CG2 3.87Å; F19-V30 CarbonylContact O-C 3.55Å; F19-V30 VanDerWaalsContact O-CA 3.26Å; F19-V30 WeakPolarHBondContact O-CA 3.24Å; I28-V30 HydrophobicContact CD1-CG1 3.52Å; I28-V30 HydrophobicContact CG1-CG1 3.88Å; V30-F32 HydrophobicContact CG2-CE2 4.42Å; V30-F32 HydrophobicContact CG2-CZ 4.27Å; V30-D39 VanDerWaalsContact O-CA 3.25Å; V30-D39 WeakPolarHBondContact O-CA 3.36Å; V30-R40 PolarHBondContact N-O 2.81Å; V30-R40 PolarHBondContact O-N 3.09Å; V30-I42 HydrophobicContact CG2-CG1 3.86Å
31A96.6Very high94.5Very high4 Ų465.2 Ų65.23%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-99.6146.1165.600000110A18 F19 K21 D39A18-A31 CarbonylContact C-O 3.54Å; A18-A31 WeakPolarHBondContact CA-O 3.48Å; A18-A31 WeakPolarHBondContact CB-O 3.27Å; F19-A31 PolarHBondContact N-O 3.32Å; F19-A31 PolarHBondContact O-N 2.97Å; K21-A31 HydrophobicContact CD-CB 4.18Å; K21-A31 HydrophobicContact CG-CB 3.67Å; A31-D39 WeakPolarHBondContact CA-OD1 3.26Å; A31-D39 VanDerWaalsContact CB-OD1 3.23Å; A31-D39 WeakPolarHBondContact CB-OD1 3.43Å
32F94.1Very high94.6Very high8 Ų861.4 Ų61.44%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-96.4153.4178.8-65-85.9000112.6V8 A18 V30 N34 N35 W36 Q37 R40V8-F32 HydrophobicContact CG2-CE1 3.63Å; V8-F32 HydrophobicContact CG2-CZ 4.11Å; A18-F32 HydrophobicContact CB-CD1 4.08Å; A18-F32 HydrophobicContact CB-CE1 4.24Å; V30-F32 HydrophobicContact CG2-CE2 4.42Å; V30-F32 HydrophobicContact CG2-CZ 4.27Å; F32-N34 PolarHBondContact O-N 3.13Å; F32-N35 PolarHBondContact O-N 3.37Å; F32-W36 HydrophobicContact CD1-CZ2 4.44Å; F32-W36 AromaticContact CD1-NE1 3.76Å; F32-W36 AromaticContact CG-NE1 3.74Å; F32-Q37 HydrophobicContact CD2-CB 3.73Å; F32-Q37 HydrophobicContact CE2-CB 4.11Å; F32-Q37 HydrophobicContact CG-CB 4.3Å; F32-R40 HydrophobicContact CE2-CB 4.18Å; F32-R40 HydrophobicContact CE2-CG 4.19Å
33E89.8Confident94.6Very high71 Ų7161.5 Ų61.533%0.33231%0.311SS..G310 helixtrans-58.2130.8179.7-171.1153.2-131.500112K17 F19 N35 W36K17-E33 WeakPolarHBondContact CD-OE2 3.27Å; K17-E33 WeakPolarHBondContact CE-OE2 3.5Å; K17-E33 IonicContact NZ-OE1 3.63Å; K17-E33 PolarHBondContact NZ-OE1 3.37Å; K17-E33 IonicContact NZ-OE2 3.62Å; K17-E33 PolarHBondContact NZ-OE2 3.37Å; F19-E33 HydrophobicContact CE2-CB 4.01Å; F19-E33 HydrophobicContact CE2-CG 4.4Å; E33-N35 PolarHBondContact O-N 2.99Å; E33-N35 VanDerWaalsContact O-N 3.15Å; E33-W36 VanDerWaalsContact O-CD1 3.31Å
34N87.5Confident94.7Very high155 Ų15562 Ų6283%0.82931%0.313SS*.G310 helixtrans58.616.1-173.8-50.3-40.1000115.5F32 W36F32-N34 PolarHBondContact O-N 3.13Å; N34-W36 PolarHBondContact O-N 3.04Å
35N89.4Confident94.7Very high127 Ų12764.8 Ų64.868%0.67933%0.326SS*.G310 helixtrans53.733.1-179.6-56.2-12.4000114F32 E33 Q37F32-N35 PolarHBondContact O-N 3.37Å; E33-N35 PolarHBondContact O-N 2.99Å; E33-N35 VanDerWaalsContact O-N 3.15Å; N35-Q37 CarbonylContact C-O 3.59Å; N35-Q37 PolarHBondContact O-N 3.13Å
36W90.1Very high94.9Very high68 Ų6859.9 Ų59.926%0.25830%0.304SS..SBendtrans-62.9-24179.177.9-81.4000113.4Y16 F32 E33 N34 E75 P76Y16-W36 HydrophobicContact CD1-CH2 4.02Å; Y16-W36 AromaticContact CD1-CZ2 3.47Å; Y16-W36 HydrophobicContact CD1-CZ2 3.47Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.47Å; Y16-W36 AromaticContact CE1-CH2 3.6Å; Y16-W36 HydrophobicContact CE1-CH2 3.6Å; Y16-W36 AromaticContact CE1-CZ2 3.57Å; Y16-W36 HydrophobicContact CE1-CZ2 3.57Å; Y16-W36 HydrophobicContact CG-CZ2 4.31Å; F32-W36 HydrophobicContact CD1-CZ2 4.44Å; F32-W36 AromaticContact CD1-NE1 3.76Å; F32-W36 AromaticContact CG-NE1 3.74Å; E33-W36 VanDerWaalsContact O-CD1 3.31Å; N34-W36 PolarHBondContact O-N 3.04Å; W36-E75 HydrophobicContact CE3-CG 4.47Å; W36-E75 HydrophobicContact CH2-CB 4.49Å; W36-E75 HydrophobicContact CH2-CG 4.25Å; W36-E75 HydrophobicContact CZ3-CB 4.11Å; W36-E75 HydrophobicContact CZ3-CG 3.68Å; W36-P76 HydrophobicContact CD2-CG 3.77Å; W36-P76 HydrophobicContact CE3-CG 4.42Å; W36-P76 HydrophobicContact CG-CG 4Å; W36-P76 HydrophobicContact CZ2-CG 3.95Å
37Q90.2Very high95.1Very high52 Ų5254.9 Ų54.924%0.24328%0.277CS..SBendtrans-124.7153.1162.9-82.2-171.519.900109.1F32 N35F32-Q37 HydrophobicContact CD2-CB 3.73Å; F32-Q37 HydrophobicContact CE2-CB 4.11Å; F32-Q37 HydrophobicContact CG-CB 4.3Å; N35-Q37 CarbonylContact C-O 3.59Å; N35-Q37 PolarHBondContact O-N 3.13Å
38P94.8Very high95.1Very high100 Ų10055.6 Ų55.665%0.64928%0.279SS*.  trans-63.2161.9169.830.3-36.7000111.1R40P38-R40 PolarHBondContact O-N 3.41Å
39D96.3Very high95.1Very high84 Ų8458.5 Ų58.545%0.44929%0.292SS..  trans-56.7137.5174.7-70.517.1000111T29 V30 A31T29-D39 HydrophobicContact CG2-CB 4.03Å; V30-D39 VanDerWaalsContact O-CA 3.25Å; V30-D39 WeakPolarHBondContact O-CA 3.36Å; A31-D39 WeakPolarHBondContact CA-OD1 3.26Å; A31-D39 VanDerWaalsContact CB-OD1 3.23Å; A31-D39 WeakPolarHBondContact CB-OD1 3.43Å
40R96.4Very high95Very high106 Ų10659.2 Ų59.240%0.430%0.297SS..EExtended strand (participates in β ladder)trans-131143.2-176.9-73178.264.2-175.3-2.2111.8T29 V30 F32 P38 I42T29-R40 WeakPolarHBondContact CA-O 3.45Å; V30-R40 PolarHBondContact N-O 2.81Å; V30-R40 PolarHBondContact O-N 3.09Å; F32-R40 HydrophobicContact CE2-CB 4.18Å; F32-R40 HydrophobicContact CE2-CG 4.19Å; P38-R40 PolarHBondContact O-N 3.41Å; R40-I42 HydrophobicContact CB-CD1 3.99Å; R40-I42 HydrophobicContact CB-CG1 4.46Å
41Q97.2Very high94.9Very high115 Ų11560.7 Ų60.754%0.53731%0.307SS..EExtended strand (participates in β ladder)trans-83.1122.3168.8-169.1170.3300108.9S27 I28S27-Q41 WeakPolarHBondContact OG-CG 3.36Å; S27-Q41 PolarHBondContact OG-NE2 3.14Å; I28-Q41 CarbonylContact O-C 3.6Å; I28-Q41 VanDerWaalsContact O-CA 3.31Å; I28-Q41 WeakPolarHBondContact O-CA 3.26Å
42I97.3Very high94.8Very high9 Ų963.5 Ų63.55%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-123.9130.4-174.7-53.5-63.7000108.7V8 S27 I28 V30 R40 D46 V47V8-I42 HydrophobicContact CB-CG2 4.4Å; V8-I42 HydrophobicContact CG1-CG2 4.44Å; S27-I42 CarbonylContact C-O 3.51Å; S27-I42 VanDerWaalsContact CA-O 3.27Å; S27-I42 WeakPolarHBondContact CA-O 3.4Å; S27-I42 VanDerWaalsContact CB-O 3.23Å; S27-I42 WeakPolarHBondContact CB-O 3.39Å; I28-I42 PolarHBondContact N-O 2.95Å; I28-I42 PolarHBondContact O-N 3.23Å; V30-I42 HydrophobicContact CG2-CG1 3.86Å; R40-I42 HydrophobicContact CB-CD1 3.99Å; R40-I42 HydrophobicContact CB-CG1 4.46Å; I42-D46 HydrophobicContact CG2-CB 3.78Å; I42-V47 HydrophobicContact CB-CG2 4.11Å; I42-V47 HydrophobicContact CG2-CG2 3.63Å
43P97.6Very high94.6Very high44 Ų4470.6 Ų70.629%0.28637%0.369SS..EExtended strand (participates in β ladder)trans-70.4149.6178.731.3-36.2000111.2H45 D46P43-H45 PolarHBondContact O-N 2.73Å; P43-D46 HydrophobicContact CG-CB 4.29Å; P43-D46 PolarHBondContact O-N 3.39Å
44F97.4Very high94.5Very high16 Ų1670.5 Ų70.57%0.0739%0.387CS..G310 helixtrans-55.5-32.6-171.6-58.9-58.5000114.8D26 I28 D46 V47 A121 K123 F126D26-F44 VanDerWaalsContact C-CD2 3.4Å; D26-F44 VanDerWaalsContact CA-CE2 3.42Å; D26-F44 VanDerWaalsContact O-CD2 3.23Å; D26-F44 WeakPolarHBondContact O-CD2 3.38Å; D26-F44 PolarHBondContact O-N 2.62Å; I28-F44 HydrophobicContact CG2-CD1 4.24Å; I28-F44 HydrophobicContact CG2-CE1 3.75Å; F44-D46 PolarHBondContact O-N 3.13Å; F44-V47 PolarHBondContact O-N 2.92Å; F44-V47 VanDerWaalsContact O-N 3.09Å; F44-V47 VanDerWaalsContact O-O 3.12Å; F44-A121 CarbonylContact C-O 3.59Å; F44-A121 HydrophobicContact CB-CB 4.15Å; F44-A121 WeakPolarHBondContact CB-O 3.48Å; F44-A121 PolarHBondContact O-N 3.41Å; F44-K123 HydrophobicContact CD2-CB 4.42Å; F44-K123 HydrophobicContact CE2-CB 4.06Å; F44-K123 HydrophobicContact CE2-CG 4.27Å; F44-F126 AromaticContact CD1-CD2 3.91Å; F44-F126 HydrophobicContact CD1-CD2 3.91Å; F44-F126 HydrophobicContact CD1-CE2 4.31Å; F44-F126 AromaticContact CE1-CD2 3.79Å; F44-F126 HydrophobicContact CE1-CD2 3.79Å
45H96.4Very high94.6Very high119 Ų11966.4 Ų66.455%0.55136%0.36SS*.G310 helixtrans-70.9-12.5-179.559.7-105000114.8R9 P43 P120R9-H45 PolarHBondContact NH1-O 2.92Å; P43-H45 PolarHBondContact O-N 2.73Å; H45-P120 WeakPolarHBondContact O-CB 3.21Å
46D97.3Very high94.4Very high39 Ų3966.8 Ų66.821%0.20936%0.362CS..G310 helixtrans-1023.7172.9-76.9-26.2000112.7V8 R9 I42 P43 F44V8-D46 CarbonylContact C-O 3.53Å; V8-D46 WeakPolarHBondContact CA-O 3.46Å; R9-D46 HydrophobicContact CB-CB 3.98Å; R9-D46 WeakPolarHBondContact CD-OD1 3.49Å; R9-D46 IonicContact CZ-OD1 2.64Å; R9-D46 PolarHBondContact N-O 3.13Å; R9-D46 IonicContact NE-OD1 2.81Å; R9-D46 IonicContact NH1-OD1 2.71Å; R9-D46 PolarHBondContact NH1-OD1 2.77Å; I42-D46 HydrophobicContact CG2-CB 3.78Å; P43-D46 HydrophobicContact CG-CB 4.29Å; P43-D46 PolarHBondContact O-N 3.39Å; F44-D46 PolarHBondContact O-N 3.13Å
47V97.9Very high94.3Very high1 Ų169.7 Ų69.71%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-111.9137177.6-175.10000109.6V6 E7 V8 I28 I42 F44 P120 A121 F126V6-V47 HydrophobicContact CB-CG1 3.94Å; V6-V47 HydrophobicContact CG1-CG1 4.08Å; V6-V47 HydrophobicContact CG2-CG1 4.28Å; E7-V47 WeakPolarHBondContact O-CA 3.31Å; V8-V47 HydrophobicContact CG1-CG1 4.43Å; V8-V47 HydrophobicContact CG1-CG2 4.15Å; I28-V47 HydrophobicContact CD1-CB 4.4Å; I28-V47 HydrophobicContact CD1-CG1 3.76Å; I28-V47 HydrophobicContact CD1-CG2 3.84Å; I28-V47 HydrophobicContact CG1-CG2 3.94Å; I42-V47 HydrophobicContact CB-CG2 4.11Å; I42-V47 HydrophobicContact CG2-CG2 3.63Å; F44-V47 PolarHBondContact O-N 2.92Å; F44-V47 VanDerWaalsContact O-N 3.09Å; F44-V47 VanDerWaalsContact O-O 3.12Å; V47-P120 CarbonylContact O-C 3.59Å; V47-P120 VanDerWaalsContact O-CA 3.22Å; V47-P120 WeakPolarHBondContact O-CA 3.35Å; V47-A121 HydrophobicContact CB-CB 4.3Å; V47-A121 PolarHBondContact O-N 3.48Å; V47-F126 HydrophobicContact CG1-CE2 4.41Å; V47-F126 HydrophobicContact CG1-CZ 4.34Å
48R97.7Very high94.3Very high21 Ų2174.2 Ų74.28%0.07940%0.402CS..EExtended strand (participates in β ladder)trans-140.1160.2167.967.6-175-174.1-179.12.9110.9E7 F15 E66 N116E7-R48 HydrophobicContact CB-CG 3.89Å; E7-R48 PolarHBondContact N-O 3.26Å; E7-R48 PolarHBondContact O-N 3.45Å; E7-R48 IonicContact OE2-CZ 3.21Å; E7-R48 VanDerWaalsContact OE2-CZ 3.24Å; E7-R48 IonicContact OE2-NE 2.84Å; E7-R48 PolarHBondContact OE2-NE 2.98Å; E7-R48 IonicContact OE2-NH2 2.74Å; E7-R48 PolarHBondContact OE2-NH2 3.31Å; F15-R48 HydrophobicContact CD1-CG 4.21Å; F15-R48 HydrophobicContact CE1-CG 3.99Å; R48-E66 IonicContact CZ-OE1 3.89Å; R48-E66 VanDerWaalsContact CZ-OE1 3.23Å; R48-E66 IonicContact NH1-OE1 3.63Å; R48-E66 PolarHBondContact NH1-OE1 2.94Å; R48-E66 VanDerWaalsContact NH2-CD 3.32Å; R48-E66 IonicContact NH2-OE1 2.67Å; R48-E66 PolarHBondContact NH2-OE1 2.58Å; R48-E66 IonicContact NH2-OE2 3.6Å; R48-E66 PolarHBondContact NH2-OE2 2.82Å; R48-N116 PolarHBondContact NE-ND2 2.91Å
49F97.4Very high94.3Very high60 Ų6070.4 Ų70.426%0.26338%0.376SS..PPolyproline II helixtrans-74.5146.9170.1-66.9-67.6000110.9L4 V6 N116 N118 T125 F126 I173L4-F49 HydrophobicContact CD1-CE1 4.36Å; L4-F49 HydrophobicContact CD2-CE1 4.37Å; V6-F49 HydrophobicContact CG1-CD1 4.27Å; V6-F49 HydrophobicContact CG1-CE1 4.31Å; F49-N116 PolarHBondContact O-ND2 3.47Å; F49-N118 PolarHBondContact O-ND2 3.13Å; F49-T125 HydrophobicContact CE2-CG2 3.57Å; F49-T125 HydrophobicContact CZ-CG2 3.7Å; F49-F126 HydrophobicContact CE1-CE1 4.41Å; F49-F126 HydrophobicContact CE1-CZ 4.42Å; F49-F126 HydrophobicContact CZ-CE1 4.32Å; F49-F126 HydrophobicContact CZ-CZ 4.25Å; F49-I173 HydrophobicContact CE1-CG2 4.22Å; F49-I173 HydrophobicContact CZ-CB 4.49Å; F49-I173 HydrophobicContact CZ-CD1 4.48Å; F49-I173 HydrophobicContact CZ-CG2 3.89Å
50P96.4Very high94.3Very high45 Ų4570.8 Ų70.829%0.29238%0.378SS..PPolyproline II helixtrans-58.9156.9172.227.8-36.4000111.2V5 E7 N118V5-P50 HydrophobicContact CG1-CG 4.31Å; V5-P50 WeakPolarHBondContact O-CD 3.23Å; E7-P50 HydrophobicContact CG-CB 4.32Å; P50-N118 PolarHBondContact O-ND2 2.97Å
51P95.7Very high94.1Very high31 Ų3170.7 Ų70.720%0.20138%0.382CS..PPolyproline II helixtrans-52.2145.5-177.3-24.731.7000112.7E7 V53 N116E7-P51 WeakPolarHBondContact OE1-CD 3.49Å; P51-V53 PolarHBondContact O-N 3.12Å; P51-N116 WeakPolarHBondContact CD-ND2 3.39Å; P51-N116 HydrophobicContact CG-CB 3.88Å
52P94.5Very high93.9Very high62 Ų6269 Ų6940%0.40338%0.383SS..PPolyproline II helixtrans-55.8138.9177.4-2433.8000112G54 Y55 P117P52-G54 PolarHBondContact O-N 2.77Å; P52-Y55 WeakPolarHBondContact O-CB 3.36Å; P52-Y55 PolarHBondContact O-N 3.05Å; P52-P117 HydrophobicContact CG-CG 4.26Å
53V90.1Very high93.8Very high158 Ų15871.3 Ų71.396%0.95840%0.396SS*.THydrogen-bonded Turntrans-60.1124.5-179.2-177.70000110P51P51-V53 PolarHBondContact O-N 3.12Å
54G86.6Confident93.7Very high69 Ų6975.6 Ų75.671%0.71141%0.412SS*.THydrogen-bonded Turntrans851.6-176.100000115.1P52 N56P52-G54 PolarHBondContact O-N 2.77Å; G54-N56 PolarHBondContact O-N 3.32Å; G54-N56 VanDerWaalsContact O-N 3.08Å
55Y89.9Confident93.6Very high68 Ų6874.9 Ų74.927%0.26741%0.409SS..  trans-74.495.1169.6-179.2-97.6000110.3P52 K57 P117P52-Y55 WeakPolarHBondContact O-CB 3.36Å; P52-Y55 PolarHBondContact O-N 3.05Å; Y55-K57 HydrophobicContact CE2-CD 4.5Å; Y55-K57 VanDerWaalsContact OH-CE 3.23Å; Y55-K57 WeakPolarHBondContact OH-CE 3.45Å; Y55-K57 PolarHBondContact OH-NZ 2.74Å; Y55-P117 HydrophobicContact CD1-CG 4.04Å; Y55-P117 HydrophobicContact CD2-CG 4.32Å; Y55-P117 HydrophobicContact CE1-CB 4.4Å; Y55-P117 HydrophobicContact CE1-CG 3.79Å; Y55-P117 HydrophobicContact CE2-CB 4.47Å; Y55-P117 HydrophobicContact CE2-CG 4.08Å; Y55-P117 HydrophobicContact CG-CG 4.29Å
56N84.8Confident93.6Very high136 Ų13669.4 Ų69.473%0.72738%0.383SS*.  trans-125.4134.8167.5-64.5-49.6000108.1G54G54-N56 PolarHBondContact O-N 3.32Å; G54-N56 VanDerWaalsContact O-N 3.08Å
57K88.9Confident93.5Very high129 Ų12967.5 Ų67.556%0.56137%0.374SS*.  trans-115.3146.7165.2-66.8174.8170.6169.10108.4Y55 I59 S114Y55-K57 HydrophobicContact CE2-CD 4.5Å; Y55-K57 VanDerWaalsContact OH-CE 3.23Å; Y55-K57 WeakPolarHBondContact OH-CE 3.45Å; Y55-K57 PolarHBondContact OH-NZ 2.74Å; K57-I59 PolarHBondContact O-N 2.65Å; K57-S114 WeakPolarHBondContact CB-OG 3.21Å; K57-S114 PolarHBondContact N-OG 2.78Å; K57-S114 PolarHBondContact O-OG 3.11Å
58D90.6Very high93.5Very high146 Ų14671.9 Ų71.978%0.78139%0.39SS*.  trans-57.1135.7170.8-56.1-48.7000109.6N60D58-N60 PolarHBondContact O-ND2 3.09Å
59I94.6Very high93.2Very high21 Ų2171.5 Ų71.511%0.10839%0.391CS..  trans-103.5118.8-176.1-66179000108.4K57 V65 V84 I87 Y92 I109 L112K57-I59 PolarHBondContact O-N 2.65Å; I59-V65 HydrophobicContact CB-CG1 4.49Å; I59-V65 HydrophobicContact CD1-CG1 3.88Å; I59-V65 HydrophobicContact CG1-CG1 4.1Å; I59-V65 HydrophobicContact CG2-CG1 3.62Å; I59-V84 HydrophobicContact CG2-CG2 3.68Å; I59-I87 WeakPolarHBondContact O-CD1 3.4Å; I59-Y92 HydrophobicContact CB-CE1 4.31Å; I59-Y92 HydrophobicContact CG2-CD1 4.14Å; I59-Y92 HydrophobicContact CG2-CE1 3.91Å; I59-I109 HydrophobicContact CB-CD1 4.49Å; I59-I109 HydrophobicContact CD1-CD1 3.91Å; I59-L112 HydrophobicContact CD1-CB 3.9Å
60N94.4Very high92.8Very high91 Ų9174.8 Ų74.849%0.48740%0.402SS..  trans-112.3172.2-177.7-50-86.1000111.3D58 D63 V84D58-N60 PolarHBondContact O-ND2 3.09Å; N60-D63 WeakPolarHBondContact CA-OD2 3.03Å; N60-D63 VanDerWaalsContact CB-OD2 3.3Å; N60-D63 WeakPolarHBondContact CB-OD2 3.47Å; N60-D63 PolarHBondContact N-OD2 2.84Å; N60-D63 PolarHBondContact ND2-OD2 3.15Å; N60-D63 WeakPolarHBondContact O-CB 3.43Å; N60-D63 PolarHBondContact O-N 3.13Å; N60-V84 WeakPolarHBondContact O-CB 3.44Å
61E94.3Very high92.2Very high104 Ų10475.8 Ų75.849%0.48641%0.414SS..THydrogen-bonded Turntrans-62.8142.3170.9-65.2-172.5155.400110.9D63 M86 I87E61-D63 PolarHBondContact O-N 3.24Å; E61-M86 VanDerWaalsContact OE1-CA 3.31Å; E61-M86 WeakPolarHBondContact OE1-CA 3.48Å; E61-I87 HydrophobicContact CG-CB 4.11Å; E61-I87 HydrophobicContact CG-CD1 4.05Å; E61-I87 HydrophobicContact CG-CG1 3.81Å; E61-I87 PolarHBondContact OE1-N 2.9Å
62S92.9Very high91.5Very high79 Ų7977.7 Ų77.755%0.55242%0.423SS*.THydrogen-bonded Turntrans68.4-0.3-172-56.30000117.1K83 V84S62-K83 WeakPolarHBondContact O-CE 3.27Å; S62-V84 WeakPolarHBondContact CA-O 3.16Å; S62-V84 PolarHBondContact N-O 3.45Å
63D95.1Very high91.1Very high59 Ų5982.6 Ų82.632%0.31644%0.44SS..  trans-71.1146.9174.1-74.7-23.9000112.1N60 E61 V84N60-D63 WeakPolarHBondContact CA-OD2 3.03Å; N60-D63 VanDerWaalsContact CB-OD2 3.3Å; N60-D63 WeakPolarHBondContact CB-OD2 3.47Å; N60-D63 PolarHBondContact N-OD2 2.84Å; N60-D63 PolarHBondContact ND2-OD2 3.15Å; N60-D63 WeakPolarHBondContact O-CB 3.43Å; N60-D63 PolarHBondContact O-N 3.13Å; E61-D63 PolarHBondContact O-N 3.24Å; D63-V84 PolarHBondContact O-N 3Å
64E95.2Very high90.7Very high133 Ų13384.6 Ų84.662%0.62144%0.436SS*.EExtended strand (participates in β ladder)trans-81.2134.7166.6-68.5-178.9-177.300110V115E64-V115 HydrophobicContact CB-CG2 4.08Å; E64-V115 WeakPolarHBondContact O-CG2 3.32Å
65V95.4Very high90.8Very high1 Ų183.4 Ų83.41%0.00641%0.412CS..EExtended strand (participates in β ladder)trans-139.6163.1-173.8-66.10000110.4I59 A82 V84 L112I59-V65 HydrophobicContact CB-CG1 4.49Å; I59-V65 HydrophobicContact CD1-CG1 3.88Å; I59-V65 HydrophobicContact CG1-CG1 4.1Å; I59-V65 HydrophobicContact CG2-CG1 3.62Å; V65-A82 HydrophobicContact CG2-CB 4.26Å; V65-A82 PolarHBondContact N-O 2.8Å; V65-A82 PolarHBondContact O-N 2.84Å; V65-V84 HydrophobicContact CB-CG2 4.47Å; V65-V84 HydrophobicContact CG1-CG2 3.77Å; V65-V84 HydrophobicContact CG2-CG2 3.81Å; V65-L112 HydrophobicContact CG2-CD2 4.04Å
66E96Very high90.8Very high4 Ų482.5 Ų82.52%0.01941%0.414CS..EExtended strand (participates in β ladder)trans-107.4125.7166.1-70.9175.4163.300109.4R48 W79 W80 L81 R113 V115 N116R48-E66 IonicContact CZ-OE1 3.89Å; R48-E66 VanDerWaalsContact CZ-OE1 3.23Å; R48-E66 IonicContact NH1-OE1 3.63Å; R48-E66 PolarHBondContact NH1-OE1 2.94Å; R48-E66 VanDerWaalsContact NH2-CD 3.32Å; R48-E66 IonicContact NH2-OE1 2.67Å; R48-E66 PolarHBondContact NH2-OE1 2.58Å; R48-E66 IonicContact NH2-OE2 3.6Å; R48-E66 PolarHBondContact NH2-OE2 2.82Å; E66-W79 HydrophobicContact CB-CB 4.43Å; E66-W79 HydrophobicContact CB-CE3 4.01Å; E66-W79 WeakPolarHBondContact O-CZ3 3.42Å; E66-W80 CarbonylContact C-O 3.6Å; E66-W80 VanDerWaalsContact CA-O 3.23Å; E66-W80 WeakPolarHBondContact CA-O 3.33Å; E66-L81 HydrophobicContact CG-CD1 4.38Å; E66-R113 HydrophobicContact CB-CG 3.86Å; E66-R113 PolarHBondContact N-O 2.99Å; E66-R113 PolarHBondContact O-N 3.08Å; E66-R113 IonicContact OE2-CZ 3.85Å; E66-R113 IonicContact OE2-NE 2.78Å; E66-R113 PolarHBondContact OE2-NE 3.25Å; E66-R113 IonicContact OE2-NH2 3.88Å; E66-R113 PolarHBondContact OE2-NH2 3.38Å; E66-V115 HydrophobicContact CG-CG2 4.36Å; E66-N116 PolarHBondContact OE2-N 2.96Å
67V95.7Very high91.2Very high0 Ų078.1 Ų78.10%039%0.394CS..EExtended strand (participates in β ladder)trans-101.1136.7177.262.10000111.2S69 W79 W80 A82 I94 Y96 V107 R111 L112V67-S69 PolarHBondContact O-N 3.47Å; V67-W79 WeakPolarHBondContact O-CA 3.28Å; V67-W80 HydrophobicContact CG1-CB 3.84Å; V67-W80 PolarHBondContact N-O 2.79Å; V67-W80 PolarHBondContact O-N 2.92Å; V67-A82 HydrophobicContact CG1-CB 4.05Å; V67-I94 HydrophobicContact CB-CD1 3.68Å; V67-I94 HydrophobicContact CG1-CD1 3.72Å; V67-I94 HydrophobicContact CG2-CD1 3.59Å; V67-Y96 HydrophobicContact CG1-CD1 4.19Å; V67-Y96 HydrophobicContact CG1-CE1 3.45Å; V67-Y96 VanDerWaalsContact CG1-CE1 3.45Å; V67-V107 HydrophobicContact CG2-CG1 4.29Å; V67-R111 CarbonylContact C-O 3.45Å; V67-R111 WeakPolarHBondContact CA-O 3.3Å; V67-R111 HydrophobicContact CG2-CB 4.5Å; V67-L112 HydrophobicContact CB-CD2 3.76Å; V67-L112 HydrophobicContact CG2-CD2 3.95Å
68Y96.1Very high91.5Very high92 Ų9272 Ų7236%0.36137%0.367SS..EExtended strand (participates in β ladder)trans-83.3110.1172.7-160.3-126.1000110C77 C78 W79 R111Y68-C77 HydrophobicContact CD1-CB 3.78Å; Y68-C77 HydrophobicContact CD2-CB 4.05Å; Y68-C77 HydrophobicContact CE1-CB 3.39Å; Y68-C77 VanDerWaalsContact CE2-C 3.49Å; Y68-C77 HydrophobicContact CE2-CB 3.68Å; Y68-C77 VanDerWaalsContact CE2-O 3.26Å; Y68-C77 WeakPolarHBondContact CE2-O 3.42Å; Y68-C77 HydrophobicContact CG-CB 4.09Å; Y68-C77 PolarHBondContact OH-O 3.05Å; Y68-C78 WeakPolarHBondContact CA-O 3.48Å; Y68-W79 AromaticContact CD2-CD2 3.89Å; Y68-W79 HydrophobicContact CD2-CD2 3.89Å; Y68-W79 AromaticContact CD2-CE2 3.57Å; Y68-W79 HydrophobicContact CD2-CE3 4.33Å; Y68-W79 HydrophobicContact CD2-CG 4.37Å; Y68-W79 HydrophobicContact CD2-CH2 4.25Å; Y68-W79 AromaticContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ3 4.49Å; Y68-W79 AromaticContact CD2-NE1 3.84Å; Y68-W79 HydrophobicContact CE2-CZ2 4.45Å; Y68-W79 HydrophobicContact CG-CH2 4.2Å; Y68-W79 HydrophobicContact CG-CZ2 4.12Å; Y68-W79 HydrophobicContact CG-CZ3 4.45Å; Y68-R111 PolarHBondContact N-O 3.49Å; Y68-R111 PolarHBondContact O-NE 3.32Å; Y68-R111 PolarHBondContact O-NH2 3.34Å; Y68-R111 VanDerWaalsContact O-NH2 3.13Å
69S92.3Very high91.7Very high14 Ų1467.3 Ų67.310%0.09834%0.339CS..EExtended strand (participates in β ladder)trans-154.6162.7-175-158.50000112V67 C77 C78 W80 Y96 R111V67-S69 PolarHBondContact O-N 3.47Å; S69-C77 CarbonylContact O-C 3.54Å; S69-C77 WeakPolarHBondContact O-CA 3.36Å; S69-C78 PolarHBondContact N-O 3.19Å; S69-C78 PolarHBondContact O-N 2.84Å; S69-C78 VanDerWaalsContact O-O 3.09Å; S69-C78 PolarHBondContact O-SG 3.19Å; S69-W80 PolarHBondContact O-NE1 2.93Å; S69-Y96 WeakPolarHBondContact CB-OH 3.5Å; S69-Y96 PolarHBondContact OG-OH 3.24Å; S69-R111 PolarHBondContact OG-NH2 2.92Å
70R89.6Confident91.8Very high128 Ų12867.2 Ų67.248%0.48334%0.337SS..  trans-122.2139.4174.458.6-178.6175171.30.3109.3N72R70-N72 VanDerWaalsContact C-N 3.27Å; R70-N72 PolarHBondContact O-N 2.96Å
71A83.4Confident91.7Very high67 Ų6766.1 Ų66.155%0.55433%0.331SS*.SBendtrans-74-20.6178.100000113.1W80A71-W80 HydrophobicContact CB-CH2 4.12Å; A71-W80 HydrophobicContact CB-CZ2 3.87Å
72N81.9Confident91.7Very high71 Ų7161.3 Ų61.338%0.3831%0.308SS..SBendtrans-165.4146.1-164.540.2-7000109.3R70 K74 E75R70-N72 VanDerWaalsContact C-N 3.27Å; R70-N72 PolarHBondContact O-N 2.96Å; N72-K74 PolarHBondContact O-N 3.42Å; N72-K74 VanDerWaalsContact O-N 3.11Å; N72-E75 PolarHBondContact ND2-OE1 3.16Å; N72-E75 PolarHBondContact O-N 2.82Å; N72-E75 WeakPolarHBondContact OD1-CB 3.48Å; N72-E75 WeakPolarHBondContact OD1-CG 3.37Å; N72-E75 PolarHBondContact OD1-OE1 3.07Å; N72-E75 VanDerWaalsContact OD1-OE1 3.13Å
73E84.8Confident91.8Very high164 Ų16462 Ų6277%0.76630%0.301SS*.THydrogen-bonded Turntrans-64-22.3-169.8-62.1-173.2146.900114.9E75E73-E75 VanDerWaalsContact C-N 3.33Å
74K82.8Confident91.8Very high201 Ų20159.2 Ų59.287%0.87429%0.287SS*.THydrogen-bonded Turntrans-79.3-14.6178.4-62.4-177.1-179.3179.60113.3N72N72-K74 PolarHBondContact O-N 3.42Å; N72-K74 VanDerWaalsContact O-N 3.11Å
75E87.1Confident91.7Very high44 Ų4458.8 Ų58.821%0.20628%0.28CS..SBendtrans-100.5145.7179.6-61.3-166.6-15800110.9Y16 W36 N72 E73Y16-E75 PolarHBondContact OH-OE2 3.09Å; W36-E75 HydrophobicContact CE3-CG 4.47Å; W36-E75 HydrophobicContact CH2-CB 4.49Å; W36-E75 HydrophobicContact CH2-CG 4.25Å; W36-E75 HydrophobicContact CZ3-CB 4.11Å; W36-E75 HydrophobicContact CZ3-CG 3.68Å; N72-E75 PolarHBondContact ND2-OE1 3.16Å; N72-E75 PolarHBondContact O-N 2.82Å; N72-E75 WeakPolarHBondContact OD1-CB 3.48Å; N72-E75 WeakPolarHBondContact OD1-CG 3.37Å; N72-E75 PolarHBondContact OD1-OE1 3.07Å; N72-E75 VanDerWaalsContact OD1-OE1 3.13Å; E73-E75 VanDerWaalsContact C-N 3.33Å
76P91.8Very high91.6Very high49 Ų4963.6 Ų63.632%0.31830%0.303SS..PPolyproline II helixtrans-66.8160.1168.931.9-35.9000110.2Y16 W36Y16-P76 HydrophobicContact CD1-CG 4.31Å; W36-P76 HydrophobicContact CD2-CG 3.77Å; W36-P76 HydrophobicContact CE3-CG 4.42Å; W36-P76 HydrophobicContact CG-CG 4Å; W36-P76 HydrophobicContact CZ2-CG 3.95Å
77C93.2Very high91.6Very high43 Ų4365.7 Ų65.729%0.29131%0.314SS..PPolyproline II helixtrans-66.3140.1170.6-65.60000110.4Y68 S69Y68-C77 HydrophobicContact CD1-CB 3.78Å; Y68-C77 HydrophobicContact CD2-CB 4.05Å; Y68-C77 HydrophobicContact CE1-CB 3.39Å; Y68-C77 VanDerWaalsContact CE2-C 3.49Å; Y68-C77 HydrophobicContact CE2-CB 3.68Å; Y68-C77 VanDerWaalsContact CE2-O 3.26Å; Y68-C77 WeakPolarHBondContact CE2-O 3.42Å; Y68-C77 HydrophobicContact CG-CB 4.09Å; Y68-C77 PolarHBondContact OH-O 3.05Å; S69-C77 CarbonylContact O-C 3.54Å; S69-C77 WeakPolarHBondContact O-CA 3.36Å
78C94.1Very high91.6Very high1 Ų173.3 Ų73.31%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-135.3172.3-17954.50000109.6A14 F15 Y16 Y68 S69 W80A14-C78 HydrophobicContact CB-CB 4.44Å; F15-C78 WeakPolarHBondContact O-CB 3.34Å; Y16-C78 HydrophobicContact CD1-CB 3.62Å; Y16-C78 HydrophobicContact CD2-CB 4.13Å; Y16-C78 HydrophobicContact CE1-CB 3.74Å; Y16-C78 HydrophobicContact CE2-CB 4.19Å; Y16-C78 HydrophobicContact CG-CB 3.84Å; Y16-C78 VanDerWaalsContact CZ-SG 3.59Å; Y68-C78 WeakPolarHBondContact CA-O 3.48Å; S69-C78 PolarHBondContact N-O 3.19Å; S69-C78 PolarHBondContact O-N 2.84Å; S69-C78 VanDerWaalsContact O-O 3.09Å; S69-C78 PolarHBondContact O-SG 3.19Å; C78-W80 PolarHBondContact SG-NE1 3.26Å
79W96.1Very high91.4Very high47 Ų4772.1 Ų72.118%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-95.5117.4-176.3-66.4101.1000111A14 F15 E66 V67 Y68 R113A14-W79 WeakPolarHBondContact CA-O 3.46Å; F15-W79 HydrophobicContact CB-CB 4.35Å; F15-W79 PolarHBondContact N-O 3.28Å; F15-W79 PolarHBondContact O-N 3.1Å; E66-W79 HydrophobicContact CB-CB 4.43Å; E66-W79 HydrophobicContact CB-CE3 4.01Å; E66-W79 WeakPolarHBondContact O-CZ3 3.42Å; V67-W79 WeakPolarHBondContact O-CA 3.28Å; Y68-W79 AromaticContact CD2-CD2 3.89Å; Y68-W79 HydrophobicContact CD2-CD2 3.89Å; Y68-W79 AromaticContact CD2-CE2 3.57Å; Y68-W79 HydrophobicContact CD2-CE3 4.33Å; Y68-W79 HydrophobicContact CD2-CG 4.37Å; Y68-W79 HydrophobicContact CD2-CH2 4.25Å; Y68-W79 AromaticContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ3 4.49Å; Y68-W79 AromaticContact CD2-NE1 3.84Å; Y68-W79 HydrophobicContact CE2-CZ2 4.45Å; Y68-W79 HydrophobicContact CG-CH2 4.2Å; Y68-W79 HydrophobicContact CG-CZ2 4.12Å; Y68-W79 HydrophobicContact CG-CZ3 4.45Å; W79-R113 HydrophobicContact CD2-CG 4.48Å; W79-R113 VanDerWaalsContact CD2-CZ 3.49Å; W79-R113 VanDerWaalsContact CE2-NH1 3.35Å; W79-R113 HydrophobicContact CE3-CG 3.79Å; W79-R113 HydrophobicContact CH2-CB 4.28Å; W79-R113 HydrophobicContact CH2-CG 3.98Å; W79-R113 HydrophobicContact CZ3-CB 4.09Å; W79-R113 HydrophobicContact CZ3-CG 3.5Å
80W94.8Very high91.5Very high20 Ų2078.8 Ų78.88%0.07639%0.392CS..EExtended strand (participates in β ladder)trans-106.4139.3179.1-61.178.3000110.4N12 A14 E66 V67 S69 A71 C78 Y96N12-W80 HydrophobicContact CB-CH2 3.9Å; N12-W80 HydrophobicContact CB-CZ3 4.25Å; N12-W80 VanDerWaalsContact ND2-CH2 3.35Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.41Å; A14-W80 HydrophobicContact CB-CD2 3.64Å; A14-W80 HydrophobicContact CB-CE3 3.86Å; A14-W80 HydrophobicContact CB-CG 4.15Å; A14-W80 HydrophobicContact CB-CH2 4.06Å; A14-W80 HydrophobicContact CB-CZ2 3.82Å; A14-W80 HydrophobicContact CB-CZ3 4.07Å; E66-W80 CarbonylContact C-O 3.6Å; E66-W80 VanDerWaalsContact CA-O 3.23Å; E66-W80 WeakPolarHBondContact CA-O 3.33Å; V67-W80 HydrophobicContact CG1-CB 3.84Å; V67-W80 PolarHBondContact N-O 2.79Å; V67-W80 PolarHBondContact O-N 2.92Å; S69-W80 PolarHBondContact O-NE1 2.93Å; A71-W80 HydrophobicContact CB-CH2 4.12Å; A71-W80 HydrophobicContact CB-CZ2 3.87Å; C78-W80 PolarHBondContact SG-NE1 3.26Å; W80-Y96 HydrophobicContact CB-CD1 3.75Å; W80-Y96 HydrophobicContact CB-CE1 3.61Å; W80-Y96 HydrophobicContact CD2-CD1 4.35Å; W80-Y96 HydrophobicContact CD2-CE1 4.21Å; W80-Y96 HydrophobicContact CE3-CD1 4.4Å; W80-Y96 HydrophobicContact CG-CD1 4.11Å; W80-Y96 AromaticContact CG-CE1 3.73Å; W80-Y96 HydrophobicContact CG-CE1 3.73Å
81L94.2Very high91.8Very high68 Ų6878.1 Ų78.136%0.35639%0.393SS..EExtended strand (participates in β ladder)trans-74129.6172.4-169.368.6000109.8E66 A97 V115E66-L81 HydrophobicContact CG-CD1 4.38Å; L81-A97 HydrophobicContact CB-CB 4.22Å; L81-A97 HydrophobicContact CD2-CB 4.23Å; L81-A97 HydrophobicContact CG-CB 4.19Å; L81-A97 WeakPolarHBondContact O-CB 3.46Å; L81-A97 PolarHBondContact O-N 2.91Å; L81-V115 HydrophobicContact CD1-CG1 4.39Å; L81-V115 HydrophobicContact CD1-CG2 3.79Å
82A94.1Very high92.4Very high2 Ų276.5 Ų76.52%0.01737%0.373CS..EExtended strand (participates in β ladder)trans-144.7165.8-178.700000111V65 V67 I94 E95V65-A82 HydrophobicContact CG2-CB 4.26Å; V65-A82 PolarHBondContact N-O 2.8Å; V65-A82 PolarHBondContact O-N 2.84Å; V67-A82 HydrophobicContact CG1-CB 4.05Å; A82-I94 HydrophobicContact CB-CB 4.38Å; A82-I94 HydrophobicContact CB-CD1 4.27Å; A82-E95 CarbonylContact C-O 3.46Å; A82-E95 WeakPolarHBondContact CA-O 3.37Å; A82-E95 VanDerWaalsContact CB-O 3.31Å; A82-E95 WeakPolarHBondContact CB-O 3.32Å
83K94.6Very high93.1Very high93 Ų9374.8 Ų74.840%0.40437%0.365SS..EExtended strand (participates in β ladder)trans-119.8135.1174.6-173174.1-176.2172.40110.3S62 R85 I94 E95S62-K83 WeakPolarHBondContact O-CE 3.27Å; K83-R85 PolarHBondContact O-N 3.37Å; K83-I94 WeakPolarHBondContact O-CA 3.48Å; K83-E95 PolarHBondContact N-O 3.21Å; K83-E95 PolarHBondContact O-N 2.78Å
84V95.1Very high93.5Very high1 Ų167 Ų671%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-75.4120.4174.5-175.70000109.1I59 N60 S62 D63 V65 I87 Y92 I94I59-V84 HydrophobicContact CG2-CG2 3.68Å; N60-V84 WeakPolarHBondContact O-CB 3.44Å; S62-V84 WeakPolarHBondContact CA-O 3.16Å; S62-V84 PolarHBondContact N-O 3.45Å; D63-V84 PolarHBondContact O-N 3Å; V65-V84 HydrophobicContact CB-CG2 4.47Å; V65-V84 HydrophobicContact CG1-CG2 3.77Å; V65-V84 HydrophobicContact CG2-CG2 3.81Å; V84-I87 HydrophobicContact CG1-CD1 4.16Å; V84-I87 HydrophobicContact CG1-CG1 3.73Å; V84-Y92 HydrophobicContact CG1-CD1 4.21Å; V84-I94 HydrophobicContact CG2-CG2 4.3Å
85R93.6Very high94Very high125 Ų12559 Ų5947%0.47229%0.294SS..EExtended strand (participates in β ladder)trans-91.1-37.1176.2-79.3-168.2167.8-156.62.7113.4K83 V93 E95 N104K83-R85 PolarHBondContact O-N 3.37Å; R85-V93 PolarHBondContact N-O 3.29Å; R85-E95 HydrophobicContact CG-CB 4.22Å; R85-E95 IonicContact CZ-OE1 3.28Å; R85-E95 IonicContact CZ-OE2 3.57Å; R85-E95 VanDerWaalsContact NE-CD 3.35Å; R85-E95 IonicContact NE-OE1 2.7Å; R85-E95 IonicContact NE-OE2 3.79Å; R85-E95 PolarHBondContact NE-OE2 3.27Å; R85-E95 IonicContact NH2-OE1 3.96Å; R85-E95 PolarHBondContact NH2-OE1 2.94Å; R85-E95 IonicContact NH2-OE2 2.72Å; R85-E95 PolarHBondContact NH2-OE2 3.24Å; R85-N104 WeakPolarHBondContact CD-OD1 3.25Å
86M93.3Very high94.2Very high102 Ų10257.5 Ų57.550%0.50229%0.287SS..EExtended strand (participates in β ladder)trans-157.4142.8-175.5-175.9-178.7-68.100110.6E61 V93E61-M86 VanDerWaalsContact OE1-CA 3.31Å; E61-M86 WeakPolarHBondContact OE1-CA 3.48Å; M86-V93 HydrophobicContact CB-CB 4.16Å; M86-V93 HydrophobicContact CB-CG2 4.13Å; M86-V93 PolarHBondContact N-O 3.21Å; M86-V93 PolarHBondContact O-N 3.01Å
87I95.6Very high93.9Very high47 Ų4758.4 Ų58.424%0.24130%0.299CS..EExtended strand (participates in β ladder)trans-117.6126.2173.9-59.1173.4000108.7I59 E61 V84 Y92I59-I87 WeakPolarHBondContact O-CD1 3.4Å; E61-I87 HydrophobicContact CG-CB 4.11Å; E61-I87 HydrophobicContact CG-CD1 4.05Å; E61-I87 HydrophobicContact CG-CG1 3.81Å; E61-I87 PolarHBondContact OE1-N 2.9Å; V84-I87 HydrophobicContact CG1-CD1 4.16Å; V84-I87 HydrophobicContact CG1-CG1 3.73Å; I87-Y92 HydrophobicContact CD1-CD1 3.89Å; I87-Y92 HydrophobicContact CD1-CE1 3.53Å; I87-Y92 HydrophobicContact CG1-CD1 3.65Å; I87-Y92 HydrophobicContact CG1-CE1 3.74Å; I87-Y92 HydrophobicContact CG1-CG 4.43Å; I87-Y92 HydrophobicContact CG2-CD1 4.45Å; I87-Y92 HydrophobicContact CG2-CE1 4.11Å
88K94.8Very high92.8Very high161 Ų16159.8 Ų59.870%0.731%0.305SS*.EExtended strand (participates in β ladder)trans-135.490.6179.3-168.5174.7-178.8178.40110.9E90 F91K88-E90 PolarHBondContact O-N 3.34Å; K88-F91 PolarHBondContact N-O 3.42Å; K88-F91 PolarHBondContact O-N 3.45Å
89G92.9Very high91.4Very high67 Ų6762.5 Ų62.569%0.69132%0.324SS*.THydrogen-bonded Turntrans68.2-123.3-172.500000110.1F91G89-F91 VanDerWaalsContact C-N 3.31Å
90E93.6Very high89.6Confident154 Ų15467.3 Ų67.372%0.7235%0.353SS*.THydrogen-bonded Turntrans-84.7-4.7-179.9-59.8179.7155.500113.6K88K88-E90 PolarHBondContact O-N 3.34Å
91F96.1Very high87.8Confident113 Ų11369.7 Ų69.750%0.49638%0.377SS..EExtended strand (participates in β ladder)trans-101.4132.1-176.3-61.1-75000112.4K88 G89 I106 T108K88-F91 PolarHBondContact N-O 3.42Å; K88-F91 PolarHBondContact O-N 3.45Å; G89-F91 VanDerWaalsContact C-N 3.31Å; F91-I106 HydrophobicContact CB-CG2 3.92Å; F91-I106 HydrophobicContact CD1-CG2 4.02Å; F91-I106 HydrophobicContact CG-CG2 4.3Å; F91-T108 HydrophobicContact CD1-CG2 4.41Å; F91-T108 HydrophobicContact CE1-CG2 4.31Å
92Y96.5Very high86.2Confident33 Ų3371.8 Ų71.813%0.12939%0.393CS..EExtended strand (participates in β ladder)trans-114.9119.8180-65.9-109.4000107.9I59 V84 I87 I106 V107 I109 L112I59-Y92 HydrophobicContact CB-CE1 4.31Å; I59-Y92 HydrophobicContact CG2-CD1 4.14Å; I59-Y92 HydrophobicContact CG2-CE1 3.91Å; V84-Y92 HydrophobicContact CG1-CD1 4.21Å; I87-Y92 HydrophobicContact CD1-CD1 3.89Å; I87-Y92 HydrophobicContact CD1-CE1 3.53Å; I87-Y92 HydrophobicContact CG1-CD1 3.65Å; I87-Y92 HydrophobicContact CG1-CE1 3.74Å; I87-Y92 HydrophobicContact CG1-CG 4.43Å; I87-Y92 HydrophobicContact CG2-CD1 4.45Å; I87-Y92 HydrophobicContact CG2-CE1 4.11Å; Y92-I106 WeakPolarHBondContact O-CA 3.5Å; Y92-V107 PolarHBondContact N-O 3.49Å; Y92-V107 PolarHBondContact O-N 2.67Å; Y92-I109 HydrophobicContact CD2-CB 4.48Å; Y92-I109 HydrophobicContact CE1-CD1 4.27Å; Y92-I109 HydrophobicContact CE2-CB 3.83Å; Y92-I109 HydrophobicContact CE2-CD1 4.23Å; Y92-L112 HydrophobicContact CD1-CD1 3.73Å; Y92-L112 HydrophobicContact CD2-CD1 4.31Å; Y92-L112 HydrophobicContact CG-CD1 3.63Å
93V95.3Very high85.4Confident36 Ų3678.2 Ų78.222%0.21842%0.418CS..EExtended strand (participates in β ladder)trans-86.3117.6171.1-172.40000107.3R85 M86 I106R85-V93 PolarHBondContact N-O 3.29Å; M86-V93 HydrophobicContact CB-CB 4.16Å; M86-V93 HydrophobicContact CB-CG2 4.13Å; M86-V93 PolarHBondContact N-O 3.21Å; M86-V93 PolarHBondContact O-N 3.01Å; V93-I106 HydrophobicContact CG2-CG1 4.37Å
94I94.6Very high85Confident0 Ų077 Ų770%042%0.416CS..EExtended strand (participates in β ladder)trans-116.9152.5-17859.4162.3000112.1V67 A82 K83 V84 Y96 N104 E105 V107 L112V67-I94 HydrophobicContact CB-CD1 3.68Å; V67-I94 HydrophobicContact CG1-CD1 3.72Å; V67-I94 HydrophobicContact CG2-CD1 3.59Å; A82-I94 HydrophobicContact CB-CB 4.38Å; A82-I94 HydrophobicContact CB-CD1 4.27Å; K83-I94 WeakPolarHBondContact O-CA 3.48Å; V84-I94 HydrophobicContact CG2-CG2 4.3Å; I94-Y96 HydrophobicContact CD1-CE2 4.12Å; I94-N104 CarbonylContact O-C 3.59Å; I94-N104 VanDerWaalsContact O-CA 3.22Å; I94-N104 WeakPolarHBondContact O-CA 3.35Å; I94-E105 HydrophobicContact CD1-CB 4.46Å; I94-E105 HydrophobicContact CG1-CB 4.13Å; I94-E105 WeakPolarHBondContact CG1-O 3.29Å; I94-E105 PolarHBondContact N-O 3.01Å; I94-E105 PolarHBondContact O-N 3.38Å; I94-V107 HydrophobicContact CD1-CG1 4.07Å; I94-V107 HydrophobicContact CD1-CG2 4.02Å; I94-V107 HydrophobicContact CG1-CG1 4.41Å; I94-V107 HydrophobicContact CG1-CG2 4.16Å; I94-V107 HydrophobicContact CG2-CG2 4.17Å; I94-L112 HydrophobicContact CG2-CD1 4.38Å; I94-L112 HydrophobicContact CG2-CD2 4.18Å
95E92.8Very high84.9Confident32 Ų3278.6 Ų78.615%0.1542%0.423CS..EExtended strand (participates in β ladder)trans-118.6126.4172.7173.7174.7-144.800109.3A82 K83 R85 A101A82-E95 CarbonylContact C-O 3.46Å; A82-E95 WeakPolarHBondContact CA-O 3.37Å; A82-E95 VanDerWaalsContact CB-O 3.31Å; A82-E95 WeakPolarHBondContact CB-O 3.32Å; K83-E95 PolarHBondContact N-O 3.21Å; K83-E95 PolarHBondContact O-N 2.78Å; R85-E95 HydrophobicContact CG-CB 4.22Å; R85-E95 IonicContact CZ-OE1 3.28Å; R85-E95 IonicContact CZ-OE2 3.57Å; R85-E95 VanDerWaalsContact NE-CD 3.35Å; R85-E95 IonicContact NE-OE1 2.7Å; R85-E95 IonicContact NE-OE2 3.79Å; R85-E95 PolarHBondContact NE-OE2 3.27Å; R85-E95 IonicContact NH2-OE1 3.96Å; R85-E95 PolarHBondContact NH2-OE1 2.94Å; R85-E95 IonicContact NH2-OE2 2.72Å; R85-E95 PolarHBondContact NH2-OE2 3.24Å; E95-A101 WeakPolarHBondContact OE1-CB 3.25Å
96Y91.1Very high84.9Confident14 Ų1478 Ų786%0.05543%0.428CS..EExtended strand (participates in β ladder)trans-75.8134.6179.6-75.8-100000111.6V67 S69 W80 I94 T98 Y103 E105V67-Y96 HydrophobicContact CG1-CD1 4.19Å; V67-Y96 HydrophobicContact CG1-CE1 3.45Å; V67-Y96 VanDerWaalsContact CG1-CE1 3.45Å; S69-Y96 WeakPolarHBondContact CB-OH 3.5Å; S69-Y96 PolarHBondContact OG-OH 3.24Å; W80-Y96 HydrophobicContact CB-CD1 3.75Å; W80-Y96 HydrophobicContact CB-CE1 3.61Å; W80-Y96 HydrophobicContact CD2-CD1 4.35Å; W80-Y96 HydrophobicContact CD2-CE1 4.21Å; W80-Y96 HydrophobicContact CE3-CD1 4.4Å; W80-Y96 HydrophobicContact CG-CD1 4.11Å; W80-Y96 AromaticContact CG-CE1 3.73Å; W80-Y96 HydrophobicContact CG-CE1 3.73Å; I94-Y96 HydrophobicContact CD1-CE2 4.12Å; Y96-T98 VanDerWaalsContact C-N 3.32Å; Y96-T98 PolarHBondContact O-N 3.38Å; Y96-Y103 AromaticContact CD2-CD1 3.74Å; Y96-Y103 HydrophobicContact CD2-CD1 3.74Å; Y96-Y103 HydrophobicContact CD2-CE1 4.26Å; Y96-Y103 AromaticContact CE2-CD1 3.94Å; Y96-Y103 HydrophobicContact CE2-CD1 3.94Å; Y96-Y103 AromaticContact CE2-CE1 3.97Å; Y96-Y103 HydrophobicContact CE2-CE1 3.97Å; Y96-E105 HydrophobicContact CE2-CB 3.96Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.25Å; Y96-E105 PolarHBondContact OH-OE2 2.83Å
97A84.9Confident85Confident68 Ų6873.4 Ų73.456%0.56241%0.406SS*.THydrogen-bonded Turntrans-75.6-17.4-178.600000114.2L81L81-A97 HydrophobicContact CB-CB 4.22Å; L81-A97 HydrophobicContact CD2-CB 4.23Å; L81-A97 HydrophobicContact CG-CB 4.19Å; L81-A97 WeakPolarHBondContact O-CB 3.46Å; L81-A97 PolarHBondContact O-N 2.91Å
98T71.4Confident85Confident71 Ų7173.4 Ų73.444%0.43641%0.408SS..THydrogen-bonded Turntrans-105.2-2.3-17452.50000114.3Y96Y96-T98 VanDerWaalsContact C-N 3.32Å; Y96-T98 PolarHBondContact O-N 3.38Å
99C63.3Low85Confident58 Ų5869.5 Ų69.539%0.39239%0.394SS..SBendtrans-108.8144.6174.3-63.90000108.9A101C99-A101 PolarHBondContact O-N 3.3Å; C99-A101 VanDerWaalsContact O-N 3.15Å
100D59.3Low85.1Confident148 Ų14874.6 Ų74.679%0.79140%0.4SS*.  trans-49.9124.4174-68.2-44.7000109.9T102D100-T102 WeakPolarHBondContact O-CB 3.37Å; D100-T102 PolarHBondContact O-N 3.44Å; D100-T102 PolarHBondContact O-OG1 3.09Å
101A56.1Low85.1Confident71 Ų7170.8 Ų70.859%0.58738%0.379SS*.THydrogen-bonded Turntrans-5657.6-155.700000117.2E95 C99E95-A101 WeakPolarHBondContact OE1-CB 3.25Å; C99-A101 PolarHBondContact O-N 3.3Å; C99-A101 VanDerWaalsContact O-N 3.15Å
102T61Low85.1Confident112 Ų11266.1 Ų66.169%0.68736%0.359SS*.THydrogen-bonded Turntrans-145.4-26.1-166.861.10000112.2D100 N104D100-T102 WeakPolarHBondContact O-CB 3.37Å; D100-T102 PolarHBondContact O-N 3.44Å; D100-T102 PolarHBondContact O-OG1 3.09Å; T102-N104 PolarHBondContact O-N 2.82Å; T102-N104 VanDerWaalsContact O-N 3.16Å; T102-N104 PolarHBondContact O-ND2 3.26Å
103Y78.4Confident85.1Confident136 Ų13666.2 Ų66.253%0.53336%0.359SS..  trans-79.997.7176.4-163.9-99.3000111Y96 E105Y96-Y103 AromaticContact CD2-CD1 3.74Å; Y96-Y103 HydrophobicContact CD2-CD1 3.74Å; Y96-Y103 HydrophobicContact CD2-CE1 4.26Å; Y96-Y103 AromaticContact CE2-CD1 3.94Å; Y96-Y103 HydrophobicContact CE2-CD1 3.94Å; Y96-Y103 AromaticContact CE2-CE1 3.97Å; Y96-Y103 HydrophobicContact CE2-CE1 3.97Å; Y103-E105 HydrophobicContact CE1-CB 4.5Å
104N86.2Confident85.1Confident68 Ų6865.1 Ų65.136%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-100.5136.4173-60.4-83.2000109.7R85 I94 T102R85-N104 WeakPolarHBondContact CD-OD1 3.25Å; I94-N104 CarbonylContact O-C 3.59Å; I94-N104 VanDerWaalsContact O-CA 3.22Å; I94-N104 WeakPolarHBondContact O-CA 3.35Å; T102-N104 PolarHBondContact O-N 2.82Å; T102-N104 VanDerWaalsContact O-N 3.16Å; T102-N104 PolarHBondContact O-ND2 3.26Å
105E91.4Very high85.1Confident34 Ų3467.3 Ų67.316%0.15937%0.367CS..EExtended strand (participates in β ladder)trans-121147.6174.3-167.2-178.1165.700109.9I94 Y96 Y103 V107 R111I94-E105 HydrophobicContact CD1-CB 4.46Å; I94-E105 HydrophobicContact CG1-CB 4.13Å; I94-E105 WeakPolarHBondContact CG1-O 3.29Å; I94-E105 PolarHBondContact N-O 3.01Å; I94-E105 PolarHBondContact O-N 3.38Å; Y96-E105 HydrophobicContact CE2-CB 3.96Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.25Å; Y96-E105 PolarHBondContact OH-OE2 2.83Å; Y103-E105 HydrophobicContact CE1-CB 4.5Å; E105-V107 HydrophobicContact CB-CG1 4.39Å; E105-V107 HydrophobicContact CG-CG1 3.84Å; E105-R111 IonicContact OE1-CZ 3.21Å; E105-R111 IonicContact OE1-NH1 2.89Å; E105-R111 PolarHBondContact OE1-NH1 3.46Å; E105-R111 IonicContact OE1-NH2 2.72Å; E105-R111 PolarHBondContact OE1-NH2 2.93Å; E105-R111 IonicContact OE2-NH2 2.63Å
106I94.6Very high85.3Confident114 Ų11466.2 Ų66.259%0.58536%0.362SS*.EExtended strand (participates in β ladder)trans-102119171.4-53.6-178.4000107.6F91 Y92 V93F91-I106 HydrophobicContact CB-CG2 3.92Å; F91-I106 HydrophobicContact CD1-CG2 4.02Å; F91-I106 HydrophobicContact CG-CG2 4.3Å; Y92-I106 WeakPolarHBondContact O-CA 3.5Å; V93-I106 HydrophobicContact CG2-CG1 4.37Å
107V96Very high85.5Confident4 Ų468.5 Ų68.52%0.02438%0.378CS..EExtended strand (participates in β ladder)trans-128.1161.2-177.3-57.80000111.5V67 Y92 I94 E105 R111 L112V67-V107 HydrophobicContact CG2-CG1 4.29Å; Y92-V107 PolarHBondContact N-O 3.49Å; Y92-V107 PolarHBondContact O-N 2.67Å; I94-V107 HydrophobicContact CD1-CG1 4.07Å; I94-V107 HydrophobicContact CD1-CG2 4.02Å; I94-V107 HydrophobicContact CG1-CG1 4.41Å; I94-V107 HydrophobicContact CG1-CG2 4.16Å; I94-V107 HydrophobicContact CG2-CG2 4.17Å; E105-V107 HydrophobicContact CB-CG1 4.39Å; E105-V107 HydrophobicContact CG-CG1 3.84Å; V107-R111 HydrophobicContact CB-CB 4.44Å; V107-L112 HydrophobicContact CG2-CD1 3.98Å; V107-L112 HydrophobicContact CG2-CD2 3.8Å; V107-L112 HydrophobicContact CG2-CG 3.82Å
108T95.5Very high86Confident48 Ų4867.6 Ų67.629%0.29436%0.364SS..EExtended strand (participates in β ladder)trans-90.3161.6169.154.30000110.4F91 E110 R111F91-T108 HydrophobicContact CD1-CG2 4.41Å; F91-T108 HydrophobicContact CE1-CG2 4.31Å; T108-E110 PolarHBondContact O-N 2.9Å; T108-E110 VanDerWaalsContact O-N 3.11Å; T108-R111 PolarHBondContact O-N 3.35Å; T108-R111 VanDerWaalsContact O-N 3.1Å
109I93.6Very high87.2Confident79 Ų7972.9 Ų72.941%0.40538%0.381SS..G310 helixtrans-55.1-28.7177.5-169.960.3000113.3I59 Y92 R111 L112I59-I109 HydrophobicContact CB-CD1 4.49Å; I59-I109 HydrophobicContact CD1-CD1 3.91Å; Y92-I109 HydrophobicContact CD2-CB 4.48Å; Y92-I109 HydrophobicContact CE1-CD1 4.27Å; Y92-I109 HydrophobicContact CE2-CB 3.83Å; Y92-I109 HydrophobicContact CE2-CD1 4.23Å; I109-R111 PolarHBondContact O-N 2.97Å; I109-L112 HydrophobicContact CD1-CB 4.39Å; I109-L112 PolarHBondContact O-N 3.14Å
110E94.4Very high88.8Confident174 Ų17473.1 Ų73.181%0.81338%0.382SS*.G310 helixtrans-61-25.4178.6-57.8-177.2149.100114T108T108-E110 PolarHBondContact O-N 2.9Å; T108-E110 VanDerWaalsContact O-N 3.11Å
111R95.6Very high90.6Very high74 Ų7466.6 Ų66.628%0.27935%0.348SS..G310 helixtrans-94.6-0.2176.5-72.8-18061.8-156-7.6113V67 Y68 S69 E105 V107 T108 I109V67-R111 CarbonylContact C-O 3.45Å; V67-R111 WeakPolarHBondContact CA-O 3.3Å; V67-R111 HydrophobicContact CG2-CB 4.5Å; Y68-R111 PolarHBondContact N-O 3.49Å; Y68-R111 PolarHBondContact O-NE 3.32Å; Y68-R111 PolarHBondContact O-NH2 3.34Å; Y68-R111 VanDerWaalsContact O-NH2 3.13Å; S69-R111 PolarHBondContact OG-NH2 2.92Å; E105-R111 IonicContact OE1-CZ 3.21Å; E105-R111 IonicContact OE1-NH1 2.89Å; E105-R111 PolarHBondContact OE1-NH1 3.46Å; E105-R111 IonicContact OE1-NH2 2.72Å; E105-R111 PolarHBondContact OE1-NH2 2.93Å; E105-R111 IonicContact OE2-NH2 2.63Å; V107-R111 HydrophobicContact CB-CB 4.44Å; T108-R111 PolarHBondContact O-N 3.35Å; T108-R111 VanDerWaalsContact O-N 3.1Å; I109-R111 PolarHBondContact O-N 2.97Å
112L95.5Very high92.5Very high15 Ų1566.7 Ų66.78%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-110.6147.9-178.4-64.8-178.5000111.5I59 V65 V67 Y92 I94 V107 I109I59-L112 HydrophobicContact CD1-CB 3.9Å; V65-L112 HydrophobicContact CG2-CD2 4.04Å; V67-L112 HydrophobicContact CB-CD2 3.76Å; V67-L112 HydrophobicContact CG2-CD2 3.95Å; Y92-L112 HydrophobicContact CD1-CD1 3.73Å; Y92-L112 HydrophobicContact CD2-CD1 4.31Å; Y92-L112 HydrophobicContact CG-CD1 3.63Å; I94-L112 HydrophobicContact CG2-CD1 4.38Å; I94-L112 HydrophobicContact CG2-CD2 4.18Å; V107-L112 HydrophobicContact CG2-CD1 3.98Å; V107-L112 HydrophobicContact CG2-CD2 3.8Å; V107-L112 HydrophobicContact CG2-CG 3.82Å; I109-L112 HydrophobicContact CD1-CB 4.39Å; I109-L112 PolarHBondContact O-N 3.14Å
113R95.8Very high94Very high34 Ų3466.7 Ų66.713%0.12833%0.332CS..EExtended strand (participates in β ladder)trans-140157.3164.170.6-178-169.4-175.56.2110.5E7 E66 W79E7-R113 IonicContact OE1-CZ 2.7Å; E7-R113 IonicContact OE1-NH1 3.21Å; E7-R113 PolarHBondContact OE1-NH1 3.15Å; E7-R113 IonicContact OE1-NH2 2.88Å; E7-R113 PolarHBondContact OE1-NH2 2.94Å; E7-R113 IonicContact OE2-NH2 3.99Å; E7-R113 PolarHBondContact OE2-NH2 2.89Å; E66-R113 HydrophobicContact CB-CG 3.86Å; E66-R113 PolarHBondContact N-O 2.99Å; E66-R113 PolarHBondContact O-N 3.08Å; E66-R113 IonicContact OE2-CZ 3.85Å; E66-R113 IonicContact OE2-NE 2.78Å; E66-R113 PolarHBondContact OE2-NE 3.25Å; E66-R113 IonicContact OE2-NH2 3.88Å; E66-R113 PolarHBondContact OE2-NH2 3.38Å; W79-R113 HydrophobicContact CD2-CG 4.48Å; W79-R113 VanDerWaalsContact CD2-CZ 3.49Å; W79-R113 VanDerWaalsContact CE2-NH1 3.35Å; W79-R113 HydrophobicContact CE3-CG 3.79Å; W79-R113 HydrophobicContact CH2-CB 4.28Å; W79-R113 HydrophobicContact CH2-CG 3.98Å; W79-R113 HydrophobicContact CZ3-CB 4.09Å; W79-R113 HydrophobicContact CZ3-CG 3.5Å
114S95Very high94.7Very high13 Ų1366.2 Ų66.29%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-59.9143.3167.1-38.10000110K57 N116K57-S114 WeakPolarHBondContact CB-OG 3.21Å; K57-S114 PolarHBondContact N-OG 2.78Å; K57-S114 PolarHBondContact O-OG 3.11Å; S114-N116 PolarHBondContact O-N 2.89Å
115V95.4Very high95.2Very high47 Ų4764.3 Ų64.329%0.28533%0.33SS..PPolyproline II helixtrans-51.5132.7179.5-179.80000111.1E64 E66 L81 P117E64-V115 HydrophobicContact CB-CG2 4.08Å; E64-V115 WeakPolarHBondContact O-CG2 3.32Å; E66-V115 HydrophobicContact CG-CG2 4.36Å; L81-V115 HydrophobicContact CD1-CG1 4.39Å; L81-V115 HydrophobicContact CD1-CG2 3.79Å; V115-P117 WeakPolarHBondContact O-CD 3.35Å
116N96.4Very high95.5Very high9 Ų963.1 Ų63.15%0.04832%0.324CS..PPolyproline II helixtrans-57.9118.3-178.9-175.9-10.5000110.6E7 R48 F49 P51 E66 S114 N118E7-N116 PolarHBondContact OE2-ND2 2.8Å; R48-N116 PolarHBondContact NE-ND2 2.91Å; F49-N116 PolarHBondContact O-ND2 3.47Å; P51-N116 WeakPolarHBondContact CD-ND2 3.39Å; P51-N116 HydrophobicContact CG-CB 3.88Å; E66-N116 PolarHBondContact OE2-N 2.96Å; S114-N116 PolarHBondContact O-N 2.89Å; N116-N118 PolarHBondContact O-N 3.41Å; N116-N118 WeakPolarHBondContact OD1-CB 3.29Å; N116-N118 PolarHBondContact OD1-N 2.99Å; N116-N118 PolarHBondContact OD1-ND2 2.88Å
117P95.5Very high95.6Very high61 Ų6159.9 Ų59.940%0.39631%0.306SS..  trans-77.6-9.5-174.932.9-36.7000113.2P52 Y55 V115 K119P52-P117 HydrophobicContact CG-CG 4.26Å; Y55-P117 HydrophobicContact CD1-CG 4.04Å; Y55-P117 HydrophobicContact CD2-CG 4.32Å; Y55-P117 HydrophobicContact CE1-CB 4.4Å; Y55-P117 HydrophobicContact CE1-CG 3.79Å; Y55-P117 HydrophobicContact CE2-CB 4.47Å; Y55-P117 HydrophobicContact CE2-CG 4.08Å; Y55-P117 HydrophobicContact CG-CG 4.29Å; V115-P117 WeakPolarHBondContact O-CD 3.35Å; P117-K119 PolarHBondContact O-N 2.94Å
118N96.5Very high95.6Very high49 Ų4963 Ų6326%0.26232%0.32SS..PPolyproline II helixtrans-73127.9-178.7-66.3-35000111F49 P50 N116F49-N118 PolarHBondContact O-ND2 3.13Å; P50-N118 PolarHBondContact O-ND2 2.97Å; N116-N118 PolarHBondContact O-N 3.41Å; N116-N118 WeakPolarHBondContact OD1-CB 3.29Å; N116-N118 PolarHBondContact OD1-N 2.99Å; N116-N118 PolarHBondContact OD1-ND2 2.88Å
119K95.9Very high95.7Very high182 Ų18261.4 Ų61.479%0.79131%0.309SS*.PPolyproline II helixtrans-66.9157.7171.2-63.5-176.3-179.5-178.40110.6P117P117-K119 PolarHBondContact O-N 2.94Å
120P96.3Very high95.9Very high64 Ų6462.5 Ų62.542%0.41631%0.311SS..BIsolated β-bridgetrans-56.7155.4169.6-23.734.3000112.6H45 V47H45-P120 WeakPolarHBondContact O-CB 3.21Å; V47-P120 CarbonylContact O-C 3.59Å; V47-P120 VanDerWaalsContact O-CA 3.22Å; V47-P120 WeakPolarHBondContact O-CA 3.35Å
121A96.8Very high96.1Very high11 Ų1154.9 Ų54.99%0.09128%0.276CS..PPolyproline II helixtrans-68161177.800000112.1F44 V47 T125 F126F44-A121 CarbonylContact C-O 3.59Å; F44-A121 HydrophobicContact CB-CB 4.15Å; F44-A121 WeakPolarHBondContact CB-O 3.48Å; F44-A121 PolarHBondContact O-N 3.41Å; V47-A121 HydrophobicContact CB-CB 4.3Å; V47-A121 PolarHBondContact O-N 3.48Å; A121-T125 HydrophobicContact CB-CG2 3.89Å; A121-F126 HydrophobicContact CB-CD2 4.47Å; A121-F126 HydrophobicContact CB-CE2 3.77Å
122T96.1Very high96.2Very high72 Ų7256.9 Ų56.944%0.44229%0.292SS..  trans-126.9172175.965.40000110.2D124 T125T122-D124 PolarHBondContact O-N 3.17Å; T122-D124 VanDerWaalsContact O-N 3.13Å; T122-D124 PolarHBondContact OG1-N 3Å; T122-T125 PolarHBondContact N-OG1 3.43Å; T122-T125 VanDerWaalsContact O-CB 3.24Å; T122-T125 WeakPolarHBondContact O-CB 3.42Å; T122-T125 PolarHBondContact O-N 2.93Å; T122-T125 PolarHBondContact O-OG1 2.87Å; T122-T125 PolarHBondContact OG1-OG1 2.86Å; T122-T125 VanDerWaalsContact OG1-OG1 3.12Å
123K93.4Very high96.3Very high112 Ų11256.5 Ų56.549%0.48729%0.29SS..THydrogen-bonded Turntrans-54.9-29.8174.3-171168.6-174.6170.70113.2E25 F44 T125E25-K123 VanDerWaalsContact O-CE 3.28Å; E25-K123 WeakPolarHBondContact O-CE 3.16Å; E25-K123 IonicContact OE1-NZ 3.79Å; E25-K123 PolarHBondContact OE1-NZ 3.21Å; F44-K123 HydrophobicContact CD2-CB 4.42Å; F44-K123 HydrophobicContact CE2-CB 4.06Å; F44-K123 HydrophobicContact CE2-CG 4.27Å; K123-T125 VanDerWaalsContact C-N 3.34Å
124D93.3Very high96.3Very high127 Ų12756.8 Ų56.868%0.67930%0.297SS*.THydrogen-bonded Turntrans-86.9-1.1-180-45.6-56.6000113.5T122 H127T122-D124 PolarHBondContact O-N 3.17Å; T122-D124 VanDerWaalsContact O-N 3.13Å; T122-D124 PolarHBondContact OG1-N 3Å; D124-H127 PolarHBondContact O-CE1 3.08Å
125T96Very high96.3Very high28 Ų2863.1 Ų63.117%0.17232%0.324CS..SBendtrans-80.1-28.3-178.5-58.80000113F49 A121 T122 K123 I173F49-T125 HydrophobicContact CE2-CG2 3.57Å; F49-T125 HydrophobicContact CZ-CG2 3.7Å; A121-T125 HydrophobicContact CB-CG2 3.89Å; T122-T125 PolarHBondContact N-OG1 3.43Å; T122-T125 VanDerWaalsContact O-CB 3.24Å; T122-T125 WeakPolarHBondContact O-CB 3.42Å; T122-T125 PolarHBondContact O-N 2.93Å; T122-T125 PolarHBondContact O-OG1 2.87Å; T122-T125 PolarHBondContact OG1-OG1 2.86Å; T122-T125 VanDerWaalsContact OG1-OG1 3.12Å; K123-T125 VanDerWaalsContact C-N 3.34Å; T125-I173 WeakPolarHBondContact O-CA 3.31Å
126F97.1Very high96.2Very high8 Ų864.9 Ų64.94%0.03533%0.333CS..  trans-127.2138.2-176.8-62.1-78.7000110.6L4 V6 V20 V23 I28 F44 V47 F49 A121 I173L4-F126 HydrophobicContact CD2-CE1 3.92Å; V6-F126 HydrophobicContact CG1-CZ 4.24Å; V20-F126 HydrophobicContact CG2-CE1 4.12Å; V23-F126 HydrophobicContact CB-CB 4.45Å; V23-F126 HydrophobicContact CG1-CB 3.65Å; V23-F126 HydrophobicContact CG2-CB 3.87Å; V23-F126 HydrophobicContact CG2-CD1 4.46Å; V23-F126 HydrophobicContact CG2-CG 4.39Å; I28-F126 HydrophobicContact CD1-CE2 4.21Å; I28-F126 HydrophobicContact CD1-CZ 4.11Å; I28-F126 HydrophobicContact CG2-CB 4.48Å; I28-F126 HydrophobicContact CG2-CD2 3.76Å; I28-F126 HydrophobicContact CG2-CE2 4.05Å; I28-F126 HydrophobicContact CG2-CG 4.03Å; F44-F126 AromaticContact CD1-CD2 3.91Å; F44-F126 HydrophobicContact CD1-CD2 3.91Å; F44-F126 HydrophobicContact CD1-CE2 4.31Å; F44-F126 AromaticContact CE1-CD2 3.79Å; F44-F126 HydrophobicContact CE1-CD2 3.79Å; V47-F126 HydrophobicContact CG1-CE2 4.41Å; V47-F126 HydrophobicContact CG1-CZ 4.34Å; F49-F126 HydrophobicContact CE1-CE1 4.41Å; F49-F126 HydrophobicContact CE1-CZ 4.42Å; F49-F126 HydrophobicContact CZ-CE1 4.32Å; F49-F126 HydrophobicContact CZ-CZ 4.25Å; A121-F126 HydrophobicContact CB-CD2 4.47Å; A121-F126 HydrophobicContact CB-CE2 3.77Å; F126-I173 HydrophobicContact CD1-CG2 3.87Å; F126-I173 HydrophobicContact CE1-CG2 3.94Å
127H96.4Very high96.2Very high46 Ų4664.5 Ų64.521%0.21333%0.33CS..EExtended strand (participates in β ladder)trans-128.1130.9-179.2-47.8-59.1000110.6D124 I129 L171 S172 N174 E175D124-H127 PolarHBondContact O-CE1 3.08Å; H127-I129 HydrophobicContact CB-CD1 4.44Å; H127-L171 WeakPolarHBondContact O-CA 3.43Å; H127-S172 PolarHBondContact N-O 3.43Å; H127-S172 PolarHBondContact O-N 2.99Å; H127-N174 PolarHBondContact CD2-O 3.05Å; H127-E175 PolarHBondContact CD2-N 3.46Å; H127-E175 VanDerWaalsContact NE2-CA 3.34Å; H127-E175 WeakPolarHBondContact NE2-CA 3.4Å; H127-E175 PolarHBondContact NE2-N 3.25Å
128K97.2Very high96.1Very high71 Ų7164.5 Ų64.531%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-113.3122.4173.8-176.7163.1174.1177.10109.3D22 V23 V169 I170 L171D22-K128 VanDerWaalsContact OD1-CE 3.23Å; D22-K128 WeakPolarHBondContact OD1-CE 3.37Å; D22-K128 IonicContact OD1-NZ 3.15Å; D22-K128 PolarHBondContact OD1-NZ 2.81Å; D22-K128 IonicContact OD2-NZ 3.36Å; D22-K128 PolarHBondContact OD2-NZ 3.49Å; V23-K128 HydrophobicContact CB-CB 4.21Å; V23-K128 HydrophobicContact CB-CD 4.39Å; V23-K128 HydrophobicContact CG1-CB 4.4Å; V23-K128 WeakPolarHBondContact O-CD 3.06Å; V23-K128 PolarHBondContact O-NZ 3.18Å; K128-V169 HydrophobicContact CD-CG1 4.48Å; K128-V169 HydrophobicContact CG-CG1 4.19Å; K128-I170 WeakPolarHBondContact CA-O 3.14Å; K128-L171 HydrophobicContact CB-CD2 3.95Å; K128-L171 HydrophobicContact CD-CD2 3.95Å; K128-L171 HydrophobicContact CG-CD2 3.72Å
129I97.6Very high95.9Very high13 Ų1369.9 Ų69.97%0.06735%0.346CS..EExtended strand (participates in β ladder)trans-115.5136.2174.3-54.199.2000108.1H127 L131 I170 T177H127-I129 HydrophobicContact CB-CD1 4.44Å; I129-L131 HydrophobicContact CG2-CD2 4.14Å; I129-L131 HydrophobicContact CG2-CG 4.23Å; I129-I170 HydrophobicContact CB-CB 4.24Å; I129-I170 HydrophobicContact CD1-CG2 4.35Å; I129-I170 PolarHBondContact N-O 3.27Å; I129-I170 PolarHBondContact O-N 3.36Å; I129-T177 HydrophobicContact CD1-CG2 4.21Å
130K97.8Very high95.7Very high102 Ų10261.8 Ų61.844%0.44331%0.311SS..EExtended strand (participates in β ladder)trans-115131.1175.8-67176.8161-147.70108.2
131L97.9Very high95.6Very high15 Ų1558.8 Ų58.88%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-130.4130.4177.4-60.2176.3000109.7I129 Q167 L168 I170 A181 I185I129-L131 HydrophobicContact CG2-CD2 4.14Å; I129-L131 HydrophobicContact CG2-CG 4.23Å; L131-Q167 CarbonylContact O-C 3.59Å; L131-Q167 WeakPolarHBondContact O-CA 3.45Å; L131-L168 PolarHBondContact N-O 3.2Å; L131-L168 PolarHBondContact O-N 3.14Å; L131-I170 HydrophobicContact CD1-CD1 3.72Å; L131-I170 HydrophobicContact CG-CD1 4.38Å; L131-A181 HydrophobicContact CD1-CB 4.14Å; L131-I185 HydrophobicContact CD1-CB 3.93Å; L131-I185 HydrophobicContact CD1-CD1 3.81Å; L131-I185 HydrophobicContact CD1-CG1 3.79Å; L131-I185 HydrophobicContact CD1-CG2 4.48Å
132D97.9Very high95.5Very high116 Ų11661.5 Ų61.562%0.6231%0.314SS*.EExtended strand (participates in β ladder)trans-67.8137.1-177.8-57.4-46.9000112Q167 F189D132-Q167 WeakPolarHBondContact OD1-CG 3.35Å; D132-Q167 PolarHBondContact OD1-NE2 2.8Å; D132-F189 WeakPolarHBondContact O-CZ 3.3Å
133V97.8Very high95.3Very high6 Ų664.1 Ų64.14%0.03632%0.319CS..PPolyproline II helixtrans-103.1119.9-178.7-179.80000110.5L137 R138 C141 Y161 Y166 L168 F189V133-L137 HydrophobicContact CG1-CB 4.2Å; V133-R138 HydrophobicContact CG1-CG 4.14Å; V133-C141 HydrophobicContact CG1-CB 4.19Å; V133-Y161 HydrophobicContact CB-CD2 4.38Å; V133-Y161 HydrophobicContact CB-CE2 3.92Å; V133-Y161 HydrophobicContact CG1-CE2 4.13Å; V133-Y161 HydrophobicContact CG2-CD2 3.91Å; V133-Y161 HydrophobicContact CG2-CE2 3.94Å; V133-Y166 WeakPolarHBondContact CB-O 3.4Å; V133-Y166 PolarHBondContact N-O 2.71Å; V133-L168 HydrophobicContact CG2-CB 3.84Å; V133-F189 HydrophobicContact CB-CZ 4.46Å; V133-F189 HydrophobicContact CG1-CE1 4.4Å; V133-F189 HydrophobicContact CG2-CE1 4.37Å; V133-F189 HydrophobicContact CG2-CZ 4.14Å
134P96.6Very high95.1Very high41 Ų4162 Ų6227%0.26631%0.311SS..PPolyproline II helixtrans-53.5141172.7-28.636.8000112.7D136 L137 R138 F189P134-D136 VanDerWaalsContact C-N 3.27Å; P134-D136 WeakPolarHBondContact CB-OD1 3.18Å; P134-D136 PolarHBondContact O-N 3.44Å; P134-L137 PolarHBondContact O-N 2.88Å; P134-R138 PolarHBondContact O-N 3.31Å; P134-F189 VanDerWaalsContact CD-CE2 3.45Å; P134-F189 HydrophobicContact CG-CD2 4.16Å; P134-F189 HydrophobicContact CG-CE2 4.12Å
135E94.9Very high95Very high145 Ų14560.2 Ų60.268%0.67831%0.314SS*.G310 helixtrans-55.4-40.1-174.1-179156.5-125.300113.5L137 R138E135-L137 PolarHBondContact O-N 3.09Å; E135-L137 VanDerWaalsContact O-N 3.1Å; E135-R138 PolarHBondContact O-N 2.97Å; E135-R138 IonicContact OE1-CZ 3.58Å; E135-R138 IonicContact OE1-NH1 2.76Å; E135-R138 PolarHBondContact OE1-NH1 3.44Å
136D93.3Very high94.9Very high85 Ų8559.8 Ų59.846%0.45531%0.313SS..G310 helixtrans-63.9-14.1177.969.7-57.2000114.1P134 R193P134-D136 VanDerWaalsContact C-N 3.27Å; P134-D136 WeakPolarHBondContact CB-OD1 3.18Å; P134-D136 PolarHBondContact O-N 3.44Å; D136-R193 IonicContact OD1-CZ 2.89Å; D136-R193 IonicContact OD1-NE 2.73Å; D136-R193 IonicContact OD1-NH2 3.47Å; D136-R193 PolarHBondContact OD1-NH2 2.98Å; D136-R193 IonicContact OD2-CZ 3.38Å; D136-R193 IonicContact OD2-NE 3.37Å; D136-R193 PolarHBondContact OD2-NE 3.03Å; D136-R193 IonicContact OD2-NH2 2.69Å; D136-R193 PolarHBondContact OD2-NH2 2.92Å; D136-R193 VanDerWaalsContact OD2-NH2 3.16Å
137L94.9Very high94.8Very high0 Ų059.5 Ų59.50%031%0.312CS..G310 helixtrans-111.5-8.7-178.4-70.6-178.9000114.7V133 P134 E135 Q139 M140 C141 F189 L192 R193V133-L137 HydrophobicContact CG1-CB 4.2Å; P134-L137 PolarHBondContact O-N 2.88Å; E135-L137 PolarHBondContact O-N 3.09Å; E135-L137 VanDerWaalsContact O-N 3.1Å; L137-Q139 PolarHBondContact O-N 3.11Å; L137-M140 PolarHBondContact O-N 3.22Å; L137-C141 PolarHBondContact O-N 2.97Å; L137-C141 PolarHBondContact O-SG 3.06Å; L137-F189 HydrophobicContact CD1-CB 3.54Å; L137-F189 HydrophobicContact CD1-CD1 3.6Å; L137-F189 HydrophobicContact CD1-CE1 4.46Å; L137-F189 HydrophobicContact CD1-CG 3.71Å; L137-L192 HydrophobicContact CD1-CB 4.46Å; L137-L192 HydrophobicContact CD2-CB 3.8Å; L137-R193 HydrophobicContact CD1-CG 4.11Å; L137-R193 HydrophobicContact CD2-CG 3.7Å; L137-R193 HydrophobicContact CG-CG 4.12Å
138R94.8Very high94.7Very high62 Ų6264.6 Ų64.623%0.23433%0.334CS..Hα-helixtrans-54.6-47.7-176-68.8177.3-178.7156.2-2.7112.7V133 P134 E135 M140 C141 A142 Y161V133-R138 HydrophobicContact CG1-CG 4.14Å; P134-R138 PolarHBondContact O-N 3.31Å; E135-R138 PolarHBondContact O-N 2.97Å; E135-R138 IonicContact OE1-CZ 3.58Å; E135-R138 IonicContact OE1-NH1 2.76Å; E135-R138 PolarHBondContact OE1-NH1 3.44Å; R138-M140 VanDerWaalsContact C-N 3.27Å; R138-M140 PolarHBondContact O-N 2.85Å; R138-C141 PolarHBondContact O-N 2.94Å; R138-C141 VanDerWaalsContact O-N 3.16Å; R138-A142 PolarHBondContact O-N 3.04Å; R138-Y161 WeakPolarHBondContact CB-OH 3.5Å; R138-Y161 HydrophobicContact CG-CE2 4.4Å; R138-Y161 VanDerWaalsContact CG-OH 3.3Å; R138-Y161 WeakPolarHBondContact CG-OH 3.43Å
139Q92.2Very high94.6Very high162 Ų16267.4 Ų67.476%0.75735%0.352SS*.Hα-helixtrans-64-30179.2-166.1-17415.900113.2L137L137-Q139 PolarHBondContact O-N 3.11Å
140M91.3Very high94.6Very high12 Ų1267.3 Ų67.36%0.05935%0.351CS..Hα-helixtrans-78.2-35.3174.9-76.2-69.8-75.800112L137 R138 A142 K143 K195 L196 I199L137-M140 PolarHBondContact O-N 3.22Å; R138-M140 VanDerWaalsContact C-N 3.27Å; R138-M140 PolarHBondContact O-N 2.85Å; M140-A142 VanDerWaalsContact C-N 3.35Å; M140-K143 PolarHBondContact O-N 3.02Å; M140-K195 HydrophobicContact CE-CB 4.28Å; M140-K195 HydrophobicContact CE-CD 4.24Å; M140-K195 HydrophobicContact CE-CG 4.11Å; M140-L196 HydrophobicContact CE-CB 4.27Å; M140-L196 HydrophobicContact CG-CB 4.11Å; M140-L196 HydrophobicContact CG-CD1 3.88Å; M140-L196 HydrophobicContact CG-CD2 4.16Å; M140-L196 HydrophobicContact CG-CG 4.27Å; M140-L196 HydrophobicContact SD-CB 4.39Å; M140-L196 HydrophobicContact SD-CD1 3.94Å; M140-I199 HydrophobicContact CE-CD1 4.02Å; M140-I199 HydrophobicContact SD-CD1 4.38Å
141C95.3Very high94.6Very high0 Ų064.2 Ų64.20%034%0.338CS..Hα-helixtrans-73.4-25.5179-60.60000113.1V133 L137 R138 K143 H147 Y161V133-C141 HydrophobicContact CG1-CB 4.19Å; L137-C141 PolarHBondContact O-N 2.97Å; L137-C141 PolarHBondContact O-SG 3.06Å; R138-C141 PolarHBondContact O-N 2.94Å; R138-C141 VanDerWaalsContact O-N 3.16Å; C141-K143 PolarHBondContact O-N 2.92Å; C141-H147 VanDerWaalsContact CA-NE2 3.31Å; C141-H147 WeakPolarHBondContact CA-NE2 3.33Å; C141-H147 PolarHBondContact O-NE2 3.09Å; C141-H147 VanDerWaalsContact O-NE2 3.17Å; C141-Y161 HydrophobicContact CB-CD2 3.81Å; C141-Y161 HydrophobicContact CB-CE2 4.47Å; C141-Y161 HydrophobicContact CB-CG 3.9Å; C141-Y161 WeakPolarHBondContact O-CB 3.5Å
142A94.2Very high94.5Very high68 Ų6871.8 Ų71.856%0.56237%0.37SS*.THydrogen-bonded Turntrans-57.6-16.6171.600000114.2R138 M140 Y161R138-A142 PolarHBondContact O-N 3.04Å; M140-A142 VanDerWaalsContact C-N 3.35Å; A142-Y161 HydrophobicContact CB-CD1 4.14Å
143K92.1Very high94.4Very high128 Ų12868.8 Ų68.856%0.55736%0.361SS*.  trans-94.499.8175.8-63175.7-177174.70109.7M140 C141 A145 A146M140-K143 PolarHBondContact O-N 3.02Å; C141-K143 PolarHBondContact O-N 2.92Å; K143-A145 PolarHBondContact O-N 2.87Å; K143-A146 HydrophobicContact CB-CB 4.46Å; K143-A146 WeakPolarHBondContact O-CB 3.45Å; K143-A146 PolarHBondContact O-N 3.05Å
144E88.9Confident94.4Very high66 Ų6668.5 Ų68.531%0.30836%0.36SS..G310 helixtrans-51.9-37.1-177.9-161.8-162.4140.500113.5M1 A146 H147 T160M1-E144 VanDerWaalsContact CE-CD 3.4Å; M1-E144 VanDerWaalsContact CE-OE1 3.27Å; M1-E144 WeakPolarHBondContact CE-OE1 3.27Å; M1-E144 WeakPolarHBondContact CE-OE2 3.4Å; M1-E144 VanDerWaalsContact SD-OE1 3.4Å; E144-A146 PolarHBondContact O-N 2.85Å; E144-H147 PolarHBondContact O-N 2.95Å; E144-T160 HydrophobicContact CG-CG2 4.32Å
145A91.4Very high94.3Very high90 Ų9067.6 Ų67.674%0.74436%0.357SS*.G310 helixtrans-57.9-21175.800000114.2K143 H147K143-A145 PolarHBondContact O-N 2.87Å; A145-H147 PolarHBondContact O-N 2.94Å
146A92.9Very high94.4Very high19 Ų1961.3 Ų61.316%0.15733%0.33CS..G310 helixtrans-69.3-18.417400000113.3K143 E144 L192K143-A146 HydrophobicContact CB-CB 4.46Å; K143-A146 WeakPolarHBondContact O-CB 3.45Å; K143-A146 PolarHBondContact O-N 3.05Å; E144-A146 PolarHBondContact O-N 2.85Å; A146-L192 HydrophobicContact CB-CD2 4.03Å
147H95.7Very high94.5Very high3 Ų358.5 Ų58.51%0.01431%0.314CS..G310 helixtrans-101.7-1.2-176-59.1-80.1000114.1C141 E144 A145 D149 F150 K151 V159 L168 H188C141-H147 VanDerWaalsContact CA-NE2 3.31Å; C141-H147 WeakPolarHBondContact CA-NE2 3.33Å; C141-H147 PolarHBondContact O-NE2 3.09Å; C141-H147 VanDerWaalsContact O-NE2 3.17Å; E144-H147 PolarHBondContact O-N 2.95Å; A145-H147 PolarHBondContact O-N 2.94Å; H147-D149 VanDerWaalsContact C-N 3.35Å; H147-D149 PolarHBondContact O-N 3.24Å; H147-F150 PolarHBondContact O-N 2.95Å; H147-K151 VanDerWaalsContact O-CB 3.29Å; H147-K151 WeakPolarHBondContact O-CB 3.42Å; H147-K151 PolarHBondContact O-N 3.33Å; H147-V159 HydrophobicContact CB-CB 4.02Å; H147-V159 HydrophobicContact CB-CG1 3.7Å; H147-L168 WeakPolarHBondContact CE1-CD1 3.34Å; H147-H188 AromaticContact CE1-NE2 3.43Å; H147-H188 PolarHBondContact CE1-NE2 2.89Å; H147-H188 AromaticContact ND1-CE1 3.78Å; H147-H188 AromaticContact ND1-NE2 3.07Å; H147-H188 PolarHBondContact ND1-NE2 3.38Å
148K94.8Very high94.6Very high152 Ų15259.5 Ų59.566%0.66132%0.321SS*.Hα-helixtrans-52.8-46.6-173.8-174.1-179.3178.8-177.20113.6K152K148-K152 PolarHBondContact O-N 2.98Å
149D94.9Very high94.7Very high130 Ų13056.6 Ų56.670%0.69531%0.31SS*.Hα-helixtrans-76.1-37.1-177-58.6-39.5000111.8H147 K152 A153H147-D149 VanDerWaalsContact C-N 3.35Å; H147-D149 PolarHBondContact O-N 3.24Å; D149-K152 PolarHBondContact O-N 2.9Å; D149-A153 WeakPolarHBondContact O-CB 3.26Å; D149-A153 PolarHBondContact O-N 3.39Å
150F97.4Very high94.9Very high11 Ų1151.3 Ų51.35%0.04829%0.289CS..Hα-helixtrans-63.5-46.9174.1179.5-108.2000111.6H147 K152 A153 V154 V159 L168 I170 L184 I185 H188H147-F150 PolarHBondContact O-N 2.95Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.37Å; F150-A153 PolarHBondContact O-N 3.02Å; F150-V154 HydrophobicContact CD2-CG1 4.12Å; F150-V154 HydrophobicContact CE1-CG1 4.19Å; F150-V154 HydrophobicContact CE2-CG1 3.75Å; F150-V154 HydrophobicContact CZ-CG1 3.79Å; F150-V154 WeakPolarHBondContact O-CG2 3.32Å; F150-V154 PolarHBondContact O-N 2.96Å; F150-V159 HydrophobicContact CD1-CG1 4.24Å; F150-L168 HydrophobicContact CD1-CD2 4.4Å; F150-L168 HydrophobicContact CE1-CD2 4.02Å; F150-I170 HydrophobicContact CE1-CD1 3.8Å; F150-I170 HydrophobicContact CZ-CD1 4.27Å; F150-L184 HydrophobicContact CD2-CB 4.32Å; F150-L184 HydrophobicContact CE2-CB 3.78Å; F150-I185 HydrophobicContact CE1-CD1 4.32Å; F150-I185 HydrophobicContact CE2-CD1 4.48Å; F150-I185 HydrophobicContact CZ-CB 4.41Å; F150-I185 HydrophobicContact CZ-CD1 3.89Å; F150-H188 HydrophobicContact CD2-CB 3.59Å; F150-H188 AromaticContact CD2-CG 3.76Å; F150-H188 HydrophobicContact CE2-CB 3.92Å; F150-H188 HydrophobicContact CG-CB 4.15Å; F150-H188 AromaticContact CG-CG 3.78Å; F150-H188 AromaticContact CG-ND1 3.97Å
151K96.6Very high95.2Very high37 Ų3752.6 Ų52.616%0.16129%0.293CS..Hα-helixtrans-50.6-49.2173178.1169114.2161.70111.6H147 V154 G155 A156 F157 V159H147-K151 VanDerWaalsContact O-CB 3.29Å; H147-K151 WeakPolarHBondContact O-CB 3.42Å; H147-K151 PolarHBondContact O-N 3.33Å; K151-V154 WeakPolarHBondContact O-CG2 3.42Å; K151-G155 PolarHBondContact O-N 3.4Å; K151-G155 VanDerWaalsContact O-N 3.1Å; K151-A156 HydrophobicContact CG-CB 4.3Å; K151-A156 WeakPolarHBondContact CG-O 3.25Å; K151-A156 PolarHBondContact O-N 3.32Å; K151-F157 WeakPolarHBondContact CD-O 3.28Å; K151-F157 VanDerWaalsContact CE-O 3.22Å; K151-F157 WeakPolarHBondContact CE-O 3.44Å; K151-F157 PolarHBondContact NZ-O 3.08Å; K151-V159 HydrophobicContact CB-CB 4.18Å; K151-V159 HydrophobicContact CB-CG2 3.6Å; K151-V159 HydrophobicContact CD-CG2 4.34Å; K151-V159 HydrophobicContact CG-CG2 3.89Å
152K95.9Very high95.2Very high175 Ų17554 Ų5476%0.76130%0.301SS*.Hα-helixtrans-63.8-42.6176.2-173.1178.2-179.9-1800112.5K148 D149 F150 G155K148-K152 PolarHBondContact O-N 2.98Å; D149-K152 PolarHBondContact O-N 2.9Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.37Å; K152-G155 PolarHBondContact O-N 2.91Å
153A96.5Very high95.3Very high53 Ų5354.9 Ų54.944%0.43830%0.301SS..Hα-helixtrans-67.5-38.2-178.500000113.3D149 F150 G155 L184D149-A153 WeakPolarHBondContact O-CB 3.26Å; D149-A153 PolarHBondContact O-N 3.39Å; F150-A153 PolarHBondContact O-N 3.02Å; A153-G155 VanDerWaalsContact C-N 3.35Å; A153-L184 HydrophobicContact CB-CD1 4.02Å
154V97.4Very high95.5Very high0 Ų056.6 Ų56.60%031%0.311CS..Hα-helixtrans-79.6-18.6176.6-54.70000112.8F150 K151 A156 I170 T177 R180 A181 L184F150-V154 HydrophobicContact CD2-CG1 4.12Å; F150-V154 HydrophobicContact CE1-CG1 4.19Å; F150-V154 HydrophobicContact CE2-CG1 3.75Å; F150-V154 HydrophobicContact CZ-CG1 3.79Å; F150-V154 WeakPolarHBondContact O-CG2 3.32Å; F150-V154 PolarHBondContact O-N 2.96Å; K151-V154 WeakPolarHBondContact O-CG2 3.42Å; V154-A156 HydrophobicContact CG2-CB 3.66Å; V154-I170 HydrophobicContact CG2-CG2 4.34Å; V154-T177 HydrophobicContact CB-CG2 4.04Å; V154-T177 HydrophobicContact CG2-CG2 3.91Å; V154-T177 PolarHBondContact O-OG1 3.17Å; V154-R180 HydrophobicContact CB-CB 4.24Å; V154-R180 HydrophobicContact CG1-CB 4.42Å; V154-A181 HydrophobicContact CG1-CB 4.23Å; V154-L184 HydrophobicContact CG1-CD1 4.17Å
155G95.8Very high95.9Very high21 Ų2157.5 Ų57.522%0.21632%0.318CS..THydrogen-bonded Turntrans81.131.2-178.300000113.8K151 K152 A153 S172 N174 T177K151-G155 PolarHBondContact O-N 3.4Å; K151-G155 VanDerWaalsContact O-N 3.1Å; K152-G155 PolarHBondContact O-N 2.91Å; A153-G155 VanDerWaalsContact C-N 3.35Å; G155-S172 PolarHBondContact O-OG 3.1Å; G155-S172 VanDerWaalsContact O-OG 3.11Å; G155-N174 PolarHBondContact O-ND2 3.07Å; G155-T177 PolarHBondContact O-OG1 2.69Å
156A96.7Very high96.1Very high13 Ų1358.7 Ų58.711%0.10730%0.304CS..  trans-92.4154.1178.400000111.7K151 V154 V159 I170 L171 T177K151-A156 HydrophobicContact CG-CB 4.3Å; K151-A156 WeakPolarHBondContact CG-O 3.25Å; K151-A156 PolarHBondContact O-N 3.32Å; V154-A156 HydrophobicContact CG2-CB 3.66Å; A156-V159 HydrophobicContact CB-CG2 4.11Å; A156-I170 HydrophobicContact CB-CG2 3.59Å; A156-L171 WeakPolarHBondContact CB-O 3.49Å; A156-T177 HydrophobicContact CB-CG2 4.14Å
157F95.8Very high96.4Very high27 Ų2759.5 Ų59.512%0.11830%0.304CS..SBendtrans-90.8-28171.866.6-98.3000112.2L4 V20 K151 L171 I173L4-F157 HydrophobicContact CB-CB 4.16Å; L4-F157 HydrophobicContact CB-CD1 4.36Å; L4-F157 HydrophobicContact CB-CD2 3.6Å; L4-F157 HydrophobicContact CB-CE2 3.99Å; L4-F157 HydrophobicContact CB-CG 3.8Å; L4-F157 HydrophobicContact CD2-CD1 3.55Å; L4-F157 HydrophobicContact CD2-CD2 4.13Å; L4-F157 HydrophobicContact CD2-CE1 3.48Å; L4-F157 VanDerWaalsContact CD2-CE1 3.48Å; L4-F157 HydrophobicContact CD2-CE2 4.08Å; L4-F157 HydrophobicContact CD2-CG 3.87Å; L4-F157 HydrophobicContact CD2-CZ 3.75Å; L4-F157 HydrophobicContact CG-CG 4.41Å; V20-F157 HydrophobicContact CB-CE2 4.04Å; V20-F157 HydrophobicContact CB-CZ 4.22Å; V20-F157 HydrophobicContact CG1-CE2 4.05Å; V20-F157 HydrophobicContact CG1-CZ 3.89Å; K151-F157 WeakPolarHBondContact CD-O 3.28Å; K151-F157 VanDerWaalsContact CE-O 3.22Å; K151-F157 WeakPolarHBondContact CE-O 3.44Å; K151-F157 PolarHBondContact NZ-O 3.08Å; F157-L171 VanDerWaalsContact CD1-O 3.29Å; F157-L171 WeakPolarHBondContact CD1-O 3.21Å; F157-L171 HydrophobicContact CD2-CB 4.34Å; F157-L171 VanDerWaalsContact CE1-C 3.47Å; F157-L171 HydrophobicContact CE1-CB 3.89Å; F157-L171 HydrophobicContact CE2-CB 3.64Å; F157-L171 HydrophobicContact CE2-CD1 4.13Å; F157-L171 HydrophobicContact CZ-CB 3.38Å; F157-L171 HydrophobicContact CZ-CD1 4.31Å; F157-L171 HydrophobicContact CZ-CG 4.48Å; F157-L171 PolarHBondContact N-O 3.38Å; F157-I173 HydrophobicContact CD1-CG2 4.24Å; F157-I173 HydrophobicContact CE1-CG2 4.06Å
158S95.9Very high96.4Very high21 Ų2159.3 Ų59.315%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-131.4142.5173.8-166.60000111.8I170 L171S158-I170 WeakPolarHBondContact O-CA 3.32Å; S158-L171 PolarHBondContact N-O 3.45Å; S158-L171 PolarHBondContact O-N 3.04Å
159V96.9Very high96.6Very high1 Ų152.7 Ų52.71%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-143.2107.6167.8179.80000107.6H147 F150 K151 A156 L168 V169 I170H147-V159 HydrophobicContact CB-CB 4.02Å; H147-V159 HydrophobicContact CB-CG1 3.7Å; F150-V159 HydrophobicContact CD1-CG1 4.24Å; K151-V159 HydrophobicContact CB-CB 4.18Å; K151-V159 HydrophobicContact CB-CG2 3.6Å; K151-V159 HydrophobicContact CD-CG2 4.34Å; K151-V159 HydrophobicContact CG-CG2 3.89Å; A156-V159 HydrophobicContact CB-CG2 4.11Å; V159-L168 HydrophobicContact CG1-CD1 4Å; V159-L168 HydrophobicContact CG1-CD2 3.75Å; V159-L168 HydrophobicContact CG1-CG 3.78Å; V159-V169 WeakPolarHBondContact CA-O 3.47Å; V159-I170 HydrophobicContact CG1-CG1 4.22Å; V159-I170 HydrophobicContact CG2-CB 4.49Å; V159-I170 HydrophobicContact CG2-CG1 4.16Å; V159-I170 HydrophobicContact CG2-CG2 4.15Å
160T96.6Very high96.7Very high51 Ų5146.5 Ų46.531%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-126.6159.9-176.652.10000110.7E144 L168 V169E144-T160 HydrophobicContact CG-CG2 4.32Å; T160-L168 CarbonylContact O-C 3.44Å; T160-L168 WeakPolarHBondContact O-CA 3.34Å; T160-L168 WeakPolarHBondContact O-CD1 3.3Å; T160-V169 PolarHBondContact N-O 3.25Å; T160-V169 PolarHBondContact O-N 3.34Å
161Y97.5Very high96.7Very high38 Ų3846 Ų4615%0.14924%0.241CC..EExtended strand (participates in β ladder)trans-101.4126.4174.6173.8-108.7000110.1V133 R138 C141 A142 P163 Q167V133-Y161 HydrophobicContact CB-CD2 4.38Å; V133-Y161 HydrophobicContact CB-CE2 3.92Å; V133-Y161 HydrophobicContact CG1-CE2 4.13Å; V133-Y161 HydrophobicContact CG2-CD2 3.91Å; V133-Y161 HydrophobicContact CG2-CE2 3.94Å; R138-Y161 WeakPolarHBondContact CB-OH 3.5Å; R138-Y161 HydrophobicContact CG-CE2 4.4Å; R138-Y161 VanDerWaalsContact CG-OH 3.3Å; R138-Y161 WeakPolarHBondContact CG-OH 3.43Å; C141-Y161 HydrophobicContact CB-CD2 3.81Å; C141-Y161 HydrophobicContact CB-CE2 4.47Å; C141-Y161 HydrophobicContact CB-CG 3.9Å; C141-Y161 WeakPolarHBondContact O-CB 3.5Å; A142-Y161 HydrophobicContact CB-CD1 4.14Å; Y161-P163 HydrophobicContact CD1-CB 4.48Å; Y161-P163 HydrophobicContact CE1-CB 3.94Å; Y161-P163 WeakPolarHBondContact O-CD 3.38Å; Y161-Q167 WeakPolarHBondContact CD2-O 3.49Å
162D96.4Very high96.7Very high31 Ų3144.3 Ų44.317%0.16623%0.233CC..EExtended strand (participates in β ladder)trans-90.8110.6172.3176.1-10000108.7E164 N165 Y166 Q167 V169D162-E164 VanDerWaalsContact C-N 3.34Å; D162-E164 WeakPolarHBondContact OD1-CB 3.39Å; D162-E164 PolarHBondContact OD1-N 2.88Å; D162-N165 PolarHBondContact OD1-N 3.05Å; D162-N165 VanDerWaalsContact OD1-N 3.12Å; D162-N165 WeakPolarHBondContact OD2-CB 3.3Å; D162-N165 PolarHBondContact OD2-ND2 3.41Å; D162-Y166 VanDerWaalsContact O-CA 3.32Å; D162-Y166 WeakPolarHBondContact O-CA 3.43Å; D162-Y166 PolarHBondContact O-N 3.04Å; D162-Y166 VanDerWaalsContact O-N 3.07Å; D162-Q167 PolarHBondContact N-O 3.38Å; D162-Q167 PolarHBondContact O-N 2.81Å; D162-Q167 VanDerWaalsContact O-N 3.14Å; D162-V169 HydrophobicContact CB-CG2 3.93Å
163P95.9Very high96.7Very high85 Ų8539.2 Ų39.255%0.55221%0.214SC*.THydrogen-bonded Turntrans-77.4-16.4-178.933.5-36000113.7Y161 Y166Y161-P163 HydrophobicContact CD1-CB 4.48Å; Y161-P163 HydrophobicContact CE1-CB 3.94Å; Y161-P163 WeakPolarHBondContact O-CD 3.38Å; P163-Y166 WeakPolarHBondContact O-CE1 3.47Å
164E95.9Very high96.7Very high164 Ų16440.1 Ų40.177%0.76621%0.211SC*.THydrogen-bonded Turntrans-81.8-45-178.8-59.5-174.3170.500110.6D162D162-E164 VanDerWaalsContact C-N 3.34Å; D162-E164 WeakPolarHBondContact OD1-CB 3.39Å; D162-E164 PolarHBondContact OD1-N 2.88Å
165N96.1Very high96.5Very high85 Ų8547.2 Ų47.246%0.45524%0.244SC..THydrogen-bonded Turntrans-94.3-2.7178.9-61.4-79.3000113.4D162 Q167D162-N165 PolarHBondContact OD1-N 3.05Å; D162-N165 VanDerWaalsContact OD1-N 3.12Å; D162-N165 WeakPolarHBondContact OD2-CB 3.3Å; D162-N165 PolarHBondContact OD2-ND2 3.41Å; N165-Q167 VanDerWaalsContact C-N 3.28Å; N165-Q167 HydrophobicContact CB-CB 4.42Å; N165-Q167 HydrophobicContact CB-CG 4.4Å; N165-Q167 PolarHBondContact O-N 3.01Å
166Y96.9Very high96.6Very high116 Ų11649.8 Ų49.846%0.45526%0.255SS..THydrogen-bonded Turntrans56.637.9-175.1-47.9-66.6000113.7V133 D162 P163V133-Y166 WeakPolarHBondContact CB-O 3.4Å; V133-Y166 PolarHBondContact N-O 2.71Å; D162-Y166 VanDerWaalsContact O-CA 3.32Å; D162-Y166 WeakPolarHBondContact O-CA 3.43Å; D162-Y166 PolarHBondContact O-N 3.04Å; D162-Y166 VanDerWaalsContact O-N 3.07Å; P163-Y166 WeakPolarHBondContact O-CE1 3.47Å
167Q97.8Very high96.6Very high35 Ų3549.1 Ų49.116%0.16425%0.25CS..EExtended strand (participates in β ladder)trans-120.2151.3-171-81.7174.6-1000112.5L131 D132 Y161 D162 N165L131-Q167 CarbonylContact O-C 3.59Å; L131-Q167 WeakPolarHBondContact O-CA 3.45Å; D132-Q167 WeakPolarHBondContact OD1-CG 3.35Å; D132-Q167 PolarHBondContact OD1-NE2 2.8Å; Y161-Q167 WeakPolarHBondContact CD2-O 3.49Å; D162-Q167 PolarHBondContact N-O 3.38Å; D162-Q167 PolarHBondContact O-N 2.81Å; D162-Q167 VanDerWaalsContact O-N 3.14Å; N165-Q167 VanDerWaalsContact C-N 3.28Å; N165-Q167 HydrophobicContact CB-CB 4.42Å; N165-Q167 HydrophobicContact CB-CG 4.4Å; N165-Q167 PolarHBondContact O-N 3.01Å
168L97.6Very high96.6Very high0 Ų050.1 Ų50.10%026%0.261CS..EExtended strand (participates in β ladder)trans-93115.1167.7-160.873.2000108.3L131 V133 H147 F150 V159 T160 I185L131-L168 PolarHBondContact N-O 3.2Å; L131-L168 PolarHBondContact O-N 3.14Å; V133-L168 HydrophobicContact CG2-CB 3.84Å; H147-L168 WeakPolarHBondContact CE1-CD1 3.34Å; F150-L168 HydrophobicContact CD1-CD2 4.4Å; F150-L168 HydrophobicContact CE1-CD2 4.02Å; V159-L168 HydrophobicContact CG1-CD1 4Å; V159-L168 HydrophobicContact CG1-CD2 3.75Å; V159-L168 HydrophobicContact CG1-CG 3.78Å; T160-L168 CarbonylContact O-C 3.44Å; T160-L168 WeakPolarHBondContact O-CA 3.34Å; T160-L168 WeakPolarHBondContact O-CD1 3.3Å; L168-I185 HydrophobicContact CD2-CD1 4.09Å
169V97.6Very high96.7Very high12 Ų1256.7 Ų56.77%0.07329%0.286CS..EExtended strand (participates in β ladder)trans-95.4123.4-179.5-177.20000108.8K128 V159 T160 D162 L171K128-V169 HydrophobicContact CD-CG1 4.48Å; K128-V169 HydrophobicContact CG-CG1 4.19Å; V159-V169 WeakPolarHBondContact CA-O 3.47Å; T160-V169 PolarHBondContact N-O 3.25Å; T160-V169 PolarHBondContact O-N 3.34Å; D162-V169 HydrophobicContact CB-CG2 3.93Å; V169-L171 HydrophobicContact CG1-CD2 3.96Å; V169-L171 HydrophobicContact CG1-CG 4.47Å
170I97.7Very high96.7Very high0 Ų062.1 Ų62.10%031%0.307CS..EExtended strand (participates in β ladder)trans-118.2122.1-177-56.9172.2000107.9K128 I129 L131 F150 V154 A156 S158 V159 T177 A181K128-I170 WeakPolarHBondContact CA-O 3.14Å; I129-I170 HydrophobicContact CB-CB 4.24Å; I129-I170 HydrophobicContact CD1-CG2 4.35Å; I129-I170 PolarHBondContact N-O 3.27Å; I129-I170 PolarHBondContact O-N 3.36Å; L131-I170 HydrophobicContact CD1-CD1 3.72Å; L131-I170 HydrophobicContact CG-CD1 4.38Å; F150-I170 HydrophobicContact CE1-CD1 3.8Å; F150-I170 HydrophobicContact CZ-CD1 4.27Å; V154-I170 HydrophobicContact CG2-CG2 4.34Å; A156-I170 HydrophobicContact CB-CG2 3.59Å; S158-I170 WeakPolarHBondContact O-CA 3.32Å; V159-I170 HydrophobicContact CG1-CG1 4.22Å; V159-I170 HydrophobicContact CG2-CB 4.49Å; V159-I170 HydrophobicContact CG2-CG1 4.16Å; V159-I170 HydrophobicContact CG2-CG2 4.15Å; I170-T177 HydrophobicContact CG2-CG2 3.96Å; I170-A181 HydrophobicContact CD1-CB 3.67Å
171L97.2Very high96.8Very high2 Ų259.7 Ų59.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-112.9129.8178-48.8178.8000110.4K21 V23 H127 K128 A156 F157 S158 V169K21-L171 WeakPolarHBondContact O-CD1 3.28Å; V23-L171 HydrophobicContact CB-CD2 4.23Å; V23-L171 HydrophobicContact CG2-CD2 4.1Å; H127-L171 WeakPolarHBondContact O-CA 3.43Å; K128-L171 HydrophobicContact CB-CD2 3.95Å; K128-L171 HydrophobicContact CD-CD2 3.95Å; K128-L171 HydrophobicContact CG-CD2 3.72Å; A156-L171 WeakPolarHBondContact CB-O 3.49Å; F157-L171 VanDerWaalsContact CD1-O 3.29Å; F157-L171 WeakPolarHBondContact CD1-O 3.21Å; F157-L171 HydrophobicContact CD2-CB 4.34Å; F157-L171 VanDerWaalsContact CE1-C 3.47Å; F157-L171 HydrophobicContact CE1-CB 3.89Å; F157-L171 HydrophobicContact CE2-CB 3.64Å; F157-L171 HydrophobicContact CE2-CD1 4.13Å; F157-L171 HydrophobicContact CZ-CB 3.38Å; F157-L171 HydrophobicContact CZ-CD1 4.31Å; F157-L171 HydrophobicContact CZ-CG 4.48Å; F157-L171 PolarHBondContact N-O 3.38Å; S158-L171 PolarHBondContact N-O 3.45Å; S158-L171 PolarHBondContact O-N 3.04Å; V169-L171 HydrophobicContact CG1-CD2 3.96Å; V169-L171 HydrophobicContact CG1-CG 4.47Å
172S97.1Very high96.8Very high0 Ų063.1 Ų63.10%031%0.309CS..EExtended strand (participates in β ladder)trans-144.9156.6-175.5-165.20000112.6H127 G155 N174 T177H127-S172 PolarHBondContact N-O 3.43Å; H127-S172 PolarHBondContact O-N 2.99Å; G155-S172 PolarHBondContact O-OG 3.1Å; G155-S172 VanDerWaalsContact O-OG 3.11Å; S172-N174 PolarHBondContact OG-N 3.09Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; S172-T177 WeakPolarHBondContact OG-CB 3.41Å; S172-T177 PolarHBondContact OG-OG1 2.86Å
173I96.4Very high96.8Very high68 Ų6869 Ų6935%0.34934%0.337SS..SBendtrans-103.59.4167.461.1172.2000111.9L4 F49 T125 F126 F157L4-I173 HydrophobicContact CD2-CG2 3.63Å; F49-I173 HydrophobicContact CE1-CG2 4.22Å; F49-I173 HydrophobicContact CZ-CB 4.49Å; F49-I173 HydrophobicContact CZ-CD1 4.48Å; F49-I173 HydrophobicContact CZ-CG2 3.89Å; T125-I173 WeakPolarHBondContact O-CA 3.31Å; F126-I173 HydrophobicContact CD1-CG2 3.87Å; F126-I173 HydrophobicContact CE1-CG2 3.94Å; F157-I173 HydrophobicContact CD1-CG2 4.24Å; F157-I173 HydrophobicContact CE1-CG2 4.06Å
174N95.4Very high96.9Very high73 Ų7367 Ų6739%0.3932%0.322SS..  trans-118117.3-175.9-63.6-59.4000110.4H127 G155 S172 V176 T177H127-N174 PolarHBondContact CD2-O 3.05Å; G155-N174 PolarHBondContact O-ND2 3.07Å; S172-N174 PolarHBondContact OG-N 3.09Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; N174-V176 HydrophobicContact CB-CG2 4.21Å; N174-V176 PolarHBondContact O-N 2.75Å; N174-T177 VanDerWaalsContact O-CB 3.26Å; N174-T177 WeakPolarHBondContact O-CB 3.48Å; N174-T177 PolarHBondContact O-N 2.9Å; N174-T177 PolarHBondContact O-OG1 2.85Å
175E94.2Very high97Very high149 Ų14960 Ų6070%0.69629%0.29SS*.THydrogen-bonded Turntrans-54.9-39.9179.8-166.2-158.9150.800112.2H127 T177 S178H127-E175 PolarHBondContact CD2-N 3.46Å; H127-E175 VanDerWaalsContact NE2-CA 3.34Å; H127-E175 WeakPolarHBondContact NE2-CA 3.4Å; H127-E175 PolarHBondContact NE2-N 3.25Å; E175-T177 PolarHBondContact O-N 3.11Å; E175-T177 VanDerWaalsContact O-N 3.09Å; E175-S178 PolarHBondContact O-N 2.93Å
176V96.4Very high97Very high74 Ų7460.5 Ų60.545%0.44829%0.292SS..THydrogen-bonded Turntrans-61.9-18.7179.7-61.40000114.2N174 S178 K179 R180N174-V176 HydrophobicContact CB-CG2 4.21Å; N174-V176 PolarHBondContact O-N 2.75Å; V176-S178 VanDerWaalsContact C-N 3.27Å; V176-S178 PolarHBondContact O-N 2.61Å; V176-K179 PolarHBondContact O-N 3.27Å; V176-R180 WeakPolarHBondContact O-CG 3.38Å; V176-R180 PolarHBondContact O-N 2.88Å; V176-R180 VanDerWaalsContact O-N 3.15Å
177T97.3Very high97Very high0 Ų060.9 Ų60.90%030%0.3CS..Hα-helixtrans-61.4-35.2-178.8-66.40000112I129 V154 G155 A156 I170 S172 N174 E175 K179 R180 A181I129-T177 HydrophobicContact CD1-CG2 4.21Å; V154-T177 HydrophobicContact CB-CG2 4.04Å; V154-T177 HydrophobicContact CG2-CG2 3.91Å; V154-T177 PolarHBondContact O-OG1 3.17Å; G155-T177 PolarHBondContact O-OG1 2.69Å; A156-T177 HydrophobicContact CB-CG2 4.14Å; I170-T177 HydrophobicContact CG2-CG2 3.96Å; S172-T177 WeakPolarHBondContact OG-CB 3.41Å; S172-T177 PolarHBondContact OG-OG1 2.86Å; N174-T177 VanDerWaalsContact O-CB 3.26Å; N174-T177 WeakPolarHBondContact O-CB 3.48Å; N174-T177 PolarHBondContact O-N 2.9Å; N174-T177 PolarHBondContact O-OG1 2.85Å; E175-T177 PolarHBondContact O-N 3.11Å; E175-T177 VanDerWaalsContact O-N 3.09Å; T177-K179 PolarHBondContact O-N 3.04Å; T177-R180 PolarHBondContact O-N 3.37Å; T177-A181 WeakPolarHBondContact O-CB 3.01Å; T177-A181 PolarHBondContact O-N 2.76Å
178S96.1Very high97Very high48 Ų4860 Ų6034%0.33630%0.296SS..Hα-helixtrans-60-48.7179.5179.30000112.1E175 V176 A181 H182E175-S178 PolarHBondContact O-N 2.93Å; V176-S178 VanDerWaalsContact C-N 3.27Å; V176-S178 PolarHBondContact O-N 2.61Å; S178-A181 PolarHBondContact O-N 3.21Å; S178-H182 PolarHBondContact O-N 2.94Å; S178-H182 PolarHBondContact O-ND1 3.29Å
179K97.1Very high97Very high158 Ų15860.6 Ų60.669%0.68730%0.298SS*.Hα-helixtrans-64.4-43.5176.9-67.1176.4-178.4168.10111.6V176 T177 A181 H182 M183V176-K179 PolarHBondContact O-N 3.27Å; T177-K179 PolarHBondContact O-N 3.04Å; K179-A181 PolarHBondContact O-N 2.87Å; K179-H182 PolarHBondContact O-N 3.26Å; K179-M183 WeakPolarHBondContact O-CG 3.31Å; K179-M183 PolarHBondContact O-N 3.48Å; K179-M183 VanDerWaalsContact O-N 3.11Å
180R98.1Very high96.9Very high116 Ų11667.5 Ų67.544%0.43832%0.323SS..Hα-helixtrans-62.3-39.9178.3-71.5178.2177.8171.60.3112.8V154 V176 T177 M183 L184V154-R180 HydrophobicContact CB-CB 4.24Å; V154-R180 HydrophobicContact CG1-CB 4.42Å; V176-R180 WeakPolarHBondContact O-CG 3.38Å; V176-R180 PolarHBondContact O-N 2.88Å; V176-R180 VanDerWaalsContact O-N 3.15Å; T177-R180 PolarHBondContact O-N 3.37Å; R180-M183 PolarHBondContact O-N 2.73Å; R180-L184 WeakPolarHBondContact O-CB 3.42Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.48Å
181A98Very high96.8Very high0 Ų071 Ų710%035%0.348CS..Hα-helixtrans-61.6-49.7179.700000111.3L131 V154 I170 T177 S178 K179 M183 L184 I185L131-A181 HydrophobicContact CD1-CB 4.14Å; V154-A181 HydrophobicContact CG1-CB 4.23Å; I170-A181 HydrophobicContact CD1-CB 3.67Å; T177-A181 WeakPolarHBondContact O-CB 3.01Å; T177-A181 PolarHBondContact O-N 2.76Å; S178-A181 PolarHBondContact O-N 3.21Å; K179-A181 PolarHBondContact O-N 2.87Å; A181-M183 VanDerWaalsContact C-N 3.33Å; A181-M183 PolarHBondContact O-N 3.03Å; A181-L184 PolarHBondContact O-N 3.21Å; A181-I185 WeakPolarHBondContact O-CB 3.26Å; A181-I185 PolarHBondContact O-N 2.96Å
182H97.5Very high96.7Very high109 Ų10971.1 Ų71.151%0.50535%0.348SS..Hα-helixtrans-62.7-35.6176.3-68.189.1000113.1S178 K179S178-H182 PolarHBondContact O-N 2.94Å; S178-H182 PolarHBondContact O-ND1 3.29Å; K179-H182 PolarHBondContact O-N 3.26Å
183M96.5Very high96.5Very high154 Ų15475.8 Ų75.876%0.75937%0.366SS*.Hα-helixtrans-70.2-28.1176.4-71.5177.870.300114K179 R180 A181K179-M183 WeakPolarHBondContact O-CG 3.31Å; K179-M183 PolarHBondContact O-N 3.48Å; K179-M183 VanDerWaalsContact O-N 3.11Å; R180-M183 PolarHBondContact O-N 2.73Å; A181-M183 VanDerWaalsContact C-N 3.33Å; A181-M183 PolarHBondContact O-N 3.03Å
184L97.8Very high96.4Very high45 Ų4576.7 Ų76.724%0.23638%0.375CS..Hα-helixtrans-107.8-14.4-170.7-64.7176.7000114.2F150 A153 V154 R180 A181 D186 M187 H188F150-L184 HydrophobicContact CD2-CB 4.32Å; F150-L184 HydrophobicContact CE2-CB 3.78Å; A153-L184 HydrophobicContact CB-CD1 4.02Å; V154-L184 HydrophobicContact CG1-CD1 4.17Å; R180-L184 WeakPolarHBondContact O-CB 3.42Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.48Å; A181-L184 PolarHBondContact O-N 3.21Å; L184-D186 PolarHBondContact O-N 2.83Å; L184-M187 HydrophobicContact CD2-CE 3.97Å; L184-M187 PolarHBondContact O-N 2.9Å; L184-H188 PolarHBondContact O-N 3.33Å
185I97.7Very high96.1Very high17 Ų1778.2 Ų78.29%0.08738%0.378CS..Hα-helixtrans-60.7-40.8-173.7-17062.6000113L131 F150 L168 A181 M187 H188 F189L131-I185 HydrophobicContact CD1-CB 3.93Å; L131-I185 HydrophobicContact CD1-CD1 3.81Å; L131-I185 HydrophobicContact CD1-CG1 3.79Å; L131-I185 HydrophobicContact CD1-CG2 4.48Å; F150-I185 HydrophobicContact CE1-CD1 4.32Å; F150-I185 HydrophobicContact CE2-CD1 4.48Å; F150-I185 HydrophobicContact CZ-CB 4.41Å; F150-I185 HydrophobicContact CZ-CD1 3.89Å; L168-I185 HydrophobicContact CD2-CD1 4.09Å; A181-I185 WeakPolarHBondContact O-CB 3.26Å; A181-I185 PolarHBondContact O-N 2.96Å; I185-M187 VanDerWaalsContact C-N 3.33Å; I185-M187 PolarHBondContact O-N 3.13Å; I185-H188 WeakPolarHBondContact O-CB 3.3Å; I185-H188 PolarHBondContact O-N 2.87Å; I185-F189 HydrophobicContact CD1-CD1 4.27Å; I185-F189 HydrophobicContact CD1-CD2 4.33Å; I185-F189 HydrophobicContact CD1-CE1 3.8Å; I185-F189 HydrophobicContact CD1-CE2 3.88Å; I185-F189 HydrophobicContact CD1-CZ 3.59Å; I185-F189 HydrophobicContact CG1-CD2 3.89Å; I185-F189 HydrophobicContact CG1-CE1 4.35Å; I185-F189 HydrophobicContact CG1-CE2 3.49Å; I185-F189 VanDerWaalsContact CG1-CE2 3.49Å; I185-F189 HydrophobicContact CG1-CG 4.48Å; I185-F189 HydrophobicContact CG1-CZ 3.75Å; I185-F189 PolarHBondContact O-N 2.84Å
186D96.8Very high95.8Very high94 Ų9473.1 Ų73.150%0.50336%0.355SS..Hα-helixtrans-59-43.4175.9-100.525.1000112.5L184 R190L184-D186 PolarHBondContact O-N 2.83Å; D186-R190 WeakPolarHBondContact O-CB 3.49Å; D186-R190 WeakPolarHBondContact O-CD 3.46Å; D186-R190 WeakPolarHBondContact O-CG 3.47Å; D186-R190 PolarHBondContact O-N 3.2Å; D186-R190 IonicContact OD2-NH2 3.58Å; D186-R190 PolarHBondContact OD2-NH2 3.22Å; D186-R190 VanDerWaalsContact OD2-NH2 3.15Å
187M97Very high95.4Very high125 Ų12572 Ų7262%0.61635%0.35SS*.Hα-helixtrans-67.8-39.7177.9-173.4-176.172.300110.7L184 I185 R190 S191L184-M187 HydrophobicContact CD2-CE 3.97Å; L184-M187 PolarHBondContact O-N 2.9Å; I185-M187 VanDerWaalsContact C-N 3.33Å; I185-M187 PolarHBondContact O-N 3.13Å; M187-R190 PolarHBondContact O-N 3.38Å; M187-S191 WeakPolarHBondContact O-CB 3.39Å; M187-S191 PolarHBondContact O-N 3.43Å
188H97.6Very high95.1Very high16 Ų1676.9 Ų76.97%0.07438%0.376CS..Hα-helixtrans-62.3-48.9175.2-178.456.8000111.9H147 F150 L184 I185 R190 S191 L192H147-H188 AromaticContact CE1-NE2 3.43Å; H147-H188 PolarHBondContact CE1-NE2 2.89Å; H147-H188 AromaticContact ND1-CE1 3.78Å; H147-H188 AromaticContact ND1-NE2 3.07Å; H147-H188 PolarHBondContact ND1-NE2 3.38Å; F150-H188 HydrophobicContact CD2-CB 3.59Å; F150-H188 AromaticContact CD2-CG 3.76Å; F150-H188 HydrophobicContact CE2-CB 3.92Å; F150-H188 HydrophobicContact CG-CB 4.15Å; F150-H188 AromaticContact CG-CG 3.78Å; F150-H188 AromaticContact CG-ND1 3.97Å; L184-H188 PolarHBondContact O-N 3.33Å; I185-H188 WeakPolarHBondContact O-CB 3.3Å; I185-H188 PolarHBondContact O-N 2.87Å; H188-R190 PolarHBondContact O-N 3.25Å; H188-S191 WeakPolarHBondContact O-CB 3.4Å; H188-S191 PolarHBondContact O-N 2.89Å; H188-L192 WeakPolarHBondContact NE2-CD1 3.43Å; H188-L192 PolarHBondContact O-N 2.87Å
189F97.5Very high94.6Very high13 Ų1378 Ų786%0.05738%0.377CS..Hα-helixtrans-63.3-39.1176.5-71.8-25.6000112.8D132 V133 P134 L137 I185 S191 L192 R193D132-F189 WeakPolarHBondContact O-CZ 3.3Å; V133-F189 HydrophobicContact CB-CZ 4.46Å; V133-F189 HydrophobicContact CG1-CE1 4.4Å; V133-F189 HydrophobicContact CG2-CE1 4.37Å; V133-F189 HydrophobicContact CG2-CZ 4.14Å; P134-F189 VanDerWaalsContact CD-CE2 3.45Å; P134-F189 HydrophobicContact CG-CD2 4.16Å; P134-F189 HydrophobicContact CG-CE2 4.12Å; L137-F189 HydrophobicContact CD1-CB 3.54Å; L137-F189 HydrophobicContact CD1-CD1 3.6Å; L137-F189 HydrophobicContact CD1-CE1 4.46Å; L137-F189 HydrophobicContact CD1-CG 3.71Å; I185-F189 HydrophobicContact CD1-CD1 4.27Å; I185-F189 HydrophobicContact CD1-CD2 4.33Å; I185-F189 HydrophobicContact CD1-CE1 3.8Å; I185-F189 HydrophobicContact CD1-CE2 3.88Å; I185-F189 HydrophobicContact CD1-CZ 3.59Å; I185-F189 HydrophobicContact CG1-CD2 3.89Å; I185-F189 HydrophobicContact CG1-CE1 4.35Å; I185-F189 HydrophobicContact CG1-CE2 3.49Å; I185-F189 VanDerWaalsContact CG1-CE2 3.49Å; I185-F189 HydrophobicContact CG1-CG 4.48Å; I185-F189 HydrophobicContact CG1-CZ 3.75Å; I185-F189 PolarHBondContact O-N 2.84Å; F189-S191 PolarHBondContact O-N 3.47Å; F189-L192 HydrophobicContact CD1-CD1 4.47Å; F189-L192 PolarHBondContact O-N 3.03Å; F189-R193 WeakPolarHBondContact O-CG 3.35Å; F189-R193 PolarHBondContact O-N 2.73Å
190R95.7Very high93.9Very high157 Ų15775.4 Ų75.459%0.59237%0.369SS*.Hα-helixtrans-60.7-43.6172.3-70.6168.4-159-174.29.6111.7D186 M187 H188 R193 T194D186-R190 WeakPolarHBondContact O-CB 3.49Å; D186-R190 WeakPolarHBondContact O-CD 3.46Å; D186-R190 WeakPolarHBondContact O-CG 3.47Å; D186-R190 PolarHBondContact O-N 3.2Å; D186-R190 IonicContact OD2-NH2 3.58Å; D186-R190 PolarHBondContact OD2-NH2 3.22Å; D186-R190 VanDerWaalsContact OD2-NH2 3.15Å; M187-R190 PolarHBondContact O-N 3.38Å; H188-R190 PolarHBondContact O-N 3.25Å; R190-R193 PolarHBondContact O-N 3.44Å; R190-T194 PolarHBondContact O-N 3.35Å; R190-T194 VanDerWaalsContact O-N 3.08Å; R190-T194 PolarHBondContact O-OG1 3.32Å; R190-T194 VanDerWaalsContact O-OG1 3.1Å
191S95.4Very high93.5Very high74 Ų7477.6 Ų77.652%0.51738%0.377SS..Hα-helixtrans-60-46.2174.4-1800000112.2M187 H188 F189 R193 T194 K195M187-S191 WeakPolarHBondContact O-CB 3.39Å; M187-S191 PolarHBondContact O-N 3.43Å; H188-S191 WeakPolarHBondContact O-CB 3.4Å; H188-S191 PolarHBondContact O-N 2.89Å; F189-S191 PolarHBondContact O-N 3.47Å; S191-R193 PolarHBondContact O-N 2.72Å; S191-T194 PolarHBondContact O-N 3.14Å; S191-K195 WeakPolarHBondContact O-CB 3.1Å; S191-K195 PolarHBondContact O-N 2.83Å
192L94.8Very high93Very high4 Ų482.8 Ų82.82%0.02141%0.405CS..Hα-helixtrans-61.7-41.2176.8-69.6-174.6000112.7L137 A146 H188 F189 K195 L196L137-L192 HydrophobicContact CD1-CB 4.46Å; L137-L192 HydrophobicContact CD2-CB 3.8Å; A146-L192 HydrophobicContact CB-CD2 4.03Å; H188-L192 WeakPolarHBondContact NE2-CD1 3.43Å; H188-L192 PolarHBondContact O-N 2.87Å; F189-L192 HydrophobicContact CD1-CD1 4.47Å; F189-L192 PolarHBondContact O-N 3.03Å; L192-K195 PolarHBondContact O-N 3.29Å; L192-L196 WeakPolarHBondContact O-CB 3.14Å; L192-L196 PolarHBondContact O-N 3.47Å
193R94.2Very high92.6Very high98 Ų9884 Ų8437%0.3741%0.411SS..Hα-helixtrans-60-46.9174.3-73-178.9173.4115.88111.8D136 L137 F189 R190 S191 K195 L196 S197D136-R193 IonicContact OD1-CZ 2.89Å; D136-R193 IonicContact OD1-NE 2.73Å; D136-R193 IonicContact OD1-NH2 3.47Å; D136-R193 PolarHBondContact OD1-NH2 2.98Å; D136-R193 IonicContact OD2-CZ 3.38Å; D136-R193 IonicContact OD2-NE 3.37Å; D136-R193 PolarHBondContact OD2-NE 3.03Å; D136-R193 IonicContact OD2-NH2 2.69Å; D136-R193 PolarHBondContact OD2-NH2 2.92Å; D136-R193 VanDerWaalsContact OD2-NH2 3.16Å; L137-R193 HydrophobicContact CD1-CG 4.11Å; L137-R193 HydrophobicContact CD2-CG 3.7Å; L137-R193 HydrophobicContact CG-CG 4.12Å; F189-R193 WeakPolarHBondContact O-CG 3.35Å; F189-R193 PolarHBondContact O-N 2.73Å; R190-R193 PolarHBondContact O-N 3.44Å; S191-R193 PolarHBondContact O-N 2.72Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.41Å; R193-L196 PolarHBondContact O-N 2.85Å; R193-S197 PolarHBondContact O-N 2.96Å
194T93.2Very high92.2Very high87 Ų8781.9 Ų81.953%0.53440%0.399SS..Hα-helixtrans-60.9-43.6176.7-55.10000111.3R190 S191 S197 L198R190-T194 PolarHBondContact O-N 3.35Å; R190-T194 VanDerWaalsContact O-N 3.08Å; R190-T194 PolarHBondContact O-OG1 3.32Å; R190-T194 VanDerWaalsContact O-OG1 3.1Å; S191-T194 PolarHBondContact O-N 3.14Å; T194-S197 PolarHBondContact O-N 3.25Å; T194-L198 HydrophobicContact CG2-CD1 4.34Å; T194-L198 WeakPolarHBondContact O-CG 3.18Å; T194-L198 PolarHBondContact O-N 3.38Å
195K89.8Confident91.6Very high105 Ų10582 Ų8246%0.45741%0.406SS..Hα-helixtrans-63.8-42.4177.6-171.5174.4-177.7175.90112.3M140 S191 L192 R193 L198 I199M140-K195 HydrophobicContact CE-CB 4.28Å; M140-K195 HydrophobicContact CE-CD 4.24Å; M140-K195 HydrophobicContact CE-CG 4.11Å; S191-K195 WeakPolarHBondContact O-CB 3.1Å; S191-K195 PolarHBondContact O-N 2.83Å; L192-K195 PolarHBondContact O-N 3.29Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.41Å; K195-L198 PolarHBondContact O-N 2.9Å; K195-I199 HydrophobicContact CG-CD1 4.05Å; K195-I199 VanDerWaalsContact O-CG1 3.29Å; K195-I199 WeakPolarHBondContact O-CG1 3.45Å; K195-I199 PolarHBondContact O-N 3.11Å
196L87.3Confident90.9Very high42 Ų4283.7 Ų83.722%0.2242%0.42CS..Hα-helixtrans-60.3-48.4176179.658.5000111.4M140 L192 R193 L198 I199 M200M140-L196 HydrophobicContact CE-CB 4.27Å; M140-L196 HydrophobicContact CG-CB 4.11Å; M140-L196 HydrophobicContact CG-CD1 3.88Å; M140-L196 HydrophobicContact CG-CD2 4.16Å; M140-L196 HydrophobicContact CG-CG 4.27Å; M140-L196 HydrophobicContact SD-CB 4.39Å; M140-L196 HydrophobicContact SD-CD1 3.94Å; L192-L196 WeakPolarHBondContact O-CB 3.14Å; L192-L196 PolarHBondContact O-N 3.47Å; R193-L196 PolarHBondContact O-N 2.85Å; L196-L198 VanDerWaalsContact C-N 3.3Å; L196-L198 PolarHBondContact O-N 3.3Å; L196-I199 PolarHBondContact O-N 3.47Å; L196-M200 PolarHBondContact O-N 3.14Å
197S88.6Confident90.4Very high50 Ų5086.7 Ų86.735%0.3543%0.428SS..Hα-helixtrans-60.6-37.3177.7-176.30000113R193 T194 R201R193-S197 PolarHBondContact O-N 2.96Å; T194-S197 PolarHBondContact O-N 3.25Å; S197-R201 WeakPolarHBondContact O-CG 3.45Å; S197-R201 PolarHBondContact O-N 3.41Å
198L90.2Very high89.6Confident102 Ų10287.2 Ų87.253%0.53443%0.429SS..Hα-helixtrans-69.4-39.4174.8-72.4172.7000112.8T194 K195 L196 N202T194-L198 HydrophobicContact CG2-CD1 4.34Å; T194-L198 WeakPolarHBondContact O-CG 3.18Å; T194-L198 PolarHBondContact O-N 3.38Å; K195-L198 PolarHBondContact O-N 2.9Å; L196-L198 VanDerWaalsContact C-N 3.3Å; L196-L198 PolarHBondContact O-N 3.3Å; L198-N202 WeakPolarHBondContact O-CB 3.2Å; L198-N202 PolarHBondContact O-N 3.18Å
199I85.9Confident88.5Confident72 Ų7291.9 Ų91.937%0.36945%0.454SS..Hα-helixtrans-60.8-49.9176.3-70.8163.9000110.1M140 K195 L196 R201 N202 E203M140-I199 HydrophobicContact CE-CD1 4.02Å; M140-I199 HydrophobicContact SD-CD1 4.38Å; K195-I199 HydrophobicContact CG-CD1 4.05Å; K195-I199 VanDerWaalsContact O-CG1 3.29Å; K195-I199 WeakPolarHBondContact O-CG1 3.45Å; K195-I199 PolarHBondContact O-N 3.11Å; L196-I199 PolarHBondContact O-N 3.47Å; I199-R201 PolarHBondContact O-N 3.07Å; I199-N202 PolarHBondContact O-N 3.33Å; I199-N202 VanDerWaalsContact O-N 3.14Å; I199-E203 WeakPolarHBondContact O-CB 3.22Å; I199-E203 PolarHBondContact O-N 3Å
200M83.5Confident87.5Confident103 Ų10396.9 Ų96.951%0.50748%0.478SS..Hα-helixtrans-58.8-47.2179.9-66.8-178.173.300112.4L196 N202 E203 E204L196-M200 PolarHBondContact O-N 3.14Å; M200-N202 VanDerWaalsContact C-N 3.3Å; M200-N202 PolarHBondContact O-N 2.87Å; M200-E203 PolarHBondContact O-N 2.96Å; M200-E204 WeakPolarHBondContact O-CG 2.98Å; M200-E204 PolarHBondContact O-N 3.4Å
201R88.3Confident86.4Confident163 Ų16392.3 Ų92.362%0.61547%0.47SS*.Hα-helixtrans-61.4-36.3176.4-74179.2-178.7165.53.3113.3S197 I199 A205S197-R201 WeakPolarHBondContact O-CG 3.45Å; S197-R201 PolarHBondContact O-N 3.41Å; I199-R201 PolarHBondContact O-N 3.07Å; R201-A205 WeakPolarHBondContact O-CB 3.45Å; R201-A205 PolarHBondContact O-N 3.43Å
202N88.1Confident84.9Confident109 Ų10992.5 Ų92.558%0.58347%0.471SS*.Hα-helixtrans-74.6-34.4179.8-161.921.8000111.4L198 I199 M200 S206L198-N202 WeakPolarHBondContact O-CB 3.2Å; L198-N202 PolarHBondContact O-N 3.18Å; I199-N202 PolarHBondContact O-N 3.33Å; I199-N202 VanDerWaalsContact O-N 3.14Å; M200-N202 VanDerWaalsContact C-N 3.3Å; M200-N202 PolarHBondContact O-N 2.87Å; N202-S206 VanDerWaalsContact O-CB 3.27Å; N202-S206 WeakPolarHBondContact O-CB 3.31Å; N202-S206 PolarHBondContact O-N 3.02Å; N202-S206 PolarHBondContact O-OG 3.25Å
203E89.5Confident83.4Confident133 Ų133101.1 Ų101.162%0.62150%0.503SS*.Hα-helixtrans-66.3-45172.6-172173.2178.100111.4I199 M200 S206 K207I199-E203 WeakPolarHBondContact O-CB 3.22Å; I199-E203 PolarHBondContact O-N 3Å; M200-E203 PolarHBondContact O-N 2.96Å; E203-S206 PolarHBondContact O-N 3.07Å; E203-K207 WeakPolarHBondContact O-CB 3.18Å; E203-K207 PolarHBondContact O-N 3.15Å
204E87.6Confident81.8Confident111 Ų111103.1 Ų103.152%0.51952%0.517SS..Hα-helixtrans-58-48.4172.1-74172.6179.900112.1M200 K207 Q208M200-E204 WeakPolarHBondContact O-CG 2.98Å; M200-E204 PolarHBondContact O-N 3.4Å; E204-K207 PolarHBondContact O-N 3.09Å; E204-Q208 WeakPolarHBondContact O-CG 3.13Å; E204-Q208 PolarHBondContact O-N 3.12Å
205A84.2Confident80.2Confident47 Ų47103.1 Ų103.139%0.38851%0.513SS..Hα-helixtrans-64.5-39.217800000112.5R201 Q208 L209R201-A205 WeakPolarHBondContact O-CB 3.45Å; R201-A205 PolarHBondContact O-N 3.43Å; A205-Q208 PolarHBondContact O-N 3.41Å; A205-L209 WeakPolarHBondContact O-CB 3.39Å; A205-L209 PolarHBondContact O-N 3.16Å
206S84.5Confident78.5Confident53 Ų5399.6 Ų99.637%0.37150%0.504SS..Hα-helixtrans-64.3-44.1176.3-59.70000111N202 E203 Q208 L209 E210N202-S206 VanDerWaalsContact O-CB 3.27Å; N202-S206 WeakPolarHBondContact O-CB 3.31Å; N202-S206 PolarHBondContact O-N 3.02Å; N202-S206 PolarHBondContact O-OG 3.25Å; E203-S206 PolarHBondContact O-N 3.07Å; S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 3.47Å; S206-L209 PolarHBondContact O-N 2.68Å; S206-L209 VanDerWaalsContact O-N 3.15Å; S206-E210 WeakPolarHBondContact O-CG 3.49Å; S206-E210 PolarHBondContact O-N 2.92Å
207K86.1Confident77.3Confident157 Ų157101.5 Ų101.568%0.68352%0.52SS*.Hα-helixtrans-64.4-35.8177.3-170.2173.3-176.1174.50112.8E203 E204 S211E203-K207 WeakPolarHBondContact O-CB 3.18Å; E203-K207 PolarHBondContact O-N 3.15Å; E204-K207 PolarHBondContact O-N 3.09Å; K207-S211 PolarHBondContact O-N 3.27Å; K207-S211 VanDerWaalsContact O-N 3.09Å; K207-S211 PolarHBondContact O-OG 2.91Å
208Q80.8Confident76.4Confident136 Ų136107.5 Ų107.564%0.63654%0.535SS*.Hα-helixtrans-68.2-38172.3-71.9173.215.500112.4E204 A205 S206 S211 S212E204-Q208 WeakPolarHBondContact O-CG 3.13Å; E204-Q208 PolarHBondContact O-N 3.12Å; A205-Q208 PolarHBondContact O-N 3.41Å; S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 3.47Å; Q208-S211 PolarHBondContact O-OG 3.38Å; Q208-S211 VanDerWaalsContact O-OG 3.07Å; Q208-S212 WeakPolarHBondContact O-CB 3.08Å; Q208-S212 PolarHBondContact O-N 3.34Å; Q208-S212 VanDerWaalsContact O-N 3.07Å
209L73.8Confident76.1Confident114 Ų114105.3 Ų105.360%0.59752%0.522SS*.Hα-helixtrans-70.2-39.4176.7-175.2141.3000111.7A205 S206 R213A205-L209 WeakPolarHBondContact O-CB 3.39Å; A205-L209 PolarHBondContact O-N 3.16Å; S206-L209 PolarHBondContact O-N 2.68Å; S206-L209 VanDerWaalsContact O-N 3.15Å; L209-R213 WeakPolarHBondContact O-CB 3.47Å; L209-R213 PolarHBondContact O-N 2.87Å
210E76.5Confident76.3Confident117 Ų117105.7 Ų105.755%0.54752%0.522SS..Hα-helixtrans-65.3-44175.1-75.2-179.417600112.4S206 R213 Q214S206-E210 WeakPolarHBondContact O-CG 3.49Å; S206-E210 PolarHBondContact O-N 2.92Å; E210-R213 PolarHBondContact O-N 3.35Å; E210-Q214 WeakPolarHBondContact O-CG 3.21Å; E210-Q214 PolarHBondContact O-N 3.3Å
211S71.3Confident76.6Confident61 Ų61102 Ų10243%0.42750%0.503SS..Hα-helixtrans-65.5-42.7177.364.80000112.1K207 Q208 R213 Q214 L215K207-S211 PolarHBondContact O-N 3.27Å; K207-S211 VanDerWaalsContact O-N 3.09Å; K207-S211 PolarHBondContact O-OG 2.91Å; Q208-S211 PolarHBondContact O-OG 3.38Å; Q208-S211 VanDerWaalsContact O-OG 3.07Å; S211-R213 VanDerWaalsContact C-N 3.34Å; S211-R213 PolarHBondContact O-N 2.98Å; S211-Q214 PolarHBondContact O-N 3.46Å; S211-L215 WeakPolarHBondContact O-CG 3.44Å; S211-L215 PolarHBondContact O-N 2.91Å
212S64.3Low76.9Confident78 Ų7899.7 Ų99.755%0.54550%0.499SS..Hα-helixtrans-61-41.5173.1178.60000112.1Q208 L215 A216Q208-S212 WeakPolarHBondContact O-CB 3.08Å; Q208-S212 PolarHBondContact O-N 3.34Å; Q208-S212 VanDerWaalsContact O-N 3.07Å; S212-L215 PolarHBondContact O-N 3.07Å; S212-A216 WeakPolarHBondContact O-CB 3.18Å; S212-A216 PolarHBondContact O-N 3.35Å; S212-A216 VanDerWaalsContact O-N 3.14Å
213R64Low77.3Confident186 Ų18695 Ų9570%0.70247%0.474SS*.Hα-helixtrans-67.8-35179-174.5174.1-177.9159.72.3113.3L209 E210 S211L209-R213 WeakPolarHBondContact O-CB 3.47Å; L209-R213 PolarHBondContact O-N 2.87Å; E210-R213 PolarHBondContact O-N 3.35Å; S211-R213 VanDerWaalsContact C-N 3.34Å; S211-R213 PolarHBondContact O-N 2.98Å
214Q61.2Low77.5Confident140 Ų14094.5 Ų94.565%0.65447%0.474SS*.Hα-helixtrans-72.4-32.9176.6-72.9177.513.700112.7E210 S211E210-Q214 WeakPolarHBondContact O-CG 3.21Å; E210-Q214 PolarHBondContact O-N 3.3Å; S211-Q214 PolarHBondContact O-N 3.46Å
215L58.1Low77.9Confident86 Ų8689.2 Ų89.245%0.4545%0.45SS..Hα-helixtrans-67.1-43.6173.7-70.6166.3000111.4S211 S212 S217 R218S211-L215 WeakPolarHBondContact O-CG 3.44Å; S211-L215 PolarHBondContact O-N 2.91Å; S212-L215 PolarHBondContact O-N 3.07Å; L215-S217 PolarHBondContact O-N 3.42Å; L215-S217 VanDerWaalsContact O-N 3.11Å; L215-R218 PolarHBondContact O-N 3.14Å
216A55.2Low78.4Confident31 Ų3193.5 Ų93.526%0.25646%0.456SS..THydrogen-bonded Turntrans-59.2-22-177.900000115.9S212 T251S212-A216 WeakPolarHBondContact O-CB 3.18Å; S212-A216 PolarHBondContact O-N 3.35Å; S212-A216 VanDerWaalsContact O-N 3.14Å; A216-T251 HydrophobicContact CB-CG2 3.78Å
217S61.3Low78.8Confident82 Ų8299 Ų9957%0.57348%0.475SS*.THydrogen-bonded Turntrans-121.417.1-17274.60000114.1L215L215-S217 PolarHBondContact O-N 3.42Å; L215-S217 VanDerWaalsContact O-N 3.11Å
218R70Confident79.1Confident176 Ų17695.9 Ų95.966%0.66447%0.467SS*.SBendtrans-74.4-37.9-170.3-163.6175.8-169.5-173.64.1113.4L215L215-R218 PolarHBondContact O-N 3.14Å
219F83.9Confident79.8Confident56 Ų5689.5 Ų89.525%0.24644%0.437CS..EExtended strand (participates in β ladder)trans-125.3135.1176.6-60.6-79.6000110.8Y265 G266 E267 D268 Q269 V272F219-Y265 WeakPolarHBondContact O-CA 3.47Å; F219-G266 PolarHBondContact N-O 3.43Å; F219-G266 PolarHBondContact O-N 3.47Å; F219-E267 WeakPolarHBondContact CD2-O 3.33Å; F219-E267 WeakPolarHBondContact CE2-O 3.27Å; F219-D268 VanDerWaalsContact CD2-C 3.47Å; F219-Q269 HydrophobicContact CD1-CB 3.89Å; F219-Q269 HydrophobicContact CE1-CB 3.99Å; F219-Q269 HydrophobicContact CG-CB 4.26Å; F219-Q269 HydrophobicContact CZ-CB 4.44Å; F219-V272 HydrophobicContact CB-CG2 4.01Å
220H89.3Confident80.7Confident80 Ų8085.2 Ų85.237%0.3741%0.414SS..EExtended strand (participates in β ladder)trans-133.7131177.7175.4-120.1000108.8H263 I264 Y265H220-H263 AromaticContact CE1-ND1 3.79Å; H220-H263 AromaticContact NE2-CG 3.81Å; H220-H263 AromaticContact NE2-ND1 3.44Å; H220-H263 PolarHBondContact NE2-ND1 3.43Å; H220-I264 VanDerWaalsContact CA-O 3.31Å; H220-I264 WeakPolarHBondContact CA-O 3.37Å; H220-I264 PolarHBondContact CD2-O 3.04Å; H220-Y265 HydrophobicContact CB-CD1 4.21Å; H220-Y265 HydrophobicContact CB-CE1 4.28Å; H220-Y265 AromaticContact CD2-CD1 3.57Å; H220-Y265 AromaticContact CD2-CE1 3.18Å; H220-Y265 WeakPolarHBondContact CD2-CE1 3.38Å; H220-Y265 AromaticContact CD2-CZ 3.51Å; H220-Y265 AromaticContact CG-CE1 3.85Å; H220-Y265 AromaticContact NE2-CE1 3.72Å; H220-Y265 AromaticContact NE2-CZ 3.63Å
221E91.1Very high81.4Confident26 Ų2682.4 Ų82.412%0.12142%0.416CS..EExtended strand (participates in β ladder)trans-125.8149.3163.4-71.5-168.2-157.500110.1I264 Q269 V272 K273 R276E221-I264 PolarHBondContact N-O 3.31Å; E221-I264 PolarHBondContact O-N 3.36Å; E221-Q269 PolarHBondContact OE1-NE2 3.43Å; E221-V272 HydrophobicContact CB-CG1 3.53Å; E221-V272 HydrophobicContact CG-CG1 3.57Å; E221-K273 WeakPolarHBondContact OE1-CG 3.2Å; E221-R276 WeakPolarHBondContact OE2-CD 3.34Å; E221-R276 IonicContact OE2-CZ 2.82Å; E221-R276 IonicContact OE2-NE 3.91Å; E221-R276 IonicContact OE2-NH1 2.79Å; E221-R276 PolarHBondContact OE2-NH1 3.05Å
222Q94Very high82.5Confident114 Ų11482.3 Ų82.353%0.53341%0.411SS..EExtended strand (participates in β ladder)trans-134146173.969.7-175.523.600111T261 F262 H263Q222-T261 HydrophobicContact CB-CG2 4.42Å; Q222-F262 WeakPolarHBondContact CA-O 3.32Å; Q222-H263 WeakPolarHBondContact CB-ND1 3.27Å; Q222-H263 PolarHBondContact OE1-CE1 3.33Å; Q222-H263 VanDerWaalsContact OE1-CE1 3.25Å; Q222-H263 PolarHBondContact OE1-ND1 3.23Å
223F95.8Very high83.9Confident10 Ų1078.6 Ų78.64%0.04439%0.385CS..EExtended strand (participates in β ladder)trans-154.7153176.158.6-82.8000109.9V225 F262 I264 R276 L279 E280F223-V225 HydrophobicContact CD2-CG2 3.88Å; F223-V225 HydrophobicContact CE2-CG2 3.72Å; F223-F262 HydrophobicContact CD1-CB 4.33Å; F223-F262 HydrophobicContact CD2-CB 4.39Å; F223-F262 HydrophobicContact CD2-CD2 4.38Å; F223-F262 HydrophobicContact CE1-CB 3.72Å; F223-F262 HydrophobicContact CE2-CB 3.79Å; F223-F262 AromaticContact CE2-CD2 3.61Å; F223-F262 HydrophobicContact CE2-CD2 3.61Å; F223-F262 HydrophobicContact CE2-CE2 4.46Å; F223-F262 AromaticContact CE2-CG 3.9Å; F223-F262 HydrophobicContact CE2-CG 3.9Å; F223-F262 HydrophobicContact CZ-CB 3.4Å; F223-F262 AromaticContact CZ-CD2 3.95Å; F223-F262 HydrophobicContact CZ-CD2 3.95Å; F223-F262 AromaticContact CZ-CG 3.74Å; F223-F262 HydrophobicContact CZ-CG 3.74Å; F223-F262 PolarHBondContact N-O 2.85Å; F223-F262 PolarHBondContact O-N 3.15Å; F223-I264 HydrophobicContact CE1-CD1 3.74Å; F223-I264 HydrophobicContact CE1-CG1 4.21Å; F223-I264 HydrophobicContact CZ-CD1 4.25Å; F223-R276 HydrophobicContact CD1-CB 4.42Å; F223-R276 HydrophobicContact CD1-CG 3.73Å; F223-R276 HydrophobicContact CE1-CB 3.99Å; F223-R276 HydrophobicContact CE1-CG 3.71Å; F223-R276 HydrophobicContact CG-CG 4.42Å; F223-R276 HydrophobicContact CZ-CG 4.36Å; F223-L279 HydrophobicContact CE2-CB 4.05Å; F223-L279 HydrophobicContact CZ-CB 3.65Å; F223-E280 HydrophobicContact CB-CG 4.46Å; F223-E280 HydrophobicContact CD2-CB 3.83Å; F223-E280 HydrophobicContact CD2-CG 3.74Å; F223-E280 HydrophobicContact CE2-CB 3.87Å; F223-E280 HydrophobicContact CE2-CG 4.3Å; F223-E280 HydrophobicContact CG-CB 4.38Å; F223-E280 HydrophobicContact CG-CG 4.16Å; F223-E280 HydrophobicContact CZ-CB 4.47Å
224I95.1Very high85.3Confident123 Ų12372.3 Ų72.363%0.63137%0.365SS*.EExtended strand (participates in β ladder)trans-100.3135.7177.4-62.7158.9000107.8T261I224-T261 HydrophobicContact CG1-CG2 4.45Å
225V96.2Very high86.7Confident1 Ų166.2 Ų66.21%0.00634%0.339CS..  trans-106.9143.5168.8177.70000107.6F223 L229 M230 A233 C260 F262 L279 F281F223-V225 HydrophobicContact CD2-CG2 3.88Å; F223-V225 HydrophobicContact CE2-CG2 3.72Å; V225-L229 HydrophobicContact CG1-CB 3.98Å; V225-M230 HydrophobicContact CB-CE 3.96Å; V225-M230 HydrophobicContact CG1-CE 4.41Å; V225-A233 HydrophobicContact CG1-CB 3.97Å; V225-A233 HydrophobicContact CG2-CB 4.24Å; V225-C260 PolarHBondContact N-O 3.38Å; V225-C260 WeakPolarHBondContact O-CB 3.21Å; V225-F262 HydrophobicContact CB-CE2 4.22Å; V225-F262 HydrophobicContact CG2-CD2 3.81Å; V225-F262 HydrophobicContact CG2-CE2 3.73Å; V225-L279 WeakPolarHBondContact CG2-O 3.33Å; V225-F281 HydrophobicContact CG1-CB 4.37Å
226R94.2Very high88.3Confident137 Ų13767.7 Ų67.752%0.51735%0.352SS..  trans-67.4144.4175.5-63.4170.948120.2-6.4110.7D228 L229 M230R226-D228 VanDerWaalsContact C-N 3.27Å; R226-D228 WeakPolarHBondContact CB-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 2.65Å; R226-D228 IonicContact CZ-OD2 3.06Å; R226-D228 IonicContact NE-OD1 3.73Å; R226-D228 PolarHBondContact NE-OD1 3.05Å; R226-D228 IonicContact NE-OD2 3.22Å; R226-D228 IonicContact NH2-OD1 3.65Å; R226-D228 PolarHBondContact NH2-OD1 3.17Å; R226-D228 IonicContact NH2-OD2 2.85Å; R226-D228 PolarHBondContact NH2-OD2 3.46Å; R226-D228 PolarHBondContact O-N 2.93Å; R226-L229 HydrophobicContact CB-CD1 4.3Å; R226-L229 HydrophobicContact CB-CG 4.26Å; R226-L229 CarbonylContact O-C 3.58Å; R226-L229 WeakPolarHBondContact O-CA 3.44Å; R226-L229 PolarHBondContact O-N 3.45Å; R226-M230 PolarHBondContact O-N 2.97Å; R226-M230 VanDerWaalsContact O-N 3.09Å
227E92.3Very high90Very high167 Ų16775.1 Ų75.178%0.7838%0.381SS*.Hα-helixtrans-53.1-43.1-179.7-169.4-174.9173.100112.4L229 M230E227-L229 PolarHBondContact O-N 3Å; E227-L229 VanDerWaalsContact O-N 3.15Å; E227-M230 WeakPolarHBondContact O-CB 3.46Å; E227-M230 PolarHBondContact O-N 3.1Å; E227-M230 VanDerWaalsContact O-N 3.13Å
228D93.4Very high91.5Very high93 Ų9371.7 Ų71.750%0.49736%0.358SS..Hα-helixtrans-66.8-1317863.2-28.9000114.6R226R226-D228 VanDerWaalsContact C-N 3.27Å; R226-D228 WeakPolarHBondContact CB-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 2.65Å; R226-D228 IonicContact CZ-OD2 3.06Å; R226-D228 IonicContact NE-OD1 3.73Å; R226-D228 PolarHBondContact NE-OD1 3.05Å; R226-D228 IonicContact NE-OD2 3.22Å; R226-D228 IonicContact NH2-OD1 3.65Å; R226-D228 PolarHBondContact NH2-OD1 3.17Å; R226-D228 IonicContact NH2-OD2 2.85Å; R226-D228 PolarHBondContact NH2-OD2 3.46Å; R226-D228 PolarHBondContact O-N 2.93Å
229L94.4Very high92.6Very high1 Ų165 Ų651%0.00534%0.341CS..Hα-helixtrans-109.4-6.5176.9-55.2-179000113V225 R226 E227 G231 L232 A233 F281 E283 V404V225-L229 HydrophobicContact CG1-CB 3.98Å; R226-L229 HydrophobicContact CB-CD1 4.3Å; R226-L229 HydrophobicContact CB-CG 4.26Å; R226-L229 CarbonylContact O-C 3.58Å; R226-L229 WeakPolarHBondContact O-CA 3.44Å; R226-L229 PolarHBondContact O-N 3.45Å; E227-L229 PolarHBondContact O-N 3Å; E227-L229 VanDerWaalsContact O-N 3.15Å; L229-G231 VanDerWaalsContact C-N 3.29Å; L229-G231 PolarHBondContact O-N 3.08Å; L229-L232 HydrophobicContact CD2-CD1 4.18Å; L229-L232 WeakPolarHBondContact O-CA 3.34Å; L229-L232 WeakPolarHBondContact O-CB 3.33Å; L229-L232 PolarHBondContact O-N 3.49Å; L229-A233 PolarHBondContact O-N 3.37Å; L229-A233 VanDerWaalsContact O-N 3.1Å; L229-F281 HydrophobicContact CB-CB 4.25Å; L229-E283 HydrophobicContact CD1-CB 4.31Å; L229-V404 HydrophobicContact CD2-CG1 3.62Å
230M93Very high93.1Very high24 Ų2464.4 Ų64.412%0.11834%0.34CS..Hα-helixtrans-60-37.7-174.9-172.156.569.700112.6V225 R226 E227 L232 A233 I234 L255 C260 F262V225-M230 HydrophobicContact CB-CE 3.96Å; V225-M230 HydrophobicContact CG1-CE 4.41Å; R226-M230 PolarHBondContact O-N 2.97Å; R226-M230 VanDerWaalsContact O-N 3.09Å; E227-M230 WeakPolarHBondContact O-CB 3.46Å; E227-M230 PolarHBondContact O-N 3.1Å; E227-M230 VanDerWaalsContact O-N 3.13Å; M230-L232 PolarHBondContact O-N 3.18Å; M230-A233 PolarHBondContact O-N 3.04Å; M230-A233 HydrophobicContact SD-CB 4.48Å; M230-I234 HydrophobicContact CG-CD1 3.86Å; M230-I234 HydrophobicContact CG-CG1 4.38Å; M230-I234 WeakPolarHBondContact O-CG1 3.47Å; M230-I234 PolarHBondContact O-N 3.29Å; M230-I234 HydrophobicContact SD-CD1 4.11Å; M230-I234 HydrophobicContact SD-CG1 4.15Å; M230-L255 HydrophobicContact CE-CD1 4.07Å; M230-L255 HydrophobicContact SD-CD1 4.17Å; M230-L255 HydrophobicContact SD-CD2 4.17Å; M230-C260 HydrophobicContact CE-CB 3.42Å; M230-C260 VanDerWaalsContact CE-CB 3.42Å; M230-F262 HydrophobicContact CE-CE2 3.98Å; M230-F262 HydrophobicContact SD-CE2 3.64Å; M230-F262 HydrophobicContact SD-CZ 3.76Å
231G92.4Very high93.3Very high58 Ų5861.6 Ų61.660%0.59833%0.328SS*.Hα-helixtrans-62.9-26.3174.500000114.2L229 G235L229-G231 VanDerWaalsContact C-N 3.29Å; L229-G231 PolarHBondContact O-N 3.08Å; G231-G235 WeakPolarHBondContact O-CA 3.37Å; G231-G235 PolarHBondContact O-N 3.46Å; G231-G235 VanDerWaalsContact O-N 3.09Å
232L93.2Very high93.5Very high60 Ų6065 Ų6531%0.31434%0.344SS..Hα-helixtrans-80.1-41172.9-60.5173.9000111.2L229 M230 G235 N240 F281 V404L229-L232 HydrophobicContact CD2-CD1 4.18Å; L229-L232 WeakPolarHBondContact O-CA 3.34Å; L229-L232 WeakPolarHBondContact O-CB 3.33Å; L229-L232 PolarHBondContact O-N 3.49Å; M230-L232 PolarHBondContact O-N 3.18Å; L232-G235 PolarHBondContact O-N 3.38Å; L232-N240 PolarHBondContact O-ND2 2.9Å; L232-F281 HydrophobicContact CB-CD1 3.74Å; L232-F281 HydrophobicContact CB-CD2 4.48Å; L232-F281 HydrophobicContact CB-CE1 3.84Å; L232-F281 HydrophobicContact CB-CG 4.08Å; L232-F281 HydrophobicContact CB-CZ 4.25Å; L232-F281 HydrophobicContact CD1-CD1 4.28Å; L232-F281 WeakPolarHBondContact O-CE2 3.27Å; L232-V404 HydrophobicContact CD1-CG1 4.13Å
233A93.5Very high93.5Very high0 Ų064.1 Ų64.10%034%0.34CS..Hα-helixtrans-64-43.6177.200000113.1V225 L229 M230 N240 F262 L279 F281V225-A233 HydrophobicContact CG1-CB 3.97Å; V225-A233 HydrophobicContact CG2-CB 4.24Å; L229-A233 PolarHBondContact O-N 3.37Å; L229-A233 VanDerWaalsContact O-N 3.1Å; M230-A233 PolarHBondContact O-N 3.04Å; M230-A233 HydrophobicContact SD-CB 4.48Å; A233-N240 VanDerWaalsContact O-CB 3.25Å; A233-N240 WeakPolarHBondContact O-CB 3.29Å; A233-F262 HydrophobicContact CB-CE2 4.09Å; A233-F262 HydrophobicContact CB-CZ 4.15Å; A233-L279 VanDerWaalsContact CB-O 3.26Å; A233-L279 WeakPolarHBondContact CB-O 3.37Å; A233-L279 WeakPolarHBondContact O-CD2 3.44Å; A233-F281 VanDerWaalsContact CA-CD2 3.44Å; A233-F281 HydrophobicContact CB-CD2 3.88Å
234I93.2Very high93.5Very high54 Ų5463.7 Ų63.728%0.27734%0.338SS..Hα-helixtrans-69.2-40172.4-65172.7000110.1M230 G238 A239 N240 I241 L255 F262M230-I234 HydrophobicContact CG-CD1 3.86Å; M230-I234 HydrophobicContact CG-CG1 4.38Å; M230-I234 WeakPolarHBondContact O-CG1 3.47Å; M230-I234 PolarHBondContact O-N 3.29Å; M230-I234 HydrophobicContact SD-CD1 4.11Å; M230-I234 HydrophobicContact SD-CG1 4.15Å; I234-G238 CarbonylContact O-C 3.52Å; I234-G238 VanDerWaalsContact O-CA 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.44Å; I234-A239 PolarHBondContact O-N 3.15Å; I234-N240 PolarHBondContact O-N 3.46Å; I234-N240 VanDerWaalsContact O-N 3.09Å; I234-I241 HydrophobicContact CG2-CG2 4.21Å; I234-I241 PolarHBondContact O-N 3.19Å; I234-L255 HydrophobicContact CD1-CD2 3.96Å; I234-L255 HydrophobicContact CG1-CD2 4.32Å; I234-F262 HydrophobicContact CG1-CZ 4.48Å
235G91.5Very high93.5Very high11 Ų1163.6 Ų63.611%0.11333%0.33CS..  trans77.8164.6-17500000112.6G231 L232 H237 G238G231-G235 WeakPolarHBondContact O-CA 3.37Å; G231-G235 PolarHBondContact O-N 3.46Å; G231-G235 VanDerWaalsContact O-N 3.09Å; L232-G235 PolarHBondContact O-N 3.38Å; G235-H237 PolarHBondContact O-N 3.21Å; G235-G238 PolarHBondContact O-N 3.37Å
236T91.9Very high93.5Very high118 Ų11870.7 Ų70.772%0.72436%0.36SS*.G310 helixtrans-58.5126178.653.30000110.5G238 A239T236-G238 PolarHBondContact O-N 3.17Å; T236-G238 VanDerWaalsContact O-N 3.14Å; T236-A239 WeakPolarHBondContact O-CB 3.4Å; T236-A239 PolarHBondContact O-N 2.93Å; T236-A239 VanDerWaalsContact O-N 3.12Å
237H90.4Very high93.5Very high186 Ų18664.7 Ų64.786%0.86134%0.339SS*.G310 helixtrans54.624.6-173.6-52.588.6000115.1G235 Q242G235-H237 PolarHBondContact O-N 3.21Å; H237-Q242 PolarHBondContact O-NE2 2.95Å
238G92Very high93.4Very high10 Ų1062 Ų6210%0.10334%0.336CS..G310 helixtrans76.720-178.200000114.4I234 G235 T236 N240 I241 Q242I234-G238 CarbonylContact O-C 3.52Å; I234-G238 VanDerWaalsContact O-CA 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.44Å; G235-G238 PolarHBondContact O-N 3.37Å; T236-G238 PolarHBondContact O-N 3.17Å; T236-G238 VanDerWaalsContact O-N 3.14Å; G238-N240 VanDerWaalsContact C-N 3.32Å; G238-N240 PolarHBondContact O-N 2.98Å; G238-I241 VanDerWaalsContact O-CG2 3.27Å; G238-I241 WeakPolarHBondContact O-CG2 3.49Å; G238-I241 PolarHBondContact O-N 3.18Å; G238-Q242 VanDerWaalsContact O-CB 3.29Å; G238-Q242 WeakPolarHBondContact O-CB 3.19Å; G238-Q242 WeakPolarHBondContact O-CG 3.46Å; G238-Q242 PolarHBondContact O-N 3.33Å
239A94.6Very high93.2Very high37 Ų3758.4 Ų58.431%0.30632%0.321SS..Hα-helixtrans-56.3-42-176.400000113.5I234 T236 Q243I234-A239 PolarHBondContact O-N 3.15Å; T236-A239 WeakPolarHBondContact O-CB 3.4Å; T236-A239 PolarHBondContact O-N 2.93Å; T236-A239 VanDerWaalsContact O-N 3.12Å; A239-Q243 WeakPolarHBondContact O-CG 3.36Å; A239-Q243 PolarHBondContact O-N 3.21Å
240N93.9Very high93.1Very high42 Ų4259.5 Ų59.523%0.22533%0.327CS..Hα-helixtrans-74.6-46.2-176.2-68.7-5.6000111L232 A233 I234 G238 Q242 Q243 A244 L279L232-N240 PolarHBondContact O-ND2 2.9Å; A233-N240 VanDerWaalsContact O-CB 3.25Å; A233-N240 WeakPolarHBondContact O-CB 3.29Å; I234-N240 PolarHBondContact O-N 3.46Å; I234-N240 VanDerWaalsContact O-N 3.09Å; G238-N240 VanDerWaalsContact C-N 3.32Å; G238-N240 PolarHBondContact O-N 2.98Å; N240-Q242 VanDerWaalsContact C-N 3.29Å; N240-Q242 PolarHBondContact O-N 3.11Å; N240-Q243 PolarHBondContact O-N 3.07Å; N240-Q243 VanDerWaalsContact O-N 3.08Å; N240-A244 PolarHBondContact O-N 2.85Å; N240-L279 HydrophobicContact CB-CD2 4.25Å
241I94Very high92.9Very high22 Ų2261.6 Ų61.611%0.11334%0.341CS..Hα-helixtrans-63.1-33.3174.2-166.6175.7000112.4I234 G238 R245 I253 F262 L279I234-I241 HydrophobicContact CG2-CG2 4.21Å; I234-I241 PolarHBondContact O-N 3.19Å; G238-I241 VanDerWaalsContact O-CG2 3.27Å; G238-I241 WeakPolarHBondContact O-CG2 3.49Å; G238-I241 PolarHBondContact O-N 3.18Å; I241-R245 VanDerWaalsContact O-CG 3.31Å; I241-R245 WeakPolarHBondContact O-CG 3.38Å; I241-R245 PolarHBondContact O-N 2.98Å; I241-I253 HydrophobicContact CD1-CG2 4.45Å; I241-I253 HydrophobicContact CG1-CG2 4.43Å; I241-F262 HydrophobicContact CD1-CE1 4.11Å; I241-L279 HydrophobicContact CB-CD2 4.2Å
242Q94.7Very high92.8Very high96 Ų9660.3 Ų60.345%0.44933%0.325SS..Hα-helixtrans-70.4-32.8172-73.6178.63300113.3H237 G238 N240 K246H237-Q242 PolarHBondContact O-NE2 2.95Å; G238-Q242 VanDerWaalsContact O-CB 3.29Å; G238-Q242 WeakPolarHBondContact O-CB 3.19Å; G238-Q242 WeakPolarHBondContact O-CG 3.46Å; G238-Q242 PolarHBondContact O-N 3.33Å; N240-Q242 VanDerWaalsContact C-N 3.29Å; N240-Q242 PolarHBondContact O-N 3.11Å; Q242-K246 WeakPolarHBondContact O-CD 3.18Å; Q242-K246 WeakPolarHBondContact O-CG 3.34Å; Q242-K246 PolarHBondContact O-N 3.39Å
243Q94.6Very high92.8Very high97 Ų9757.5 Ų57.545%0.45331%0.31SS..Hα-helixtrans-68.7-44.3172.8-76.8179.312.200111.1A239 N240 R245 K246 V247A239-Q243 WeakPolarHBondContact O-CG 3.36Å; A239-Q243 PolarHBondContact O-N 3.21Å; N240-Q243 PolarHBondContact O-N 3.07Å; N240-Q243 VanDerWaalsContact O-N 3.08Å; Q243-R245 PolarHBondContact O-N 3.4Å; Q243-K246 WeakPolarHBondContact O-CA 3.43Å; Q243-K246 WeakPolarHBondContact O-CB 3.43Å; Q243-K246 PolarHBondContact O-N 2.7Å; Q243-V247 PolarHBondContact O-N 3.22Å
244A95.3Very high92.8Very high0 Ų061.4 Ų61.40%033%0.331CS..Hα-helixtrans-58.8-43.5175.100000112.2N240 K246 V247 I253 A275 F278 L279N240-A244 PolarHBondContact O-N 2.85Å; A244-K246 PolarHBondContact O-N 3.37Å; A244-V247 WeakPolarHBondContact O-CB 3.41Å; A244-V247 WeakPolarHBondContact O-CG2 3.33Å; A244-V247 PolarHBondContact O-N 3.35Å; A244-I253 HydrophobicContact CB-CD1 3.51Å; A244-A275 HydrophobicContact CB-CB 4.28Å; A244-F278 HydrophobicContact CB-CB 4.23Å; A244-L279 HydrophobicContact CB-CD1 3.65Å; A244-L279 HydrophobicContact CB-CD2 4.04Å; A244-L279 HydrophobicContact CB-CG 3.81Å
245R94.6Very high92.8Very high122 Ų12261 Ų6146%0.4633%0.329SS..THydrogen-bonded Turntrans-65.9-17.1173-71.3179.3-167.1-81-2.3114.6I241 Q243 I253I241-R245 VanDerWaalsContact O-CG 3.31Å; I241-R245 WeakPolarHBondContact O-CG 3.38Å; I241-R245 PolarHBondContact O-N 2.98Å; Q243-R245 PolarHBondContact O-N 3.4Å; R245-I253 HydrophobicContact CG-CB 4.24Å; R245-I253 HydrophobicContact CG-CD1 4.02Å; R245-I253 HydrophobicContact CG-CG1 4.18Å; R245-I253 PolarHBondContact NH1-O 3.16Å; R245-I253 PolarHBondContact NH2-O 2.78Å
246K95.6Very high92.9Very high150 Ų15063.1 Ų63.165%0.65234%0.338SS*.THydrogen-bonded Turntrans-92.9-0.8176.6-74.4167.3-173.9168.40112.9Q242 Q243 A244 P248Q242-K246 WeakPolarHBondContact O-CD 3.18Å; Q242-K246 WeakPolarHBondContact O-CG 3.34Å; Q242-K246 PolarHBondContact O-N 3.39Å; Q243-K246 WeakPolarHBondContact O-CA 3.43Å; Q243-K246 WeakPolarHBondContact O-CB 3.43Å; Q243-K246 PolarHBondContact O-N 2.7Å; A244-K246 PolarHBondContact O-N 3.37Å; K246-P248 WeakPolarHBondContact O-CD 3.42Å
247V94.5Very high92.8Very high11 Ų1165.1 Ų65.17%0.06734%0.339CS..SBendtrans-66.9123.3174.1175.40000108.9Q243 A244 G249 V250 A271 K274 A275 F278Q243-V247 PolarHBondContact O-N 3.22Å; A244-V247 WeakPolarHBondContact O-CB 3.41Å; A244-V247 WeakPolarHBondContact O-CG2 3.33Å; A244-V247 PolarHBondContact O-N 3.35Å; V247-G249 PolarHBondContact O-N 3.26Å; V247-V250 HydrophobicContact CB-CG2 3.73Å; V247-V250 HydrophobicContact CG1-CG2 3.96Å; V247-V250 WeakPolarHBondContact O-CB 3.29Å; V247-V250 PolarHBondContact O-N 3.05Å; V247-V250 VanDerWaalsContact O-N 3.13Å; V247-A271 HydrophobicContact CG1-CB 4.32Å; V247-K274 HydrophobicContact CG1-CB 4.24Å; V247-K274 HydrophobicContact CG1-CD 4.17Å; V247-K274 HydrophobicContact CG1-CG 4.21Å; V247-K274 HydrophobicContact CG2-CG 4.42Å; V247-A275 HydrophobicContact CB-CB 4.49Å; V247-A275 HydrophobicContact CG2-CB 4.37Å; V247-F278 HydrophobicContact CG2-CD2 4.1Å; V247-F278 HydrophobicContact CG2-CE2 3.69Å
248P91.5Very high92.8Very high111 Ų11163.8 Ų63.872%0.72134%0.339SS*.THydrogen-bonded Turntrans-57.1136175.6-24.134.5000110.9K246 A271K246-P248 WeakPolarHBondContact O-CD 3.42Å; P248-A271 WeakPolarHBondContact O-CB 3.22Å
249G88.7Confident92.8Very high17 Ų1766.7 Ų66.718%0.17536%0.355CS..THydrogen-bonded Turntrans86.1-2.3-175.700000115V247 G266 E267V247-G249 PolarHBondContact O-N 3.26Å; G249-G266 CarbonylContact O-C 3.58Å; G249-G266 WeakPolarHBondContact O-CA 3.04Å; G249-E267 PolarHBondContact O-N 3.23Å
250V91.3Very high92.7Very high23 Ų2366 Ų6614%0.13935%0.347CS..EExtended strand (participates in β ladder)trans-86.4125.3167.9177.20000109.9V247 I253 I264 A271 A275V247-V250 HydrophobicContact CB-CG2 3.73Å; V247-V250 HydrophobicContact CG1-CG2 3.96Å; V247-V250 WeakPolarHBondContact O-CB 3.29Å; V247-V250 PolarHBondContact O-N 3.05Å; V247-V250 VanDerWaalsContact O-N 3.13Å; V250-I253 HydrophobicContact CG1-CD1 4.18Å; V250-I253 HydrophobicContact CG1-CG1 3.83Å; V250-I264 HydrophobicContact CG1-CG2 4.38Å; V250-A271 HydrophobicContact CG2-CB 4.4Å; V250-A275 HydrophobicContact CG2-CB 3.61Å
251T89Confident92.7Very high68 Ų6864.7 Ų64.742%0.41734%0.341SS..EExtended strand (participates in β ladder)trans-92.6-45.2179.6-43.90000111.6A216 Y265A216-T251 HydrophobicContact CB-CG2 3.78Å; T251-Y265 PolarHBondContact N-O 2.82Å
252A90.8Very high92.8Very high32 Ų3263.7 Ų63.726%0.26434%0.336SS..EExtended strand (participates in β ladder)trans-150.8153.1-17900000111.4Y265A252-Y265 HydrophobicContact CB-CD2 4.07Å; A252-Y265 PolarHBondContact N-O 3.4Å; A252-Y265 PolarHBondContact O-N 3.1Å
253I93.6Very high92.8Very high0 Ų061.2 Ų61.20%032%0.324CS..EExtended strand (participates in β ladder)trans-133.3124167.3-59.2-174.7000106.1I241 A244 R245 V250 F262 H263 I264 A275 L279I241-I253 HydrophobicContact CD1-CG2 4.45Å; I241-I253 HydrophobicContact CG1-CG2 4.43Å; A244-I253 HydrophobicContact CB-CD1 3.51Å; R245-I253 HydrophobicContact CG-CB 4.24Å; R245-I253 HydrophobicContact CG-CD1 4.02Å; R245-I253 HydrophobicContact CG-CG1 4.18Å; R245-I253 PolarHBondContact NH1-O 3.16Å; R245-I253 PolarHBondContact NH2-O 2.78Å; V250-I253 HydrophobicContact CG1-CD1 4.18Å; V250-I253 HydrophobicContact CG1-CG1 3.83Å; I253-F262 HydrophobicContact CG2-CD1 4.15Å; I253-H263 CarbonylContact C-O 3.57Å; I253-H263 VanDerWaalsContact CA-O 3.3Å; I253-H263 WeakPolarHBondContact CA-O 3.43Å; I253-I264 HydrophobicContact CD1-CD1 4.39Å; I253-I264 HydrophobicContact CD1-CG1 4.36Å; I253-I264 HydrophobicContact CG1-CG1 4.16Å; I253-I264 HydrophobicContact CG1-CG2 4.21Å; I253-I264 HydrophobicContact CG2-CG1 4.25Å; I253-A275 HydrophobicContact CD1-CB 4.39Å; I253-L279 HydrophobicContact CD1-CD1 4.11Å; I253-L279 HydrophobicContact CG2-CD1 4.28Å
254D93Very high92.8Very high82 Ų8256.6 Ų56.644%0.43930%0.302SS..EExtended strand (participates in β ladder)trans-116.4145.4174.9-59.4-43.4000108.8F262 H263D254-F262 WeakPolarHBondContact O-CA 3.46Å; D254-H263 HydrophobicContact CB-CB 4.44Å; D254-H263 PolarHBondContact N-O 2.92Å; D254-H263 PolarHBondContact O-N 3.45Å
255L93.4Very high92.6Very high45 Ų4560 Ų6024%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-121.7120.4177172.259.4000107.4M230 I234 E257 F262M230-L255 HydrophobicContact CE-CD1 4.07Å; M230-L255 HydrophobicContact SD-CD1 4.17Å; M230-L255 HydrophobicContact SD-CD2 4.17Å; I234-L255 HydrophobicContact CD1-CD2 3.96Å; I234-L255 HydrophobicContact CG1-CD2 4.32Å; L255-E257 HydrophobicContact CD2-CG 4.42Å; L255-E257 HydrophobicContact CG-CG 4.3Å; L255-F262 HydrophobicContact CB-CD1 4.34Å; L255-F262 HydrophobicContact CB-CE1 4.24Å; L255-F262 HydrophobicContact CD1-CD1 4.15Å; L255-F262 HydrophobicContact CD1-CD2 4.04Å; L255-F262 HydrophobicContact CD1-CE1 3.99Å; L255-F262 HydrophobicContact CD1-CE2 3.87Å; L255-F262 HydrophobicContact CD1-CG 4.18Å; L255-F262 HydrophobicContact CD1-CZ 3.85Å; L255-F262 HydrophobicContact CD2-CE1 4.23Å; L255-F262 HydrophobicContact CD2-CZ 4.15Å; L255-F262 HydrophobicContact CG-CE1 4.38Å; L255-F262 HydrophobicContact CG-CZ 4.5Å
256D93.1Very high92.4Very high57 Ų5754.2 Ų54.231%0.30529%0.294SS..EExtended strand (participates in β ladder)trans-86.9106.6165.3-179.99.8000108.2D258 T259 C260 T261D256-D258 VanDerWaalsContact C-N 3.35Å; D256-D258 PolarHBondContact OD1-N 3.05Å; D256-T259 WeakPolarHBondContact OD2-CB 3.46Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.48Å; D256-T259 PolarHBondContact OD2-OG1 3.07Å; D256-C260 CarbonylContact O-C 3.48Å; D256-C260 VanDerWaalsContact O-CA 3.26Å; D256-C260 WeakPolarHBondContact O-CA 3.14Å; D256-C260 PolarHBondContact O-N 3.38Å; D256-T261 PolarHBondContact N-O 2.92Å; D256-T261 PolarHBondContact O-N 3.34Å; D256-T261 VanDerWaalsContact O-N 3.11Å
257E89.5Confident91.9Very high159 Ų15951.2 Ų51.274%0.74328%0.282SS*.THydrogen-bonded Turntrans-68.5-33.6-177.6-64.8-179177.200111.7L255 T259L255-E257 HydrophobicContact CD2-CG 4.42Å; L255-E257 HydrophobicContact CG-CG 4.3Å; E257-T259 PolarHBondContact O-N 3.06Å
258D90.4Very high91.6Very high159 Ų15955.1 Ų55.185%0.8530%0.303SS*.THydrogen-bonded Turntrans-69.9-32.8-177.6-72.3-26.2000112D256D256-D258 VanDerWaalsContact C-N 3.35Å; D256-D258 PolarHBondContact OD1-N 3.05Å
259T91.8Very high91.5Very high71 Ų7153 Ų5344%0.43628%0.283SS..THydrogen-bonded Turntrans-106.2-2.3178.668.10000114.1D256 E257 T261D256-T259 WeakPolarHBondContact OD2-CB 3.46Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.48Å; D256-T259 PolarHBondContact OD2-OG1 3.07Å; E257-T259 PolarHBondContact O-N 3.06Å; T259-T261 PolarHBondContact O-N 2.82Å; T259-T261 VanDerWaalsContact OG1-CB 3.3Å; T259-T261 WeakPolarHBondContact OG1-CB 3.31Å; T259-T261 PolarHBondContact OG1-OG1 3.17Å
260C93.5Very high91.7Very high21 Ų2157.9 Ų57.914%0.14231%0.305CS..THydrogen-bonded Turntrans53.133.6-171.3-68.30000113.6V225 M230 D256V225-C260 PolarHBondContact N-O 3.38Å; V225-C260 WeakPolarHBondContact O-CB 3.21Å; M230-C260 HydrophobicContact CE-CB 3.42Å; M230-C260 VanDerWaalsContact CE-CB 3.42Å; D256-C260 CarbonylContact O-C 3.48Å; D256-C260 VanDerWaalsContact O-CA 3.26Å; D256-C260 WeakPolarHBondContact O-CA 3.14Å; D256-C260 PolarHBondContact O-N 3.38Å
261T94.2Very high91.8Very high16 Ų1657.2 Ų57.210%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-98.9126.8-177.2-54.80000111.4Q222 I224 D256 T259Q222-T261 HydrophobicContact CB-CG2 4.42Å; I224-T261 HydrophobicContact CG1-CG2 4.45Å; D256-T261 PolarHBondContact N-O 2.92Å; D256-T261 PolarHBondContact O-N 3.34Å; D256-T261 VanDerWaalsContact O-N 3.11Å; T259-T261 PolarHBondContact O-N 2.82Å; T259-T261 VanDerWaalsContact OG1-CB 3.3Å; T259-T261 WeakPolarHBondContact OG1-CB 3.31Å; T259-T261 PolarHBondContact OG1-OG1 3.17Å
262F96Very high92Very high0 Ų054 Ų540%028%0.282CS..EExtended strand (participates in β ladder)trans-90.3136.3166.8-73.7-89.8000110.5Q222 F223 V225 M230 A233 I234 I241 I253 D254 L255 L279Q222-F262 WeakPolarHBondContact CA-O 3.32Å; F223-F262 HydrophobicContact CD1-CB 4.33Å; F223-F262 HydrophobicContact CD2-CB 4.39Å; F223-F262 HydrophobicContact CD2-CD2 4.38Å; F223-F262 HydrophobicContact CE1-CB 3.72Å; F223-F262 HydrophobicContact CE2-CB 3.79Å; F223-F262 AromaticContact CE2-CD2 3.61Å; F223-F262 HydrophobicContact CE2-CD2 3.61Å; F223-F262 HydrophobicContact CE2-CE2 4.46Å; F223-F262 AromaticContact CE2-CG 3.9Å; F223-F262 HydrophobicContact CE2-CG 3.9Å; F223-F262 HydrophobicContact CZ-CB 3.4Å; F223-F262 AromaticContact CZ-CD2 3.95Å; F223-F262 HydrophobicContact CZ-CD2 3.95Å; F223-F262 AromaticContact CZ-CG 3.74Å; F223-F262 HydrophobicContact CZ-CG 3.74Å; F223-F262 PolarHBondContact N-O 2.85Å; F223-F262 PolarHBondContact O-N 3.15Å; V225-F262 HydrophobicContact CB-CE2 4.22Å; V225-F262 HydrophobicContact CG2-CD2 3.81Å; V225-F262 HydrophobicContact CG2-CE2 3.73Å; M230-F262 HydrophobicContact CE-CE2 3.98Å; M230-F262 HydrophobicContact SD-CE2 3.64Å; M230-F262 HydrophobicContact SD-CZ 3.76Å; A233-F262 HydrophobicContact CB-CE2 4.09Å; A233-F262 HydrophobicContact CB-CZ 4.15Å; I234-F262 HydrophobicContact CG1-CZ 4.48Å; I241-F262 HydrophobicContact CD1-CE1 4.11Å; I253-F262 HydrophobicContact CG2-CD1 4.15Å; D254-F262 WeakPolarHBondContact O-CA 3.46Å; L255-F262 HydrophobicContact CB-CD1 4.34Å; L255-F262 HydrophobicContact CB-CE1 4.24Å; L255-F262 HydrophobicContact CD1-CD1 4.15Å; L255-F262 HydrophobicContact CD1-CD2 4.04Å; L255-F262 HydrophobicContact CD1-CE1 3.99Å; L255-F262 HydrophobicContact CD1-CE2 3.87Å; L255-F262 HydrophobicContact CD1-CG 4.18Å; L255-F262 HydrophobicContact CD1-CZ 3.85Å; L255-F262 HydrophobicContact CD2-CE1 4.23Å; L255-F262 HydrophobicContact CD2-CZ 4.15Å; L255-F262 HydrophobicContact CG-CE1 4.38Å; L255-F262 HydrophobicContact CG-CZ 4.5Å; F262-L279 HydrophobicContact CD1-CD1 3.98Å; F262-L279 HydrophobicContact CE1-CD1 4.09Å
263H94.1Very high92.2Very high45 Ų4557.4 Ų57.421%0.20829%0.291CS..EExtended strand (participates in β ladder)trans-114.7123.6166.7-63.3-58.3000109H220 Q222 I253 D254 Y265H220-H263 AromaticContact CE1-ND1 3.79Å; H220-H263 AromaticContact NE2-CG 3.81Å; H220-H263 AromaticContact NE2-ND1 3.44Å; H220-H263 PolarHBondContact NE2-ND1 3.43Å; Q222-H263 WeakPolarHBondContact CB-ND1 3.27Å; Q222-H263 PolarHBondContact OE1-CE1 3.33Å; Q222-H263 VanDerWaalsContact OE1-CE1 3.25Å; Q222-H263 PolarHBondContact OE1-ND1 3.23Å; I253-H263 CarbonylContact C-O 3.57Å; I253-H263 VanDerWaalsContact CA-O 3.3Å; I253-H263 WeakPolarHBondContact CA-O 3.43Å; D254-H263 HydrophobicContact CB-CB 4.44Å; D254-H263 PolarHBondContact N-O 2.92Å; D254-H263 PolarHBondContact O-N 3.45Å; H263-Y265 HydrophobicContact CB-CE2 3.85Å
264I94.4Very high92.3Very high0 Ų063.2 Ų63.20%032%0.316CS..EExtended strand (participates in β ladder)trans-116.4126178.6-57.3-175.1000108.5H220 E221 F223 V250 I253 V272 A275 R276 L279H220-I264 VanDerWaalsContact CA-O 3.31Å; H220-I264 WeakPolarHBondContact CA-O 3.37Å; H220-I264 PolarHBondContact CD2-O 3.04Å; E221-I264 PolarHBondContact N-O 3.31Å; E221-I264 PolarHBondContact O-N 3.36Å; F223-I264 HydrophobicContact CE1-CD1 3.74Å; F223-I264 HydrophobicContact CE1-CG1 4.21Å; F223-I264 HydrophobicContact CZ-CD1 4.25Å; V250-I264 HydrophobicContact CG1-CG2 4.38Å; I253-I264 HydrophobicContact CD1-CD1 4.39Å; I253-I264 HydrophobicContact CD1-CG1 4.36Å; I253-I264 HydrophobicContact CG1-CG1 4.16Å; I253-I264 HydrophobicContact CG1-CG2 4.21Å; I253-I264 HydrophobicContact CG2-CG1 4.25Å; I264-V272 HydrophobicContact CB-CG1 4.09Å; I264-V272 HydrophobicContact CG2-CB 4.26Å; I264-V272 HydrophobicContact CG2-CG1 3.84Å; I264-V272 HydrophobicContact CG2-CG2 4.24Å; I264-A275 HydrophobicContact CD1-CB 3.94Å; I264-A275 HydrophobicContact CG2-CB 3.98Å; I264-R276 HydrophobicContact CD1-CB 4.05Å; I264-L279 HydrophobicContact CD1-CD1 4.26Å
265Y91.3Very high92.4Very high71 Ų7159.3 Ų59.328%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-114.2137.3177.7-58.6-85.1000110.1F219 H220 T251 A252 H263F219-Y265 WeakPolarHBondContact O-CA 3.47Å; H220-Y265 HydrophobicContact CB-CD1 4.21Å; H220-Y265 HydrophobicContact CB-CE1 4.28Å; H220-Y265 AromaticContact CD2-CD1 3.57Å; H220-Y265 AromaticContact CD2-CE1 3.18Å; H220-Y265 WeakPolarHBondContact CD2-CE1 3.38Å; H220-Y265 AromaticContact CD2-CZ 3.51Å; H220-Y265 AromaticContact CG-CE1 3.85Å; H220-Y265 AromaticContact NE2-CE1 3.72Å; H220-Y265 AromaticContact NE2-CZ 3.63Å; T251-Y265 PolarHBondContact N-O 2.82Å; A252-Y265 HydrophobicContact CB-CD2 4.07Å; A252-Y265 PolarHBondContact N-O 3.4Å; A252-Y265 PolarHBondContact O-N 3.1Å; H263-Y265 HydrophobicContact CB-CE2 3.85Å
266G90.1Very high92.5Very high0 Ų060 Ų600%030%0.295CS..EExtended strand (participates in β ladder)trans-160.1167.6179.800000115.2F219 G249F219-G266 PolarHBondContact N-O 3.43Å; F219-G266 PolarHBondContact O-N 3.47Å; G249-G266 CarbonylContact O-C 3.58Å; G249-G266 WeakPolarHBondContact O-CA 3.04Å
267E86.6Confident92.6Very high88 Ų8858.9 Ų58.941%0.41129%0.292SS..SBendtrans-77.4-27.2179.1-59-177.4161.400111.9F219 G249F219-E267 WeakPolarHBondContact CD2-O 3.33Å; F219-E267 WeakPolarHBondContact CE2-O 3.27Å; G249-E267 PolarHBondContact O-N 3.23Å
268D87.8Confident92.8Very high92 Ų9254.6 Ų54.649%0.49227%0.271SS..SBendtrans-129.6140.3-178.4-67.7-50.2000112.7F219 D270 A271 V272F219-D268 VanDerWaalsContact CD2-C 3.47Å; D268-D270 VanDerWaalsContact C-N 3.27Å; D268-D270 PolarHBondContact O-N 2.93Å; D268-A271 HydrophobicContact CB-CB 4.01Å; D268-A271 PolarHBondContact O-N 3.16Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; D268-V272 PolarHBondContact O-N 3.3Å; D268-V272 VanDerWaalsContact O-N 3.14Å
269Q90.1Very high93.1Very high66 Ų6647 Ų4731%0.30823%0.23SC..Hα-helixtrans-57.2-40.4173.6-173.177.650.400112.2F219 E221 V272 K273F219-Q269 HydrophobicContact CD1-CB 3.89Å; F219-Q269 HydrophobicContact CE1-CB 3.99Å; F219-Q269 HydrophobicContact CG-CB 4.26Å; F219-Q269 HydrophobicContact CZ-CB 4.44Å; E221-Q269 PolarHBondContact OE1-NE2 3.43Å; Q269-V272 PolarHBondContact O-N 3.32Å; Q269-K273 HydrophobicContact CG-CD 4.2Å; Q269-K273 WeakPolarHBondContact O-CG 3.44Å; Q269-K273 PolarHBondContact O-N 3.36Å
270D92.6Very high93.3Very high121 Ų12144.5 Ų44.565%0.64721%0.214SC*.Hα-helixtrans-72.5-30.6-176.6-66.3-24.1000111.9D268 K274D268-D270 VanDerWaalsContact C-N 3.27Å; D268-D270 PolarHBondContact O-N 2.93Å; D270-K274 WeakPolarHBondContact O-CB 3.49Å; D270-K274 PolarHBondContact O-N 3.35Å
271A93.3Very high93.4Very high8 Ų844.4 Ų44.47%0.06621%0.211CC..Hα-helixtrans-65.3-46.6170.900000111.1V247 P248 V250 D268 K274 A275V247-A271 HydrophobicContact CG1-CB 4.32Å; P248-A271 WeakPolarHBondContact O-CB 3.22Å; V250-A271 HydrophobicContact CG2-CB 4.4Å; D268-A271 HydrophobicContact CB-CB 4.01Å; D268-A271 PolarHBondContact O-N 3.16Å; A271-K274 PolarHBondContact O-N 3.03Å; A271-A275 WeakPolarHBondContact O-CB 3.38Å; A271-A275 PolarHBondContact O-N 3.1Å
272V93.4Very high93.5Very high0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-62.3-46.31781740000111.4F219 E221 I264 D268 Q269 K274 A275 R276F219-V272 HydrophobicContact CB-CG2 4.01Å; E221-V272 HydrophobicContact CB-CG1 3.53Å; E221-V272 HydrophobicContact CG-CG1 3.57Å; I264-V272 HydrophobicContact CB-CG1 4.09Å; I264-V272 HydrophobicContact CG2-CB 4.26Å; I264-V272 HydrophobicContact CG2-CG1 3.84Å; I264-V272 HydrophobicContact CG2-CG2 4.24Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; D268-V272 PolarHBondContact O-N 3.3Å; D268-V272 VanDerWaalsContact O-N 3.14Å; Q269-V272 PolarHBondContact O-N 3.32Å; V272-K274 PolarHBondContact O-N 2.81Å; V272-A275 PolarHBondContact O-N 3.48Å; V272-R276 WeakPolarHBondContact O-CB 3.34Å; V272-R276 PolarHBondContact O-N 3.21Å
273K94.4Very high93.4Very high105 Ų10547.1 Ų47.146%0.45723%0.226SC..Hα-helixtrans-60.6-43.3174.4-75.3175.1179.8166.50112.9E221 Q269 A275 R276 S277E221-K273 WeakPolarHBondContact OE1-CG 3.2Å; Q269-K273 HydrophobicContact CG-CD 4.2Å; Q269-K273 WeakPolarHBondContact O-CG 3.44Å; Q269-K273 PolarHBondContact O-N 3.36Å; K273-A275 VanDerWaalsContact C-N 3.32Å; K273-A275 PolarHBondContact O-N 3.31Å; K273-R276 WeakPolarHBondContact O-CB 3.21Å; K273-R276 PolarHBondContact O-N 2.97Å; K273-S277 PolarHBondContact O-N 2.92Å
274K94.7Very high93.5Very high122 Ų12249.1 Ų49.153%0.5324%0.238SC..Hα-helixtrans-67.5-32.8178.6-176.9173-178.4176.70112.2V247 D270 A271 V272 S277 F278V247-K274 HydrophobicContact CG1-CB 4.24Å; V247-K274 HydrophobicContact CG1-CD 4.17Å; V247-K274 HydrophobicContact CG1-CG 4.21Å; V247-K274 HydrophobicContact CG2-CG 4.42Å; D270-K274 WeakPolarHBondContact O-CB 3.49Å; D270-K274 PolarHBondContact O-N 3.35Å; A271-K274 PolarHBondContact O-N 3.03Å; V272-K274 PolarHBondContact O-N 2.81Å; K274-S277 PolarHBondContact O-OG 2.93Å; K274-S277 VanDerWaalsContact O-OG 3.14Å; K274-F278 HydrophobicContact CG-CE2 4.2Å; K274-F278 WeakPolarHBondContact O-CD2 3.41Å; K274-F278 VanDerWaalsContact O-CE2 3.31Å; K274-F278 WeakPolarHBondContact O-CE2 3.48Å
275A95.6Very high93.4Very high0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-70.5-38.7172.300000112A244 V247 V250 I253 I264 A271 V272 K273 F278A244-A275 HydrophobicContact CB-CB 4.28Å; V247-A275 HydrophobicContact CB-CB 4.49Å; V247-A275 HydrophobicContact CG2-CB 4.37Å; V250-A275 HydrophobicContact CG2-CB 3.61Å; I253-A275 HydrophobicContact CD1-CB 4.39Å; I264-A275 HydrophobicContact CD1-CB 3.94Å; I264-A275 HydrophobicContact CG2-CB 3.98Å; A271-A275 WeakPolarHBondContact O-CB 3.38Å; A271-A275 PolarHBondContact O-N 3.1Å; V272-A275 PolarHBondContact O-N 3.48Å; K273-A275 VanDerWaalsContact C-N 3.32Å; K273-A275 PolarHBondContact O-N 3.31Å; A275-F278 PolarHBondContact O-N 2.92Å
276R96.1Very high93.5Very high59 Ų5949.7 Ų49.722%0.22325%0.248CC..Hα-helixtrans-60-42.4174172.4175.3-178.6151.312.5112.7E221 F223 I264 V272 K273 F278 L279 E280E221-R276 WeakPolarHBondContact OE2-CD 3.34Å; E221-R276 IonicContact OE2-CZ 2.82Å; E221-R276 IonicContact OE2-NE 3.91Å; E221-R276 IonicContact OE2-NH1 2.79Å; E221-R276 PolarHBondContact OE2-NH1 3.05Å; F223-R276 HydrophobicContact CD1-CB 4.42Å; F223-R276 HydrophobicContact CD1-CG 3.73Å; F223-R276 HydrophobicContact CE1-CB 3.99Å; F223-R276 HydrophobicContact CE1-CG 3.71Å; F223-R276 HydrophobicContact CG-CG 4.42Å; F223-R276 HydrophobicContact CZ-CG 4.36Å; I264-R276 HydrophobicContact CD1-CB 4.05Å; V272-R276 WeakPolarHBondContact O-CB 3.34Å; V272-R276 PolarHBondContact O-N 3.21Å; K273-R276 WeakPolarHBondContact O-CB 3.21Å; K273-R276 PolarHBondContact O-N 2.97Å; R276-F278 PolarHBondContact O-N 2.71Å; R276-L279 PolarHBondContact O-N 2.82Å; R276-E280 HydrophobicContact CG-CB 4.09Å; R276-E280 IonicContact CZ-OE1 2.88Å; R276-E280 IonicContact CZ-OE2 2.68Å; R276-E280 VanDerWaalsContact NE-CD 3.33Å; R276-E280 IonicContact NE-OE1 2.69Å; R276-E280 IonicContact NE-OE2 2.78Å; R276-E280 PolarHBondContact NE-OE2 3.12Å; R276-E280 IonicContact NH2-OE1 3.24Å; R276-E280 PolarHBondContact NH2-OE1 3.11Å; R276-E280 IonicContact NH2-OE2 2.75Å; R276-E280 PolarHBondContact NH2-OE2 2.93Å; R276-E280 WeakPolarHBondContact O-CB 3.42Å; R276-E280 PolarHBondContact O-N 3.38Å
277S95Very high93.5Very high34 Ų3452.6 Ų52.624%0.23826%0.261CS..Hα-helixtrans-66.5-19.4-178.563.10000114.8K273 K274 L279 T406 D408K273-S277 PolarHBondContact O-N 2.92Å; K274-S277 PolarHBondContact O-OG 2.93Å; K274-S277 VanDerWaalsContact O-OG 3.14Å; S277-L279 VanDerWaalsContact C-N 3.32Å; S277-T406 VanDerWaalsContact O-CG2 3.3Å; S277-T406 WeakPolarHBondContact O-CG2 3.39Å; S277-D408 WeakPolarHBondContact CB-OD2 3.26Å
278F93.8Very high93.8Very high68 Ų6848.4 Ų48.430%0.29824%0.242SC..THydrogen-bonded Turntrans-75.4-17.9169.6-69-70.2000114A244 V247 K274 A275 R276A244-F278 HydrophobicContact CB-CB 4.23Å; V247-F278 HydrophobicContact CG2-CD2 4.1Å; V247-F278 HydrophobicContact CG2-CE2 3.69Å; K274-F278 HydrophobicContact CG-CE2 4.2Å; K274-F278 WeakPolarHBondContact O-CD2 3.41Å; K274-F278 VanDerWaalsContact O-CE2 3.31Å; K274-F278 WeakPolarHBondContact O-CE2 3.48Å; A275-F278 PolarHBondContact O-N 2.92Å; R276-F278 PolarHBondContact O-N 2.71Å
279L96.1Very high93.9Very high0 Ų045.1 Ų45.10%023%0.225CC..THydrogen-bonded Turntrans-124-24.5-165.2-58.5-177.2000113.9F223 V225 A233 N240 I241 A244 I253 F262 I264 R276 S277 F281F223-L279 HydrophobicContact CE2-CB 4.05Å; F223-L279 HydrophobicContact CZ-CB 3.65Å; V225-L279 WeakPolarHBondContact CG2-O 3.33Å; A233-L279 VanDerWaalsContact CB-O 3.26Å; A233-L279 WeakPolarHBondContact CB-O 3.37Å; A233-L279 WeakPolarHBondContact O-CD2 3.44Å; N240-L279 HydrophobicContact CB-CD2 4.25Å; I241-L279 HydrophobicContact CB-CD2 4.2Å; A244-L279 HydrophobicContact CB-CD1 3.65Å; A244-L279 HydrophobicContact CB-CD2 4.04Å; A244-L279 HydrophobicContact CB-CG 3.81Å; I253-L279 HydrophobicContact CD1-CD1 4.11Å; I253-L279 HydrophobicContact CG2-CD1 4.28Å; F262-L279 HydrophobicContact CD1-CD1 3.98Å; F262-L279 HydrophobicContact CE1-CD1 4.09Å; I264-L279 HydrophobicContact CD1-CD1 4.26Å; R276-L279 PolarHBondContact O-N 2.82Å; S277-L279 VanDerWaalsContact C-N 3.32Å; L279-F281 PolarHBondContact O-N 2.94Å
280E95.9Very high93.9Very high19 Ų1949.5 Ų49.59%0.08924%0.239CC..  trans-78.572.5-178.7-165.3174-157.800111.5F223 R276 T406 K407F223-E280 HydrophobicContact CB-CG 4.46Å; F223-E280 HydrophobicContact CD2-CB 3.83Å; F223-E280 HydrophobicContact CD2-CG 3.74Å; F223-E280 HydrophobicContact CE2-CB 3.87Å; F223-E280 HydrophobicContact CE2-CG 4.3Å; F223-E280 HydrophobicContact CG-CB 4.38Å; F223-E280 HydrophobicContact CG-CG 4.16Å; F223-E280 HydrophobicContact CZ-CB 4.47Å; R276-E280 HydrophobicContact CG-CB 4.09Å; R276-E280 IonicContact CZ-OE1 2.88Å; R276-E280 IonicContact CZ-OE2 2.68Å; R276-E280 VanDerWaalsContact NE-CD 3.33Å; R276-E280 IonicContact NE-OE1 2.69Å; R276-E280 IonicContact NE-OE2 2.78Å; R276-E280 PolarHBondContact NE-OE2 3.12Å; R276-E280 IonicContact NH2-OE1 3.24Å; R276-E280 PolarHBondContact NH2-OE1 3.11Å; R276-E280 IonicContact NH2-OE2 2.75Å; R276-E280 PolarHBondContact NH2-OE2 2.93Å; R276-E280 WeakPolarHBondContact O-CB 3.42Å; R276-E280 PolarHBondContact O-N 3.38Å; E280-T406 WeakPolarHBondContact O-CA 3.4Å; E280-K407 HydrophobicContact CG-CD 3.91Å; E280-K407 HydrophobicContact CG-CG 4.15Å; E280-K407 PolarHBondContact O-N 3.27Å; E280-K407 WeakPolarHBondContact OE1-CE 3.42Å; E280-K407 IonicContact OE1-NZ 2.58Å; E280-K407 PolarHBondContact OE1-NZ 3.47Å
281F96.1Very high93.6Very high19 Ų1949.5 Ų49.58%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-76137.6171.1-79-99.3000111.4V225 L229 L232 A233 L279 V314 G405 T406V225-F281 HydrophobicContact CG1-CB 4.37Å; L229-F281 HydrophobicContact CB-CB 4.25Å; L232-F281 HydrophobicContact CB-CD1 3.74Å; L232-F281 HydrophobicContact CB-CD2 4.48Å; L232-F281 HydrophobicContact CB-CE1 3.84Å; L232-F281 HydrophobicContact CB-CG 4.08Å; L232-F281 HydrophobicContact CB-CZ 4.25Å; L232-F281 HydrophobicContact CD1-CD1 4.28Å; L232-F281 WeakPolarHBondContact O-CE2 3.27Å; A233-F281 VanDerWaalsContact CA-CD2 3.44Å; A233-F281 HydrophobicContact CB-CD2 3.88Å; L279-F281 PolarHBondContact O-N 2.94Å; F281-V314 HydrophobicContact CE1-CG2 3.95Å; F281-G405 CarbonylContact C-O 3.58Å; F281-G405 VanDerWaalsContact CA-O 3.32Å; F281-G405 WeakPolarHBondContact CA-O 3.38Å; F281-G405 VanDerWaalsContact CD1-C 3.46Å; F281-T406 HydrophobicContact CD1-CG2 4.39Å; F281-T406 HydrophobicContact CD2-CG2 4.02Å; F281-T406 HydrophobicContact CE1-CG2 4.02Å; F281-T406 HydrophobicContact CE2-CG2 3.63Å; F281-T406 HydrophobicContact CG-CG2 4.39Å; F281-T406 HydrophobicContact CZ-CG2 3.63Å
282A95.9Very high93.5Very high19 Ų1949.3 Ų49.316%0.15724%0.237CC..EExtended strand (participates in β ladder)trans-138.7168.7178.200000111G405 K407 I410A282-G405 PolarHBondContact N-O 3.02Å; A282-G405 PolarHBondContact O-N 2.88Å; A282-K407 HydrophobicContact CB-CG 4.11Å; A282-I410 HydrophobicContact CB-CD1 4.03Å; A282-I410 WeakPolarHBondContact O-CD1 3.38Å
283E95.2Very high93.3Very high54 Ų5450.2 Ų50.225%0.25224%0.242SC..EExtended strand (participates in β ladder)trans-120.5128.7163.4-177.6164107.300105.9L229 R315 R317 V402 F403 V404L229-E283 HydrophobicContact CD1-CB 4.31Å; E283-R315 IonicContact OE2-NH2 3.11Å; E283-R317 IonicContact OE1-NH1 3.13Å; E283-R317 IonicContact OE2-NH1 3.73Å; E283-R317 PolarHBondContact OE2-NH1 3.46Å; E283-V402 HydrophobicContact CG-CG1 3.28Å; E283-F403 WeakPolarHBondContact CA-O 3.26Å; E283-V404 HydrophobicContact CB-CG2 4.12Å; E283-V404 HydrophobicContact CG-CG2 3.77Å; E283-V404 WeakPolarHBondContact OE2-CG2 3.23Å
284D95Very high93.1Very high87 Ų8748 Ų4847%0.46525%0.249SC..EExtended strand (participates in β ladder)trans-136.9154.6-178.3-159.71.3000110.6V402 F403 I410D284-V402 CarbonylContact O-C 3.58Å; D284-V402 WeakPolarHBondContact O-CA 3.25Å; D284-F403 PolarHBondContact N-O 2.68Å; D284-F403 PolarHBondContact O-N 2.78Å; D284-I410 HydrophobicContact CB-CD1 4.35Å; D284-I410 HydrophobicContact CB-CG2 3.71Å
285V93.6Very high92.9Very high66 Ų6645.8 Ų45.840%0.424%0.239SC..EExtended strand (participates in β ladder)trans-123113.9-166.4-172.60000111P400 V402V285-P400 HydrophobicContact CG1-CB 3.43Å; V285-P400 VanDerWaalsContact CG1-CB 3.43Å; V285-V402 HydrophobicContact CG1-CG2 4.34Å; V285-V402 HydrophobicContact CG2-CG1 4.42Å; V285-V402 HydrophobicContact CG2-CG2 4.11Å
286I92.1Very high92.7Very high17 Ų1745.8 Ų45.89%0.08724%0.239CC..EExtended strand (participates in β ladder)trans-102.1127.1178.3-46.5179.6000109.2F401 F403 T414 L417I286-F401 PolarHBondContact N-O 3.4Å; I286-F401 PolarHBondContact O-N 3.34Å; I286-F403 HydrophobicContact CB-CE2 4.36Å; I286-F403 HydrophobicContact CD1-CD2 3.63Å; I286-F403 HydrophobicContact CD1-CE2 3.64Å; I286-F403 HydrophobicContact CG1-CD2 3.92Å; I286-F403 HydrophobicContact CG1-CE2 4.13Å; I286-T414 HydrophobicContact CD1-CG2 4.12Å; I286-T414 VanDerWaalsContact CD1-OG1 3.25Å; I286-T414 WeakPolarHBondContact CD1-OG1 3.47Å; I286-L417 HydrophobicContact CB-CD2 4.02Å; I286-L417 HydrophobicContact CD1-CD2 4.04Å; I286-L417 HydrophobicContact CG2-CD2 3.74Å
287Q90.8Very high92.5Very high61 Ų6145.2 Ų45.229%0.28524%0.24SC..EExtended strand (participates in β ladder)trans-88.2119.7-176.5-68-62.7-24.200111.6W395 M398Q287-W395 HydrophobicContact CG-CE3 4.38Å; Q287-W395 HydrophobicContact CG-CZ3 3.69Å; Q287-M398 HydrophobicContact CB-CB 4.4Å
288V91.8Very high92.3Very high0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans-110.4125.2-178.4176.70000110.4R290 V293 V296 V399 F401 L417 L421V288-R290 PolarHBondContact O-N 3.21Å; V288-V293 HydrophobicContact CB-CG2 4.18Å; V288-V293 HydrophobicContact CG1-CB 4.43Å; V288-V293 HydrophobicContact CG1-CG2 3.64Å; V288-V296 HydrophobicContact CG1-CG2 4.09Å; V288-V399 PolarHBondContact N-O 3.25Å; V288-V399 PolarHBondContact O-N 3.36Å; V288-F401 HydrophobicContact CB-CD1 3.8Å; V288-F401 HydrophobicContact CB-CE1 3.7Å; V288-F401 HydrophobicContact CB-CZ 4.32Å; V288-F401 HydrophobicContact CG1-CE1 4.07Å; V288-F401 HydrophobicContact CG1-CZ 4.3Å; V288-F401 HydrophobicContact CG2-CB 4.33Å; V288-F401 HydrophobicContact CG2-CD1 3.52Å; V288-F401 HydrophobicContact CG2-CD2 4.14Å; V288-F401 HydrophobicContact CG2-CE1 3.75Å; V288-F401 HydrophobicContact CG2-CE2 4.33Å; V288-F401 HydrophobicContact CG2-CG 3.74Å; V288-F401 HydrophobicContact CG2-CZ 4.14Å; V288-L417 HydrophobicContact CG2-CD1 4.4Å; V288-L417 HydrophobicContact CG2-CD2 4.05Å; V288-L421 HydrophobicContact CG1-CD2 4.09Å
289P91.2Very high92.2Very high22 Ų2250 Ų5014%0.14326%0.262CS..EExtended strand (participates in β ladder)trans-56.3129.1174.9-2735.2000112.5N291 L292 V293 M398P289-N291 WeakPolarHBondContact CB-OD1 3.29Å; P289-N291 PolarHBondContact O-N 3.24Å; P289-N291 VanDerWaalsContact O-N 3.12Å; P289-L292 HydrophobicContact CB-CB 4.49Å; P289-L292 HydrophobicContact CB-CD1 4.36Å; P289-L292 HydrophobicContact CB-CG 4.35Å; P289-L292 HydrophobicContact CG-CD1 4.36Å; P289-L292 WeakPolarHBondContact O-CA 3.3Å; P289-L292 WeakPolarHBondContact O-CB 3.43Å; P289-L292 PolarHBondContact O-N 3.09Å; P289-V293 PolarHBondContact O-N 3.02Å; P289-M398 HydrophobicContact CB-SD 4.26Å; P289-M398 HydrophobicContact CG-CE 4.26Å; P289-M398 HydrophobicContact CG-SD 3.86Å
290R88.7Confident91.8Very high159 Ų15957.6 Ų57.660%0.630%0.303SS*.Hα-helixtrans-57.2-30-172.7-171.5169.4177.4164.7-3.9113.5V288 L292 E321 G397 V399V288-R290 PolarHBondContact O-N 3.21Å; R290-L292 VanDerWaalsContact C-N 3.32Å; R290-E321 IonicContact NH1-OE2 3.09Å; R290-E321 PolarHBondContact NH1-OE2 3.13Å; R290-E321 VanDerWaalsContact NH1-OE2 3.13Å; R290-G397 VanDerWaalsContact CB-O 3.23Å; R290-G397 WeakPolarHBondContact CB-O 2.93Å; R290-G397 PolarHBondContact N-O 3.39Å; R290-V399 HydrophobicContact CB-CG2 3.98Å; R290-V399 HydrophobicContact CG-CG2 4.06Å
291N87.9Confident91.6Very high120 Ų12057.6 Ų57.664%0.64231%0.309SS*.Hα-helixtrans-72.1-20.4173.164.9-37.5000114P289P289-N291 WeakPolarHBondContact CB-OD1 3.29Å; P289-N291 PolarHBondContact O-N 3.24Å; P289-N291 VanDerWaalsContact O-N 3.12Å
292L90.1Very high91.4Very high5 Ų564.1 Ų64.13%0.02634%0.337CS..Hα-helixtrans-102-21.5178.5-60.4-176.9000113.3P289 R290 G294 K295 V296 L421 L424 K425P289-L292 HydrophobicContact CB-CB 4.49Å; P289-L292 HydrophobicContact CB-CD1 4.36Å; P289-L292 HydrophobicContact CB-CG 4.35Å; P289-L292 HydrophobicContact CG-CD1 4.36Å; P289-L292 WeakPolarHBondContact O-CA 3.3Å; P289-L292 WeakPolarHBondContact O-CB 3.43Å; P289-L292 PolarHBondContact O-N 3.09Å; R290-L292 VanDerWaalsContact C-N 3.32Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 2.81Å; L292-K295 HydrophobicContact CD2-CD 4.18Å; L292-K295 WeakPolarHBondContact O-CA 3.33Å; L292-K295 WeakPolarHBondContact O-CB 3.44Å; L292-K295 PolarHBondContact O-N 3.04Å; L292-V296 HydrophobicContact CB-CG2 4.43Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 3.45Å; L292-L421 HydrophobicContact CB-CD2 4.27Å; L292-L421 HydrophobicContact CD1-CD2 4.05Å; L292-L424 HydrophobicContact CB-CD1 4.45Å; L292-L424 HydrophobicContact CD2-CB 4.21Å; L292-L424 HydrophobicContact CD2-CD1 4.49Å; L292-K425 HydrophobicContact CD1-CG 4.15Å
293V90.3Very high91.3Very high19 Ų1965.1 Ų65.112%0.11534%0.339CS..Hα-helixtrans-44.1-51.4179.5171.40000112.9V288 P289 K295 V296 I297 V399 F401V288-V293 HydrophobicContact CB-CG2 4.18Å; V288-V293 HydrophobicContact CG1-CB 4.43Å; V288-V293 HydrophobicContact CG1-CG2 3.64Å; P289-V293 PolarHBondContact O-N 3.02Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 3.47Å; V293-V296 PolarHBondContact O-N 3.02Å; V293-I297 HydrophobicContact CG1-CD1 3.58Å; V293-I297 HydrophobicContact CG1-CG1 4.3Å; V293-I297 WeakPolarHBondContact O-CB 3.42Å; V293-I297 VanDerWaalsContact O-CG1 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.47Å; V293-I297 PolarHBondContact O-N 2.79Å; V293-V399 HydrophobicContact CG2-CB 3.71Å; V293-V399 HydrophobicContact CG2-CG1 4.21Å; V293-V399 HydrophobicContact CG2-CG2 3.78Å; V293-F401 HydrophobicContact CG1-CE1 4.16Å; V293-F401 HydrophobicContact CG1-CZ 4.13Å; V293-F401 HydrophobicContact CG2-CE1 4.07Å
294G89.4Confident91.2Very high58 Ų5863.1 Ų63.160%0.59833%0.33SS*.Hα-helixtrans-64.6-27.1-179.600000114.3L292 G298L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 2.81Å; G294-G298 PolarHBondContact O-N 2.8Å
295K90.1Very high91.2Very high75 Ų7563.6 Ų63.633%0.32633%0.33SS..Hα-helixtrans-78.2-43.2175.1-57.6-178.5-170174.80110.9L292 V293 G298 L424 D428L292-K295 HydrophobicContact CD2-CD 4.18Å; L292-K295 WeakPolarHBondContact O-CA 3.33Å; L292-K295 WeakPolarHBondContact O-CB 3.44Å; L292-K295 PolarHBondContact O-N 3.04Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 3.47Å; K295-G298 WeakPolarHBondContact O-CA 3.34Å; K295-G298 PolarHBondContact O-N 2.88Å; K295-G298 VanDerWaalsContact O-N 3.14Å; K295-L424 HydrophobicContact CB-CD1 3.59Å; K295-L424 HydrophobicContact CB-CD2 3.92Å; K295-L424 HydrophobicContact CB-CG 4.42Å; K295-L424 HydrophobicContact CD-CD1 4.41Å; K295-L424 HydrophobicContact CD-CD2 3.97Å; K295-D428 IonicContact NZ-OD1 2.74Å; K295-D428 PolarHBondContact NZ-OD1 2.77Å; K295-D428 IonicContact NZ-OD2 3.18Å; K295-D428 PolarHBondContact NZ-OD2 2.79Å
296V92.1Very high91.2Very high0 Ų064.6 Ų64.60%033%0.33CS..Hα-helixtrans-63.2-43.8177.9170.80000112.4V288 L292 V293 G298 F401 L417 L421 L424V288-V296 HydrophobicContact CG1-CG2 4.09Å; L292-V296 HydrophobicContact CB-CG2 4.43Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 3.45Å; V293-V296 PolarHBondContact O-N 3.02Å; V296-G298 VanDerWaalsContact C-N 3.25Å; V296-G298 PolarHBondContact O-N 2.94Å; V296-F401 HydrophobicContact CG1-CE2 3.78Å; V296-F401 HydrophobicContact CG1-CZ 4.13Å; V296-L417 HydrophobicContact CG1-CD1 3.41Å; V296-L417 VanDerWaalsContact CG1-CD1 3.41Å; V296-L417 HydrophobicContact CG2-CD1 4.44Å; V296-L421 HydrophobicContact CG2-CD2 3.56Å; V296-L421 HydrophobicContact CG2-CG 4.4Å; V296-L424 HydrophobicContact CG2-CD1 3.82Å
297I91.7Very high91.4Very high47 Ų4764.2 Ų64.224%0.24133%0.328CS..Hα-helixtrans-61.5-40.8172.7-66.8170.3000109.8V293 G301 L303 I304 I318 F401V293-I297 HydrophobicContact CG1-CD1 3.58Å; V293-I297 HydrophobicContact CG1-CG1 4.3Å; V293-I297 WeakPolarHBondContact O-CB 3.42Å; V293-I297 VanDerWaalsContact O-CG1 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.47Å; V293-I297 PolarHBondContact O-N 2.79Å; I297-G301 CarbonylContact O-C 3.55Å; I297-G301 VanDerWaalsContact O-CA 3.22Å; I297-G301 WeakPolarHBondContact O-CA 3.47Å; I297-L303 PolarHBondContact O-N 2.81Å; I297-I304 HydrophobicContact CB-CG2 4.42Å; I297-I304 HydrophobicContact CG2-CG2 4.19Å; I297-I304 PolarHBondContact O-N 3.13Å; I297-I318 HydrophobicContact CD1-CD1 3.61Å; I297-I318 HydrophobicContact CG1-CD1 3.6Å; I297-F401 HydrophobicContact CG1-CE2 4.45Å; I297-F401 HydrophobicContact CG1-CZ 4.1Å
298G90.8Very high91.6Very high20 Ų2061.9 Ų61.921%0.20632%0.318CS..  trans72.1176.7-177.100000113G294 K295 V296 N300 G301G294-G298 PolarHBondContact O-N 2.8Å; K295-G298 WeakPolarHBondContact O-CA 3.34Å; K295-G298 PolarHBondContact O-N 2.88Å; K295-G298 VanDerWaalsContact O-N 3.14Å; V296-G298 VanDerWaalsContact C-N 3.25Å; V296-G298 PolarHBondContact O-N 2.94Å; G298-N300 PolarHBondContact O-N 3.21Å; G298-N300 VanDerWaalsContact O-N 3.14Å; G298-G301 PolarHBondContact O-N 2.93Å; G298-G301 VanDerWaalsContact O-N 3.13Å
299K90.9Very high91.7Very high183 Ų18367.2 Ų67.280%0.79635%0.346SS*.G310 helixtrans-61119.3-178.3-64.3179.8-178.61780110G301 K302K299-G301 PolarHBondContact O-N 3.22Å; K299-K302 WeakPolarHBondContact O-CB 3.32Å; K299-K302 VanDerWaalsContact O-CG 3.31Å; K299-K302 WeakPolarHBondContact O-CG 3.44Å; K299-K302 PolarHBondContact O-N 3.22Å
300N88.2Confident91.8Very high159 Ų15972.5 Ų72.585%0.8537%0.367SS*.G310 helixtrans56.629.7-177.4-52.71000114.2G298 K302G298-N300 PolarHBondContact O-N 3.21Å; G298-N300 VanDerWaalsContact O-N 3.14Å; N300-K302 PolarHBondContact O-N 3.08Å
301G91Very high92.1Very high20 Ų2065.1 Ų65.121%0.20634%0.34CS..G310 helixtrans74.94.4-179.600000115.2I297 G298 K299 L303 I304 Q305I297-G301 CarbonylContact O-C 3.55Å; I297-G301 VanDerWaalsContact O-CA 3.22Å; I297-G301 WeakPolarHBondContact O-CA 3.47Å; G298-G301 PolarHBondContact O-N 2.93Å; G298-G301 VanDerWaalsContact O-N 3.13Å; K299-G301 PolarHBondContact O-N 3.22Å; G301-L303 VanDerWaalsContact C-N 3.27Å; G301-L303 PolarHBondContact O-N 2.96Å; G301-I304 VanDerWaalsContact O-CG2 3.27Å; G301-I304 WeakPolarHBondContact O-CG2 3.38Å; G301-I304 PolarHBondContact O-N 3.46Å; G301-Q305 WeakPolarHBondContact O-CB 3.23Å; G301-Q305 PolarHBondContact O-N 3.27Å
302K92.9Very high92.4Very high155 Ų15561.7 Ų61.767%0.67433%0.333SS*.Hα-helixtrans-59.4-34.8-174.1-73.2-176.8176.6-1680114K299 N300 E306K299-K302 WeakPolarHBondContact O-CB 3.32Å; K299-K302 VanDerWaalsContact O-CG 3.31Å; K299-K302 WeakPolarHBondContact O-CG 3.44Å; K299-K302 PolarHBondContact O-N 3.22Å; N300-K302 PolarHBondContact O-N 3.08Å; K302-E306 WeakPolarHBondContact O-CB 3.21Å; K302-E306 PolarHBondContact O-N 3.2Å
303L93.1Very high92.6Very high40 Ų4061.8 Ų61.821%0.20933%0.334CS..Hα-helixtrans-79.2-43-175.3-177.766.5000111.5I297 G301 Q305 E306 I307 H420I297-L303 PolarHBondContact O-N 2.81Å; G301-L303 VanDerWaalsContact C-N 3.27Å; G301-L303 PolarHBondContact O-N 2.96Å; L303-Q305 VanDerWaalsContact C-N 3.26Å; L303-Q305 PolarHBondContact O-N 3.14Å; L303-E306 WeakPolarHBondContact O-CB 3.39Å; L303-E306 PolarHBondContact O-N 3.39Å; L303-E306 VanDerWaalsContact O-N 3.13Å; L303-I307 PolarHBondContact O-N 3.12Å; L303-H420 VanDerWaalsContact CD2-CE1 3.45Å; L303-H420 WeakPolarHBondContact CD2-CE1 3.45Å; L303-H420 VanDerWaalsContact CD2-NE2 3.26Å; L303-H420 WeakPolarHBondContact CD2-NE2 3.47Å
304I94Very high92.8Very high12 Ų1264.8 Ų64.86%0.06235%0.352CS..Hα-helixtrans-66-33.3173.8-17264000111.2I297 G301 I307 V308 V316 F401 F403I297-I304 HydrophobicContact CB-CG2 4.42Å; I297-I304 HydrophobicContact CG2-CG2 4.19Å; I297-I304 PolarHBondContact O-N 3.13Å; G301-I304 VanDerWaalsContact O-CG2 3.27Å; G301-I304 WeakPolarHBondContact O-CG2 3.38Å; G301-I304 PolarHBondContact O-N 3.46Å; I304-I307 HydrophobicContact CD1-CB 4.4Å; I304-I307 HydrophobicContact CD1-CD1 4.27Å; I304-I307 PolarHBondContact O-N 2.9Å; I304-V308 WeakPolarHBondContact O-CG2 3.39Å; I304-V308 PolarHBondContact O-N 2.84Å; I304-V316 HydrophobicContact CD1-CG1 4.49Å; I304-V316 HydrophobicContact CG1-CG1 3.85Å; I304-F401 HydrophobicContact CD1-CD2 4Å; I304-F401 HydrophobicContact CD1-CE2 3.96Å; I304-F401 HydrophobicContact CG1-CE2 4.33Å; I304-F403 HydrophobicContact CD1-CE1 4.41Å; I304-F403 HydrophobicContact CD1-CZ 4.02Å
305Q94.4Very high92.9Very high98 Ų9866.6 Ų66.646%0.45834%0.341SS..Hα-helixtrans-63.2-42.1169.7-169.163.152.700111.7G301 L303 I307 V308 D309G301-Q305 WeakPolarHBondContact O-CB 3.23Å; G301-Q305 PolarHBondContact O-N 3.27Å; L303-Q305 VanDerWaalsContact C-N 3.26Å; L303-Q305 PolarHBondContact O-N 3.14Å; Q305-I307 VanDerWaalsContact C-N 3.29Å; Q305-I307 PolarHBondContact O-N 2.89Å; Q305-V308 WeakPolarHBondContact O-CB 3.4Å; Q305-V308 PolarHBondContact O-N 2.63Å; Q305-V308 VanDerWaalsContact O-N 3.13Å; Q305-D309 PolarHBondContact NE2-OD1 3.3Å; Q305-D309 WeakPolarHBondContact O-CB 3.42Å; Q305-D309 PolarHBondContact O-N 2.64Å
306E94.5Very high93.2Very high87 Ų8764.8 Ų64.841%0.40734%0.336SS..Hα-helixtrans-61.3-36.1175-170.6-174.9157.100112.4K302 L303 K310K302-E306 WeakPolarHBondContact O-CB 3.21Å; K302-E306 PolarHBondContact O-N 3.2Å; L303-E306 WeakPolarHBondContact O-CB 3.39Å; L303-E306 PolarHBondContact O-N 3.39Å; L303-E306 VanDerWaalsContact O-N 3.13Å; E306-K310 HydrophobicContact CG-CD 4.08Å; E306-K310 VanDerWaalsContact O-CB 3.27Å; E306-K310 WeakPolarHBondContact O-CB 3.4Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.24Å; E306-K310 PolarHBondContact O-N 3.07Å; E306-K310 WeakPolarHBondContact OE1-CE 3.23Å; E306-K310 IonicContact OE1-NZ 2.62Å; E306-K310 PolarHBondContact OE1-NZ 2.87Å
307I94.8Very high93.2Very high9 Ų969.8 Ų69.85%0.04636%0.355CS..Hα-helixtrans-65.4-45172.2-67169.8000110.6L303 I304 Q305 K310 S311 A413 L416 L417L303-I307 PolarHBondContact O-N 3.12Å; I304-I307 HydrophobicContact CD1-CB 4.4Å; I304-I307 HydrophobicContact CD1-CD1 4.27Å; I304-I307 PolarHBondContact O-N 2.9Å; Q305-I307 VanDerWaalsContact C-N 3.29Å; Q305-I307 PolarHBondContact O-N 2.89Å; I307-K310 PolarHBondContact O-N 3Å; I307-S311 VanDerWaalsContact O-CB 3.25Å; I307-S311 WeakPolarHBondContact O-CB 2.99Å; I307-S311 PolarHBondContact O-N 2.81Å; I307-S311 PolarHBondContact O-OG 3.12Å; I307-A413 HydrophobicContact CG2-CB 4.47Å; I307-L416 HydrophobicContact CG1-CB 4.39Å; I307-L416 HydrophobicContact CG2-CB 4.06Å; I307-L416 HydrophobicContact CG2-CD1 4.48Å; I307-L417 HydrophobicContact CD1-CD1 4.3Å
308V94.8Very high93.2Very high12 Ų1270.8 Ų70.87%0.07336%0.36CS..Hα-helixtrans-60.4-50.7176.9167.40000111I304 Q305 K310 S311 G312 V313 V316 F403I304-V308 WeakPolarHBondContact O-CG2 3.39Å; I304-V308 PolarHBondContact O-N 2.84Å; Q305-V308 WeakPolarHBondContact O-CB 3.4Å; Q305-V308 PolarHBondContact O-N 2.63Å; Q305-V308 VanDerWaalsContact O-N 3.13Å; V308-K310 VanDerWaalsContact C-N 3.33Å; V308-K310 PolarHBondContact O-N 2.81Å; V308-S311 PolarHBondContact O-N 2.99Å; V308-S311 PolarHBondContact O-OG 2.89Å; V308-S311 VanDerWaalsContact O-OG 3.09Å; V308-G312 PolarHBondContact O-N 3Å; V308-V313 HydrophobicContact CB-CG2 4.02Å; V308-V313 HydrophobicContact CG1-CG2 3.87Å; V308-V313 HydrophobicContact CG2-CG2 3.83Å; V308-V316 HydrophobicContact CG2-CB 4.07Å; V308-V316 HydrophobicContact CG2-CG1 3.73Å; V308-F403 HydrophobicContact CG2-CE1 4.48Å
309D93.9Very high93Very high112 Ų11274.5 Ų74.560%0.59937%0.372SS*.Hα-helixtrans-62.5-37.9-178.5-64.5-13.7000112.2Q305Q305-D309 PolarHBondContact NE2-OD1 3.3Å; Q305-D309 WeakPolarHBondContact O-CB 3.42Å; Q305-D309 PolarHBondContact O-N 2.64Å
310K95Very high91.9Very high133 Ų13369.5 Ų69.558%0.57837%0.365SS*.Hα-helixtrans-78.4-30.2178.6-75.8176172.3174.80114.1E306 I307 V308 L416E306-K310 HydrophobicContact CG-CD 4.08Å; E306-K310 VanDerWaalsContact O-CB 3.27Å; E306-K310 WeakPolarHBondContact O-CB 3.4Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.24Å; E306-K310 PolarHBondContact O-N 3.07Å; E306-K310 WeakPolarHBondContact OE1-CE 3.23Å; E306-K310 IonicContact OE1-NZ 2.62Å; E306-K310 PolarHBondContact OE1-NZ 2.87Å; I307-K310 PolarHBondContact O-N 3Å; V308-K310 VanDerWaalsContact C-N 3.33Å; V308-K310 PolarHBondContact O-N 2.81Å; K310-L416 HydrophobicContact CB-CD1 3.62Å
311S95.1Very high90.5Very high4 Ų467 Ų673%0.02835%0.348CS..Hα-helixtrans-85.5-25.1179.856.50000113.4I307 V308 V313 S409I307-S311 VanDerWaalsContact O-CB 3.25Å; I307-S311 WeakPolarHBondContact O-CB 2.99Å; I307-S311 PolarHBondContact O-N 2.81Å; I307-S311 PolarHBondContact O-OG 3.12Å; V308-S311 PolarHBondContact O-N 2.99Å; V308-S311 PolarHBondContact O-OG 2.89Å; V308-S311 VanDerWaalsContact O-OG 3.09Å; S311-V313 VanDerWaalsContact C-N 3.28Å; S311-V313 WeakPolarHBondContact OG-CG2 3.44Å; S311-S409 WeakPolarHBondContact O-CA 3.31Å; S311-S409 VanDerWaalsContact O-CB 3.25Å; S311-S409 WeakPolarHBondContact O-CB 3.23Å; S311-S409 PolarHBondContact O-OG 2.8Å
312G93.3Very high88.1Confident48 Ų4872.7 Ų72.750%0.49537%0.374SS..THydrogen-bonded Turntrans76.412.5-176.100000114.1V308 S409V308-G312 PolarHBondContact O-N 3Å; G312-S409 PolarHBondContact O-OG 2.91Å
313V94.5Very high86Confident7 Ų774.6 Ų74.64%0.04239%0.385CS..  trans-61.4144.6169.7-63.60000110.2V308 S311 F403 S409 I410 A413V308-V313 HydrophobicContact CB-CG2 4.02Å; V308-V313 HydrophobicContact CG1-CG2 3.87Å; V308-V313 HydrophobicContact CG2-CG2 3.83Å; S311-V313 VanDerWaalsContact C-N 3.28Å; S311-V313 WeakPolarHBondContact OG-CG2 3.44Å; V313-F403 HydrophobicContact CB-CD1 4.42Å; V313-F403 HydrophobicContact CG1-CD1 4.3Å; V313-F403 HydrophobicContact CG2-CD1 3.91Å; V313-F403 HydrophobicContact CG2-CE1 4.41Å; V313-S409 VanDerWaalsContact CG1-C 3.49Å; V313-S409 VanDerWaalsContact CG1-O 3.29Å; V313-S409 WeakPolarHBondContact CG1-O 3.48Å; V313-I410 HydrophobicContact CG1-CG1 4.21Å; V313-A413 HydrophobicContact CG1-CB 3.81Å
314V93.7Very high83.7Confident82 Ų8280.9 Ų80.950%0.49741%0.411SS..SBendtrans-69.2-36.9-177.1178.30000111.2F281 V404F281-V314 HydrophobicContact CE1-CG2 3.95Å; V314-V404 WeakPolarHBondContact CB-O 3.37Å; V314-V404 PolarHBondContact N-O 2.78Å
315R93.2Very high80.9Confident95 Ų9587.7 Ų87.736%0.35845%0.447SS..EExtended strand (participates in β ladder)trans-163161.917759.7176.7-172.4-150.3-4.4111.5E283 R317 V404E283-R315 IonicContact OE2-NH2 3.11Å; R315-R317 VanDerWaalsContact CZ-CZ 3.5Å; R315-R317 VanDerWaalsContact NH2-CZ 3.3Å; R315-V404 HydrophobicContact CG-CB 3.82Å; R315-V404 HydrophobicContact CG-CG2 4.09Å; R315-V404 PolarHBondContact N-O 2.92Å; R315-V404 PolarHBondContact O-N 2.75Å
316V94.9Very high78Confident38 Ų3889.1 Ų89.123%0.2346%0.462CS..EExtended strand (participates in β ladder)trans-119.5142.7161.565.70000109.2I304 V308 F401 V402 F403I304-V316 HydrophobicContact CD1-CG1 4.49Å; I304-V316 HydrophobicContact CG1-CG1 3.85Å; V308-V316 HydrophobicContact CG2-CB 4.07Å; V308-V316 HydrophobicContact CG2-CG1 3.73Å; V316-F401 HydrophobicContact CG2-CB 4.37Å; V316-F401 HydrophobicContact CG2-CD2 4.25Å; V316-V402 CarbonylContact C-O 3.57Å; V316-V402 WeakPolarHBondContact CA-O 3.43Å; V316-F403 HydrophobicContact CB-CD1 3.85Å; V316-F403 HydrophobicContact CB-CE1 3.73Å; V316-F403 HydrophobicContact CB-CZ 4.3Å; V316-F403 HydrophobicContact CG2-CD1 3.85Å; V316-F403 HydrophobicContact CG2-CD2 4.21Å; V316-F403 HydrophobicContact CG2-CE1 3.57Å; V316-F403 HydrophobicContact CG2-CE2 3.94Å; V316-F403 HydrophobicContact CG2-CG 4.18Å; V316-F403 HydrophobicContact CG2-CZ 3.64Å
317R93Very high75.2Confident105 Ų10590.3 Ų90.340%0.39648%0.478SS..EExtended strand (participates in β ladder)trans-118.2142.6167.1-61163.1162.6171.1-14.6107.8E283 R315 F401 V402E283-R317 IonicContact OE1-NH1 3.13Å; E283-R317 IonicContact OE2-NH1 3.73Å; E283-R317 PolarHBondContact OE2-NH1 3.46Å; R315-R317 VanDerWaalsContact CZ-CZ 3.5Å; R315-R317 VanDerWaalsContact NH2-CZ 3.3Å; R317-F401 CarbonylContact O-C 3.21Å; R317-F401 WeakPolarHBondContact O-CA 3.5Å; R317-V402 HydrophobicContact CB-CB 4.23Å; R317-V402 PolarHBondContact N-O 3.26Å; R317-V402 PolarHBondContact O-N 2.94Å
318I91.5Very high72.2Confident67 Ų6798.5 Ų98.534%0.34452%0.516SS..EExtended strand (participates in β ladder)trans-113.3110.7176.1-57.6175000106.6I297 A320 V399 F401I297-I318 HydrophobicContact CD1-CD1 3.61Å; I297-I318 HydrophobicContact CG1-CD1 3.6Å; I318-A320 PolarHBondContact O-N 2.96Å; I318-V399 HydrophobicContact CG2-CG1 3.79Å; I318-F401 HydrophobicContact CB-CE1 4.48Å; I318-F401 HydrophobicContact CD1-CD2 4.24Å; I318-F401 HydrophobicContact CD1-CE1 4.16Å; I318-F401 HydrophobicContact CD1-CE2 3.64Å; I318-F401 HydrophobicContact CD1-CZ 3.6Å; I318-F401 HydrophobicContact CG1-CD1 4.19Å; I318-F401 HydrophobicContact CG1-CD2 4.03Å; I318-F401 HydrophobicContact CG1-CE1 4.08Å; I318-F401 HydrophobicContact CG1-CE2 3.92Å; I318-F401 HydrophobicContact CG1-CG 4.16Å; I318-F401 HydrophobicContact CG1-CZ 3.96Å; I318-F401 HydrophobicContact CG2-CD1 4.04Å; I318-F401 HydrophobicContact CG2-CE1 3.68Å; I318-F401 HydrophobicContact CG2-CZ 4.2Å
319E86.5Confident69.3Low99 Ų99106.9 Ų106.946%0.46355%0.554SS.*  trans-90.198.1-179.8-75.8179.4-178.100108.4V399 P400 V402E319-V399 WeakPolarHBondContact O-CG1 3.36Å; E319-P400 HydrophobicContact CB-CB 4.31Å; E319-P400 HydrophobicContact CB-CG 3.88Å; E319-P400 PolarHBondContact N-O 2.96Å; E319-P400 WeakPolarHBondContact O-CD 3.46Å; E319-V402 HydrophobicContact CG-CG2 4.16Å
320A67.9Low66.4Low78 Ų78109.8 Ų109.865%0.64556%0.564SS**  trans-69134.9165.600000108.9I318 N322I318-A320 PolarHBondContact O-N 2.96Å; A320-N322 PolarHBondContact O-N 2.85Å
321E57.7Low63.3Low106 Ų106111.4 Ų111.450%0.49557%0.573SS.*  trans-50.3108.3172.8-70.2175.712300110R290R290-E321 IonicContact NH1-OE2 3.09Å; R290-E321 PolarHBondContact NH1-OE2 3.13Å; R290-E321 VanDerWaalsContact NH1-OE2 3.13Å
322N41.7Very low60.4Low140 Ų140118.2 Ų118.275%0.74961%0.608SS**  trans-97.1107.8173.3-150.316.7000105.6A320 K324A320-N322 PolarHBondContact O-N 2.85Å; N322-K324 PolarHBondContact O-N 3.18Å
323E48.2Very low57.5Low194 Ų194122.8 Ų122.891%0.90762%0.618SS**SBendtrans-66.523-177.2-65.5-176.5145.600114
324K45.9Very low54.7Low173 Ų173127.7 Ų127.775%0.75265%0.65SS**SBendtrans-132.664.7179.6-66.2-171.2179-176.80110.9N322N322-K324 PolarHBondContact O-N 3.18Å
325N35.2Very low52.3Low154 Ų154130 Ų13082%0.82467%0.667SS**  trans-176.772.9137.6-91.9-13.1000109.9
326V33.6Very low49.3Very low128 Ų128133.6 Ų133.678%0.77669%0.694SS**PPolyproline II helixtrans-84.3118146.5-177.10000105Q328V326-Q328 PolarHBondContact O-N 3.06Å; V326-Q328 VanDerWaalsContact O-N 3.15Å
327P35.3Very low46.3Very low113 Ų113137.3 Ų137.373%0.73472%0.721SS**PPolyproline II helixtrans-60.9118.3164.1-13.227.9000106.5E329P327-E329 PolarHBondContact O-N 2.71Å; P327-E329 VanDerWaalsContact O-N 3.09Å
328Q30.7Very low43.3Very low181 Ų181140.3 Ų140.385%0.84674%0.744SS**PPolyproline II helixtrans-62.2116.4166.8-73.7-178-67.400106.8V326 E330V326-Q328 PolarHBondContact O-N 3.06Å; V326-Q328 VanDerWaalsContact O-N 3.15Å; Q328-E330 PolarHBondContact O-N 2.7Å; Q328-E330 VanDerWaalsContact O-N 3.1Å
329E35.1Very low40.7Very low188 Ų188142.7 Ų142.788%0.87976%0.764SS**  trans-60.7111.8159.5-69.5-178136.700106.4P327 E331P327-E329 PolarHBondContact O-N 2.71Å; P327-E329 VanDerWaalsContact O-N 3.09Å; E329-E331 VanDerWaalsContact C-N 3.26Å; E329-E331 PolarHBondContact O-N 3.28Å
330E32.2Very low37.8Very low172 Ų172142.6 Ų142.680%0.80477%0.774SS**  trans-6891.7168.5-75.6-168152.700108.1Q328 I332Q328-E330 PolarHBondContact O-N 2.7Å; Q328-E330 VanDerWaalsContact O-N 3.1Å; E330-I332 VanDerWaalsContact C-N 3.25Å; E330-I332 PolarHBondContact O-N 2.77Å
331E30.9Very low35.8Very low167 Ų167146.7 Ų146.778%0.7879%0.785SS**  trans-68.983.5172-168.6177.4-153.500109.3E329 M333E329-E331 VanDerWaalsContact C-N 3.26Å; E329-E331 PolarHBondContact O-N 3.28Å; E331-M333 VanDerWaalsContact C-N 3.25Å; E331-M333 HydrophobicContact CG-CG 4.16Å; E331-M333 PolarHBondContact O-N 3.09Å
332I32.3Very low34.4Very low148 Ų148148.7 Ų148.776%0.75980%0.799SS**  trans-71.983.8173-55.9177.7000108.7E330E330-I332 VanDerWaalsContact C-N 3.25Å; E330-I332 PolarHBondContact O-N 2.77Å
333M33.1Very low33.8Very low144 Ų144147.5 Ų147.571%0.70980%0.802SS**PPolyproline II helixtrans-70.8132.5165.2-70.3-167.474.400110.5E331E331-M333 VanDerWaalsContact C-N 3.25Å; E331-M333 HydrophobicContact CG-CG 4.16Å; E331-M333 PolarHBondContact O-N 3.09Å
334P37Very low32.9Very low110 Ų110149.2 Ų149.271%0.71480%0.8SS**PPolyproline II helixtrans-76.6153.617032.4-34.1000111.5
335P41.4Very low32.1Very low131 Ų131147 Ų14785%0.85180%0.801SS**PPolyproline II helixtrans-77.1146.4-174.430.4-35.1000114
336N31.8Very low31.7Very low170 Ų170142.9 Ų142.991%0.90980%0.795SS**PPolyproline II helixtrans-67.8139.5174.7-91.2-36.6000113.6
337S30.3Very low32.5Very low115 Ų115142.2 Ų142.280%0.80479%0.793SS**  trans-170.8119.6131.855.50000112.7
338L30.6Very low32.1Very low168 Ų168144.2 Ų144.288%0.8880%0.798SS**  trans-85157.9157.5-74167.7000109.2
339P36.6Very low32Very low118 Ų118139.8 Ų139.877%0.76679%0.792SS**  -140.7146.190.634.5-18.8000116.2
340S26.8Very low32.4Very low97 Ų97135.9 Ų135.968%0.67878%0.783SS**  trans13127.6144.4-44.30000120.6
341N25.9Very low32.4Very low163 Ų163135 Ų13587%0.87278%0.779SS**  -177169.791.7-105.8-35.9000116.3
342N27.8Very low32.4Very low148 Ų148133.4 Ų133.479%0.79177%0.772SS**  trans-75.5167.5-173.1-103.6-34.3000116.6
343S30.1Very low32.3Very low116 Ų116132.6 Ų132.681%0.81176%0.762SS**  trans75.5161.2152790000118.6
344R28.9Very low32.3Very low229 Ų229133.4 Ų133.486%0.86476%0.762SS**  cis-175.7156.7-32.6-176-170.1172173.7-2.5106.3
345V29.4Very low32Very low128 Ų128135 Ų13578%0.77676%0.76SS**  trans83.8137.8166.9-161.50000116.1
346G24.9Very low31.5Very low67 Ų67135.7 Ų135.769%0.69176%0.756SS**  trans-91.2-134.116900000112
347P51.2Low31.3Very low114 Ų114133 Ų13374%0.7474%0.741SS**  cis-136.3-159.48.142-22.1000114.7
348N28.2Very low31.3Very low154 Ų154135.6 Ų135.682%0.82474%0.744SS**  trans95.7109.8164.2-65.1-5.8000119.2
349A27.6Very low31.2Very low88 Ų88136.9 Ų136.973%0.72774%0.742SS**  trans-80.9-179.6152.200000109.8
350P42.4Very low30.8Very low107 Ų107140.8 Ų140.870%0.69575%0.75SS**  -134.8140.271.128.5-7.2000113.3
351E33.4Very low30.7Very low152 Ų152143.5 Ų143.571%0.7176%0.757SS**  84.1142.4104.3-68.7-168.5143.900115K353E351-K353 IonicContact OE1-NZ 2.69Å
352E30.3Very low30.6Very low135 Ų135141 Ų14163%0.63175%0.753SS**  cis-148.3141.1-4.5-112-160.6147.900108.7
353K31.3Very low30.5Very low130 Ų130138.9 Ų138.957%0.56575%0.745SS**  60.6143.285.8-64.4-178.7-131.3141.20113.4E351E351-K353 IonicContact OE1-NZ 2.69Å
354K33.2Very low30.3Very low161 Ų161141.4 Ų141.470%0.774%0.744SS**  cis-159.2149.63.9-110.1161.9173.9177.90108
355H29.7Very low30.1Very low144 Ų144139.7 Ų139.767%0.66774%0.743SS**  70.4140.874.2-125.1-69.7000111D357H355-D357 IonicContact CE1-OD2 3.74Å; H355-D357 PolarHBondContact CE1-OD2 3.2Å; H355-D357 IonicContact ND1-OD2 3.16Å; H355-D357 PolarHBondContact ND1-OD2 3.06Å
356L32Very low29.9Very low146 Ų146138.2 Ų138.276%0.76474%0.738SS**  cis-151154.343.1-78.9130.4000115.4
357D27.4Very low30Very low113 Ų113144.1 Ų144.160%0.60475%0.748SS**  trans-9.3151.5139.5-53.6-84.7000121.2H355H355-D357 IonicContact CE1-OD2 3.74Å; H355-D357 PolarHBondContact CE1-OD2 3.2Å; H355-D357 IonicContact ND1-OD2 3.16Å; H355-D357 PolarHBondContact ND1-OD2 3.06Å
358I29.7Very low29.2Very low169 Ų169144.1 Ų144.187%0.86775%0.748SS**  -168.7150.7109.3-95.5157000110.9
359K29.2Very low29.2Very low195 Ų195144.6 Ų144.685%0.84875%0.751SS**  trans-74.1152.2175.8-60.5168.4176.7173.70111.5
360E26.8Very low29.4Very low200 Ų200146.1 Ų146.194%0.93576%0.756SS**  trans-153.3167.8132.4-123.3168-14900112.7
361N24.7Very low28.8Very low154 Ų154147.2 Ų147.282%0.82476%0.761SS**  trans-129.2153-158.4-140.813.6000109.9
362S24.6Very low28.7Very low110 Ų110149.9 Ų149.977%0.76977%0.77SS**  trans72.7151.9165.1-124.70000115.7
363T25.1Very low28.7Very low104 Ų104150 Ų15064%0.63878%0.779SS**  cis-149.2167.318.543.40000112.9
364H26.5Very low28.5Very low169 Ų169152.2 Ų152.278%0.78279%0.792SS**  trans66.8149.7160.9-63-64.1000118
365F24.9Very low28.3Very low193 Ų193156 Ų15685%0.84680%0.802SS**  cis-141152.59.1-170-103.8000110.4
366S24.6Very low28.1Very low97 Ų97155.1 Ų155.168%0.67881%0.806SS**  trans-138.1140.9-171.744.80000112.3
367Q28Very low27.9Very low192 Ų192156.2 Ų156.290%0.89781%0.812SS**  trans-173.1160.8141.5-99.9-158.7100110.7
368P34.1Very low27.9Very low113 Ų113156.7 Ų156.773%0.73482%0.819SS**  trans-122.9162.4-131.141.4-31000116.5
369N27.5Very low27.9Very low165 Ų165153.2 Ų153.288%0.88282%0.815SS**  trans-90.1125.2169.9-91.2-26.7000112.9
370S32Very low28Very low119 Ų119149.3 Ų149.383%0.83281%0.812SS**  trans42120.3144.2-1520000121
371T30.3Very low28.1Very low130 Ų130144.9 Ų144.980%0.79880%0.804SS**  trans-73.5124.2173.835.50000113.3
372K31.4Very low28.4Very low208 Ų208143.3 Ų143.390%0.90480%0.8SS**  trans-91.9122.2152.6-85-174176.2178.50109.2Q374K372-Q374 PolarHBondContact O-N 2.99Å
373V29.7Very low28.7Very low137 Ų137144.7 Ų144.783%0.8380%0.803SS**  trans-69.9110.4179.6178.20000109.7
374Q26.9Very low29.1Very low177 Ų177144.4 Ų144.483%0.82781%0.811SS**  trans-84.1120.2173.6-161.3167.47.200108.3K372 V376K372-Q374 PolarHBondContact O-N 2.99Å; Q374-V376 PolarHBondContact O-N 3.39Å; Q374-V376 VanDerWaalsContact O-N 3.16Å
375R29.7Very low29.3Very low240 Ų240139.7 Ų139.791%0.90681%0.808SS**  trans-67.2114.2175.2-86.4-177.2172.8158.9-2.5109.2L377R375-L377 PolarHBondContact O-N 3.11Å
376V24.8Very low29.5Very low127 Ų127138.9 Ų138.977%0.7781%0.807SS**  trans-72.6120.6168.7176.80000108.5Q374 V378Q374-V376 PolarHBondContact O-N 3.39Å; Q374-V376 VanDerWaalsContact O-N 3.16Å; V376-V378 HydrophobicContact CG1-CG2 4.01Å
377L27.3Very low30.2Very low168 Ų168140.5 Ų140.588%0.8882%0.818SS**  trans-108119.2158.1-105.1165.7000107.3R375R375-L377 PolarHBondContact O-N 3.11Å
378V28.2Very low30.3Very low123 Ų123139.7 Ų139.775%0.74582%0.815SS**  trans-79.8122.4176.7179.30000108.4V376V376-V378 HydrophobicContact CG1-CG2 4.01Å
379A30.8Very low30.1Very low96 Ų96143.5 Ų143.579%0.79382%0.819SS**  trans-133.9129.6162.800000108.3
380S29.6Very low30.5Very low113 Ų113141.3 Ų141.379%0.7981%0.814SS**  trans-75.4167.1-176.5-63.40000112.9
381S29.2Very low30.6Very low107 Ų107142.1 Ų142.175%0.74881%0.805SS**  trans-42.8159.6172.950.70000115
382V30.9Very low31.1Very low122 Ų122143.2 Ų143.274%0.73981%0.805SS**  -165.1142.258.7172.50000112.5
383V30.6Very low31.5Very low139 Ų139139.5 Ų139.584%0.84279%0.789SS**  trans67.2144.9155.9169.90000122.4
384A33.5Very low32.3Very low98 Ų98136.4 Ų136.481%0.8178%0.778SS**  trans-62.6156.8-175.100000118.1
385G31Very low33.1Very low69 Ų69135.5 Ų135.571%0.71177%0.767SS**  trans159.5113.5159.900000114
386E29.5Very low34.3Very low176 Ų176131 Ų13182%0.82276%0.756SS**  trans56.3131.9156.8-59.1-172.5144.300121.3Q388E386-Q388 PolarHBondContact O-N 2.99Å; E386-Q388 VanDerWaalsContact O-N 3.12Å
387S39.9Very low36.7Very low132 Ų132126.3 Ų126.392%0.92373%0.733SS**  trans-76.493.9171.6-54.20000111.3
388Q29.8Very low39.6Very low175 Ų175121.4 Ų121.482%0.81871%0.707SS**PPolyproline II helixtrans-86.3130.9167.4-70-169.9-7.800111.7E386E386-Q388 PolarHBondContact O-N 2.99Å; E386-Q388 VanDerWaalsContact O-N 3.12Å
389K30.2Very low42.5Very low192 Ų192116.1 Ų116.184%0.83568%0.675SS**PPolyproline II helixtrans-56.1135.8168.8-155.2175.2-173.2-178.80108.3E391K389-E391 PolarHBondContact O-N 3.46Å
390P34.2Very low45.5Very low119 Ų119112.8 Ų112.877%0.77364%0.644SS**PPolyproline II helixtrans-59.1131.2-176.324.3-33.7000110.4L392P390-L392 PolarHBondContact O-N 2.93Å
391E36.2Very low48.6Very low136 Ų136107.4 Ų107.464%0.63661%0.607SS**  trans-71.3113.5-165.9-164.2-178.8-17000111.6K389 K393 A394K389-E391 PolarHBondContact O-N 3.46Å; E391-K393 HydrophobicContact CG-CB 4.04Å; E391-K393 HydrophobicContact CG-CG 4.17Å; E391-K393 PolarHBondContact O-N 3.33Å; E391-A394 PolarHBondContact O-N 3.22Å
392L39.5Very low51.7Low154 Ų154102.3 Ų102.381%0.80657%0.572SS**THydrogen-bonded Turntrans-63.59.9176.9-85.7161.2000114.7P390P390-L392 PolarHBondContact O-N 2.93Å
393K40.3Very low54.8Low129 Ų12996.5 Ų96.556%0.56154%0.536SS*.THydrogen-bonded Turntrans-101.5-14.7179.8-60.7-172-173.3162.30114.6E391 W395 Q396E391-K393 HydrophobicContact CG-CB 4.04Å; E391-K393 HydrophobicContact CG-CG 4.17Å; E391-K393 PolarHBondContact O-N 3.33Å; K393-W395 PolarHBondContact O-N 2.85Å; K393-W395 VanDerWaalsContact O-N 3.07Å; K393-Q396 WeakPolarHBondContact O-CB 3.39Å; K393-Q396 PolarHBondContact O-N 2.98Å
394A45.6Very low58Low72 Ų7289.9 Ų89.960%0.59550%0.496SS*.THydrogen-bonded Turntrans-62.4-19.3-176.600000114.5E391E391-A394 PolarHBondContact O-N 3.22Å
395W45.1Very low61Low158 Ų15885.3 Ų85.360%0.59846%0.458SS*.THydrogen-bonded Turntrans-93.6-12.5178.6-56.188.3000113.4Q287 K393 G397 M398Q287-W395 HydrophobicContact CG-CE3 4.38Å; Q287-W395 HydrophobicContact CG-CZ3 3.69Å; K393-W395 PolarHBondContact O-N 2.85Å; K393-W395 VanDerWaalsContact O-N 3.07Å; W395-G397 PolarHBondContact O-N 3.41Å; W395-M398 PolarHBondContact O-N 3.07Å
396Q53.4Low64.1Low147 Ų14783 Ų8369%0.68743%0.431SS*.THydrogen-bonded Turntrans-69.197.5-177.5-72.8179.3-32.500110.2K393K393-Q396 WeakPolarHBondContact O-CB 3.39Å; K393-Q396 PolarHBondContact O-N 2.98Å
397G76.8Confident67.2Low27 Ų2779.5 Ų79.528%0.27841%0.412SS..THydrogen-bonded Turntrans10315.8-173.200000115.2R290 W395R290-G397 VanDerWaalsContact CB-O 3.23Å; R290-G397 WeakPolarHBondContact CB-O 2.93Å; R290-G397 PolarHBondContact N-O 3.39Å; W395-G397 PolarHBondContact O-N 3.41Å
398M86.3Confident69.8Low66 Ų6677.5 Ų77.533%0.32539%0.391SS..EExtended strand (participates in β ladder)trans-98.8150.5160.7-65.6-64.2-175.400110.2Q287 P289 W395Q287-M398 HydrophobicContact CB-CB 4.4Å; P289-M398 HydrophobicContact CB-SD 4.26Å; P289-M398 HydrophobicContact CG-CE 4.26Å; P289-M398 HydrophobicContact CG-SD 3.86Å; W395-M398 PolarHBondContact O-N 3.07Å
399V89.9Confident72.9Confident12 Ų1270.1 Ų70.17%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-128.4119.6178.6178.50000109.1V288 R290 V293 I318 E319 F401V288-V399 PolarHBondContact N-O 3.25Å; V288-V399 PolarHBondContact O-N 3.36Å; R290-V399 HydrophobicContact CB-CG2 3.98Å; R290-V399 HydrophobicContact CG-CG2 4.06Å; V293-V399 HydrophobicContact CG2-CB 3.71Å; V293-V399 HydrophobicContact CG2-CG1 4.21Å; V293-V399 HydrophobicContact CG2-CG2 3.78Å; I318-V399 HydrophobicContact CG2-CG1 3.79Å; E319-V399 WeakPolarHBondContact O-CG1 3.36Å; V399-F401 HydrophobicContact CG1-CD1 4.41Å; V399-F401 HydrophobicContact CG1-CE1 4.19Å; V399-F401 PolarHBondContact O-N 2.84Å
400P93.4Very high76.1Confident25 Ų2561.2 Ų61.216%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-66.8123.8177.49.8-14.8000113.1V285 E319V285-P400 HydrophobicContact CG1-CB 3.43Å; V285-P400 VanDerWaalsContact CG1-CB 3.43Å; E319-P400 HydrophobicContact CB-CB 4.31Å; E319-P400 HydrophobicContact CB-CG 3.88Å; E319-P400 PolarHBondContact N-O 2.96Å; E319-P400 WeakPolarHBondContact O-CD 3.46Å
401F94.9Very high79Confident0 Ų058 Ų580%030%0.304CS..EExtended strand (participates in β ladder)trans-103.9107.3166.8-79.946.3000107.7I286 V288 V293 V296 I297 I304 V316 R317 I318 V399 F403I286-F401 PolarHBondContact N-O 3.4Å; I286-F401 PolarHBondContact O-N 3.34Å; V288-F401 HydrophobicContact CB-CD1 3.8Å; V288-F401 HydrophobicContact CB-CE1 3.7Å; V288-F401 HydrophobicContact CB-CZ 4.32Å; V288-F401 HydrophobicContact CG1-CE1 4.07Å; V288-F401 HydrophobicContact CG1-CZ 4.3Å; V288-F401 HydrophobicContact CG2-CB 4.33Å; V288-F401 HydrophobicContact CG2-CD1 3.52Å; V288-F401 HydrophobicContact CG2-CD2 4.14Å; V288-F401 HydrophobicContact CG2-CE1 3.75Å; V288-F401 HydrophobicContact CG2-CE2 4.33Å; V288-F401 HydrophobicContact CG2-CG 3.74Å; V288-F401 HydrophobicContact CG2-CZ 4.14Å; V293-F401 HydrophobicContact CG1-CE1 4.16Å; V293-F401 HydrophobicContact CG1-CZ 4.13Å; V293-F401 HydrophobicContact CG2-CE1 4.07Å; V296-F401 HydrophobicContact CG1-CE2 3.78Å; V296-F401 HydrophobicContact CG1-CZ 4.13Å; I297-F401 HydrophobicContact CG1-CE2 4.45Å; I297-F401 HydrophobicContact CG1-CZ 4.1Å; I304-F401 HydrophobicContact CD1-CD2 4Å; I304-F401 HydrophobicContact CD1-CE2 3.96Å; I304-F401 HydrophobicContact CG1-CE2 4.33Å; V316-F401 HydrophobicContact CG2-CB 4.37Å; V316-F401 HydrophobicContact CG2-CD2 4.25Å; R317-F401 CarbonylContact O-C 3.21Å; R317-F401 WeakPolarHBondContact O-CA 3.5Å; I318-F401 HydrophobicContact CB-CE1 4.48Å; I318-F401 HydrophobicContact CD1-CD2 4.24Å; I318-F401 HydrophobicContact CD1-CE1 4.16Å; I318-F401 HydrophobicContact CD1-CE2 3.64Å; I318-F401 HydrophobicContact CD1-CZ 3.6Å; I318-F401 HydrophobicContact CG1-CD1 4.19Å; I318-F401 HydrophobicContact CG1-CD2 4.03Å; I318-F401 HydrophobicContact CG1-CE1 4.08Å; I318-F401 HydrophobicContact CG1-CE2 3.92Å; I318-F401 HydrophobicContact CG1-CG 4.16Å; I318-F401 HydrophobicContact CG1-CZ 3.96Å; I318-F401 HydrophobicContact CG2-CD1 4.04Å; I318-F401 HydrophobicContact CG2-CE1 3.68Å; I318-F401 HydrophobicContact CG2-CZ 4.2Å; V399-F401 HydrophobicContact CG1-CD1 4.41Å; V399-F401 HydrophobicContact CG1-CE1 4.19Å; V399-F401 PolarHBondContact O-N 2.84Å; F401-F403 HydrophobicContact CB-CD2 4.34Å; F401-F403 HydrophobicContact CB-CE2 3.73Å; F401-F403 HydrophobicContact CD2-CE2 4.47Å; F401-F403 HydrophobicContact CD2-CZ 4.49Å; F401-F403 WeakPolarHBondContact O-CD2 3.22Å
402V95Very high81.8Confident1 Ų155.4 Ų55.41%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-93111.1-175.5-174.90000109.1E283 D284 V285 V316 R317 E319E283-V402 HydrophobicContact CG-CG1 3.28Å; D284-V402 CarbonylContact O-C 3.58Å; D284-V402 WeakPolarHBondContact O-CA 3.25Å; V285-V402 HydrophobicContact CG1-CG2 4.34Å; V285-V402 HydrophobicContact CG2-CG1 4.42Å; V285-V402 HydrophobicContact CG2-CG2 4.11Å; V316-V402 CarbonylContact C-O 3.57Å; V316-V402 WeakPolarHBondContact CA-O 3.43Å; R317-V402 HydrophobicContact CB-CB 4.23Å; R317-V402 PolarHBondContact N-O 3.26Å; R317-V402 PolarHBondContact O-N 2.94Å; E319-V402 HydrophobicContact CG-CG2 4.16Å
403F96.2Very high84.5Confident0 Ų048.1 Ų48.10%026%0.256CS..EExtended strand (participates in β ladder)trans-100.7134.9179.7-72.1-89.5000110.8E283 D284 I286 I304 V308 V313 V316 F401 I410 A413 L417E283-F403 WeakPolarHBondContact CA-O 3.26Å; D284-F403 PolarHBondContact N-O 2.68Å; D284-F403 PolarHBondContact O-N 2.78Å; I286-F403 HydrophobicContact CB-CE2 4.36Å; I286-F403 HydrophobicContact CD1-CD2 3.63Å; I286-F403 HydrophobicContact CD1-CE2 3.64Å; I286-F403 HydrophobicContact CG1-CD2 3.92Å; I286-F403 HydrophobicContact CG1-CE2 4.13Å; I304-F403 HydrophobicContact CD1-CE1 4.41Å; I304-F403 HydrophobicContact CD1-CZ 4.02Å; V308-F403 HydrophobicContact CG2-CE1 4.48Å; V313-F403 HydrophobicContact CB-CD1 4.42Å; V313-F403 HydrophobicContact CG1-CD1 4.3Å; V313-F403 HydrophobicContact CG2-CD1 3.91Å; V313-F403 HydrophobicContact CG2-CE1 4.41Å; V316-F403 HydrophobicContact CB-CD1 3.85Å; V316-F403 HydrophobicContact CB-CE1 3.73Å; V316-F403 HydrophobicContact CB-CZ 4.3Å; V316-F403 HydrophobicContact CG2-CD1 3.85Å; V316-F403 HydrophobicContact CG2-CD2 4.21Å; V316-F403 HydrophobicContact CG2-CE1 3.57Å; V316-F403 HydrophobicContact CG2-CE2 3.94Å; V316-F403 HydrophobicContact CG2-CG 4.18Å; V316-F403 HydrophobicContact CG2-CZ 3.64Å; F401-F403 HydrophobicContact CB-CD2 4.34Å; F401-F403 HydrophobicContact CB-CE2 3.73Å; F401-F403 HydrophobicContact CD2-CE2 4.47Å; F401-F403 HydrophobicContact CD2-CZ 4.49Å; F401-F403 WeakPolarHBondContact O-CD2 3.22Å; F403-I410 HydrophobicContact CB-CG1 4.38Å; F403-A413 HydrophobicContact CD1-CB 3.88Å; F403-A413 HydrophobicContact CE1-CB 3.91Å; F403-A413 HydrophobicContact CG-CB 4.37Å; F403-A413 HydrophobicContact CZ-CB 4.44Å; F403-L417 HydrophobicContact CE2-CD2 3.85Å; F403-L417 HydrophobicContact CZ-CD2 4.09Å
404V96.3Very high87.1Confident0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-120.6128.5177.7-177.50000109.7L229 L232 E283 V314 R315L229-V404 HydrophobicContact CD2-CG1 3.62Å; L232-V404 HydrophobicContact CD1-CG1 4.13Å; E283-V404 HydrophobicContact CB-CG2 4.12Å; E283-V404 HydrophobicContact CG-CG2 3.77Å; E283-V404 WeakPolarHBondContact OE2-CG2 3.23Å; V314-V404 WeakPolarHBondContact CB-O 3.37Å; V314-V404 PolarHBondContact N-O 2.78Å; R315-V404 HydrophobicContact CG-CB 3.82Å; R315-V404 HydrophobicContact CG-CG2 4.09Å; R315-V404 PolarHBondContact N-O 2.92Å; R315-V404 PolarHBondContact O-N 2.75Å
405G96.4Very high89.5Confident1 Ų145 Ų451%0.0124%0.24CC..EExtended strand (participates in β ladder)trans172.8-168.8-17900000111.6F281 A282F281-G405 CarbonylContact C-O 3.58Å; F281-G405 VanDerWaalsContact CA-O 3.32Å; F281-G405 WeakPolarHBondContact CA-O 3.38Å; F281-G405 VanDerWaalsContact CD1-C 3.46Å; A282-G405 PolarHBondContact N-O 3.02Å; A282-G405 PolarHBondContact O-N 2.88Å
406T96.3Very high91.9Very high22 Ų2240.1 Ų40.114%0.13523%0.226CC..EExtended strand (participates in β ladder)trans-67.4153.9165.460.40000109.7S277 E280 F281 D408 S409 I410S277-T406 VanDerWaalsContact O-CG2 3.3Å; S277-T406 WeakPolarHBondContact O-CG2 3.39Å; E280-T406 WeakPolarHBondContact O-CA 3.4Å; F281-T406 HydrophobicContact CD1-CG2 4.39Å; F281-T406 HydrophobicContact CD2-CG2 4.02Å; F281-T406 HydrophobicContact CE1-CG2 4.02Å; F281-T406 HydrophobicContact CE2-CG2 3.63Å; F281-T406 HydrophobicContact CG-CG2 4.39Å; F281-T406 HydrophobicContact CZ-CG2 3.63Å; T406-D408 PolarHBondContact O-N 2.82Å; T406-S409 PolarHBondContact O-N 2.92Å; T406-S409 VanDerWaalsContact O-N 3.09Å; T406-S409 WeakPolarHBondContact OG1-CB 3.42Å; T406-S409 PolarHBondContact OG1-N 2.83Å; T406-S409 PolarHBondContact OG1-OG 2.99Å; T406-I410 WeakPolarHBondContact O-CG1 3.45Å; T406-I410 PolarHBondContact O-N 3.15Å
407K94.9Very high93.9Very high101 Ų10133.1 Ų33.144%0.43919%0.193SC..Hα-helixtrans-55.2-37.7177.7-75.9-169.1-178.4168.70113.6E280 A282 I410 A411E280-K407 HydrophobicContact CG-CD 3.91Å; E280-K407 HydrophobicContact CG-CG 4.15Å; E280-K407 PolarHBondContact O-N 3.27Å; E280-K407 WeakPolarHBondContact OE1-CE 3.42Å; E280-K407 IonicContact OE1-NZ 2.58Å; E280-K407 PolarHBondContact OE1-NZ 3.47Å; A282-K407 HydrophobicContact CB-CG 4.11Å; K407-I410 PolarHBondContact O-N 3Å; K407-A411 WeakPolarHBondContact O-CB 3.41Å; K407-A411 PolarHBondContact O-N 3.38Å
408D94.4Very high94.7Very high90 Ų9035.9 Ų35.948%0.48120%0.201SC..Hα-helixtrans-63.8-44.3176.7-68.9-5.6000111.6S277 T406 A411 N412S277-D408 WeakPolarHBondContact CB-OD2 3.26Å; T406-D408 PolarHBondContact O-N 2.82Å; D408-A411 PolarHBondContact O-N 2.87Å; D408-N412 PolarHBondContact O-N 2.85Å; D408-N412 PolarHBondContact O-ND2 2.87Å; D408-N412 VanDerWaalsContact O-ND2 3.17Å
409S96.1Very high95.1Very high20 Ų2041 Ų4114%0.1422%0.219CC..Hα-helixtrans-65.7-39.6176.1-79.10000112.6S311 G312 V313 T406 N412 A413S311-S409 WeakPolarHBondContact O-CA 3.31Å; S311-S409 VanDerWaalsContact O-CB 3.25Å; S311-S409 WeakPolarHBondContact O-CB 3.23Å; S311-S409 PolarHBondContact O-OG 2.8Å; G312-S409 PolarHBondContact O-OG 2.91Å; V313-S409 VanDerWaalsContact CG1-C 3.49Å; V313-S409 VanDerWaalsContact CG1-O 3.29Å; V313-S409 WeakPolarHBondContact CG1-O 3.48Å; T406-S409 PolarHBondContact O-N 2.92Å; T406-S409 VanDerWaalsContact O-N 3.09Å; T406-S409 WeakPolarHBondContact OG1-CB 3.42Å; T406-S409 PolarHBondContact OG1-N 2.83Å; T406-S409 PolarHBondContact OG1-OG 2.99Å; S409-N412 WeakPolarHBondContact O-CB 3.41Å; S409-N412 PolarHBondContact O-N 2.87Å; S409-A413 PolarHBondContact O-N 3.28Å
410I95.9Very high95.2Very high6 Ų642 Ų423%0.03122%0.222CC..Hα-helixtrans-62.7-46.5174.6-68.5171.1000110.3A282 D284 V313 F403 T406 K407 N412 A413 T414A282-I410 HydrophobicContact CB-CD1 4.03Å; A282-I410 WeakPolarHBondContact O-CD1 3.38Å; D284-I410 HydrophobicContact CB-CD1 4.35Å; D284-I410 HydrophobicContact CB-CG2 3.71Å; V313-I410 HydrophobicContact CG1-CG1 4.21Å; F403-I410 HydrophobicContact CB-CG1 4.38Å; T406-I410 WeakPolarHBondContact O-CG1 3.45Å; T406-I410 PolarHBondContact O-N 3.15Å; K407-I410 PolarHBondContact O-N 3Å; I410-N412 VanDerWaalsContact C-N 3.29Å; I410-N412 PolarHBondContact O-N 2.69Å; I410-A413 WeakPolarHBondContact O-CA 3.28Å; I410-A413 WeakPolarHBondContact O-CB 3.49Å; I410-A413 PolarHBondContact O-N 2.91Å; I410-T414 PolarHBondContact O-N 2.96Å; I410-T414 PolarHBondContact O-OG1 2.8Å; I410-T414 VanDerWaalsContact O-OG1 3.08Å
411A95.9Very high95.1Very high50 Ų5041.3 Ų41.341%0.41322%0.217SC..Hα-helixtrans-58.9-39.7176.300000112.3K407 D408 T414 V415K407-A411 WeakPolarHBondContact O-CB 3.41Å; K407-A411 PolarHBondContact O-N 3.38Å; D408-A411 PolarHBondContact O-N 2.87Å; A411-T414 PolarHBondContact O-N 2.81Å; A411-V415 WeakPolarHBondContact O-CG2 3.3Å; A411-V415 PolarHBondContact O-N 2.93Å
412N95.8Very high95Very high83 Ų8346.1 Ų46.144%0.44424%0.243SC..Hα-helixtrans-63-40.6172.9-67.2-31000112.1D408 S409 I410 V415 L416D408-N412 PolarHBondContact O-N 2.85Å; D408-N412 PolarHBondContact O-ND2 2.87Å; D408-N412 VanDerWaalsContact O-ND2 3.17Å; S409-N412 WeakPolarHBondContact O-CB 3.41Å; S409-N412 PolarHBondContact O-N 2.87Å; I410-N412 VanDerWaalsContact C-N 3.29Å; I410-N412 PolarHBondContact O-N 2.69Å; N412-V415 PolarHBondContact O-N 3.13Å; N412-L416 VanDerWaalsContact O-CG 3.3Å; N412-L416 WeakPolarHBondContact O-CG 3.44Å; N412-L416 PolarHBondContact O-N 2.86Å; N412-L416 VanDerWaalsContact O-N 3.08Å
413A95.8Very high94.8Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-63.2-42.3175.500000111.5I307 V313 F403 S409 I410 L416 L417I307-A413 HydrophobicContact CG2-CB 4.47Å; V313-A413 HydrophobicContact CG1-CB 3.81Å; F403-A413 HydrophobicContact CD1-CB 3.88Å; F403-A413 HydrophobicContact CE1-CB 3.91Å; F403-A413 HydrophobicContact CG-CB 4.37Å; F403-A413 HydrophobicContact CZ-CB 4.44Å; S409-A413 PolarHBondContact O-N 3.28Å; I410-A413 WeakPolarHBondContact O-CA 3.28Å; I410-A413 WeakPolarHBondContact O-CB 3.49Å; I410-A413 PolarHBondContact O-N 2.91Å; A413-L416 PolarHBondContact O-N 2.89Å; A413-L417 WeakPolarHBondContact O-CB 3.23Å; A413-L417 PolarHBondContact O-N 3.1Å
414T94.7Very high94.6Very high36 Ų3652.5 Ų52.522%0.22127%0.268CS..Hα-helixtrans-58.3-50.1174.8-49.50000111.6I286 I410 A411 L416 L417 D418I286-T414 HydrophobicContact CD1-CG2 4.12Å; I286-T414 VanDerWaalsContact CD1-OG1 3.25Å; I286-T414 WeakPolarHBondContact CD1-OG1 3.47Å; I410-T414 PolarHBondContact O-N 2.96Å; I410-T414 PolarHBondContact O-OG1 2.8Å; I410-T414 VanDerWaalsContact O-OG1 3.08Å; A411-T414 PolarHBondContact O-N 2.81Å; T414-L416 PolarHBondContact O-N 2.86Å; T414-L417 PolarHBondContact O-N 3.3Å; T414-D418 WeakPolarHBondContact O-CB 3.37Å; T414-D418 PolarHBondContact O-N 2.84Å
415V96.1Very high94.3Very high99 Ų9957.9 Ų57.960%0.629%0.292SS*.Hα-helixtrans-60.5-43.3179.1172.30000112A411 N412 Y419A411-V415 WeakPolarHBondContact O-CG2 3.3Å; A411-V415 PolarHBondContact O-N 2.93Å; N412-V415 PolarHBondContact O-N 3.13Å; V415-Y419 VanDerWaalsContact O-CB 3.28Å; V415-Y419 WeakPolarHBondContact O-CB 3.26Å; V415-Y419 PolarHBondContact O-N 3.22Å
416L95.5Very high94Very high57 Ų5762.9 Ų62.930%0.29832%0.315SS..Hα-helixtrans-66.4-40.3178-70.9171.7000112.3I307 K310 N412 A413 T414 H420I307-L416 HydrophobicContact CG1-CB 4.39Å; I307-L416 HydrophobicContact CG2-CB 4.06Å; I307-L416 HydrophobicContact CG2-CD1 4.48Å; K310-L416 HydrophobicContact CB-CD1 3.62Å; N412-L416 VanDerWaalsContact O-CG 3.3Å; N412-L416 WeakPolarHBondContact O-CG 3.44Å; N412-L416 PolarHBondContact O-N 2.86Å; N412-L416 VanDerWaalsContact O-N 3.08Å; A413-L416 PolarHBondContact O-N 2.89Å; T414-L416 PolarHBondContact O-N 2.86Å; L416-H420 WeakPolarHBondContact O-CB 3.46Å; L416-H420 PolarHBondContact O-N 2.89Å; L416-H420 VanDerWaalsContact O-N 3.14Å
417L94.8Very high93.6Very high0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-70.3-46.2179.3179.954.9000111.5I286 V288 V296 I307 F403 A413 T414 Y419 H420 L421I286-L417 HydrophobicContact CB-CD2 4.02Å; I286-L417 HydrophobicContact CD1-CD2 4.04Å; I286-L417 HydrophobicContact CG2-CD2 3.74Å; V288-L417 HydrophobicContact CG2-CD1 4.4Å; V288-L417 HydrophobicContact CG2-CD2 4.05Å; V296-L417 HydrophobicContact CG1-CD1 3.41Å; V296-L417 VanDerWaalsContact CG1-CD1 3.41Å; V296-L417 HydrophobicContact CG2-CD1 4.44Å; I307-L417 HydrophobicContact CD1-CD1 4.3Å; F403-L417 HydrophobicContact CE2-CD2 3.85Å; F403-L417 HydrophobicContact CZ-CD2 4.09Å; A413-L417 WeakPolarHBondContact O-CB 3.23Å; A413-L417 PolarHBondContact O-N 3.1Å; T414-L417 PolarHBondContact O-N 3.3Å; L417-Y419 PolarHBondContact O-N 2.91Å; L417-H420 PolarHBondContact O-N 3.49Å; L417-L421 HydrophobicContact CD1-CD1 4.2Å; L417-L421 HydrophobicContact CD1-CG 4.14Å; L417-L421 HydrophobicContact CG-CD1 4.01Å; L417-L421 HydrophobicContact CG-CG 4.42Å; L417-L421 WeakPolarHBondContact O-CB 3.46Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.46Å; L417-L421 PolarHBondContact O-N 2.99Å
418D93.5Very high93.3Very high84 Ų8460.1 Ų60.145%0.44931%0.305SS..Hα-helixtrans-61.7-43.8177.1-78.6-19.7000111.9T414 H420 L421 N422T414-D418 WeakPolarHBondContact O-CB 3.37Å; T414-D418 PolarHBondContact O-N 2.84Å; D418-H420 VanDerWaalsContact C-N 3.31Å; D418-H420 PolarHBondContact O-N 2.74Å; D418-L421 PolarHBondContact O-N 3.2Å; D418-N422 WeakPolarHBondContact O-CB 3.49Å; D418-N422 PolarHBondContact O-N 2.82Å
419Y94.4Very high93Very high175 Ų17562.3 Ų62.369%0.68631%0.313SS*.Hα-helixtrans-57.7-45.2173.9179.5-97.6000111.3V415 L417 N422 Y423V415-Y419 VanDerWaalsContact O-CB 3.28Å; V415-Y419 WeakPolarHBondContact O-CB 3.26Å; V415-Y419 PolarHBondContact O-N 3.22Å; L417-Y419 PolarHBondContact O-N 2.91Å; Y419-N422 PolarHBondContact O-N 3.24Å; Y419-Y423 PolarHBondContact O-N 2.82Å
420H92.1Very high92.8Very high32 Ų3266 Ų6615%0.14833%0.33CS..Hα-helixtrans-68.3-40.8178.3-168.567.3000112.8L303 L416 L417 D418 N422 Y423 L424L303-H420 VanDerWaalsContact CD2-CE1 3.45Å; L303-H420 WeakPolarHBondContact CD2-CE1 3.45Å; L303-H420 VanDerWaalsContact CD2-NE2 3.26Å; L303-H420 WeakPolarHBondContact CD2-NE2 3.47Å; L416-H420 WeakPolarHBondContact O-CB 3.46Å; L416-H420 PolarHBondContact O-N 2.89Å; L416-H420 VanDerWaalsContact O-N 3.14Å; L417-H420 PolarHBondContact O-N 3.49Å; D418-H420 VanDerWaalsContact C-N 3.31Å; D418-H420 PolarHBondContact O-N 2.74Å; H420-N422 VanDerWaalsContact C-N 3.32Å; H420-N422 PolarHBondContact O-N 2.86Å; H420-Y423 PolarHBondContact O-N 2.91Å; H420-L424 WeakPolarHBondContact NE2-CD1 3.5Å; H420-L424 WeakPolarHBondContact NE2-CG 3.38Å; H420-L424 WeakPolarHBondContact O-CG 3.42Å; H420-L424 PolarHBondContact O-N 2.85Å
421L92.5Very high92.4Very high10 Ų1071.9 Ų71.95%0.05235%0.352CS..Hα-helixtrans-61-40.6175.1-74.4171.4000111.8V288 L292 V296 L417 D418 L424 K425V288-L421 HydrophobicContact CG1-CD2 4.09Å; L292-L421 HydrophobicContact CB-CD2 4.27Å; L292-L421 HydrophobicContact CD1-CD2 4.05Å; V296-L421 HydrophobicContact CG2-CD2 3.56Å; V296-L421 HydrophobicContact CG2-CG 4.4Å; L417-L421 HydrophobicContact CD1-CD1 4.2Å; L417-L421 HydrophobicContact CD1-CG 4.14Å; L417-L421 HydrophobicContact CG-CD1 4.01Å; L417-L421 HydrophobicContact CG-CG 4.42Å; L417-L421 WeakPolarHBondContact O-CB 3.46Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.46Å; L417-L421 PolarHBondContact O-N 2.99Å; D418-L421 PolarHBondContact O-N 3.2Å; L421-L424 PolarHBondContact O-N 3.35Å; L421-K425 WeakPolarHBondContact O-CG 3.39Å; L421-K425 PolarHBondContact O-N 2.86Å; L421-K425 VanDerWaalsContact O-N 3.09Å
422N92.3Very high92Very high101 Ų10175.1 Ų75.154%0.5436%0.362SS..Hα-helixtrans-66.6-46.7177.1-165.157.6000111.5D418 Y419 H420 L424 K425 E426D418-N422 WeakPolarHBondContact O-CB 3.49Å; D418-N422 PolarHBondContact O-N 2.82Å; Y419-N422 PolarHBondContact O-N 3.24Å; H420-N422 VanDerWaalsContact C-N 3.32Å; H420-N422 PolarHBondContact O-N 2.86Å; N422-L424 VanDerWaalsContact C-N 3.3Å; N422-L424 PolarHBondContact O-N 3.09Å; N422-K425 WeakPolarHBondContact O-CB 3.35Å; N422-K425 PolarHBondContact O-N 3.26Å; N422-K425 VanDerWaalsContact O-N 3.11Å; N422-E426 PolarHBondContact O-N 3.5Å
423Y91.8Very high91.7Very high120 Ų12076.1 Ų76.147%0.47136%0.364SS..Hα-helixtrans-56-42.3173.9173.6-103.2000112.5Y419 H420 E426 V427Y419-Y423 PolarHBondContact O-N 2.82Å; H420-Y423 PolarHBondContact O-N 2.91Å; Y423-E426 PolarHBondContact O-N 3.05Å; Y423-V427 HydrophobicContact CD1-CG2 4.44Å; Y423-V427 HydrophobicContact CD2-CG2 4.23Å; Y423-V427 HydrophobicContact CE1-CG2 3.99Å; Y423-V427 HydrophobicContact CE2-CG2 3.76Å; Y423-V427 WeakPolarHBondContact O-CB 3.23Å; Y423-V427 VanDerWaalsContact O-CG2 3.3Å; Y423-V427 WeakPolarHBondContact O-CG2 3.39Å; Y423-V427 PolarHBondContact O-N 2.83Å
424L90.8Very high91.4Very high15 Ų1584.1 Ų84.18%0.07939%0.394CS..Hα-helixtrans-64.6-39176.4-72.1178000113.1L292 K295 V296 H420 L421 N422 D428L292-L424 HydrophobicContact CB-CD1 4.45Å; L292-L424 HydrophobicContact CD2-CB 4.21Å; L292-L424 HydrophobicContact CD2-CD1 4.49Å; K295-L424 HydrophobicContact CB-CD1 3.59Å; K295-L424 HydrophobicContact CB-CD2 3.92Å; K295-L424 HydrophobicContact CB-CG 4.42Å; K295-L424 HydrophobicContact CD-CD1 4.41Å; K295-L424 HydrophobicContact CD-CD2 3.97Å; V296-L424 HydrophobicContact CG2-CD1 3.82Å; H420-L424 WeakPolarHBondContact NE2-CD1 3.5Å; H420-L424 WeakPolarHBondContact NE2-CG 3.38Å; H420-L424 WeakPolarHBondContact O-CG 3.42Å; H420-L424 PolarHBondContact O-N 2.85Å; L421-L424 PolarHBondContact O-N 3.35Å; N422-L424 VanDerWaalsContact C-N 3.3Å; N422-L424 PolarHBondContact O-N 3.09Å; L424-D428 WeakPolarHBondContact O-CB 3.31Å; L424-D428 PolarHBondContact O-N 2.99Å
425K89.5Confident91.1Very high113 Ų11387.9 Ų87.949%0.49141%0.412SS..Hα-helixtrans-64.2-45.8175.9-71.7168-176.8175.40111.2L292 L421 N422 D428 Q429L292-K425 HydrophobicContact CD1-CG 4.15Å; L421-K425 WeakPolarHBondContact O-CG 3.39Å; L421-K425 PolarHBondContact O-N 2.86Å; L421-K425 VanDerWaalsContact O-N 3.09Å; N422-K425 WeakPolarHBondContact O-CB 3.35Å; N422-K425 PolarHBondContact O-N 3.26Å; N422-K425 VanDerWaalsContact O-N 3.11Å; K425-D428 PolarHBondContact O-N 3.43Å; K425-Q429 WeakPolarHBondContact O-CB 3.5Å; K425-Q429 PolarHBondContact O-N 2.85Å
426E90.4Very high90.7Very high106 Ų10689.4 Ų89.450%0.49541%0.413SS..Hα-helixtrans-61.6-45.6177.4-173.3179.5-176.300111.7N422 Y423 D428 Q429 L430N422-E426 PolarHBondContact O-N 3.5Å; Y423-E426 PolarHBondContact O-N 3.05Å; E426-D428 VanDerWaalsContact C-N 3.34Å; E426-D428 PolarHBondContact O-N 2.87Å; E426-Q429 WeakPolarHBondContact O-CB 3.2Å; E426-Q429 PolarHBondContact O-N 2.83Å; E426-L430 HydrophobicContact CG-CD1 4.42Å; E426-L430 WeakPolarHBondContact O-CG 3.49Å; E426-L430 PolarHBondContact O-N 3.42Å
427V89.3Confident90.2Very high33 Ų3390.5 Ų90.520%0.242%0.418CS..Hα-helixtrans-63.2-37.81761690000112.3Y423 R431Y423-V427 HydrophobicContact CD1-CG2 4.44Å; Y423-V427 HydrophobicContact CD2-CG2 4.23Å; Y423-V427 HydrophobicContact CE1-CG2 3.99Å; Y423-V427 HydrophobicContact CE2-CG2 3.76Å; Y423-V427 WeakPolarHBondContact O-CB 3.23Å; Y423-V427 VanDerWaalsContact O-CG2 3.3Å; Y423-V427 WeakPolarHBondContact O-CG2 3.39Å; Y423-V427 PolarHBondContact O-N 2.83Å; V427-R431 VanDerWaalsContact O-CG 3.28Å; V427-R431 WeakPolarHBondContact O-CG 3.27Å; V427-R431 PolarHBondContact O-N 3.38Å
428D86.9Confident89.7Confident32 Ų3294 Ų9417%0.17144%0.437CS..Hα-helixtrans-72.5-35.3175.2-73.9-18000111.9K295 L424 K425 E426 R431 L432K295-D428 IonicContact NZ-OD1 2.74Å; K295-D428 PolarHBondContact NZ-OD1 2.77Å; K295-D428 IonicContact NZ-OD2 3.18Å; K295-D428 PolarHBondContact NZ-OD2 2.79Å; L424-D428 WeakPolarHBondContact O-CB 3.31Å; L424-D428 PolarHBondContact O-N 2.99Å; K425-D428 PolarHBondContact O-N 3.43Å; E426-D428 VanDerWaalsContact C-N 3.34Å; E426-D428 PolarHBondContact O-N 2.87Å; D428-R431 WeakPolarHBondContact O-CB 3.35Å; D428-R431 PolarHBondContact O-N 2.9Å; D428-R431 IonicContact OD1-CZ 2.78Å; D428-R431 IonicContact OD1-NH1 2.94Å; D428-R431 PolarHBondContact OD1-NH1 3.44Å; D428-L432 WeakPolarHBondContact O-CD1 3.12Å; D428-L432 PolarHBondContact O-N 2.81Å
429Q89.9Confident89.4Confident137 Ų13793.1 Ų93.164%0.6443%0.43SS*.Hα-helixtrans-61.5-48.2173.1-177.8174.5-1.400111.8K425 E426 R431 L432 E433K425-Q429 WeakPolarHBondContact O-CB 3.5Å; K425-Q429 PolarHBondContact O-N 2.85Å; E426-Q429 WeakPolarHBondContact O-CB 3.2Å; E426-Q429 PolarHBondContact O-N 2.83Å; Q429-R431 PolarHBondContact O-N 2.84Å; Q429-L432 WeakPolarHBondContact O-CB 3.14Å; Q429-L432 PolarHBondContact O-N 2.81Å; Q429-E433 PolarHBondContact O-N 2.93Å
430L90.6Very high88.9Confident96 Ų9689.6 Ų89.650%0.50342%0.42SS..Hα-helixtrans-60.9-30.3175.6-70169.3000112.6E426 R434E426-L430 HydrophobicContact CG-CD1 4.42Å; E426-L430 WeakPolarHBondContact O-CG 3.49Å; E426-L430 PolarHBondContact O-N 3.42Å; L430-R434 WeakPolarHBondContact O-CB 3.16Å; L430-R434 PolarHBondContact O-N 2.92Å
431R87.3Confident88.3Confident130 Ų13093.2 Ų93.249%0.49144%0.44SS..Hα-helixtrans-70.2-41172.1-74.5166.6173.6153.41.5112.4V427 D428 Q429 L435V427-R431 VanDerWaalsContact O-CG 3.28Å; V427-R431 WeakPolarHBondContact O-CG 3.27Å; V427-R431 PolarHBondContact O-N 3.38Å; D428-R431 WeakPolarHBondContact O-CB 3.35Å; D428-R431 PolarHBondContact O-N 2.9Å; D428-R431 IonicContact OD1-CZ 2.78Å; D428-R431 IonicContact OD1-NH1 2.94Å; D428-R431 PolarHBondContact OD1-NH1 3.44Å; Q429-R431 PolarHBondContact O-N 2.84Å; R431-L435 WeakPolarHBondContact O-CG 3.35Å; R431-L435 PolarHBondContact O-N 2.69Å
432L88.5Confident87.7Confident119 Ų119100.4 Ų100.462%0.62347%0.466SS*.Hα-helixtrans-64.7-45.5175.7-93.174.8000111D428 Q429 R434 L435 Q436D428-L432 WeakPolarHBondContact O-CD1 3.12Å; D428-L432 PolarHBondContact O-N 2.81Å; Q429-L432 WeakPolarHBondContact O-CB 3.14Å; Q429-L432 PolarHBondContact O-N 2.81Å; L432-R434 PolarHBondContact O-N 3.34Å; L432-L435 PolarHBondContact O-N 3.43Å; L432-Q436 PolarHBondContact O-N 3.2Å
433E89.9Confident86.8Confident104 Ų104101.7 Ų101.749%0.48647%0.469SS..Hα-helixtrans-58.4-47.9176.1-176.3178.5-173.100111.3Q429 L435 Q436 I437Q429-E433 PolarHBondContact O-N 2.93Å; E433-L435 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 2.83Å; E433-Q436 WeakPolarHBondContact O-CB 3.39Å; E433-Q436 PolarHBondContact O-N 3.47Å; E433-Q436 VanDerWaalsContact O-N 3.13Å; E433-I437 HydrophobicContact CG-CD1 4.14Å; E433-I437 WeakPolarHBondContact O-CG1 3.31Å; E433-I437 PolarHBondContact O-N 2.9Å
434R88Confident85.8Confident167 Ų167102.7 Ų102.763%0.6348%0.481SS*.Hα-helixtrans-56.8-45.5173.9178.5-175.4161.6171.80.7112.3L430 L432 Q436 I437 D438L430-R434 WeakPolarHBondContact O-CB 3.16Å; L430-R434 PolarHBondContact O-N 2.92Å; L432-R434 PolarHBondContact O-N 3.34Å; R434-Q436 VanDerWaalsContact C-N 3.27Å; R434-Q436 PolarHBondContact O-N 3.05Å; R434-I437 PolarHBondContact O-N 3.22Å; R434-D438 IonicContact CZ-OD2 3.94Å; R434-D438 IonicContact NE-OD2 3.17Å; R434-D438 PolarHBondContact NE-OD2 3.02Å; R434-D438 VanDerWaalsContact NE-OD2 3.17Å; R434-D438 IonicContact NH2-OD2 3.77Å; R434-D438 WeakPolarHBondContact O-CB 3.37Å; R434-D438 PolarHBondContact O-N 2.53Å
435L89.6Confident84.4Confident115 Ų115104.6 Ų104.660%0.60250%0.504SS*.Hα-helixtrans-63.1-35.3178.7-75.5168.5000111.9R431 L432 E433 D438 E439R431-L435 WeakPolarHBondContact O-CG 3.35Å; R431-L435 PolarHBondContact O-N 2.69Å; L432-L435 PolarHBondContact O-N 3.43Å; E433-L435 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 2.83Å; L435-D438 PolarHBondContact O-N 2.93Å; L435-E439 WeakPolarHBondContact O-CB 3.42Å; L435-E439 PolarHBondContact O-N 3.04Å
436Q86.8Confident82.5Confident132 Ų132103.3 Ų103.362%0.61752%0.515SS*.Hα-helixtrans-68.3-38.2175.7-167.7170.27.300111.8L432 E433 R434 Q440L432-Q436 PolarHBondContact O-N 3.2Å; E433-Q436 WeakPolarHBondContact O-CB 3.39Å; E433-Q436 PolarHBondContact O-N 3.47Å; E433-Q436 VanDerWaalsContact O-N 3.13Å; R434-Q436 VanDerWaalsContact C-N 3.27Å; R434-Q436 PolarHBondContact O-N 3.05Å; Q436-Q440 WeakPolarHBondContact O-CG 3.37Å; Q436-Q440 PolarHBondContact O-N 3.14Å
437I84.7Confident80.4Confident79 Ų79102.8 Ų102.841%0.40552%0.523SS..Hα-helixtrans-66.1-47.3172-64.8164000110.8E433 R434 E439 Q440 L441E433-I437 HydrophobicContact CG-CD1 4.14Å; E433-I437 WeakPolarHBondContact O-CG1 3.31Å; E433-I437 PolarHBondContact O-N 2.9Å; R434-I437 PolarHBondContact O-N 3.22Å; I437-E439 VanDerWaalsContact C-N 3.27Å; I437-E439 PolarHBondContact O-N 2.84Å; I437-Q440 PolarHBondContact O-N 2.92Å; I437-L441 HydrophobicContact CG2-CD1 4.04Å; I437-L441 HydrophobicContact CG2-CG 4.41Å; I437-L441 WeakPolarHBondContact O-CB 3.06Å; I437-L441 WeakPolarHBondContact O-CG 3.35Å; I437-L441 PolarHBondContact O-N 3.37Å
438D84.7Confident78.2Confident73 Ų73107 Ų10739%0.3955%0.553SS.*Hα-helixtrans-61.3-35.1178.1-75.8-27.4000111.2R434 L435 R442R434-D438 IonicContact CZ-OD2 3.94Å; R434-D438 IonicContact NE-OD2 3.17Å; R434-D438 PolarHBondContact NE-OD2 3.02Å; R434-D438 VanDerWaalsContact NE-OD2 3.17Å; R434-D438 IonicContact NH2-OD2 3.77Å; R434-D438 WeakPolarHBondContact O-CB 3.37Å; R434-D438 PolarHBondContact O-N 2.53Å; L435-D438 PolarHBondContact O-N 2.93Å; D438-R442 PolarHBondContact O-N 3.21Å
439E87Confident76.3Confident66 Ų66117.1 Ų117.131%0.30859%0.589SS.*Hα-helixtrans-68.5-46.2172.6179.264.5-140.600112.3L435 I437 L441 R442 Q443L435-E439 WeakPolarHBondContact O-CB 3.42Å; L435-E439 PolarHBondContact O-N 3.04Å; I437-E439 VanDerWaalsContact C-N 3.27Å; I437-E439 PolarHBondContact O-N 2.84Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 2.6Å; E439-R442 VanDerWaalsContact CD-NH2 3.31Å; E439-R442 PolarHBondContact O-N 2.72Å; E439-R442 VanDerWaalsContact O-N 3.07Å; E439-R442 IonicContact OE1-CZ 3.66Å; E439-R442 IonicContact OE1-NH1 3.47Å; E439-R442 IonicContact OE1-NH2 3.26Å; E439-R442 PolarHBondContact OE1-NH2 3.46Å; E439-R442 IonicContact OE2-CZ 2.92Å; E439-R442 VanDerWaalsContact OE2-CZ 3.27Å; E439-R442 IonicContact OE2-NH1 3.27Å; E439-R442 PolarHBondContact OE2-NH1 3.43Å; E439-R442 IonicContact OE2-NH2 3.99Å; E439-R442 PolarHBondContact OE2-NH2 3.13Å; E439-R442 VanDerWaalsContact OE2-NH2 3.11Å; E439-Q443 WeakPolarHBondContact O-CG 3.5Å; E439-Q443 PolarHBondContact O-N 3.11Å; E439-Q443 PolarHBondContact OE1-NE2 2.81Å
440Q85.3Confident74Confident102 Ų102116.1 Ų116.148%0.47760%0.595SS.*Hα-helixtrans-59.1-42.7174.4-76.1175-12.500111.5Q436 I437 R442 Q443 I444Q436-Q440 WeakPolarHBondContact O-CG 3.37Å; Q436-Q440 PolarHBondContact O-N 3.14Å; I437-Q440 PolarHBondContact O-N 2.92Å; Q440-R442 VanDerWaalsContact C-N 3.3Å; Q440-R442 PolarHBondContact O-N 2.89Å; Q440-Q443 PolarHBondContact O-N 2.86Å; Q440-I444 WeakPolarHBondContact O-CG1 3.22Å; Q440-I444 PolarHBondContact O-N 2.67Å
441L78.4Confident72Confident107 Ų107117.3 Ų117.356%0.5661%0.608SS**Hα-helixtrans-62.6-34.8174.2-70.8172.9000112.1I437 E439 G445I437-L441 HydrophobicContact CG2-CD1 4.04Å; I437-L441 HydrophobicContact CG2-CG 4.41Å; I437-L441 WeakPolarHBondContact O-CB 3.06Å; I437-L441 WeakPolarHBondContact O-CG 3.35Å; I437-L441 PolarHBondContact O-N 3.37Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 2.6Å; L441-G445 WeakPolarHBondContact O-CA 3.37Å; L441-G445 PolarHBondContact O-N 3Å
442R79.2Confident70.8Confident161 Ų161117.2 Ų117.261%0.60862%0.624SS**Hα-helixtrans-70.9-33.9174-156.9-176.174.9-108.6-12.5112.7D438 E439 Q440D438-R442 PolarHBondContact O-N 3.21Å; E439-R442 VanDerWaalsContact CD-NH2 3.31Å; E439-R442 PolarHBondContact O-N 2.72Å; E439-R442 VanDerWaalsContact O-N 3.07Å; E439-R442 IonicContact OE1-CZ 3.66Å; E439-R442 IonicContact OE1-NH1 3.47Å; E439-R442 IonicContact OE1-NH2 3.26Å; E439-R442 PolarHBondContact OE1-NH2 3.46Å; E439-R442 IonicContact OE2-CZ 2.92Å; E439-R442 VanDerWaalsContact OE2-CZ 3.27Å; E439-R442 IonicContact OE2-NH1 3.27Å; E439-R442 PolarHBondContact OE2-NH1 3.43Å; E439-R442 IonicContact OE2-NH2 3.99Å; E439-R442 PolarHBondContact OE2-NH2 3.13Å; E439-R442 VanDerWaalsContact OE2-NH2 3.11Å; Q440-R442 VanDerWaalsContact C-N 3.3Å; Q440-R442 PolarHBondContact O-N 2.89Å
443Q73.4Confident68.3Low128 Ų128119.1 Ų119.160%0.59864%0.635SS**Hα-helixtrans-72.1-37.7176.7-68.7175.41600112.1E439 Q440E439-Q443 WeakPolarHBondContact O-CG 3.5Å; E439-Q443 PolarHBondContact O-N 3.11Å; E439-Q443 PolarHBondContact OE1-NE2 2.81Å; Q440-Q443 PolarHBondContact O-N 2.86Å
444I71.4Confident66.1Low142 Ų142124.5 Ų124.573%0.72865%0.651SS**Hα-helixtrans-75.2-35.7174.4-63.2163.8000111.1Q440 A446Q440-I444 WeakPolarHBondContact O-CG1 3.22Å; Q440-I444 PolarHBondContact O-N 2.67Å; I444-A446 PolarHBondContact O-N 3.19Å; I444-A446 VanDerWaalsContact O-N 3.16Å
445G61.3Low63.9Low54 Ų54122 Ų12256%0.55765%0.654SS**THydrogen-bonded Turntrans-75.29.7179.900000115.7L441 S447L441-G445 WeakPolarHBondContact O-CA 3.37Å; L441-G445 PolarHBondContact O-N 3Å; G445-S447 PolarHBondContact O-N 2.72Å
446A49Very low61.3Low87 Ų87123 Ų12372%0.71966%0.66SS**  trans-74.949.1-179.100000113.8I444I444-A446 PolarHBondContact O-N 3.19Å; I444-A446 VanDerWaalsContact O-N 3.16Å
447S46.8Very low59.2Low95 Ų95126.7 Ų126.766%0.66467%0.674SS**SBendtrans-141.3113.7159.656.50000112.4G445G445-S447 PolarHBondContact O-N 2.72Å
448S43.2Very low56.7Low120 Ų120130.7 Ų130.784%0.83969%0.691SS**  trans68.393.5152.9-53.40000119.7
449R47Very low54.5Low245 Ų245135.9 Ų135.993%0.92571%0.71SS**  trans-142.2124.9137.9-109.8-174.1-175.7-161.30.7112.5
450P41.3Very low51.8Low117 Ų117137.4 Ų137.476%0.7673%0.729SS**PPolyproline II helixtrans-75.7165.9170.8-13.129.4000113.2
451P48.5Very low49.4Very low120 Ų120141.9 Ų141.978%0.77974%0.742SS**PPolyproline II helixtrans-77.9168.9-176.233.4-36.1000113.7
452P63Low47.5Very low128 Ų128143.9 Ų143.983%0.83176%0.758SS**PPolyproline II helixtrans-85.4149-160.533.8-35.8000113.5
453N36.4Very low45.4Very low160 Ų160141.1 Ų141.186%0.85676%0.76SS**  trans-145.2165.2162.8-142.7-12.3000113.4
454R42.4Very low43.6Very low217 Ų217142.2 Ų142.282%0.81977%0.77SS**  trans-89.1160.4-152.3-82.8172.4155.5164.3-8.9117.1
455T43.4Very low41.8Very low114 Ų114142.8 Ų142.870%0.69977%0.774SS**  trans69.6155.9141.650.70000122.1
456D34.7Very low40.5Very low135 Ų135143.3 Ų143.372%0.72278%0.78SS**  trans77.3103.6158.7-52-38.5000120.3
457K42.3Very low40.2Very low210 Ų210148.2 Ų148.291%0.91379%0.788SS**  -150.1102121.6-113.9166.6-173.7174.90112.4
458E32.4Very low39.6Very low164 Ų164146.9 Ų146.977%0.76679%0.789SS**  trans-65.4147.5159.1-57.7177.9121.800111.3
459K37.9Very low39.3Very low181 Ų181150.7 Ų150.779%0.78780%0.796SS**  152.3111.3129.7-86.7173.3178173.60109.2
460S31.1Very low38.8Very low99 Ų99142.6 Ų142.669%0.69279%0.789SS**  76.7137.475.9-69.50000112
461Y33.2Very low38.5Very low196 Ų196149 Ų14977%0.76980%0.798SS**  cis-172.3128.4-15.7-139.5-85.3000104.6T463Y461-T463 HydrophobicContact CD1-CG2 4.33Å; Y461-T463 HydrophobicContact CE1-CG2 4.12Å
462V39.1Very low37.8Very low148 Ų148146.7 Ų146.790%0.89780%0.795SS**  trans-144.4111.7157.2-178.20000108.1
463T36.1Very low36.4Very low104 Ų104146.1 Ų146.164%0.63880%0.795SS**  trans-58151.5163.640.80000110.4Y461Y461-T463 HydrophobicContact CD1-CG2 4.33Å; Y461-T463 HydrophobicContact CE1-CG2 4.12Å
464D35.3Very low36.5Very low151 Ų151149.9 Ų149.981%0.80780%0.797SS**  -164.3168.579.5-164.126.4000113.4
465D33.6Very low36.6Very low153 Ų153145.4 Ų145.482%0.81880%0.796SS**  trans-66.4162-164.9-81.1-52.8000117.8
466G34Very low36.3Very low65 Ų65150 Ų15067%0.6780%0.802SS**  trans168105161.900000115.3
467Q41.8Very low36.2Very low190 Ų190155.5 Ų155.589%0.88881%0.812SS**  trans-49.7158.6-179-53.485.82.900114.8
468G34.9Very low35.7Very low67 Ų67152.6 Ų152.669%0.69181%0.807SS**  cis155.8155.81.700000111
469M36.7Very low35.8Very low200 Ų200156.2 Ų156.299%0.98581%0.813SS**  trans45.2138.8162.5-66.4-65.2-178.700121.8
470G36.2Very low35.5Very low76 Ų76150.3 Ų150.378%0.78480%0.804SS**  trans140.993.2137.300000118.4
471R35.7Very low35.7Very low252 Ų252155.4 Ų155.495%0.95182%0.816SS**  trans-45.5150.5167.5-57.6170.2173.9-163.2-2.2115.5
472G32.7Very low35.7Very low70 Ų70149.2 Ų149.272%0.72281%0.812SS**  106.199.9114.600000120.3
473S33.7Very low35.6Very low116 Ų116153.5 Ų153.581%0.81181%0.812SS**  trans37.1112.5131.1-59.40000122.5
474R40.4Very low35.5Very low240 Ų240160.3 Ų160.391%0.90683%0.826SS**  trans54.5126.4133.1-66.4-178.7174.9167.9-0.6121
475P44.1Very low35.2Very low122 Ų122156.7 Ų156.779%0.79282%0.824SS**  -123.2173.4123.540-31000109.6
476Y36.6Very low35.6Very low212 Ų212156 Ų15683%0.83183%0.828SS**  cis-152.3153.4-6.3-153-110.6000106.3N478Y476-N478 HydrophobicContact CE1-CB 4.39Å
477R31.6Very low35.3Very low250 Ų250155.9 Ų155.994%0.94383%0.827SS**  trans-144111.4164.3-135.6-171-157.9-1447.8110.5
478N32.3Very low34.7Very low148 Ų148157.5 Ų157.579%0.79183%0.827SS**  trans-148.6110.1162-150.316.9000109.8Y476Y476-N478 HydrophobicContact CE1-CB 4.39Å
479R34.4Very low34.5Very low241 Ų241160.9 Ų160.991%0.90983%0.834SS**  trans-157.1120.4166.5178.3169-83.3178.5-5.4107.9
480G31.9Very low34.2Very low56 Ų56157.2 Ų157.258%0.57783%0.828SS**  trans-85.3-175173.100000112.9
481H36Very low33.8Very low206 Ų206156.1 Ų156.195%0.95482%0.817SS**  trans62.9141.4-179.2-70.2-94.6000115.1
482G32.4Very low33.5Very low66 Ų66150.2 Ų150.268%0.6881%0.809SS**  cis15488.915.600000109.4
483R37.1Very low33.4Very low238 Ų238153.7 Ų153.790%0.89881%0.811SS**  trans38.9141.8156.7-70.2-165.2178.8-86.14.4123.1
484R33.6Very low33.5Very low248 Ų248152.2 Ų152.294%0.93680%0.801SS**  trans87.6127.6157.9-75.2178.3167.3159.4-3.8116.9
485G28.6Very low33.1Very low75 Ų75150.1 Ų150.177%0.77380%0.801SS**  trans-89.4-142.1175.100000112
486P43.9Very low32.6Very low137 Ų137148.5 Ų148.589%0.8980%0.798SS**  cis-134.7-179.517.142.8-26.4000115.9
487G27.1Very low32.6Very low64 Ų64143.1 Ų143.166%0.6679%0.791SS**  trans113.3114141.700000120.4
488Y28.7Very low32.6Very low224 Ų224139 Ų13988%0.87879%0.788SS**  trans61.5147.4139.6-73.6-83.9000124.5
489T30.6Very low32.6Very low138 Ų138136.1 Ų136.185%0.84779%0.785SS**  trans69.2157.6166.880.30000118.1
490S30.6Very low32.6Very low122 Ų122129.1 Ų129.185%0.85377%0.773SS**  cis-171.6155.5-40.4-170.90000108
491G28Very low32.8Very low53 Ų53134.4 Ų134.455%0.54678%0.782SS.*  trans109.9124.8150.500000119.2
492T28.4Very low32.9Very low128 Ų128130.7 Ų130.779%0.78578%0.775SS**  69.3136.6128.163.30000119
493N30.9Very low32.8Very low144 Ų144135.5 Ų135.577%0.7778%0.779SS**  cis-163.1177.26-95.4-5.3000106.5
494S36.6Very low32.8Very low85 Ų85129.9 Ų129.959%0.59478%0.776SS**  cis-175177.1-28.5-81.60000107.5
495E31.5Very low32.9Very low195 Ų195123.3 Ų123.391%0.91176%0.76SS**  trans74.4137.3167.3-54.7-175.4113.600116.3
496A34.6Very low33.1Very low88 Ų88127.1 Ų127.173%0.72776%0.757SS**  cis-167.8165.2-400000108.9
497S35.7Very low32.5Very low99 Ų99130.4 Ų130.469%0.69275%0.752SS**  cis-172.5169.4-21.3-86.40000109.4
498N31.2Very low32.8Very low164 Ų164132.7 Ų132.788%0.87775%0.749SS**  trans70.8145.1167.9-58.1-6.9000118
499A32.5Very low32.8Very low88 Ų88129.7 Ų129.773%0.72774%0.743SS**  cis-169173.5-22.800000107
500S35.8Very low33Very low93 Ų93130.8 Ų130.865%0.6574%0.743SS**  cis-148.8171.86.1-52.50000111.1
501E34.3Very low33.1Very low167 Ų167131 Ų13178%0.7875%0.745SS**  trans22.2141.4130.3-59.5156.4-163.100120.3
502T38.1Very low33.2Very low129 Ų129135 Ų13579%0.79175%0.753SS**  cis-139.3146.726.1440000111.1
503E31.8Very low33.3Very low166 Ų166138.7 Ų138.778%0.77675%0.753SS**  cis86.4130.735.4-118.7-177-163.700117.3
504S35.8Very low33.3Very low120 Ų120136 Ų13684%0.83975%0.746SS**  trans126.878.4177.354.20000111.2
505D35.8Very low33Very low110 Ų110140.2 Ų140.259%0.58876%0.761SS**  cis84.6145.237.2-155.733.6000115.9
506H32.4Very low32.9Very low155 Ų155135 Ų13572%0.71875%0.751SS**  trans96.2113.3177.3-48-27.4000116.2
507R31.8Very low33.2Very low206 Ų206135.7 Ų135.778%0.77775%0.748SS**  59.6143.751.8-69.6-158.897.6-175.87.4113.4
508D34.1Very low33Very low113 Ų113137 Ų13760%0.60475%0.752SS**  cis-166.7164.3-22.4-120.4-27.5000106
509E29.6Very low33.2Very low161 Ų161136.8 Ų136.875%0.75275%0.745SS**  trans66.8120.1155.5-67.1-178.2170.800123.3
510L34.2Very low33.4Very low160 Ų160138.9 Ų138.984%0.83874%0.74SS**  trans48.9121.7136.6-75.280.5000122.1
511S31.9Very low33.5Very low128 Ų128141.1 Ų141.190%0.89574%0.741SS**  trans-146.1131.7141.7-66.20000110.4
512D30.2Very low33.6Very low136 Ų136140.4 Ų140.473%0.72773%0.731SS**  trans-91.8178.9177.5-178.424.5000110.5
513W30.7Very low33.4Very low206 Ų206140.1 Ų140.178%0.7872%0.72SS**  trans9187.7172.4-68.371.9000119.2
514S29.9Very low33.4Very low88 Ų88135.8 Ų135.862%0.61571%0.708SS**  38.3122.8106.4-52.60000119.7
515L31.3Very low33.1Very low173 Ų173137.2 Ų137.291%0.90670%0.7SS**  179.8128.4113.6-93165.4000111.8
516A29.5Very low32.9Very low86 Ų86140.3 Ų140.371%0.71172%0.715SS**  trans-92.1-16816000000108.5
517P41.3Very low32.9Very low102 Ų102142.3 Ų142.366%0.66272%0.716SS**  cis-141.1-173.9-2.144.1-26000115.4
518T30.8Very low32.9Very low126 Ų126143.3 Ų143.377%0.77372%0.72SS**  -153.8122.9128.536.80000106.6
519E35.2Very low32.7Very low159 Ų159141.2 Ų141.274%0.74373%0.725SS**  68.1141.870-67.9-179.7175.900113.2
520E37.7Very low32.9Very low133 Ų133141.6 Ų141.662%0.62173%0.732SS**  cis-155.7172.8-18.1-118.9-165.8155.600106.3R522E520-R522 WeakPolarHBondContact OE1-CD 3.5Å; E520-R522 IonicContact OE1-CZ 3.55Å; E520-R522 IonicContact OE1-NE 2.72Å; E520-R522 IonicContact OE1-NH1 3.56Å; E520-R522 PolarHBondContact OE1-NH1 3.16Å
521E37.2Very low32.7Very low140 Ų140137.1 Ų137.165%0.65472%0.724SS**  cis-121.5168.44.3-98.6-141.1109.800109.1
522R35.7Very low32.8Very low152 Ų152141.7 Ų141.757%0.57472%0.722SS**  cis74.4142.144.6-55.9174.180-163.11.6112.5E520E520-R522 WeakPolarHBondContact OE1-CD 3.5Å; E520-R522 IonicContact OE1-CZ 3.55Å; E520-R522 IonicContact OE1-NE 2.72Å; E520-R522 IonicContact OE1-NH1 3.56Å; E520-R522 PolarHBondContact OE1-NH1 3.16Å
523E34.3Very low33Very low123 Ų123145.7 Ų145.758%0.57573%0.727SS**  cis-167.8-174.8-0.3-118.9-178.2-150.300107.6
524S31.9Very low33.3Very low75 Ų75147.3 Ų147.352%0.52473%0.733SS.*  cis-158.4136.82-129.30000109.9
525F29.1Very low33.4Very low150 Ų150147 Ų14766%0.65874%0.744SS**  trans30.5145.7135.3-61.9-66.9000122R527F525-R527 HydrophobicContact CD1-CG 4.47Å
526L33.1Very low33.5Very low174 Ų174142.5 Ų142.591%0.91174%0.739SS**  -139.6153.572.8-79.8169.8000116.9
527R32.5Very low33.6Very low197 Ų197142.5 Ų142.574%0.74375%0.747SS**  trans-73.1-178.5177.3-59.5176.7168.6-137.17.9111.3F525F525-R527 HydrophobicContact CD1-CG 4.47Å
528R30.8Very low33.4Very low228 Ų228141 Ų14186%0.8675%0.751SS**  cis179.8152.839.2-156.2-174.4-145.5-1567.2113.6
529G29.4Very low33.6Very low68 Ų68147.5 Ų147.570%0.70176%0.762SS**  trans79.1113151.700000116.7
530D33.9Very low33.4Very low170 Ų170143.5 Ų143.591%0.90976%0.762SS**  73.3127.858.3-168.523.9000114.5
531G29.9Very low33.2Very low65 Ų65146.9 Ų146.967%0.6778%0.779SS**  trans173.627.7-168.200000123.5
532R35.1Very low32.9Very low224 Ų224144 Ų14485%0.84579%0.786SS**  trans65.9123.7150.5-59.7176178.5-178.7-0.2123.3
533R34.1Very low32.7Very low221 Ų221140.1 Ų140.183%0.83479%0.794SS**  78.5127.9127.9-73-178171.8-168.8-1.6123.2
534R37.1Very low32.7Very low239 Ų239146.7 Ų146.790%0.90281%0.813SS**  trans52.8121.9151.4-75.9179.3167.5165.8-5.3116.4
535G31.2Very low32.5Very low82 Ų82146.5 Ų146.585%0.84582%0.823SS**  cis86.6131.640.900000109.6
536G33.4Very low32.8Very low78 Ų78151.5 Ų151.580%0.80484%0.837SS**  cis175.2-176-0.800000109.7
537G31.1Very low32.6Very low86 Ų86146.9 Ų146.989%0.88783%0.832SS**  trans82.8123.3168.400000116.2
538G36.8Very low32.6Very low72 Ų72141.7 Ų141.774%0.74284%0.84SS**  trans-103.9172.9167.400000112.5
539R35.1Very low32.6Very low262 Ų262134.3 Ų134.399%0.98983%0.834SS**  trans175.8158.6160.1-101.6163.1-172-160.13.2109.1
540G31.3Very low32.7Very low74 Ų74140.7 Ų140.776%0.76384%0.843SS**  trans125.568.6150.300000119.4
541Q34.6Very low32.8Very low205 Ų205143 Ų14396%0.95885%0.845SS**  trans-9.8140.2138.6-175.4179.757.500119.9
542G30.3Very low32.9Very low79 Ų79142.5 Ų142.581%0.81484%0.84SS**  trans96151.2162.200000115.5
543G31.6Very low32.7Very low71 Ų71138.5 Ų138.573%0.73284%0.836SS**  cis158.9128-7.400000112.6
544R33.4Very low32.7Very low261 Ų261134.2 Ų134.299%0.98583%0.829SS**  trans65.7134.5170-56.9176.6173.3-179.9-2.3118.8
545G29.6Very low32.6Very low70 Ų70128.7 Ų128.772%0.72282%0.818SS**  trans141.4111137.900000118.6
546R33.6Very low32.9Very low255 Ų255132.3 Ų132.396%0.96281%0.812SS**  trans26.5122.1138.9-57.2175.2174.2-171.7-3.5117.4
547G30.2Very low33Very low78 Ų78133.2 Ų133.280%0.80481%0.807SS**  cis118.8130.741.800000110.3
548G32.1Very low33.1Very low88 Ų88141.1 Ų141.191%0.90781%0.81SS**  trans75.4148.1175.200000115.8
549G30.5Very low32.9Very low72 Ų72143.3 Ų143.374%0.74281%0.809SS**  cis152.6145.5-3.300000112.2
550F31.8Very low32.7Very low202 Ų202137.3 Ų137.389%0.88680%0.796SS**  trans73.6109.7164.4-84.1-92000122.5
551K36.7Very low32.8Very low218 Ų218139.6 Ų139.695%0.94879%0.791SS**  -172.9127.7122.7-104.9-180176.4-178.20107.8
552G31.8Very low32.7Very low56 Ų56140.8 Ų140.858%0.57779%0.787SS**  cis178.9162.8-9.800000109.6
553N31.1Very low33.3Very low140 Ų140142.7 Ų142.775%0.74979%0.785SS**  trans40.8142.8152.8-68.651.3000121.2
554D34.3Very low33.5Very low130 Ų130151.2 Ų151.270%0.69580%0.795SS**  cis-165.3173.7-4.5-84.2-26.8000107.6
555D34.6Very low33.4Very low123 Ų123146.3 Ų146.366%0.65879%0.788SS**  cis-169.9172.3-44.4-169.219.5000108.7
556H37.8Very low33.9Very low158 Ų158148.2 Ų148.273%0.73179%0.788SS**  trans66.6146.9172.8-60.284.3000119.3
557S34.1Very low34.2Very low98 Ų98147.5 Ų147.569%0.68579%0.785SS**  cis-173.3141.4-35.355.90000109.3
558R34.2Very low34.1Very low252 Ų252153.4 Ų153.495%0.95179%0.792SS**  trans-170.1128.3144.1-109.2173.1-170.6-1702.5112
559T32.1Very low34.2Very low118 Ų118153.5 Ų153.572%0.72478%0.784SS**  trans-78.1157.5173.446.50000110.5
560D31.8Very low34.4Very low135 Ų135160.6 Ų160.672%0.72279%0.794SS**  -142.5143.654.3-92.5-45.3000112.6
561N32.3Very low34.3Very low123 Ų123154.8 Ų154.866%0.65879%0.791SS**  53126.478.8-64.3-48.2000113.3
562R33Very low34.1Very low230 Ų230155.7 Ų155.787%0.86879%0.789SS**  cis-155-175.819.7-119.8-167.8179.9175.51.1110.4
563P42.6Very low34Very low119 Ų119159 Ų15977%0.77380%0.798SS**  trans-119.6175.7-135.136.9-17.8000116.9
564R35.2Very low34.1Very low250 Ų250158 Ų15894%0.94380%0.797SS**  trans-78.1130.3175.8-163.4-179.8-160.7162.94.2110.8
565N31.7Very low34Very low157 Ų157159.8 Ų159.884%0.8481%0.807SS**  trans-114.2139.3-177.7-148.231000112.3
566P41.4Very low33.7Very low110 Ų110157 Ų15771%0.71481%0.806SS**  trans-97.8170.6178.537.2-33.1000114.7
567R38.4Very low33.2Very low241 Ų241154.5 Ų154.591%0.90981%0.807SS**  trans-32.8148.8179-70.9172.7165.4158.2-5.1118.5
568E29.1Very low33Very low202 Ų202157.7 Ų157.794%0.94482%0.816SS**  -153.3-175.1128.8-124.1176.4-14400113.1
569A34.3Very low32.8Very low90 Ų90154.5 Ų154.574%0.74481%0.811SS**  trans-139.8173.6-155.200000116.7
570K33.3Very low32.6Very low221 Ų221156 Ų15696%0.96181%0.813SS**  trans92.5139.9167.5-66.4-179172.7175.40119.6
571G30.5Very low32.4Very low80 Ų80159.7 Ų159.783%0.82582%0.817SS**  trans173.4130162.800000111
572R31.5Very low32.4Very low237 Ų237159.7 Ų159.789%0.89482%0.821SS**  trans-151.4131.8-174-174.5-165-161.4-161.47.9112.2
573T31.6Very low32.2Very low126 Ų126155.3 Ų155.377%0.77382%0.815SS**  trans-152124.7162.543.50000106.6
574T31.4Very low31.7Very low119 Ų119154.7 Ų154.773%0.7381%0.812SS**  59.3124.966.665.20000113
575D33.9Very low31.4Very low167 Ų167150.7 Ų150.789%0.89381%0.809SS**  cis-160.7168.23.3-160-11.4000110
576G26.9Very low31.4Very low63 Ų63149.9 Ų149.965%0.64981%0.805SS**  trans162.774.4174.400000120.9
577S28.8Very low30.9Very low106 Ų106153.8 Ų153.874%0.74181%0.814SS**  trans49.4108.215066.50000123.2
578L29.4Very low30.5Very low166 Ų166153 Ų15387%0.86981%0.811SS**  37119.2125.2-58.1171.8000121
579Q28.9Very low30.7Very low184 Ų184148.2 Ų148.286%0.8680%0.8SS**  -170.2146101.3-104.5174.55.800113.4
580I28.6Very low30.5Very low149 Ų149149.9 Ų149.976%0.76480%0.801SS**  trans-88.3130.3174.9-64.5166.3000108.7V582I580-V582 HydrophobicContact CG2-CG2 4.24Å
581R27Very low30.3Very low214 Ų214147.5 Ų147.581%0.80879%0.793SS**  trans-132.1111.9150.5-82.9-165.2166.2109.9-0109.4
582V32.3Very low30.4Very low122 Ų122148.9 Ų148.974%0.73979%0.785SS**  trans-91.7110.8161173.70000105.2I580I580-V582 HydrophobicContact CG2-CG2 4.24Å
583D30.5Very low30.3Very low139 Ų139146.6 Ų146.674%0.74378%0.782SS**  trans-126.3102.4165.2-77.5-56.4000107.8
584C30.2Very low30.2Very low105 Ų105146.6 Ų146.671%0.70978%0.782SS**  trans-77.7124.2166.139.20000109
585N29.9Very low30.1Very low166 Ų166149 Ų14989%0.88879%0.789SS**  trans-161.8142.1135.1-102.3-15.1000112.9
586N31Very low29.9Very low141 Ų141149.9 Ų149.975%0.75479%0.788SS**  trans-112.4116.1-179.115454.5000108
587E32.5Very low30Very low191 Ų191154.9 Ų154.989%0.89380%0.8SS**  trans-131.389.6163.3-72.4-158.416500111.8
588R29.8Very low30Very low225 Ų225155.7 Ų155.785%0.84980%0.8SS**  trans-13.7123142.1-176.3-170.3-124.1-1277115.1
589S31.8Very low30.1Very low101 Ų101153.6 Ų153.671%0.70680%0.8SS**  trans-150101.7134.8-167.30000111.7H591S589-H591 PolarHBondContact OG-ND1 2.62Å
590V30.6Very low30Very low126 Ų126150.3 Ų150.376%0.76480%0.797SS**  trans-88.4127.9158-168.50000105.5
591H30.4Very low30.2Very low171 Ų171152.9 Ų152.979%0.79281%0.806SS**  trans-129.8131166.4-100.762.2000111.3S589S589-H591 PolarHBondContact OG-ND1 2.62Å
592T31Very low30.2Very low109 Ų109146.2 Ų146.267%0.66980%0.803SS**  trans-92.2152.8-173.549.60000111.3
593K30.3Very low30.3Very low189 Ų189145.9 Ų145.982%0.82281%0.807SS**  trans174.2112.6131.9-92.7153.9-173.3179.90108.5
594T29.2Very low30.3Very low126 Ų126150.9 Ų150.977%0.77382%0.815SS**  91.1117.684-60.10000110.9
595L28.3Very low30.5Very low170 Ų170153.8 Ų153.889%0.8982%0.823SS**  trans-66.5132.3175.7-73.3151.8000111
596Q30.2Very low30.4Very low184 Ų184157.8 Ų157.886%0.8683%0.825SS**  trans-126.7129.8151.6-85.5-172.9-26.300108.9
597N28.6Very low30.5Very low169 Ų169157.9 Ų157.990%0.90483%0.831SS**  trans-98.5106.5-174.6-158.725.8000108.2
598T29.3Very low30.5Very low123 Ų123152.5 Ų152.576%0.75583%0.827SS**  trans-138.1125.5170.552.40000110.7
599S31.2Very low30.6Very low122 Ų122151.7 Ų151.785%0.85383%0.829SS**  trans-72.5130.1174.8480000112.2
600S28.1Very low30.5Very low114 Ų114154.5 Ų154.580%0.79784%0.837SS**  trans-162.2142.3151.642.40000110.9
601E31.3Very low30.6Very low204 Ų204160.1 Ų160.195%0.95384%0.844SS**  trans-71.1146.4173.1-62.5178.6113.200110.7
602G28.6Very low30.6Very low73 Ų73160 Ų16075%0.75385%0.849SS**  trans-168.281.2-17600000113.7R604G602-R604 PolarHBondContact O-N 3.15Å
603S33.8Very low30.7Very low116 Ų116163.5 Ų163.581%0.81186%0.858SS**  trans-59.5130.8172.4-172.50000111.4
604R30.6Very low30.9Very low243 Ų243164.4 Ų164.492%0.91786%0.862SS**  trans-153.6106.9164.4-109.9161.2-156.1-162.14.9112.7G602G602-R604 PolarHBondContact O-N 3.15Å
605L33.5Very low31.1Very low167 Ų167168 Ų16887%0.87487%0.867SS**PPolyproline II helixtrans-61.3139.4168.9-67.9153.4000110.5
606R28.4Very low31.3Very low250 Ų250169.2 Ų169.294%0.94387%0.868SS**PPolyproline II helixtrans-86123165.5-91.5-174.5171.2-177.2-1.9109.7G608R606-G608 PolarHBondContact O-N 2.77Å
607T33.4Very low31.7Very low143 Ų143170 Ų17088%0.87787%0.869SS**PPolyproline II helixtrans-70.7117.9173.237.50000110.9
608G31.9Very low32.3Very low78 Ų78167.3 Ų167.380%0.80486%0.86SS**PPolyproline II helixtrans-80.6135.7170.200000110.8R606R606-G608 PolarHBondContact O-N 2.77Å
609K31.7Very low32.5Very low207 Ų207169.6 Ų169.690%0.987%0.868SS**PPolyproline II helixtrans-83.6143.1-168.7-161.5170.6-175.41740112.4
610D30.2Very low32.6Very low161 Ų161169.1 Ų169.186%0.86187%0.865SS**PPolyproline II helixtrans-56.3148.8-172.5-56.9-86.9000115.5
611R32Very low32.9Very low244 Ų244171 Ų17192%0.92187%0.871SS**  trans-123.6117.2166.8-142.8175.9-169.5-179.12.6109.9
612N30.3Very low33.2Very low167 Ų167169.1 Ų169.189%0.89387%0.867SS**PPolyproline II helixtrans-70.8131-166.2-149.81.9000112.2
613Q34.1Very low33.3Very low183 Ų183169.3 Ų169.386%0.85587%0.87SS**PPolyproline II helixtrans-84.5144.3172-66.7-174.414.500110.6
614K33.2Very low33.3Very low209 Ų209172.5 Ų172.591%0.90987%0.872SS**PPolyproline II helixtrans-99.4129.5-179.4-149.7178.2-176.2-172.40109.7
615K33.9Very low33.6Very low200 Ų200169.2 Ų169.287%0.8787%0.867SS**PPolyproline II helixtrans-61.6142.1178.7-73.2174.3170.6174.90112.4
616E33.1Very low34.7Very low197 Ų197165.9 Ų165.992%0.92186%0.855SS**  trans-125.2153.1142.9-71.4-168.6147.400109.6
617K37.9Very low35.2Very low201 Ų201161.5 Ų161.587%0.87485%0.849SS**  trans-101.1155.6179.6-92.6-174.6169.2-170.20109.8
618P40.9Very low35.5Very low112 Ų112159.9 Ų159.973%0.72784%0.839SS**  trans-85.8149.8169.435.8-32.6000111.5
619D34.5Very low35.8Very low171 Ų171163.8 Ų163.891%0.91484%0.841SS**  trans-126.9148.7156.8-88.3-40.6000108.8
620S34Very low36Very low112 Ų112157.7 Ų157.778%0.78384%0.838SS**  trans-128.2132.6178.3-58.10000109.9
621V34.4Very low36.4Very low152 Ų152156.5 Ų156.592%0.92184%0.836SS**  trans-150.8143.3153.9-173.90000109.8
622D36.2Very low37.8Very low165 Ų165154.2 Ų154.288%0.88285%0.853SS**  trans-63.1163.6176.3-76-72.9000117
623G31.2Very low38.1Very low78 Ų78153.6 Ų153.680%0.80485%0.851SS**  trans-176.5126.2163.400000113.9
624Q33.1Very low38.3Very low183 Ų183152 Ų15286%0.85585%0.85SS**  trans-93.9139.6-168.1-71.5172.3-44.900116.2
625Q38.1Very low38.6Very low174 Ų174148.8 Ų148.881%0.81385%0.847SS**  trans61.5167.1136.2-74.5-161.3-3.900121.5
626P56.9Low38.9Very low96 Ų96145.8 Ų145.862%0.62385%0.846SS**  -135.4-162.4-62.636.5-15.5000113.1
627L38.7Very low39.3Very low158 Ų158142.6 Ų142.683%0.82784%0.841SS**  trans82.6147.9166.3-55.5168000117.3
628V40Very low39.4Very low109 Ų109138.7 Ų138.766%0.66184%0.839SS**  cis-168.3157.1-21.6117.70000110.5
629N37.3Very low39.3Very low160 Ų160140.6 Ų140.686%0.85685%0.847SS**  trans67.1141.4163.3-74.1-11.2000122.6
630G35.3Very low39.6Very low80 Ų80138.3 Ų138.383%0.82584%0.842SS**  trans144.272.5147.200000118.9
631V40.5Very low40.1Very low136 Ų136140.5 Ų140.582%0.82485%0.846SS**  trans-92.6150.9164.3165.20000107.4
632P59.7Low40.6Very low195 Ų195139.5 Ų139.5100%1.26684%0.84SS**  cis-87.8038.6-13.432.9000117.5

Retrieved 632 of 632 residues in 118.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).