A0A077Z778_TRITR Loading...

Heterogeneous nuclear

AlphaFold DB , UniProt , Accession A0A077Z778, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45Very low51.7Low246 Ų246121.5 Ų121.5100%1.21266%0.656SS**  0103.40-72.5-180171.500104.7
2D41.9Very low55.2Low140 Ų140111.5 Ų111.575%0.74960%0.602SS**  trans-68.7143.117574.174.8000108.9
3D45.6Very low58.2Low143 Ų143102.9 Ų102.977%0.76556%0.556SS**  trans-135.577.2162-170.218.4000106.5
4S45.2Very low60.9Low82 Ų8299.6 Ų99.657%0.57353%0.531SS*.  trans-94.480.2170.138.90000109.2H6S4-H6 PolarHBondContact O-N 2.9Å
5T48Very low63.3Low113 Ų11392.9 Ų92.969%0.69350%0.496SS*.  trans-73.566.6160.359.10000109.6D7T5-D7 VanDerWaalsContact C-N 3.26Å; T5-D7 PolarHBondContact O-N 3.35Å
6H39.9Very low65.3Low176 Ų17694.1 Ų94.182%0.81549%0.491SS*.  trans-85.973.7159.8-77.852.8000107.3S4S4-H6 PolarHBondContact O-N 2.9Å
7D43.1Very low66.9Low147 Ų14789.3 Ų89.379%0.78647%0.469SS*.  trans-124.397.4179.3-106-27.8000110.7T5T5-D7 VanDerWaalsContact C-N 3.26Å; T5-D7 PolarHBondContact O-N 3.35Å
8I50.2Low68.3Low130 Ų13084.4 Ų84.467%0.66744%0.444SS*.  trans65.785.7168.9-40.2172.5000114.1E10I8-E10 PolarHBondContact O-N 3.34Å
9S52.1Low69.4Low82 Ų8281.5 Ų81.557%0.57343%0.43SS*.  trans-55.599.5162.353.30000109.2N11S9-N11 PolarHBondContact O-N 3.14Å; S9-N11 PolarHBondContact O-OD1 3.38Å
10E68.1Low70.1Confident48 Ų4882 Ų8222%0.22443%0.426CS..  trans-66.798.4177.1-64.8175.9147.300107.7I8 I12 H84 K86 R87I8-E10 PolarHBondContact O-N 3.34Å; E10-I12 PolarHBondContact O-N 3.08Å; E10-H84 PolarHBondContact O-CE1 3.17Å; E10-K86 WeakPolarHBondContact OE2-CA 3.39Å; E10-K86 WeakPolarHBondContact OE2-CB 3.33Å; E10-K86 WeakPolarHBondContact OE2-CG 3.39Å; E10-R87 HydrophobicContact CG-CB 4.09Å; E10-R87 VanDerWaalsContact OE1-CB 3.25Å; E10-R87 WeakPolarHBondContact OE1-CB 3.34Å; E10-R87 PolarHBondContact OE1-N 3.05Å; E10-R87 PolarHBondContact OE2-N 3.01Å
11N89.9Confident70.7Confident30 Ų3080.5 Ų80.516%0.1642%0.423CS..  trans-74.748.1-177.9-67.1-25.2000111.9S9 F58 K59 T61 V64S9-N11 PolarHBondContact O-N 3.14Å; S9-N11 PolarHBondContact O-OD1 3.38Å; N11-F58 HydrophobicContact CB-CB 4.2Å; N11-F58 WeakPolarHBondContact CB-O 3.34Å; N11-F58 PolarHBondContact ND2-O 2.64Å; N11-F58 PolarHBondContact O-N 3.33Å; N11-K59 PolarHBondContact ND2-O 2.83Å; N11-T61 WeakPolarHBondContact OD1-CG2 3.43Å; N11-V64 HydrophobicContact CB-CG2 3.87Å
12I93Very high72.7Confident1 Ų169.6 Ų69.61%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-116.4129.5-170.9-57.2173.7000109.4E10 Y55 L56 E57 A85 R87 M90E10-I12 PolarHBondContact O-N 3.08Å; I12-Y55 HydrophobicContact CG2-CD1 4.12Å; I12-L56 WeakPolarHBondContact CA-O 3.36Å; I12-E57 HydrophobicContact CG1-CG 4.26Å; I12-A85 HydrophobicContact CG2-CB 4.07Å; I12-A85 PolarHBondContact O-N 2.95Å; I12-R87 VanDerWaalsContact CD1-CA 3.45Å; I12-R87 HydrophobicContact CD1-CB 3.56Å; I12-R87 HydrophobicContact CD1-CG 4.02Å; I12-M90 HydrophobicContact CD1-CE 3.92Å; I12-M90 HydrophobicContact CD1-SD 4.06Å; I12-M90 HydrophobicContact CG2-CB 4.41Å; I12-M90 HydrophobicContact CG2-SD 3.87Å
13V95.1Very high74.9Confident0 Ų068.5 Ų68.50%036%0.359CS..EExtended strand (participates in β ladder)trans-117.7130.7178.8175.20000109.1V15 Y55 L56 F58 V64 A67 V82 F83V13-V15 HydrophobicContact CG1-CG1 4.14Å; V13-Y55 CarbonylContact O-C 3.58Å; V13-Y55 WeakPolarHBondContact O-CA 3.33Å; V13-L56 HydrophobicContact CB-CB 4.37Å; V13-L56 PolarHBondContact N-O 2.87Å; V13-L56 PolarHBondContact O-N 2.83Å; V13-F58 HydrophobicContact CB-CD2 4.46Å; V13-F58 HydrophobicContact CB-CE2 3.9Å; V13-F58 HydrophobicContact CG2-CD2 3.97Å; V13-F58 HydrophobicContact CG2-CE2 3.66Å; V13-V64 HydrophobicContact CG2-CB 4.34Å; V13-V64 HydrophobicContact CG2-CG1 3.74Å; V13-V64 HydrophobicContact CG2-CG2 4.44Å; V13-A67 HydrophobicContact CG2-CB 4.23Å; V13-V82 HydrophobicContact CG1-CG1 3.15Å; V13-F83 CarbonylContact C-O 3.57Å; V13-F83 WeakPolarHBondContact CA-O 3.47Å; V13-F83 WeakPolarHBondContact CG1-O 3.35Å
14R95.8Very high77Confident56 Ų5665.6 Ų65.621%0.21134%0.341CS..EExtended strand (participates in β ladder)trans-94.3124.9170.4-176.4-178.775.4136.42.7109.4Y55 F83 A85R14-Y55 HydrophobicContact CB-CD1 3.87Å; R14-Y55 HydrophobicContact CB-CE1 3.67Å; R14-Y55 WeakPolarHBondContact CD-OH 3.39Å; R14-Y55 HydrophobicContact CG-CD1 4.15Å; R14-Y55 HydrophobicContact CG-CE1 3.69Å; R14-F83 PolarHBondContact N-O 3.3Å; R14-F83 PolarHBondContact O-N 2.88Å; R14-A85 HydrophobicContact CB-CB 3.78Å
15V96.6Very high79.3Confident0 Ų067 Ų670%034%0.339CS..EExtended strand (participates in β ladder)trans-109.2139.2174.7-620000110.2V13 L18 F31 E53 A54 L56 I80 E81 V82V13-V15 HydrophobicContact CG1-CG1 4.14Å; V15-L18 HydrophobicContact CG2-CD1 3.78Å; V15-L18 HydrophobicContact CG2-CD2 4.39Å; V15-L18 HydrophobicContact CG2-CG 4.21Å; V15-F31 HydrophobicContact CG1-CE2 3.9Å; V15-F31 HydrophobicContact CG1-CZ 3.55Å; V15-E53 CarbonylContact O-C 3.43Å; V15-E53 VanDerWaalsContact O-CA 3.24Å; V15-E53 WeakPolarHBondContact O-CA 3.45Å; V15-A54 HydrophobicContact CG2-CB 3.74Å; V15-A54 VanDerWaalsContact CG2-O 3.32Å; V15-A54 WeakPolarHBondContact CG2-O 3.37Å; V15-A54 PolarHBondContact N-O 3.17Å; V15-A54 PolarHBondContact O-N 3.06Å; V15-L56 HydrophobicContact CG1-CD1 3.68Å; V15-L56 HydrophobicContact CG1-CG 4.18Å; V15-L56 HydrophobicContact CG2-CD1 4.39Å; V15-L56 HydrophobicContact CG2-CD2 4.43Å; V15-L56 HydrophobicContact CG2-CG 4.27Å; V15-I80 HydrophobicContact CB-CG2 4.19Å; V15-E81 CarbonylContact C-O 3.52Å; V15-E81 WeakPolarHBondContact CA-O 3.12Å; V15-V82 HydrophobicContact CG1-CG1 4.21Å; V15-V82 HydrophobicContact CG1-CG2 4.31Å
16R94.9Very high81.4Confident112 Ų11264.2 Ų64.242%0.42332%0.32SS..EExtended strand (participates in β ladder)trans-136.3151-178.7177.6170.8-164.1-122.23.9110.6G52 E53 I80 E81 F83R16-G52 CarbonylContact C-O 3.53Å; R16-E53 HydrophobicContact CB-CG 4.02Å; R16-E53 WeakPolarHBondContact CD-OE1 3.38Å; R16-E53 HydrophobicContact CG-CG 3.8Å; R16-E53 IonicContact CZ-OE1 3Å; R16-E53 IonicContact NE-OE1 3.55Å; R16-E53 PolarHBondContact NE-OE1 3Å; R16-I80 CarbonylContact O-C 3.53Å; R16-I80 WeakPolarHBondContact O-CA 3.48Å; R16-E81 HydrophobicContact CB-CB 4.3Å; R16-E81 PolarHBondContact N-O 2.86Å; R16-E81 IonicContact NH1-OE2 3.94Å; R16-E81 PolarHBondContact NH1-OE2 3.28Å; R16-E81 PolarHBondContact O-N 3.5Å; R16-F83 HydrophobicContact CB-CE2 4.49Å
17G92.8Very high84Confident12 Ų1255.9 Ų55.912%0.12428%0.281CS..  trans91.78.9-178.500000113.4G52 R78 I80G17-G52 PolarHBondContact N-O 3.43Å; G17-R78 WeakPolarHBondContact O-CB 3.25Å; G17-R78 WeakPolarHBondContact O-CD 3.42Å; G17-R78 PolarHBondContact O-NE 3.08Å; G17-I80 WeakPolarHBondContact O-CD1 3.05Å
18L93Very high86.5Confident2 Ų253.4 Ų53.41%0.0126%0.261CS..  trans-57.2133.7175.8-65.6172.5000110.3V15 W20 I27 F42 G52 A54 M75 R78 I80V15-L18 HydrophobicContact CG2-CD1 3.78Å; V15-L18 HydrophobicContact CG2-CD2 4.39Å; V15-L18 HydrophobicContact CG2-CG 4.21Å; L18-W20 PolarHBondContact O-N 3.42Å; L18-I27 HydrophobicContact CD1-CD1 3.78Å; L18-I27 HydrophobicContact CD1-CG1 4.48Å; L18-I27 HydrophobicContact CD2-CD1 4.3Å; L18-I27 HydrophobicContact CD2-CG1 4.12Å; L18-F42 HydrophobicContact CD1-CE1 4.24Å; L18-G52 PolarHBondContact N-O 3.14Å; L18-G52 WeakPolarHBondContact O-CA 3.44Å; L18-A54 HydrophobicContact CD1-CB 3.65Å; L18-M75 HydrophobicContact CD2-CE 3.82Å; L18-M75 HydrophobicContact CD2-SD 3.92Å; L18-R78 PolarHBondContact O-NH1 3.37Å; L18-I80 HydrophobicContact CD2-CD1 3.95Å
19P88Confident88.6Confident29 Ų2954.2 Ų54.219%0.18826%0.259CS..  trans-46.8138.6164.3-25.230.7000111.1S21 S22 M75P19-S21 PolarHBondContact O-N 3.08Å; P19-S21 VanDerWaalsContact O-N 3.13Å; P19-S22 WeakPolarHBondContact CB-OG 2.96Å; P19-S22 WeakPolarHBondContact CD-OG 3.26Å; P19-S22 WeakPolarHBondContact CG-OG 3.42Å; P19-S22 VanDerWaalsContact O-CB 3.24Å; P19-S22 WeakPolarHBondContact O-CB 3.03Å; P19-S22 PolarHBondContact O-N 3.29Å; P19-S22 PolarHBondContact O-OG 3Å; P19-S22 VanDerWaalsContact O-OG 3.13Å; P19-M75 HydrophobicContact CG-CG 4.32Å; P19-M75 HydrophobicContact CG-SD 4.27Å
20W84.2Confident90.6Very high91 Ų9151.4 Ų51.435%0.34524%0.237SC..THydrogen-bonded Turntrans-68.2-12-178.5-65-35.1000113.5L18 P50 F184L18-W20 PolarHBondContact O-N 3.42Å; W20-P50 HydrophobicContact CB-CG 4.11Å; W20-P50 WeakPolarHBondContact O-CG 3.31Å; W20-F184 HydrophobicContact CB-CD1 4.42Å; W20-F184 HydrophobicContact CB-CE1 3.74Å; W20-F184 AromaticContact CE3-CE1 3.87Å; W20-F184 HydrophobicContact CE3-CE1 3.87Å; W20-F184 HydrophobicContact CE3-CE2 4.5Å; W20-F184 AromaticContact CE3-CZ 3.61Å; W20-F184 HydrophobicContact CE3-CZ 3.61Å; W20-F184 HydrophobicContact CZ3-CZ 4.23Å
21S82.3Confident91.9Very high50 Ų5049.2 Ų49.235%0.3523%0.226SC..THydrogen-bonded Turntrans-92.6-6.4172.945.40000113.5P19 K23 H172P19-S21 PolarHBondContact O-N 3.08Å; P19-S21 VanDerWaalsContact O-N 3.13Å; S21-K23 PolarHBondContact O-N 3.38Å; S21-H172 PolarHBondContact OG-NE2 2.76Å
22S86.4Confident92Very high18 Ų1854.3 Ų54.313%0.12625%0.249CC..  trans-60.3131.1-177-69.50000111.8P19P19-S22 WeakPolarHBondContact CB-OG 2.96Å; P19-S22 WeakPolarHBondContact CD-OG 3.26Å; P19-S22 WeakPolarHBondContact CG-OG 3.42Å; P19-S22 VanDerWaalsContact O-CB 3.24Å; P19-S22 WeakPolarHBondContact O-CB 3.03Å; P19-S22 PolarHBondContact O-N 3.29Å; P19-S22 PolarHBondContact O-OG 3Å; P19-S22 VanDerWaalsContact O-OG 3.13Å
23K88.2Confident92Very high116 Ų11656.3 Ų56.350%0.50426%0.26SS..  trans-103.1174.2172.1-59.9177.8-176.1172.10110.4S21 E25 D26 I27S21-K23 PolarHBondContact O-N 3.38Å; K23-E25 WeakPolarHBondContact CB-OE2 3.29Å; K23-E25 PolarHBondContact O-N 2.96Å; K23-D26 PolarHBondContact N-OD2 2.87Å; K23-D26 PolarHBondContact O-N 3.21Å; K23-I27 PolarHBondContact O-N 3.24Å
24E91.1Very high91.9Very high83 Ų8356.7 Ų56.739%0.38826%0.263SS..Hα-helixtrans-56.6-37.9174.7162.2165.3-166.400111.8D26 I27 R28 I40 F42E24-D26 VanDerWaalsContact C-N 3.28Å; E24-D26 PolarHBondContact O-N 2.96Å; E24-I27 PolarHBondContact O-N 2.93Å; E24-R28 HydrophobicContact CG-CG 4.42Å; E24-R28 WeakPolarHBondContact O-CG 3.24Å; E24-R28 PolarHBondContact O-N 2.8Å; E24-R28 IonicContact OE1-CZ 3.85Å; E24-R28 IonicContact OE1-NE 3.77Å; E24-R28 PolarHBondContact OE1-NE 3.4Å; E24-R28 IonicContact OE1-NH2 3.77Å; E24-R28 PolarHBondContact OE1-NH2 3.29Å; E24-I40 HydrophobicContact CB-CD1 4.32Å; E24-I40 HydrophobicContact CG-CD1 3.81Å; E24-F42 HydrophobicContact CB-CE2 4.46Å
25E92.5Very high91.6Very high111 Ų11159.7 Ų59.752%0.51929%0.287SS..Hα-helixtrans-63.8-35179.7-54.889.117700112.3K23 R28 K29K23-E25 WeakPolarHBondContact CB-OE2 3.29Å; K23-E25 PolarHBondContact O-N 2.96Å; E25-R28 PolarHBondContact O-N 2.99Å; E25-K29 WeakPolarHBondContact O-CB 3.42Å; E25-K29 VanDerWaalsContact O-CG 3.23Å; E25-K29 WeakPolarHBondContact O-CG 3.37Å; E25-K29 PolarHBondContact O-N 3.1Å
26D92.6Very high91.3Very high55 Ų5560.3 Ų60.329%0.29429%0.291SS..Hα-helixtrans-69.3-38.6179.5-57.6-43.7000111.4K23 E24 K29 F30K23-D26 PolarHBondContact N-OD2 2.87Å; K23-D26 PolarHBondContact O-N 3.21Å; E24-D26 VanDerWaalsContact C-N 3.28Å; E24-D26 PolarHBondContact O-N 2.96Å; D26-K29 PolarHBondContact O-N 3.46Å; D26-F30 WeakPolarHBondContact O-CB 3.02Å; D26-F30 PolarHBondContact O-N 2.72Å
27I94.6Very high91.2Very high0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-66.6-45.1175.6-63.5179.8000110.1L18 K23 E24 K29 F30 F31 L37 I40 F42 A54 L56 M75L18-I27 HydrophobicContact CD1-CD1 3.78Å; L18-I27 HydrophobicContact CD1-CG1 4.48Å; L18-I27 HydrophobicContact CD2-CD1 4.3Å; L18-I27 HydrophobicContact CD2-CG1 4.12Å; K23-I27 PolarHBondContact O-N 3.24Å; E24-I27 PolarHBondContact O-N 2.93Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.33Å; I27-F30 PolarHBondContact O-N 2.95Å; I27-F30 VanDerWaalsContact O-N 3.15Å; I27-F31 HydrophobicContact CG2-CD2 3.68Å; I27-F31 HydrophobicContact CG2-CE2 3.94Å; I27-F31 WeakPolarHBondContact O-CD2 3.41Å; I27-F31 PolarHBondContact O-N 3.32Å; I27-L37 HydrophobicContact CG2-CD2 4.49Å; I27-I40 HydrophobicContact CB-CD1 4.02Å; I27-I40 HydrophobicContact CD1-CG2 3.82Å; I27-I40 HydrophobicContact CG2-CD1 3.85Å; I27-F42 HydrophobicContact CD1-CE1 3.52Å; I27-F42 HydrophobicContact CD1-CE2 4.29Å; I27-F42 HydrophobicContact CD1-CZ 3.36Å; I27-F42 HydrophobicContact CG1-CZ 4.35Å; I27-A54 HydrophobicContact CD1-CB 4.36Å; I27-L56 HydrophobicContact CG2-CD1 4.12Å; I27-L56 HydrophobicContact CG2-CD2 3.77Å; I27-M75 HydrophobicContact CG1-CE 4.46Å
28R94.8Very high91.1Very high96 Ų9660 Ų6036%0.36229%0.292SS..Hα-helixtrans-61.5-34.9176.5-70.2-174.9-177.7-76.2-0112.4E24 E25 F31 H32 L37 I40E24-R28 HydrophobicContact CG-CG 4.42Å; E24-R28 WeakPolarHBondContact O-CG 3.24Å; E24-R28 PolarHBondContact O-N 2.8Å; E24-R28 IonicContact OE1-CZ 3.85Å; E24-R28 IonicContact OE1-NE 3.77Å; E24-R28 PolarHBondContact OE1-NE 3.4Å; E24-R28 IonicContact OE1-NH2 3.77Å; E24-R28 PolarHBondContact OE1-NH2 3.29Å; E25-R28 PolarHBondContact O-N 2.99Å; R28-F31 CarbonylContact O-C 3.55Å; R28-H32 PolarHBondContact O-N 3.33Å; R28-L37 HydrophobicContact CG-CD2 4.08Å; R28-L37 PolarHBondContact NH1-O 3.17Å; R28-I40 HydrophobicContact CG-CD1 4.23Å
29K94.2Very high91.1Very high146 Ų14663.6 Ų63.664%0.63531%0.311SS*.Hα-helixtrans-71-35.4174-74.4169.5-173.2171.50113.2E25 D26 I27 H32E25-K29 WeakPolarHBondContact O-CB 3.42Å; E25-K29 VanDerWaalsContact O-CG 3.23Å; E25-K29 WeakPolarHBondContact O-CG 3.37Å; E25-K29 PolarHBondContact O-N 3.1Å; D26-K29 PolarHBondContact O-N 3.46Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.33Å; K29-H32 WeakPolarHBondContact O-CB 3.33Å
30F94.7Very high91.4Very high23 Ų2362.8 Ų62.810%0.10131%0.305CS..Hα-helixtrans-70.6-48.5178.8-176.3-95.4000110.8D26 I27 H32 H70 E73 M75 I80D26-F30 WeakPolarHBondContact O-CB 3.02Å; D26-F30 PolarHBondContact O-N 2.72Å; I27-F30 PolarHBondContact O-N 2.95Å; I27-F30 VanDerWaalsContact O-N 3.15Å; F30-H32 PolarHBondContact O-N 3.33Å; F30-H32 VanDerWaalsContact O-N 3.09Å; F30-H32 PolarHBondContact O-ND1 3.01Å; F30-H70 HydrophobicContact CE1-CB 3.86Å; F30-H70 HydrophobicContact CZ-CB 4.35Å; F30-E73 HydrophobicContact CE2-CB 3.94Å; F30-E73 HydrophobicContact CZ-CB 3.66Å; F30-M75 HydrophobicContact CB-CE 3.35Å; F30-M75 HydrophobicContact CD1-CE 4.12Å; F30-M75 HydrophobicContact CD2-CB 3.93Å; F30-M75 HydrophobicContact CD2-CE 3.88Å; F30-M75 HydrophobicContact CD2-CG 4.34Å; F30-M75 HydrophobicContact CE2-CB 4.04Å; F30-M75 HydrophobicContact CG-CE 3.53Å; F30-I80 HydrophobicContact CE1-CB 4.03Å; F30-I80 HydrophobicContact CE1-CG1 4.13Å; F30-I80 HydrophobicContact CE1-CG2 4.19Å; F30-I80 HydrophobicContact CE2-CG1 4.04Å; F30-I80 HydrophobicContact CZ-CB 3.75Å; F30-I80 HydrophobicContact CZ-CG1 3.7Å; F30-I80 HydrophobicContact CZ-CG2 4.42Å
31F94.9Very high91.8Very high2 Ų260.4 Ų60.41%0.00930%0.298CS..THydrogen-bonded Turntrans-85.844.9173.6-60.3-75000112.2V15 I27 R28 D33 C34 L56 A67 H70 V82V15-F31 HydrophobicContact CG1-CE2 3.9Å; V15-F31 HydrophobicContact CG1-CZ 3.55Å; I27-F31 HydrophobicContact CG2-CD2 3.68Å; I27-F31 HydrophobicContact CG2-CE2 3.94Å; I27-F31 WeakPolarHBondContact O-CD2 3.41Å; I27-F31 PolarHBondContact O-N 3.32Å; R28-F31 CarbonylContact O-C 3.55Å; F31-D33 PolarHBondContact O-N 2.84Å; F31-C34 HydrophobicContact CB-CB 4.21Å; F31-C34 PolarHBondContact O-N 3.03Å; F31-L56 HydrophobicContact CD2-CD1 3.71Å; F31-L56 HydrophobicContact CE2-CD1 3.45Å; F31-L56 VanDerWaalsContact CE2-CD1 3.45Å; F31-L56 HydrophobicContact CG-CD1 4.41Å; F31-L56 HydrophobicContact CZ-CD1 3.96Å; F31-A67 HydrophobicContact CD1-CB 3.94Å; F31-A67 HydrophobicContact CE1-CB 4Å; F31-H70 HydrophobicContact CD1-CB 4.38Å; F31-H70 AromaticContact CD1-CD2 3.94Å; F31-H70 HydrophobicContact CE1-CB 3.97Å; F31-V82 HydrophobicContact CE1-CG2 4.17Å; F31-V82 HydrophobicContact CZ-CG2 4.05Å
32H92.9Very high92.3Very high137 Ų13760.2 Ų60.263%0.63429%0.291SS*.THydrogen-bonded Turntrans-59.9-26.9-175.165.9-65.5000114.3R28 K29 F30 H70R28-H32 PolarHBondContact O-N 3.33Å; K29-H32 WeakPolarHBondContact O-CB 3.33Å; F30-H32 PolarHBondContact O-N 3.33Å; F30-H32 VanDerWaalsContact O-N 3.09Å; F30-H32 PolarHBondContact O-ND1 3.01Å; H32-H70 AromaticContact CE1-CE1 3.99Å
33D93.2Very high92.5Very high43 Ų4359.7 Ų59.723%0.2329%0.287CS..THydrogen-bonded Turntrans-81.1-18.6178.969.9-23.7000112.2F31 T35 R66 H70F31-D33 PolarHBondContact O-N 2.84Å; D33-T35 PolarHBondContact O-N 2.86Å; D33-R66 PolarHBondContact O-NH1 2.62Å; D33-R66 PolarHBondContact O-NH2 2.95Å; D33-R66 WeakPolarHBondContact OD2-CB 3.32Å; D33-H70 VanDerWaalsContact CG-NE2 3.33Å; D33-H70 IonicContact OD1-CD2 3.42Å; D33-H70 IonicContact OD1-NE2 2.88Å; D33-H70 PolarHBondContact OD1-NE2 3.14Å; D33-H70 IonicContact OD2-NE2 3.48Å; D33-H70 PolarHBondContact OD2-NE2 3.19Å
34C92.1Very high92.4Very high9 Ų957 Ų576%0.06127%0.274CS..  trans-90.797.5-178.7-58.90000111.3F31 F58 D63F31-C34 HydrophobicContact CB-CB 4.21Å; F31-C34 PolarHBondContact O-N 3.03Å; C34-F58 HydrophobicContact CB-CD1 4.32Å; C34-F58 HydrophobicContact CB-CE1 3.57Å; C34-F58 HydrophobicContact CB-CZ 4.34Å; C34-D63 HydrophobicContact CB-CB 4.25Å; C34-D63 PolarHBondContact SG-O 2.93Å
35T90.3Very high92Very high118 Ų11854.9 Ų54.972%0.72427%0.268SS*.THydrogen-bonded Turntrans-83.4-10.5-17454.30000114.4D33 D63D33-T35 PolarHBondContact O-N 2.86Å; T35-D63 PolarHBondContact N-OD2 3.1Å; T35-D63 VanDerWaalsContact N-OD2 3.08Å
36S89.8Confident91.2Very high13 Ų1358.4 Ų58.49%0.09128%0.282CS..THydrogen-bonded Turntrans-104.719.7-175.975.20000114.9E38 F58 K59 K60 D63S36-E38 PolarHBondContact O-N 3.07Å; S36-E38 VanDerWaalsContact O-N 3.1Å; S36-F58 CarbonylContact O-C 3.57Å; S36-F58 WeakPolarHBondContact O-CA 3.15Å; S36-K59 PolarHBondContact O-N 2.83Å; S36-K60 PolarHBondContact OG-N 2.95Å; S36-D63 WeakPolarHBondContact CA-OD2 3.34Å; S36-D63 WeakPolarHBondContact CB-OD2 3.44Å; S36-D63 PolarHBondContact N-OD2 3.27Å; S36-D63 VanDerWaalsContact OG-CB 3.32Å; S36-D63 WeakPolarHBondContact OG-CB 3.41Å; S36-D63 PolarHBondContact OG-OD2 2.9Å
37L92.7Very high90.1Very high13 Ų1361.6 Ų61.67%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-67103.3173.8-177.957.8000110.6I27 R28 I40 L56 F58I27-L37 HydrophobicContact CG2-CD2 4.49Å; R28-L37 HydrophobicContact CG-CD2 4.08Å; R28-L37 PolarHBondContact NH1-O 3.17Å; L37-I40 HydrophobicContact CD1-CG1 4.21Å; L37-I40 HydrophobicContact CD2-CD1 3.81Å; L37-I40 HydrophobicContact CD2-CG1 4.1Å; L37-I40 HydrophobicContact CG-CD1 4.43Å; L37-I40 HydrophobicContact CG-CG1 4.22Å; L37-L56 HydrophobicContact CD1-CB 3.71Å; L37-L56 HydrophobicContact CD1-CD2 4.31Å; L37-L56 HydrophobicContact CD1-CG 4.4Å; L37-F58 HydrophobicContact CB-CD1 4.08Å; L37-F58 HydrophobicContact CB-CE1 3.78Å; L37-F58 HydrophobicContact CD1-CD1 4.24Å; L37-F58 HydrophobicContact CD1-CE1 3.81Å; L37-F58 HydrophobicContact CD1-CE2 4.41Å; L37-F58 HydrophobicContact CD1-CZ 3.93Å; L37-F58 HydrophobicContact CG-CE1 4.3Å
38E91.4Very high89Confident105 Ų10561.7 Ų61.749%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-84.1-54.6-176.4-68-166.6152.100111.4S36 E57 K59S36-E38 PolarHBondContact O-N 3.07Å; S36-E38 VanDerWaalsContact O-N 3.1Å; E38-E57 PolarHBondContact N-O 3Å; E38-K59 HydrophobicContact CG-CB 4.06Å; E38-K59 VanDerWaalsContact OE1-CD 3.27Å; E38-K59 WeakPolarHBondContact OE1-CD 3.42Å; E38-K59 VanDerWaalsContact OE1-CG 3.31Å; E38-K59 WeakPolarHBondContact OE1-CG 2.92Å; E38-K59 IonicContact OE1-NZ 3.6Å
39D92.1Very high88.1Confident77 Ų7760 Ų6041%0.41229%0.29SS..EExtended strand (participates in β ladder)trans-134.8152.7-175.9-153.6-7000112.8H41 E57D39-H41 VanDerWaalsContact CG-CE1 3.42Å; D39-H41 IonicContact OD1-CE1 3.82Å; D39-H41 IonicContact OD2-CE1 3.49Å; D39-H41 PolarHBondContact OD2-CE1 3.28Å; D39-H41 IonicContact OD2-ND1 3.94Å; D39-H41 IonicContact OD2-NE2 3.14Å; D39-H41 PolarHBondContact OD2-NE2 3.36Å; D39-E57 HydrophobicContact CB-CB 4.29Å; D39-E57 PolarHBondContact N-O 3.26Å; D39-E57 PolarHBondContact O-N 3.49Å
40I94.5Very high87.7Confident13 Ų1355.1 Ų55.17%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-129.9110.7-179.4-55.3-174.4000109.3E24 I27 R28 L37 F42 A54 L56E24-I40 HydrophobicContact CB-CD1 4.32Å; E24-I40 HydrophobicContact CG-CD1 3.81Å; I27-I40 HydrophobicContact CB-CD1 4.02Å; I27-I40 HydrophobicContact CD1-CG2 3.82Å; I27-I40 HydrophobicContact CG2-CD1 3.85Å; R28-I40 HydrophobicContact CG-CD1 4.23Å; L37-I40 HydrophobicContact CD1-CG1 4.21Å; L37-I40 HydrophobicContact CD2-CD1 3.81Å; L37-I40 HydrophobicContact CD2-CG1 4.1Å; L37-I40 HydrophobicContact CG-CD1 4.43Å; L37-I40 HydrophobicContact CG-CG1 4.22Å; I40-F42 HydrophobicContact CG2-CD2 4.06Å; I40-F42 HydrophobicContact CG2-CE2 3.7Å; I40-F42 HydrophobicContact CG2-CZ 4.12Å; I40-A54 HydrophobicContact CG2-CB 4.47Å; I40-L56 HydrophobicContact CB-CD2 4.23Å; I40-L56 HydrophobicContact CD1-CD2 4.37Å; I40-L56 HydrophobicContact CG1-CD2 3.94Å; I40-L56 HydrophobicContact CG2-CD2 3.76Å
41H92.7Very high87.4Confident41 Ų4156.2 Ų56.219%0.1928%0.283CS..EExtended strand (participates in β ladder)trans-102.596.4179-53.1-72.2000111.4D39 A54 Y55 E57 M90 L94D39-H41 VanDerWaalsContact CG-CE1 3.42Å; D39-H41 IonicContact OD1-CE1 3.82Å; D39-H41 IonicContact OD2-CE1 3.49Å; D39-H41 PolarHBondContact OD2-CE1 3.28Å; D39-H41 IonicContact OD2-ND1 3.94Å; D39-H41 IonicContact OD2-NE2 3.14Å; D39-H41 PolarHBondContact OD2-NE2 3.36Å; H41-A54 CarbonylContact O-C 3.57Å; H41-A54 VanDerWaalsContact O-CA 3.25Å; H41-A54 WeakPolarHBondContact O-CA 3.45Å; H41-Y55 PolarHBondContact N-O 2.83Å; H41-Y55 PolarHBondContact O-N 3.23Å; H41-E57 IonicContact CD2-OE1 3.75Å; H41-E57 IonicContact NE2-OE1 2.72Å; H41-E57 PolarHBondContact NE2-OE1 3.49Å; H41-E57 VanDerWaalsContact NE2-OE1 3.14Å; H41-M90 VanDerWaalsContact CD2-SD 3.58Å; H41-L94 HydrophobicContact CB-CD1 3.71Å; H41-L94 HydrophobicContact CB-CD2 3.74Å; H41-L94 HydrophobicContact CB-CG 4.32Å
42F92.6Very high87.2Confident46 Ų4656.4 Ų56.420%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-66.5139.5169.2-70.3-84.4000111.3L18 E24 I27 I40 Y44 A54L18-F42 HydrophobicContact CD1-CE1 4.24Å; E24-F42 HydrophobicContact CB-CE2 4.46Å; I27-F42 HydrophobicContact CD1-CE1 3.52Å; I27-F42 HydrophobicContact CD1-CE2 4.29Å; I27-F42 HydrophobicContact CD1-CZ 3.36Å; I27-F42 HydrophobicContact CG1-CZ 4.35Å; I40-F42 HydrophobicContact CG2-CD2 4.06Å; I40-F42 HydrophobicContact CG2-CE2 3.7Å; I40-F42 HydrophobicContact CG2-CZ 4.12Å; F42-Y44 HydrophobicContact CB-CE2 3.77Å; F42-Y44 WeakPolarHBondContact O-CE2 3.25Å; F42-A54 HydrophobicContact CD1-CB 4.08Å; F42-A54 HydrophobicContact CE1-CB 4.46Å; F42-A54 HydrophobicContact CG-CB 4.5Å
43T91Very high87.2Confident6 Ų652.2 Ų52.24%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-103.8147.317364.50000110.8S51 E53 Y55 V93 L94T43-S51 WeakPolarHBondContact O-CB 3.37Å; T43-S51 PolarHBondContact O-N 3.04Å; T43-S51 PolarHBondContact O-OG 3.48Å; T43-S51 PolarHBondContact OG1-OG 3.28Å; T43-E53 PolarHBondContact N-O 3.24Å; T43-E53 WeakPolarHBondContact OG1-CB 3.24Å; T43-E53 PolarHBondContact OG1-O 3.13Å; T43-Y55 HydrophobicContact CG2-CD2 3.88Å; T43-Y55 HydrophobicContact CG2-CE2 3.76Å; T43-V93 HydrophobicContact CG2-CG1 3.65Å; T43-L94 HydrophobicContact CG2-CD2 4.15Å
44Y86.6Confident87.3Confident60 Ų6050.1 Ų50.124%0.23526%0.256CS..EExtended strand (participates in β ladder)trans-129.3149-175.8-56.4-94.5000110F42 G48 R49 P50 S97 G98 P100F42-Y44 HydrophobicContact CB-CE2 3.77Å; F42-Y44 WeakPolarHBondContact O-CE2 3.25Å; Y44-G48 WeakPolarHBondContact CD1-O 3.25Å; Y44-R49 CarbonylContact C-O 3.58Å; Y44-R49 WeakPolarHBondContact CA-O 3.27Å; Y44-P50 HydrophobicContact CD1-CB 4.48Å; Y44-P50 HydrophobicContact CE1-CB 4.46Å; Y44-S97 PolarHBondContact N-OG 3.29Å; Y44-S97 PolarHBondContact O-OG 3.5Å; Y44-G98 WeakPolarHBondContact CB-O 3.44Å; Y44-G98 PolarHBondContact O-N 2.92Å; Y44-P100 HydrophobicContact CD1-CB 4.38Å; Y44-P100 HydrophobicContact CE1-CB 3.93Å; Y44-P100 HydrophobicContact CE2-CB 4.21Å; Y44-P100 HydrophobicContact CE2-CG 4.16Å
45S80.9Confident87.5Confident38 Ų3849.8 Ų49.827%0.26625%0.253SS..  trans-59.7168.5169.783.50000110.6E47 G48 R49 G98S45-E47 WeakPolarHBondContact CB-OE2 3.49Å; S45-E47 PolarHBondContact O-N 3.27Å; S45-E47 VanDerWaalsContact O-N 3.08Å; S45-E47 PolarHBondContact OG-N 3.47Å; S45-E47 PolarHBondContact OG-OE2 3.3Å; S45-G48 WeakPolarHBondContact O-CA 3.48Å; S45-G48 PolarHBondContact O-N 3.31Å; S45-R49 PolarHBondContact N-O 2.95Å; S45-R49 PolarHBondContact OG-N 3.38Å; S45-G98 WeakPolarHBondContact O-CA 3.5Å; S45-G98 PolarHBondContact O-N 3.37Å
46K76.7Confident87.7Confident186 Ų18644.2 Ų44.281%0.80922%0.219SC*.THydrogen-bonded Turntrans-58.5-25.9177.1-66.2-178.2179.61800112.6G48K46-G48 VanDerWaalsContact C-N 3.28Å
47E68.7Low87.9Confident121 Ų12145.3 Ų45.357%0.56522%0.223SC*.THydrogen-bonded Turntrans-85.62.8176.8-51.472.1-153.700112.9S45 C101S45-E47 WeakPolarHBondContact CB-OE2 3.49Å; S45-E47 PolarHBondContact O-N 3.27Å; S45-E47 VanDerWaalsContact O-N 3.08Å; S45-E47 PolarHBondContact OG-N 3.47Å; S45-E47 PolarHBondContact OG-OE2 3.3Å; E47-C101 PolarHBondContact O-SG 2.88Å
48G73.1Confident88Confident3 Ų345 Ų453%0.03122%0.221CC..SBendtrans7815.9178.600000115.1Y44 S45 K46 K99Y44-G48 WeakPolarHBondContact CD1-O 3.25Å; S45-G48 WeakPolarHBondContact O-CA 3.48Å; S45-G48 PolarHBondContact O-N 3.31Å; K46-G48 VanDerWaalsContact C-N 3.28Å; G48-K99 WeakPolarHBondContact CA-O 3.33Å
49R76.2Confident88Confident60 Ų6046.5 Ų46.523%0.22623%0.226CC..  trans-82.5139.1177.5-167179.6-178.886.27.8110.3Y44 S45 S51 F184 E190Y44-R49 CarbonylContact C-O 3.58Å; Y44-R49 WeakPolarHBondContact CA-O 3.27Å; S45-R49 PolarHBondContact N-O 2.95Å; S45-R49 PolarHBondContact OG-N 3.38Å; R49-S51 PolarHBondContact O-N 3.38Å; R49-F184 VanDerWaalsContact NH2-CD2 3.34Å; R49-E190 IonicContact NH1-OE1 2.64Å
50P84.5Confident88Confident43 Ų4348.3 Ų48.328%0.27923%0.23SC..EExtended strand (participates in β ladder)trans-56126.3175.722.8-34.6000110.4W20 Y44 G52W20-P50 HydrophobicContact CB-CG 4.11Å; W20-P50 WeakPolarHBondContact O-CG 3.31Å; Y44-P50 HydrophobicContact CD1-CB 4.48Å; Y44-P50 HydrophobicContact CE1-CB 4.46Å; P50-G52 VanDerWaalsContact C-N 3.29Å
51S87.8Confident87.8Confident46 Ų4650.8 Ų50.832%0.32225%0.246SC..EExtended strand (participates in β ladder)trans-74.2-23.7-178.165.90000112.3T43 R49 E53T43-S51 WeakPolarHBondContact O-CB 3.37Å; T43-S51 PolarHBondContact O-N 3.04Å; T43-S51 PolarHBondContact O-OG 3.48Å; T43-S51 PolarHBondContact OG1-OG 3.28Å; R49-S51 PolarHBondContact O-N 3.38Å; S51-E53 WeakPolarHBondContact OG-CB 3.32Å; S51-E53 PolarHBondContact OG-N 3.25Å; S51-E53 PolarHBondContact OG-O 3.29Å
52G90.7Very high87.7Confident7 Ų754 Ų547%0.07226%0.264CS..EExtended strand (participates in β ladder)trans84.715.6-165.200000113.2R16 G17 L18 P50R16-G52 CarbonylContact C-O 3.53Å; G17-G52 PolarHBondContact N-O 3.43Å; L18-G52 PolarHBondContact N-O 3.14Å; L18-G52 WeakPolarHBondContact O-CA 3.44Å; P50-G52 VanDerWaalsContact C-N 3.29Å
53E94.2Very high87.8Confident48 Ų4852 Ų5222%0.22426%0.255CS..EExtended strand (participates in β ladder)trans-125140.8176.1-62176.5-179.100110.5V15 R16 T43 S51V15-E53 CarbonylContact O-C 3.43Å; V15-E53 VanDerWaalsContact O-CA 3.24Å; V15-E53 WeakPolarHBondContact O-CA 3.45Å; R16-E53 HydrophobicContact CB-CG 4.02Å; R16-E53 WeakPolarHBondContact CD-OE1 3.38Å; R16-E53 HydrophobicContact CG-CG 3.8Å; R16-E53 IonicContact CZ-OE1 3Å; R16-E53 IonicContact NE-OE1 3.55Å; R16-E53 PolarHBondContact NE-OE1 3Å; T43-E53 PolarHBondContact N-O 3.24Å; T43-E53 WeakPolarHBondContact OG1-CB 3.24Å; T43-E53 PolarHBondContact OG1-O 3.13Å; S51-E53 WeakPolarHBondContact OG-CB 3.32Å; S51-E53 PolarHBondContact OG-N 3.25Å; S51-E53 PolarHBondContact OG-O 3.29Å
54A95.4Very high87.8Confident0 Ų052 Ų520%026%0.256CS..EExtended strand (participates in β ladder)trans-141.6157.9173.800000111V15 L18 I27 I40 H41 F42V15-A54 HydrophobicContact CG2-CB 3.74Å; V15-A54 VanDerWaalsContact CG2-O 3.32Å; V15-A54 WeakPolarHBondContact CG2-O 3.37Å; V15-A54 PolarHBondContact N-O 3.17Å; V15-A54 PolarHBondContact O-N 3.06Å; L18-A54 HydrophobicContact CD1-CB 3.65Å; I27-A54 HydrophobicContact CD1-CB 4.36Å; I40-A54 HydrophobicContact CG2-CB 4.47Å; H41-A54 CarbonylContact O-C 3.57Å; H41-A54 VanDerWaalsContact O-CA 3.25Å; H41-A54 WeakPolarHBondContact O-CA 3.45Å; F42-A54 HydrophobicContact CD1-CB 4.08Å; F42-A54 HydrophobicContact CE1-CB 4.46Å; F42-A54 HydrophobicContact CG-CB 4.5Å
55Y95.4Very high88.1Confident2 Ų253 Ų531%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-110.7136.2170.2-66.1-94.7000109.4I12 V13 R14 H41 T43 A85 M90 V93I12-Y55 HydrophobicContact CG2-CD1 4.12Å; V13-Y55 CarbonylContact O-C 3.58Å; V13-Y55 WeakPolarHBondContact O-CA 3.33Å; R14-Y55 HydrophobicContact CB-CD1 3.87Å; R14-Y55 HydrophobicContact CB-CE1 3.67Å; R14-Y55 WeakPolarHBondContact CD-OH 3.39Å; R14-Y55 HydrophobicContact CG-CD1 4.15Å; R14-Y55 HydrophobicContact CG-CE1 3.69Å; H41-Y55 PolarHBondContact N-O 2.83Å; H41-Y55 PolarHBondContact O-N 3.23Å; T43-Y55 HydrophobicContact CG2-CD2 3.88Å; T43-Y55 HydrophobicContact CG2-CE2 3.76Å; Y55-A85 HydrophobicContact CD1-CB 3.89Å; Y55-A85 HydrophobicContact CE1-CB 3.78Å; Y55-M90 HydrophobicContact CD1-CB 3.67Å; Y55-M90 HydrophobicContact CD1-CG 3.88Å; Y55-M90 HydrophobicContact CD2-CB 4.41Å; Y55-M90 HydrophobicContact CD2-CG 4Å; Y55-M90 HydrophobicContact CE1-CB 4Å; Y55-M90 HydrophobicContact CG-CB 3.9Å; Y55-M90 HydrophobicContact CG-CG 3.57Å; Y55-M90 HydrophobicContact CG-SD 4.26Å; Y55-V93 HydrophobicContact CE2-CB 4.09Å; Y55-V93 HydrophobicContact CE2-CG1 3.99Å
56L95.7Very high88.8Confident0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans-115.2122.9-177-53.2-174.7000108.4I12 V13 V15 I27 F31 L37 I40 F58I12-L56 WeakPolarHBondContact CA-O 3.36Å; V13-L56 HydrophobicContact CB-CB 4.37Å; V13-L56 PolarHBondContact N-O 2.87Å; V13-L56 PolarHBondContact O-N 2.83Å; V15-L56 HydrophobicContact CG1-CD1 3.68Å; V15-L56 HydrophobicContact CG1-CG 4.18Å; V15-L56 HydrophobicContact CG2-CD1 4.39Å; V15-L56 HydrophobicContact CG2-CD2 4.43Å; V15-L56 HydrophobicContact CG2-CG 4.27Å; I27-L56 HydrophobicContact CG2-CD1 4.12Å; I27-L56 HydrophobicContact CG2-CD2 3.77Å; F31-L56 HydrophobicContact CD2-CD1 3.71Å; F31-L56 HydrophobicContact CE2-CD1 3.45Å; F31-L56 VanDerWaalsContact CE2-CD1 3.45Å; F31-L56 HydrophobicContact CG-CD1 4.41Å; F31-L56 HydrophobicContact CZ-CD1 3.96Å; L37-L56 HydrophobicContact CD1-CB 3.71Å; L37-L56 HydrophobicContact CD1-CD2 4.31Å; L37-L56 HydrophobicContact CD1-CG 4.4Å; I40-L56 HydrophobicContact CB-CD2 4.23Å; I40-L56 HydrophobicContact CD1-CD2 4.37Å; I40-L56 HydrophobicContact CG1-CD2 3.94Å; I40-L56 HydrophobicContact CG2-CD2 3.76Å; L56-F58 HydrophobicContact CB-CD2 4.4Å; L56-F58 HydrophobicContact CB-CE2 3.68Å; L56-F58 HydrophobicContact CB-CZ 4.1Å; L56-F58 HydrophobicContact CD1-CE2 4.33Å; L56-F58 HydrophobicContact CD1-CZ 4.15Å
57E93.9Very high89.6Confident37 Ų3746.4 Ų46.417%0.17324%0.236CC..EExtended strand (participates in β ladder)trans-95.6122.5173.8-62.7-153.3-158.300110.1I12 E38 D39 H41 R87 M90I12-E57 HydrophobicContact CG1-CG 4.26Å; E38-E57 PolarHBondContact N-O 3Å; D39-E57 HydrophobicContact CB-CB 4.29Å; D39-E57 PolarHBondContact N-O 3.26Å; D39-E57 PolarHBondContact O-N 3.49Å; H41-E57 IonicContact CD2-OE1 3.75Å; H41-E57 IonicContact NE2-OE1 2.72Å; H41-E57 PolarHBondContact NE2-OE1 3.49Å; H41-E57 VanDerWaalsContact NE2-OE1 3.14Å; E57-R87 IonicContact OE2-NH2 3.33Å; E57-R87 PolarHBondContact OE2-NH2 3.44Å; E57-M90 HydrophobicContact CG-CE 4.44Å; E57-M90 HydrophobicContact CG-SD 4.17Å; E57-M90 WeakPolarHBondContact OE1-CE 3.34Å
58F94.1Very high90.8Very high6 Ų643.5 Ų43.53%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-107.6145.7176.3-65.7-83.4000111.4N11 V13 C34 S36 L37 L56 D63 V64 A67N11-F58 HydrophobicContact CB-CB 4.2Å; N11-F58 WeakPolarHBondContact CB-O 3.34Å; N11-F58 PolarHBondContact ND2-O 2.64Å; N11-F58 PolarHBondContact O-N 3.33Å; V13-F58 HydrophobicContact CB-CD2 4.46Å; V13-F58 HydrophobicContact CB-CE2 3.9Å; V13-F58 HydrophobicContact CG2-CD2 3.97Å; V13-F58 HydrophobicContact CG2-CE2 3.66Å; C34-F58 HydrophobicContact CB-CD1 4.32Å; C34-F58 HydrophobicContact CB-CE1 3.57Å; C34-F58 HydrophobicContact CB-CZ 4.34Å; S36-F58 CarbonylContact O-C 3.57Å; S36-F58 WeakPolarHBondContact O-CA 3.15Å; L37-F58 HydrophobicContact CB-CD1 4.08Å; L37-F58 HydrophobicContact CB-CE1 3.78Å; L37-F58 HydrophobicContact CD1-CD1 4.24Å; L37-F58 HydrophobicContact CD1-CE1 3.81Å; L37-F58 HydrophobicContact CD1-CE2 4.41Å; L37-F58 HydrophobicContact CD1-CZ 3.93Å; L37-F58 HydrophobicContact CG-CE1 4.3Å; L56-F58 HydrophobicContact CB-CD2 4.4Å; L56-F58 HydrophobicContact CB-CE2 3.68Å; L56-F58 HydrophobicContact CB-CZ 4.1Å; L56-F58 HydrophobicContact CD1-CE2 4.33Å; L56-F58 HydrophobicContact CD1-CZ 4.15Å; F58-D63 HydrophobicContact CB-CB 4.37Å; F58-D63 HydrophobicContact CD1-CB 3.73Å; F58-D63 HydrophobicContact CE1-CB 4.34Å; F58-D63 HydrophobicContact CG-CB 4.21Å; F58-V64 HydrophobicContact CB-CG2 4.03Å; F58-V64 HydrophobicContact CD2-CG2 4.06Å; F58-V64 HydrophobicContact CG-CG2 4.32Å; F58-A67 HydrophobicContact CE2-CB 3.92Å; F58-A67 HydrophobicContact CZ-CB 3.74Å
59K91.5Very high91.9Very high137 Ų13747.1 Ų47.160%0.59625%0.249SC*.SBendtrans-74.2-34.7172.5-159.9179.9-168.8136.40112.4N11 S36 E38N11-K59 PolarHBondContact ND2-O 2.83Å; S36-K59 PolarHBondContact O-N 2.83Å; E38-K59 HydrophobicContact CG-CB 4.06Å; E38-K59 VanDerWaalsContact OE1-CD 3.27Å; E38-K59 WeakPolarHBondContact OE1-CD 3.42Å; E38-K59 VanDerWaalsContact OE1-CG 3.31Å; E38-K59 WeakPolarHBondContact OE1-CG 2.92Å; E38-K59 IonicContact OE1-NZ 3.6Å
60K90.7Very high92.7Very high115 Ų11544.7 Ų44.750%0.524%0.24SC..  trans-112.8137.6-173.2-64.2-177.2178-178.60111.3S36 D62 D63S36-K60 PolarHBondContact OG-N 2.95Å; K60-D62 PolarHBondContact O-N 2.94Å; K60-D63 PolarHBondContact O-N 2.8Å
61T90.6Very high93.2Very high65 Ų6545.7 Ų45.740%0.39924%0.241SC..Hα-helixtrans-60.5-32.3171.142.20000112.8N11 D63 V64 S65N11-T61 WeakPolarHBondContact OD1-CG2 3.43Å; T61-D63 VanDerWaalsContact C-N 3.27Å; T61-D63 PolarHBondContact O-N 2.84Å; T61-V64 WeakPolarHBondContact O-CB 3.47Å; T61-V64 PolarHBondContact O-N 2.86Å; T61-S65 PolarHBondContact O-N 3.08Å
62D91.7Very high93.4Very high109 Ų10951.6 Ų51.658%0.58326%0.256SS*.Hα-helixtrans-63.8-35.8179.7-65.24.6000111.4K60 V64 S65 R66K60-D62 PolarHBondContact O-N 2.94Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-S65 WeakPolarHBondContact O-CB 3.34Å; D62-S65 PolarHBondContact O-N 3.42Å; D62-R66 WeakPolarHBondContact O-CG 3.32Å; D62-R66 PolarHBondContact O-N 2.77Å; D62-R66 VanDerWaalsContact O-N 3.13Å
63D93.5Very high93.6Very high2 Ų255.4 Ų55.41%0.01127%0.272CS..Hα-helixtrans-73-30.3178.9-69.628.8000111.8C34 T35 S36 F58 K60 T61 S65 R66 A67C34-D63 HydrophobicContact CB-CB 4.25Å; C34-D63 PolarHBondContact SG-O 2.93Å; T35-D63 PolarHBondContact N-OD2 3.1Å; T35-D63 VanDerWaalsContact N-OD2 3.08Å; S36-D63 WeakPolarHBondContact CA-OD2 3.34Å; S36-D63 WeakPolarHBondContact CB-OD2 3.44Å; S36-D63 PolarHBondContact N-OD2 3.27Å; S36-D63 VanDerWaalsContact OG-CB 3.32Å; S36-D63 WeakPolarHBondContact OG-CB 3.41Å; S36-D63 PolarHBondContact OG-OD2 2.9Å; F58-D63 HydrophobicContact CB-CB 4.37Å; F58-D63 HydrophobicContact CD1-CB 3.73Å; F58-D63 HydrophobicContact CE1-CB 4.34Å; F58-D63 HydrophobicContact CG-CB 4.21Å; K60-D63 PolarHBondContact O-N 2.8Å; T61-D63 VanDerWaalsContact C-N 3.27Å; T61-D63 PolarHBondContact O-N 2.84Å; D63-S65 VanDerWaalsContact C-N 3.29Å; D63-S65 PolarHBondContact O-N 2.64Å; D63-R66 PolarHBondContact O-N 3.3Å; D63-R66 IonicContact OD1-CZ 3.47Å; D63-R66 IonicContact OD1-NE 3.21Å; D63-R66 IonicContact OD1-NH2 4Å; D63-R66 PolarHBondContact OD1-NH2 2.87Å; D63-R66 IonicContact OD2-NH2 3.54Å; D63-R66 PolarHBondContact OD2-NH2 2.83Å; D63-A67 WeakPolarHBondContact O-CB 3.48Å; D63-A67 PolarHBondContact O-N 3.46Å
64V92.7Very high93.4Very high8 Ų859.1 Ų59.15%0.04829%0.289CS..Hα-helixtrans-61.4-43.1172177.10000110.1N11 V13 F58 T61 D62 R66 A67 L68N11-V64 HydrophobicContact CB-CG2 3.87Å; V13-V64 HydrophobicContact CG2-CB 4.34Å; V13-V64 HydrophobicContact CG2-CG1 3.74Å; V13-V64 HydrophobicContact CG2-CG2 4.44Å; F58-V64 HydrophobicContact CB-CG2 4.03Å; F58-V64 HydrophobicContact CD2-CG2 4.06Å; F58-V64 HydrophobicContact CG-CG2 4.32Å; T61-V64 WeakPolarHBondContact O-CB 3.47Å; T61-V64 PolarHBondContact O-N 2.86Å; D62-V64 VanDerWaalsContact C-N 3.35Å; V64-R66 VanDerWaalsContact C-N 3.33Å; V64-R66 PolarHBondContact O-N 3.16Å; V64-A67 PolarHBondContact O-N 2.58Å; V64-L68 HydrophobicContact CG1-CD1 4.2Å; V64-L68 WeakPolarHBondContact O-CB 3.44Å; V64-L68 VanDerWaalsContact O-CG 3.25Å; V64-L68 WeakPolarHBondContact O-CG 3.2Å; V64-L68 PolarHBondContact O-N 2.76Å
65S92.6Very high93.1Very high81 Ų8160.1 Ų60.157%0.56629%0.294SS*.Hα-helixtrans-64.8-38.9177.6-58.90000111.9T61 D62 D63 L68 S69T61-S65 PolarHBondContact O-N 3.08Å; D62-S65 WeakPolarHBondContact O-CB 3.34Å; D62-S65 PolarHBondContact O-N 3.42Å; D63-S65 VanDerWaalsContact C-N 3.29Å; D63-S65 PolarHBondContact O-N 2.64Å; S65-L68 PolarHBondContact O-N 2.8Å; S65-S69 PolarHBondContact O-N 3.17Å
66R94.5Very high92.6Very high85 Ų8563 Ų6332%0.32132%0.324SS..Hα-helixtrans-66.1-46.7174-70.8-169-74.4168.66.1112.1D33 D62 D63 V64 L68 S69 H70D33-R66 PolarHBondContact O-NH1 2.62Å; D33-R66 PolarHBondContact O-NH2 2.95Å; D33-R66 WeakPolarHBondContact OD2-CB 3.32Å; D62-R66 WeakPolarHBondContact O-CG 3.32Å; D62-R66 PolarHBondContact O-N 2.77Å; D62-R66 VanDerWaalsContact O-N 3.13Å; D63-R66 PolarHBondContact O-N 3.3Å; D63-R66 IonicContact OD1-CZ 3.47Å; D63-R66 IonicContact OD1-NE 3.21Å; D63-R66 IonicContact OD1-NH2 4Å; D63-R66 PolarHBondContact OD1-NH2 2.87Å; D63-R66 IonicContact OD2-NH2 3.54Å; D63-R66 PolarHBondContact OD2-NH2 2.83Å; V64-R66 VanDerWaalsContact C-N 3.33Å; V64-R66 PolarHBondContact O-N 3.16Å; R66-L68 VanDerWaalsContact C-N 3.29Å; R66-L68 PolarHBondContact O-N 2.99Å; R66-S69 WeakPolarHBondContact O-CB 3.5Å; R66-S69 PolarHBondContact O-N 3.3Å; R66-S69 PolarHBondContact O-OG 2.78Å; R66-H70 PolarHBondContact O-CD2 3.46Å
67A94.6Very high92Very high0 Ų071.1 Ų71.10%036%0.362CS..Hα-helixtrans-57.4-41.9175.200000111.9V13 F31 F58 D63 V64 S69 H70 V82V13-A67 HydrophobicContact CG2-CB 4.23Å; F31-A67 HydrophobicContact CD1-CB 3.94Å; F31-A67 HydrophobicContact CE1-CB 4Å; F58-A67 HydrophobicContact CE2-CB 3.92Å; F58-A67 HydrophobicContact CZ-CB 3.74Å; D63-A67 WeakPolarHBondContact O-CB 3.48Å; D63-A67 PolarHBondContact O-N 3.46Å; V64-A67 PolarHBondContact O-N 2.58Å; A67-S69 PolarHBondContact O-N 3.23Å; A67-H70 WeakPolarHBondContact O-CB 3.42Å; A67-H70 PolarHBondContact O-N 2.65Å; A67-H70 VanDerWaalsContact O-N 3.16Å; A67-V82 WeakPolarHBondContact O-CG1 3.4Å
68L93.7Very high91.8Very high60 Ų6073.9 Ų73.931%0.31437%0.371SS..Hα-helixtrans-63.2-27.1175.8-72.3168.4000113.2V64 S65 R66 H70 H71 V82V64-L68 HydrophobicContact CG1-CD1 4.2Å; V64-L68 WeakPolarHBondContact O-CB 3.44Å; V64-L68 VanDerWaalsContact O-CG 3.25Å; V64-L68 WeakPolarHBondContact O-CG 3.2Å; V64-L68 PolarHBondContact O-N 2.76Å; S65-L68 PolarHBondContact O-N 2.8Å; R66-L68 VanDerWaalsContact C-N 3.29Å; R66-L68 PolarHBondContact O-N 2.99Å; L68-H70 VanDerWaalsContact C-N 3.26Å; L68-H70 PolarHBondContact O-N 2.97Å; L68-H71 WeakPolarHBondContact O-CB 3.37Å; L68-H71 PolarHBondContact O-N 3.32Å; L68-V82 HydrophobicContact CD2-CG1 4.21Å
69S94.9Very high91.7Very high79 Ų7979.9 Ų79.955%0.55239%0.394SS*.Hα-helixtrans-69-24176.579.20000113.2S65 R66 A67 H71S65-S69 PolarHBondContact O-N 3.17Å; R66-S69 WeakPolarHBondContact O-CB 3.5Å; R66-S69 PolarHBondContact O-N 3.3Å; R66-S69 PolarHBondContact O-OG 2.78Å; A67-S69 PolarHBondContact O-N 3.23Å; S69-H71 PolarHBondContact O-N 3.49Å
70H94Very high91.9Very high9 Ų973.4 Ų73.44%0.04237%0.366CS..THydrogen-bonded Turntrans-76.19.2173.8-70.5-75.2000114.1F30 F31 H32 D33 R66 A67 L68 R72 E73F30-H70 HydrophobicContact CE1-CB 3.86Å; F30-H70 HydrophobicContact CZ-CB 4.35Å; F31-H70 HydrophobicContact CD1-CB 4.38Å; F31-H70 AromaticContact CD1-CD2 3.94Å; F31-H70 HydrophobicContact CE1-CB 3.97Å; H32-H70 AromaticContact CE1-CE1 3.99Å; D33-H70 VanDerWaalsContact CG-NE2 3.33Å; D33-H70 IonicContact OD1-CD2 3.42Å; D33-H70 IonicContact OD1-NE2 2.88Å; D33-H70 PolarHBondContact OD1-NE2 3.14Å; D33-H70 IonicContact OD2-NE2 3.48Å; D33-H70 PolarHBondContact OD2-NE2 3.19Å; R66-H70 PolarHBondContact O-CD2 3.46Å; A67-H70 WeakPolarHBondContact O-CB 3.42Å; A67-H70 PolarHBondContact O-N 2.65Å; A67-H70 VanDerWaalsContact O-N 3.16Å; L68-H70 VanDerWaalsContact C-N 3.26Å; L68-H70 PolarHBondContact O-N 2.97Å; H70-R72 PolarHBondContact O-N 3.16Å; H70-E73 IonicContact CE1-OE2 3.63Å; H70-E73 IonicContact CG-OE2 2.76Å; H70-E73 VanDerWaalsContact ND1-CD 3.3Å; H70-E73 IonicContact ND1-OE1 2.75Å; H70-E73 IonicContact ND1-OE2 2.7Å; H70-E73 PolarHBondContact ND1-OE2 3.35Å; H70-E73 WeakPolarHBondContact O-CB 3.48Å; H70-E73 PolarHBondContact O-N 3.17Å
71H93.9Very high92.2Very high64 Ų6469.9 Ų69.930%0.29635%0.351SS..THydrogen-bonded Turntrans-61.8126177.7-178.486.3000111.6L68 S69 E73 V82L68-H71 WeakPolarHBondContact O-CB 3.37Å; L68-H71 PolarHBondContact O-N 3.32Å; S69-H71 PolarHBondContact O-N 3.49Å; H71-E73 VanDerWaalsContact C-N 3.3Å; H71-V82 HydrophobicContact CB-CB 4.31Å; H71-V82 PolarHBondContact ND1-N 2.78Å; H71-V82 VanDerWaalsContact ND1-N 3.17Å; H71-V82 PolarHBondContact ND1-O 3.22Å
72R93Very high92.4Very high170 Ų17067 Ų6764%0.64233%0.334SS*.THydrogen-bonded Turntrans71.212-176-62.4166-177.6-171.3-3.3115.7H70 I80H70-R72 PolarHBondContact O-N 3.16Å; R72-I80 WeakPolarHBondContact CA-O 3.48Å; R72-I80 PolarHBondContact N-O 2.65Å
73E94.5Very high92.6Very high87 Ų8765 Ų6541%0.40732%0.32SS..  trans-73.2155.1167-67.2-169.5-179.500111.5F30 H70 H71 Y79 I80F30-E73 HydrophobicContact CE2-CB 3.94Å; F30-E73 HydrophobicContact CZ-CB 3.66Å; H70-E73 IonicContact CE1-OE2 3.63Å; H70-E73 IonicContact CG-OE2 2.76Å; H70-E73 VanDerWaalsContact ND1-CD 3.3Å; H70-E73 IonicContact ND1-OE1 2.75Å; H70-E73 IonicContact ND1-OE2 2.7Å; H70-E73 PolarHBondContact ND1-OE2 3.35Å; H70-E73 WeakPolarHBondContact O-CB 3.48Å; H70-E73 PolarHBondContact O-N 3.17Å; H71-E73 VanDerWaalsContact C-N 3.3Å; E73-Y79 CarbonylContact O-C 3.52Å; E73-Y79 WeakPolarHBondContact O-CA 3.16Å; E73-I80 PolarHBondContact O-N 2.94Å
74H91.4Very high92.5Very high126 Ų12670.3 Ų70.358%0.58335%0.345SS*.EExtended strand (participates in β ladder)trans-94.5127.3-173.4-7170.5000111.5R78H74-R78 CarbonylContact C-O 3.6Å; H74-R78 WeakPolarHBondContact CA-O 3.21Å
75M88.6Confident92.5Very high20 Ų2070 Ų7010%0.09934%0.343CS..EExtended strand (participates in β ladder)trans-104.496.9164.5-172-173.9-76.700107.7L18 P19 I27 F30 Q77 R78 I80L18-M75 HydrophobicContact CD2-CE 3.82Å; L18-M75 HydrophobicContact CD2-SD 3.92Å; P19-M75 HydrophobicContact CG-CG 4.32Å; P19-M75 HydrophobicContact CG-SD 4.27Å; I27-M75 HydrophobicContact CG1-CE 4.46Å; F30-M75 HydrophobicContact CB-CE 3.35Å; F30-M75 HydrophobicContact CD1-CE 4.12Å; F30-M75 HydrophobicContact CD2-CB 3.93Å; F30-M75 HydrophobicContact CD2-CE 3.88Å; F30-M75 HydrophobicContact CD2-CG 4.34Å; F30-M75 HydrophobicContact CE2-CB 4.04Å; F30-M75 HydrophobicContact CG-CE 3.53Å; M75-Q77 PolarHBondContact O-N 2.82Å; M75-R78 PolarHBondContact N-O 3.31Å; M75-R78 PolarHBondContact O-N 3.08Å; M75-I80 HydrophobicContact CB-CD1 3.84Å; M75-I80 HydrophobicContact CB-CG1 3.7Å; M75-I80 HydrophobicContact CE-CG1 4.48Å; M75-I80 HydrophobicContact SD-CD1 4.47Å
76G84.5Confident92.4Very high63 Ų6372.5 Ų72.565%0.64934%0.343SS*.THydrogen-bonded Turntrans65-120.1-170.500000111.3
77Q82.3Confident92.1Very high171 Ų17173 Ų7380%0.79935%0.345SS*.THydrogen-bonded Turntrans-93-0.5-177.8-63.1-61.7-50.700114M75 M173M75-Q77 PolarHBondContact O-N 2.82Å; Q77-M173 HydrophobicContact CG-CE 4.41Å
78R90.3Very high91.8Very high95 Ų9578.4 Ų78.436%0.35837%0.374SS..EExtended strand (participates in β ladder)trans-115.9136.7-177.4-57.1-173.975.5176.25.5109.9G17 L18 H74 M75G17-R78 WeakPolarHBondContact O-CB 3.25Å; G17-R78 WeakPolarHBondContact O-CD 3.42Å; G17-R78 PolarHBondContact O-NE 3.08Å; L18-R78 PolarHBondContact O-NH1 3.37Å; H74-R78 CarbonylContact C-O 3.6Å; H74-R78 WeakPolarHBondContact CA-O 3.21Å; M75-R78 PolarHBondContact N-O 3.31Å; M75-R78 PolarHBondContact O-N 3.08Å
79Y91.6Very high91.6Very high132 Ų13279 Ų7952%0.51838%0.376SS..EExtended strand (participates in β ladder)trans-79.2142.8166.761-93.1000109.8E73 E81E73-Y79 CarbonylContact O-C 3.52Å; E73-Y79 WeakPolarHBondContact O-CA 3.16Å; Y79-E81 HydrophobicContact CD2-CG 4.19Å; Y79-E81 HydrophobicContact CE2-CG 4.02Å
80I96.1Very high91.4Very high0 Ų075.6 Ų75.60%035%0.351CS..PPolyproline II helixtrans-99.7126.1179.8-55.1-52000109.2V15 R16 G17 L18 F30 R72 E73 M75 V82V15-I80 HydrophobicContact CB-CG2 4.19Å; R16-I80 CarbonylContact O-C 3.53Å; R16-I80 WeakPolarHBondContact O-CA 3.48Å; G17-I80 WeakPolarHBondContact O-CD1 3.05Å; L18-I80 HydrophobicContact CD2-CD1 3.95Å; F30-I80 HydrophobicContact CE1-CB 4.03Å; F30-I80 HydrophobicContact CE1-CG1 4.13Å; F30-I80 HydrophobicContact CE1-CG2 4.19Å; F30-I80 HydrophobicContact CE2-CG1 4.04Å; F30-I80 HydrophobicContact CZ-CB 3.75Å; F30-I80 HydrophobicContact CZ-CG1 3.7Å; F30-I80 HydrophobicContact CZ-CG2 4.42Å; R72-I80 WeakPolarHBondContact CA-O 3.48Å; R72-I80 PolarHBondContact N-O 2.65Å; E73-I80 PolarHBondContact O-N 2.94Å; M75-I80 HydrophobicContact CB-CD1 3.84Å; M75-I80 HydrophobicContact CB-CG1 3.7Å; M75-I80 HydrophobicContact CE-CG1 4.48Å; M75-I80 HydrophobicContact SD-CD1 4.47Å; I80-V82 HydrophobicContact CG2-CG2 4.05Å
81E96.3Very high91.2Very high41 Ų4179.2 Ų79.219%0.19237%0.368CS..EExtended strand (participates in β ladder)trans-92.3121.6170.6-53.6-176.3104.800108.8V15 R16 Y79 F83V15-E81 CarbonylContact C-O 3.52Å; V15-E81 WeakPolarHBondContact CA-O 3.12Å; R16-E81 HydrophobicContact CB-CB 4.3Å; R16-E81 PolarHBondContact N-O 2.86Å; R16-E81 IonicContact NH1-OE2 3.94Å; R16-E81 PolarHBondContact NH1-OE2 3.28Å; R16-E81 PolarHBondContact O-N 3.5Å; Y79-E81 HydrophobicContact CD2-CG 4.19Å; Y79-E81 HydrophobicContact CE2-CG 4.02Å; E81-F83 HydrophobicContact CB-CD2 4.34Å; E81-F83 HydrophobicContact CB-CE2 3.43Å; E81-F83 VanDerWaalsContact CB-CE2 3.43Å; E81-F83 HydrophobicContact CB-CZ 3.74Å; E81-F83 HydrophobicContact CG-CE2 4.48Å; E81-F83 HydrophobicContact CG-CZ 4.49Å
82V96.5Very high90.9Very high5 Ų582.5 Ų82.53%0.0338%0.379CS..EExtended strand (participates in β ladder)trans-109.3131178.8-167.90000109.5V13 V15 F31 A67 L68 H71 I80V13-V82 HydrophobicContact CG1-CG1 3.15Å; V15-V82 HydrophobicContact CG1-CG1 4.21Å; V15-V82 HydrophobicContact CG1-CG2 4.31Å; F31-V82 HydrophobicContact CE1-CG2 4.17Å; F31-V82 HydrophobicContact CZ-CG2 4.05Å; A67-V82 WeakPolarHBondContact O-CG1 3.4Å; L68-V82 HydrophobicContact CD2-CG1 4.21Å; H71-V82 HydrophobicContact CB-CB 4.31Å; H71-V82 PolarHBondContact ND1-N 2.78Å; H71-V82 VanDerWaalsContact ND1-N 3.17Å; H71-V82 PolarHBondContact ND1-O 3.22Å; I80-V82 HydrophobicContact CG2-CG2 4.05Å
83F94.7Very high90.7Very high68 Ų6876.3 Ų76.330%0.29836%0.36SS..EExtended strand (participates in β ladder)trans-134.6150-178.6-56.4-82000111.2V13 R14 R16 E81V13-F83 CarbonylContact C-O 3.57Å; V13-F83 WeakPolarHBondContact CA-O 3.47Å; V13-F83 WeakPolarHBondContact CG1-O 3.35Å; R14-F83 PolarHBondContact N-O 3.3Å; R14-F83 PolarHBondContact O-N 2.88Å; R16-F83 HydrophobicContact CB-CE2 4.49Å; E81-F83 HydrophobicContact CB-CD2 4.34Å; E81-F83 HydrophobicContact CB-CE2 3.43Å; E81-F83 VanDerWaalsContact CB-CE2 3.43Å; E81-F83 HydrophobicContact CB-CZ 3.74Å; E81-F83 HydrophobicContact CG-CE2 4.48Å; E81-F83 HydrophobicContact CG-CZ 4.49Å
84H92.7Very high90.3Very high113 Ų11374.8 Ų74.852%0.52335%0.354SS..EExtended strand (participates in β ladder)trans-65.7139.2164.3-163-56000109.1E10E10-H84 PolarHBondContact O-CE1 3.17Å
85A92Very high90Very high1 Ų176.1 Ų76.11%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-128.3158.1174.700000111.2I12 R14 Y55I12-A85 HydrophobicContact CG2-CB 4.07Å; I12-A85 PolarHBondContact O-N 2.95Å; R14-A85 HydrophobicContact CB-CB 3.78Å; Y55-A85 HydrophobicContact CD1-CB 3.89Å; Y55-A85 HydrophobicContact CE1-CB 3.78Å
86K89.2Confident89.7Confident133 Ų13381.9 Ų81.958%0.57838%0.381SS*.  trans-96151.1172.9-66.3-171.9-179.9-175.10110.9E10 N88 E89 M90E10-K86 WeakPolarHBondContact OE2-CA 3.39Å; E10-K86 WeakPolarHBondContact OE2-CB 3.33Å; E10-K86 WeakPolarHBondContact OE2-CG 3.39Å; K86-N88 VanDerWaalsContact C-N 3.29Å; K86-N88 PolarHBondContact O-N 2.93Å; K86-E89 HydrophobicContact CB-CB 4.26Å; K86-E89 WeakPolarHBondContact O-CB 3.34Å; K86-E89 PolarHBondContact O-N 3.03Å; K86-E89 VanDerWaalsContact O-N 3.08Å; K86-M90 PolarHBondContact O-N 3.45Å
87R89.5Confident89.4Confident95 Ų9580 Ų8036%0.35836%0.358SS..Hα-helixtrans-59.4-43.9175.9-179.2166.7-81167.5-6.3110.9E10 I12 E57 E89 M90 E91E10-R87 HydrophobicContact CG-CB 4.09Å; E10-R87 VanDerWaalsContact OE1-CB 3.25Å; E10-R87 WeakPolarHBondContact OE1-CB 3.34Å; E10-R87 PolarHBondContact OE1-N 3.05Å; E10-R87 PolarHBondContact OE2-N 3.01Å; I12-R87 VanDerWaalsContact CD1-CA 3.45Å; I12-R87 HydrophobicContact CD1-CB 3.56Å; I12-R87 HydrophobicContact CD1-CG 4.02Å; E57-R87 IonicContact OE2-NH2 3.33Å; E57-R87 PolarHBondContact OE2-NH2 3.44Å; R87-E89 VanDerWaalsContact C-N 3.27Å; R87-E89 PolarHBondContact O-N 2.94Å; R87-M90 HydrophobicContact CG-CE 4.41Å; R87-M90 WeakPolarHBondContact O-CB 3.41Å; R87-M90 PolarHBondContact O-N 2.78Å; R87-E91 HydrophobicContact CG-CG 4.24Å; R87-E91 WeakPolarHBondContact CG-OE1 3.2Å; R87-E91 WeakPolarHBondContact O-CG 3.17Å; R87-E91 PolarHBondContact O-N 2.94Å
88N88.3Confident88.8Confident115 Ų11572.6 Ų72.662%0.61533%0.327SS*.Hα-helixtrans-60.1-35.2176.4-67.1-12.3000113K86 Y92K86-N88 VanDerWaalsContact C-N 3.29Å; K86-N88 PolarHBondContact O-N 2.93Å; N88-Y92 WeakPolarHBondContact O-CB 3.24Å; N88-Y92 PolarHBondContact O-N 3.19Å
89E88.6Confident87.7Confident73 Ų7376.3 Ų76.334%0.34135%0.346SS..Hα-helixtrans-68.5-47.8176.4-178.8-175.4171.500110.7K86 R87 Y92 V93K86-E89 HydrophobicContact CB-CB 4.26Å; K86-E89 WeakPolarHBondContact O-CB 3.34Å; K86-E89 PolarHBondContact O-N 3.03Å; K86-E89 VanDerWaalsContact O-N 3.08Å; R87-E89 VanDerWaalsContact C-N 3.27Å; R87-E89 PolarHBondContact O-N 2.94Å; E89-Y92 PolarHBondContact O-N 2.82Å; E89-V93 WeakPolarHBondContact O-CG2 3.36Å; E89-V93 PolarHBondContact O-N 3.09Å
90M91.5Very high86.4Confident6 Ų673.6 Ų73.63%0.0334%0.344CS..Hα-helixtrans-56.8-52.7175.7177.2-174.580.900111I12 H41 Y55 E57 K86 R87 Y92 V93 L94I12-M90 HydrophobicContact CD1-CE 3.92Å; I12-M90 HydrophobicContact CD1-SD 4.06Å; I12-M90 HydrophobicContact CG2-CB 4.41Å; I12-M90 HydrophobicContact CG2-SD 3.87Å; H41-M90 VanDerWaalsContact CD2-SD 3.58Å; Y55-M90 HydrophobicContact CD1-CB 3.67Å; Y55-M90 HydrophobicContact CD1-CG 3.88Å; Y55-M90 HydrophobicContact CD2-CB 4.41Å; Y55-M90 HydrophobicContact CD2-CG 4Å; Y55-M90 HydrophobicContact CE1-CB 4Å; Y55-M90 HydrophobicContact CG-CB 3.9Å; Y55-M90 HydrophobicContact CG-CG 3.57Å; Y55-M90 HydrophobicContact CG-SD 4.26Å; E57-M90 HydrophobicContact CG-CE 4.44Å; E57-M90 HydrophobicContact CG-SD 4.17Å; E57-M90 WeakPolarHBondContact OE1-CE 3.34Å; K86-M90 PolarHBondContact O-N 3.45Å; R87-M90 HydrophobicContact CG-CE 4.41Å; R87-M90 WeakPolarHBondContact O-CB 3.41Å; R87-M90 PolarHBondContact O-N 2.78Å; M90-Y92 PolarHBondContact O-N 2.99Å; M90-V93 PolarHBondContact O-N 3.05Å; M90-L94 HydrophobicContact CG-CD1 3.7Å; M90-L94 HydrophobicContact CG-CG 4.24Å; M90-L94 VanDerWaalsContact O-CG 3.29Å; M90-L94 WeakPolarHBondContact O-CG 3.28Å; M90-L94 PolarHBondContact O-N 2.82Å; M90-L94 HydrophobicContact SD-CD1 4.43Å
91E89.3Confident84.3Confident86 Ų8675.7 Ų75.740%0.40236%0.359SS..Hα-helixtrans-59.8-44.5179.3-71.8179.1-172.700112.1R87 V93 L94 Q95R87-E91 HydrophobicContact CG-CG 4.24Å; R87-E91 WeakPolarHBondContact CG-OE1 3.2Å; R87-E91 WeakPolarHBondContact O-CG 3.17Å; R87-E91 PolarHBondContact O-N 2.94Å; E91-V93 VanDerWaalsContact C-N 3.27Å; E91-V93 PolarHBondContact O-N 2.78Å; E91-L94 PolarHBondContact O-N 3.42Å; E91-Q95 WeakPolarHBondContact O-CB 3.44Å; E91-Q95 VanDerWaalsContact O-CG 3.24Å; E91-Q95 WeakPolarHBondContact O-CG 3.37Å; E91-Q95 PolarHBondContact O-N 2.82Å
92Y88.2Confident82.1Confident133 Ų13379.3 Ų79.352%0.52239%0.386SS..Hα-helixtrans-58.2-39.5176.9176-80.8000112.2N88 E89 M90 R96N88-Y92 WeakPolarHBondContact O-CB 3.24Å; N88-Y92 PolarHBondContact O-N 3.19Å; E89-Y92 PolarHBondContact O-N 2.82Å; M90-Y92 PolarHBondContact O-N 2.99Å; Y92-R96 VanDerWaalsContact CZ-NH2 3.29Å; Y92-R96 PolarHBondContact O-NH1 3.33Å; Y92-R96 VanDerWaalsContact O-NH1 3.08Å; Y92-R96 VanDerWaalsContact OH-CZ 3.29Å; Y92-R96 PolarHBondContact OH-NH2 3.47Å
93V88.6Confident79.8Confident40 Ų4080.4 Ų80.424%0.24240%0.398CS..Hα-helixtrans-74.7-45.7177.8173.90000110.8T43 Y55 E89 M90 E91 Q95 R96 S97T43-V93 HydrophobicContact CG2-CG1 3.65Å; Y55-V93 HydrophobicContact CE2-CB 4.09Å; Y55-V93 HydrophobicContact CE2-CG1 3.99Å; E89-V93 WeakPolarHBondContact O-CG2 3.36Å; E89-V93 PolarHBondContact O-N 3.09Å; M90-V93 PolarHBondContact O-N 3.05Å; E91-V93 VanDerWaalsContact C-N 3.27Å; E91-V93 PolarHBondContact O-N 2.78Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 3.2Å; V93-R96 CarbonylContact O-C 3.57Å; V93-R96 PolarHBondContact O-N 2.72Å; V93-R96 VanDerWaalsContact O-N 3.1Å; V93-S97 VanDerWaalsContact O-CB 3.26Å; V93-S97 WeakPolarHBondContact O-CB 3.38Å; V93-S97 PolarHBondContact O-N 3.29Å
94L87.1Confident77.8Confident55 Ų5578.4 Ų78.429%0.28839%0.39SS..Hα-helixtrans-63.3-33.4-179.9-67175.8000112.9H41 T43 M90 E91 R96H41-L94 HydrophobicContact CB-CD1 3.71Å; H41-L94 HydrophobicContact CB-CD2 3.74Å; H41-L94 HydrophobicContact CB-CG 4.32Å; T43-L94 HydrophobicContact CG2-CD2 4.15Å; M90-L94 HydrophobicContact CG-CD1 3.7Å; M90-L94 HydrophobicContact CG-CG 4.24Å; M90-L94 VanDerWaalsContact O-CG 3.29Å; M90-L94 WeakPolarHBondContact O-CG 3.28Å; M90-L94 PolarHBondContact O-N 2.82Å; M90-L94 HydrophobicContact SD-CD1 4.43Å; E91-L94 PolarHBondContact O-N 3.42Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.47Å
95Q84.9Confident76Confident153 Ų15374.9 Ų74.972%0.71538%0.381SS*.Hα-helixtrans-68.2-27.8175-73174.517.100113.7E91 V93E91-Q95 WeakPolarHBondContact O-CB 3.44Å; E91-Q95 VanDerWaalsContact O-CG 3.24Å; E91-Q95 WeakPolarHBondContact O-CG 3.37Å; E91-Q95 PolarHBondContact O-N 2.82Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 3.2Å
96R82.4Confident74.6Confident142 Ų14278.2 Ų78.254%0.53641%0.409SS..Hα-helixtrans-103.4-17.4179.4-71.5-170.7-170.576.3-5.7114.3Y92 V93 L94Y92-R96 VanDerWaalsContact CZ-NH2 3.29Å; Y92-R96 PolarHBondContact O-NH1 3.33Å; Y92-R96 VanDerWaalsContact O-NH1 3.08Å; Y92-R96 VanDerWaalsContact OH-CZ 3.29Å; Y92-R96 PolarHBondContact OH-NH2 3.47Å; V93-R96 CarbonylContact O-C 3.57Å; V93-R96 PolarHBondContact O-N 2.72Å; V93-R96 VanDerWaalsContact O-N 3.1Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.47Å
97S77Confident74Confident23 Ų2373.6 Ų73.616%0.16139%0.39CS..SBendtrans-54.2142.7170.8174.70000108.4Y44 V93Y44-S97 PolarHBondContact N-OG 3.29Å; Y44-S97 PolarHBondContact O-OG 3.5Å; V93-S97 VanDerWaalsContact O-CB 3.26Å; V93-S97 WeakPolarHBondContact O-CB 3.38Å; V93-S97 PolarHBondContact O-N 3.29Å
98G69.1Low73.8Confident15 Ų1570.4 Ų70.416%0.15538%0.38CS..PPolyproline II helixtrans-57.6153.8164.600000109.4Y44 S45Y44-G98 WeakPolarHBondContact CB-O 3.44Å; Y44-G98 PolarHBondContact O-N 2.92Å; S45-G98 WeakPolarHBondContact O-CA 3.5Å; S45-G98 PolarHBondContact O-N 3.37Å
99K68.1Low73.7Confident174 Ų17465 Ų6576%0.75735%0.351SS*.PPolyproline II helixtrans-75.8147.3159.7-67.4-175.9179.5-176.90107.3G48 C101G48-K99 WeakPolarHBondContact CA-O 3.33Å; K99-C101 PolarHBondContact O-N 3.06Å
100P64.5Low73.7Confident74 Ų7461.5 Ų61.548%0.48134%0.335SS..  trans-53.5115.9165.822.8-30.6000106.6Y44 P102Y44-P100 HydrophobicContact CD1-CB 4.38Å; Y44-P100 HydrophobicContact CE1-CB 3.93Å; Y44-P100 HydrophobicContact CE2-CB 4.21Å; Y44-P100 HydrophobicContact CE2-CG 4.16Å; P100-P102 WeakPolarHBondContact O-CD 3.21Å
101C51.2Low73.6Confident45 Ų4562.4 Ų62.430%0.30434%0.338SS..  trans-56.3116.2-172.8-71.80000109E47 K99 G103 N104E47-C101 PolarHBondContact O-SG 2.88Å; K99-C101 PolarHBondContact O-N 3.06Å; C101-G103 PolarHBondContact O-N 3.4Å; C101-G103 VanDerWaalsContact O-N 3.14Å; C101-N104 HydrophobicContact CB-CB 4.49Å; C101-N104 PolarHBondContact O-N 3.33Å; C101-N104 VanDerWaalsContact O-N 3.09Å
102P51Low73.6Confident116 Ų11659 Ų5975%0.75332%0.322SS*.THydrogen-bonded Turntrans-61.8-21.9174.223.1-31.4000111.5P100 N104 A105P100-P102 WeakPolarHBondContact O-CD 3.21Å; P102-N104 VanDerWaalsContact C-N 3.32Å; P102-N104 PolarHBondContact O-N 3.26Å; P102-A105 PolarHBondContact O-N 2.7Å
103G47.4Very low73.6Confident28 Ų2857.8 Ų57.829%0.28932%0.317SS..Hα-helixtrans-65.9-25.6174.600000114.9C101 A105 A106C101-G103 PolarHBondContact O-N 3.4Å; C101-G103 VanDerWaalsContact O-N 3.14Å; G103-A105 PolarHBondContact O-N 2.91Å; G103-A105 VanDerWaalsContact O-N 3.17Å; G103-A106 PolarHBondContact O-N 2.99Å
104N54Low73.6Confident26 Ų2656.4 Ų56.414%0.13931%0.311CS..Hα-helixtrans-67.3-19.2179.8-80.914.8000113.3C101 P102 R185 S186 S187C101-N104 HydrophobicContact CB-CB 4.49Å; C101-N104 PolarHBondContact O-N 3.33Å; C101-N104 VanDerWaalsContact O-N 3.09Å; P102-N104 VanDerWaalsContact C-N 3.32Å; P102-N104 PolarHBondContact O-N 3.26Å; N104-R185 HydrophobicContact CB-CB 4.26Å; N104-R185 PolarHBondContact ND2-O 3.34Å; N104-S186 WeakPolarHBondContact CA-O 3.34Å; N104-S187 WeakPolarHBondContact OD1-CB 3.43Å
105A55.1Low73.7Confident40 Ų4053.9 Ų53.933%0.33130%0.297SS..Hα-helixtrans-96.4-18.5177.700000113.1P102 G103P102-A105 PolarHBondContact O-N 2.7Å; G103-A105 PolarHBondContact O-N 2.91Å; G103-A105 VanDerWaalsContact O-N 3.17Å
106A62.1Low73.8Confident71 Ų7146.9 Ų46.959%0.58727%0.265SS*.Hα-helixtrans-84.8-34.3-17400000112.4G103 N108G103-A106 PolarHBondContact O-N 2.99Å; A106-N108 VanDerWaalsContact C-N 3.32Å; A106-N108 PolarHBondContact O-N 3.36Å
107D76.1Confident74.1Confident36 Ų3646.7 Ų46.719%0.19327%0.266CS..SBendtrans-84.5-8.4-169.9-62.2-27000114.2V109 S187 I188D107-V109 HydrophobicContact CB-CB 4.48Å; D107-V109 HydrophobicContact CB-CG2 3.85Å; D107-V109 WeakPolarHBondContact O-CG2 3.49Å; D107-V109 PolarHBondContact O-N 2.99Å; D107-S187 WeakPolarHBondContact OD2-CB 3.24Å; D107-I188 HydrophobicContact CB-CB 4.16Å; D107-I188 WeakPolarHBondContact OD2-CG2 3.37Å; D107-I188 PolarHBondContact OD2-N 3.25Å
108N85.9Confident74.5Confident28 Ų2850.9 Ų50.915%0.1529%0.286CS..  trans54.637.6-174-58.7-33.6000112.2A106 R158 F159 K160 K162 T165A106-N108 VanDerWaalsContact C-N 3.32Å; A106-N108 PolarHBondContact O-N 3.36Å; N108-R158 CarbonylContact O-C 3.56Å; N108-R158 WeakPolarHBondContact O-CA 3.18Å; N108-F159 HydrophobicContact CB-CB 4.35Å; N108-F159 WeakPolarHBondContact CB-O 3.34Å; N108-F159 PolarHBondContact O-N 2.74Å; N108-K160 PolarHBondContact ND2-O 3.19Å; N108-K162 WeakPolarHBondContact OD1-CA 3.47Å; N108-K162 PolarHBondContact OD1-N 3.13Å; N108-T165 VanDerWaalsContact CA-OG1 3.28Å; N108-T165 WeakPolarHBondContact CA-OG1 3.48Å; N108-T165 VanDerWaalsContact CB-OG1 3.24Å; N108-T165 WeakPolarHBondContact CB-OG1 3.23Å
109V86.6Confident75.3Confident0 Ų051 Ų510%028%0.284CS..EExtended strand (participates in β ladder)trans-108.1138.4-177.9-177.40000110.5D107 F156 A157 R158 S186 I188 M191D107-V109 HydrophobicContact CB-CB 4.48Å; D107-V109 HydrophobicContact CB-CG2 3.85Å; D107-V109 WeakPolarHBondContact O-CG2 3.49Å; D107-V109 PolarHBondContact O-N 2.99Å; V109-F156 HydrophobicContact CG1-CB 4.44Å; V109-F156 HydrophobicContact CG1-CD1 4.24Å; V109-A157 WeakPolarHBondContact CA-O 3.37Å; V109-R158 HydrophobicContact CG2-CB 4.09Å; V109-R158 HydrophobicContact CG2-CG 3.9Å; V109-S186 CarbonylContact O-C 3.52Å; V109-S186 PolarHBondContact O-N 3.15Å; V109-I188 HydrophobicContact CG2-CB 4.47Å; V109-M191 HydrophobicContact CG1-CB 4.28Å; V109-M191 HydrophobicContact CG1-SD 4.48Å
110V88.4Confident76.1Confident0 Ų045.9 Ų45.90%027%0.268CS..EExtended strand (participates in β ladder)trans-128.5131.7179.7-155.80000108.8F156 A157 F159 T165 A168 L169 V183 F184V110-F156 CarbonylContact O-C 3.55Å; V110-F156 VanDerWaalsContact O-CA 3.3Å; V110-F156 WeakPolarHBondContact O-CA 3.23Å; V110-A157 PolarHBondContact N-O 2.99Å; V110-A157 PolarHBondContact O-N 3.35Å; V110-F159 HydrophobicContact CB-CE2 4.08Å; V110-F159 HydrophobicContact CG2-CD2 3.63Å; V110-F159 HydrophobicContact CG2-CE2 3.4Å; V110-T165 HydrophobicContact CG2-CG2 3.61Å; V110-A168 HydrophobicContact CG2-CB 4.32Å; V110-L169 HydrophobicContact CG1-CD2 3.87Å; V110-V183 HydrophobicContact CB-CG1 4.37Å; V110-V183 HydrophobicContact CG1-CG1 3.14Å; V110-F184 CarbonylContact C-O 3.59Å; V110-F184 WeakPolarHBondContact CA-O 3.35Å; V110-F184 WeakPolarHBondContact CG1-O 3.16Å
111R87.9Confident77.1Confident25 Ų2547.2 Ų47.29%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-90.4128.9173.8178.1-179.8175.4121.55.1109.1E154 G155 F156 F184 E190R111-E154 IonicContact CZ-OE1 3.85Å; R111-E154 IonicContact CZ-OE2 3.58Å; R111-E154 IonicContact NH2-OE1 2.89Å; R111-E154 PolarHBondContact NH2-OE1 2.67Å; R111-E154 IonicContact NH2-OE2 3.77Å; R111-E154 PolarHBondContact NH2-OE2 2.74Å; R111-G155 CarbonylContact C-O 3.45Å; R111-G155 WeakPolarHBondContact CA-O 3.49Å; R111-F156 HydrophobicContact CB-CD1 3.9Å; R111-F156 HydrophobicContact CB-CE1 3.7Å; R111-F156 HydrophobicContact CB-CZ 4.42Å; R111-F156 HydrophobicContact CG-CD1 4.24Å; R111-F156 HydrophobicContact CG-CE1 3.75Å; R111-F156 HydrophobicContact CG-CZ 3.97Å; R111-F184 HydrophobicContact CB-CB 4.42Å; R111-F184 PolarHBondContact N-O 2.99Å; R111-F184 PolarHBondContact O-N 3.39Å; R111-E190 WeakPolarHBondContact CD-OE1 3.44Å; R111-E190 IonicContact CZ-OE1 2.74Å; R111-E190 IonicContact NE-OE1 2.7Å; R111-E190 IonicContact NH1-OE1 2.66Å; R111-E190 PolarHBondContact NH1-OE1 3.32Å
112L90.1Very high78.5Confident14 Ų1447.7 Ų47.77%0.07327%0.274CS..EExtended strand (participates in β ladder)trans-104.5129.2175.1-56174.9000108.4L115 L124 E154 G155 A157 I181 E182 V183L112-L115 HydrophobicContact CB-CD1 3.99Å; L112-L115 HydrophobicContact CB-CD2 4.21Å; L112-L115 HydrophobicContact CB-CG 4.17Å; L112-L115 HydrophobicContact CD1-CD2 4.46Å; L112-L124 HydrophobicContact CD1-CD1 3.68Å; L112-L124 HydrophobicContact CD1-CD2 3.53Å; L112-L124 HydrophobicContact CD1-CG 4.25Å; L112-E154 CarbonylContact O-C 3.59Å; L112-E154 WeakPolarHBondContact O-CA 3.19Å; L112-G155 PolarHBondContact N-O 2.7Å; L112-G155 PolarHBondContact O-N 2.66Å; L112-A157 HydrophobicContact CD1-CB 4.3Å; L112-I181 HydrophobicContact CD2-CD1 4.48Å; L112-E182 CarbonylContact C-O 3.6Å; L112-E182 WeakPolarHBondContact CA-O 3.41Å; L112-V183 HydrophobicContact CD2-CB 4.26Å; L112-V183 HydrophobicContact CD2-CG1 3.89Å; L112-V183 HydrophobicContact CD2-CG2 3.7Å
113R88.9Confident80.1Confident108 Ų10844.8 Ų44.841%0.40825%0.252SS..EExtended strand (participates in β ladder)trans-124.4152.4173.8-173.8179.8172.3103.1-7109.2G153 E154 I181 E182 F184R113-G153 CarbonylContact C-O 3.53Å; R113-E154 IonicContact CZ-OE1 2.74Å; R113-E154 IonicContact NH1-OE1 2.69Å; R113-E154 PolarHBondContact NH1-OE1 3.2Å; R113-I181 CarbonylContact O-C 3.53Å; R113-I181 WeakPolarHBondContact O-CA 3.23Å; R113-E182 HydrophobicContact CB-CB 4.32Å; R113-E182 PolarHBondContact N-O 2.98Å; R113-E182 PolarHBondContact O-N 3.46Å; R113-F184 HydrophobicContact CB-CE2 4.13Å
114G88.5Confident81.7Confident11 Ų1143.9 Ų43.911%0.11324%0.24CC..SBendtrans86.210.2178.800000113.8G153 R179G114-G153 PolarHBondContact N-O 3.47Å; G114-R179 VanDerWaalsContact O-CB 3.28Å; G114-R179 WeakPolarHBondContact O-CB 3.17Å; G114-R179 PolarHBondContact O-NE 3.46Å
115L89.3Confident82.9Confident2 Ų245.7 Ų45.71%0.0125%0.247CC..  trans-58.3137.8176.3-62.2172.9000110.6L112 C119 L124 F143 G153 I176 I181L112-L115 HydrophobicContact CB-CD1 3.99Å; L112-L115 HydrophobicContact CB-CD2 4.21Å; L112-L115 HydrophobicContact CB-CG 4.17Å; L112-L115 HydrophobicContact CD1-CD2 4.46Å; L115-C119 HydrophobicContact CB-CB 4.26Å; L115-L124 HydrophobicContact CD2-CD2 3.8Å; L115-F143 HydrophobicContact CD1-CD1 3.85Å; L115-F143 HydrophobicContact CD1-CE1 3.84Å; L115-G153 PolarHBondContact N-O 3.06Å; L115-G153 VanDerWaalsContact O-CA 3.29Å; L115-G153 WeakPolarHBondContact O-CA 3.45Å; L115-I176 HydrophobicContact CD2-CD1 3.93Å; L115-I181 HydrophobicContact CD2-CG2 3.81Å
116P87.2Confident84Confident6 Ų649.1 Ų49.14%0.03926%0.259CS..  trans-51.9145.3166.1-24.933.7000111.7D118 C119 I176 R179P116-D118 WeakPolarHBondContact CB-OD1 3.4Å; P116-D118 PolarHBondContact O-N 2.82Å; P116-C119 HydrophobicContact CB-CB 4.15Å; P116-C119 HydrophobicContact CG-CB 4.48Å; P116-C119 WeakPolarHBondContact O-CB 3.47Å; P116-C119 PolarHBondContact O-N 3.36Å; P116-I176 HydrophobicContact CG-CB 4.26Å; P116-I176 HydrophobicContact CG-CG2 4.03Å; P116-I176 WeakPolarHBondContact CG-O 3.23Å; P116-R179 HydrophobicContact CG-CB 4.25Å; P116-R179 HydrophobicContact CG-CG 4.41Å
117Y86.9Confident84.6Confident138 Ų13846.9 Ų46.954%0.54124%0.237SC..THydrogen-bonded Turntrans-69.2-20-178.3-58.2-49000112.8A151Y117-A151 HydrophobicContact CD1-CB 4.35Å; Y117-A151 VanDerWaalsContact CD1-O 3.23Å; Y117-A151 WeakPolarHBondContact CD1-O 3.35Å; Y117-A151 WeakPolarHBondContact O-CB 3.45Å
118D86Confident84.5Confident112 Ų11245.4 Ų45.460%0.59923%0.23SC*.THydrogen-bonded Turntrans-93.63.6172.559.5-24000113.2P116 T120P116-D118 WeakPolarHBondContact CB-OD1 3.4Å; P116-D118 PolarHBondContact O-N 2.82Å; D118-T120 PolarHBondContact O-N 3.29Å
119C85.8Confident83.8Confident16 Ų1649.4 Ų49.411%0.10825%0.251CS..  trans-62.5126.9-179.9-175.80000111.1L115 P116L115-C119 HydrophobicContact CB-CB 4.26Å; P116-C119 HydrophobicContact CB-CB 4.15Å; P116-C119 HydrophobicContact CG-CB 4.48Å; P116-C119 WeakPolarHBondContact O-CB 3.47Å; P116-C119 PolarHBondContact O-N 3.36Å
120T85.5Confident82.8Confident67 Ų6753.8 Ų53.841%0.41128%0.282SS..  trans-102164.9179.268.30000111.3D118 A122 D123 L124D118-T120 PolarHBondContact O-N 3.29Å; T120-A122 PolarHBondContact O-N 2.88Å; T120-A122 PolarHBondContact OG1-N 3.01Å; T120-D123 PolarHBondContact N-OD2 3.05Å; T120-D123 PolarHBondContact O-N 3.39Å; T120-D123 PolarHBondContact OG1-N 2.75Å; T120-D123 PolarHBondContact OG1-OD2 3.03Å; T120-L124 PolarHBondContact O-N 3.38Å
121K84.4Confident81.6Confident102 Ų10257.5 Ų57.544%0.44330%0.298SS..Hα-helixtrans-55.6-36.2171.4-65.5-170.3178-173.30111.1D123 L124 F125 I141 F143K121-D123 VanDerWaalsContact C-N 3.34Å; K121-D123 PolarHBondContact O-N 2.73Å; K121-L124 PolarHBondContact O-N 2.86Å; K121-F125 HydrophobicContact CB-CD2 4.44Å; K121-F125 HydrophobicContact CB-CE2 4.47Å; K121-F125 WeakPolarHBondContact O-CD2 3.45Å; K121-F125 PolarHBondContact O-N 2.97Å; K121-I141 WeakPolarHBondContact CE-O 3.31Å; K121-I141 HydrophobicContact CG-CG2 4.2Å; K121-F143 HydrophobicContact CB-CE2 4.48Å; K121-F143 HydrophobicContact CG-CE2 3.61Å; K121-F143 HydrophobicContact CG-CZ 4.3Å
122A81.9Confident80.1Confident56 Ų5661.4 Ų61.446%0.46333%0.329SS..Hα-helixtrans-62.5-39.1-179.600000112.2T120 L124 F125 L126T120-A122 PolarHBondContact O-N 2.88Å; T120-A122 PolarHBondContact OG1-N 3.01Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 2.76Å; A122-F125 WeakPolarHBondContact O-CB 3.12Å; A122-F125 PolarHBondContact O-N 3.42Å; A122-L126 WeakPolarHBondContact O-CG 3.35Å; A122-L126 PolarHBondContact O-N 3.39Å
123D84.7Confident78.7Confident55 Ų5563.1 Ų63.129%0.29435%0.35SS..Hα-helixtrans-64.1-40.1178.2-55.9-48.6000111.6T120 K121 L126 L127 I176T120-D123 PolarHBondContact N-OD2 3.05Å; T120-D123 PolarHBondContact O-N 3.39Å; T120-D123 PolarHBondContact OG1-N 2.75Å; T120-D123 PolarHBondContact OG1-OD2 3.03Å; K121-D123 VanDerWaalsContact C-N 3.34Å; K121-D123 PolarHBondContact O-N 2.73Å; D123-L126 PolarHBondContact O-N 3.35Å; D123-L127 PolarHBondContact O-N 2.89Å; D123-I176 HydrophobicContact CB-CG2 4.24Å
124L80.5Confident77.6Confident8 Ų858.3 Ų58.34%0.04233%0.332CS..Hα-helixtrans-67.8-37.5174.2-70.8-177.7000112.6L112 L115 T120 K121 A122 A128 I141 F143 I176L112-L124 HydrophobicContact CD1-CD1 3.68Å; L112-L124 HydrophobicContact CD1-CD2 3.53Å; L112-L124 HydrophobicContact CD1-CG 4.25Å; L115-L124 HydrophobicContact CD2-CD2 3.8Å; T120-L124 PolarHBondContact O-N 3.38Å; K121-L124 PolarHBondContact O-N 2.86Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 2.76Å; L124-A128 VanDerWaalsContact O-CB 3.25Å; L124-A128 WeakPolarHBondContact O-CB 3.48Å; L124-A128 PolarHBondContact O-N 2.88Å; L124-I141 HydrophobicContact CB-CD1 4.1Å; L124-I141 HydrophobicContact CD1-CG2 3.67Å; L124-F143 HydrophobicContact CD1-CE1 3.55Å; L124-F143 HydrophobicContact CD1-CZ 3.69Å; L124-F143 HydrophobicContact CG-CE1 4.39Å; L124-F143 HydrophobicContact CG-CZ 4.4Å; L124-I176 HydrophobicContact CD2-CD1 3.66Å
125F78.9Confident76.6Confident64 Ų6463.3 Ų63.328%0.28135%0.353SS..Hα-helixtrans-64.5-40.6172.1-86.1-71.6000112K121 A122 A128 N129 L136 I141K121-F125 HydrophobicContact CB-CD2 4.44Å; K121-F125 HydrophobicContact CB-CE2 4.47Å; K121-F125 WeakPolarHBondContact O-CD2 3.45Å; K121-F125 PolarHBondContact O-N 2.97Å; A122-F125 WeakPolarHBondContact O-CB 3.12Å; A122-F125 PolarHBondContact O-N 3.42Å; F125-A128 PolarHBondContact O-N 3.43Å; F125-N129 VanDerWaalsContact O-CB 3.24Å; F125-N129 WeakPolarHBondContact O-CB 3.4Å; F125-N129 PolarHBondContact O-N 2.6Å; F125-N129 PolarHBondContact O-ND2 2.88Å; F125-L136 HydrophobicContact CD1-CB 4.29Å; F125-L136 HydrophobicContact CD1-CD1 3.49Å; F125-L136 VanDerWaalsContact CD1-CD1 3.49Å; F125-L136 HydrophobicContact CE1-CB 3.66Å; F125-L136 HydrophobicContact CE1-CD1 3.68Å; F125-L136 HydrophobicContact CE1-CG 4.34Å; F125-L136 HydrophobicContact CG-CD1 4.1Å; F125-L136 HydrophobicContact CZ-CB 4.28Å; F125-L136 HydrophobicContact CZ-CD1 4.38Å; F125-I141 HydrophobicContact CD2-CD1 4.09Å; F125-I141 HydrophobicContact CE2-CD1 3.79Å; F125-I141 HydrophobicContact CZ-CD1 4.1Å
126L77.8Confident75.6Confident113 Ų11364 Ų6459%0.59236%0.356SS*.Hα-helixtrans-63.3-48.1176.7-74.3172.4000110.8A122 D123 A128 N129 S130A122-L126 WeakPolarHBondContact O-CG 3.35Å; A122-L126 PolarHBondContact O-N 3.39Å; D123-L126 PolarHBondContact O-N 3.35Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.21Å; L126-N129 PolarHBondContact O-N 3.14Å; L126-S130 PolarHBondContact O-N 3.33Å; L126-S130 PolarHBondContact O-OG 3.37Å
127L75.7Confident74.5Confident24 Ų2465 Ų6513%0.12637%0.365CS..Hα-helixtrans-60.6-44.3176.5-172.876.9000111.6D123 S130 L171 E174 I176 I181D123-L127 PolarHBondContact O-N 2.89Å; L127-S130 WeakPolarHBondContact O-CB 3.1Å; L127-S130 PolarHBondContact O-N 3.09Å; L127-L171 HydrophobicContact CD2-CD1 4.26Å; L127-L171 HydrophobicContact CG-CD1 4.4Å; L127-E174 HydrophobicContact CD1-CB 4.27Å; L127-I176 HydrophobicContact CD2-CD1 3.89Å; L127-I176 HydrophobicContact CD2-CG1 4.07Å; L127-I181 HydrophobicContact CD2-CD1 3.28Å; L127-I181 HydrophobicContact CD2-CG1 4.47Å
128A73.5Confident73.2Confident5 Ų561.2 Ų61.24%0.04137%0.368CS..Hα-helixtrans-62.9-43.5176.900000111.4L124 F125 L126 S130 F131 L134 L136L124-A128 VanDerWaalsContact O-CB 3.25Å; L124-A128 WeakPolarHBondContact O-CB 3.48Å; L124-A128 PolarHBondContact O-N 2.88Å; F125-A128 PolarHBondContact O-N 3.43Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.21Å; A128-S130 VanDerWaalsContact C-N 3.29Å; A128-S130 PolarHBondContact O-N 2.82Å; A128-F131 PolarHBondContact O-N 3.17Å; A128-F131 VanDerWaalsContact O-N 3.15Å; A128-L134 HydrophobicContact CB-CB 3.95Å; A128-L134 HydrophobicContact CB-CD1 4.09Å; A128-L134 WeakPolarHBondContact O-CB 3.26Å; A128-L134 WeakPolarHBondContact O-CD1 3.48Å; A128-L136 HydrophobicContact CB-CD1 3.46Å; A128-L136 VanDerWaalsContact CB-CD1 3.46Å; A128-L136 HydrophobicContact CB-CG 4.12Å
129N70.6Confident72.1Confident112 Ų11264.6 Ų64.660%0.59938%0.38SS*.Hα-helixtrans-69.6-23.9179-72.9-19000113.4F125 L126 F131F125-N129 VanDerWaalsContact O-CB 3.24Å; F125-N129 WeakPolarHBondContact O-CB 3.4Å; F125-N129 PolarHBondContact O-N 2.6Å; F125-N129 PolarHBondContact O-ND2 2.88Å; L126-N129 PolarHBondContact O-N 3.14Å; N129-F131 PolarHBondContact O-N 3.46Å
130S66.8Low71.6Confident92 Ų9264.1 Ų64.164%0.64338%0.378SS*.Hα-helixtrans-59.5-23.9172.1-62.80000112.2L126 L127 A128L126-S130 PolarHBondContact O-N 3.33Å; L126-S130 PolarHBondContact O-OG 3.37Å; L127-S130 WeakPolarHBondContact O-CB 3.1Å; L127-S130 PolarHBondContact O-N 3.09Å; A128-S130 VanDerWaalsContact C-N 3.29Å; A128-S130 PolarHBondContact O-N 2.82Å
131F62.5Low71.6Confident78 Ų7861.1 Ų61.134%0.34236%0.359SS..SBendtrans-107.7118.6175.7-69.8-104.2000109.6A128 N129 G133 L134 L171A128-F131 PolarHBondContact O-N 3.17Å; A128-F131 VanDerWaalsContact O-N 3.15Å; N129-F131 PolarHBondContact O-N 3.46Å; F131-G133 PolarHBondContact O-N 3.41Å; F131-G133 VanDerWaalsContact O-N 3.12Å; F131-L134 HydrophobicContact CB-CD1 3.88Å; F131-L134 HydrophobicContact CB-CG 4.34Å; F131-L171 HydrophobicContact CB-CD2 4.41Å; F131-L171 HydrophobicContact CD1-CD2 3.78Å; F131-L171 HydrophobicContact CD2-CD2 3.14Å; F131-L171 HydrophobicContact CD2-CG 4.49Å; F131-L171 HydrophobicContact CE1-CD2 3.7Å; F131-L171 HydrophobicContact CE2-CD2 3.06Å; F131-L171 HydrophobicContact CG-CD2 3.51Å; F131-L171 HydrophobicContact CZ-CD2 3.35Å
132S56.5Low71.6Confident107 Ų10758.3 Ų58.375%0.74835%0.351SS*.THydrogen-bonded Turntrans-59.6118.9-175.854.60000111.9K167S132-K167 PolarHBondContact O-NZ 2.98Å
133G60.8Low71.9Confident49 Ų4958.4 Ų58.451%0.50534%0.341SS..THydrogen-bonded Turntrans100.516.5172.300000116.4F131 E135F131-G133 PolarHBondContact O-N 3.41Å; F131-G133 VanDerWaalsContact O-N 3.12Å; G133-E135 PolarHBondContact O-N 2.98Å
134L66.7Low71.7Confident7 Ų755.8 Ų55.84%0.03733%0.327CS..  trans-86.283.8170.2-66.7-178.4000111.3A128 F131 L136 F159 A164 K167 A168 L171A128-L134 HydrophobicContact CB-CB 3.95Å; A128-L134 HydrophobicContact CB-CD1 4.09Å; A128-L134 WeakPolarHBondContact O-CB 3.26Å; A128-L134 WeakPolarHBondContact O-CD1 3.48Å; F131-L134 HydrophobicContact CB-CD1 3.88Å; F131-L134 HydrophobicContact CB-CG 4.34Å; L134-L136 PolarHBondContact O-N 3.33Å; L134-L136 VanDerWaalsContact O-N 3.15Å; L134-F159 HydrophobicContact CB-CE1 4.15Å; L134-F159 HydrophobicContact CD2-CD1 4.3Å; L134-F159 HydrophobicContact CD2-CE1 3.91Å; L134-F159 HydrophobicContact CG-CE1 4.46Å; L134-A164 HydrophobicContact CD2-CB 3.99Å; L134-A164 WeakPolarHBondContact CD2-O 3.1Å; L134-K167 HydrophobicContact CD2-CB 3.72Å; L134-A168 HydrophobicContact CD2-CB 4.1Å; L134-L171 HydrophobicContact CD1-CD1 3.8Å
135E65.9Low71.8Confident117 Ų11758.8 Ų58.855%0.54735%0.345SS..  trans-79.295.6169.9-72.7-165-157.900111.3G133 K160G133-E135 PolarHBondContact O-N 2.98Å; E135-K160 HydrophobicContact CB-CD 4.25Å; E135-K160 PolarHBondContact O-N 2.63Å; E135-K160 IonicContact OE2-NZ 2.99Å; E135-K160 PolarHBondContact OE2-NZ 3.39Å
136L68.3Low71.9Confident16 Ų1659 Ų598%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-67.4138.9168.7-72.3160.9000110.3F125 A128 L134 G138 I141 A157 F159F125-L136 HydrophobicContact CD1-CB 4.29Å; F125-L136 HydrophobicContact CD1-CD1 3.49Å; F125-L136 VanDerWaalsContact CD1-CD1 3.49Å; F125-L136 HydrophobicContact CE1-CB 3.66Å; F125-L136 HydrophobicContact CE1-CD1 3.68Å; F125-L136 HydrophobicContact CE1-CG 4.34Å; F125-L136 HydrophobicContact CG-CD1 4.1Å; F125-L136 HydrophobicContact CZ-CB 4.28Å; F125-L136 HydrophobicContact CZ-CD1 4.38Å; A128-L136 HydrophobicContact CB-CD1 3.46Å; A128-L136 VanDerWaalsContact CB-CD1 3.46Å; A128-L136 HydrophobicContact CB-CG 4.12Å; L134-L136 PolarHBondContact O-N 3.33Å; L134-L136 VanDerWaalsContact O-N 3.15Å; L136-G138 PolarHBondContact O-N 3.39Å; L136-I141 HydrophobicContact CD1-CD1 3.9Å; L136-I141 HydrophobicContact CD2-CD1 4.32Å; L136-I141 HydrophobicContact CD2-CG1 4.33Å; L136-A157 HydrophobicContact CD2-CB 3.99Å; L136-F159 HydrophobicContact CD2-CD1 3.86Å; L136-F159 HydrophobicContact CD2-CE1 3.39Å; L136-F159 HydrophobicContact CD2-CE2 4.27Å; L136-F159 HydrophobicContact CD2-CG 4.49Å; L136-F159 HydrophobicContact CD2-CZ 3.62Å; L136-F159 HydrophobicContact CG-CD1 4.3Å; L136-F159 HydrophobicContact CG-CE1 3.88Å
137A64.7Low71.9Confident27 Ų2763 Ų6322%0.22336%0.362CS..EExtended strand (participates in β ladder)trans-67.9126.5163.300000107.5E139 G140 R158 K160A137-E139 PolarHBondContact O-N 3.08Å; A137-G140 WeakPolarHBondContact O-CA 3.48Å; A137-G140 PolarHBondContact O-N 3.24Å; A137-R158 PolarHBondContact N-O 2.69Å; A137-R158 VanDerWaalsContact N-O 3.1Å; A137-K160 HydrophobicContact CB-CG 4.44Å
138G59.2Low72Confident58 Ų5865.3 Ų65.360%0.59839%0.385SS*.EExtended strand (participates in β ladder)trans-54.9-27-173.800000114.9L136L136-G138 PolarHBondContact O-N 3.39Å
139E64.6Low72.2Confident184 Ų18467 Ų6786%0.8640%0.402SS*.EExtended strand (participates in β ladder)trans-101.32.7175.8-62.1-168.8154.500113.9A137 I141A137-E139 PolarHBondContact O-N 3.08Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 2.91Å
140G75.3Confident72.7Confident6 Ų669.4 Ų69.46%0.06240%0.403CS..EExtended strand (participates in β ladder)trans-81.4-3.6-172.700000115.5A137 A157 R158A137-G140 WeakPolarHBondContact O-CA 3.48Å; A137-G140 PolarHBondContact O-N 3.24Å; G140-A157 CarbonylContact O-C 3.52Å; G140-A157 WeakPolarHBondContact O-CA 3.46Å; G140-R158 PolarHBondContact O-N 2.89Å
141I84.2Confident73.5Confident3 Ų367 Ų672%0.01539%0.388CS..EExtended strand (participates in β ladder)trans-100.6120.3-179.7-63.3167.7000110.6K121 L124 F125 L136 E139 F143 F156 A157K121-I141 WeakPolarHBondContact CE-O 3.31Å; K121-I141 HydrophobicContact CG-CG2 4.2Å; L124-I141 HydrophobicContact CB-CD1 4.1Å; L124-I141 HydrophobicContact CD1-CG2 3.67Å; F125-I141 HydrophobicContact CD2-CD1 4.09Å; F125-I141 HydrophobicContact CE2-CD1 3.79Å; F125-I141 HydrophobicContact CZ-CD1 4.1Å; L136-I141 HydrophobicContact CD1-CD1 3.9Å; L136-I141 HydrophobicContact CD2-CD1 4.32Å; L136-I141 HydrophobicContact CD2-CG1 4.33Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 2.91Å; I141-F143 HydrophobicContact CG2-CE2 4.08Å; I141-F143 HydrophobicContact CG2-CZ 4.01Å; I141-F156 CarbonylContact C-O 3.46Å; I141-F156 VanDerWaalsContact CA-O 3.27Å; I141-F156 WeakPolarHBondContact CA-O 3.37Å; I141-A157 HydrophobicContact CG1-CB 4.28Å
142V85.1Confident74.6Confident44 Ų4465.2 Ų65.227%0.26739%0.386SS..EExtended strand (participates in β ladder)trans-131.9127.8177.8-160.50000110.6G155 F156 M191 T195V142-G155 CarbonylContact O-C 3.54Å; V142-G155 WeakPolarHBondContact O-CA 3.47Å; V142-F156 PolarHBondContact N-O 3.21Å; V142-F156 PolarHBondContact O-N 3.13Å; V142-M191 HydrophobicContact CG2-CG 4.4Å; V142-M191 HydrophobicContact CG2-SD 4.08Å; V142-T195 HydrophobicContact CB-CG2 3.62Å; V142-T195 HydrophobicContact CG1-CG2 3.19Å; V142-T195 HydrophobicContact CG2-CG2 4.48Å
143F86.9Confident76Confident57 Ų5760.3 Ų60.325%0.2535%0.352CS..EExtended strand (participates in β ladder)trans-92.8136.1175.5-60.2-77.5000110.4L115 K121 L124 I141L115-F143 HydrophobicContact CD1-CD1 3.85Å; L115-F143 HydrophobicContact CD1-CE1 3.84Å; K121-F143 HydrophobicContact CB-CE2 4.48Å; K121-F143 HydrophobicContact CG-CE2 3.61Å; K121-F143 HydrophobicContact CG-CZ 4.3Å; L124-F143 HydrophobicContact CD1-CE1 3.55Å; L124-F143 HydrophobicContact CD1-CZ 3.69Å; L124-F143 HydrophobicContact CG-CE1 4.39Å; L124-F143 HydrophobicContact CG-CZ 4.4Å; I141-F143 HydrophobicContact CG2-CE2 4.08Å; I141-F143 HydrophobicContact CG2-CZ 4.01Å
144G82.4Confident77.3Confident1 Ų159.4 Ų59.41%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-75.3135.5171.300000110.5S152 E154G144-S152 WeakPolarHBondContact O-CB 3.36Å; G144-S152 PolarHBondContact O-N 3.48Å; G144-S152 PolarHBondContact O-OG 2.75Å; G144-E154 PolarHBondContact N-O 3.39Å
145V82.6Confident78.4Confident70 Ų7059 Ų5942%0.42433%0.333SS..EExtended strand (participates in β ladder)trans-111.4145.4171.5-65.80000110.6R150V145-R150 CarbonylContact C-O 3.55Å; V145-R150 VanDerWaalsContact CA-O 3.26Å; V145-R150 WeakPolarHBondContact CA-O 3.35Å
146D79.2Confident79.5Confident68 Ų6853.5 Ų53.536%0.36431%0.307SS..  trans-69.9170.8169.5-17121.6000110.6A148 G149 R150D146-A148 PolarHBondContact O-N 3.07Å; D146-G149 PolarHBondContact O-N 3.22Å; D146-R150 PolarHBondContact N-O 2.65Å
147K78.4Confident80.5Confident199 Ų19952.9 Ų52.987%0.86531%0.305SS*.THydrogen-bonded Turntrans-54.8-27.5179.4-62.1-179.3-178.1-179.40113.4G149K147-G149 VanDerWaalsContact C-N 3.32Å
148A78.4Confident81.6Confident72 Ų7256.9 Ų56.960%0.59531%0.314SS*.THydrogen-bonded Turntrans-85.52.8176.500000114D146 R150D146-A148 PolarHBondContact O-N 3.07Å; A148-R150 VanDerWaalsContact C-N 3.31Å; A148-R150 HydrophobicContact CB-CG 4.5Å; A148-R150 PolarHBondContact O-N 3.24Å
149G78.3Confident82.9Confident40 Ų4054.7 Ų54.741%0.41229%0.288SS..SBendtrans80.14.9-177.100000115D146 K147D146-G149 PolarHBondContact O-N 3.22Å; K147-G149 VanDerWaalsContact C-N 3.32Å
150R80.4Confident83.8Confident163 Ų16352.1 Ų52.162%0.61527%0.274SS*.  trans-79.3147.3178-63.3-176.8-64.4178.9-0.1111V145 D146 A148 S152V145-R150 CarbonylContact C-O 3.55Å; V145-R150 VanDerWaalsContact CA-O 3.26Å; V145-R150 WeakPolarHBondContact CA-O 3.35Å; D146-R150 PolarHBondContact N-O 2.65Å; A148-R150 VanDerWaalsContact C-N 3.31Å; A148-R150 HydrophobicContact CB-CG 4.5Å; A148-R150 PolarHBondContact O-N 3.24Å; R150-S152 PolarHBondContact O-N 2.6Å
151A83.4Confident84.2Confident40 Ų4054 Ų5433%0.33129%0.286SS..EExtended strand (participates in β ladder)trans-55.5124.7173.900000110.4Y117 G153Y117-A151 HydrophobicContact CD1-CB 4.35Å; Y117-A151 VanDerWaalsContact CD1-O 3.23Å; Y117-A151 WeakPolarHBondContact CD1-O 3.35Å; Y117-A151 WeakPolarHBondContact O-CB 3.45Å; A151-G153 VanDerWaalsContact C-N 3.28Å; A151-G153 PolarHBondContact O-N 2.83Å
152S85.4Confident84.3Confident41 Ų4159.8 Ų59.829%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-81.1-9.5-177.863.50000113.5G144 R150 E154G144-S152 WeakPolarHBondContact O-CB 3.36Å; G144-S152 PolarHBondContact O-N 3.48Å; G144-S152 PolarHBondContact O-OG 2.75Å; R150-S152 PolarHBondContact O-N 2.6Å; S152-E154 PolarHBondContact O-N 2.82Å; S152-E154 WeakPolarHBondContact OG-CB 3.02Å; S152-E154 PolarHBondContact OG-N 3.46Å
153G86.5Confident84.3Confident5 Ų564.9 Ų64.95%0.05233%0.332CS..EExtended strand (participates in β ladder)trans73.510.9-16700000113.3R113 G114 L115 A151R113-G153 CarbonylContact C-O 3.53Å; G114-G153 PolarHBondContact N-O 3.47Å; L115-G153 PolarHBondContact N-O 3.06Å; L115-G153 VanDerWaalsContact O-CA 3.29Å; L115-G153 WeakPolarHBondContact O-CA 3.45Å; A151-G153 VanDerWaalsContact C-N 3.28Å; A151-G153 PolarHBondContact O-N 2.83Å
154E88.2Confident84.2Confident29 Ų2962.2 Ų62.214%0.13632%0.321CS..EExtended strand (participates in β ladder)trans-111.4144.3173.1-47.9-164.8127.900109.9R111 L112 R113 G144 S152R111-E154 IonicContact CZ-OE1 3.85Å; R111-E154 IonicContact CZ-OE2 3.58Å; R111-E154 IonicContact NH2-OE1 2.89Å; R111-E154 PolarHBondContact NH2-OE1 2.67Å; R111-E154 IonicContact NH2-OE2 3.77Å; R111-E154 PolarHBondContact NH2-OE2 2.74Å; L112-E154 CarbonylContact O-C 3.59Å; L112-E154 WeakPolarHBondContact O-CA 3.19Å; R113-E154 IonicContact CZ-OE1 2.74Å; R113-E154 IonicContact NH1-OE1 2.69Å; R113-E154 PolarHBondContact NH1-OE1 3.2Å; G144-E154 PolarHBondContact N-O 3.39Å; S152-E154 PolarHBondContact O-N 2.82Å; S152-E154 WeakPolarHBondContact OG-CB 3.02Å; S152-E154 PolarHBondContact OG-N 3.46Å
155G89.5Confident84.3Confident0 Ų062.4 Ų62.40%032%0.321CS..EExtended strand (participates in β ladder)trans-150.9169.1176.100000111.2R111 L112 V142R111-G155 CarbonylContact C-O 3.45Å; R111-G155 WeakPolarHBondContact CA-O 3.49Å; L112-G155 PolarHBondContact N-O 2.7Å; L112-G155 PolarHBondContact O-N 2.66Å; V142-G155 CarbonylContact O-C 3.54Å; V142-G155 WeakPolarHBondContact O-CA 3.47Å
156F89.5Confident84.4Confident0 Ų062.1 Ų62.10%032%0.315CS..EExtended strand (participates in β ladder)trans-132.2140.3176.6-64.8-95.3000108.2V109 V110 R111 I141 V142 S186 E190 M191 V194 T195V109-F156 HydrophobicContact CG1-CB 4.44Å; V109-F156 HydrophobicContact CG1-CD1 4.24Å; V110-F156 CarbonylContact O-C 3.55Å; V110-F156 VanDerWaalsContact O-CA 3.3Å; V110-F156 WeakPolarHBondContact O-CA 3.23Å; R111-F156 HydrophobicContact CB-CD1 3.9Å; R111-F156 HydrophobicContact CB-CE1 3.7Å; R111-F156 HydrophobicContact CB-CZ 4.42Å; R111-F156 HydrophobicContact CG-CD1 4.24Å; R111-F156 HydrophobicContact CG-CE1 3.75Å; R111-F156 HydrophobicContact CG-CZ 3.97Å; I141-F156 CarbonylContact C-O 3.46Å; I141-F156 VanDerWaalsContact CA-O 3.27Å; I141-F156 WeakPolarHBondContact CA-O 3.37Å; V142-F156 PolarHBondContact N-O 3.21Å; V142-F156 PolarHBondContact O-N 3.13Å; F156-S186 VanDerWaalsContact CE1-OG 3.31Å; F156-S186 WeakPolarHBondContact CE1-OG 3.41Å; F156-E190 HydrophobicContact CE1-CB 4.36Å; F156-E190 HydrophobicContact CE1-CG 3.95Å; F156-E190 HydrophobicContact CZ-CG 4.16Å; F156-M191 HydrophobicContact CB-CB 4.06Å; F156-M191 HydrophobicContact CB-CG 3.63Å; F156-M191 HydrophobicContact CB-SD 4.08Å; F156-M191 HydrophobicContact CD1-CB 3.84Å; F156-M191 HydrophobicContact CD1-CG 4.34Å; F156-M191 HydrophobicContact CD2-CB 4.48Å; F156-M191 HydrophobicContact CD2-CG 4.33Å; F156-M191 HydrophobicContact CE1-CB 4.43Å; F156-M191 HydrophobicContact CG-CB 3.87Å; F156-M191 HydrophobicContact CG-CG 3.85Å; F156-V194 HydrophobicContact CE2-CB 3.61Å; F156-V194 HydrophobicContact CE2-CG1 3.74Å; F156-V194 HydrophobicContact CE2-CG2 3.98Å; F156-V194 HydrophobicContact CZ-CB 3.93Å; F156-V194 HydrophobicContact CZ-CG1 4.36Å; F156-V194 HydrophobicContact CZ-CG2 3.77Å; F156-T195 HydrophobicContact CD2-CG2 4.19Å
157A88.4Confident84.7Confident4 Ų463.1 Ų63.13%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-128.3124.2176.600000108.9V109 V110 L112 L136 G140 I141 F159V109-A157 WeakPolarHBondContact CA-O 3.37Å; V110-A157 PolarHBondContact N-O 2.99Å; V110-A157 PolarHBondContact O-N 3.35Å; L112-A157 HydrophobicContact CD1-CB 4.3Å; L136-A157 HydrophobicContact CD2-CB 3.99Å; G140-A157 CarbonylContact O-C 3.52Å; G140-A157 WeakPolarHBondContact O-CA 3.46Å; I141-A157 HydrophobicContact CG1-CB 4.28Å; A157-F159 HydrophobicContact CB-CE2 4.01Å; A157-F159 HydrophobicContact CB-CZ 4.32Å
158R87.5Confident85Confident111 Ų11153.7 Ų53.742%0.41928%0.276SS..EExtended strand (participates in β ladder)trans-99.7125.2173.2-172.4177.5179.6-157.2-0.8110.5N108 V109 A137 G140N108-R158 CarbonylContact O-C 3.56Å; N108-R158 WeakPolarHBondContact O-CA 3.18Å; V109-R158 HydrophobicContact CG2-CB 4.09Å; V109-R158 HydrophobicContact CG2-CG 3.9Å; A137-R158 PolarHBondContact N-O 2.69Å; A137-R158 VanDerWaalsContact N-O 3.1Å; G140-R158 PolarHBondContact O-N 2.89Å
159F86.2Confident85.3Confident12 Ų1251.7 Ų51.75%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-96.9155177.1-64.9-88000110.8N108 V110 L134 L136 A157 A164 A168N108-F159 HydrophobicContact CB-CB 4.35Å; N108-F159 WeakPolarHBondContact CB-O 3.34Å; N108-F159 PolarHBondContact O-N 2.74Å; V110-F159 HydrophobicContact CB-CE2 4.08Å; V110-F159 HydrophobicContact CG2-CD2 3.63Å; V110-F159 HydrophobicContact CG2-CE2 3.4Å; L134-F159 HydrophobicContact CB-CE1 4.15Å; L134-F159 HydrophobicContact CD2-CD1 4.3Å; L134-F159 HydrophobicContact CD2-CE1 3.91Å; L134-F159 HydrophobicContact CG-CE1 4.46Å; L136-F159 HydrophobicContact CD2-CD1 3.86Å; L136-F159 HydrophobicContact CD2-CE1 3.39Å; L136-F159 HydrophobicContact CD2-CE2 4.27Å; L136-F159 HydrophobicContact CD2-CG 4.49Å; L136-F159 HydrophobicContact CD2-CZ 3.62Å; L136-F159 HydrophobicContact CG-CD1 4.3Å; L136-F159 HydrophobicContact CG-CE1 3.88Å; A157-F159 HydrophobicContact CB-CE2 4.01Å; A157-F159 HydrophobicContact CB-CZ 4.32Å; F159-A164 HydrophobicContact CB-CB 4.06Å; F159-A164 HydrophobicContact CD1-CB 3.88Å; F159-A164 HydrophobicContact CG-CB 4.23Å; F159-A168 HydrophobicContact CD2-CB 4.35Å; F159-A168 HydrophobicContact CE1-CB 4.01Å; F159-A168 HydrophobicContact CE2-CB 3.55Å; F159-A168 HydrophobicContact CZ-CB 3.34Å
160K84.1Confident85.6Confident130 Ų13055.2 Ų55.257%0.56526%0.264SS*.SBendtrans-74.2-35.3176.5-64.3-174.6-165.3163.10112.5N108 E135 A137N108-K160 PolarHBondContact ND2-O 3.19Å; E135-K160 HydrophobicContact CB-CD 4.25Å; E135-K160 PolarHBondContact O-N 2.63Å; E135-K160 IonicContact OE2-NZ 2.99Å; E135-K160 PolarHBondContact OE2-NZ 3.39Å; A137-K160 HydrophobicContact CB-CG 4.44Å
161S84Confident85.8Confident46 Ų4647.9 Ų47.932%0.32224%0.237SC..SBendtrans-118.2151-175.468.70000112.1E163 A164 T165S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 2.74Å; S161-A164 PolarHBondContact O-N 2.92Å; S161-A164 WeakPolarHBondContact OG-CB 3.17Å; S161-A164 PolarHBondContact OG-N 2.96Å; S161-A164 VanDerWaalsContact OG-N 3.09Å; S161-T165 PolarHBondContact O-N 3Å; S161-T165 VanDerWaalsContact O-N 3.16Å; S161-T165 PolarHBondContact O-OG1 3.46Å
162K85.1Confident85.8Confident124 Ų12448.3 Ų48.354%0.53923%0.232SC..Hα-helixtrans-62-38.9171.9-173.4-178.6177.4-174.10111.2N108 A164 T165 E166N108-K162 WeakPolarHBondContact OD1-CA 3.47Å; N108-K162 PolarHBondContact OD1-N 3.13Å; K162-A164 PolarHBondContact O-N 2.79Å; K162-T165 WeakPolarHBondContact O-CA 3.14Å; K162-T165 VanDerWaalsContact O-CB 3.26Å; K162-T165 WeakPolarHBondContact O-CB 3.47Å; K162-T165 PolarHBondContact O-N 2.89Å; K162-T165 VanDerWaalsContact O-N 3.09Å; K162-E166 PolarHBondContact O-N 2.8Å
163E86Confident85.8Confident151 Ų15151.4 Ų51.471%0.70624%0.244SC*.Hα-helixtrans-61-42.2177.2-64.2-178.6178.100112.5S161 T165 E166 K167S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 2.74Å; E163-T165 VanDerWaalsContact C-N 3.28Å; E163-T165 PolarHBondContact O-N 3.46Å; E163-E166 PolarHBondContact O-N 3.41Å; E163-K167 WeakPolarHBondContact O-CG 3.35Å; E163-K167 PolarHBondContact O-N 3.21Å
164A85Confident85.8Confident1 Ų155 Ų551%0.00826%0.259CS..Hα-helixtrans-65.3-35.7174.700000111.4L134 F159 S161 K162 K167 A168L134-A164 HydrophobicContact CD2-CB 3.99Å; L134-A164 WeakPolarHBondContact CD2-O 3.1Å; F159-A164 HydrophobicContact CB-CB 4.06Å; F159-A164 HydrophobicContact CD1-CB 3.88Å; F159-A164 HydrophobicContact CG-CB 4.23Å; S161-A164 PolarHBondContact O-N 2.92Å; S161-A164 WeakPolarHBondContact OG-CB 3.17Å; S161-A164 PolarHBondContact OG-N 2.96Å; S161-A164 VanDerWaalsContact OG-N 3.09Å; K162-A164 PolarHBondContact O-N 2.79Å; A164-K167 PolarHBondContact O-N 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.3Å; A164-A168 PolarHBondContact O-N 2.89Å
165T84.9Confident85.6Confident4 Ų461.5 Ų61.53%0.02529%0.287CS..Hα-helixtrans-62.1-45175.5-51.40000111.2N108 V110 S161 K162 E163 A168 L169N108-T165 VanDerWaalsContact CA-OG1 3.28Å; N108-T165 WeakPolarHBondContact CA-OG1 3.48Å; N108-T165 VanDerWaalsContact CB-OG1 3.24Å; N108-T165 WeakPolarHBondContact CB-OG1 3.23Å; V110-T165 HydrophobicContact CG2-CG2 3.61Å; S161-T165 PolarHBondContact O-N 3Å; S161-T165 VanDerWaalsContact O-N 3.16Å; S161-T165 PolarHBondContact O-OG1 3.46Å; K162-T165 WeakPolarHBondContact O-CA 3.14Å; K162-T165 VanDerWaalsContact O-CB 3.26Å; K162-T165 WeakPolarHBondContact O-CB 3.47Å; K162-T165 PolarHBondContact O-N 2.89Å; K162-T165 VanDerWaalsContact O-N 3.09Å; E163-T165 VanDerWaalsContact C-N 3.28Å; E163-T165 PolarHBondContact O-N 3.46Å; T165-A168 WeakPolarHBondContact O-CB 3.47Å; T165-A168 PolarHBondContact O-N 2.92Å; T165-L169 WeakPolarHBondContact O-CG 3.38Å; T165-L169 PolarHBondContact O-N 2.95Å
166E85Confident85.4Confident64 Ų6462.2 Ų62.230%0.29929%0.291SS..Hα-helixtrans-63.5-45.7177.7-65.7-59140.700111.6K162 E163 A168 L169 R185K162-E166 PolarHBondContact O-N 2.8Å; E163-E166 PolarHBondContact O-N 3.41Å; E166-A168 VanDerWaalsContact C-N 3.25Å; E166-A168 PolarHBondContact O-N 3.43Å; E166-L169 WeakPolarHBondContact O-CB 3.48Å; E166-L169 PolarHBondContact O-N 3.37Å; E166-L169 VanDerWaalsContact O-N 3.12Å; E166-R185 IonicContact OE1-CZ 2.72Å; E166-R185 IonicContact OE1-NE 2.81Å; E166-R185 PolarHBondContact OE1-NE 3.26Å; E166-R185 IonicContact OE1-NH2 3.43Å; E166-R185 PolarHBondContact OE1-NH2 3.37Å; E166-R185 IonicContact OE2-CZ 2.97Å; E166-R185 IonicContact OE2-NH2 3.68Å; E166-R185 PolarHBondContact OE2-NH2 3.36Å
167K85.2Confident85.1Confident89 Ų8965.6 Ų65.639%0.38733%0.326SS..Hα-helixtrans-60-34.8173.7-72.4178.9175-175.60112.9S132 L134 E163 A164 L169 D170S132-K167 PolarHBondContact O-NZ 2.98Å; L134-K167 HydrophobicContact CD2-CB 3.72Å; E163-K167 WeakPolarHBondContact O-CG 3.35Å; E163-K167 PolarHBondContact O-N 3.21Å; A164-K167 PolarHBondContact O-N 3.24Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.35Å; K167-D170 WeakPolarHBondContact O-CB 3.21Å; K167-D170 PolarHBondContact O-N 3.43Å
168A85.1Confident84.7Confident2 Ų270.6 Ų70.62%0.01735%0.348CS..Hα-helixtrans-68.2-30.9178.500000112.1V110 L134 F159 A164 T165 E166 D170 L171 V183V110-A168 HydrophobicContact CG2-CB 4.32Å; L134-A168 HydrophobicContact CD2-CB 4.1Å; F159-A168 HydrophobicContact CD2-CB 4.35Å; F159-A168 HydrophobicContact CE1-CB 4.01Å; F159-A168 HydrophobicContact CE2-CB 3.55Å; F159-A168 HydrophobicContact CZ-CB 3.34Å; A164-A168 WeakPolarHBondContact O-CB 3.3Å; A164-A168 PolarHBondContact O-N 2.89Å; T165-A168 WeakPolarHBondContact O-CB 3.47Å; T165-A168 PolarHBondContact O-N 2.92Å; E166-A168 VanDerWaalsContact C-N 3.25Å; E166-A168 PolarHBondContact O-N 3.43Å; A168-D170 PolarHBondContact O-N 2.78Å; A168-L171 VanDerWaalsContact O-CB 3.24Å; A168-L171 WeakPolarHBondContact O-CB 3.45Å; A168-L171 WeakPolarHBondContact O-CG 3.26Å; A168-L171 PolarHBondContact O-N 2.77Å; A168-L171 VanDerWaalsContact O-N 3.12Å; A168-V183 WeakPolarHBondContact O-CG1 3.28Å
169L84.4Confident84.8Confident30 Ų3068.8 Ų68.816%0.15734%0.341CS..Hα-helixtrans-65.9-28175.9-64.1166.4000112.3V110 T165 E166 K167 L171 H172 V183 R185V110-L169 HydrophobicContact CG1-CD2 3.87Å; T165-L169 WeakPolarHBondContact O-CG 3.38Å; T165-L169 PolarHBondContact O-N 2.95Å; E166-L169 WeakPolarHBondContact O-CB 3.48Å; E166-L169 PolarHBondContact O-N 3.37Å; E166-L169 VanDerWaalsContact O-N 3.12Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.35Å; L169-L171 PolarHBondContact O-N 3Å; L169-H172 WeakPolarHBondContact O-CB 3.1Å; L169-H172 PolarHBondContact O-N 2.96Å; L169-V183 HydrophobicContact CD2-CG1 4.34Å; L169-R185 HydrophobicContact CD1-CG 3.47Å; L169-R185 VanDerWaalsContact CD1-CG 3.47Å; L169-R185 HydrophobicContact CD2-CB 4.45Å; L169-R185 HydrophobicContact CD2-CG 3.63Å; L169-R185 HydrophobicContact CG-CG 4.16Å
170D84.4Confident84.8Confident113 Ų11374.7 Ų74.760%0.60436%0.364SS*.THydrogen-bonded Turntrans-70.4-13.4175.7-60.9-30.4000112.5K167 A168 H172K167-D170 WeakPolarHBondContact O-CB 3.21Å; K167-D170 PolarHBondContact O-N 3.43Å; A168-D170 PolarHBondContact O-N 2.78Å; D170-H172 PolarHBondContact O-N 2.75Å
171L83.9Confident85.1Confident9 Ų968.5 Ų68.55%0.04734%0.337CS..THydrogen-bonded Turntrans-74.56.3171.6-52.6179.8000113.5L127 F131 L134 A168 L169 M173 E174 V183L127-L171 HydrophobicContact CD2-CD1 4.26Å; L127-L171 HydrophobicContact CG-CD1 4.4Å; F131-L171 HydrophobicContact CB-CD2 4.41Å; F131-L171 HydrophobicContact CD1-CD2 3.78Å; F131-L171 HydrophobicContact CD2-CD2 3.14Å; F131-L171 HydrophobicContact CD2-CG 4.49Å; F131-L171 HydrophobicContact CE1-CD2 3.7Å; F131-L171 HydrophobicContact CE2-CD2 3.06Å; F131-L171 HydrophobicContact CG-CD2 3.51Å; F131-L171 HydrophobicContact CZ-CD2 3.35Å; L134-L171 HydrophobicContact CD1-CD1 3.8Å; A168-L171 VanDerWaalsContact O-CB 3.24Å; A168-L171 WeakPolarHBondContact O-CB 3.45Å; A168-L171 WeakPolarHBondContact O-CG 3.26Å; A168-L171 PolarHBondContact O-N 2.77Å; A168-L171 VanDerWaalsContact O-N 3.12Å; L169-L171 PolarHBondContact O-N 3Å; L171-M173 PolarHBondContact O-N 2.82Å; L171-E174 HydrophobicContact CB-CG 4.29Å; L171-E174 HydrophobicContact CD2-CG 4.46Å; L171-E174 WeakPolarHBondContact O-CB 3.33Å; L171-E174 WeakPolarHBondContact O-CG 3.44Å; L171-E174 PolarHBondContact O-N 2.83Å; L171-E174 VanDerWaalsContact O-N 3.14Å; L171-V183 HydrophobicContact CB-CG2 4.15Å
172H83.9Confident85.2Confident49 Ų4968.3 Ų68.323%0.22733%0.331CS..THydrogen-bonded Turntrans-60.4128.2178.9-174.181000110.8S21 L169 D170 E174 V183S21-H172 PolarHBondContact OG-NE2 2.76Å; L169-H172 WeakPolarHBondContact O-CB 3.1Å; L169-H172 PolarHBondContact O-N 2.96Å; D170-H172 PolarHBondContact O-N 2.75Å; H172-E174 VanDerWaalsContact C-N 3.33Å; H172-V183 HydrophobicContact CB-CB 4.48Å; H172-V183 PolarHBondContact ND1-N 2.84Å; H172-V183 PolarHBondContact ND1-O 2.86Å
173M85.2Confident85.4Confident106 Ų10662.7 Ų62.752%0.52231%0.307SS..THydrogen-bonded Turntrans74.47.6-175-54.4-176.466.400116.6Q77 L171 I181Q77-M173 HydrophobicContact CG-CE 4.41Å; L171-M173 PolarHBondContact O-N 2.82Å; M173-I181 WeakPolarHBondContact CA-O 3.37Å; M173-I181 PolarHBondContact N-O 3.49Å
174E86.5Confident85.4Confident82 Ų8256.1 Ų56.138%0.38328%0.277SS..  trans-63.5155.2171.1-76.1-60.8156.100112.2L127 L171 H172 Y180 I181L127-E174 HydrophobicContact CD1-CB 4.27Å; L171-E174 HydrophobicContact CB-CG 4.29Å; L171-E174 HydrophobicContact CD2-CG 4.46Å; L171-E174 WeakPolarHBondContact O-CB 3.33Å; L171-E174 WeakPolarHBondContact O-CG 3.44Å; L171-E174 PolarHBondContact O-N 2.83Å; L171-E174 VanDerWaalsContact O-N 3.14Å; H172-E174 VanDerWaalsContact C-N 3.33Å; E174-Y180 CarbonylContact O-C 3.55Å; E174-Y180 VanDerWaalsContact O-CA 3.28Å; E174-Y180 WeakPolarHBondContact O-CA 3.34Å; E174-I181 HydrophobicContact CB-CG1 4.29Å; E174-I181 WeakPolarHBondContact O-CG1 3.29Å; E174-I181 PolarHBondContact O-N 2.8Å
175K84Confident85.4Confident164 Ų16461.5 Ų61.571%0.71330%0.297SS*.EExtended strand (participates in β ladder)trans-97.6130.5-177.1-68.8-178.6-178.7177.10111.7R179K175-R179 WeakPolarHBondContact CA-O 3.36Å
176I84.9Confident85.3Confident16 Ų1661.3 Ų61.38%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-116.3114.7163.6-57.1-175.7000107.2L115 P116 D123 L124 L127 H178 R179 I181L115-I176 HydrophobicContact CD2-CD1 3.93Å; P116-I176 HydrophobicContact CG-CB 4.26Å; P116-I176 HydrophobicContact CG-CG2 4.03Å; P116-I176 WeakPolarHBondContact CG-O 3.23Å; D123-I176 HydrophobicContact CB-CG2 4.24Å; L124-I176 HydrophobicContact CD2-CD1 3.66Å; L127-I176 HydrophobicContact CD2-CD1 3.89Å; L127-I176 HydrophobicContact CD2-CG1 4.07Å; I176-H178 PolarHBondContact O-N 2.72Å; I176-H178 VanDerWaalsContact O-N 3.16Å; I176-R179 PolarHBondContact N-O 2.96Å; I176-R179 PolarHBondContact O-N 3.24Å; I176-R179 VanDerWaalsContact O-N 3.15Å; I176-R179 VanDerWaalsContact O-O 3.12Å; I176-I181 HydrophobicContact CB-CG2 4.17Å; I176-I181 HydrophobicContact CD1-CD1 4.23Å; I176-I181 HydrophobicContact CD1-CG2 3.64Å; I176-I181 HydrophobicContact CG1-CG2 3.7Å
177G82.4Confident85.2Confident71 Ų7158.7 Ų58.773%0.73228%0.284SS*.THydrogen-bonded Turntrans58.7-117.4-173.600000111.6
178H81.8Confident85.1Confident109 Ų10956.7 Ų56.751%0.50528%0.277SS..THydrogen-bonded Turntrans-100.53.2-17865.7-84.9000113.9I176I176-H178 PolarHBondContact O-N 2.72Å; I176-H178 VanDerWaalsContact O-N 3.16Å
179R87.9Confident84.9Confident73 Ų7361.2 Ų61.228%0.27530%0.298SS..EExtended strand (participates in β ladder)trans-120.2145.7-177-59.9179.5641321.9110.7G114 P116 K175 I176G114-R179 VanDerWaalsContact O-CB 3.28Å; G114-R179 WeakPolarHBondContact O-CB 3.17Å; G114-R179 PolarHBondContact O-NE 3.46Å; P116-R179 HydrophobicContact CG-CB 4.25Å; P116-R179 HydrophobicContact CG-CG 4.41Å; K175-R179 WeakPolarHBondContact CA-O 3.36Å; I176-R179 PolarHBondContact N-O 2.96Å; I176-R179 PolarHBondContact O-N 3.24Å; I176-R179 VanDerWaalsContact O-N 3.15Å; I176-R179 VanDerWaalsContact O-O 3.12Å
180Y87.8Confident84.7Confident135 Ų13561.3 Ų61.353%0.52930%0.298SS..EExtended strand (participates in β ladder)trans-81.8146.3165.457.7-90000109.4E174 E182E174-Y180 CarbonylContact O-C 3.55Å; E174-Y180 VanDerWaalsContact O-CA 3.28Å; E174-Y180 WeakPolarHBondContact O-CA 3.34Å; Y180-E182 HydrophobicContact CD2-CG 4.33Å; Y180-E182 HydrophobicContact CE2-CG 4.3Å
181I89.4Confident84.6Confident0 Ų056.8 Ų56.80%027%0.273CS..  trans-100.9142.8174.568.2168000110L112 R113 L115 L127 M173 E174 I176 V183L112-I181 HydrophobicContact CD2-CD1 4.48Å; R113-I181 CarbonylContact O-C 3.53Å; R113-I181 WeakPolarHBondContact O-CA 3.23Å; L115-I181 HydrophobicContact CD2-CG2 3.81Å; L127-I181 HydrophobicContact CD2-CD1 3.28Å; L127-I181 HydrophobicContact CD2-CG1 4.47Å; M173-I181 WeakPolarHBondContact CA-O 3.37Å; M173-I181 PolarHBondContact N-O 3.49Å; E174-I181 HydrophobicContact CB-CG1 4.29Å; E174-I181 WeakPolarHBondContact O-CG1 3.29Å; E174-I181 PolarHBondContact O-N 2.8Å; I176-I181 HydrophobicContact CB-CG2 4.17Å; I176-I181 HydrophobicContact CD1-CD1 4.23Å; I176-I181 HydrophobicContact CD1-CG2 3.64Å; I176-I181 HydrophobicContact CG1-CG2 3.7Å; I181-V183 HydrophobicContact CD1-CG2 3.83Å; I181-V183 HydrophobicContact CG1-CG2 4.1Å
182E87Confident84.5Confident43 Ų4358.8 Ų58.820%0.20128%0.284CS..EExtended strand (participates in β ladder)trans-108.3127169.8-60.7173.4171.900108.1L112 R113 Y180 F184L112-E182 CarbonylContact C-O 3.6Å; L112-E182 WeakPolarHBondContact CA-O 3.41Å; R113-E182 HydrophobicContact CB-CB 4.32Å; R113-E182 PolarHBondContact N-O 2.98Å; R113-E182 PolarHBondContact O-N 3.46Å; Y180-E182 HydrophobicContact CD2-CG 4.33Å; Y180-E182 HydrophobicContact CE2-CG 4.3Å; E182-F184 HydrophobicContact CB-CD2 4.4Å; E182-F184 HydrophobicContact CB-CE2 3.44Å; E182-F184 VanDerWaalsContact CB-CE2 3.44Å; E182-F184 HydrophobicContact CB-CZ 3.57Å; E182-F184 HydrophobicContact CG-CZ 4.34Å; E182-F184 WeakPolarHBondContact OE2-CZ 3.28Å
183V88.3Confident84.3Confident6 Ų663.8 Ų63.84%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-109.7128.6-177-170.10000109.4V110 L112 A168 L169 L171 H172 I181V110-V183 HydrophobicContact CB-CG1 4.37Å; V110-V183 HydrophobicContact CG1-CG1 3.14Å; L112-V183 HydrophobicContact CD2-CB 4.26Å; L112-V183 HydrophobicContact CD2-CG1 3.89Å; L112-V183 HydrophobicContact CD2-CG2 3.7Å; A168-V183 WeakPolarHBondContact O-CG1 3.28Å; L169-V183 HydrophobicContact CD2-CG1 4.34Å; L171-V183 HydrophobicContact CB-CG2 4.15Å; H172-V183 HydrophobicContact CB-CB 4.48Å; H172-V183 PolarHBondContact ND1-N 2.84Å; H172-V183 PolarHBondContact ND1-O 2.86Å; I181-V183 HydrophobicContact CD1-CG2 3.83Å; I181-V183 HydrophobicContact CG1-CG2 4.1Å
184F85.5Confident83.8Confident13 Ų1359.7 Ų59.76%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-133.4142.1-176.9-56.6-73.8000111.5W20 R49 V110 R111 R113 E182 S186W20-F184 HydrophobicContact CB-CD1 4.42Å; W20-F184 HydrophobicContact CB-CE1 3.74Å; W20-F184 AromaticContact CE3-CE1 3.87Å; W20-F184 HydrophobicContact CE3-CE1 3.87Å; W20-F184 HydrophobicContact CE3-CE2 4.5Å; W20-F184 AromaticContact CE3-CZ 3.61Å; W20-F184 HydrophobicContact CE3-CZ 3.61Å; W20-F184 HydrophobicContact CZ3-CZ 4.23Å; R49-F184 VanDerWaalsContact NH2-CD2 3.34Å; V110-F184 CarbonylContact C-O 3.59Å; V110-F184 WeakPolarHBondContact CA-O 3.35Å; V110-F184 WeakPolarHBondContact CG1-O 3.16Å; R111-F184 HydrophobicContact CB-CB 4.42Å; R111-F184 PolarHBondContact N-O 2.99Å; R111-F184 PolarHBondContact O-N 3.39Å; R113-F184 HydrophobicContact CB-CE2 4.13Å; E182-F184 HydrophobicContact CB-CD2 4.4Å; E182-F184 HydrophobicContact CB-CE2 3.44Å; E182-F184 VanDerWaalsContact CB-CE2 3.44Å; E182-F184 HydrophobicContact CB-CZ 3.57Å; E182-F184 HydrophobicContact CG-CZ 4.34Å; E182-F184 WeakPolarHBondContact OE2-CZ 3.28Å; F184-S186 PolarHBondContact O-N 3.28Å
185R85.6Confident83.1Confident114 Ų11457.7 Ų57.743%0.4328%0.275SS..EExtended strand (participates in β ladder)trans-58.9139167.5-69.6-171.1-178.6137.81.2110.2N104 E166 L169N104-R185 HydrophobicContact CB-CB 4.26Å; N104-R185 PolarHBondContact ND2-O 3.34Å; E166-R185 IonicContact OE1-CZ 2.72Å; E166-R185 IonicContact OE1-NE 2.81Å; E166-R185 PolarHBondContact OE1-NE 3.26Å; E166-R185 IonicContact OE1-NH2 3.43Å; E166-R185 PolarHBondContact OE1-NH2 3.37Å; E166-R185 IonicContact OE2-CZ 2.97Å; E166-R185 IonicContact OE2-NH2 3.68Å; E166-R185 PolarHBondContact OE2-NH2 3.36Å; L169-R185 HydrophobicContact CD1-CG 3.47Å; L169-R185 VanDerWaalsContact CD1-CG 3.47Å; L169-R185 HydrophobicContact CD2-CB 4.45Å; L169-R185 HydrophobicContact CD2-CG 3.63Å; L169-R185 HydrophobicContact CG-CG 4.16Å
186S83.6Confident82.3Confident0 Ų056.4 Ų56.40%027%0.269CS..EExtended strand (participates in β ladder)trans-146174.7-178.4-169.30000110.1N104 V109 F156 F184 E190N104-S186 WeakPolarHBondContact CA-O 3.34Å; V109-S186 CarbonylContact O-C 3.52Å; V109-S186 PolarHBondContact O-N 3.15Å; F156-S186 VanDerWaalsContact CE1-OG 3.31Å; F156-S186 WeakPolarHBondContact CE1-OG 3.41Å; F184-S186 PolarHBondContact O-N 3.28Å; S186-E190 WeakPolarHBondContact OG-CB 3.28Å; S186-E190 VanDerWaalsContact OG-CD 3.24Å; S186-E190 PolarHBondContact OG-OE2 3.3Å
187S82.7Confident81Confident8 Ų862 Ų626%0.05629%0.29CS..  trans-120165178.481.80000111.2N104 D107 E189 E190 M191N104-S187 WeakPolarHBondContact OD1-CB 3.43Å; D107-S187 WeakPolarHBondContact OD2-CB 3.24Å; S187-E189 WeakPolarHBondContact CB-OE2 3.43Å; S187-E189 PolarHBondContact O-N 2.88Å; S187-E189 PolarHBondContact OG-N 2.93Å; S187-E189 PolarHBondContact OG-OE2 2.78Å; S187-E190 PolarHBondContact O-N 2.8Å; S187-E190 PolarHBondContact OG-N 2.77Å; S187-M191 PolarHBondContact O-N 3.18Å
188I82.8Confident79Confident47 Ų4763.3 Ų63.324%0.24129%0.285CS..Hα-helixtrans-63.5-32.9176-160.7164.1000111.4D107 V109 M191 D192D107-I188 HydrophobicContact CB-CB 4.16Å; D107-I188 WeakPolarHBondContact OD2-CG2 3.37Å; D107-I188 PolarHBondContact OD2-N 3.25Å; V109-I188 HydrophobicContact CG2-CB 4.47Å; I188-M191 HydrophobicContact CG1-CE 3.83Å; I188-M191 PolarHBondContact O-N 3.49Å; I188-D192 WeakPolarHBondContact O-CB 3.44Å; I188-D192 PolarHBondContact O-N 2.99Å
189E81.1Confident77Confident97 Ų9766.4 Ų66.445%0.45330%0.302SS..Hα-helixtrans-68.7-35.7176.5-54.879.8-169.300112.1S187 R193S187-E189 WeakPolarHBondContact CB-OE2 3.43Å; S187-E189 PolarHBondContact O-N 2.88Å; S187-E189 PolarHBondContact OG-N 2.93Å; S187-E189 PolarHBondContact OG-OE2 2.78Å; E189-R193 WeakPolarHBondContact O-CB 3.27Å; E189-R193 VanDerWaalsContact O-CG 3.24Å; E189-R193 WeakPolarHBondContact O-CG 3.28Å; E189-R193 PolarHBondContact O-N 3.01Å; E189-R193 PolarHBondContact O-NE 3.41Å
190E79.4Confident74.6Confident33 Ų3368.6 Ų68.615%0.15432%0.323CS..Hα-helixtrans-67-46.5174-168.7-173.8171.700111.2R49 R111 F156 S186 S187 D192 R193 V194R49-E190 IonicContact NH1-OE1 2.64Å; R111-E190 WeakPolarHBondContact CD-OE1 3.44Å; R111-E190 IonicContact CZ-OE1 2.74Å; R111-E190 IonicContact NE-OE1 2.7Å; R111-E190 IonicContact NH1-OE1 2.66Å; R111-E190 PolarHBondContact NH1-OE1 3.32Å; F156-E190 HydrophobicContact CE1-CB 4.36Å; F156-E190 HydrophobicContact CE1-CG 3.95Å; F156-E190 HydrophobicContact CZ-CG 4.16Å; S186-E190 WeakPolarHBondContact OG-CB 3.28Å; S186-E190 VanDerWaalsContact OG-CD 3.24Å; S186-E190 PolarHBondContact OG-OE2 3.3Å; S187-E190 PolarHBondContact O-N 2.8Å; S187-E190 PolarHBondContact OG-N 2.77Å; E190-D192 VanDerWaalsContact C-N 3.29Å; E190-D192 PolarHBondContact O-N 3.28Å; E190-R193 PolarHBondContact O-N 3.12Å; E190-V194 WeakPolarHBondContact O-CG2 3.39Å; E190-V194 PolarHBondContact O-N 3.48Å; E190-V194 VanDerWaalsContact O-N 3.08Å
191M83.6Confident72.1Confident18 Ų1869.9 Ų69.99%0.08934%0.336CS..Hα-helixtrans-53.9-48.9173.6179.4-176.980.200110.5V109 V142 F156 S187 I188 V194 T195V109-M191 HydrophobicContact CG1-CB 4.28Å; V109-M191 HydrophobicContact CG1-SD 4.48Å; V142-M191 HydrophobicContact CG2-CG 4.4Å; V142-M191 HydrophobicContact CG2-SD 4.08Å; F156-M191 HydrophobicContact CB-CB 4.06Å; F156-M191 HydrophobicContact CB-CG 3.63Å; F156-M191 HydrophobicContact CB-SD 4.08Å; F156-M191 HydrophobicContact CD1-CB 3.84Å; F156-M191 HydrophobicContact CD1-CG 4.34Å; F156-M191 HydrophobicContact CD2-CB 4.48Å; F156-M191 HydrophobicContact CD2-CG 4.33Å; F156-M191 HydrophobicContact CE1-CB 4.43Å; F156-M191 HydrophobicContact CG-CB 3.87Å; F156-M191 HydrophobicContact CG-CG 3.85Å; S187-M191 PolarHBondContact O-N 3.18Å; I188-M191 HydrophobicContact CG1-CE 3.83Å; I188-M191 PolarHBondContact O-N 3.49Å; M191-V194 PolarHBondContact O-N 3.25Å; M191-T195 HydrophobicContact CG-CG2 4.28Å; M191-T195 VanDerWaalsContact O-CB 3.26Å; M191-T195 WeakPolarHBondContact O-CB 3.48Å; M191-T195 WeakPolarHBondContact O-CG2 3.32Å; M191-T195 PolarHBondContact O-N 2.95Å; M191-T195 PolarHBondContact O-OG1 3.15Å
192D82.3Confident69.4Low51 Ų5179.1 Ų79.127%0.27338%0.381SS..Hα-helixtrans-63.1-44178.7-89.3-1.3000112.6I188 E190 V194 T195 K196I188-D192 WeakPolarHBondContact O-CB 3.44Å; I188-D192 PolarHBondContact O-N 2.99Å; E190-D192 VanDerWaalsContact C-N 3.29Å; E190-D192 PolarHBondContact O-N 3.28Å; D192-V194 VanDerWaalsContact C-N 3.3Å; D192-V194 PolarHBondContact O-N 3.03Å; D192-T195 PolarHBondContact O-N 2.89Å; D192-K196 HydrophobicContact CB-CD 4.19Å; D192-K196 WeakPolarHBondContact O-CA 3.19Å; D192-K196 VanDerWaalsContact O-CB 3.23Å; D192-K196 WeakPolarHBondContact O-CB 3.46Å; D192-K196 PolarHBondContact O-N 2.81Å; D192-K196 WeakPolarHBondContact OD1-CE 3.41Å; D192-K196 IonicContact OD1-NZ 3.85Å; D192-K196 PolarHBondContact OD1-NZ 2.82Å; D192-K196 IonicContact OD2-NZ 3.79Å; D192-K196 PolarHBondContact OD2-NZ 3.18Å
193R78.4Confident66.8Low153 Ų15379.3 Ų79.358%0.57740%0.395SS*.Hα-helixtrans-61.3-36.2178.9-78.6-178.1-62.2-142.21.4113.2E189 E190 R197E189-R193 WeakPolarHBondContact O-CB 3.27Å; E189-R193 VanDerWaalsContact O-CG 3.24Å; E189-R193 WeakPolarHBondContact O-CG 3.28Å; E189-R193 PolarHBondContact O-N 3.01Å; E189-R193 PolarHBondContact O-NE 3.41Å; E190-R193 PolarHBondContact O-N 3.12Å; R193-R197 WeakPolarHBondContact O-CG 3.34Å
194V75.2Confident64.4Low20 Ų2083.7 Ų83.712%0.12142%0.421CS..Hα-helixtrans-82.3-37.1-178.9178.20000111.5F156 E190 M191 D192 R197F156-V194 HydrophobicContact CE2-CB 3.61Å; F156-V194 HydrophobicContact CE2-CG1 3.74Å; F156-V194 HydrophobicContact CE2-CG2 3.98Å; F156-V194 HydrophobicContact CZ-CB 3.93Å; F156-V194 HydrophobicContact CZ-CG1 4.36Å; F156-V194 HydrophobicContact CZ-CG2 3.77Å; E190-V194 WeakPolarHBondContact O-CG2 3.39Å; E190-V194 PolarHBondContact O-N 3.48Å; E190-V194 VanDerWaalsContact O-N 3.08Å; M191-V194 PolarHBondContact O-N 3.25Å; D192-V194 VanDerWaalsContact C-N 3.3Å; D192-V194 PolarHBondContact O-N 3.03Å; V194-R197 WeakPolarHBondContact O-CG 3.34Å
195T71.2Confident62Low40 Ų4093 Ų9325%0.24546%0.458CS..Hα-helixtrans-91.5-39.4-17162.60000112.8V142 F156 M191 D192 R197V142-T195 HydrophobicContact CB-CG2 3.62Å; V142-T195 HydrophobicContact CG1-CG2 3.19Å; V142-T195 HydrophobicContact CG2-CG2 4.48Å; F156-T195 HydrophobicContact CD2-CG2 4.19Å; M191-T195 HydrophobicContact CG-CG2 4.28Å; M191-T195 VanDerWaalsContact O-CB 3.26Å; M191-T195 WeakPolarHBondContact O-CB 3.48Å; M191-T195 WeakPolarHBondContact O-CG2 3.32Å; M191-T195 PolarHBondContact O-N 2.95Å; M191-T195 PolarHBondContact O-OG1 3.15Å; D192-T195 PolarHBondContact O-N 2.89Å; T195-R197 PolarHBondContact O-N 2.87Å
196K67Low59.4Low137 Ų13790.8 Ų90.860%0.59647%0.47SS*.SBendtrans-89.323.6175.5-56.8176.1179.6162.30111.9D192 P198D192-K196 HydrophobicContact CB-CD 4.19Å; D192-K196 WeakPolarHBondContact O-CA 3.19Å; D192-K196 VanDerWaalsContact O-CB 3.23Å; D192-K196 WeakPolarHBondContact O-CB 3.46Å; D192-K196 PolarHBondContact O-N 2.81Å; D192-K196 WeakPolarHBondContact OD1-CE 3.41Å; D192-K196 IonicContact OD1-NZ 3.85Å; D192-K196 PolarHBondContact OD1-NZ 2.82Å; D192-K196 IonicContact OD2-NZ 3.79Å; D192-K196 PolarHBondContact OD2-NZ 3.18Å; K196-P198 WeakPolarHBondContact O-CD 3.19Å
197R57.2Low56.9Low135 Ų135102.7 Ų102.751%0.50952%0.515SS..  trans-45.1114.3168.1-84.6-179.2174.3171.60.5106.5R193 V194 T195 M199R193-R197 WeakPolarHBondContact O-CG 3.34Å; V194-R197 WeakPolarHBondContact O-CG 3.34Å; T195-R197 PolarHBondContact O-N 2.87Å; R197-M199 PolarHBondContact O-N 3.37Å
198P40.7Very low54.7Low98 Ų98108.3 Ų108.364%0.63656%0.555SS**  trans-62.8113.4-177.621.1-28.8000106.6K196 V200K196-P198 WeakPolarHBondContact O-CD 3.19Å; P198-V200 HydrophobicContact CB-CB 3.91Å; P198-V200 HydrophobicContact CB-CG2 3.8Å; P198-V200 PolarHBondContact O-N 2.88Å
199M40.2Very low52.3Low173 Ų173109 Ų10985%0.85257%0.574SS**SBendtrans-59.913.6151-88.4-111.7-148.200111.4R197R197-M199 PolarHBondContact O-N 3.37Å
200V37.1Very low50.3Low119 Ų119110.6 Ų110.672%0.72160%0.595SS**  trans-107.363.9-175.2-149.10000107.7P198P198-V200 HydrophobicContact CB-CB 3.91Å; P198-V200 HydrophobicContact CB-CG2 3.8Å; P198-V200 PolarHBondContact O-N 2.88Å
201M35.2Very low48.1Very low163 Ų163112.4 Ų112.480%0.80362%0.623SS**  trans-149.339.8158.9-110.9-82.9-172.200109.4
202M33.7Very low45.8Very low194 Ų194123.1 Ų123.196%0.95666%0.662SS**  trans-103.644.3142.9-141.1-175.4-159.800107.5
203G31.3Very low43.6Very low47 Ų47126.2 Ų126.249%0.48569%0.685SS.*  trans-95.5105.5167.400000106.2Y205G203-Y205 PolarHBondContact O-N 2.8Å
204T39.1Very low41.4Very low97 Ų97120.9 Ų120.960%0.59568%0.678SS**  trans-38.6127.7162.3-11.70000110
205Y33.8Very low39.7Very low210 Ų210126.1 Ų126.182%0.82471%0.712SS**SBendtrans59.5111168.18.2-89.8000118.9G203G203-Y205 PolarHBondContact O-N 2.8Å
206G31.1Very low38.2Very low67 Ų67134.6 Ų134.669%0.69174%0.741SS**  102.5113.7128.700000118.1
207R32.6Very low37.4Very low249 Ų249132.2 Ų132.294%0.9474%0.742SS**  73.398129.5-159.2-176-161.9-137.75.3117
208S35Very low36.8Very low127 Ų127134 Ų13489%0.88876%0.76SS**  160.9135.2111.3-172.40000110.2
209G34.4Very low36.9Very low62 Ų62137.1 Ų137.164%0.63977%0.771SS**SBendtrans129.871.8162.100000115.5
210S38.3Very low37Very low129 Ų129138 Ų13890%0.90277%0.773SS**  trans50.4114142.859.80000118.7
211G32.8Very low37.1Very low72 Ų72137.5 Ų137.574%0.74277%0.774SS**  cis178.916912.200000111.6
212R35.1Very low37.4Very low243 Ų243136 Ų13692%0.91778%0.777SS**  trans80.682.3-177.3-59.4-171.8172.3-149.9-2.1115.8
213P35.6Very low37.7Very low116 Ų116133.9 Ų133.975%0.75377%0.768SS**  trans-63.1134.2154-10.727.2000109.4
214G33.4Very low38.1Very low40 Ų40136.1 Ų136.141%0.41278%0.782SS.*  trans-67.3156.4176.600000112.2Y216 S217G214-Y216 PolarHBondContact O-N 2.86Å; G214-S217 PolarHBondContact O-N 2.85Å; G214-S217 VanDerWaalsContact O-N 3.14Å; G214-S217 PolarHBondContact O-OG 2.82Å
215P39.7Very low37.8Very low131 Ų131139.7 Ų139.785%0.85179%0.792SS**THydrogen-bonded Turntrans-64.73.2-171.623.6-33.1000116.5
216Y39.7Very low38.3Very low218 Ų218135.8 Ų135.886%0.85579%0.792SS**THydrogen-bonded Turntrans-112.32.4176.2-69.3-76.9000114.3G214 L218G214-Y216 PolarHBondContact O-N 2.86Å; Y216-L218 VanDerWaalsContact C-N 3.26Å; Y216-L218 PolarHBondContact O-N 3.34Å
217S48.6Very low38.5Very low86 Ų86135.5 Ų135.560%0.60179%0.789SS**THydrogen-bonded Turntrans-82.215.3-173.6-54.40000115.5G214G214-S217 PolarHBondContact O-N 2.85Å; G214-S217 VanDerWaalsContact O-N 3.14Å; G214-S217 PolarHBondContact O-OG 2.82Å
218L45.4Very low38.7Very low173 Ų173134 Ų13491%0.90679%0.79SS**THydrogen-bonded Turntrans-111.78.7-175.5-71.1179.2000115.5Y216Y216-L218 VanDerWaalsContact C-N 3.26Å; Y216-L218 PolarHBondContact O-N 3.34Å
219L43.5Very low38.6Very low164 Ų164131.7 Ų131.786%0.85979%0.786SS**SBendtrans-113.2-3.3-171.5-151.164.8000116.9
220E41.2Very low38.8Very low192 Ų192140.3 Ų140.390%0.89780%0.799SS**  trans-13079.4178.3-84.7172.1147.100111.1
221S40.2Very low38.5Very low107 Ų107142.7 Ų142.775%0.74880%0.796SS**  trans-116.8114.6156.2-70.70000107.6I223S221-I223 PolarHBondContact O-N 2.89Å; S221-I223 VanDerWaalsContact O-N 3.08Å
222P41.8Very low39Very low131 Ų131145 Ų14585%0.85180%0.798SS**  trans-64.4110.6166.2-11.826.3000107.3A224P222-A224 PolarHBondContact O-N 3.39Å
223I38.5Very low39.1Very low151 Ų151138.8 Ų138.877%0.77479%0.792SS**  trans-67.399.1169.3-62171.6000106S221 E225S221-I223 PolarHBondContact O-N 2.89Å; S221-I223 VanDerWaalsContact O-N 3.08Å; I223-E225 PolarHBondContact O-N 3.06Å
224A40.1Very low39.2Very low93 Ų93144.9 Ų144.977%0.76980%0.8SS**  trans-76.1109.3162.200000107.2P222P222-A224 PolarHBondContact O-N 3.39Å
225E32.8Very low39.3Very low173 Ų173146.7 Ų146.781%0.80882%0.818SS**  trans-60.1133.1-178.8-62.7-162.5141.500112.4I223 G227I223-E225 PolarHBondContact O-N 3.06Å; E225-G227 PolarHBondContact O-N 3.12Å
226P44.1Very low39.2Very low127 Ų127148.9 Ų148.983%0.82581%0.81SS**  trans-81.6106.7153.70.318.2000108F228P226-F228 PolarHBondContact O-N 3.16Å
227G36.3Very low39.3Very low62 Ų62147 Ų14764%0.63980%0.803SS**  trans-70.3117.3171.200000110.8E225E225-G227 PolarHBondContact O-N 3.12Å
228F36.5Very low38.9Very low218 Ų218149.2 Ų149.296%0.95681%0.808SS**  trans-162.6123.2152.9-103.4-76.6000110.3P226P226-F228 PolarHBondContact O-N 3.16Å
229G33.5Very low38.8Very low77 Ų77145.3 Ų145.379%0.79480%0.795SS**  trans94.897.7148.800000117.4
230R38Very low38.6Very low244 Ų244140.5 Ų140.592%0.92179%0.785SS**  trans-76.8145.2152.6-116.8-170.3-166.3-125.14.9109.2
231E31.6Very low38.7Very low178 Ų178138 Ų13883%0.83277%0.774SS**  trans80.3145.5171.3-62.3-164.2139.400117
232P42.9Very low38.9Very low122 Ų122141.9 Ų141.979%0.79277%0.773SS**  cis-132.6165.815.934.3-14000116.7
233S38.2Very low39Very low112 Ų112146.6 Ų146.678%0.78377%0.774SS**  trans-48.4136.6163.1-60.20000115
234R37.6Very low38.9Very low244 Ų244143.3 Ų143.392%0.92178%0.778SS**  149.8124.5123.4-89.2-179.7172.1154.3-1113.2
235G34.9Very low38.9Very low77 Ų77142.4 Ų142.479%0.79478%0.777SS**  trans69.8157152.200000114.8
236Y37.8Very low39.5Very low177 Ų177140.9 Ų140.969%0.69478%0.782SS**  cis-179126.511.9-147.5-171.9000102.3
237Y42.1Very low39.1Very low178 Ų178138.3 Ų138.370%0.69878%0.778SS**  trans45.2161.1155.152.7-135.8000120.1
238D40.7Very low39.2Very low134 Ų134140.7 Ų140.772%0.71779%0.786SS**  cis-169147.721.6-165.217.3000109.5
239S42.5Very low39.3Very low90 Ų90136.4 Ų136.463%0.62977%0.77SS**  trans41.5122.7144.1-63.70000121.5
240G40Very low39.5Very low63 Ų63142.2 Ų142.265%0.64977%0.769SS**  124.6152.367.600000107.3
241H42.5Very low39.4Very low141 Ų141134.9 Ų134.965%0.65376%0.755SS**  cis175.7142.521.5-100.6-1.1000110.2
242Y44.3Very low39.6Very low188 Ų188132.6 Ų132.674%0.73775%0.749SS**  trans65.8150.9142.8-60.5-49.5000123
243R44Very low39.4Very low229 Ų229133.5 Ų133.586%0.86475%0.747SS**  cis173.8139.9-10.7-178.6-174.8-148.1-159.46.8110
244G37.4Very low39.4Very low83 Ų83134.1 Ų134.186%0.85674%0.741SS**  trans83.2140.7147.800000118.1
245G38.6Very low39.4Very low73 Ų73132.4 Ų132.475%0.75374%0.736SS**  cis158.5179.215.300000110.4
246P45.2Very low39.5Very low142 Ų142134.3 Ų134.392%0.92274%0.737SS**  -137.1-178.1-112.840.1-22.9000117.7
247G37.2Very low39.4Very low72 Ų72129.7 Ų129.774%0.74274%0.743SS**  trans142.5101.8159.200000113.5
248S38Very low39Very low113 Ų113124.8 Ų124.879%0.7975%0.747SS**  67.7121.271.3-158.30000114.5
249M37.4Very low38.8Very low128 Ų128124.8 Ų124.863%0.63175%0.754SS**  155137.9109.5-70.7173.7122.600114.8
250Y39.2Very low38.3Very low198 Ų198123.9 Ų123.978%0.77676%0.759SS**  trans79.3146.8155.1-38-66.8000121.1
251S35.4Very low38.2Very low90 Ų90129 Ų12963%0.62977%0.77SS**  cis174.6140.7-27.2-169.50000107.5
252N35.1Very low37.6Very low131 Ų131130.9 Ų130.970%0.70178%0.779SS**  trans56.6140.7155-63.6-12.2000119.5
253D39.8Very low37.1Very low140 Ų140126.9 Ų126.975%0.74978%0.778SS**  -162.1121.671.5-77.4-44.3000109.7
254L36.7Very low36.5Very low125 Ų125121.7 Ų121.765%0.65478%0.777SS**  76.3102.395.5-88.6131.1000115.7
255Y38.3Very low36.4Very low209 Ų209130 Ų13082%0.8278%0.783SS**  158.6128.4114-101.4-85.2000114
256S37.8Very low36.1Very low116 Ų116129 Ų12981%0.81177%0.773SS**  trans62.1107.5152.4-114.70000118.3
257G34.9Very low35.4Very low80 Ų80133.5 Ų133.583%0.82577%0.773SS**  85.397.566.600000108.5
258G33.2Very low35.4Very low75 Ų75139.7 Ų139.777%0.77378%0.775SS**  134.7148.267.200000107.1
259P36.6Very low35.3Very low135 Ų135141 Ų14188%0.87777%0.773SS**  trans-92.6143.9-172.934.9-30.2000112.9
260G33.4Very low35.5Very low71 Ų71142.6 Ų142.673%0.73278%0.779SS**  trans96.3109.5168.600000114.5
261I37.5Very low35.2Very low169 Ų169142 Ų14287%0.86778%0.783SS**  trans-161.5116.7141.8-89143.7000106.2
262E30.3Very low35Very low181 Ų181141.2 Ų141.285%0.84679%0.789SS**  trans-69147.9165.1-152.5168.4-161.600108.9
263S32.4Very low35Very low104 Ų104139.4 Ų139.473%0.72779%0.793SS**  trans101125.7173.1-39.50000117.4
264S33Very low34.7Very low120 Ų120138.9 Ų138.984%0.83979%0.79SS**  trans82.669154.2-53.60000118.8
265R35Very low34.6Very low257 Ų257140 Ų14097%0.9780%0.795SS**  trans-142.3122.5145.9-68.5-173.9178106.1-1.1106.5
266G31.9Very low34.4Very low53 Ų53138.1 Ų138.155%0.54679%0.792SS.*  cis161.599.312.400000101.9Y268G266-Y268 PolarHBondContact O-N 3.47Å
267Y29.7Very low34Very low236 Ų236136 Ų13693%0.92579%0.787SS**  trans-61.2100.7176.8-92.4-101.5000108.3
268Y37Very low33.8Very low202 Ų202144.4 Ų144.479%0.79279%0.794SS**  trans-112.4112.5163.8-72.6-76.7000108.2G266 H270G266-Y268 PolarHBondContact O-N 3.47Å; Y268-H270 PolarHBondContact O-N 3.39Å; Y268-H270 VanDerWaalsContact O-N 3.14Å
269N35.6Very low33.7Very low140 Ų140148.2 Ų148.275%0.74979%0.794SS**  trans-50.6109.2174.6-77.8-43.4000111.2
270H43.2Very low33.8Very low163 Ų163151.4 Ų151.476%0.75580%0.797SS**  trans-95.589.4154.9-71.4-66.2000107.8Y268 G272Y268-H270 PolarHBondContact O-N 3.39Å; Y268-H270 VanDerWaalsContact O-N 3.14Å; H270-G272 PolarHBondContact O-N 3.33Å; H270-G272 VanDerWaalsContact O-N 3.16Å
271Q32.1Very low34.4Very low185 Ų185150.1 Ų150.186%0.86478%0.784SS**  trans-66.5105.9160.4-85.4162.72.400107.7
272G30.6Very low35.1Very low73 Ų73147.3 Ų147.375%0.75376%0.763SS**SBendtrans117.178.2159.600000115.9H270H270-G272 PolarHBondContact O-N 3.33Å; H270-G272 VanDerWaalsContact O-N 3.16Å
273A36.3Very low36.3Very low94 Ų94140.7 Ų140.778%0.77774%0.743SS**SBendtrans173.76.3136.900000114.4
274D33.4Very low37.6Very low128 Ų128142.1 Ų142.168%0.68475%0.747SS**  trans-128.167.2-174.742.8-47000111.9
275I34.8Very low39.3Very low150 Ų150136.7 Ų136.777%0.76971%0.711SS**SBendtrans-92.6-8.6170.8-66.5-177.3000112.9
276F32.7Very low41.7Very low169 Ų169126.6 Ų126.674%0.74167%0.674SS**  trans-134.767.5175.5-71.4-78.6000113.1R278F276-R278 PolarHBondContact O-N 3.4Å
277G29.6Very low44.4Very low70 Ų70124.9 Ų124.972%0.72265%0.653SS**THydrogen-bonded Turntrans-57121.615600000110.2
278R30.7Very low47.3Very low257 Ų257113.7 Ų113.797%0.9761%0.609SS**THydrogen-bonded Turntrans67.245.8162.2-65.6-122.3-105-137.4-6.4118.5F276F276-R278 PolarHBondContact O-N 3.4Å
279M31.2Very low50Low156 Ų156105.4 Ų105.477%0.76858%0.578SS**  trans-121.7128.1166.1-137.5173.2172.700113.2G281M279-G281 PolarHBondContact O-N 3.1Å
280Q38.1Very low52.8Low201 Ų20198.7 Ų98.794%0.93954%0.542SS*.  trans-52.8121.8170.9-76.4164.1-3300110.2
281G47.3Very low55.2Low45 Ų4595.8 Ų95.846%0.46453%0.525SS..  trans-173.5-15.2178.700000117.6M279M279-G281 PolarHBondContact O-N 3.1Å
282W52.9Low58Low109 Ų10987.4 Ų87.441%0.41349%0.488SS..THydrogen-bonded Turntrans-75.7129.4174.1-80.971.8000111.3T287 N313 R315 D329W282-T287 HydrophobicContact CZ3-CG2 4.27Å; W282-N313 HydrophobicContact CZ2-CB 3.78Å; W282-N313 PolarHBondContact NE1-ND2 2.83Å; W282-R315 HydrophobicContact CH2-CB 3.44Å; W282-R315 VanDerWaalsContact CH2-CB 3.44Å; W282-R315 HydrophobicContact CZ2-CB 3.41Å; W282-R315 VanDerWaalsContact CZ2-CB 3.41Å; W282-R315 HydrophobicContact CZ2-CG 4.45Å; W282-D329 HydrophobicContact CH2-CB 3.88Å; W282-D329 HydrophobicContact CZ3-CB 3.89Å
283G54.9Low60.9Low43 Ų4384.1 Ų84.144%0.44345%0.453SS..THydrogen-bonded Turntrans114.69.6167.400000116E331G283-E331 PolarHBondContact N-OE1 3.18Å
284V59.6Low63.5Low133 Ų13380.7 Ų80.781%0.80642%0.423SS*.SBendtrans-93.7-23.4168.6-84.80000112.1E331V284-E331 PolarHBondContact N-OE1 3.15Å
285G69.2Low66.2Low7 Ų782.1 Ų82.17%0.07242%0.42CS..SBendtrans-96.3176.2-179.200000114.7E331 F332G285-E331 PolarHBondContact N-OE1 3.09Å; G285-F332 WeakPolarHBondContact CA-O 3.24Å
286Q84Confident68.8Low45 Ų4584.4 Ų84.421%0.2142%0.424CS..EExtended strand (participates in β ladder)trans-85.3123.4168.7-170.670.251.100108.6F332 A338 I358 K359Q286-F332 PolarHBondContact N-O 2.8Å; Q286-F332 VanDerWaalsContact N-O 3.14Å; Q286-F332 PolarHBondContact O-N 2.97Å; Q286-A338 HydrophobicContact CB-CB 3.73Å; Q286-A338 HydrophobicContact CG-CB 3.57Å; Q286-I358 HydrophobicContact CG-CG2 4.34Å; Q286-I358 VanDerWaalsContact NE2-CG2 3.3Å; Q286-K359 PolarHBondContact NE2-O 3.01Å; Q286-K359 VanDerWaalsContact NE2-O 3.11Å
287T89Confident71.4Confident17 Ų1777.2 Ų77.210%0.10440%0.395CS..EExtended strand (participates in β ladder)trans-95.9133.9-179.9-46.30000111.2W282 D329 V330 K359W282-T287 HydrophobicContact CZ3-CG2 4.27Å; T287-D329 HydrophobicContact CG2-CB 4.04Å; T287-V330 CarbonylContact C-O 3.57Å; T287-V330 WeakPolarHBondContact CA-O 3.29Å; T287-K359 HydrophobicContact CG2-CD 4.41Å; T287-K359 PolarHBondContact O-N 3.36Å
288I92Very high74.2Confident0 Ų077.1 Ų77.10%038%0.381CS..EExtended strand (participates in β ladder)trans-110.2131168-59.7-176.8000108.2V330 F332 A338 A341 M342 L356 F357I288-V330 PolarHBondContact N-O 2.75Å; I288-V330 PolarHBondContact O-N 2.65Å; I288-F332 HydrophobicContact CB-CE2 3.99Å; I288-F332 HydrophobicContact CD1-CD2 3.97Å; I288-F332 HydrophobicContact CD1-CE2 3.48Å; I288-F332 VanDerWaalsContact CD1-CE2 3.48Å; I288-F332 HydrophobicContact CD1-CZ 4.19Å; I288-F332 HydrophobicContact CG1-CD2 4.02Å; I288-F332 HydrophobicContact CG1-CE2 3.75Å; I288-A338 HydrophobicContact CD1-CB 4.05Å; I288-A338 VanDerWaalsContact CD1-O 3.32Å; I288-A338 WeakPolarHBondContact CD1-O 3.28Å; I288-A338 HydrophobicContact CG1-CB 4.3Å; I288-A341 HydrophobicContact CD1-CB 3.82Å; I288-M342 HydrophobicContact CD1-CG 4.13Å; I288-M342 HydrophobicContact CD1-SD 4.09Å; I288-M342 HydrophobicContact CG2-SD 4.31Å; I288-L356 HydrophobicContact CG2-CB 3.93Å; I288-L356 HydrophobicContact CG2-CD2 4.14Å; I288-F357 CarbonylContact C-O 3.58Å; I288-F357 WeakPolarHBondContact CA-O 3.24Å
289H93.5Very high76.9Confident28 Ų2866.5 Ų66.513%0.1335%0.349CS..EExtended strand (participates in β ladder)trans-89.7125.2169.1-175.568.8000109.4E327 A328 D329 F357 K359H289-E327 IonicContact CE1-OE2 2.92Å; H289-E327 IonicContact NE2-OE2 2.63Å; H289-A328 CarbonylContact C-O 3.56Å; H289-A328 WeakPolarHBondContact CA-O 3.22Å; H289-A328 PolarHBondContact ND1-O 3.09Å; H289-D329 IonicContact CE1-OD1 3.72Å; H289-D329 IonicContact CG-OD1 3.63Å; H289-D329 IonicContact ND1-OD1 3.71Å; H289-D329 PolarHBondContact ND1-OD1 2.86Å; H289-F357 HydrophobicContact CB-CB 4.33Å; H289-F357 PolarHBondContact N-O 3.07Å; H289-F357 PolarHBondContact O-N 3.23Å; H289-K359 HydrophobicContact CB-CD 3.96Å; H289-K359 HydrophobicContact CB-CG 4.07Å; H289-K359 PolarHBondContact ND1-NZ 3.46Å
290M93.8Very high79.5Confident0 Ų064.4 Ų64.40%034%0.34CS..EExtended strand (participates in β ladder)trans-99.7138.8174.7-54.7-179.880.200109.9L293 I302 F305 F306 E327 A328 V330 M349 I354 E355 L356M290-L293 HydrophobicContact CB-CD1 4.5Å; M290-L293 HydrophobicContact CE-CD2 3.9Å; M290-L293 HydrophobicContact SD-CD2 4.35Å; M290-I302 HydrophobicContact CE-CG2 4.25Å; M290-I302 HydrophobicContact SD-CD1 4.46Å; M290-I302 HydrophobicContact SD-CG1 4.28Å; M290-I302 HydrophobicContact SD-CG2 3.61Å; M290-F305 HydrophobicContact CE-CD1 3.84Å; M290-F305 HydrophobicContact CE-CE1 4.05Å; M290-F306 HydrophobicContact CE-CD2 4.45Å; M290-F306 HydrophobicContact CE-CE2 3.46Å; M290-F306 VanDerWaalsContact CE-CE2 3.46Å; M290-F306 HydrophobicContact CE-CZ 3.71Å; M290-F306 HydrophobicContact CG-CE2 4.3Å; M290-F306 HydrophobicContact CG-CZ 4.26Å; M290-F306 HydrophobicContact SD-CE2 3.48Å; M290-F306 WeakPolarHBondContact SD-CE2 3.4Å; M290-F306 HydrophobicContact SD-CZ 3.98Å; M290-E327 CarbonylContact O-C 3.49Å; M290-E327 VanDerWaalsContact O-CA 3.23Å; M290-E327 WeakPolarHBondContact O-CA 3.18Å; M290-A328 HydrophobicContact CB-CB 4.46Å; M290-A328 PolarHBondContact N-O 3.42Å; M290-A328 PolarHBondContact O-N 2.78Å; M290-V330 HydrophobicContact CG-CG2 3.95Å; M290-V330 HydrophobicContact SD-CG2 3.44Å; M290-V330 WeakPolarHBondContact SD-CG2 3.43Å; M290-M349 HydrophobicContact CE-CE 4.09Å; M290-I354 HydrophobicContact CB-CG2 4.42Å; M290-I354 HydrophobicContact CE-CG2 3.63Å; M290-E355 CarbonylContact C-O 3.49Å; M290-E355 WeakPolarHBondContact CA-O 3.26Å; M290-L356 HydrophobicContact CB-CD2 4.2Å; M290-L356 HydrophobicContact CE-CD2 4.07Å; M290-L356 HydrophobicContact CG-CD2 3.66Å
291R93.1Very high81.9Confident102 Ų10257.7 Ų57.739%0.38531%0.311SS..EExtended strand (participates in β ladder)trans-129.2149.1171.3-173.3-176.9-178.475.813.4109.8E327 I354 E355 F357R291-E327 HydrophobicContact CG-CG 4.28Å; R291-E327 IonicContact CZ-OE1 2.96Å; R291-E327 IonicContact NH1-OE1 3.52Å; R291-E327 PolarHBondContact NH1-OE1 2.81Å; R291-I354 WeakPolarHBondContact O-CA 3.43Å; R291-E355 HydrophobicContact CB-CB 4.37Å; R291-E355 PolarHBondContact N-O 3.39Å; R291-E355 PolarHBondContact O-N 2.91Å; R291-F357 HydrophobicContact CB-CE2 4.1Å
292G91.7Very high84Confident9 Ų955.6 Ų55.69%0.09329%0.289CS..  trans96.610.9175.300000114.1G326 R352 I354G292-G326 PolarHBondContact N-O 2.93Å; G292-R352 WeakPolarHBondContact O-CB 3.49Å; G292-R352 WeakPolarHBondContact O-CD 3.27Å; G292-R352 PolarHBondContact O-NE 3.09Å; G292-I354 VanDerWaalsContact C-CD1 3.48Å; G292-I354 WeakPolarHBondContact O-CD1 3.45Å
293L91.6Very high85.8Confident4 Ų454.4 Ų54.42%0.02129%0.289CS..  trans-59.7139.4178.4-64.7168.7000111.3M290 Y295 A297 I302 G326 A328 M349 R352 I354M290-L293 HydrophobicContact CB-CD1 4.5Å; M290-L293 HydrophobicContact CE-CD2 3.9Å; M290-L293 HydrophobicContact SD-CD2 4.35Å; L293-Y295 PolarHBondContact O-N 3.16Å; L293-A297 HydrophobicContact CB-CB 4.35Å; L293-I302 HydrophobicContact CD1-CD1 3.87Å; L293-I302 HydrophobicContact CD1-CG1 4.45Å; L293-I302 HydrophobicContact CD2-CD1 4.3Å; L293-I302 HydrophobicContact CD2-CG1 3.98Å; L293-G326 PolarHBondContact N-O 3.14Å; L293-A328 HydrophobicContact CD1-CB 3.41Å; L293-A328 VanDerWaalsContact CD1-CB 3.41Å; L293-M349 HydrophobicContact CD2-CE 3.62Å; L293-M349 HydrophobicContact CD2-SD 3.54Å; L293-M349 VanDerWaalsContact CD2-SD 3.54Å; L293-R352 PolarHBondContact O-NH1 3.2Å; L293-I354 HydrophobicContact CD2-CD1 3.96Å; L293-I354 HydrophobicContact CG-CD1 4.46Å
294P90.2Very high87.4Confident22 Ų2259.3 Ų59.314%0.14330%0.301CS..  trans-50.9138.4165.2-25.933.9000110.6K296 A297 M349 R352P294-K296 PolarHBondContact O-N 3.46Å; P294-A297 HydrophobicContact CB-CB 4.21Å; P294-A297 HydrophobicContact CG-CB 4.49Å; P294-A297 WeakPolarHBondContact O-CB 3.47Å; P294-A297 PolarHBondContact O-N 3.48Å; P294-M349 HydrophobicContact CG-CG 4.48Å; P294-M349 WeakPolarHBondContact CG-O 3.35Å; P294-R352 HydrophobicContact CG-CB 4.44Å; P294-R352 HydrophobicContact CG-CG 4.45Å
295Y90.1Very high89Confident158 Ų15853.9 Ų53.962%0.6227%0.266SS*.THydrogen-bonded Turntrans-65.1-12.3-178.4-60.7-55000113.5L293 A324L293-Y295 PolarHBondContact O-N 3.16Å; Y295-A324 WeakPolarHBondContact CD1-O 3.37Å
296K89.5Confident90.1Very high198 Ų19853.6 Ų53.686%0.86126%0.263SS*.THydrogen-bonded Turntrans-97.2-2.9174.2-61-178.7-179.7178.50113.2P294P294-K296 PolarHBondContact O-N 3.46Å
297A88Confident90.3Very high17 Ų1759.7 Ų59.714%0.1429%0.285CS..  trans-65.7137.4-177.100000111L293 P294 M349L293-A297 HydrophobicContact CB-CB 4.35Å; P294-A297 HydrophobicContact CB-CB 4.21Å; P294-A297 HydrophobicContact CG-CB 4.49Å; P294-A297 WeakPolarHBondContact O-CB 3.47Å; P294-A297 PolarHBondContact O-N 3.48Å; A297-M349 HydrophobicContact CB-SD 4.1Å
298T88.2Confident90.3Very high68 Ų6863.1 Ų63.142%0.41731%0.308SS..  trans-106169.3178.766.50000110.5N300 D301 I302T298-N300 PolarHBondContact O-N 3.22Å; T298-N300 PolarHBondContact OG1-N 2.99Å; T298-D301 WeakPolarHBondContact CB-OD2 3.35Å; T298-D301 PolarHBondContact N-OD2 3.45Å; T298-D301 PolarHBondContact O-N 3.44Å; T298-D301 PolarHBondContact OG1-N 3.37Å; T298-D301 PolarHBondContact OG1-OD2 2.89Å; T298-I302 PolarHBondContact O-N 3.12Å
299A86.4Confident90.2Very high35 Ų3563.9 Ų63.929%0.28931%0.312SS..Hα-helixtrans-59.4-30.2172.900000112I302 M303 V314A299-I302 PolarHBondContact O-N 3.34Å; A299-M303 WeakPolarHBondContact O-CG 3.42Å; A299-M303 PolarHBondContact O-N 3.31Å; A299-V314 HydrophobicContact CB-CB 4.26Å; A299-V314 HydrophobicContact CB-CG1 4.11Å
300N86.3Confident89.7Confident112 Ų11270.8 Ų70.860%0.59934%0.341SS*.Hα-helixtrans-64.8-44.1176.1-110.464.4000112.3T298 I302 M303 E304T298-N300 PolarHBondContact O-N 3.22Å; T298-N300 PolarHBondContact OG1-N 2.99Å; N300-I302 VanDerWaalsContact C-N 3.26Å; N300-I302 PolarHBondContact O-N 3.21Å; N300-M303 HydrophobicContact CB-CE 4.33Å; N300-M303 PolarHBondContact O-N 3.38Å; N300-M303 VanDerWaalsContact O-N 3.12Å; N300-M303 WeakPolarHBondContact OD1-CE 3.47Å; N300-E304 PolarHBondContact O-N 2.9Å
301D89.3Confident89.3Confident60 Ų6072.4 Ų72.432%0.32135%0.349SS..Hα-helixtrans-62.8-36.7177.4-54.3-52.1000111.2T298 E304 F305 M349T298-D301 WeakPolarHBondContact CB-OD2 3.35Å; T298-D301 PolarHBondContact N-OD2 3.45Å; T298-D301 PolarHBondContact O-N 3.44Å; T298-D301 PolarHBondContact OG1-N 3.37Å; T298-D301 PolarHBondContact OG1-OD2 2.89Å; D301-E304 PolarHBondContact O-N 3.06Å; D301-F305 WeakPolarHBondContact O-CB 2.97Å; D301-F305 PolarHBondContact O-N 3.02Å; D301-M349 HydrophobicContact CB-SD 4.31Å
302I91.6Very high88.8Confident0 Ų072 Ų720%035%0.354CS..Hα-helixtrans-66.4-41.8174.4-65.1167.9000111M290 L293 T298 A299 N300 F305 F306 I311 V314 I316 A328 V330 M349M290-I302 HydrophobicContact CE-CG2 4.25Å; M290-I302 HydrophobicContact SD-CD1 4.46Å; M290-I302 HydrophobicContact SD-CG1 4.28Å; M290-I302 HydrophobicContact SD-CG2 3.61Å; L293-I302 HydrophobicContact CD1-CD1 3.87Å; L293-I302 HydrophobicContact CD1-CG1 4.45Å; L293-I302 HydrophobicContact CD2-CD1 4.3Å; L293-I302 HydrophobicContact CD2-CG1 3.98Å; T298-I302 PolarHBondContact O-N 3.12Å; A299-I302 PolarHBondContact O-N 3.34Å; N300-I302 VanDerWaalsContact C-N 3.26Å; N300-I302 PolarHBondContact O-N 3.21Å; I302-F305 PolarHBondContact O-N 3.29Å; I302-F306 HydrophobicContact CG2-CD2 4.01Å; I302-F306 HydrophobicContact CG2-CE2 4.01Å; I302-F306 VanDerWaalsContact O-CD2 3.32Å; I302-F306 WeakPolarHBondContact O-CD2 3.04Å; I302-F306 PolarHBondContact O-N 3.12Å; I302-F306 VanDerWaalsContact O-N 3.16Å; I302-I311 HydrophobicContact CG2-CD1 4.46Å; I302-V314 HydrophobicContact CB-CG1 4.25Å; I302-V314 HydrophobicContact CD1-CG1 3.6Å; I302-V314 HydrophobicContact CG2-CG1 4.06Å; I302-V314 HydrophobicContact CG2-CG2 4.13Å; I302-I316 HydrophobicContact CD1-CD1 4.04Å; I302-I316 HydrophobicContact CD1-CG1 3.82Å; I302-A328 HydrophobicContact CD1-CB 3.91Å; I302-V330 HydrophobicContact CG2-CG2 3.76Å; I302-M349 HydrophobicContact CG1-CE 4.05Å
303M89.8Confident88.1Confident85 Ų8574.4 Ų74.442%0.41937%0.365SS..Hα-helixtrans-63.8-41.5175.9-70.9-175.2-6700112.3A299 N300 F306 Y307 I311 V314A299-M303 WeakPolarHBondContact O-CG 3.42Å; A299-M303 PolarHBondContact O-N 3.31Å; N300-M303 HydrophobicContact CB-CE 4.33Å; N300-M303 PolarHBondContact O-N 3.38Å; N300-M303 VanDerWaalsContact O-N 3.12Å; N300-M303 WeakPolarHBondContact OD1-CE 3.47Å; M303-F306 PolarHBondContact O-N 3.29Å; M303-Y307 PolarHBondContact O-N 3.48Å; M303-I311 HydrophobicContact CB-CD1 4.41Å; M303-I311 HydrophobicContact CG-CD1 4.02Å; M303-V314 HydrophobicContact CG-CG2 4.49Å
304E89.3Confident87.9Confident146 Ų14675.6 Ų75.668%0.68237%0.373SS*.Hα-helixtrans-64.6-42174.8-171.3172.4-176.700111.4N300 D301 F306 Y307N300-E304 PolarHBondContact O-N 2.9Å; D301-E304 PolarHBondContact O-N 3.06Å; E304-F306 VanDerWaalsContact C-N 3.28Å; E304-F306 PolarHBondContact O-N 2.95Å; E304-Y307 VanDerWaalsContact O-CB 3.28Å; E304-Y307 WeakPolarHBondContact O-CB 3.24Å; E304-Y307 PolarHBondContact O-N 2.89Å; E304-Y307 VanDerWaalsContact O-N 3.13Å
305F92.3Very high87.8Confident19 Ų1981.1 Ų81.18%0.08339%0.391CS..Hα-helixtrans-59.6-35.3177178.1-95.6000113M290 D301 I302 K344 Q347 M349 I354M290-F305 HydrophobicContact CE-CD1 3.84Å; M290-F305 HydrophobicContact CE-CE1 4.05Å; D301-F305 WeakPolarHBondContact O-CB 2.97Å; D301-F305 PolarHBondContact O-N 3.02Å; I302-F305 PolarHBondContact O-N 3.29Å; F305-K344 HydrophobicContact CE1-CB 3.94Å; F305-K344 HydrophobicContact CE1-CD 4.44Å; F305-K344 HydrophobicContact CZ-CB 3.97Å; F305-K344 WeakPolarHBondContact O-CD 3.37Å; F305-K344 WeakPolarHBondContact O-CE 3.4Å; F305-K344 PolarHBondContact O-NZ 3.14Å; F305-Q347 HydrophobicContact CE2-CB 3.83Å; F305-Q347 HydrophobicContact CZ-CB 3.96Å; F305-M349 HydrophobicContact CB-CE 3.33Å; F305-M349 HydrophobicContact CD1-CE 4.17Å; F305-M349 HydrophobicContact CD2-CB 4.05Å; F305-M349 HydrophobicContact CD2-CE 4Å; F305-M349 HydrophobicContact CE2-CB 4.44Å; F305-M349 HydrophobicContact CG-CE 3.58Å; F305-I354 HydrophobicContact CE1-CB 4.45Å; F305-I354 HydrophobicContact CE1-CG2 4.23Å; F305-I354 HydrophobicContact CE2-CB 4.36Å; F305-I354 HydrophobicContact CE2-CG1 4.1Å; F305-I354 HydrophobicContact CZ-CB 3.91Å; F305-I354 HydrophobicContact CZ-CG1 4.12Å; F305-I354 HydrophobicContact CZ-CG2 4.19Å
306F92.1Very high87.7Confident0 Ų075.2 Ų75.20%037%0.369CS..Hα-helixtrans-91.8-7.3176.7-72.3-67.5000114.8M290 I302 M303 E304 I309 I311 V330 F332 A341 K344 L356M290-F306 HydrophobicContact CE-CD2 4.45Å; M290-F306 HydrophobicContact CE-CE2 3.46Å; M290-F306 VanDerWaalsContact CE-CE2 3.46Å; M290-F306 HydrophobicContact CE-CZ 3.71Å; M290-F306 HydrophobicContact CG-CE2 4.3Å; M290-F306 HydrophobicContact CG-CZ 4.26Å; M290-F306 HydrophobicContact SD-CE2 3.48Å; M290-F306 WeakPolarHBondContact SD-CE2 3.4Å; M290-F306 HydrophobicContact SD-CZ 3.98Å; I302-F306 HydrophobicContact CG2-CD2 4.01Å; I302-F306 HydrophobicContact CG2-CE2 4.01Å; I302-F306 VanDerWaalsContact O-CD2 3.32Å; I302-F306 WeakPolarHBondContact O-CD2 3.04Å; I302-F306 PolarHBondContact O-N 3.12Å; I302-F306 VanDerWaalsContact O-N 3.16Å; M303-F306 PolarHBondContact O-N 3.29Å; E304-F306 VanDerWaalsContact C-N 3.28Å; E304-F306 PolarHBondContact O-N 2.95Å; F306-I309 VanDerWaalsContact O-CB 3.25Å; F306-I309 WeakPolarHBondContact O-CB 3.46Å; F306-I309 WeakPolarHBondContact O-CG1 3.49Å; F306-I309 PolarHBondContact O-N 2.83Å; F306-I311 HydrophobicContact CB-CD1 3.91Å; F306-I311 HydrophobicContact CB-CG1 4.35Å; F306-I311 HydrophobicContact CD2-CD1 3.77Å; F306-I311 HydrophobicContact CD2-CG1 4.49Å; F306-I311 HydrophobicContact CG-CD1 4.24Å; F306-V330 HydrophobicContact CD2-CG1 4.44Å; F306-V330 HydrophobicContact CE2-CB 4.46Å; F306-V330 HydrophobicContact CE2-CG1 4.23Å; F306-V330 HydrophobicContact CE2-CG2 4.12Å; F306-F332 HydrophobicContact CD1-CE1 4.48Å; F306-F332 HydrophobicContact CD1-CZ 4.01Å; F306-F332 HydrophobicContact CD2-CZ 4.24Å; F306-F332 HydrophobicContact CE1-CZ 4.1Å; F306-F332 HydrophobicContact CE2-CZ 4.27Å; F306-F332 HydrophobicContact CG-CE1 4.43Å; F306-F332 HydrophobicContact CG-CZ 4.08Å; F306-F332 HydrophobicContact CZ-CZ 4.21Å; F306-A341 HydrophobicContact CD1-CB 3.72Å; F306-A341 HydrophobicContact CE1-CB 3.73Å; F306-K344 HydrophobicContact CD1-CD 4.44Å; F306-L356 HydrophobicContact CE1-CD1 3.76Å; F306-L356 HydrophobicContact CE1-CD2 4.32Å; F306-L356 HydrophobicContact CZ-CD1 4.06Å; F306-L356 HydrophobicContact CZ-CD2 3.76Å
307Y88.6Confident87.6Confident173 Ų17367.3 Ų67.368%0.67834%0.336SS*.THydrogen-bonded Turntrans-52.4131.7177.3-174.1-94.5000110.9M303 E304 K344M303-Y307 PolarHBondContact O-N 3.48Å; E304-Y307 VanDerWaalsContact O-CB 3.28Å; E304-Y307 WeakPolarHBondContact O-CB 3.24Å; E304-Y307 PolarHBondContact O-N 2.89Å; E304-Y307 VanDerWaalsContact O-N 3.13Å; Y307-K344 PolarHBondContact O-NZ 3.08Å
308P89Confident87.4Confident89 Ų8972.3 Ų72.358%0.57836%0.355SS*.THydrogen-bonded Turncis-90.17.814.136.5-37.1000116.4
309I89.7Confident87.1Confident17 Ų1772 Ų729%0.08735%0.351CS..SBendtrans-73.4132.7-174.7-52.6171.1000110.4F306 F332 D337 E340 A341F306-I309 VanDerWaalsContact O-CB 3.25Å; F306-I309 WeakPolarHBondContact O-CB 3.46Å; F306-I309 WeakPolarHBondContact O-CG1 3.49Å; F306-I309 PolarHBondContact O-N 2.83Å; I309-F332 HydrophobicContact CB-CE1 4.47Å; I309-F332 HydrophobicContact CG2-CD1 3.73Å; I309-F332 HydrophobicContact CG2-CE1 3.65Å; I309-D337 HydrophobicContact CG2-CB 3.77Å; I309-E340 HydrophobicContact CD1-CB 3.97Å; I309-E340 HydrophobicContact CD1-CG 3.91Å; I309-E340 HydrophobicContact CG1-CG 4.46Å; I309-A341 VanDerWaalsContact CD1-CA 3.46Å; I309-A341 HydrophobicContact CD1-CB 3.83Å; I309-A341 VanDerWaalsContact CD1-N 3.35Å
310K82.2Confident87.1Confident172 Ų17279.8 Ų79.875%0.74838%0.381SS*.PPolyproline II helixtrans-80.7125.3-179.8-68.2-177.4179.81780111.4
311I85.6Confident87Confident34 Ų3484 Ų8417%0.17439%0.389CS..EExtended strand (participates in β ladder)trans-97.7137.7174.6-64160.3000109.5I302 M303 F306 N313 V314 V330 F332I302-I311 HydrophobicContact CG2-CD1 4.46Å; M303-I311 HydrophobicContact CB-CD1 4.41Å; M303-I311 HydrophobicContact CG-CD1 4.02Å; F306-I311 HydrophobicContact CB-CD1 3.91Å; F306-I311 HydrophobicContact CB-CG1 4.35Å; F306-I311 HydrophobicContact CD2-CD1 3.77Å; F306-I311 HydrophobicContact CD2-CG1 4.49Å; F306-I311 HydrophobicContact CG-CD1 4.24Å; I311-N313 VanDerWaalsContact CG2-O 3.28Å; I311-N313 WeakPolarHBondContact CG2-O 3.33Å; I311-V314 HydrophobicContact CD1-CG2 4.36Å; I311-V314 HydrophobicContact CG2-CG2 3.63Å; I311-V330 HydrophobicContact CB-CG1 4.26Å; I311-V330 HydrophobicContact CD1-CG1 3.94Å; I311-V330 HydrophobicContact CG1-CG1 3.74Å; I311-V330 HydrophobicContact CG2-CG1 3.51Å; I311-F332 HydrophobicContact CG1-CD1 4.44Å; I311-F332 HydrophobicContact CG1-CE1 3.87Å; I311-F332 HydrophobicContact CG1-CZ 4.26Å
312L83.2Confident86.6Confident93 Ų9383.8 Ų83.849%0.48740%0.4SS..EExtended strand (participates in β ladder)trans-82-45.9171.5-71.2-178.9000111.9E331 S333L312-E331 HydrophobicContact CB-CB 4.45Å; L312-E331 HydrophobicContact CB-CG 4.41Å; L312-E331 WeakPolarHBondContact CB-O 3.35Å; L312-E331 HydrophobicContact CD1-CG 4.39Å; L312-E331 PolarHBondContact N-O 3Å; L312-S333 VanDerWaalsContact CD1-CA 3.45Å
313N77.7Confident86.1Confident61 Ų6190.7 Ų90.733%0.32643%0.427SS..EExtended strand (participates in β ladder)trans-148.5146.7-175.8-141.8-34.2000112.1W282 I311 V330 E331W282-N313 HydrophobicContact CZ2-CB 3.78Å; W282-N313 PolarHBondContact NE1-ND2 2.83Å; I311-N313 VanDerWaalsContact CG2-O 3.28Å; I311-N313 WeakPolarHBondContact CG2-O 3.33Å; N313-V330 CarbonylContact O-C 3.58Å; N313-V330 WeakPolarHBondContact O-CA 3.03Å; N313-E331 HydrophobicContact CB-CB 4.07Å; N313-E331 PolarHBondContact N-O 3.4Å; N313-E331 PolarHBondContact O-N 2.78Å
314V87.7Confident85.8Confident28 Ų2887.9 Ų87.917%0.1742%0.417CS..EExtended strand (participates in β ladder)trans-128.5127.6175.4-179.80000108.2A299 I302 M303 I311 I316 V330A299-V314 HydrophobicContact CB-CB 4.26Å; A299-V314 HydrophobicContact CB-CG1 4.11Å; I302-V314 HydrophobicContact CB-CG1 4.25Å; I302-V314 HydrophobicContact CD1-CG1 3.6Å; I302-V314 HydrophobicContact CG2-CG1 4.06Å; I302-V314 HydrophobicContact CG2-CG2 4.13Å; M303-V314 HydrophobicContact CG-CG2 4.49Å; I311-V314 HydrophobicContact CD1-CG2 4.36Å; I311-V314 HydrophobicContact CG2-CG2 3.63Å; V314-I316 HydrophobicContact CG1-CG1 4.43Å; V314-V330 HydrophobicContact CG1-CG2 4.49Å; V314-V330 HydrophobicContact CG2-CG1 4.5Å; V314-V330 HydrophobicContact CG2-CG2 4.5Å
315R87.8Confident85.8Confident139 Ų13983.4 Ų83.453%0.52540%0.399SS..EExtended strand (participates in β ladder)trans-127.4103.5175.2179.8177.6-176.7-125.6-1110.3W282 L317 A328 D329W282-R315 HydrophobicContact CH2-CB 3.44Å; W282-R315 VanDerWaalsContact CH2-CB 3.44Å; W282-R315 HydrophobicContact CZ2-CB 3.41Å; W282-R315 VanDerWaalsContact CZ2-CB 3.41Å; W282-R315 HydrophobicContact CZ2-CG 4.45Å; R315-L317 HydrophobicContact CG-CD2 4.38Å; R315-A328 CarbonylContact O-C 3.55Å; R315-A328 WeakPolarHBondContact O-CA 3.09Å; R315-A328 WeakPolarHBondContact O-CB 3.4Å; R315-D329 HydrophobicContact CB-CB 4.5Å; R315-D329 PolarHBondContact N-O 3.27Å; R315-D329 PolarHBondContact O-N 3.14Å
316I87.8Confident85.7Confident33 Ų3382.7 Ų82.717%0.16940%0.397CS..EExtended strand (participates in β ladder)trans-74.1133.9171.1-59.2175.1000108.7I302 V314 F318 A328I302-I316 HydrophobicContact CD1-CD1 4.04Å; I302-I316 HydrophobicContact CD1-CG1 3.82Å; V314-I316 HydrophobicContact CG1-CG1 4.43Å; I316-F318 HydrophobicContact CB-CE2 3.94Å; I316-F318 HydrophobicContact CB-CZ 4.24Å; I316-F318 HydrophobicContact CG2-CE2 3.88Å; I316-F318 HydrophobicContact CG2-CZ 3.88Å; I316-F318 WeakPolarHBondContact O-CD2 3.4Å; I316-F318 WeakPolarHBondContact O-CE2 3.39Å; I316-A328 HydrophobicContact CG1-CB 4.2Å
317L87Confident85.7Confident33 Ų3384.9 Ų84.917%0.17341%0.408CS..EExtended strand (participates in β ladder)trans-89.6136.1179.6-58.7-178.9000110.2R315 T325 E327R315-L317 HydrophobicContact CG-CD2 4.38Å; L317-T325 PolarHBondContact O-N 2.89Å; L317-T325 PolarHBondContact O-OG1 2.77Å; L317-T325 VanDerWaalsContact O-OG1 3.05Å; L317-E327 HydrophobicContact CB-CB 4.29Å; L317-E327 HydrophobicContact CD1-CB 3.96Å; L317-E327 HydrophobicContact CG-CB 4.44Å; L317-E327 PolarHBondContact N-O 3.13Å
318F84.4Confident85.9Confident121 Ų12176.7 Ų76.753%0.53138%0.375SS..EExtended strand (participates in β ladder)trans-121.2145.4178.7-62.9-93000109.8I316 G322 R323 A324I316-F318 HydrophobicContact CB-CE2 3.94Å; I316-F318 HydrophobicContact CB-CZ 4.24Å; I316-F318 HydrophobicContact CG2-CE2 3.88Å; I316-F318 HydrophobicContact CG2-CZ 3.88Å; I316-F318 WeakPolarHBondContact O-CD2 3.4Å; I316-F318 WeakPolarHBondContact O-CE2 3.39Å; F318-G322 WeakPolarHBondContact CD1-O 3.14Å; F318-R323 CarbonylContact C-O 3.57Å; F318-R323 VanDerWaalsContact CA-O 3.28Å; F318-R323 WeakPolarHBondContact CA-O 3.32Å; F318-A324 HydrophobicContact CD1-CB 4.25Å; F318-A324 HydrophobicContact CE1-CB 4.05Å
319D81.8Confident86Confident63 Ų6373 Ų7334%0.33735%0.351SS..  trans-67.2167.4171.5-171.115.2000110.3R321 G322 R323 T325D319-R321 PolarHBondContact O-N 3.17Å; D319-G322 PolarHBondContact O-N 3.16Å; D319-R323 HydrophobicContact CB-CB 4.47Å; D319-R323 PolarHBondContact N-O 3.15Å; D319-R323 IonicContact OD2-CZ 3.93Å; D319-R323 IonicContact OD2-NE 2.9Å; D319-R323 IonicContact OD2-NH2 3.27Å; D319-R323 PolarHBondContact OD2-NH2 2.87Å; D319-T325 HydrophobicContact CB-CG2 4.16Å
320E85.9Confident86.1Confident197 Ų19772.2 Ų72.292%0.92135%0.347SS*.THydrogen-bonded Turntrans-57.5-22.4178.8-64.4179.4170.700112.9G322E320-G322 VanDerWaalsContact C-N 3.33Å
321R83.5Confident86.4Confident202 Ų20264.1 Ų64.176%0.76231%0.312SS*.THydrogen-bonded Turntrans-87.24.4176-57-176.6-177.7-166.9-0.2114D319 R323D319-R321 PolarHBondContact O-N 3.17Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R321-R323 HydrophobicContact CB-CG 4.43Å; R321-R323 PolarHBondContact O-N 3.11Å
322G80.9Confident86.5Confident54 Ų5462.5 Ų62.556%0.55730%0.304SS*.SBendtrans74.816.5-176.600000114.9F318 D319 E320F318-G322 WeakPolarHBondContact CD1-O 3.14Å; D319-G322 PolarHBondContact O-N 3.16Å; E320-G322 VanDerWaalsContact C-N 3.33Å
323R81.3Confident86.6Confident146 Ų14661.8 Ų61.855%0.55131%0.306SS*.  trans-90.5137.3178.4-62.8-177.8-60.5161.15.7110.5F318 D319 R321 T325F318-R323 CarbonylContact C-O 3.57Å; F318-R323 VanDerWaalsContact CA-O 3.28Å; F318-R323 WeakPolarHBondContact CA-O 3.32Å; D319-R323 HydrophobicContact CB-CB 4.47Å; D319-R323 PolarHBondContact N-O 3.15Å; D319-R323 IonicContact OD2-CZ 3.93Å; D319-R323 IonicContact OD2-NE 2.9Å; D319-R323 IonicContact OD2-NH2 3.27Å; D319-R323 PolarHBondContact OD2-NH2 2.87Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R321-R323 HydrophobicContact CB-CG 4.43Å; R321-R323 PolarHBondContact O-N 3.11Å; R323-T325 PolarHBondContact O-N 3.42Å
324A83.8Confident86.9Confident26 Ų2660.8 Ų60.822%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-60.4127.7176.500000110.4Y295 F318 G326Y295-A324 WeakPolarHBondContact CD1-O 3.37Å; F318-A324 HydrophobicContact CD1-CB 4.25Å; F318-A324 HydrophobicContact CE1-CB 4.05Å; A324-G326 VanDerWaalsContact C-N 3.26Å; A324-G326 PolarHBondContact O-N 3.21Å
325T89Confident86.8Confident51 Ų5162.4 Ų62.431%0.31332%0.315SS..EExtended strand (participates in β ladder)trans-80.7-10-178.959.70000112.8L317 D319 R323 E327L317-T325 PolarHBondContact O-N 2.89Å; L317-T325 PolarHBondContact O-OG1 2.77Å; L317-T325 VanDerWaalsContact O-OG1 3.05Å; D319-T325 HydrophobicContact CB-CG2 4.16Å; R323-T325 PolarHBondContact O-N 3.42Å; T325-E327 VanDerWaalsContact C-N 3.32Å; T325-E327 PolarHBondContact OG1-N 2.83Å
326G91Very high86.9Confident4 Ų460.4 Ų60.44%0.04132%0.315CS..EExtended strand (participates in β ladder)trans78.518.1-169.400000113G292 L293 A324G292-G326 PolarHBondContact N-O 2.93Å; L293-G326 PolarHBondContact N-O 3.14Å; A324-G326 VanDerWaalsContact C-N 3.26Å; A324-G326 PolarHBondContact O-N 3.21Å
327E92.6Very high87Confident47 Ų4760.8 Ų60.822%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-122.9147.1177.7-61.4172.3-164.300110.4H289 M290 R291 L317 T325H289-E327 IonicContact CE1-OE2 2.92Å; H289-E327 IonicContact NE2-OE2 2.63Å; M290-E327 CarbonylContact O-C 3.49Å; M290-E327 VanDerWaalsContact O-CA 3.23Å; M290-E327 WeakPolarHBondContact O-CA 3.18Å; R291-E327 HydrophobicContact CG-CG 4.28Å; R291-E327 IonicContact CZ-OE1 2.96Å; R291-E327 IonicContact NH1-OE1 3.52Å; R291-E327 PolarHBondContact NH1-OE1 2.81Å; L317-E327 HydrophobicContact CB-CB 4.29Å; L317-E327 HydrophobicContact CD1-CB 3.96Å; L317-E327 HydrophobicContact CG-CB 4.44Å; L317-E327 PolarHBondContact N-O 3.13Å; T325-E327 VanDerWaalsContact C-N 3.32Å; T325-E327 PolarHBondContact OG1-N 2.83Å
328A92.4Very high87.1Confident0 Ų059.3 Ų59.30%031%0.309CS..EExtended strand (participates in β ladder)trans-146.2156.4172.800000111.5H289 M290 L293 I302 R315 I316H289-A328 CarbonylContact C-O 3.56Å; H289-A328 WeakPolarHBondContact CA-O 3.22Å; H289-A328 PolarHBondContact ND1-O 3.09Å; M290-A328 HydrophobicContact CB-CB 4.46Å; M290-A328 PolarHBondContact N-O 3.42Å; M290-A328 PolarHBondContact O-N 2.78Å; L293-A328 HydrophobicContact CD1-CB 3.41Å; L293-A328 VanDerWaalsContact CD1-CB 3.41Å; I302-A328 HydrophobicContact CD1-CB 3.91Å; R315-A328 CarbonylContact O-C 3.55Å; R315-A328 WeakPolarHBondContact O-CA 3.09Å; R315-A328 WeakPolarHBondContact O-CB 3.4Å; I316-A328 HydrophobicContact CG1-CB 4.2Å
329D91.5Very high87.4Confident13 Ų1360.7 Ų60.77%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-108.8132.2168.4-71.1-27.2000109.3W282 T287 H289 R315 K359W282-D329 HydrophobicContact CH2-CB 3.88Å; W282-D329 HydrophobicContact CZ3-CB 3.89Å; T287-D329 HydrophobicContact CG2-CB 4.04Å; H289-D329 IonicContact CE1-OD1 3.72Å; H289-D329 IonicContact CG-OD1 3.63Å; H289-D329 IonicContact ND1-OD1 3.71Å; H289-D329 PolarHBondContact ND1-OD1 2.86Å; R315-D329 HydrophobicContact CB-CB 4.5Å; R315-D329 PolarHBondContact N-O 3.27Å; R315-D329 PolarHBondContact O-N 3.14Å; D329-K359 IonicContact OD1-NZ 3.84Å; D329-K359 PolarHBondContact OD1-NZ 3.13Å; D329-K359 IonicContact OD2-NZ 3.52Å; D329-K359 PolarHBondContact OD2-NZ 3.28Å
330V91.3Very high87.9Confident0 Ų062.1 Ų62.10%032%0.316CS..EExtended strand (participates in β ladder)trans-123.9123.8-178.1-176.70000109T287 I288 M290 I302 F306 I311 N313 V314 F332T287-V330 CarbonylContact C-O 3.57Å; T287-V330 WeakPolarHBondContact CA-O 3.29Å; I288-V330 PolarHBondContact N-O 2.75Å; I288-V330 PolarHBondContact O-N 2.65Å; M290-V330 HydrophobicContact CG-CG2 3.95Å; M290-V330 HydrophobicContact SD-CG2 3.44Å; M290-V330 WeakPolarHBondContact SD-CG2 3.43Å; I302-V330 HydrophobicContact CG2-CG2 3.76Å; F306-V330 HydrophobicContact CD2-CG1 4.44Å; F306-V330 HydrophobicContact CE2-CB 4.46Å; F306-V330 HydrophobicContact CE2-CG1 4.23Å; F306-V330 HydrophobicContact CE2-CG2 4.12Å; I311-V330 HydrophobicContact CB-CG1 4.26Å; I311-V330 HydrophobicContact CD1-CG1 3.94Å; I311-V330 HydrophobicContact CG1-CG1 3.74Å; I311-V330 HydrophobicContact CG2-CG1 3.51Å; N313-V330 CarbonylContact O-C 3.58Å; N313-V330 WeakPolarHBondContact O-CA 3.03Å; V314-V330 HydrophobicContact CG1-CG2 4.49Å; V314-V330 HydrophobicContact CG2-CG1 4.5Å; V314-V330 HydrophobicContact CG2-CG2 4.5Å; V330-F332 HydrophobicContact CB-CE2 4.05Å; V330-F332 HydrophobicContact CB-CZ 4.48Å; V330-F332 HydrophobicContact CG1-CD2 4.3Å; V330-F332 HydrophobicContact CG1-CE1 4.43Å; V330-F332 HydrophobicContact CG1-CE2 3.57Å; V330-F332 HydrophobicContact CG1-CZ 3.66Å
331E88.6Confident88.2Confident2 Ų252.8 Ų52.81%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-100.9128.4179.8-171.7172.2-165.200110.3G283 V284 G285 L312 N313G283-E331 PolarHBondContact N-OE1 3.18Å; V284-E331 PolarHBondContact N-OE1 3.15Å; G285-E331 PolarHBondContact N-OE1 3.09Å; L312-E331 HydrophobicContact CB-CB 4.45Å; L312-E331 HydrophobicContact CB-CG 4.41Å; L312-E331 WeakPolarHBondContact CB-O 3.35Å; L312-E331 HydrophobicContact CD1-CG 4.39Å; L312-E331 PolarHBondContact N-O 3Å; N313-E331 HydrophobicContact CB-CB 4.07Å; N313-E331 PolarHBondContact N-O 3.4Å; N313-E331 PolarHBondContact O-N 2.78Å
332F88.2Confident88.6Confident0 Ų045.5 Ų45.50%025%0.247CC..EExtended strand (participates in β ladder)trans-107.6146.9177.4-65.1-91.3000110.7G285 Q286 I288 F306 I309 I311 V330 D337 A338 A341G285-F332 WeakPolarHBondContact CA-O 3.24Å; Q286-F332 PolarHBondContact N-O 2.8Å; Q286-F332 VanDerWaalsContact N-O 3.14Å; Q286-F332 PolarHBondContact O-N 2.97Å; I288-F332 HydrophobicContact CB-CE2 3.99Å; I288-F332 HydrophobicContact CD1-CD2 3.97Å; I288-F332 HydrophobicContact CD1-CE2 3.48Å; I288-F332 VanDerWaalsContact CD1-CE2 3.48Å; I288-F332 HydrophobicContact CD1-CZ 4.19Å; I288-F332 HydrophobicContact CG1-CD2 4.02Å; I288-F332 HydrophobicContact CG1-CE2 3.75Å; F306-F332 HydrophobicContact CD1-CE1 4.48Å; F306-F332 HydrophobicContact CD1-CZ 4.01Å; F306-F332 HydrophobicContact CD2-CZ 4.24Å; F306-F332 HydrophobicContact CE1-CZ 4.1Å; F306-F332 HydrophobicContact CE2-CZ 4.27Å; F306-F332 HydrophobicContact CG-CE1 4.43Å; F306-F332 HydrophobicContact CG-CZ 4.08Å; F306-F332 HydrophobicContact CZ-CZ 4.21Å; I309-F332 HydrophobicContact CB-CE1 4.47Å; I309-F332 HydrophobicContact CG2-CD1 3.73Å; I309-F332 HydrophobicContact CG2-CE1 3.65Å; I311-F332 HydrophobicContact CG1-CD1 4.44Å; I311-F332 HydrophobicContact CG1-CE1 3.87Å; I311-F332 HydrophobicContact CG1-CZ 4.26Å; V330-F332 HydrophobicContact CB-CE2 4.05Å; V330-F332 HydrophobicContact CB-CZ 4.48Å; V330-F332 HydrophobicContact CG1-CD2 4.3Å; V330-F332 HydrophobicContact CG1-CE1 4.43Å; V330-F332 HydrophobicContact CG1-CE2 3.57Å; V330-F332 HydrophobicContact CG1-CZ 3.66Å; F332-D337 HydrophobicContact CB-CB 4.25Å; F332-D337 HydrophobicContact CD1-CB 4.19Å; F332-A338 HydrophobicContact CB-CB 4.13Å; F332-A338 HydrophobicContact CD2-CB 4.06Å; F332-A338 HydrophobicContact CG-CB 4.2Å; F332-A341 HydrophobicContact CD1-CB 4.48Å; F332-A341 HydrophobicContact CE1-CB 3.7Å; F332-A341 HydrophobicContact CE2-CB 4.11Å; F332-A341 HydrophobicContact CZ-CB 3.48Å; F332-A341 VanDerWaalsContact CZ-CB 3.48Å
333S84.9Confident89.2Confident78 Ų7848.9 Ų48.955%0.54525%0.253SS..SBendtrans-66.1-38.7-179.1-169.90000112.6L312L312-S333 VanDerWaalsContact CD1-CA 3.45Å
334S82.8Confident89.6Confident39 Ų3943.8 Ų43.827%0.27323%0.234SC..SBendtrans-118.8142.9-178.4178.30000111.4N336 D337 A338S334-N336 PolarHBondContact O-N 3.26Å; S334-N336 WeakPolarHBondContact OG-CB 3.45Å; S334-N336 PolarHBondContact OG-N 3.46Å; S334-N336 VanDerWaalsContact OG-N 3.09Å; S334-D337 PolarHBondContact O-N 3.23Å; S334-A338 PolarHBondContact O-N 2.99Å; S334-A338 VanDerWaalsContact O-N 3.13Å
335P86.5Confident90Very high62 Ų6245.2 Ų45.240%0.40324%0.238SC..Hα-helixtrans-58-25.5166.4-22.332.8000112.8R339P335-R339 WeakPolarHBondContact O-CG 3.25Å; P335-R339 PolarHBondContact O-N 3.18Å; P335-R339 VanDerWaalsContact O-N 3.11Å; P335-R339 PolarHBondContact O-NH1 3.38Å
336N88.9Confident90Very high97 Ų9750.4 Ų50.452%0.51925%0.252SS..Hα-helixtrans-69.1-46.1175.9-156.864.7000111.3S334 A338 R339 E340S334-N336 PolarHBondContact O-N 3.26Å; S334-N336 WeakPolarHBondContact OG-CB 3.45Å; S334-N336 PolarHBondContact OG-N 3.46Å; S334-N336 VanDerWaalsContact OG-N 3.09Å; N336-A338 VanDerWaalsContact C-N 3.29Å; N336-A338 PolarHBondContact O-N 2.97Å; N336-R339 PolarHBondContact O-N 3.2Å; N336-R339 VanDerWaalsContact O-N 3.08Å; N336-E340 PolarHBondContact O-N 2.9Å
337D90.7Very high90.1Very high42 Ų4254.4 Ų54.423%0.22527%0.27CS..Hα-helixtrans-60.6-40.1176.5-59.8-1.3000111I309 F332 S334 E340 A341I309-D337 HydrophobicContact CG2-CB 3.77Å; F332-D337 HydrophobicContact CB-CB 4.25Å; F332-D337 HydrophobicContact CD1-CB 4.19Å; S334-D337 PolarHBondContact O-N 3.23Å; D337-E340 PolarHBondContact O-N 3.45Å; D337-A341 VanDerWaalsContact O-CB 3.29Å; D337-A341 WeakPolarHBondContact O-CB 3.02Å; D337-A341 PolarHBondContact O-N 3.41Å
338A90.2Very high89.9Confident1 Ų158.3 Ų58.31%0.00829%0.288CS..Hα-helixtrans-64-39.9174.200000112.4Q286 I288 F332 S334 N336 A341 M342Q286-A338 HydrophobicContact CB-CB 3.73Å; Q286-A338 HydrophobicContact CG-CB 3.57Å; I288-A338 HydrophobicContact CD1-CB 4.05Å; I288-A338 VanDerWaalsContact CD1-O 3.32Å; I288-A338 WeakPolarHBondContact CD1-O 3.28Å; I288-A338 HydrophobicContact CG1-CB 4.3Å; F332-A338 HydrophobicContact CB-CB 4.13Å; F332-A338 HydrophobicContact CD2-CB 4.06Å; F332-A338 HydrophobicContact CG-CB 4.2Å; S334-A338 PolarHBondContact O-N 2.99Å; S334-A338 VanDerWaalsContact O-N 3.13Å; N336-A338 VanDerWaalsContact C-N 3.29Å; N336-A338 PolarHBondContact O-N 2.97Å; A338-A341 PolarHBondContact O-N 3.3Å; A338-M342 WeakPolarHBondContact O-CG 3.32Å; A338-M342 PolarHBondContact O-N 3.48Å; A338-M342 VanDerWaalsContact O-N 3.07Å
339R90.4Very high89.7Confident151 Ų15159.1 Ų59.157%0.5729%0.292SS*.Hα-helixtrans-66.4-38.8174.3-73.7-171.8-154.389.70.5112.1P335 N336 A341 M342P335-R339 WeakPolarHBondContact O-CG 3.25Å; P335-R339 PolarHBondContact O-N 3.18Å; P335-R339 VanDerWaalsContact O-N 3.11Å; P335-R339 PolarHBondContact O-NH1 3.38Å; N336-R339 PolarHBondContact O-N 3.2Å; N336-R339 VanDerWaalsContact O-N 3.08Å; R339-A341 VanDerWaalsContact C-N 3.31Å; R339-M342 WeakPolarHBondContact O-CB 3.21Å; R339-M342 PolarHBondContact O-N 3.31Å
340E91.8Very high89.5Confident93 Ų9361.9 Ų61.944%0.43532%0.323SS..Hα-helixtrans-65-39.4175.1-165.4-179.4158.900111.1I309 N336 D337 M342 N343I309-E340 HydrophobicContact CD1-CB 3.97Å; I309-E340 HydrophobicContact CD1-CG 3.91Å; I309-E340 HydrophobicContact CG1-CG 4.46Å; N336-E340 PolarHBondContact O-N 2.9Å; D337-E340 PolarHBondContact O-N 3.45Å; E340-M342 VanDerWaalsContact C-N 3.28Å; E340-M342 PolarHBondContact O-N 2.77Å; E340-N343 VanDerWaalsContact O-CB 3.27Å; E340-N343 WeakPolarHBondContact O-CB 3.42Å; E340-N343 PolarHBondContact O-N 2.94Å; E340-N343 VanDerWaalsContact O-N 3.07Å; E340-N343 PolarHBondContact O-ND2 3.45Å
341A92.2Very high89.3Confident0 Ų068.7 Ų68.70%036%0.36CS..Hα-helixtrans-63.1-32.717600000112.6I288 F306 I309 F332 D337 A338 R339 N343 K344 L356I288-A341 HydrophobicContact CD1-CB 3.82Å; F306-A341 HydrophobicContact CD1-CB 3.72Å; F306-A341 HydrophobicContact CE1-CB 3.73Å; I309-A341 VanDerWaalsContact CD1-CA 3.46Å; I309-A341 HydrophobicContact CD1-CB 3.83Å; I309-A341 VanDerWaalsContact CD1-N 3.35Å; F332-A341 HydrophobicContact CD1-CB 4.48Å; F332-A341 HydrophobicContact CE1-CB 3.7Å; F332-A341 HydrophobicContact CE2-CB 4.11Å; F332-A341 HydrophobicContact CZ-CB 3.48Å; F332-A341 VanDerWaalsContact CZ-CB 3.48Å; D337-A341 VanDerWaalsContact O-CB 3.29Å; D337-A341 WeakPolarHBondContact O-CB 3.02Å; D337-A341 PolarHBondContact O-N 3.41Å; A338-A341 PolarHBondContact O-N 3.3Å; R339-A341 VanDerWaalsContact C-N 3.31Å; A341-N343 PolarHBondContact O-N 3.31Å; A341-K344 WeakPolarHBondContact O-CB 3.39Å; A341-K344 PolarHBondContact O-N 3.44Å; A341-L356 VanDerWaalsContact O-CD1 3.22Å; A341-L356 WeakPolarHBondContact O-CD1 3.49Å
342M92.6Very high89.4Confident49 Ų4971.9 Ų71.924%0.24137%0.372CS..Hα-helixtrans-63.2-20.6174.3-71.2-66.2-62.100113.5I288 A338 R339 E340 K344 D345 L356 I358I288-M342 HydrophobicContact CD1-CG 4.13Å; I288-M342 HydrophobicContact CD1-SD 4.09Å; I288-M342 HydrophobicContact CG2-SD 4.31Å; A338-M342 WeakPolarHBondContact O-CG 3.32Å; A338-M342 PolarHBondContact O-N 3.48Å; A338-M342 VanDerWaalsContact O-N 3.07Å; R339-M342 WeakPolarHBondContact O-CB 3.21Å; R339-M342 PolarHBondContact O-N 3.31Å; E340-M342 VanDerWaalsContact C-N 3.28Å; E340-M342 PolarHBondContact O-N 2.77Å; M342-K344 PolarHBondContact O-N 3.33Å; M342-D345 VanDerWaalsContact O-CB 3.26Å; M342-D345 WeakPolarHBondContact O-CB 3.44Å; M342-D345 PolarHBondContact O-N 2.79Å; M342-L356 HydrophobicContact CE-CB 4.34Å; M342-L356 WeakPolarHBondContact CE-O 3.34Å; M342-L356 HydrophobicContact SD-CB 3.75Å; M342-I358 HydrophobicContact CE-CG1 4.14Å; M342-I358 HydrophobicContact CG-CD1 3.9Å; M342-I358 HydrophobicContact CG-CG1 3.77Å; M342-I358 HydrophobicContact SD-CD1 4.34Å; M342-I358 HydrophobicContact SD-CG1 3.6Å; M342-I358 VanDerWaalsContact SD-CG1 3.6Å
343N92.9Very high89.5Confident125 Ų12577.2 Ų77.267%0.66839%0.393SS*.THydrogen-bonded Turntrans-67.2-13.2173.1-62.3-32.2000112.6E340 A341 D345E340-N343 VanDerWaalsContact O-CB 3.27Å; E340-N343 WeakPolarHBondContact O-CB 3.42Å; E340-N343 PolarHBondContact O-N 2.94Å; E340-N343 VanDerWaalsContact O-N 3.07Å; E340-N343 PolarHBondContact O-ND2 3.45Å; A341-N343 PolarHBondContact O-N 3.31Å; N343-D345 VanDerWaalsContact C-N 3.34Å
344K90.2Very high89.9Confident39 Ų3973.5 Ų73.517%0.1737%0.367CS..THydrogen-bonded Turntrans-89.55.5172.1-57.7-160.1-178.1-160.70113.8F305 F306 Y307 A341 M342 R346 Q347 L356F305-K344 HydrophobicContact CE1-CB 3.94Å; F305-K344 HydrophobicContact CE1-CD 4.44Å; F305-K344 HydrophobicContact CZ-CB 3.97Å; F305-K344 WeakPolarHBondContact O-CD 3.37Å; F305-K344 WeakPolarHBondContact O-CE 3.4Å; F305-K344 PolarHBondContact O-NZ 3.14Å; F306-K344 HydrophobicContact CD1-CD 4.44Å; Y307-K344 PolarHBondContact O-NZ 3.08Å; A341-K344 WeakPolarHBondContact O-CB 3.39Å; A341-K344 PolarHBondContact O-N 3.44Å; M342-K344 PolarHBondContact O-N 3.33Å; K344-R346 PolarHBondContact O-N 3.07Å; K344-Q347 HydrophobicContact CB-CG 4.42Å; K344-Q347 WeakPolarHBondContact O-CB 3.25Å; K344-Q347 WeakPolarHBondContact O-CG 3.37Å; K344-Q347 PolarHBondContact O-N 3.11Å; K344-Q347 VanDerWaalsContact O-N 3.14Å; K344-L356 HydrophobicContact CB-CD1 4.31Å
345D91.7Very high90.5Very high56 Ų5673.7 Ų73.730%0.29936%0.363SS..THydrogen-bonded Turntrans-56.3136.4173.7-174.246.7000110.8M342 N343 Q347 E355 L356M342-D345 VanDerWaalsContact O-CB 3.26Å; M342-D345 WeakPolarHBondContact O-CB 3.44Å; M342-D345 PolarHBondContact O-N 2.79Å; N343-D345 VanDerWaalsContact C-N 3.34Å; D345-Q347 PolarHBondContact O-N 3.35Å; D345-E355 WeakPolarHBondContact OD1-CA 3.14Å; D345-L356 HydrophobicContact CB-CB 4.27Å; D345-L356 HydrophobicContact CB-CD1 4.47Å; D345-L356 HydrophobicContact CB-CG 4.45Å; D345-L356 PolarHBondContact OD1-N 2.84Å
346R89.6Confident90.8Very high160 Ų16071 Ų7160%0.60435%0.345SS*.THydrogen-bonded Turntrans64.811.9-176-54.3176.4178.7-175.3-4.1116.1K344 I354K344-R346 PolarHBondContact O-N 3.07Å; R346-I354 WeakPolarHBondContact CA-O 3.27Å; R346-I354 PolarHBondContact N-O 3.31Å
347Q91.9Very high91Very high89 Ų8971 Ų7142%0.41634%0.341SS..  trans-75.4159.9168.3-64.8-169.518.600111.4F305 K344 D345 Y353 I354F305-Q347 HydrophobicContact CE2-CB 3.83Å; F305-Q347 HydrophobicContact CZ-CB 3.96Å; K344-Q347 HydrophobicContact CB-CG 4.42Å; K344-Q347 WeakPolarHBondContact O-CB 3.25Å; K344-Q347 WeakPolarHBondContact O-CG 3.37Å; K344-Q347 PolarHBondContact O-N 3.11Å; K344-Q347 VanDerWaalsContact O-N 3.14Å; D345-Q347 PolarHBondContact O-N 3.35Å; Q347-Y353 CarbonylContact O-C 3.57Å; Q347-Y353 WeakPolarHBondContact O-CA 3.26Å; Q347-I354 PolarHBondContact O-N 3.13Å
348H89.5Confident90.9Very high129 Ų12972.9 Ų72.960%0.59735%0.351SS*.EExtended strand (participates in β ladder)trans-90.8138.6-178.2-67.975.2000111.5R352H348-R352 CarbonylContact C-O 3.55Å; H348-R352 VanDerWaalsContact CA-O 3.27Å; H348-R352 WeakPolarHBondContact CA-O 3.44Å
349M87.7Confident90.5Very high16 Ų1676.9 Ų76.98%0.07937%0.368CS..EExtended strand (participates in β ladder)trans-118.1102.9164.2-177.3-168.8-73.300106.6M290 L293 P294 A297 D301 I302 F305 D351 R352 I354M290-M349 HydrophobicContact CE-CE 4.09Å; L293-M349 HydrophobicContact CD2-CE 3.62Å; L293-M349 HydrophobicContact CD2-SD 3.54Å; L293-M349 VanDerWaalsContact CD2-SD 3.54Å; P294-M349 HydrophobicContact CG-CG 4.48Å; P294-M349 WeakPolarHBondContact CG-O 3.35Å; A297-M349 HydrophobicContact CB-SD 4.1Å; D301-M349 HydrophobicContact CB-SD 4.31Å; I302-M349 HydrophobicContact CG1-CE 4.05Å; F305-M349 HydrophobicContact CB-CE 3.33Å; F305-M349 HydrophobicContact CD1-CE 4.17Å; F305-M349 HydrophobicContact CD2-CB 4.05Å; F305-M349 HydrophobicContact CD2-CE 4Å; F305-M349 HydrophobicContact CE2-CB 4.44Å; F305-M349 HydrophobicContact CG-CE 3.58Å; M349-D351 PolarHBondContact O-N 3.03Å; M349-R352 PolarHBondContact N-O 3.18Å; M349-R352 PolarHBondContact O-N 3.18Å; M349-I354 HydrophobicContact CB-CD1 3.89Å; M349-I354 HydrophobicContact CB-CG1 3.67Å
350G86.6Confident89.2Confident71 Ų7173.8 Ų73.873%0.73237%0.369SS*.THydrogen-bonded Turntrans65.2-125.8-169.400000111.9
351D87.2Confident87.4Confident143 Ų14372.2 Ų72.277%0.76537%0.368SS*.THydrogen-bonded Turntrans-90.45.1-17765.7-34.2000114.1M349M349-D351 PolarHBondContact O-N 3.03Å
352R90.8Very high85.1Confident70 Ų7080.2 Ų80.226%0.26441%0.406SS..EExtended strand (participates in β ladder)trans-125.7140.3-176.2-59.6-177.668.6163.12111.7G292 L293 P294 H348 M349G292-R352 WeakPolarHBondContact O-CB 3.49Å; G292-R352 WeakPolarHBondContact O-CD 3.27Å; G292-R352 PolarHBondContact O-NE 3.09Å; L293-R352 PolarHBondContact O-NH1 3.2Å; P294-R352 HydrophobicContact CG-CB 4.44Å; P294-R352 HydrophobicContact CG-CG 4.45Å; H348-R352 CarbonylContact C-O 3.55Å; H348-R352 VanDerWaalsContact CA-O 3.27Å; H348-R352 WeakPolarHBondContact CA-O 3.44Å; M349-R352 PolarHBondContact N-O 3.18Å; M349-R352 PolarHBondContact O-N 3.18Å
353Y91Very high82.6Confident111 Ų11183 Ų8344%0.43543%0.425SS..EExtended strand (participates in β ladder)trans-79.7144.4167.765.7-90.7000110.2Q347 E355Q347-Y353 CarbonylContact O-C 3.57Å; Q347-Y353 WeakPolarHBondContact O-CA 3.26Å; Y353-E355 HydrophobicContact CD2-CG 4.18Å; Y353-E355 HydrophobicContact CE2-CG 4Å
354I93.7Very high79.7Confident0 Ų082.2 Ų82.20%043%0.425CS..  trans-107.4128.9-176.3-56.9-51.3000109.4M290 R291 G292 L293 F305 R346 Q347 M349 L356M290-I354 HydrophobicContact CB-CG2 4.42Å; M290-I354 HydrophobicContact CE-CG2 3.63Å; R291-I354 WeakPolarHBondContact O-CA 3.43Å; G292-I354 VanDerWaalsContact C-CD1 3.48Å; G292-I354 WeakPolarHBondContact O-CD1 3.45Å; L293-I354 HydrophobicContact CD2-CD1 3.96Å; L293-I354 HydrophobicContact CG-CD1 4.46Å; F305-I354 HydrophobicContact CE1-CB 4.45Å; F305-I354 HydrophobicContact CE1-CG2 4.23Å; F305-I354 HydrophobicContact CE2-CB 4.36Å; F305-I354 HydrophobicContact CE2-CG1 4.1Å; F305-I354 HydrophobicContact CZ-CB 3.91Å; F305-I354 HydrophobicContact CZ-CG1 4.12Å; F305-I354 HydrophobicContact CZ-CG2 4.19Å; R346-I354 WeakPolarHBondContact CA-O 3.27Å; R346-I354 PolarHBondContact N-O 3.31Å; Q347-I354 PolarHBondContact O-N 3.13Å; M349-I354 HydrophobicContact CB-CD1 3.89Å; M349-I354 HydrophobicContact CB-CG1 3.67Å; I354-L356 HydrophobicContact CG2-CD2 3.73Å; I354-L356 HydrophobicContact CG2-CG 4.42Å
355E93.9Very high77Confident43 Ų4386.2 Ų86.220%0.20146%0.455CS..EExtended strand (participates in β ladder)trans-101.1134.1172.7-60176.6107.600109.5M290 R291 D345 Y353 F357M290-E355 CarbonylContact C-O 3.49Å; M290-E355 WeakPolarHBondContact CA-O 3.26Å; R291-E355 HydrophobicContact CB-CB 4.37Å; R291-E355 PolarHBondContact N-O 3.39Å; R291-E355 PolarHBondContact O-N 2.91Å; D345-E355 WeakPolarHBondContact OD1-CA 3.14Å; Y353-E355 HydrophobicContact CD2-CG 4.18Å; Y353-E355 HydrophobicContact CE2-CG 4Å; E355-F357 HydrophobicContact CB-CE2 3.64Å; E355-F357 HydrophobicContact CB-CZ 3.89Å
356L94Very high74.2Confident5 Ų589.3 Ų89.33%0.02648%0.476CS..EExtended strand (participates in β ladder)trans-115.6132-177.4-58-177.2000110.8I288 M290 F306 A341 M342 K344 D345 I354I288-L356 HydrophobicContact CG2-CB 3.93Å; I288-L356 HydrophobicContact CG2-CD2 4.14Å; M290-L356 HydrophobicContact CB-CD2 4.2Å; M290-L356 HydrophobicContact CE-CD2 4.07Å; M290-L356 HydrophobicContact CG-CD2 3.66Å; F306-L356 HydrophobicContact CE1-CD1 3.76Å; F306-L356 HydrophobicContact CE1-CD2 4.32Å; F306-L356 HydrophobicContact CZ-CD1 4.06Å; F306-L356 HydrophobicContact CZ-CD2 3.76Å; A341-L356 VanDerWaalsContact O-CD1 3.22Å; A341-L356 WeakPolarHBondContact O-CD1 3.49Å; M342-L356 HydrophobicContact CE-CB 4.34Å; M342-L356 WeakPolarHBondContact CE-O 3.34Å; M342-L356 HydrophobicContact SD-CB 3.75Å; K344-L356 HydrophobicContact CB-CD1 4.31Å; D345-L356 HydrophobicContact CB-CB 4.27Å; D345-L356 HydrophobicContact CB-CD1 4.47Å; D345-L356 HydrophobicContact CB-CG 4.45Å; D345-L356 PolarHBondContact OD1-N 2.84Å; I354-L356 HydrophobicContact CG2-CD2 3.73Å; I354-L356 HydrophobicContact CG2-CG 4.42Å
357F92.2Very high71.5Confident97 Ų9792.6 Ų92.643%0.42549%0.488SS..EExtended strand (participates in β ladder)trans-129.9121.6179.9-54.1-89.5000110.5I288 H289 R291 E355 K359I288-F357 CarbonylContact C-O 3.58Å; I288-F357 WeakPolarHBondContact CA-O 3.24Å; H289-F357 HydrophobicContact CB-CB 4.33Å; H289-F357 PolarHBondContact N-O 3.07Å; H289-F357 PolarHBondContact O-N 3.23Å; R291-F357 HydrophobicContact CB-CE2 4.1Å; E355-F357 HydrophobicContact CB-CE2 3.64Å; E355-F357 HydrophobicContact CB-CZ 3.89Å; F357-K359 PolarHBondContact O-N 3.31Å
358I87.9Confident68.8Low83 Ų8394 Ų9443%0.42650%0.502SS..EExtended strand (participates in β ladder)trans-67.6118.7173.3-57.8-179.8000109Q286 M342 S360Q286-I358 HydrophobicContact CG-CG2 4.34Å; Q286-I358 VanDerWaalsContact NE2-CG2 3.3Å; M342-I358 HydrophobicContact CE-CG1 4.14Å; M342-I358 HydrophobicContact CG-CD1 3.9Å; M342-I358 HydrophobicContact CG-CG1 3.77Å; M342-I358 HydrophobicContact SD-CD1 4.34Å; M342-I358 HydrophobicContact SD-CG1 3.6Å; M342-I358 VanDerWaalsContact SD-CG1 3.6Å; I358-S360 PolarHBondContact O-N 2.81Å
359K83.2Confident66Low84 Ų8497.1 Ų97.137%0.36551%0.514SS..EExtended strand (participates in β ladder)trans-83.9106.3166.6-78.3178.8166168.60107.9Q286 T287 H289 D329 F357 S361Q286-K359 PolarHBondContact NE2-O 3.01Å; Q286-K359 VanDerWaalsContact NE2-O 3.11Å; T287-K359 HydrophobicContact CG2-CD 4.41Å; T287-K359 PolarHBondContact O-N 3.36Å; H289-K359 HydrophobicContact CB-CD 3.96Å; H289-K359 HydrophobicContact CB-CG 4.07Å; H289-K359 PolarHBondContact ND1-NZ 3.46Å; D329-K359 IonicContact OD1-NZ 3.84Å; D329-K359 PolarHBondContact OD1-NZ 3.13Å; D329-K359 IonicContact OD2-NZ 3.52Å; D329-K359 PolarHBondContact OD2-NZ 3.28Å; F357-K359 PolarHBondContact O-N 3.31Å; K359-S361 PolarHBondContact O-N 3.12Å; K359-S361 VanDerWaalsContact O-N 3.17Å
360S62.2Low63.5Low86 Ų86100 Ų10060%0.60154%0.54SS*.  trans-69.5108.2167.9-174.50000108.2I358 H362I358-S360 PolarHBondContact O-N 2.81Å; S360-H362 PolarHBondContact O-N 2.81Å; S360-H362 VanDerWaalsContact O-N 3.13Å
361S55.3Low61Low60 Ų60105.8 Ų105.842%0.4255%0.545SS..  trans-71.2104.716848.70000107.7K359 V363K359-S361 PolarHBondContact O-N 3.12Å; K359-S361 VanDerWaalsContact O-N 3.17Å; S361-V363 PolarHBondContact O-N 3.29Å
362H42Very low58.6Low169 Ų169107.1 Ų107.178%0.78255%0.552SS**  trans-67.383.5156.5-70.9-73.5000107.1S360 T364S360-H362 PolarHBondContact O-N 2.81Å; S360-H362 VanDerWaalsContact O-N 3.13Å; H362-T364 VanDerWaalsContact C-N 3.26Å; H362-T364 PolarHBondContact O-N 3.34Å
363V41.7Very low56Low106 Ų106111.2 Ų111.264%0.64257%0.571SS**  trans-65.496.1165.3-1790000106S361S361-V363 PolarHBondContact O-N 3.29Å
364T31.5Very low53Low109 Ų109115.4 Ų115.467%0.66959%0.588SS**  trans-65.3125.6161.949.30000106.6H362 V366H362-T364 VanDerWaalsContact C-N 3.26Å; H362-T364 PolarHBondContact O-N 3.34Å; T364-V366 PolarHBondContact O-N 2.83Å
365P34Very low50.3Low124 Ų124120.7 Ų120.781%0.80563%0.625SS**  trans-63.4110.317923.5-31.3000108.9R367P365-R367 PolarHBondContact O-N 3.37Å; P365-R367 VanDerWaalsContact O-N 3.12Å
366V32.8Very low47.7Very low121 Ų121125.1 Ų125.173%0.73365%0.65SS**  trans-69.7108170.5179.90000107.5T364 V368T364-V366 PolarHBondContact O-N 2.83Å; V366-V368 HydrophobicContact CG1-CG2 4.23Å; V366-V368 PolarHBondContact O-N 2.91Å
367R32.5Very low45.2Very low228 Ų228132.7 Ų132.786%0.8669%0.691SS**  trans-73.490.7173.9-162.5176.5-175.6177.52.5109P365 K369P365-R367 PolarHBondContact O-N 3.37Å; P365-R367 VanDerWaalsContact O-N 3.12Å; R367-K369 PolarHBondContact O-N 3.2Å
368V35.2Very low42.7Very low118 Ų118135.8 Ų135.872%0.71571%0.706SS**  trans-71.6109.1172.1-174.70000108.6V366 A370V366-V368 HydrophobicContact CG1-CG2 4.23Å; V366-V368 PolarHBondContact O-N 2.91Å; V368-A370 VanDerWaalsContact C-N 3.28Å; V368-A370 PolarHBondContact O-N 3.24Å
369K30Very low40.7Very low196 Ų196139.5 Ų139.585%0.85272%0.721SS**  trans-74.183.2165.1-78.9-177.3176174.80108.7R367 K371R367-K369 PolarHBondContact O-N 3.2Å; K369-K371 PolarHBondContact O-N 3.15Å
370A36.7Very low38.7Very low76 Ų76141.1 Ų141.163%0.62874%0.744SS**  trans-76.1106.6165.400000108.9V368 L372V368-A370 VanDerWaalsContact C-N 3.28Å; V368-A370 PolarHBondContact O-N 3.24Å; A370-L372 PolarHBondContact O-N 3.02Å; A370-L372 VanDerWaalsContact O-N 3.15Å
371K33.9Very low37.6Very low192 Ų192148.7 Ų148.784%0.83576%0.759SS**  trans-69.596.3161.6-100177.3172.81720107.4K369K369-K371 PolarHBondContact O-N 3.15Å
372L36.5Very low37.1Very low172 Ų172152 Ų15290%0.90178%0.779SS**  trans-85.4121.8159-84.2153000107.6A370A370-L372 PolarHBondContact O-N 3.02Å; A370-L372 VanDerWaalsContact O-N 3.15Å
373K35.9Very low37.1Very low155 Ų155151.9 Ų151.967%0.67478%0.783SS**  trans-114.1132.8-177.8-114.6-173.9177.6-171.40107.9
374Y28.8Very low36.8Very low199 Ų199154.6 Ų154.678%0.7879%0.793SS**  trans68.7139169.3-63.1-78000116.1
375S36.6Very low37.7Very low112 Ų112154.7 Ų154.778%0.78380%0.796SS**  cis-148.5160.733.848.20000112.4
376D38.6Very low37.9Very low136 Ų136160.5 Ų160.573%0.72780%0.802SS**  trans-61124.2-177.5-53.7-62.3000112.4
377N41.5Very low38.2Very low164 Ų164165.6 Ų165.688%0.87781%0.809SS**  trans-170.6143.1134.9-97.7-29.1000110.9
378E40Very low38.5Very low161 Ų161158.1 Ų158.175%0.75280%0.803SS**  trans-67.4165.6-166-58.3-176133.600114.5
379H45.7Very low38.7Very low161 Ų161158.8 Ų158.875%0.74581%0.808SS**  trans80.289.8164.3-54.589.9000117.1
380S40.9Very low39.2Very low119 Ų119154.3 Ų154.383%0.83280%0.801SS**  151.8112.4123.1-67.10000111.5
381R39.1Very low39.5Very low245 Ų245158.2 Ų158.293%0.92581%0.808SS**PPolyproline II helixtrans-88.9134.5169-64.8-178.6179-166.20.4109.6
382P44.4Very low39.9Very low130 Ų130155.8 Ų155.884%0.84480%0.804SS**PPolyproline II helixtrans-94.6141.4156.4-3.322.8000111.2
383L42Very low40.3Very low165 Ų165153 Ų15386%0.86480%0.796SS**PPolyproline II helixtrans-82144.9-177-62.9162.8000111.3
384L37.1Very low40.4Very low164 Ų164153.6 Ų153.686%0.85980%0.804SS**PPolyproline II helixtrans-77.3136.2166.1-72.5169.3000110.1
385P49.3Very low40.9Very low111 Ų111151.3 Ų151.372%0.72180%0.804SS**PPolyproline II helixtrans-77.3124.1171.1-6.923.6000110.7
386R38.4Very low41.1Very low246 Ų246154.9 Ų154.993%0.92881%0.808SS**PPolyproline II helixtrans-93.9126157.2-72.8-172.4179.3-148.21.2107.8
387Y40.2Very low41.2Very low227 Ų227153.2 Ų153.289%0.8981%0.805SS**  trans-108.9123.2162-90-85.4000109.3
388G37.5Very low41.1Very low71 Ų71157.2 Ų157.273%0.73281%0.808SS**  trans-151.3125.1166.400000108.9
389T40.5Very low41.1Very low133 Ų133154.2 Ų154.282%0.81680%0.804SS**  trans-166.6107.8165.917.60000104.9
390S40.4Very low40.4Very low101 Ų101153.8 Ų153.871%0.70681%0.807SS**  79.9140.268.5-168.80000114.2
391M41.6Very low39.9Very low159 Ų159158.7 Ų158.778%0.78381%0.807SS**  trans93.9125173.9-50.3-96.7158.600114.1
392N43.2Very low39.5Very low140 Ų140153.1 Ų153.175%0.74980%0.801SS**  cis-161.3155.9-3.4-92.4-40.3000107.3
393P44.6Very low38.9Very low113 Ų113150.8 Ų150.873%0.73480%0.8SS**  trans-103.7149.9174.536.9-27.7000112.4
394M37.4Very low38.4Very low169 Ų169148.6 Ų148.683%0.83379%0.793SS**  trans178.4136.1148-105.1170.776.500114.2
395L40.7Very low38.2Very low150 Ų150148 Ų14879%0.78579%0.789SS**  trans86.179.2151-62.3161.3000120.8
396E39.8Very low37.5Very low187 Ų187149.3 Ų149.387%0.87479%0.789SS**  28.7163.9112.1-104.8-155.3-170.300124.3
397P41.8Very low37.2Very low101 Ų101147.6 Ų147.666%0.65678%0.784SS**  -128.3156.8-110.639.5-21.8000115.3
398R38.6Very low37.3Very low249 Ų249143 Ų14394%0.9478%0.782SS**  trans-152.8119.6162.2-75.9-162172.3168.8-2.6114.8
399S39.5Very low37Very low97 Ų97142.8 Ų142.868%0.67878%0.78SS**  59.2110.2125.9174.10000121.9
400L31.2Very low36.7Very low152 Ų152144.5 Ų144.580%0.79678%0.783SS**  49.9115127.8-54.8167.8000119.6
401R31.7Very low36.5Very low223 Ų223144.6 Ų144.684%0.84278%0.784SS**  158133.1103.7-85.8-163175.6-174.2-2.2112.1
402T30.5Very low36.2Very low128 Ų128145.4 Ų145.479%0.78579%0.786SS**  trans53.7108.4143.758.90000119.4
403G30.4Very low36.1Very low81 Ų81149 Ų14984%0.83580%0.795SS**  trans-115.8108.7159.200000110.3
404V32.8Very low35.8Very low119 Ų119149 Ų14972%0.72180%0.798SS**  trans-85135.2171.3173.80000108.1I406V404-I406 HydrophobicContact CG1-CD1 4.48Å; V404-I406 HydrophobicContact CG1-CG1 3.83Å
405I32.5Very low36.1Very low150 Ų150145 Ų14577%0.76980%0.799SS**  trans-93.2120.6168.3-62.6175.7000107.5
406I35.1Very low36.3Very low140 Ų140141.9 Ų141.972%0.71880%0.803SS**  trans-111.4126.9176.2-58.3179.1000108.2V404V404-I406 HydrophobicContact CG1-CD1 4.48Å; V404-I406 HydrophobicContact CG1-CG1 3.83Å
407Y31.3Very low36.4Very low210 Ų210136.6 Ų136.682%0.82480%0.799SS**  trans-81128.5165.7-63.5-90.5000109.3
408P42.3Very low36.6Very low130 Ų130137.8 Ų137.884%0.84481%0.807SS**  trans-92.6117.3170.431.3-26.6000110.9
409G30.9Very low37.3Very low67 Ų67131.2 Ų131.269%0.69180%0.796SS**  trans-109.5144.3157.400000110.4
410L34.7Very low37.6Very low169 Ų169134 Ų13489%0.88580%0.804SS**  trans65.6114.8157.1-66.7161.8000119.3
411S35.6Very low38.1Very low103 Ų103133.7 Ų133.772%0.7280%0.798SS**  132.9140.4113.373.20000116.1
412Q35.9Very low38.6Very low176 Ų176132.3 Ų132.382%0.82279%0.794SS**  trans81.4102.9156-45.6-147.817.300118.7
413F40.3Very low39.3Very low216 Ų216134.4 Ų134.495%0.94780%0.795SS**  trans-123.8120.9144.1-110.9-89000109.2
414S39.9Very low40.2Very low113 Ų113135.8 Ų135.879%0.7979%0.791SS**  trans-85.9144.8171.749.30000111.1
415G42.5Very low40.8Very low83 Ų83133.2 Ų133.286%0.85679%0.79SS**  trans147107150.900000117.4
416G45.2Very low41.6Very low85 Ų85135 Ų13588%0.87680%0.8SS**  trans92.8103.1139.700000118.9
417G42.4Very low41.9Very low76 Ų76131.7 Ų131.778%0.78480%0.8SS**  trans-86.1-145.9169.100000113.9
418P46.8Very low42.3Very low127 Ų127128.7 Ų128.783%0.82580%0.804SS**  cis-132.6-152.9-18.946.3-27.3000110.7
419P53Low42.5Very low110 Ų110127.6 Ų127.671%0.71481%0.805SS**  -114.1164.1-119.432.2-11000114.4
420D45.5Very low42.9Very low156 Ų156132.1 Ų132.183%0.83481%0.809SS**  trans-161.9157.6149.6-106.4-26.5000113.5
421Q41.5Very low43.3Very low145 Ų145132 Ų13268%0.67881%0.808SS**  trans-73.3156.2-156.3-63.1155.4-1.100114.9
422Y42.2Very low43.6Very low195 Ų195131.9 Ų131.977%0.76580%0.803SS**  164.5130.2110.4-96.2-82.2000111.5
423H45.4Very low43.9Very low172 Ų172132.4 Ų132.480%0.79681%0.808SS**  trans22.8143.4145.4-90-20.7000120.7
424S48.6Very low44.2Very low109 Ų109125.9 Ų125.976%0.76280%0.801SS**  cis-178159.119.939.20000108.9
425G46.1Very low44.3Very low66 Ų66123.8 Ų123.868%0.6880%0.797SS**  trans128.296.2140.900000120
426L49.1Very low44.7Very low187 Ų187128.9 Ų128.998%0.97980%0.798SS**  trans63.7130.4134.7-50.8170.8000118.6
427G41.3Very low44.6Very low70 Ų70131.6 Ų131.672%0.72279%0.791SS**  cis168.7136.83.500000109.4
428T39.1Very low44.8Very low148 Ų148138.6 Ų138.691%0.90880%0.796SS**  trans-143.1127165.344.20000108.1
429A47.8Very low44.7Very low106 Ų106140.4 Ų140.488%0.87679%0.793SS**  trans-96136.9179.200000111.5
430E39.2Very low44.2Very low163 Ų163140.4 Ų140.476%0.76280%0.796SS**  trans-69.3166167.4-67.5176.1103.600113
431L42.7Very low44.7Very low167 Ų167138.8 Ų138.887%0.87479%0.794SS**  -176102115.2-96149.6000112.8
432T41.9Very low45Very low99 Ų99141.8 Ų141.861%0.60783%0.828SS**  trans11.1144.1131.517.90000125.1
433M40.7Very low45.2Very low188 Ų188139.1 Ų139.193%0.92683%0.832SS**  101.8132.7129.5-70.2-101.1-11000122.8
434G47.9Very low45.2Very low79 Ų79137.4 Ų137.481%0.81483%0.833SS**  trans107116.3158.300000113.7
435G41.8Very low45Very low68 Ų68138.9 Ų138.970%0.70184%0.837SS**  cis103.1101.426.700000109.6
436H50.9Low44.9Very low191 Ų191143.2 Ų143.288%0.88485%0.847SS**  trans176136.3134.6-101.8-75.6000113.6
437I43Very low44.7Very low142 Ų142140.5 Ų140.573%0.72884%0.838SS**  trans-77.6145.6177.3-64.1152.9000110.1
438Y47.4Very low44.9Very low222 Ų222145.2 Ų145.287%0.87185%0.846SS**  trans-154.4144.6136.8-107.9-77.6000113.1
439Q44.4Very low45.3Very low165 Ų165145 Ų14577%0.77184%0.842SS**  trans-70.7153.2-165.2-70.9160.3-26.300116.3
440S41.6Very low45.1Very low111 Ų111148 Ų14878%0.77684%0.839SS**  trans-79.1160.7147.9-28.50000109.3
441P56.4Low45.6Very low121 Ų121146.8 Ų146.879%0.78685%0.845SS**  -150.1166.851.938-16.4000117.2
442C48.6Very low45.9Very low208 Ų208144.9 Ų144.9100%1.40584%0.843SS**  trans-144.30142.2-90.20000107.5

Retrieved 442 of 442 residues in 383 ms (Link to these results)

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