A0A3Q0KBC3_SCHMA Loading...

mannose-1-phosphate guanylyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KBC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 362 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
1M94.9Very high88.3Confident29 Ų2929.6 Ų29.614%0.14318%0.18CC..  0144.40-176.4174.151.600107.5V44 I46 T47 E104 R105 F107 L123M1-V44 HydrophobicContact CE-CB 4.21Å; M1-V44 HydrophobicContact CE-CG2 4.32Å; M1-I46 HydrophobicContact CB-CD1 4.21Å; M1-I46 HydrophobicContact CE-CD1 3.78Å; M1-I46 HydrophobicContact CE-CG1 4.31Å; M1-I46 HydrophobicContact CG-CD1 3.81Å; M1-I46 WeakPolarHBondContact O-CA 3.31Å; M1-I46 HydrophobicContact SD-CD1 4.36Å; M1-T47 PolarHBondContact O-N 2.92Å; M1-T47 PolarHBondContact O-OG1 3.5Å; M1-E104 WeakPolarHBondContact CA-OE2 3.39Å; M1-E104 PolarHBondContact N-OE2 2.99Å; M1-R105 WeakPolarHBondContact CG-O 3.39Å; M1-F107 HydrophobicContact CE-CD2 4.49Å; M1-F107 HydrophobicContact CE-CE2 3.73Å; M1-F107 HydrophobicContact SD-CD2 4.15Å; M1-F107 HydrophobicContact SD-CE2 3.58Å; M1-F107 VanDerWaalsContact SD-CE2 3.58Å; M1-F107 HydrophobicContact SD-CZ 4.42Å; M1-L123 HydrophobicContact CE-CD2 3.98Å; M1-L123 HydrophobicContact SD-CD1 3.96Å; M1-L123 HydrophobicContact SD-CD2 4.15Å
2K97.3Very high88.5Confident27 Ų2733.5 Ų33.512%0.11720%0.204CC..EExtended strand (participates in β ladder)trans-119.3171.1-175.7-52.8-168.8-179-158.60112.3I46 E48 I50 F100 L101 R105 F106 F107K2-I46 VanDerWaalsContact O-CD1 3.32Å; K2-I46 WeakPolarHBondContact O-CD1 3.48Å; K2-E48 CarbonylContact C-O 3.56Å; K2-E48 VanDerWaalsContact CA-O 3.31Å; K2-E48 WeakPolarHBondContact CA-O 3.41Å; K2-E48 HydrophobicContact CD-CB 4.12Å; K2-E48 HydrophobicContact CG-CB 4.12Å; K2-E48 IonicContact NZ-OE2 3.28Å; K2-E48 PolarHBondContact NZ-OE2 3.41Å; K2-I50 HydrophobicContact CB-CD1 4.02Å; K2-I50 HydrophobicContact CD-CD1 4.16Å; K2-F100 WeakPolarHBondContact CD-O 3.21Å; K2-F100 WeakPolarHBondContact CE-O 3.37Å; K2-F100 PolarHBondContact NZ-O 2.91Å; K2-L101 HydrophobicContact CB-CD2 4.5Å; K2-R105 PolarHBondContact N-O 2.84Å; K2-R105 VanDerWaalsContact N-O 3.11Å; K2-F106 HydrophobicContact CB-CB 4.01Å; K2-F106 CarbonylContact O-C 3.52Å; K2-F106 WeakPolarHBondContact O-CA 3.49Å; K2-F106 WeakPolarHBondContact O-CB 3.3Å; K2-F107 PolarHBondContact O-N 2.57Å
3A97.8Very high88.8Confident0 Ų042.3 Ų42.30%023%0.231CC..EExtended strand (participates in β ladder)trans-136.4144.7169.100000110.6L41 I46 E48 I49 I50 F107A3-L41 HydrophobicContact CB-CD1 3.51Å; A3-L41 HydrophobicContact CB-CD2 3.71Å; A3-L41 HydrophobicContact CB-CG 4.23Å; A3-I46 HydrophobicContact CB-CD1 4.23Å; A3-E48 PolarHBondContact N-O 2.77Å; A3-I49 HydrophobicContact CB-CG1 4.46Å; A3-I49 CarbonylContact O-C 3.57Å; A3-I49 WeakPolarHBondContact O-CA 3.33Å; A3-I50 VanDerWaalsContact O-CD1 3.28Å; A3-I50 WeakPolarHBondContact O-CD1 3.38Å; A3-I50 PolarHBondContact O-N 3.41Å; A3-F107 CarbonylContact C-O 3.55Å; A3-F107 WeakPolarHBondContact CA-O 3.2Å; A3-F107 HydrophobicContact CB-CB 4.13Å
4L96.9Very high89.3Confident0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-115.8122.8171.7-17671.6000108.4L6 I50 A52 L94 A97 L101 F107 V108 L109L4-L6 HydrophobicContact CD2-CD2 3.77Å; L4-L6 HydrophobicContact CG-CD2 4.09Å; L4-I50 CarbonylContact C-O 3.52Å; L4-I50 VanDerWaalsContact CA-O 3.32Å; L4-I50 WeakPolarHBondContact CA-O 3.14Å; L4-I50 HydrophobicContact CD1-CB 3.67Å; L4-I50 HydrophobicContact CD1-CG2 3.52Å; L4-A52 HydrophobicContact CD1-CB 3.91Å; L4-A52 HydrophobicContact CG-CB 4.43Å; L4-L94 HydrophobicContact CD2-CD1 3.52Å; L4-L94 HydrophobicContact CD2-CG 3.77Å; L4-A97 HydrophobicContact CD1-CB 3.65Å; L4-A97 HydrophobicContact CD2-CB 4.35Å; L4-L101 HydrophobicContact CB-CD2 4.5Å; L4-L101 HydrophobicContact CD2-CD1 4.09Å; L4-F107 PolarHBondContact N-O 2.97Å; L4-V108 HydrophobicContact CB-CG2 4.23Å; L4-V108 HydrophobicContact CD2-CG1 4.39Å; L4-V108 HydrophobicContact CD2-CG2 4.36Å; L4-V108 CarbonylContact O-C 3.37Å; L4-V108 VanDerWaalsContact O-CA 3.29Å; L4-V108 WeakPolarHBondContact O-CA 3.46Å; L4-L109 PolarHBondContact O-N 2.76Å
5I95.6Very high89.7Confident0 Ų043.6 Ų43.60%023%0.227CC..EExtended strand (participates in β ladder)trans-105.5120.2172.5-56.2177.4000108.1I7 L34 Q37 I38 L41 I49 I50 L51 A52 L109I5-I7 HydrophobicContact CG2-CG1 4.07Å; I5-I7 PolarHBondContact O-N 3.09Å; I5-L34 HydrophobicContact CD1-CD1 3.69Å; I5-L34 HydrophobicContact CG2-CD1 3.86Å; I5-Q37 HydrophobicContact CD1-CB 4.39Å; I5-I38 HydrophobicContact CD1-CG1 3.97Å; I5-L41 HydrophobicContact CD1-CD1 4.14Å; I5-L41 HydrophobicContact CG1-CD1 4.45Å; I5-I49 HydrophobicContact CD1-CG2 3.94Å; I5-I49 HydrophobicContact CG1-CG2 4.28Å; I5-I50 PolarHBondContact N-O 2.86Å; I5-L51 HydrophobicContact CB-CD2 3.94Å; I5-L51 HydrophobicContact CD1-CD2 3.94Å; I5-L51 HydrophobicContact CG1-CD2 4.25Å; I5-A52 PolarHBondContact O-N 3.03Å; I5-L109 HydrophobicContact CD1-CD1 4.36Å; I5-L109 HydrophobicContact CG1-CB 4.39Å; I5-L109 HydrophobicContact CG1-CD1 3.83Å
6L92.8Very high90.1Very high25 Ų2541 Ų4113%0.13121%0.213CC..EExtended strand (participates in β ladder)trans-80.3105.2178.9-55.8-178.2000109.4L4 A52 P93 L94 V108 L109 S111L4-L6 HydrophobicContact CD2-CD2 3.77Å; L4-L6 HydrophobicContact CG-CD2 4.09Å; L6-A52 HydrophobicContact CD2-CB 4.19Å; L6-P93 HydrophobicContact CD2-CB 3.71Å; L6-P93 HydrophobicContact CD2-CG 3.92Å; L6-L94 HydrophobicContact CD1-CD1 4.48Å; L6-L94 HydrophobicContact CD2-CD1 3.79Å; L6-V108 HydrophobicContact CD1-CG1 3.86Å; L6-V108 HydrophobicContact CD2-CG1 4.27Å; L6-V108 HydrophobicContact CG-CG1 3.95Å; L6-L109 WeakPolarHBondContact CB-O 3.48Å; L6-L109 PolarHBondContact N-O 3.13Å; L6-S111 WeakPolarHBondContact O-CB 3.4Å; L6-S111 PolarHBondContact O-N 2.92Å; L6-S111 VanDerWaalsContact O-N 3.17Å; L6-S111 PolarHBondContact O-OG 3.4Å
7I88.9Confident90.5Very high4 Ų438.6 Ų38.62%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-106.395.7179.4-63.7177.4000108.3I5 P24 L34 L51 A52 N54 A57I5-I7 HydrophobicContact CG2-CG1 4.07Å; I5-I7 PolarHBondContact O-N 3.09Å; I7-P24 HydrophobicContact CB-CG 4.39Å; I7-P24 HydrophobicContact CG1-CG 4.17Å; I7-P24 HydrophobicContact CG2-CG 3.67Å; I7-L34 HydrophobicContact CD1-CD1 4.19Å; I7-L34 HydrophobicContact CD1-CD2 4.17Å; I7-L51 HydrophobicContact CD1-CB 4.07Å; I7-L51 HydrophobicContact CD1-CD1 4.4Å; I7-L51 HydrophobicContact CD1-CD2 4.14Å; I7-L51 HydrophobicContact CD1-CG 4.43Å; I7-A52 CarbonylContact C-O 3.53Å; I7-A52 WeakPolarHBondContact CA-O 3.48Å; I7-A52 WeakPolarHBondContact CB-O 3.38Å; I7-A52 PolarHBondContact N-O 2.85Å; I7-A52 VanDerWaalsContact O-O 3.11Å; I7-N54 PolarHBondContact O-N 2.68Å; I7-A57 HydrophobicContact CG2-CB 3.93Å
8G76.8Confident90.6Very high44 Ų4437.3 Ų37.345%0.45420%0.195SC..  trans-130.1152.6-175.700000114.4
9G70.2Confident90.7Very high41 Ų4139.3 Ų39.342%0.42321%0.205SC..SBendtrans78.6156164.400000115.4G11 N54G9-G11 PolarHBondContact O-N 3.2Å; G9-N54 PolarHBondContact N-ND2 3.15Å
10Y73.4Confident90.7Very high143 Ų14339 Ų3956%0.56121%0.206SC*.  trans-67.1-2.6175.4-66.4-71.1000114.5T12 E56Y10-T12 PolarHBondContact O-N 2.81Å; Y10-E56 HydrophobicContact CD1-CB 4.2Å; Y10-E56 HydrophobicContact CD1-CG 4.02Å; Y10-E56 HydrophobicContact CD2-CG 4.17Å; Y10-E56 HydrophobicContact CE1-CB 3.85Å; Y10-E56 HydrophobicContact CE1-CG 3.43Å; Y10-E56 VanDerWaalsContact CE1-CG 3.43Å; Y10-E56 HydrophobicContact CE2-CG 3.6Å; Y10-E56 HydrophobicContact CG-CG 4.36Å; Y10-E56 WeakPolarHBondContact OH-CG 3.35Å
11G87Confident90.5Very high13 Ų1339.2 Ų39.213%0.13421%0.208CC..  trans52.941.3-172.700000112.6G9 R13 L14 T18G9-G11 PolarHBondContact O-N 3.2Å; G11-R13 PolarHBondContact O-N 2.85Å; G11-L14 PolarHBondContact O-N 3.07Å; G11-T18 PolarHBondContact O-OG1 3.43Å
12T89.9Confident90.1Very high76 Ų7638.6 Ų38.647%0.46621%0.206SC..G310 helixtrans-56.8-35.4-169.554.90000113.6Y10 L14 R15Y10-T12 PolarHBondContact O-N 2.81Å; T12-L14 VanDerWaalsContact C-N 3.27Å; T12-L14 PolarHBondContact O-N 2.78Å; T12-R15 VanDerWaalsContact O-CB 3.3Å; T12-R15 WeakPolarHBondContact O-CB 3.43Å; T12-R15 WeakPolarHBondContact O-CD 3.29Å; T12-R15 WeakPolarHBondContact O-CG 3.44Å; T12-R15 PolarHBondContact O-N 3.3Å
13R93.4Very high89.7Confident148 Ų14837.9 Ų37.956%0.55820%0.202SC*.G310 helixtrans-71.5-19.6178.1-67.1-175.3-71.2150.2-0.4113.5G11 R15 G222 Q223 P224G11-R13 PolarHBondContact O-N 2.85Å; R13-R15 VanDerWaalsContact C-N 3.35Å; R13-G222 CarbonylContact C-O 3.5Å; R13-G222 WeakPolarHBondContact CB-O 3.48Å; R13-Q223 HydrophobicContact CB-CB 4.31Å; R13-Q223 WeakPolarHBondContact O-CA 3.38Å; R13-Q223 WeakPolarHBondContact O-CB 3.28Å; R13-P224 VanDerWaalsContact O-CD 3.3Å; R13-P224 WeakPolarHBondContact O-CD 3.34Å
14L95.4Very high89.3Confident0 Ų038 Ų380%020%0.204CC..G310 helixtrans-92.75.2176.2-167.261.5000112.5G11 T12 L17 T18 K23 V26 I221 G222 P224G11-L14 PolarHBondContact O-N 3.07Å; T12-L14 VanDerWaalsContact C-N 3.27Å; T12-L14 PolarHBondContact O-N 2.78Å; L14-L17 HydrophobicContact CD1-CD1 4.32Å; L14-L17 HydrophobicContact CG-CD1 4.4Å; L14-L17 WeakPolarHBondContact O-CB 3.3Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-T18 HydrophobicContact CB-CG2 3.8Å; L14-T18 HydrophobicContact CD2-CG2 3.98Å; L14-T18 HydrophobicContact CG-CG2 4.07Å; L14-K23 HydrophobicContact CD2-CG 3.93Å; L14-V26 HydrophobicContact CD2-CB 4.45Å; L14-V26 HydrophobicContact CD2-CG1 4.43Å; L14-V26 HydrophobicContact CD2-CG2 4.09Å; L14-I221 HydrophobicContact CD1-CG2 4.43Å; L14-I221 HydrophobicContact CD2-CG2 4.38Å; L14-G222 PolarHBondContact N-O 3.19Å; L14-P224 HydrophobicContact CD1-CG 4.44Å
15R95.5Very high89Confident104 Ų10438.8 Ų38.839%0.39221%0.207SC..THydrogen-bonded Turntrans-60.5148171.7-70.3178.4178.7170.4-2.3110.2T12 R13 T18 L19T12-R15 VanDerWaalsContact O-CB 3.3Å; T12-R15 WeakPolarHBondContact O-CB 3.43Å; T12-R15 WeakPolarHBondContact O-CD 3.29Å; T12-R15 WeakPolarHBondContact O-CG 3.44Å; T12-R15 PolarHBondContact O-N 3.3Å; R13-R15 VanDerWaalsContact C-N 3.35Å; R15-T18 WeakPolarHBondContact CG-OG1 3.39Å; R15-T18 PolarHBondContact N-OG1 3.21Å; R15-L19 HydrophobicContact CG-CD2 4.28Å; R15-L19 HydrophobicContact CG-CG 4.04Å
16P96.4Very high88.9Confident2 Ų238.8 Ų38.81%0.01321%0.207CC..THydrogen-bonded Turncis-82.9-6.910.733.9-38.5000115.5T18 L19 V327 V345P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.06Å; P16-L19 HydrophobicContact CB-CD1 4.24Å; P16-L19 WeakPolarHBondContact O-CB 3.27Å; P16-L19 PolarHBondContact O-N 3.31Å; P16-V327 HydrophobicContact CG-CB 4.19Å; P16-V327 HydrophobicContact CG-CG1 3.68Å; P16-V345 WeakPolarHBondContact CB-O 3.16Å; P16-V345 WeakPolarHBondContact CG-O 3.5Å
17L96.1Very high88.9Confident0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-58.9-39.8-174.6-55.8176.9000112.3L14 L19 S20 I21 V26 F294 I309 W312 V327L14-L17 HydrophobicContact CD1-CD1 4.32Å; L14-L17 HydrophobicContact CG-CD1 4.4Å; L14-L17 WeakPolarHBondContact O-CB 3.3Å; L14-L17 PolarHBondContact O-N 3.3Å; L17-L19 PolarHBondContact O-N 3.19Å; L17-S20 PolarHBondContact O-N 3.12Å; L17-I21 PolarHBondContact O-N 3.32Å; L17-V26 HydrophobicContact CB-CG2 4.43Å; L17-V26 HydrophobicContact CD1-CG1 4.12Å; L17-F294 HydrophobicContact CD1-CE2 4.15Å; L17-F294 HydrophobicContact CD1-CZ 4.29Å; L17-F294 HydrophobicContact CD2-CD2 4.43Å; L17-F294 HydrophobicContact CD2-CE2 3.89Å; L17-I309 HydrophobicContact CD1-CD1 4.15Å; L17-I309 HydrophobicContact CD1-CG2 4.08Å; L17-I309 HydrophobicContact CD2-CG2 3.95Å; L17-W312 HydrophobicContact CB-CH2 4.43Å; L17-W312 HydrophobicContact CB-CZ3 4.39Å; L17-W312 HydrophobicContact CD2-CZ3 4.28Å; L17-V327 HydrophobicContact CD2-CG1 3.78Å; L17-V327 HydrophobicContact CG-CG1 3.97Å
18T93.2Very high89.3Confident15 Ų1538.9 Ų38.99%0.09221%0.207CC..Hα-helixtrans-78.60.7-178.252.50000114.9G11 L14 R15 P16 I21 K23 V26G11-T18 PolarHBondContact O-OG1 3.43Å; L14-T18 HydrophobicContact CB-CG2 3.8Å; L14-T18 HydrophobicContact CD2-CG2 3.98Å; L14-T18 HydrophobicContact CG-CG2 4.07Å; R15-T18 WeakPolarHBondContact CG-OG1 3.39Å; R15-T18 PolarHBondContact N-OG1 3.21Å; P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.06Å; T18-I21 CarbonylContact C-O 3.45Å; T18-I21 WeakPolarHBondContact CA-O 3.41Å; T18-K23 HydrophobicContact CG2-CB 4.09Å; T18-V26 HydrophobicContact CG2-CG2 4.11Å
19L92.6Very high90.2Very high75 Ų7537 Ų3739%0.39319%0.187SC..Hα-helixtrans-77.7-26.6167.6-65.9170.9000111.7R15 P16 L17 L346 P347R15-L19 HydrophobicContact CG-CD2 4.28Å; R15-L19 HydrophobicContact CG-CG 4.04Å; P16-L19 HydrophobicContact CB-CD1 4.24Å; P16-L19 WeakPolarHBondContact O-CB 3.27Å; P16-L19 PolarHBondContact O-N 3.31Å; L17-L19 PolarHBondContact O-N 3.19Å; L19-L346 HydrophobicContact CD1-CB 4.42Å; L19-L346 HydrophobicContact CD1-CD2 3.89Å; L19-L346 HydrophobicContact CD1-CG 3.64Å; L19-P347 HydrophobicContact CB-CG 3.93Å; L19-P347 HydrophobicContact CD1-CG 4.47Å
20S89.7Confident91.4Very high33 Ų3336.3 Ų36.323%0.23117%0.174CC..Hα-helixtrans-90.5-46.1-179.2-630000112.3L17 E330L17-S20 PolarHBondContact O-N 3.12Å; S20-E330 WeakPolarHBondContact CB-OE2 3.47Å; S20-E330 WeakPolarHBondContact OG-CB 3.45Å; S20-E330 PolarHBondContact OG-OE2 3.36Å
21I87.6Confident92.3Very high45 Ų4533.5 Ų33.523%0.23117%0.165CC..SBendtrans-140.8155.9-176.867.5174.8000110.6L17 T18 L25 V26 W312L17-I21 PolarHBondContact O-N 3.32Å; T18-I21 CarbonylContact C-O 3.45Å; T18-I21 WeakPolarHBondContact CA-O 3.41Å; I21-L25 HydrophobicContact CD1-CB 4.26Å; I21-L25 VanDerWaalsContact CD1-O 3.23Å; I21-L25 WeakPolarHBondContact CD1-O 3.5Å; I21-V26 HydrophobicContact CG1-CG2 4.17Å; I21-W312 HydrophobicContact CD1-CH2 3.37Å; I21-W312 HydrophobicContact CD1-CZ2 3.22Å; I21-W312 HydrophobicContact CD1-CZ3 4.25Å; I21-W312 HydrophobicContact CG1-CH2 3.55Å; I21-W312 HydrophobicContact CG1-CZ2 3.97Å; I21-W312 HydrophobicContact CG1-CZ3 4.13Å
22P85.2Confident92.6Very high16 Ų1634.1 Ų34.110%0.10417%0.166CC..  trans-71.2155.6-176.331-31.2000110.9P24 L25 V26 L60P22-P24 VanDerWaalsContact C-CD 3.47Å; P22-L25 HydrophobicContact CG-CB 4.01Å; P22-L25 HydrophobicContact CG-CD1 3.76Å; P22-L25 HydrophobicContact CG-CG 3.85Å; P22-L25 WeakPolarHBondContact O-CA 3.25Å; P22-L25 PolarHBondContact O-N 3.22Å; P22-V26 PolarHBondContact O-N 2.84Å; P22-L60 HydrophobicContact CB-CD1 3.62Å; P22-L60 HydrophobicContact CG-CB 4.12Å; P22-L60 HydrophobicContact CG-CD1 3.47Å; P22-L60 VanDerWaalsContact CG-CD1 3.47Å; P22-L60 HydrophobicContact CG-CG 4.23Å
23K89.9Confident92.8Very high11 Ų1130.5 Ų30.55%0.04814%0.144CC..G310 helixtrans-47.6-48.1-175.1-172.2-179.9-173-174.60114.2L14 T18 L25 V26 D112 I221L14-K23 HydrophobicContact CD2-CG 3.93Å; T18-K23 HydrophobicContact CG2-CB 4.09Å; K23-L25 PolarHBondContact O-N 2.88Å; K23-V26 WeakPolarHBondContact O-CB 3.12Å; K23-V26 WeakPolarHBondContact O-CG2 3.47Å; K23-V26 PolarHBondContact O-N 2.89Å; K23-V26 VanDerWaalsContact O-N 3.16Å; K23-D112 HydrophobicContact CD-CB 3.96Å; K23-D112 IonicContact NZ-OD2 3.15Å; K23-D112 PolarHBondContact NZ-OD2 2.94Å; K23-I221 WeakPolarHBondContact CE-O 3.34Å; K23-I221 PolarHBondContact NZ-O 3.45Å
24P89.1Confident92.8Very high4 Ų423.5 Ų23.53%0.02612%0.118CC..G310 helixtrans-67.5-19.5-178.9-16.629.9000114.1I7 P22 M33 L34I7-P24 HydrophobicContact CB-CG 4.39Å; I7-P24 HydrophobicContact CG1-CG 4.17Å; I7-P24 HydrophobicContact CG2-CG 3.67Å; P22-P24 VanDerWaalsContact C-CD 3.47Å; P24-M33 PolarHBondContact O-N 2.7Å; P24-L34 HydrophobicContact CB-CB 4.03Å; P24-L34 WeakPolarHBondContact O-CB 3.31Å; P24-L34 PolarHBondContact O-N 2.9Å
25L89.7Confident92.7Very high15 Ų1524.6 Ų24.68%0.07912%0.124CC..G310 helixtrans-92.5-8.7178.4-64.4-172.6000113.5I21 P22 K23 E27 P32 I64I21-L25 HydrophobicContact CD1-CB 4.26Å; I21-L25 VanDerWaalsContact CD1-O 3.23Å; I21-L25 WeakPolarHBondContact CD1-O 3.5Å; P22-L25 HydrophobicContact CG-CB 4.01Å; P22-L25 HydrophobicContact CG-CD1 3.76Å; P22-L25 HydrophobicContact CG-CG 3.85Å; P22-L25 WeakPolarHBondContact O-CA 3.25Å; P22-L25 PolarHBondContact O-N 3.22Å; K23-L25 PolarHBondContact O-N 2.88Å; L25-E27 PolarHBondContact O-N 3.09Å; L25-P32 HydrophobicContact CD2-CB 4.24Å; L25-I64 HydrophobicContact CD1-CG1 3.79Å; L25-I64 HydrophobicContact CD2-CG1 4.15Å; L25-I64 HydrophobicContact CG-CG1 4.08Å
26V93.1Very high92.7Very high0 Ų020.6 Ų20.60%011%0.109CC..SBendtrans-53.9126.1172.3178.60000109.2L14 L17 T18 I21 P22 K23 F28 M33 Y227 F294 W312L14-V26 HydrophobicContact CD2-CB 4.45Å; L14-V26 HydrophobicContact CD2-CG1 4.43Å; L14-V26 HydrophobicContact CD2-CG2 4.09Å; L17-V26 HydrophobicContact CB-CG2 4.43Å; L17-V26 HydrophobicContact CD1-CG1 4.12Å; T18-V26 HydrophobicContact CG2-CG2 4.11Å; I21-V26 HydrophobicContact CG1-CG2 4.17Å; P22-V26 PolarHBondContact O-N 2.84Å; K23-V26 WeakPolarHBondContact O-CB 3.12Å; K23-V26 WeakPolarHBondContact O-CG2 3.47Å; K23-V26 PolarHBondContact O-N 2.89Å; K23-V26 VanDerWaalsContact O-N 3.16Å; V26-F28 PolarHBondContact O-N 2.97Å; V26-M33 HydrophobicContact CB-SD 4.46Å; V26-M33 WeakPolarHBondContact O-CG 3.48Å; V26-M33 PolarHBondContact O-N 3.31Å; V26-M33 VanDerWaalsContact O-N 3.07Å; V26-Y227 HydrophobicContact CG1-CE2 4.1Å; V26-F294 HydrophobicContact CG1-CE2 4.18Å; V26-F294 HydrophobicContact CG1-CZ 4.18Å; V26-W312 HydrophobicContact CG1-CH2 4.47Å
27E93.9Very high92.6Very high31 Ų3120.5 Ų20.515%0.14511%0.109CC..EExtended strand (participates in β ladder)trans-64124.2178.1-73.1176.1-15400108.9L25 K31 Y227 F294 S295 W312L25-E27 PolarHBondContact O-N 3.09Å; E27-K31 CarbonylContact C-O 3.5Å; E27-Y227 VanDerWaalsContact O-CE2 3.24Å; E27-Y227 WeakPolarHBondContact O-CE2 3.46Å; E27-Y227 VanDerWaalsContact O-CZ 3.3Å; E27-Y227 PolarHBondContact O-OH 3.17Å; E27-F294 HydrophobicContact CB-CE1 4.49Å; E27-F294 VanDerWaalsContact O-CZ 3.32Å; E27-F294 WeakPolarHBondContact O-CZ 3.46Å; E27-S295 PolarHBondContact OE1-OG 2.78Å; E27-S295 PolarHBondContact OE2-OG 3.41Å; E27-S295 VanDerWaalsContact OE2-OG 3.1Å; E27-W312 HydrophobicContact CB-CZ2 4.49Å; E27-W312 VanDerWaalsContact CD-NE1 3.32Å; E27-W312 HydrophobicContact CG-CZ2 4.41Å; E27-W312 PolarHBondContact OE1-NE1 3.27Å
28F96.6Very high92.6Very high0 Ų020.5 Ų20.50%011%0.109CC..EExtended strand (participates in β ladder)trans-120.9116.1170.8-175.2-84.2000108V26 N30 K31 M33 H36 I114 I221 Y227 G230 M231 Y234V26-F28 PolarHBondContact O-N 2.97Å; F28-N30 VanDerWaalsContact C-N 3.33Å; F28-N30 PolarHBondContact O-N 3.2Å; F28-K31 CarbonylContact C-O 3.59Å; F28-K31 PolarHBondContact N-O 3.28Å; F28-K31 PolarHBondContact O-N 2.77Å; F28-M33 HydrophobicContact CB-CG 3.64Å; F28-M33 HydrophobicContact CG-CG 4.46Å; F28-H36 PolarHBondContact O-NE2 2.96Å; F28-I114 HydrophobicContact CD1-CD1 4.34Å; F28-I114 HydrophobicContact CD1-CG1 4.29Å; F28-I114 HydrophobicContact CD1-CG2 3.96Å; F28-I114 HydrophobicContact CD2-CG1 4.3Å; F28-I114 HydrophobicContact CE1-CB 4.43Å; F28-I114 HydrophobicContact CE1-CG1 4.44Å; F28-I114 HydrophobicContact CE1-CG2 3.41Å; F28-I114 VanDerWaalsContact CE1-CG2 3.41Å; F28-I114 HydrophobicContact CE2-CG1 4.43Å; F28-I114 HydrophobicContact CE2-CG2 4.3Å; F28-I114 HydrophobicContact CG-CD1 4.43Å; F28-I114 HydrophobicContact CG-CG1 4.21Å; F28-I114 HydrophobicContact CZ-CB 4.31Å; F28-I114 HydrophobicContact CZ-CG1 4.47Å; F28-I114 HydrophobicContact CZ-CG2 3.57Å; F28-I221 HydrophobicContact CD2-CD1 4.33Å; F28-I221 HydrophobicContact CE2-CD1 3.82Å; F28-I221 HydrophobicContact CE2-CG1 4.5Å; F28-Y227 WeakPolarHBondContact CA-OH 3.5Å; F28-Y227 HydrophobicContact CB-CE2 4.27Å; F28-Y227 HydrophobicContact CD2-CD2 4.07Å; F28-Y227 AromaticContact CD2-CE2 3.73Å; F28-Y227 HydrophobicContact CD2-CE2 3.73Å; F28-Y227 HydrophobicContact CG-CE2 4.45Å; F28-G230 VanDerWaalsContact CZ-C 3.41Å; F28-G230 WeakPolarHBondContact CZ-O 3.42Å; F28-M231 HydrophobicContact CE2-CB 4.21Å; F28-M231 HydrophobicContact CZ-CB 4.31Å; F28-Y234 AromaticContact CE1-CD1 3.91Å; F28-Y234 HydrophobicContact CE1-CD1 3.91Å; F28-Y234 HydrophobicContact CE1-CD2 4.25Å; F28-Y234 AromaticContact CE1-CG 3.66Å; F28-Y234 HydrophobicContact CE1-CG 3.66Å; F28-Y234 HydrophobicContact CZ-CG 4.4Å
29A96.1Very high92.6Very high4 Ų425.2 Ų25.23%0.03313%0.128CC..THydrogen-bonded Turntrans49.252.7-173.400000113K31 Y234 L257 T275A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 3.06Å; A29-Y234 HydrophobicContact CB-CD1 3.56Å; A29-Y234 HydrophobicContact CB-CE1 3.34Å; A29-L257 HydrophobicContact CB-CD1 4.32Å; A29-T275 HydrophobicContact CB-CG2 4.12Å
30N95.2Very high92.7Very high28 Ų2822.1 Ų22.115%0.1511%0.113CC..THydrogen-bonded Turntrans65.813.4177-59.2-5.1000116.4F28 L257 I276 G277F28-N30 VanDerWaalsContact C-N 3.33Å; F28-N30 PolarHBondContact O-N 3.2Å; N30-L257 HydrophobicContact CB-CD2 4.07Å; N30-L257 WeakPolarHBondContact ND2-CD2 3.37Å; N30-I276 PolarHBondContact ND2-O 3.43Å; N30-G277 WeakPolarHBondContact OD1-CA 3.43Å; N30-G277 PolarHBondContact OD1-N 3.01Å
31K93.5Very high93Very high84 Ų8420.6 Ų20.637%0.36510%0.102SC..EExtended strand (participates in β ladder)trans-136.9145172.3-65.5178.7-176.81750110.4E27 F28 A29 M33E27-K31 CarbonylContact C-O 3.5Å; F28-K31 CarbonylContact C-O 3.59Å; F28-K31 PolarHBondContact N-O 3.28Å; F28-K31 PolarHBondContact O-N 2.77Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 3.06Å; K31-M33 PolarHBondContact O-N 2.86Å
32P92.9Very high93.3Very high26 Ų2620.9 Ų20.917%0.16910%0.104CC..EExtended strand (participates in β ladder)trans-51.6137.8171.9-23.530.4000111.8L25 L34 L35 H36L25-P32 HydrophobicContact CD2-CB 4.24Å; P32-L34 PolarHBondContact O-N 3.05Å; P32-L35 HydrophobicContact CB-CD1 4.47Å; P32-L35 HydrophobicContact CB-CG 4.04Å; P32-L35 HydrophobicContact CG-CD1 3.97Å; P32-L35 HydrophobicContact CG-CG 4.09Å; P32-L35 PolarHBondContact O-N 2.73Å; P32-H36 PolarHBondContact O-CD2 3.45Å
33M94Very high93.7Very high0 Ų027.2 Ų27.20%013%0.132CC..Hα-helixtrans-49.4-44.2179.1-73173.158.500112.4P24 V26 F28 K31 L35 H36 D112 I114 I221P24-M33 PolarHBondContact O-N 2.7Å; V26-M33 HydrophobicContact CB-SD 4.46Å; V26-M33 WeakPolarHBondContact O-CG 3.48Å; V26-M33 PolarHBondContact O-N 3.31Å; V26-M33 VanDerWaalsContact O-N 3.07Å; F28-M33 HydrophobicContact CB-CG 3.64Å; F28-M33 HydrophobicContact CG-CG 4.46Å; K31-M33 PolarHBondContact O-N 2.86Å; M33-L35 VanDerWaalsContact C-N 3.26Å; M33-L35 PolarHBondContact O-N 2.78Å; M33-H36 WeakPolarHBondContact O-CB 3.38Å; M33-H36 PolarHBondContact O-N 3.19Å; M33-H36 VanDerWaalsContact O-N 3.12Å; M33-D112 HydrophobicContact CE-CB 4.35Å; M33-D112 WeakPolarHBondContact CE-O 3.25Å; M33-I114 HydrophobicContact CB-CD1 4.06Å; M33-I114 HydrophobicContact CE-CD1 4.43Å; M33-I114 HydrophobicContact CE-CG1 4.06Å; M33-I114 HydrophobicContact CG-CD1 4.03Å; M33-I114 HydrophobicContact CG-CG1 4.29Å; M33-I221 HydrophobicContact CE-CB 3.6Å; M33-I221 HydrophobicContact CE-CG1 3.77Å; M33-I221 HydrophobicContact CE-CG2 4.09Å; M33-I221 HydrophobicContact SD-CB 4.17Å; M33-I221 HydrophobicContact SD-CG1 4.45Å; M33-I221 HydrophobicContact SD-CG2 3.97Å
34L93.1Very high93.9Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-55.6-37.9177.7-178.262.4000113I5 I7 P24 P32 H36 Q37 I38 L51 I64I5-L34 HydrophobicContact CD1-CD1 3.69Å; I5-L34 HydrophobicContact CG2-CD1 3.86Å; I7-L34 HydrophobicContact CD1-CD1 4.19Å; I7-L34 HydrophobicContact CD1-CD2 4.17Å; P24-L34 HydrophobicContact CB-CB 4.03Å; P24-L34 WeakPolarHBondContact O-CB 3.31Å; P24-L34 PolarHBondContact O-N 2.9Å; P32-L34 PolarHBondContact O-N 3.05Å; L34-H36 VanDerWaalsContact C-N 3.3Å; L34-H36 PolarHBondContact O-N 3Å; L34-Q37 PolarHBondContact O-N 3.42Å; L34-I38 HydrophobicContact CD1-CD1 4.28Å; L34-I38 HydrophobicContact CD1-CG1 4.45Å; L34-I38 HydrophobicContact CD2-CD1 4.39Å; L34-I38 HydrophobicContact CG-CD1 3.91Å; L34-I38 HydrophobicContact CG-CG1 4.44Å; L34-I38 WeakPolarHBondContact O-CG1 3.32Å; L34-I38 PolarHBondContact O-N 3.44Å; L34-L51 HydrophobicContact CD1-CD2 4.26Å; L34-L51 HydrophobicContact CD2-CD1 4.46Å; L34-I64 HydrophobicContact CD2-CG2 3.9Å
35L93.2Very high94.1Very high24 Ų2434.3 Ų34.313%0.12617%0.171CC..Hα-helixtrans-71.9-25.2-177.8-60.3-167.4000112.7P32 M33 Q37 I38 K39 V71P32-L35 HydrophobicContact CB-CD1 4.47Å; P32-L35 HydrophobicContact CB-CG 4.04Å; P32-L35 HydrophobicContact CG-CD1 3.97Å; P32-L35 HydrophobicContact CG-CG 4.09Å; P32-L35 PolarHBondContact O-N 2.73Å; M33-L35 VanDerWaalsContact C-N 3.26Å; M33-L35 PolarHBondContact O-N 2.78Å; L35-Q37 VanDerWaalsContact C-N 3.34Å; L35-I38 HydrophobicContact CD2-CD1 4.34Å; L35-K39 WeakPolarHBondContact O-CB 3.42Å; L35-K39 PolarHBondContact O-N 3.41Å; L35-V71 HydrophobicContact CB-CG2 4.38Å; L35-V71 HydrophobicContact CD1-CG2 3.76Å; L35-V71 HydrophobicContact CD2-CG2 3.79Å; L35-V71 HydrophobicContact CG-CG2 4.16Å
36H95Very high94.3Very high20 Ų2034 Ų349%0.09317%0.17CC..Hα-helixtrans-65-41.7171.5-67.7-87.9000111F28 P32 M33 L34 A40 I114 Y117 Y234F28-H36 PolarHBondContact O-NE2 2.96Å; P32-H36 PolarHBondContact O-CD2 3.45Å; M33-H36 WeakPolarHBondContact O-CB 3.38Å; M33-H36 PolarHBondContact O-N 3.19Å; M33-H36 VanDerWaalsContact O-N 3.12Å; L34-H36 VanDerWaalsContact C-N 3.3Å; L34-H36 PolarHBondContact O-N 3Å; H36-A40 PolarHBondContact O-N 3.41Å; H36-A40 VanDerWaalsContact O-N 3.11Å; H36-I114 HydrophobicContact CB-CD1 4.29Å; H36-Y117 HydrophobicContact CB-CE2 4.16Å; H36-Y234 AromaticContact CE1-CZ 3.96Å
37Q95.8Very high94.4Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-68.3-48.1178.3-65.4175.627.300111.7I5 L34 L35 K39 A40 L41 N110 S111 I113 Y117I5-Q37 HydrophobicContact CD1-CB 4.39Å; L34-Q37 PolarHBondContact O-N 3.42Å; L35-Q37 VanDerWaalsContact C-N 3.34Å; Q37-K39 VanDerWaalsContact C-N 3.33Å; Q37-K39 PolarHBondContact O-N 2.65Å; Q37-A40 PolarHBondContact O-N 3.09Å; Q37-L41 WeakPolarHBondContact O-CG 3.3Å; Q37-L41 PolarHBondContact O-N 3.09Å; Q37-N110 PolarHBondContact NE2-O 3.2Å; Q37-S111 VanDerWaalsContact NE2-C 3.29Å; Q37-S111 PolarHBondContact NE2-O 3.37Å; Q37-I113 PolarHBondContact NE2-O 3.42Å; Q37-I113 VanDerWaalsContact NE2-O 3.1Å; Q37-Y117 HydrophobicContact CB-CE1 4.44Å; Q37-Y117 HydrophobicContact CG-CE1 3.62Å; Q37-Y117 WeakPolarHBondContact CG-OH 3.23Å
38I95.2Very high94.5Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-59.4-46.9177.9-68.5174.7000110I5 L34 L35 A40 L41 L42 I49 C68 V71 V72I5-I38 HydrophobicContact CD1-CG1 3.97Å; L34-I38 HydrophobicContact CD1-CD1 4.28Å; L34-I38 HydrophobicContact CD1-CG1 4.45Å; L34-I38 HydrophobicContact CD2-CD1 4.39Å; L34-I38 HydrophobicContact CG-CD1 3.91Å; L34-I38 HydrophobicContact CG-CG1 4.44Å; L34-I38 WeakPolarHBondContact O-CG1 3.32Å; L34-I38 PolarHBondContact O-N 3.44Å; L35-I38 HydrophobicContact CD2-CD1 4.34Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.04Å; I38-L41 WeakPolarHBondContact O-CB 3.47Å; I38-L41 PolarHBondContact O-N 2.8Å; I38-L41 VanDerWaalsContact O-N 3.12Å; I38-L42 HydrophobicContact CG2-CD1 4.37Å; I38-L42 HydrophobicContact CG2-CG 4.47Å; I38-L42 WeakPolarHBondContact O-CG 3.28Å; I38-L42 PolarHBondContact O-N 2.94Å; I38-I49 HydrophobicContact CB-CD1 4.47Å; I38-I49 HydrophobicContact CG1-CD1 4.31Å; I38-I49 HydrophobicContact CG2-CD1 3.92Å; I38-C68 HydrophobicContact CD1-CB 4.22Å; I38-C68 WeakPolarHBondContact CD1-SG 3.43Å; I38-V71 HydrophobicContact CG2-CG1 3.93Å; I38-V72 HydrophobicContact CG2-CG1 4.23Å
39K93.5Very high94.5Very high114 Ų11437.1 Ų37.150%0.49619%0.189SC..Hα-helixtrans-58.4-43.4178.4-174.3-179.6176-170.80111.9L35 Q37 L42L35-K39 WeakPolarHBondContact O-CB 3.42Å; L35-K39 PolarHBondContact O-N 3.41Å; Q37-K39 VanDerWaalsContact C-N 3.33Å; Q37-K39 PolarHBondContact O-N 2.65Å; K39-L42 WeakPolarHBondContact O-CB 3.39Å; K39-L42 PolarHBondContact O-N 3.48Å
40A95Very high94.4Very high10 Ų1037 Ų378%0.08319%0.187CC..Hα-helixtrans-66.4-36.4177.100000112.7H36 Q37 I38 L42 E43 Y117 F119H36-A40 PolarHBondContact O-N 3.41Å; H36-A40 VanDerWaalsContact O-N 3.11Å; Q37-A40 PolarHBondContact O-N 3.09Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.04Å; A40-L42 VanDerWaalsContact C-N 3.27Å; A40-L42 PolarHBondContact O-N 3.5Å; A40-E43 WeakPolarHBondContact O-CB 3.34Å; A40-E43 PolarHBondContact O-N 3.46Å; A40-E43 VanDerWaalsContact O-N 3.15Å; A40-Y117 HydrophobicContact CB-CD2 3.39Å; A40-Y117 HydrophobicContact CB-CE2 4.23Å; A40-Y117 HydrophobicContact CB-CG 3.57Å; A40-F119 HydrophobicContact CB-CD2 4.08Å; A40-F119 HydrophobicContact CB-CE2 3.64Å
41L96.1Very high94.4Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-64.4-30.9173.7-77.1171.7000112.7A3 I5 Q37 I38 E43 V44 I46 I49 F107 L109 F119A3-L41 HydrophobicContact CB-CD1 3.51Å; A3-L41 HydrophobicContact CB-CD2 3.71Å; A3-L41 HydrophobicContact CB-CG 4.23Å; I5-L41 HydrophobicContact CD1-CD1 4.14Å; I5-L41 HydrophobicContact CG1-CD1 4.45Å; Q37-L41 WeakPolarHBondContact O-CG 3.3Å; Q37-L41 PolarHBondContact O-N 3.09Å; I38-L41 WeakPolarHBondContact O-CB 3.47Å; I38-L41 PolarHBondContact O-N 2.8Å; I38-L41 VanDerWaalsContact O-N 3.12Å; L41-E43 PolarHBondContact O-N 2.96Å; L41-V44 WeakPolarHBondContact O-CG2 3.49Å; L41-V44 PolarHBondContact O-N 3.1Å; L41-I46 HydrophobicContact CB-CG1 4.46Å; L41-I46 HydrophobicContact CD2-CG1 4.33Å; L41-I46 WeakPolarHBondContact O-CG1 3.41Å; L41-I49 HydrophobicContact CB-CD1 4.3Å; L41-I49 HydrophobicContact CD1-CD1 4.05Å; L41-I49 HydrophobicContact CD1-CG1 4.26Å; L41-I49 HydrophobicContact CD1-CG2 4.46Å; L41-F107 HydrophobicContact CD2-CB 4.32Å; L41-F107 HydrophobicContact CD2-CD2 4.18Å; L41-F107 HydrophobicContact CD2-CG 4.35Å; L41-L109 HydrophobicContact CD1-CD1 3.62Å; L41-L109 HydrophobicContact CD2-CD1 4.05Å; L41-L109 HydrophobicContact CG-CD1 3.97Å; L41-F119 HydrophobicContact CB-CE2 4.42Å; L41-F119 HydrophobicContact CD2-CD2 3.92Å; L41-F119 HydrophobicContact CD2-CE2 3.67Å; L41-F119 HydrophobicContact CD2-CG 4.49Å; L41-F119 HydrophobicContact CD2-CZ 4.07Å; L41-F119 HydrophobicContact CG-CD2 4.3Å; L41-F119 HydrophobicContact CG-CE2 3.72Å; L41-F119 HydrophobicContact CG-CZ 4.27Å
42L93.8Very high94.4Very high52 Ų5231.7 Ų31.727%0.27216%0.163SC..THydrogen-bonded Turntrans-70.3-12.7175.4-65.1175.9000113.2I38 K39 A40 V71 T75 V77I38-L42 HydrophobicContact CG2-CD1 4.37Å; I38-L42 HydrophobicContact CG2-CG 4.47Å; I38-L42 WeakPolarHBondContact O-CG 3.28Å; I38-L42 PolarHBondContact O-N 2.94Å; K39-L42 WeakPolarHBondContact O-CB 3.39Å; K39-L42 PolarHBondContact O-N 3.48Å; A40-L42 VanDerWaalsContact C-N 3.27Å; A40-L42 PolarHBondContact O-N 3.5Å; L42-V71 HydrophobicContact CD1-CG1 3.94Å; L42-T75 HydrophobicContact CD1-CG2 4.14Å; L42-T75 HydrophobicContact CD2-CG2 4.26Å; L42-V77 HydrophobicContact CD2-CB 3.94Å; L42-V77 HydrophobicContact CD2-CG1 4.26Å; L42-V77 HydrophobicContact CD2-CG2 3.41Å; L42-V77 VanDerWaalsContact CD2-CG2 3.41Å
43E93.3Very high94.1Very high148 Ų14830.4 Ų30.469%0.69216%0.155SC*.THydrogen-bonded Turntrans-82.3-4.5173.9-59.3-178.2178.700112.7A40 L41A40-E43 WeakPolarHBondContact O-CB 3.34Å; A40-E43 PolarHBondContact O-N 3.46Å; A40-E43 VanDerWaalsContact O-N 3.15Å; L41-E43 PolarHBondContact O-N 2.96Å
44V94Very high93.4Very high15 Ų1531.1 Ų31.19%0.09116%0.159CC..SBendtrans-121.5160170.6-690000109.7M1 L41 I46 F107 F119 K120M1-V44 HydrophobicContact CE-CB 4.21Å; M1-V44 HydrophobicContact CE-CG2 4.32Å; L41-V44 WeakPolarHBondContact O-CG2 3.49Å; L41-V44 PolarHBondContact O-N 3.1Å; V44-I46 HydrophobicContact CG2-CG1 3.86Å; V44-I46 PolarHBondContact O-N 3.31Å; V44-F107 HydrophobicContact CG2-CE2 4.13Å; V44-F119 HydrophobicContact CG1-CB 3.9Å; V44-F119 HydrophobicContact CG2-CB 4.06Å; V44-K120 HydrophobicContact CG1-CB 4.16Å
45D92.3Very high92.5Very high149 Ų14940 Ų4080%0.79719%0.192SC*.  trans-73.865.9-172.2-63.2-43.2000113.4
46I95.2Very high91.4Very high10 Ų1042.2 Ų42.25%0.05120%0.202CC..  trans-89.3133.7176.3-62.8-72.2000109.7M1 K2 A3 L41 V44 E48 I49 V77 F107M1-I46 HydrophobicContact CB-CD1 4.21Å; M1-I46 HydrophobicContact CE-CD1 3.78Å; M1-I46 HydrophobicContact CE-CG1 4.31Å; M1-I46 HydrophobicContact CG-CD1 3.81Å; M1-I46 WeakPolarHBondContact O-CA 3.31Å; M1-I46 HydrophobicContact SD-CD1 4.36Å; K2-I46 VanDerWaalsContact O-CD1 3.32Å; K2-I46 WeakPolarHBondContact O-CD1 3.48Å; A3-I46 HydrophobicContact CB-CD1 4.23Å; L41-I46 HydrophobicContact CB-CG1 4.46Å; L41-I46 HydrophobicContact CD2-CG1 4.33Å; L41-I46 WeakPolarHBondContact O-CG1 3.41Å; V44-I46 HydrophobicContact CG2-CG1 3.86Å; V44-I46 PolarHBondContact O-N 3.31Å; I46-E48 WeakPolarHBondContact CG2-O 3.23Å; I46-I49 HydrophobicContact CG2-CG1 3.78Å; I46-V77 HydrophobicContact CG2-CG1 4.36Å; I46-V77 WeakPolarHBondContact O-CG2 3.1Å; I46-F107 HydrophobicContact CD1-CD2 3.86Å; I46-F107 HydrophobicContact CD1-CE2 4.25Å
47T94.3Very high90.2Very high72 Ų7241.5 Ų41.544%0.44220%0.2SC..SBendtrans-102.1-26.8176.652.10000112.2M1 V77 K78M1-T47 PolarHBondContact O-N 2.92Å; M1-T47 PolarHBondContact O-OG1 3.5Å; T47-V77 WeakPolarHBondContact O-CA 3.2Å; T47-K78 PolarHBondContact O-N 3.25Å
48E95.9Very high89.2Confident24 Ų2446.1 Ų46.111%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-146.3132.6-175.2-166.1175.8157.500110.9K2 A3 I46 I50 K78 V80K2-E48 CarbonylContact C-O 3.56Å; K2-E48 VanDerWaalsContact CA-O 3.31Å; K2-E48 WeakPolarHBondContact CA-O 3.41Å; K2-E48 HydrophobicContact CD-CB 4.12Å; K2-E48 HydrophobicContact CG-CB 4.12Å; K2-E48 IonicContact NZ-OE2 3.28Å; K2-E48 PolarHBondContact NZ-OE2 3.41Å; A3-E48 PolarHBondContact N-O 2.77Å; I46-E48 WeakPolarHBondContact CG2-O 3.23Å; E48-I50 HydrophobicContact CB-CD1 4.47Å; E48-I50 HydrophobicContact CG-CD1 4.05Å; E48-I50 HydrophobicContact CG-CG1 4.5Å; E48-K78 CarbonylContact C-O 3.57Å; E48-K78 WeakPolarHBondContact CA-O 3.36Å; E48-K78 HydrophobicContact CG-CB 4.3Å; E48-V80 HydrophobicContact CG-CB 4.5Å; E48-V80 HydrophobicContact CG-CG2 3.94Å; E48-V80 WeakPolarHBondContact OE1-CG2 3.35Å
49I96.4Very high88.1Confident0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-114.6115.4172.9-58.9174.1000107.8A3 I5 I38 L41 I46 L51 V77 K78 I79 V80A3-I49 HydrophobicContact CB-CG1 4.46Å; A3-I49 CarbonylContact O-C 3.57Å; A3-I49 WeakPolarHBondContact O-CA 3.33Å; I5-I49 HydrophobicContact CD1-CG2 3.94Å; I5-I49 HydrophobicContact CG1-CG2 4.28Å; I38-I49 HydrophobicContact CB-CD1 4.47Å; I38-I49 HydrophobicContact CG1-CD1 4.31Å; I38-I49 HydrophobicContact CG2-CD1 3.92Å; L41-I49 HydrophobicContact CB-CD1 4.3Å; L41-I49 HydrophobicContact CD1-CD1 4.05Å; L41-I49 HydrophobicContact CD1-CG1 4.26Å; L41-I49 HydrophobicContact CD1-CG2 4.46Å; I46-I49 HydrophobicContact CG2-CG1 3.78Å; I49-L51 HydrophobicContact CG2-CD2 3.97Å; I49-V77 HydrophobicContact CD1-CG1 3.91Å; I49-V77 HydrophobicContact CG1-CG1 3.83Å; I49-K78 PolarHBondContact N-O 2.92Å; I49-I79 HydrophobicContact CB-CD1 3.84Å; I49-I79 HydrophobicContact CD1-CD1 4.22Å; I49-I79 HydrophobicContact CG1-CD1 4.46Å; I49-I79 HydrophobicContact CG2-CD1 4.38Å; I49-I79 WeakPolarHBondContact O-CA 3.25Å; I49-V80 PolarHBondContact O-N 3.28Å
50I95.7Very high87Confident0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-93.9123.6176.2-54.981.3000107.9K2 A3 L4 I5 E48 V80 A97 F100 L101K2-I50 HydrophobicContact CB-CD1 4.02Å; K2-I50 HydrophobicContact CD-CD1 4.16Å; A3-I50 VanDerWaalsContact O-CD1 3.28Å; A3-I50 WeakPolarHBondContact O-CD1 3.38Å; A3-I50 PolarHBondContact O-N 3.41Å; L4-I50 CarbonylContact C-O 3.52Å; L4-I50 VanDerWaalsContact CA-O 3.32Å; L4-I50 WeakPolarHBondContact CA-O 3.14Å; L4-I50 HydrophobicContact CD1-CB 3.67Å; L4-I50 HydrophobicContact CD1-CG2 3.52Å; I5-I50 PolarHBondContact N-O 2.86Å; E48-I50 HydrophobicContact CB-CD1 4.47Å; E48-I50 HydrophobicContact CG-CD1 4.05Å; E48-I50 HydrophobicContact CG-CG1 4.5Å; I50-V80 CarbonylContact C-O 3.59Å; I50-V80 VanDerWaalsContact CA-O 3.31Å; I50-V80 WeakPolarHBondContact CA-O 3.27Å; I50-V80 HydrophobicContact CG1-CB 4.39Å; I50-A97 HydrophobicContact CG2-CB 4.28Å; I50-F100 HydrophobicContact CG1-CB 3.9Å; I50-L101 HydrophobicContact CD1-CD2 3.79Å; I50-L101 HydrophobicContact CG1-CD2 4.42Å
51L94.5Very high86.4Confident0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-96.6108.8171.1-55.8-175.4000107.4I5 I7 L34 I49 I53 I64 I79 V80 F81 S82I5-L51 HydrophobicContact CB-CD2 3.94Å; I5-L51 HydrophobicContact CD1-CD2 3.94Å; I5-L51 HydrophobicContact CG1-CD2 4.25Å; I7-L51 HydrophobicContact CD1-CB 4.07Å; I7-L51 HydrophobicContact CD1-CD1 4.4Å; I7-L51 HydrophobicContact CD1-CD2 4.14Å; I7-L51 HydrophobicContact CD1-CG 4.43Å; L34-L51 HydrophobicContact CD1-CD2 4.26Å; L34-L51 HydrophobicContact CD2-CD1 4.46Å; I49-L51 HydrophobicContact CG2-CD2 3.97Å; L51-I53 HydrophobicContact CB-CD1 4.41Å; L51-I53 HydrophobicContact CB-CG1 4.07Å; L51-I53 PolarHBondContact O-N 2.8Å; L51-I64 HydrophobicContact CD1-CG2 3.6Å; L51-I79 HydrophobicContact CD1-CG2 3.92Å; L51-I79 HydrophobicContact CG-CG2 4.17Å; L51-V80 PolarHBondContact N-O 3.03Å; L51-F81 HydrophobicContact CD1-CE1 4.01Å; L51-F81 HydrophobicContact CD1-CE2 4.48Å; L51-F81 HydrophobicContact CD1-CZ 3.94Å; L51-S82 PolarHBondContact O-N 2.99Å
52A92.6Very high85.8Confident1 Ų154.9 Ų54.91%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-80.1101.6173.400000108.5L4 I5 L6 I7 S82 P93L4-A52 HydrophobicContact CD1-CB 3.91Å; L4-A52 HydrophobicContact CG-CB 4.43Å; I5-A52 PolarHBondContact O-N 3.03Å; L6-A52 HydrophobicContact CD2-CB 4.19Å; I7-A52 CarbonylContact C-O 3.53Å; I7-A52 WeakPolarHBondContact CA-O 3.48Å; I7-A52 WeakPolarHBondContact CB-O 3.38Å; I7-A52 PolarHBondContact N-O 2.85Å; I7-A52 VanDerWaalsContact O-O 3.11Å; A52-S82 CarbonylContact C-O 3.58Å; A52-S82 WeakPolarHBondContact CA-O 3.31Å; A52-P93 HydrophobicContact CB-CB 3.66Å
53I87Confident85.2Confident0 Ų054.8 Ų54.80%029%0.285CS..EExtended strand (participates in β ladder)trans-103.4123.1-173.1-61.7-150.3000108.5L51 A57 I64 F81 S82 Y83 E84L51-I53 HydrophobicContact CB-CD1 4.41Å; L51-I53 HydrophobicContact CB-CG1 4.07Å; L51-I53 PolarHBondContact O-N 2.8Å; I53-A57 HydrophobicContact CG2-CB 3.72Å; I53-I64 HydrophobicContact CD1-CD1 3.9Å; I53-F81 HydrophobicContact CD1-CD1 3.38Å; I53-F81 HydrophobicContact CD1-CE1 3.56Å; I53-F81 HydrophobicContact CG1-CD1 4.12Å; I53-S82 PolarHBondContact N-O 3.2Å; I53-Y83 HydrophobicContact CB-CD1 4.46Å; I53-Y83 HydrophobicContact CG2-CD1 4.43Å; I53-Y83 CarbonylContact O-C 3.6Å; I53-Y83 WeakPolarHBondContact O-CA 3.24Å; I53-E84 PolarHBondContact O-N 3.11Å
54N79.2Confident84.8Confident15 Ų1547.8 Ų47.88%0.0825%0.252CS..  trans-80.8166.9170.974.1-4.3000112.1I7 G9 E56 A57 E58I7-N54 PolarHBondContact O-N 2.68Å; G9-N54 PolarHBondContact N-ND2 3.15Å; N54-E56 PolarHBondContact ND2-OE2 2.97Å; N54-E56 PolarHBondContact O-N 2.77Å; N54-E56 VanDerWaalsContact O-N 3.08Å; N54-E56 PolarHBondContact OD1-N 2.98Å; N54-E56 PolarHBondContact OD1-OE2 3.31Å; N54-A57 PolarHBondContact O-N 2.82Å; N54-A57 WeakPolarHBondContact OD1-CB 3.4Å; N54-A57 PolarHBondContact OD1-N 2.88Å; N54-A57 VanDerWaalsContact OD1-N 3.15Å; N54-E58 PolarHBondContact O-N 3.04Å
55R74.3Confident84.5Confident185 Ų18550.8 Ų50.870%0.69826%0.262SS*.Hα-helixtrans-53-33.7-177.9-172.2179.1177.7-175.1-0.4113
56E69.7Low84.3Confident71 Ų7148.7 Ų48.733%0.33225%0.248SC..Hα-helixtrans-67.2-35.8178.8-63.681.9-178.900113.2Y10 N54Y10-E56 HydrophobicContact CD1-CB 4.2Å; Y10-E56 HydrophobicContact CD1-CG 4.02Å; Y10-E56 HydrophobicContact CD2-CG 4.17Å; Y10-E56 HydrophobicContact CE1-CB 3.85Å; Y10-E56 HydrophobicContact CE1-CG 3.43Å; Y10-E56 VanDerWaalsContact CE1-CG 3.43Å; Y10-E56 HydrophobicContact CE2-CG 3.6Å; Y10-E56 HydrophobicContact CG-CG 4.36Å; Y10-E56 WeakPolarHBondContact OH-CG 3.35Å; N54-E56 PolarHBondContact ND2-OE2 2.97Å; N54-E56 PolarHBondContact O-N 2.77Å; N54-E56 VanDerWaalsContact O-N 3.08Å; N54-E56 PolarHBondContact OD1-N 2.98Å; N54-E56 PolarHBondContact OD1-OE2 3.31Å
57A70.1Confident83.8Confident6 Ų649.5 Ų49.55%0.0525%0.254CS..Hα-helixtrans-89.3-11.8-178.500000113.6I7 I53 N54 V59 L60I7-A57 HydrophobicContact CG2-CB 3.93Å; I53-A57 HydrophobicContact CG2-CB 3.72Å; N54-A57 PolarHBondContact O-N 2.82Å; N54-A57 WeakPolarHBondContact OD1-CB 3.4Å; N54-A57 PolarHBondContact OD1-N 2.88Å; N54-A57 VanDerWaalsContact OD1-N 3.15Å; A57-V59 VanDerWaalsContact C-N 3.29Å; A57-V59 PolarHBondContact O-N 3.11Å; A57-L60 PolarHBondContact O-N 2.89Å
58E74.2Confident83.5Confident96 Ų9646 Ų4645%0.44923%0.233SC..Hα-helixtrans-56.5-39.1178.7-174.1180-179.100112.9N54 L60 E61 Y83N54-E58 PolarHBondContact O-N 3.04Å; E58-L60 PolarHBondContact O-N 2.75Å; E58-E61 WeakPolarHBondContact O-CB 3.35Å; E58-E61 PolarHBondContact O-N 2.99Å; E58-E61 VanDerWaalsContact O-N 3.11Å; E58-Y83 HydrophobicContact CG-CD1 4.05Å; E58-Y83 HydrophobicContact CG-CE1 4.11Å
59V72.5Confident83.1Confident125 Ų12548.5 Ų48.576%0.75825%0.247SC*.THydrogen-bonded Turntrans-57.3-20178.4179.60000112.5A57A57-V59 VanDerWaalsContact C-N 3.29Å; A57-V59 PolarHBondContact O-N 3.11Å
60L72Confident82.6Confident50 Ų5054.1 Ų54.126%0.26227%0.271SS..THydrogen-bonded Turntrans-112.67.9-170.1-59.4152.7000111.8P22 A57 E58 S62 S63 I64P22-L60 HydrophobicContact CB-CD1 3.62Å; P22-L60 HydrophobicContact CG-CB 4.12Å; P22-L60 HydrophobicContact CG-CD1 3.47Å; P22-L60 VanDerWaalsContact CG-CD1 3.47Å; P22-L60 HydrophobicContact CG-CG 4.23Å; A57-L60 PolarHBondContact O-N 2.89Å; E58-L60 PolarHBondContact O-N 2.75Å; L60-S62 PolarHBondContact O-N 2.92Å; L60-S63 PolarHBondContact O-N 3.42Å; L60-S63 VanDerWaalsContact O-N 3.12Å; L60-I64 WeakPolarHBondContact O-CG1 3.41Å; L60-I64 PolarHBondContact O-N 2.91Å
61E81.3Confident82.2Confident49 Ų4956.2 Ų56.223%0.22928%0.284CS..Hα-helixtrans-51.2-43.6-179.9-174-157.6136.100111.9E58 S63 I64 R65 F81 Y83E58-E61 WeakPolarHBondContact O-CB 3.35Å; E58-E61 PolarHBondContact O-N 2.99Å; E58-E61 VanDerWaalsContact O-N 3.11Å; E61-S63 PolarHBondContact O-N 2.82Å; E61-I64 PolarHBondContact O-N 3.38Å; E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 PolarHBondContact O-N 2.88Å; E61-R65 IonicContact OE1-CZ 2.73Å; E61-R65 IonicContact OE1-NE 3.31Å; E61-R65 PolarHBondContact OE1-NE 3.22Å; E61-R65 VanDerWaalsContact OE1-NE 3.15Å; E61-R65 IonicContact OE1-NH2 3.54Å; E61-R65 PolarHBondContact OE1-NH2 3.45Å; E61-F81 HydrophobicContact CG-CD1 3.7Å; E61-F81 HydrophobicContact CG-CE1 3.59Å; E61-F81 HydrophobicContact CG-CG 4.45Å; E61-F81 HydrophobicContact CG-CZ 4.27Å; E61-Y83 PolarHBondContact OE1-OH 2.82Å; E61-Y83 PolarHBondContact OE2-OH 2.87Å
62S84Confident81.9Confident84 Ų8456.8 Ų56.859%0.58729%0.287SS*.Hα-helixtrans-58.5-46.3-179.256.80000112L60 E66L60-S62 PolarHBondContact O-N 2.92Å; S62-E66 WeakPolarHBondContact O-CB 3.31Å; S62-E66 PolarHBondContact O-N 2.9Å
63S80.6Confident81.7Confident51 Ų5163.3 Ų63.336%0.35732%0.318SS..Hα-helixtrans-69-37.8177.8-56.80000112.7L60 E61 S67L60-S63 PolarHBondContact O-N 3.42Å; L60-S63 VanDerWaalsContact O-N 3.12Å; E61-S63 PolarHBondContact O-N 2.82Å; S63-S67 WeakPolarHBondContact O-CB 3.42Å; S63-S67 PolarHBondContact O-N 3.2Å; S63-S67 VanDerWaalsContact O-N 3.13Å; S63-S67 PolarHBondContact O-OG 3.31Å
64I84.3Confident81.7Confident0 Ų070.3 Ų70.30%036%0.355CS..Hα-helixtrans-64.1-50.7174.9-66.1171.5000109.7L25 L34 L51 I53 L60 E61 S67 C68 F81L25-I64 HydrophobicContact CD1-CG1 3.79Å; L25-I64 HydrophobicContact CD2-CG1 4.15Å; L25-I64 HydrophobicContact CG-CG1 4.08Å; L34-I64 HydrophobicContact CD2-CG2 3.9Å; L51-I64 HydrophobicContact CD1-CG2 3.6Å; I53-I64 HydrophobicContact CD1-CD1 3.9Å; L60-I64 WeakPolarHBondContact O-CG1 3.41Å; L60-I64 PolarHBondContact O-N 2.91Å; E61-I64 PolarHBondContact O-N 3.38Å; I64-S67 PolarHBondContact O-N 2.77Å; I64-C68 WeakPolarHBondContact O-CB 3.35Å; I64-C68 PolarHBondContact O-N 3.48Å; I64-C68 PolarHBondContact O-SG 2.86Å; I64-F81 HydrophobicContact CB-CE1 4.38Å; I64-F81 HydrophobicContact CG2-CE1 3.94Å; I64-F81 HydrophobicContact CG2-CZ 4.12Å
65R88.6Confident82.2Confident79 Ų7972 Ų7230%0.29837%0.366SS..Hα-helixtrans-57.3-51179.2-175.7179-62.3-73.21.4111.2E61 S67 C68 D69 F81E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 PolarHBondContact O-N 2.88Å; E61-R65 IonicContact OE1-CZ 2.73Å; E61-R65 IonicContact OE1-NE 3.31Å; E61-R65 PolarHBondContact OE1-NE 3.22Å; E61-R65 VanDerWaalsContact OE1-NE 3.15Å; E61-R65 IonicContact OE1-NH2 3.54Å; E61-R65 PolarHBondContact OE1-NH2 3.45Å; R65-S67 VanDerWaalsContact C-N 3.27Å; R65-S67 PolarHBondContact O-N 2.85Å; R65-C68 PolarHBondContact O-N 3.25Å; R65-D69 WeakPolarHBondContact CG-OD2 3.37Å; R65-D69 WeakPolarHBondContact O-CB 3.47Å; R65-D69 PolarHBondContact O-N 2.74Å; R65-F81 HydrophobicContact CB-CE2 4.24Å; R65-F81 HydrophobicContact CB-CZ 3.76Å; R65-F81 HydrophobicContact CG-CE2 4.31Å; R65-F81 HydrophobicContact CG-CZ 4.33Å
66E87.9Confident83Confident105 Ų10571.3 Ų71.349%0.49138%0.376SS..Hα-helixtrans-56.5-42.5177.3-171.9-166.5162.100112S62 K70S62-E66 WeakPolarHBondContact O-CB 3.31Å; S62-E66 PolarHBondContact O-N 2.9Å; E66-K70 WeakPolarHBondContact O-CG 3.18Å; E66-K70 PolarHBondContact O-N 3.27Å; E66-K70 WeakPolarHBondContact OE1-CE 3.49Å; E66-K70 IonicContact OE1-NZ 2.86Å; E66-K70 PolarHBondContact OE1-NZ 3.4Å
67S84.6Confident84.2Confident26 Ų2668.9 Ų68.918%0.18237%0.366CS..Hα-helixtrans-67.5-43.4179.7-60.50000112S63 I64 R65S63-S67 WeakPolarHBondContact O-CB 3.42Å; S63-S67 PolarHBondContact O-N 3.2Å; S63-S67 VanDerWaalsContact O-N 3.13Å; S63-S67 PolarHBondContact O-OG 3.31Å; I64-S67 PolarHBondContact O-N 2.77Å; R65-S67 VanDerWaalsContact C-N 3.27Å; R65-S67 PolarHBondContact O-N 2.85Å
68C88.4Confident85.3Confident0 Ų074.8 Ų74.80%039%0.391CS..Hα-helixtrans-66.9-46.4178.5-66.40000111.5I38 I64 R65 K70 V71 V72 I79I38-C68 HydrophobicContact CD1-CB 4.22Å; I38-C68 WeakPolarHBondContact CD1-SG 3.43Å; I64-C68 WeakPolarHBondContact O-CB 3.35Å; I64-C68 PolarHBondContact O-N 3.48Å; I64-C68 PolarHBondContact O-SG 2.86Å; R65-C68 PolarHBondContact O-N 3.25Å; C68-K70 VanDerWaalsContact C-N 3.28Å; C68-K70 PolarHBondContact O-N 2.97Å; C68-V71 PolarHBondContact O-N 2.82Å; C68-V72 WeakPolarHBondContact O-CG2 3.21Å; C68-V72 PolarHBondContact O-N 2.57Å; C68-I79 HydrophobicContact CB-CD1 4.41Å; C68-I79 HydrophobicContact CB-CG1 4.07Å; C68-I79 HydrophobicContact CB-CG2 4.44Å
69D87.1Confident86.2Confident76 Ų7671.1 Ų71.141%0.40637%0.374SS..Hα-helixtrans-58.1-40.6-178.5-70.8-12.4000111.2R65 V71 V72 Q73R65-D69 WeakPolarHBondContact CG-OD2 3.37Å; R65-D69 WeakPolarHBondContact O-CB 3.47Å; R65-D69 PolarHBondContact O-N 2.74Å; D69-V71 PolarHBondContact O-N 2.67Å; D69-V72 PolarHBondContact O-N 3.07Å; D69-Q73 WeakPolarHBondContact O-CA 3.27Å; D69-Q73 VanDerWaalsContact O-CB 3.29Å; D69-Q73 WeakPolarHBondContact O-CB 3.45Å; D69-Q73 PolarHBondContact O-N 2.89Å
70K85.5Confident87.2Confident118 Ų11865.9 Ų65.951%0.51334%0.342SS..Hα-helixtrans-59.7-30.9174.8-75.1172.9-173.6167.80113.7E66 C68 Q73E66-K70 WeakPolarHBondContact O-CG 3.18Å; E66-K70 PolarHBondContact O-N 3.27Å; E66-K70 WeakPolarHBondContact OE1-CE 3.49Å; E66-K70 IonicContact OE1-NZ 2.86Å; E66-K70 PolarHBondContact OE1-NZ 3.4Å; C68-K70 VanDerWaalsContact C-N 3.28Å; C68-K70 PolarHBondContact O-N 2.97Å; K70-Q73 WeakPolarHBondContact O-CG 3.24Å; K70-Q73 PolarHBondContact O-NE2 3.07Å
71V87Confident88.2Confident44 Ų4464.2 Ų64.227%0.26733%0.333SS..Hα-helixtrans-84.5-38179.6177.40000111.3L35 I38 L42 C68 D69L35-V71 HydrophobicContact CB-CG2 4.38Å; L35-V71 HydrophobicContact CD1-CG2 3.76Å; L35-V71 HydrophobicContact CD2-CG2 3.79Å; L35-V71 HydrophobicContact CG-CG2 4.16Å; I38-V71 HydrophobicContact CG2-CG1 3.93Å; L42-V71 HydrophobicContact CD1-CG1 3.94Å; C68-V71 PolarHBondContact O-N 2.82Å; D69-V71 PolarHBondContact O-N 2.67Å
72V89.1Confident88.7Confident11 Ų1162 Ų627%0.06732%0.323CS..Hα-helixtrans-90.8-7.6-177.8-58.10000114.6I38 C68 D69 N74 T75 V77 I79I38-V72 HydrophobicContact CG2-CG1 4.23Å; C68-V72 WeakPolarHBondContact O-CG2 3.21Å; C68-V72 PolarHBondContact O-N 2.57Å; D69-V72 PolarHBondContact O-N 3.07Å; V72-N74 PolarHBondContact O-N 3.39Å; V72-T75 WeakPolarHBondContact CA-OG1 3.33Å; V72-T75 WeakPolarHBondContact CB-OG1 3.46Å; V72-T75 WeakPolarHBondContact O-CA 3.35Å; V72-T75 WeakPolarHBondContact O-CB 3.21Å; V72-T75 PolarHBondContact O-N 3.1Å; V72-T75 PolarHBondContact O-OG1 2.84Å; V72-V77 HydrophobicContact CG1-CB 4.46Å; V72-I79 HydrophobicContact CG1-CD1 3.87Å; V72-I79 HydrophobicContact CG1-CG1 4.26Å; V72-I79 HydrophobicContact CG2-CD1 4.49Å; V72-I79 HydrophobicContact CG2-CG1 3.95Å
73Q87.7Confident88.8Confident138 Ų13861.5 Ų61.565%0.64531%0.309SS*.THydrogen-bonded Turntrans-50.4-30.4-174.562.5-176.9-26.400115.4D69 K70D69-Q73 WeakPolarHBondContact O-CA 3.27Å; D69-Q73 VanDerWaalsContact O-CB 3.29Å; D69-Q73 WeakPolarHBondContact O-CB 3.45Å; D69-Q73 PolarHBondContact O-N 2.89Å; K70-Q73 WeakPolarHBondContact O-CG 3.24Å; K70-Q73 PolarHBondContact O-NE2 3.07Å
74N87Confident88.7Confident148 Ų14860.4 Ų60.479%0.79130%0.298SS*.THydrogen-bonded Turntrans-10523.7179.9-64.2-39.2000112.5V72V72-N74 PolarHBondContact O-N 3.39Å
75T90.7Very high88.2Confident49 Ų4969 Ų6930%0.30134%0.335SS..SBendtrans-131.1161.9-177.578.10000109.9L42 V72 V77L42-T75 HydrophobicContact CD1-CG2 4.14Å; L42-T75 HydrophobicContact CD2-CG2 4.26Å; V72-T75 WeakPolarHBondContact CA-OG1 3.33Å; V72-T75 WeakPolarHBondContact CB-OG1 3.46Å; V72-T75 WeakPolarHBondContact O-CA 3.35Å; V72-T75 WeakPolarHBondContact O-CB 3.21Å; V72-T75 PolarHBondContact O-N 3.1Å; V72-T75 PolarHBondContact O-OG1 2.84Å; T75-V77 PolarHBondContact O-N 3.05Å; T75-V77 PolarHBondContact OG1-N 2.97Å
76N90.6Very high87.6Confident172 Ų17272.1 Ų72.192%0.9235%0.353SS*.SBendtrans-87.913.7173-65.6-37000112.7
77V94.4Very high86.8Confident20 Ų2071.3 Ų71.312%0.12136%0.364CS..PPolyproline II helixtrans-84.4127.3-174.5-178.10000110.6L42 I46 T47 I49 V72 T75L42-V77 HydrophobicContact CD2-CB 3.94Å; L42-V77 HydrophobicContact CD2-CG1 4.26Å; L42-V77 HydrophobicContact CD2-CG2 3.41Å; L42-V77 VanDerWaalsContact CD2-CG2 3.41Å; I46-V77 HydrophobicContact CG2-CG1 4.36Å; I46-V77 WeakPolarHBondContact O-CG2 3.1Å; T47-V77 WeakPolarHBondContact O-CA 3.2Å; I49-V77 HydrophobicContact CD1-CG1 3.91Å; I49-V77 HydrophobicContact CG1-CG1 3.83Å; V72-V77 HydrophobicContact CG1-CB 4.46Å; T75-V77 PolarHBondContact O-N 3.05Å; T75-V77 PolarHBondContact OG1-N 2.97Å
78K93.4Very high86.5Confident130 Ų13071.5 Ų71.557%0.56536%0.363SS*.EExtended strand (participates in β ladder)trans-89.9132.3177.4-173.5-175.1-180-168.50110.9T47 E48 I49 V80T47-K78 PolarHBondContact O-N 3.25Å; E48-K78 CarbonylContact C-O 3.57Å; E48-K78 WeakPolarHBondContact CA-O 3.36Å; E48-K78 HydrophobicContact CG-CB 4.3Å; I49-K78 PolarHBondContact N-O 2.92Å; K78-V80 HydrophobicContact CD-CG2 3.82Å; K78-V80 HydrophobicContact CG-CG2 3.96Å
79I94.2Very high86.2Confident19 Ų1975.8 Ų75.810%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-92.8127167.4-53.5-59.1000109.4I49 L51 C68 V72 F81I49-I79 HydrophobicContact CB-CD1 3.84Å; I49-I79 HydrophobicContact CD1-CD1 4.22Å; I49-I79 HydrophobicContact CG1-CD1 4.46Å; I49-I79 HydrophobicContact CG2-CD1 4.38Å; I49-I79 WeakPolarHBondContact O-CA 3.25Å; L51-I79 HydrophobicContact CD1-CG2 3.92Å; L51-I79 HydrophobicContact CG-CG2 4.17Å; C68-I79 HydrophobicContact CB-CD1 4.41Å; C68-I79 HydrophobicContact CB-CG1 4.07Å; C68-I79 HydrophobicContact CB-CG2 4.44Å; V72-I79 HydrophobicContact CG1-CD1 3.87Å; V72-I79 HydrophobicContact CG1-CG1 4.26Å; V72-I79 HydrophobicContact CG2-CD1 4.49Å; V72-I79 HydrophobicContact CG2-CG1 3.95Å; I79-F81 HydrophobicContact CG2-CD2 4.13Å; I79-F81 HydrophobicContact CG2-CE2 3.54Å; I79-F81 HydrophobicContact CG2-CZ 4.19Å
80V93.6Very high85.9Confident14 Ų1474.4 Ų74.49%0.08538%0.381CS..EExtended strand (participates in β ladder)trans-122.6140.2176.5175.10000109.7E48 I49 I50 L51 K78 F100E48-V80 HydrophobicContact CG-CB 4.5Å; E48-V80 HydrophobicContact CG-CG2 3.94Å; E48-V80 WeakPolarHBondContact OE1-CG2 3.35Å; I49-V80 PolarHBondContact O-N 3.28Å; I50-V80 CarbonylContact C-O 3.59Å; I50-V80 VanDerWaalsContact CA-O 3.31Å; I50-V80 WeakPolarHBondContact CA-O 3.27Å; I50-V80 HydrophobicContact CG1-CB 4.39Å; L51-V80 PolarHBondContact N-O 3.03Å; K78-V80 HydrophobicContact CD-CG2 3.82Å; K78-V80 HydrophobicContact CG-CG2 3.96Å; V80-F100 HydrophobicContact CG1-CD1 3.88Å; V80-F100 HydrophobicContact CG1-CD2 4.45Å; V80-F100 HydrophobicContact CG1-CE1 3.8Å; V80-F100 HydrophobicContact CG1-CE2 4.38Å; V80-F100 HydrophobicContact CG1-CG 4.21Å; V80-F100 HydrophobicContact CG1-CZ 4.06Å
81F91.8Very high85.8Confident16 Ų1668.8 Ų68.87%0.0736%0.356CS..EExtended strand (participates in β ladder)trans-106.3124.5179.8-71.6-107.1000108.3L51 I53 E61 I64 R65 I79 Y83L51-F81 HydrophobicContact CD1-CE1 4.01Å; L51-F81 HydrophobicContact CD1-CE2 4.48Å; L51-F81 HydrophobicContact CD1-CZ 3.94Å; I53-F81 HydrophobicContact CD1-CD1 3.38Å; I53-F81 HydrophobicContact CD1-CE1 3.56Å; I53-F81 HydrophobicContact CG1-CD1 4.12Å; E61-F81 HydrophobicContact CG-CD1 3.7Å; E61-F81 HydrophobicContact CG-CE1 3.59Å; E61-F81 HydrophobicContact CG-CG 4.45Å; E61-F81 HydrophobicContact CG-CZ 4.27Å; I64-F81 HydrophobicContact CB-CE1 4.38Å; I64-F81 HydrophobicContact CG2-CE1 3.94Å; I64-F81 HydrophobicContact CG2-CZ 4.12Å; R65-F81 HydrophobicContact CB-CE2 4.24Å; R65-F81 HydrophobicContact CB-CZ 3.76Å; R65-F81 HydrophobicContact CG-CE2 4.31Å; R65-F81 HydrophobicContact CG-CZ 4.33Å; I79-F81 HydrophobicContact CG2-CD2 4.13Å; I79-F81 HydrophobicContact CG2-CE2 3.54Å; I79-F81 HydrophobicContact CG2-CZ 4.19Å; F81-Y83 HydrophobicContact CB-CE1 4.45Å; F81-Y83 HydrophobicContact CB-CE2 3.81Å
82S91.8Very high85.8Confident3 Ų366.9 Ų66.92%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-115108.4176.6176.60000108.5L51 A52 I53L51-S82 PolarHBondContact O-N 2.99Å; A52-S82 CarbonylContact C-O 3.58Å; A52-S82 WeakPolarHBondContact CA-O 3.31Å; I53-S82 PolarHBondContact N-O 3.2Å
83Y86.8Confident85.7Confident72 Ų7266.8 Ų66.828%0.28235%0.345SS..EExtended strand (participates in β ladder)trans-89.7128.5-175.3-52.8-91.8000111.6I53 E58 E61 F81 Q96I53-Y83 HydrophobicContact CB-CD1 4.46Å; I53-Y83 HydrophobicContact CG2-CD1 4.43Å; I53-Y83 CarbonylContact O-C 3.6Å; I53-Y83 WeakPolarHBondContact O-CA 3.24Å; E58-Y83 HydrophobicContact CG-CD1 4.05Å; E58-Y83 HydrophobicContact CG-CE1 4.11Å; E61-Y83 PolarHBondContact OE1-OH 2.82Å; E61-Y83 PolarHBondContact OE2-OH 2.87Å; F81-Y83 HydrophobicContact CB-CE1 4.45Å; F81-Y83 HydrophobicContact CB-CE2 3.81Å; Y83-Q96 WeakPolarHBondContact O-CG 3.38Å
84E78.8Confident85.8Confident28 Ų2860.2 Ų60.213%0.13131%0.314CS..  trans-78.9119.2167.3-64.4177.2-166.700110.1I53 P93I53-E84 PolarHBondContact O-N 3.11Å; E84-P93 WeakPolarHBondContact OE1-CA 3.34Å; E84-P93 WeakPolarHBondContact OE1-CB 3.3Å; E84-P93 WeakPolarHBondContact OE1-CD 3.39Å; E84-P93 WeakPolarHBondContact OE1-CG 3.23Å
85K74Confident85.8Confident180 Ų18054.3 Ų54.378%0.78329%0.286SS*.SBendtrans-76.3-36.3173.1-64.1-177.5-180179.50112
86E74.4Confident85.8Confident145 Ų14555.9 Ų55.968%0.67829%0.29SS*.SBendtrans-133.9141-178.3-63.7-175.8172.300109.3L88E86-L88 HydrophobicContact CB-CD2 4.35Å; E86-L88 HydrophobicContact CB-CG 4.47Å; E86-L88 PolarHBondContact O-N 3.11Å
87A71.7Confident85.8Confident88 Ų8847.7 Ų47.773%0.72725%0.246SC*.  trans-74.196.7177.200000109.9D89A87-D89 VanDerWaalsContact C-N 3.34Å; A87-D89 PolarHBondContact O-N 3.39Å
88L79.2Confident85.7Confident30 Ų3047.8 Ų47.816%0.15725%0.249CC..  trans-97.434.3-179-59.3178.1000112.6E86 G92 P192 M193E86-L88 HydrophobicContact CB-CD2 4.35Å; E86-L88 HydrophobicContact CB-CG 4.47Å; E86-L88 PolarHBondContact O-N 3.11Å; L88-G92 PolarHBondContact O-N 2.94Å; L88-P192 HydrophobicContact CD2-CG 3.98Å; L88-P192 WeakPolarHBondContact O-CA 3.49Å; L88-M193 PolarHBondContact O-N 3.25Å
89D80.7Confident85.6Confident91 Ų9146 Ų4649%0.48725%0.251SS..THydrogen-bonded Turntrans59.8-170.9-174.8-159.31.6000112.5A87 G91 G92 P93 S194A87-D89 VanDerWaalsContact C-N 3.34Å; A87-D89 PolarHBondContact O-N 3.39Å; D89-G91 PolarHBondContact O-N 2.95Å; D89-G91 VanDerWaalsContact O-N 3.13Å; D89-G92 PolarHBondContact O-N 3.26Å; D89-P93 VanDerWaalsContact O-CD 3.28Å; D89-P93 WeakPolarHBondContact O-CD 3.31Å; D89-S194 VanDerWaalsContact OD2-CB 3.3Å; D89-S194 WeakPolarHBondContact OD2-CB 3.2Å; D89-S194 PolarHBondContact OD2-N 2.97Å
90T82.6Confident85.6Confident47 Ų4748.6 Ų48.629%0.28826%0.261SS..THydrogen-bonded Turntrans-63-20.6-170.662.50000115.2S194 I195 E196T90-S194 VanDerWaalsContact OG1-CA 3.24Å; T90-S194 WeakPolarHBondContact OG1-CA 3.3Å; T90-I195 WeakPolarHBondContact O-CD1 3.43Å; T90-I195 PolarHBondContact OG1-N 3.46Å; T90-E196 WeakPolarHBondContact CB-OE2 3.32Å; T90-E196 PolarHBondContact OG1-OE2 3.09Å
91G83.1Confident85.6Confident0 Ų048 Ų480%026%0.257CS..THydrogen-bonded Turntrans-84.7-21.617500000114.2D89 L94 A95 M193D89-G91 PolarHBondContact O-N 2.95Å; D89-G91 VanDerWaalsContact O-N 3.13Å; G91-L94 PolarHBondContact O-N 3.28Å; G91-A95 PolarHBondContact O-N 3.08Å; G91-M193 WeakPolarHBondContact CA-O 3.41Å; G91-M193 PolarHBondContact N-O 3Å
92G85.6Confident85.5Confident3 Ų351.5 Ų51.53%0.03128%0.281CS..Hα-helixtrans-48.1-53.8174.500000115.1L88 D89 L94 A95 Q96L88-G92 PolarHBondContact O-N 2.94Å; D89-G92 PolarHBondContact O-N 3.26Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 2.86Å; G92-A95 WeakPolarHBondContact O-CB 3.3Å; G92-A95 PolarHBondContact O-N 3.46Å; G92-A95 VanDerWaalsContact O-N 3.15Å; G92-Q96 WeakPolarHBondContact O-CB 3.26Å; G92-Q96 PolarHBondContact O-N 2.89Å
93P87.4Confident85.4Confident9 Ų954.7 Ų54.76%0.05831%0.314CS..Hα-helixtrans-58.2-37.3-1803.2-13.2000113.4L6 A52 E84 D89 A97L6-P93 HydrophobicContact CD2-CB 3.71Å; L6-P93 HydrophobicContact CD2-CG 3.92Å; A52-P93 HydrophobicContact CB-CB 3.66Å; E84-P93 WeakPolarHBondContact OE1-CA 3.34Å; E84-P93 WeakPolarHBondContact OE1-CB 3.3Å; E84-P93 WeakPolarHBondContact OE1-CD 3.39Å; E84-P93 WeakPolarHBondContact OE1-CG 3.23Å; D89-P93 VanDerWaalsContact O-CD 3.28Å; D89-P93 WeakPolarHBondContact O-CD 3.31Å; P93-A97 WeakPolarHBondContact O-CB 3.44Å; P93-A97 PolarHBondContact O-N 3.28Å
94L89.4Confident85.7Confident1 Ų155.2 Ų55.21%0.00532%0.319CS..Hα-helixtrans-69.9-43176.8-87.268.6000111.6L4 L6 G91 G92 Q96 A97 A98 V108 I188 I195L4-L94 HydrophobicContact CD2-CD1 3.52Å; L4-L94 HydrophobicContact CD2-CG 3.77Å; L6-L94 HydrophobicContact CD1-CD1 4.48Å; L6-L94 HydrophobicContact CD2-CD1 3.79Å; G91-L94 PolarHBondContact O-N 3.28Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 2.86Å; L94-Q96 VanDerWaalsContact C-N 3.28Å; L94-Q96 PolarHBondContact O-N 3.04Å; L94-A97 PolarHBondContact O-N 3.1Å; L94-A98 PolarHBondContact O-N 2.88Å; L94-V108 HydrophobicContact CD1-CG1 4.18Å; L94-V108 HydrophobicContact CD2-CG2 4.47Å; L94-I188 HydrophobicContact CB-CD1 3.57Å; L94-I188 HydrophobicContact CD2-CD1 3.56Å; L94-I188 HydrophobicContact CG-CD1 4.22Å; L94-I195 HydrophobicContact CD1-CD1 3.7Å; L94-I195 HydrophobicContact CD2-CD1 3.72Å; L94-I195 HydrophobicContact CG-CD1 4.24Å
95A88.2Confident86.6Confident23 Ų2357 Ų5719%0.1932%0.324CS..Hα-helixtrans-58.5-44.2176.500000110.9G91 G92 A98 I188G91-A95 PolarHBondContact O-N 3.08Å; G92-A95 WeakPolarHBondContact O-CB 3.3Å; G92-A95 PolarHBondContact O-N 3.46Å; G92-A95 VanDerWaalsContact O-N 3.15Å; A95-A98 VanDerWaalsContact O-CB 3.23Å; A95-A98 WeakPolarHBondContact O-CB 3.47Å; A95-A98 PolarHBondContact O-N 2.92Å; A95-I188 HydrophobicContact CB-CG2 3.76Å
96Q89.3Confident87.7Confident82 Ų8248.4 Ų48.438%0.38329%0.287SS..Hα-helixtrans-70.2-37.6-179.7-172.557.939.100112.5Y83 G92 L94 A98 P99Y83-Q96 WeakPolarHBondContact O-CG 3.38Å; G92-Q96 WeakPolarHBondContact O-CB 3.26Å; G92-Q96 PolarHBondContact O-N 2.89Å; L94-Q96 VanDerWaalsContact C-N 3.28Å; L94-Q96 PolarHBondContact O-N 3.04Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.2Å; Q96-P99 WeakPolarHBondContact O-CD 3.06Å
97A91.7Very high88.9Confident0 Ų041.5 Ų41.50%026%0.255CS..Hα-helixtrans-79-9177.200000113.6L4 I50 P93 L94 P99 F100 L101L4-A97 HydrophobicContact CD1-CB 3.65Å; L4-A97 HydrophobicContact CD2-CB 4.35Å; I50-A97 HydrophobicContact CG2-CB 4.28Å; P93-A97 WeakPolarHBondContact O-CB 3.44Å; P93-A97 PolarHBondContact O-N 3.28Å; L94-A97 PolarHBondContact O-N 3.1Å; A97-P99 VanDerWaalsContact C-N 3.32Å; A97-P99 VanDerWaalsContact O-N 3.15Å; A97-F100 WeakPolarHBondContact O-CB 3.39Å; A97-F100 PolarHBondContact O-N 3.14Å; A97-L101 HydrophobicContact CB-CD1 3.81Å; A97-L101 HydrophobicContact CB-CG 4.34Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 2.88Å
98A91.9Very high90.1Very high22 Ų2237.3 Ų37.318%0.18222%0.22CC..Hα-helixtrans-48.4-43.3-175.400000114.2L94 A95 Q96 F100 L101 T102 L185L94-A98 PolarHBondContact O-N 2.88Å; A95-A98 VanDerWaalsContact O-CB 3.23Å; A95-A98 WeakPolarHBondContact O-CB 3.47Å; A95-A98 PolarHBondContact O-N 2.92Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.2Å; A98-F100 PolarHBondContact O-N 3.49Å; A98-F100 VanDerWaalsContact O-N 3.13Å; A98-L101 PolarHBondContact O-N 3.11Å; A98-T102 WeakPolarHBondContact O-CG2 3.08Å; A98-T102 PolarHBondContact O-N 3.45Å; A98-L185 HydrophobicContact CB-CD1 4.18Å; A98-L185 HydrophobicContact CB-CD2 4.09Å
99P92.2Very high90.9Very high94 Ų9435.9 Ų35.961%0.6121%0.213SC*.Hα-helixtrans-59.1-25.9177.6-24.535.9000114.6Q96 A97 T102Q96-P99 WeakPolarHBondContact O-CD 3.06Å; A97-P99 VanDerWaalsContact C-N 3.32Å; A97-P99 VanDerWaalsContact O-N 3.15Å; P99-T102 PolarHBondContact O-OG1 3.04Å
100F93Very high91.5Very high73 Ų7333.5 Ų33.532%0.3220%0.2SC..Hα-helixtrans-87.2-20.8176-53.4-69.4000112.5K2 I50 V80 A97 A98K2-F100 WeakPolarHBondContact CD-O 3.21Å; K2-F100 WeakPolarHBondContact CE-O 3.37Å; K2-F100 PolarHBondContact NZ-O 2.91Å; I50-F100 HydrophobicContact CG1-CB 3.9Å; V80-F100 HydrophobicContact CG1-CD1 3.88Å; V80-F100 HydrophobicContact CG1-CD2 4.45Å; V80-F100 HydrophobicContact CG1-CE1 3.8Å; V80-F100 HydrophobicContact CG1-CE2 4.38Å; V80-F100 HydrophobicContact CG1-CG 4.21Å; V80-F100 HydrophobicContact CG1-CZ 4.06Å; A97-F100 WeakPolarHBondContact O-CB 3.39Å; A97-F100 PolarHBondContact O-N 3.14Å; A98-F100 PolarHBondContact O-N 3.49Å; A98-F100 VanDerWaalsContact O-N 3.13Å
101L94.1Very high92Very high0 Ų031.5 Ų31.50%019%0.188CC..Hα-helixtrans-100.8-12.2-173-60.4172.4000113.1K2 L4 I50 A97 A98 G103 F106 L185K2-L101 HydrophobicContact CB-CD2 4.5Å; L4-L101 HydrophobicContact CB-CD2 4.5Å; L4-L101 HydrophobicContact CD2-CD1 4.09Å; I50-L101 HydrophobicContact CD1-CD2 3.79Å; I50-L101 HydrophobicContact CG1-CD2 4.42Å; A97-L101 HydrophobicContact CB-CD1 3.81Å; A97-L101 HydrophobicContact CB-CG 4.34Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 2.88Å; A98-L101 PolarHBondContact O-N 3.11Å; L101-G103 PolarHBondContact O-N 3.35Å; L101-F106 HydrophobicContact CB-CD1 4.03Å; L101-F106 HydrophobicContact CB-CE1 3.99Å; L101-F106 HydrophobicContact CB-CG 4.47Å; L101-F106 HydrophobicContact CB-CZ 4.38Å; L101-F106 HydrophobicContact CD1-CD2 4.17Å; L101-F106 HydrophobicContact CD1-CE1 4.49Å; L101-F106 HydrophobicContact CD1-CE2 3.91Å; L101-F106 HydrophobicContact CD1-CZ 4.1Å; L101-F106 HydrophobicContact CD2-CB 3.99Å; L101-F106 HydrophobicContact CD2-CD1 4.2Å; L101-F106 HydrophobicContact CD2-CD2 3.98Å; L101-F106 HydrophobicContact CD2-CG 3.8Å; L101-F106 HydrophobicContact CG-CG 4.5Å; L101-L185 HydrophobicContact CB-CD1 4.05Å; L101-L185 HydrophobicContact CD1-CD2 4.45Å
102T89.1Confident92.5Very high91 Ų9133 Ų3356%0.55820%0.196SC*.THydrogen-bonded Turntrans-60.6135.1176.848.50000111.8A98 P99 L185A98-T102 WeakPolarHBondContact O-CG2 3.08Å; A98-T102 PolarHBondContact O-N 3.45Å; P99-T102 PolarHBondContact O-OG1 3.04Å; T102-L185 HydrophobicContact CG2-CD1 4.24Å
103G89.9Confident93Very high70 Ų7033.1 Ų33.172%0.72220%0.196SC*.THydrogen-bonded Turntrans96.4-17.7168.300000115.8L101L101-G103 PolarHBondContact O-N 3.35Å
104E93.2Very high93.5Very high83 Ų8332.7 Ų32.739%0.38819%0.193SC..SBendtrans-137142.1179.4-66.9-172.7-163.800112M1 F106 P182M1-E104 WeakPolarHBondContact CA-OE2 3.39Å; M1-E104 PolarHBondContact N-OE2 2.99Å; E104-F106 WeakPolarHBondContact O-CD1 3.34Å; E104-P182 VanDerWaalsContact C-CG 3.48Å; E104-P182 WeakPolarHBondContact O-CG 3.33Å
105R97.1Very high93.8Very high64 Ų6432.9 Ų32.924%0.24219%0.194CC..  trans-50.7144.4167.3-175.1-174.4-51.397.515.7111.5M1 K2 H126 I179 F180 E181M1-R105 WeakPolarHBondContact CG-O 3.39Å; K2-R105 PolarHBondContact N-O 2.84Å; K2-R105 VanDerWaalsContact N-O 3.11Å; R105-H126 PolarHBondContact NE-CD2 2.73Å; R105-I179 VanDerWaalsContact CD-CD1 3.42Å; R105-I179 HydrophobicContact CG-CD1 4.01Å; R105-I179 HydrophobicContact CG-CG1 3.75Å; R105-F180 WeakPolarHBondContact CA-O 3.43Å; R105-F180 VanDerWaalsContact CG-O 3.3Å; R105-F180 WeakPolarHBondContact CG-O 3.45Å; R105-E181 IonicContact CZ-OE1 3.24Å; R105-E181 IonicContact NE-OE1 3.76Å; R105-E181 PolarHBondContact NE-OE1 2.84Å; R105-E181 IonicContact NH2-OE1 3.34Å; R105-E181 PolarHBondContact NH2-OE1 3.01Å; R105-E181 IonicContact NH2-OE2 2.68Å
106F98.3Very high94.1Very high0 Ų033.9 Ų33.90%020%0.197CC..EExtended strand (participates in β ladder)trans-143.3149.4-179.659.4-86.5000113.4K2 L101 E104 V108 I179 F180 I184 L185K2-F106 HydrophobicContact CB-CB 4.01Å; K2-F106 CarbonylContact O-C 3.52Å; K2-F106 WeakPolarHBondContact O-CA 3.49Å; K2-F106 WeakPolarHBondContact O-CB 3.3Å; L101-F106 HydrophobicContact CB-CD1 4.03Å; L101-F106 HydrophobicContact CB-CE1 3.99Å; L101-F106 HydrophobicContact CB-CG 4.47Å; L101-F106 HydrophobicContact CB-CZ 4.38Å; L101-F106 HydrophobicContact CD1-CD2 4.17Å; L101-F106 HydrophobicContact CD1-CE1 4.49Å; L101-F106 HydrophobicContact CD1-CE2 3.91Å; L101-F106 HydrophobicContact CD1-CZ 4.1Å; L101-F106 HydrophobicContact CD2-CB 3.99Å; L101-F106 HydrophobicContact CD2-CD1 4.2Å; L101-F106 HydrophobicContact CD2-CD2 3.98Å; L101-F106 HydrophobicContact CD2-CG 3.8Å; L101-F106 HydrophobicContact CG-CG 4.5Å; E104-F106 WeakPolarHBondContact O-CD1 3.34Å; F106-V108 HydrophobicContact CD2-CG2 3.56Å; F106-V108 HydrophobicContact CE2-CG2 3.42Å; F106-V108 VanDerWaalsContact CE2-CG2 3.42Å; F106-I179 WeakPolarHBondContact O-CA 3.2Å; F106-F180 HydrophobicContact CE1-CB 4.45Å; F106-F180 HydrophobicContact CE2-CB 4.24Å; F106-F180 HydrophobicContact CE2-CD2 4.1Å; F106-F180 HydrophobicContact CZ-CB 4.06Å; F106-F180 PolarHBondContact N-O 3.43Å; F106-F180 PolarHBondContact O-N 3.13Å; F106-I184 HydrophobicContact CE1-CG2 4.37Å; F106-I184 HydrophobicContact CZ-CG2 3.8Å; F106-L185 HydrophobicContact CZ-CD2 4.09Å; F106-L185 HydrophobicContact CZ-CG 4.48Å
107F98.3Very high94.3Very high0 Ų031.2 Ų31.20%018%0.183CC..EExtended strand (participates in β ladder)trans-79.5151.4165-71.3-83.1000110.8M1 K2 A3 L4 L41 V44 I46 F119 M122 L123 Y178 I179M1-F107 HydrophobicContact CE-CD2 4.49Å; M1-F107 HydrophobicContact CE-CE2 3.73Å; M1-F107 HydrophobicContact SD-CD2 4.15Å; M1-F107 HydrophobicContact SD-CE2 3.58Å; M1-F107 VanDerWaalsContact SD-CE2 3.58Å; M1-F107 HydrophobicContact SD-CZ 4.42Å; K2-F107 PolarHBondContact O-N 2.57Å; A3-F107 CarbonylContact C-O 3.55Å; A3-F107 WeakPolarHBondContact CA-O 3.2Å; A3-F107 HydrophobicContact CB-CB 4.13Å; L4-F107 PolarHBondContact N-O 2.97Å; L41-F107 HydrophobicContact CD2-CB 4.32Å; L41-F107 HydrophobicContact CD2-CD2 4.18Å; L41-F107 HydrophobicContact CD2-CG 4.35Å; V44-F107 HydrophobicContact CG2-CE2 4.13Å; I46-F107 HydrophobicContact CD1-CD2 3.86Å; I46-F107 HydrophobicContact CD1-CE2 4.25Å; F107-F119 HydrophobicContact CD1-CD1 4.03Å; F107-F119 HydrophobicContact CE1-CB 4.07Å; F107-F119 AromaticContact CE1-CD1 3.92Å; F107-F119 HydrophobicContact CE1-CD1 3.92Å; F107-F119 HydrophobicContact CE1-CG 4.31Å; F107-F119 HydrophobicContact CE2-CB 4.47Å; F107-F119 HydrophobicContact CZ-CB 3.85Å; F107-F119 HydrophobicContact CZ-CD1 4.48Å; F107-F119 HydrophobicContact CZ-CG 4.42Å; F107-M122 HydrophobicContact CE1-CB 4.24Å; F107-L123 HydrophobicContact CZ-CB 4.27Å; F107-Y178 CarbonylContact C-O 3.52Å; F107-Y178 VanDerWaalsContact CA-O 3.23Å; F107-Y178 WeakPolarHBondContact CA-O 3.47Å; F107-Y178 WeakPolarHBondContact CD1-O 3.47Å; F107-I179 HydrophobicContact CD1-CB 3.86Å; F107-I179 HydrophobicContact CD1-CD1 4.4Å; F107-I179 HydrophobicContact CD1-CG1 4.32Å; F107-I179 HydrophobicContact CE1-CB 3.91Å; F107-I179 HydrophobicContact CE1-CD1 3.86Å; F107-I179 HydrophobicContact CE1-CG1 4.24Å; F107-I179 HydrophobicContact CE2-CD1 4.28Å; F107-I179 HydrophobicContact CZ-CD1 3.79Å
108V97.3Very high94.5Very high0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-127.8135.4166.9-178.50000108.5L4 L6 L94 F106 Y178 F180L4-V108 HydrophobicContact CB-CG2 4.23Å; L4-V108 HydrophobicContact CD2-CG1 4.39Å; L4-V108 HydrophobicContact CD2-CG2 4.36Å; L4-V108 CarbonylContact O-C 3.37Å; L4-V108 VanDerWaalsContact O-CA 3.29Å; L4-V108 WeakPolarHBondContact O-CA 3.46Å; L6-V108 HydrophobicContact CD1-CG1 3.86Å; L6-V108 HydrophobicContact CD2-CG1 4.27Å; L6-V108 HydrophobicContact CG-CG1 3.95Å; L94-V108 HydrophobicContact CD1-CG1 4.18Å; L94-V108 HydrophobicContact CD2-CG2 4.47Å; F106-V108 HydrophobicContact CD2-CG2 3.56Å; F106-V108 HydrophobicContact CE2-CG2 3.42Å; F106-V108 VanDerWaalsContact CE2-CG2 3.42Å; V108-Y178 HydrophobicContact CB-CD2 3.8Å; V108-Y178 HydrophobicContact CB-CG 4.49Å; V108-Y178 HydrophobicContact CG1-CD2 3.92Å; V108-Y178 HydrophobicContact CG1-CE2 4.43Å; V108-Y178 PolarHBondContact N-O 3.23Å; V108-Y178 WeakPolarHBondContact O-CD2 3.43Å; V108-Y178 PolarHBondContact O-N 3.03Å; V108-F180 HydrophobicContact CB-CD2 4.38Å; V108-F180 HydrophobicContact CB-CE2 4.15Å; V108-F180 HydrophobicContact CG2-CD2 3.69Å; V108-F180 HydrophobicContact CG2-CE2 3.89Å
109L96.5Very high94.7Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-136132.3-171.8-53.2164.7000110.5L4 I5 L6 L41 F119 L177L4-L109 PolarHBondContact O-N 2.76Å; I5-L109 HydrophobicContact CD1-CD1 4.36Å; I5-L109 HydrophobicContact CG1-CB 4.39Å; I5-L109 HydrophobicContact CG1-CD1 3.83Å; L6-L109 WeakPolarHBondContact CB-O 3.48Å; L6-L109 PolarHBondContact N-O 3.13Å; L41-L109 HydrophobicContact CD1-CD1 3.62Å; L41-L109 HydrophobicContact CD2-CD1 4.05Å; L41-L109 HydrophobicContact CG-CD1 3.97Å; L109-F119 HydrophobicContact CD1-CZ 4.06Å; L109-F119 HydrophobicContact CD2-CE1 3.37Å; L109-F119 HydrophobicContact CD2-CZ 3.51Å; L109-F119 HydrophobicContact CG-CZ 4.46Å; L109-L177 HydrophobicContact CB-CD2 4.5Å; L109-L177 HydrophobicContact CD2-CB 4.28Å; L109-L177 HydrophobicContact CD2-CD2 3.39Å; L109-L177 HydrophobicContact CD2-CG 4.4Å
110N94.4Very high94.9Very high41 Ų4133.3 Ų33.322%0.21918%0.18CC..EExtended strand (participates in β ladder)trans-73.7125.5164.1-71.36.5000109.1Q37 D112 I113 G176Q37-N110 PolarHBondContact NE2-O 3.2Å; N110-D112 WeakPolarHBondContact CB-OD1 3.44Å; N110-D112 PolarHBondContact O-N 3Å; N110-D112 VanDerWaalsContact O-N 3.08Å; N110-I113 HydrophobicContact CB-CG1 3.84Å; N110-I113 PolarHBondContact O-N 3.13Å; N110-G176 PolarHBondContact N-O 3.05Å
111S93.2Very high95.1Very high6 Ų634.9 Ų34.94%0.04218%0.184CC..THydrogen-bonded Turntrans-67-10.1-174.8570000115L6 Q37L6-S111 WeakPolarHBondContact O-CB 3.4Å; L6-S111 PolarHBondContact O-N 2.92Å; L6-S111 VanDerWaalsContact O-N 3.17Å; L6-S111 PolarHBondContact O-OG 3.4Å; Q37-S111 VanDerWaalsContact NE2-C 3.29Å; Q37-S111 PolarHBondContact NE2-O 3.37Å
112D93.4Very high95.3Very high32 Ų3234.9 Ų34.917%0.17118%0.184CC..THydrogen-bonded Turntrans-98.61.5-178.955.2-1.2000115.6K23 M33 N110 I221K23-D112 HydrophobicContact CD-CB 3.96Å; K23-D112 IonicContact NZ-OD2 3.15Å; K23-D112 PolarHBondContact NZ-OD2 2.94Å; M33-D112 HydrophobicContact CE-CB 4.35Å; M33-D112 WeakPolarHBondContact CE-O 3.25Å; N110-D112 WeakPolarHBondContact CB-OD1 3.44Å; N110-D112 PolarHBondContact O-N 3Å; N110-D112 VanDerWaalsContact O-N 3.08Å; D112-I221 PolarHBondContact O-N 3.28Å
113I95.6Very high95.7Very high4 Ų432.2 Ų32.22%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-85.7131.4176.9-56.5-54.7000110.3Q37 N110 C115 Y117 L177 W218 D220Q37-I113 PolarHBondContact NE2-O 3.42Å; Q37-I113 VanDerWaalsContact NE2-O 3.1Å; N110-I113 HydrophobicContact CB-CG1 3.84Å; N110-I113 PolarHBondContact O-N 3.13Å; I113-C115 HydrophobicContact CG2-CB 4.32Å; I113-Y117 PolarHBondContact O-OH 2.87Å; I113-Y117 VanDerWaalsContact O-OH 3.09Å; I113-L177 HydrophobicContact CG2-CD2 4.33Å; I113-W218 HydrophobicContact CD1-CZ2 3.67Å; I113-D220 HydrophobicContact CD1-CB 3.86Å
114I96.9Very high96Very high1 Ų134.2 Ų34.21%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-119.4122.9167.5-65.1-64.9000109F28 M33 H36 F217 M219 I221F28-I114 HydrophobicContact CD1-CD1 4.34Å; F28-I114 HydrophobicContact CD1-CG1 4.29Å; F28-I114 HydrophobicContact CD1-CG2 3.96Å; F28-I114 HydrophobicContact CD2-CG1 4.3Å; F28-I114 HydrophobicContact CE1-CB 4.43Å; F28-I114 HydrophobicContact CE1-CG1 4.44Å; F28-I114 HydrophobicContact CE1-CG2 3.41Å; F28-I114 VanDerWaalsContact CE1-CG2 3.41Å; F28-I114 HydrophobicContact CE2-CG1 4.43Å; F28-I114 HydrophobicContact CE2-CG2 4.3Å; F28-I114 HydrophobicContact CG-CD1 4.43Å; F28-I114 HydrophobicContact CG-CG1 4.21Å; F28-I114 HydrophobicContact CZ-CB 4.31Å; F28-I114 HydrophobicContact CZ-CG1 4.47Å; F28-I114 HydrophobicContact CZ-CG2 3.57Å; M33-I114 HydrophobicContact CB-CD1 4.06Å; M33-I114 HydrophobicContact CE-CD1 4.43Å; M33-I114 HydrophobicContact CE-CG1 4.06Å; M33-I114 HydrophobicContact CG-CD1 4.03Å; M33-I114 HydrophobicContact CG-CG1 4.29Å; H36-I114 HydrophobicContact CB-CD1 4.29Å; I114-F217 HydrophobicContact CG2-CE2 3.84Å; I114-F217 HydrophobicContact CG2-CZ 4.26Å; I114-M219 PolarHBondContact N-O 3.37Å; I114-M219 PolarHBondContact O-N 2.91Å; I114-I221 HydrophobicContact CB-CD1 4.34Å; I114-I221 HydrophobicContact CB-CG1 4.1Å; I114-I221 HydrophobicContact CG1-CD1 4.35Å; I114-I221 HydrophobicContact CG1-CG1 3.71Å
115C96.7Very high96.3Very high4 Ų432.5 Ų32.53%0.02715%0.148CC..EExtended strand (participates in β ladder)trans-159-178.5-176.673.30000110.3I113 Y117 F214 F217 W218I113-C115 HydrophobicContact CG2-CB 4.32Å; C115-Y117 WeakPolarHBondContact O-CD2 3.34Å; C115-Y117 WeakPolarHBondContact O-CE2 3.24Å; C115-Y117 PolarHBondContact O-N 2.86Å; C115-Y117 WeakPolarHBondContact SG-CD1 3.19Å; C115-Y117 VanDerWaalsContact SG-CE1 3.53Å; C115-Y117 PolarHBondContact SG-N 2.91Å; C115-F214 HydrophobicContact CB-CE1 4.11Å; C115-F214 HydrophobicContact CB-CE2 3.8Å; C115-F214 HydrophobicContact CB-CZ 3.33Å; C115-F214 VanDerWaalsContact SG-CE2 3.52Å; C115-F214 VanDerWaalsContact SG-CZ 3.54Å; C115-F217 VanDerWaalsContact CA-CE2 3.42Å; C115-F217 VanDerWaalsContact CA-CZ 3.43Å; C115-F217 VanDerWaalsContact CA-O 3.27Å; C115-F217 WeakPolarHBondContact CA-O 3.13Å; C115-F217 VanDerWaalsContact CB-O 3.22Å; C115-F217 WeakPolarHBondContact CB-O 3.27Å; C115-F217 WeakPolarHBondContact O-CZ 3.49Å; C115-W218 HydrophobicContact CB-CB 4.3Å; C115-W218 HydrophobicContact CB-CG 4.49Å
116N93.5Very high96.3Very high45 Ų4529.4 Ų29.424%0.24114%0.136CC..  trans-84.513.5172.862.5-79.9000114.5F214 S215 G216 F217N116-F214 WeakPolarHBondContact OD1-CE1 3.47Å; N116-F214 WeakPolarHBondContact OD1-CZ 3.42Å; N116-S215 PolarHBondContact ND2-O 3.25Å; N116-S215 PolarHBondContact OD1-O 3.43Å; N116-S215 VanDerWaalsContact OD1-O 3.14Å; N116-G216 WeakPolarHBondContact OD1-CA 3.41Å; N116-F217 HydrophobicContact CB-CD1 4.14Å; N116-F217 HydrophobicContact CB-CE1 3.81Å; N116-F217 PolarHBondContact OD1-N 3.07Å; N116-F217 PolarHBondContact OD1-O 2.94Å
117Y95.1Very high96.3Very high25 Ų2533.8 Ų33.810%0.09816%0.159CC..  trans42.186.1170.8-53.9-70.2000116.1H36 Q37 A40 I113 C115 F119H36-Y117 HydrophobicContact CB-CE2 4.16Å; Q37-Y117 HydrophobicContact CB-CE1 4.44Å; Q37-Y117 HydrophobicContact CG-CE1 3.62Å; Q37-Y117 WeakPolarHBondContact CG-OH 3.23Å; A40-Y117 HydrophobicContact CB-CD2 3.39Å; A40-Y117 HydrophobicContact CB-CE2 4.23Å; A40-Y117 HydrophobicContact CB-CG 3.57Å; I113-Y117 PolarHBondContact O-OH 2.87Å; I113-Y117 VanDerWaalsContact O-OH 3.09Å; C115-Y117 WeakPolarHBondContact O-CD2 3.34Å; C115-Y117 WeakPolarHBondContact O-CE2 3.24Å; C115-Y117 PolarHBondContact O-N 2.86Å; C115-Y117 WeakPolarHBondContact SG-CD1 3.19Å; C115-Y117 VanDerWaalsContact SG-CE1 3.53Å; C115-Y117 PolarHBondContact SG-N 2.91Å; Y117-F119 HydrophobicContact CD1-CE1 4.22Å; Y117-F119 HydrophobicContact CD1-CE2 4.14Å; Y117-F119 AromaticContact CD1-CZ 3.58Å; Y117-F119 HydrophobicContact CD1-CZ 3.58Å; Y117-F119 HydrophobicContact CG-CE2 4.07Å; Y117-F119 AromaticContact CG-CZ 3.96Å; Y117-F119 HydrophobicContact CG-CZ 3.96Å; Y117-F119 PolarHBondContact O-N 2.76Å
118P94.8Very high96.3Very high16 Ų1638.1 Ų38.110%0.10419%0.19CC..  trans-80.939.7-174.534.8-37.6000113.2K120 R121 M122 F214P118-K120 PolarHBondContact O-N 2.9Å; P118-R121 HydrophobicContact CB-CB 4.43Å; P118-R121 PolarHBondContact O-N 3.44Å; P118-R121 VanDerWaalsContact O-N 3.1Å; P118-M122 HydrophobicContact CG-CG 4.16Å; P118-M122 HydrophobicContact CG-SD 4.08Å; P118-M122 WeakPolarHBondContact O-CG 3.34Å; P118-M122 PolarHBondContact O-N 3.43Å; P118-F214 HydrophobicContact CG-CD2 3.86Å; P118-F214 HydrophobicContact CG-CE2 3.67Å; P118-F214 HydrophobicContact CG-CZ 4.33Å
119F97Very high96.3Very high3 Ų339.7 Ų39.71%0.01320%0.197CC..Hα-helixtrans-58.5-42.1-168.6-62.3-36.3000113.7A40 L41 V44 F107 L109 Y117 R121 M122 L123A40-F119 HydrophobicContact CB-CD2 4.08Å; A40-F119 HydrophobicContact CB-CE2 3.64Å; L41-F119 HydrophobicContact CB-CE2 4.42Å; L41-F119 HydrophobicContact CD2-CD2 3.92Å; L41-F119 HydrophobicContact CD2-CE2 3.67Å; L41-F119 HydrophobicContact CD2-CG 4.49Å; L41-F119 HydrophobicContact CD2-CZ 4.07Å; L41-F119 HydrophobicContact CG-CD2 4.3Å; L41-F119 HydrophobicContact CG-CE2 3.72Å; L41-F119 HydrophobicContact CG-CZ 4.27Å; V44-F119 HydrophobicContact CG1-CB 3.9Å; V44-F119 HydrophobicContact CG2-CB 4.06Å; F107-F119 HydrophobicContact CD1-CD1 4.03Å; F107-F119 HydrophobicContact CE1-CB 4.07Å; F107-F119 AromaticContact CE1-CD1 3.92Å; F107-F119 HydrophobicContact CE1-CD1 3.92Å; F107-F119 HydrophobicContact CE1-CG 4.31Å; F107-F119 HydrophobicContact CE2-CB 4.47Å; F107-F119 HydrophobicContact CZ-CB 3.85Å; F107-F119 HydrophobicContact CZ-CD1 4.48Å; F107-F119 HydrophobicContact CZ-CG 4.42Å; L109-F119 HydrophobicContact CD1-CZ 4.06Å; L109-F119 HydrophobicContact CD2-CE1 3.37Å; L109-F119 HydrophobicContact CD2-CZ 3.51Å; L109-F119 HydrophobicContact CG-CZ 4.46Å; Y117-F119 HydrophobicContact CD1-CE1 4.22Å; Y117-F119 HydrophobicContact CD1-CE2 4.14Å; Y117-F119 AromaticContact CD1-CZ 3.58Å; Y117-F119 HydrophobicContact CD1-CZ 3.58Å; Y117-F119 HydrophobicContact CG-CE2 4.07Å; Y117-F119 AromaticContact CG-CZ 3.96Å; Y117-F119 HydrophobicContact CG-CZ 3.96Å; Y117-F119 PolarHBondContact O-N 2.76Å; F119-R121 PolarHBondContact O-N 3.32Å; F119-M122 HydrophobicContact CD1-SD 4.37Å; F119-M122 PolarHBondContact O-N 2.95Å; F119-L123 WeakPolarHBondContact O-CB 3.45Å; F119-L123 PolarHBondContact O-N 3.19Å
120K96.2Very high96.3Very high141 Ų14142.3 Ų42.361%0.61322%0.224SC*.Hα-helixtrans-59.6-48.3176.1-176.3174.8-180177.20111.8V44 P118 M122 L123 E124V44-K120 HydrophobicContact CG1-CB 4.16Å; P118-K120 PolarHBondContact O-N 2.9Å; K120-M122 VanDerWaalsContact C-N 3.35Å; K120-M122 PolarHBondContact O-N 2.91Å; K120-L123 PolarHBondContact O-N 2.75Å; K120-E124 WeakPolarHBondContact CE-OE1 3.45Å; K120-E124 WeakPolarHBondContact CG-OE1 3.4Å; K120-E124 WeakPolarHBondContact O-CG 3.29Å; K120-E124 PolarHBondContact O-N 2.89Å
121R96.5Very high96.5Very high107 Ų10743.6 Ų43.640%0.40423%0.228SC..Hα-helixtrans-64.6-39.3178.2-173.1-175.6174.1-143.9-11.1111.7P118 F119 F125 I212 E213 S215P118-R121 HydrophobicContact CB-CB 4.43Å; P118-R121 PolarHBondContact O-N 3.44Å; P118-R121 VanDerWaalsContact O-N 3.1Å; F119-R121 PolarHBondContact O-N 3.32Å; R121-F125 WeakPolarHBondContact O-CB 3.11Å; R121-F125 PolarHBondContact O-N 3.19Å; R121-I212 HydrophobicContact CG-CD1 3.76Å; R121-E213 PolarHBondContact NH1-O 3.12Å; R121-S215 PolarHBondContact NH1-OG 3.28Å
122M97.7Very high96.7Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-62.5-44.4174.9-72.1178.968.900111.4F107 P118 F119 K120 F125 H126 A136 L177 I179 I212F107-M122 HydrophobicContact CE1-CB 4.24Å; P118-M122 HydrophobicContact CG-CG 4.16Å; P118-M122 HydrophobicContact CG-SD 4.08Å; P118-M122 WeakPolarHBondContact O-CG 3.34Å; P118-M122 PolarHBondContact O-N 3.43Å; F119-M122 HydrophobicContact CD1-SD 4.37Å; F119-M122 PolarHBondContact O-N 2.95Å; K120-M122 VanDerWaalsContact C-N 3.35Å; K120-M122 PolarHBondContact O-N 2.91Å; M122-F125 PolarHBondContact O-N 3.34Å; M122-H126 WeakPolarHBondContact O-CB 3.19Å; M122-H126 PolarHBondContact O-N 3.41Å; M122-A136 HydrophobicContact CE-CB 4.04Å; M122-A136 HydrophobicContact SD-CB 4.08Å; M122-L177 HydrophobicContact CE-CB 4.13Å; M122-L177 HydrophobicContact SD-CB 4.25Å; M122-I179 HydrophobicContact CE-CG2 4.43Å; M122-I212 HydrophobicContact CG-CG2 3.95Å
123L97.6Very high97Very high34 Ų3443.3 Ų43.318%0.17823%0.225CC..Hα-helixtrans-63.1-48.6177.4176.262.8000111.7M1 F107 F119 K120 F125 H126 L127 I179M1-L123 HydrophobicContact CE-CD2 3.98Å; M1-L123 HydrophobicContact SD-CD1 3.96Å; M1-L123 HydrophobicContact SD-CD2 4.15Å; F107-L123 HydrophobicContact CZ-CB 4.27Å; F119-L123 WeakPolarHBondContact O-CB 3.45Å; F119-L123 PolarHBondContact O-N 3.19Å; K120-L123 PolarHBondContact O-N 2.75Å; L123-F125 VanDerWaalsContact C-N 3.32Å; L123-F125 PolarHBondContact O-N 3.32Å; L123-H126 PolarHBondContact O-N 3.15Å; L123-L127 HydrophobicContact CD1-CD1 3.97Å; L123-L127 HydrophobicContact CD1-CG 4.03Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 VanDerWaalsContact O-CG 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.22Å; L123-I179 HydrophobicContact CB-CD1 4.19Å; L123-I179 HydrophobicContact CD1-CD1 3.62Å
124E97.5Very high97.1Very high112 Ų11243.1 Ų43.152%0.52322%0.224SC..Hα-helixtrans-56.5-46.8177.7-73.4168.5-174.800111.5K120 S128K120-E124 WeakPolarHBondContact CE-OE1 3.45Å; K120-E124 WeakPolarHBondContact CG-OE1 3.4Å; K120-E124 WeakPolarHBondContact O-CG 3.29Å; K120-E124 PolarHBondContact O-N 2.89Å; E124-S128 PolarHBondContact O-N 2.96Å; E124-S128 VanDerWaalsContact O-N 3.09Å
125F98Very high97.2Very high47 Ų4743.1 Ų43.121%0.20622%0.224CC..Hα-helixtrans-65.9-42.9177.5179.1-103.6000112.4R121 M122 L123 L127 S128 H129 T134 Y210 C211 I212R121-F125 WeakPolarHBondContact O-CB 3.11Å; R121-F125 PolarHBondContact O-N 3.19Å; M122-F125 PolarHBondContact O-N 3.34Å; L123-F125 VanDerWaalsContact C-N 3.32Å; L123-F125 PolarHBondContact O-N 3.32Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 PolarHBondContact O-N 3.32Å; F125-S128 WeakPolarHBondContact O-CB 3.48Å; F125-S128 PolarHBondContact O-N 3.34Å; F125-S128 VanDerWaalsContact O-N 3.09Å; F125-S128 PolarHBondContact O-OG 2.98Å; F125-H129 AromaticContact CE1-CD2 3.8Å; F125-H129 PolarHBondContact O-CD2 3.19Å; F125-H129 PolarHBondContact O-N 3.31Å; F125-T134 HydrophobicContact CD1-CG2 3.61Å; F125-T134 HydrophobicContact CE1-CG2 3.89Å; F125-Y210 HydrophobicContact CZ-CD1 4.26Å; F125-C211 WeakPolarHBondContact CE1-O 3.46Å; F125-I212 HydrophobicContact CB-CD1 3.8Å; F125-I212 HydrophobicContact CD1-CB 3.93Å; F125-I212 HydrophobicContact CD1-CD1 4.36Å; F125-I212 HydrophobicContact CE1-CB 4.17Å; F125-I212 HydrophobicContact CG-CB 4.36Å; F125-I212 HydrophobicContact CG-CD1 3.98Å
126H98.3Very high97.2Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-58.4-46.7177.8-176.975.7000111.9R105 M122 L123 S128 H129 G130 K131 T134 I179 E181R105-H126 PolarHBondContact NE-CD2 2.73Å; M122-H126 WeakPolarHBondContact O-CB 3.19Å; M122-H126 PolarHBondContact O-N 3.41Å; L123-H126 PolarHBondContact O-N 3.15Å; H126-S128 VanDerWaalsContact C-N 3.27Å; H126-S128 PolarHBondContact O-N 3.25Å; H126-H129 WeakPolarHBondContact CA-NE2 3.46Å; H126-H129 AromaticContact ND1-CE1 3.78Å; H126-H129 AromaticContact ND1-NE2 3.9Å; H126-H129 PolarHBondContact O-N 3.13Å; H126-G130 PolarHBondContact O-N 2.96Å; H126-K131 PolarHBondContact CE1-O 3.24Å; H126-T134 WeakPolarHBondContact CA-OG1 3.33Å; H126-T134 VanDerWaalsContact CB-OG1 3.31Å; H126-T134 WeakPolarHBondContact CB-OG1 3.37Å; H126-T134 PolarHBondContact ND1-OG1 3.34Å; H126-I179 HydrophobicContact CB-CD1 4.23Å; H126-I179 HydrophobicContact CB-CG2 3.69Å; H126-E181 IonicContact CD2-OE1 3.77Å; H126-E181 IonicContact NE2-OE1 3.06Å; H126-E181 PolarHBondContact NE2-OE1 2.89Å
127L97.9Very high97.4Very high92 Ų9240.8 Ų40.848%0.48221%0.211SC..Hα-helixtrans-63.6-32.2176.1-68.2174.8000112.4L123 F125 H129L123-L127 HydrophobicContact CD1-CD1 3.97Å; L123-L127 HydrophobicContact CD1-CG 4.03Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 VanDerWaalsContact O-CG 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.22Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 PolarHBondContact O-N 3.32Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-H129 PolarHBondContact O-N 3.11Å
128S98Very high97.5Very high91 Ų9140.5 Ų40.564%0.63621%0.212SC*.Hα-helixtrans-67.1-31.4-178.779.10000114E124 F125 H126E124-S128 PolarHBondContact O-N 2.96Å; E124-S128 VanDerWaalsContact O-N 3.09Å; F125-S128 WeakPolarHBondContact O-CB 3.48Å; F125-S128 PolarHBondContact O-N 3.34Å; F125-S128 VanDerWaalsContact O-N 3.09Å; F125-S128 PolarHBondContact O-OG 2.98Å; H126-S128 VanDerWaalsContact C-N 3.27Å; H126-S128 PolarHBondContact O-N 3.25Å
129H97.7Very high97.4Very high32 Ų3244.4 Ų44.415%0.14823%0.227CC..Hα-helixtrans-100.9-22.8178.169.370.6000113.2F125 H126 L127 K131 T134 Y210F125-H129 AromaticContact CE1-CD2 3.8Å; F125-H129 PolarHBondContact O-CD2 3.19Å; F125-H129 PolarHBondContact O-N 3.31Å; H126-H129 WeakPolarHBondContact CA-NE2 3.46Å; H126-H129 AromaticContact ND1-CE1 3.78Å; H126-H129 AromaticContact ND1-NE2 3.9Å; H126-H129 PolarHBondContact O-N 3.13Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-H129 PolarHBondContact O-N 3.11Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 VanDerWaalsContact ND1-CB 3.31Å; H129-K131 WeakPolarHBondContact ND1-CB 3.22Å; H129-K131 PolarHBondContact ND1-N 3.47Å; H129-K131 PolarHBondContact O-N 2.85Å; H129-T134 PolarHBondContact NE2-OG1 3.44Å; H129-Y210 HydrophobicContact CB-CD1 4.05Å; H129-Y210 HydrophobicContact CB-CE1 3.93Å; H129-Y210 HydrophobicContact CB-CG 4.42Å; H129-Y210 AromaticContact CD2-CD1 3.87Å; H129-Y210 AromaticContact CD2-CG 3.73Å; H129-Y210 AromaticContact CE1-CG 3.99Å; H129-Y210 AromaticContact CG-CD1 3.89Å; H129-Y210 AromaticContact CG-CG 3.82Å; H129-Y210 AromaticContact ND1-CD2 3.84Å; H129-Y210 AromaticContact ND1-CG 3.96Å; H129-Y210 WeakPolarHBondContact NE2-CB 3.44Å; H129-Y210 AromaticContact NE2-CG 3.83Å
130G96.7Very high97.1Very high56 Ų5645.7 Ų45.758%0.57724%0.235SC*.THydrogen-bonded Turntrans62.632.4171.200000114.9H126H126-G130 PolarHBondContact O-N 2.96Å
131K98.4Very high96.7Very high68 Ų6848.5 Ų48.530%0.29625%0.25SS..SBendtrans-105.8170.5-179.6-59.7-47.6-147.2142.70111.4H126 H129 G133 E208 Y210H126-K131 PolarHBondContact CE1-O 3.24Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 VanDerWaalsContact ND1-CB 3.31Å; H129-K131 WeakPolarHBondContact ND1-CB 3.22Å; H129-K131 PolarHBondContact ND1-N 3.47Å; H129-K131 PolarHBondContact O-N 2.85Å; K131-G133 PolarHBondContact O-N 3.1Å; K131-G133 VanDerWaalsContact O-N 3.11Å; K131-E208 WeakPolarHBondContact CA-OE2 3.26Å; K131-E208 VanDerWaalsContact CB-OE2 3.27Å; K131-E208 WeakPolarHBondContact CB-OE2 3.49Å; K131-E208 WeakPolarHBondContact CD-OE2 3.27Å; K131-E208 IonicContact NZ-OE1 2.81Å; K131-E208 PolarHBondContact NZ-OE1 2.84Å; K131-Y210 HydrophobicContact CB-CD2 4.11Å; K131-Y210 HydrophobicContact CB-CE2 4.1Å; K131-Y210 HydrophobicContact CG-CD2 4.03Å; K131-Y210 HydrophobicContact CG-CE2 3.53Å
132E98Very high96.2Very high32 Ų3248.8 Ų48.815%0.1526%0.256CS..SBendtrans-59.5-28.2-171.7-62.1-167.5134.300114.8F180 E181 T183 R187 M203 E208E132-F180 WeakPolarHBondContact O-CA 3.12Å; E132-E181 PolarHBondContact O-N 3.04Å; E132-T183 WeakPolarHBondContact CG-OG1 3.31Å; E132-T183 VanDerWaalsContact OE1-CB 3.23Å; E132-T183 WeakPolarHBondContact OE1-CB 3.07Å; E132-T183 PolarHBondContact OE1-OG1 3.34Å; E132-R187 IonicContact OE2-CZ 3.25Å; E132-R187 IonicContact OE2-NE 2.9Å; E132-R187 PolarHBondContact OE2-NE 2.91Å; E132-R187 IonicContact OE2-NH2 3.46Å; E132-R187 PolarHBondContact OE2-NH2 2.88Å; E132-M203 HydrophobicContact CB-CE 3.9Å; E132-E208 HydrophobicContact CB-CB 4.08Å; E132-E208 HydrophobicContact CG-CB 4.06Å; E132-E208 HydrophobicContact CG-CG 4.11Å; E132-E208 WeakPolarHBondContact CG-OE2 3.39Å; E132-E208 PolarHBondContact N-O 3.25Å; E132-E208 PolarHBondContact N-OE2 3.16Å
133G98.5Very high95.8Very high0 Ų049.2 Ų49.20%026%0.26CS..EExtended strand (participates in β ladder)trans-153.9151.6-17800000117.3K131 I179 E208 Y210K131-G133 PolarHBondContact O-N 3.1Å; K131-G133 VanDerWaalsContact O-N 3.11Å; G133-I179 WeakPolarHBondContact CA-O 3.32Å; G133-E208 PolarHBondContact N-O 3.03Å; G133-Y210 PolarHBondContact O-N 3.34Å
134T98.6Very high95.4Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-126.4134.2165.5-49.80000109.8F125 H126 H129 Y178 I179 Y210 I212F125-T134 HydrophobicContact CD1-CG2 3.61Å; F125-T134 HydrophobicContact CE1-CG2 3.89Å; H126-T134 WeakPolarHBondContact CA-OG1 3.33Å; H126-T134 VanDerWaalsContact CB-OG1 3.31Å; H126-T134 WeakPolarHBondContact CB-OG1 3.37Å; H126-T134 PolarHBondContact ND1-OG1 3.34Å; H129-T134 PolarHBondContact NE2-OG1 3.44Å; T134-Y178 CarbonylContact O-C 3.46Å; T134-Y178 WeakPolarHBondContact O-CA 3.31Å; T134-I179 HydrophobicContact CG2-CG2 4.41Å; T134-I179 PolarHBondContact N-O 3.2Å; T134-I179 PolarHBondContact O-N 2.92Å; T134-Y210 CarbonylContact C-O 3.56Å; T134-Y210 VanDerWaalsContact CA-O 3.24Å; T134-Y210 WeakPolarHBondContact CA-O 3.31Å; T134-I212 HydrophobicContact CG2-CG2 4.06Å
135M98Very high94.9Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-111.3142.4168.960.1175.539.200112.1V137 V149 F161 Y178 F200 L209 Y210 C211 I212M135-V137 HydrophobicContact CG-CG1 4.32Å; M135-V137 HydrophobicContact SD-CG1 4.39Å; M135-V149 HydrophobicContact SD-CG1 4.29Å; M135-V149 HydrophobicContact SD-CG2 4Å; M135-F161 HydrophobicContact CE-CD2 4.05Å; M135-F161 HydrophobicContact CE-CE2 4.04Å; M135-F161 HydrophobicContact SD-CD2 4.18Å; M135-F161 HydrophobicContact SD-CE2 4.38Å; M135-Y178 HydrophobicContact CB-CD1 3.7Å; M135-Y178 HydrophobicContact CB-CE1 4.17Å; M135-Y178 HydrophobicContact CE-CE1 4.34Å; M135-F200 HydrophobicContact CE-CD1 3.94Å; M135-F200 HydrophobicContact CE-CD2 3.59Å; M135-F200 HydrophobicContact CE-CE1 3.9Å; M135-F200 HydrophobicContact CE-CE2 3.54Å; M135-F200 HydrophobicContact CE-CG 3.8Å; M135-F200 HydrophobicContact CE-CZ 3.7Å; M135-L209 HydrophobicContact CE-CD1 4.12Å; M135-L209 HydrophobicContact CE-CD2 3.63Å; M135-L209 HydrophobicContact CE-CG 4.33Å; M135-L209 HydrophobicContact CG-CD1 4.3Å; M135-L209 HydrophobicContact SD-CD2 4.14Å; M135-Y210 PolarHBondContact N-O 2.68Å; M135-C211 HydrophobicContact CG-CB 3.69Å; M135-C211 CarbonylContact O-C 3.57Å; M135-C211 WeakPolarHBondContact O-CA 3.04Å; M135-C211 WeakPolarHBondContact O-CB 3.14Å; M135-I212 PolarHBondContact O-N 3.36Å
136A97.9Very high94.6Very high0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-76.4138.9166.400000109.8M122 A175 L177 I212M122-A136 HydrophobicContact CE-CB 4.04Å; M122-A136 HydrophobicContact SD-CB 4.08Å; A136-A175 HydrophobicContact CB-CB 3.98Å; A136-A175 VanDerWaalsContact O-CB 3.3Å; A136-A175 WeakPolarHBondContact O-CB 3.3Å; A136-A175 PolarHBondContact O-N 2.85Å; A136-L177 HydrophobicContact CB-CB 4Å; A136-L177 HydrophobicContact CB-CD1 4.42Å; A136-L177 PolarHBondContact N-O 3.07Å; A136-I212 WeakPolarHBondContact CA-O 3.19Å
137V97.6Very high94.5Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-126.4148.2174.2-63.20000111M135 V149 I173 C211 I212 E213 F214M135-V137 HydrophobicContact CG-CG1 4.32Å; M135-V137 HydrophobicContact SD-CG1 4.39Å; V137-V149 HydrophobicContact CG1-CB 3.93Å; V137-V149 HydrophobicContact CG1-CG1 4.05Å; V137-V149 HydrophobicContact CG1-CG2 3.76Å; V137-I173 CarbonylContact C-O 3.46Å; V137-I173 WeakPolarHBondContact CA-O 3.46Å; V137-I173 WeakPolarHBondContact CB-O 3.37Å; V137-C211 HydrophobicContact CG1-CB 3.77Å; V137-C211 HydrophobicContact CG2-CB 4.2Å; V137-I212 PolarHBondContact N-O 2.77Å; V137-E213 HydrophobicContact CG2-CB 4.43Å; V137-E213 CarbonylContact O-C 3.5Å; V137-E213 WeakPolarHBondContact O-CA 3.49Å; V137-F214 VanDerWaalsContact O-CB 3.27Å; V137-F214 WeakPolarHBondContact O-CB 3.43Å; V137-F214 PolarHBondContact O-N 2.93Å
138T95.8Very high94.4Very high19 Ų1946 Ų4612%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-131.6157.9175-171.20000110.9V140 R172 I173 A175 W218T138-V140 HydrophobicContact CG2-CG1 4.24Å; T138-R172 CarbonylContact O-C 3.55Å; T138-R172 VanDerWaalsContact O-CA 3.31Å; T138-R172 WeakPolarHBondContact O-CA 3.32Å; T138-I173 HydrophobicContact CG2-CD1 3.57Å; T138-I173 HydrophobicContact CG2-CG1 4.01Å; T138-I173 PolarHBondContact N-O 3.09Å; T138-I173 PolarHBondContact O-N 3.1Å; T138-A175 HydrophobicContact CG2-CB 4.35Å; T138-W218 HydrophobicContact CG2-CD2 3.74Å; T138-W218 HydrophobicContact CG2-CE3 3.79Å; T138-W218 HydrophobicContact CG2-CG 4.07Å; T138-W218 HydrophobicContact CG2-CZ3 4.27Å
139K94Very high94.4Very high98 Ų9841.8 Ų41.843%0.42622%0.215SC..EExtended strand (participates in β ladder)trans-88.6133.4174.8-73.6173.3178.6139.70109.9N171 R172 E213K139-N171 WeakPolarHBondContact CA-O 3.47Å; K139-R172 HydrophobicContact CG-CG 3.76Å; K139-E213 VanDerWaalsContact CE-OE1 3.25Å; K139-E213 WeakPolarHBondContact CE-OE1 3.4Å; K139-E213 IonicContact NZ-OE1 2.7Å; K139-E213 PolarHBondContact NZ-OE1 3.42Å; K139-E213 IonicContact NZ-OE2 3.69Å; K139-E213 PolarHBondContact NZ-OE2 2.94Å
140V91.2Very high94.3Very high31 Ų3142.7 Ų42.719%0.18822%0.222CC..  trans-132.3153.5174.2-61.20000110.1T138 P143 Y146 N171 I173 W218T138-V140 HydrophobicContact CG2-CG1 4.24Å; V140-P143 HydrophobicContact CG2-CB 4.05Å; V140-Y146 HydrophobicContact CG2-CD2 4.44Å; V140-N171 PolarHBondContact N-O 2.89Å; V140-I173 HydrophobicContact CB-CG1 4.39Å; V140-I173 HydrophobicContact CG1-CD1 4.29Å; V140-I173 HydrophobicContact CG1-CG1 3.75Å; V140-I173 HydrophobicContact CG2-CB 4.34Å; V140-I173 HydrophobicContact CG2-CG1 3.7Å; V140-I173 HydrophobicContact CG2-CG2 3.64Å; V140-W218 HydrophobicContact CG1-CZ3 4.47Å
141E86.9Confident94.4Very high199 Ų19941 Ų4193%0.9320%0.2SC*.SBendtrans-70.4-40.2175-65.2-177171.300111.5P143E141-P143 WeakPolarHBondContact O-CD 3.13Å
142E87Confident94.3Very high113 Ų11339.9 Ų39.953%0.52820%0.197SC..  trans-115.792-177.6-174.557.1-130.300111S144E142-S144 VanDerWaalsContact OE1-CB 3.24Å; E142-S144 WeakPolarHBondContact OE1-CB 3.48Å; E142-S144 PolarHBondContact OE1-OG 2.95Å
143P88Confident94.1Very high10 Ų1043.9 Ų43.97%0.06522%0.219CC..G310 helixtrans-82-10.3-174.432.1-36.1000114.5V140 E141 K145 Y146 Y168 A170 I173V140-P143 HydrophobicContact CG2-CB 4.05Å; E141-P143 WeakPolarHBondContact O-CD 3.13Å; P143-K145 PolarHBondContact O-N 3.27Å; P143-Y146 PolarHBondContact O-N 3.15Å; P143-Y168 HydrophobicContact CG-CD2 4.21Å; P143-Y168 HydrophobicContact CG-CE2 4.29Å; P143-A170 WeakPolarHBondContact CB-O 3.09Å; P143-A170 WeakPolarHBondContact CG-O 3.45Å; P143-I173 HydrophobicContact CB-CG2 3.57Å
144S88.6Confident94Very high50 Ų5052.5 Ų52.535%0.3526%0.259SS..G310 helixtrans-58.2-23.9-171.258.70000115E142 Y146E142-S144 VanDerWaalsContact OE1-CB 3.24Å; E142-S144 WeakPolarHBondContact OE1-CB 3.48Å; E142-S144 PolarHBondContact OE1-OG 2.95Å; S144-Y146 VanDerWaalsContact C-N 3.32Å
145K87.9Confident93.9Very high124 Ų12455.4 Ų55.454%0.53928%0.277SS..G310 helixtrans-83.3-6.5179.9-61.9177.8-175.8172.30113.7P143 K164P143-K145 PolarHBondContact O-N 3.27Å; K145-K164 VanDerWaalsContact O-CE 3.25Å; K145-K164 WeakPolarHBondContact O-CE 3.47Å
146Y92.6Very high93.9Very high42 Ų4255.8 Ų55.817%0.16528%0.281CS..SBendtrans-132.4169.1-167.7-53.5-76.1000112.5V140 P143 S144 A148 K164 I173 W218 D220V140-Y146 HydrophobicContact CG2-CD2 4.44Å; P143-Y146 PolarHBondContact O-N 3.15Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; Y146-A148 PolarHBondContact O-N 3.37Å; Y146-K164 WeakPolarHBondContact O-CA 3.46Å; Y146-K164 PolarHBondContact O-N 3.44Å; Y146-I173 HydrophobicContact CD1-CD1 4.25Å; Y146-I173 HydrophobicContact CD2-CD1 4.32Å; Y146-I173 HydrophobicContact CD2-CG1 4.17Å; Y146-I173 HydrophobicContact CD2-CG2 4.42Å; Y146-I173 HydrophobicContact CG-CB 4.26Å; Y146-I173 HydrophobicContact CG-CD1 3.98Å; Y146-I173 HydrophobicContact CG-CG1 4.14Å; Y146-I173 HydrophobicContact CG-CG2 4.49Å; Y146-W218 HydrophobicContact CD1-CH2 4.39Å; Y146-W218 AromaticContact CE1-CH2 3.84Å; Y146-W218 HydrophobicContact CE1-CH2 3.84Å; Y146-D220 HydrophobicContact CE1-CB 4.24Å
147G94.6Very high93.9Very high2 Ų257.7 Ų57.72%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-75115.5170.900000111.9V162 E163 I173 N174G147-V162 CarbonylContact C-O 3.54Å; G147-V162 WeakPolarHBondContact CA-O 3.22Å; G147-E163 WeakPolarHBondContact CA-OE2 3.25Å; G147-E163 PolarHBondContact N-OE2 3.33Å; G147-I173 CarbonylContact O-C 3.49Å; G147-I173 WeakPolarHBondContact O-CA 3.38Å; G147-N174 PolarHBondContact O-N 3.49Å
148A96.3Very high93.9Very high0 Ų057.8 Ų57.80%029%0.291CS..EExtended strand (participates in β ladder)trans-80138.6178.800000111.5Y146 F161 V162 P165 V169 R172Y146-A148 PolarHBondContact O-N 3.37Å; A148-F161 WeakPolarHBondContact O-CA 3.47Å; A148-V162 PolarHBondContact N-O 3.07Å; A148-V162 PolarHBondContact O-N 2.96Å; A148-P165 HydrophobicContact CB-CG 3.98Å; A148-V169 HydrophobicContact CB-CB 3.97Å; A148-V169 HydrophobicContact CB-CG1 4.2Å; A148-R172 WeakPolarHBondContact CA-O 3.35Å
149V97.5Very high94Very high2 Ų263 Ų631%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-124.6117.6-174-170.50000110.9M135 V137 V158 F161 R172M135-V149 HydrophobicContact SD-CG1 4.29Å; M135-V149 HydrophobicContact SD-CG2 4Å; V137-V149 HydrophobicContact CG1-CB 3.93Å; V137-V149 HydrophobicContact CG1-CG1 4.05Å; V137-V149 HydrophobicContact CG1-CG2 3.76Å; V149-V158 HydrophobicContact CG1-CG1 3.78Å; V149-V158 HydrophobicContact CG1-CG2 3.96Å; V149-F161 HydrophobicContact CG2-CD2 3.9Å; V149-F161 HydrophobicContact CG2-CE2 4.14Å; V149-R172 PolarHBondContact N-O 3.02Å
150V97.3Very high94.1Very high50 Ų5065.4 Ų65.430%0.30332%0.319SS..EExtended strand (participates in β ladder)trans-101.4126.7168.9-174.90000108K159 R160 V169 A170V150-K159 PolarHBondContact O-N 3.33Å; V150-R160 HydrophobicContact CB-CB 4.01Å; V150-R160 HydrophobicContact CG2-CB 4.24Å; V150-R160 PolarHBondContact N-O 2.81Å; V150-R160 PolarHBondContact O-N 2.88Å; V150-R160 VanDerWaalsContact O-N 3.09Å; V150-V169 HydrophobicContact CG2-CG1 3.75Å; V150-A170 HydrophobicContact CG2-CB 4.19Å
151H97.5Very high94.4Very high22 Ų2264.6 Ų64.610%0.10231%0.313CS..EExtended strand (participates in β ladder)trans-139.7170.1-17866.9-90.8000112D153 L157 R172 C211H151-D153 IonicContact NE2-OD1 3.83Å; H151-L157 CarbonylContact C-O 3.51Å; H151-L157 WeakPolarHBondContact CA-O 3.34Å; H151-L157 WeakPolarHBondContact CB-O 3.41Å; H151-R172 WeakPolarHBondContact CE1-CD 3.28Å; H151-C211 WeakPolarHBondContact CB-SG 3.33Å; H151-C211 PolarHBondContact ND1-SG 3.26Å; H151-C211 VanDerWaalsContact ND1-SG 3.41Å
152N97Very high94.8Very high44 Ų4456.8 Ų56.824%0.23528%0.279CS..  trans-80.2111.9168.6-176.9-29.6000109.5Q154 T155 G156 L157N152-Q154 PolarHBondContact O-N 3.08Å; N152-Q154 VanDerWaalsContact O-N 3.07Å; N152-Q154 WeakPolarHBondContact OD1-CB 3.28Å; N152-Q154 PolarHBondContact OD1-N 2.93Å; N152-T155 WeakPolarHBondContact CB-OG1 3.49Å; N152-T155 PolarHBondContact O-N 2.92Å; N152-G156 WeakPolarHBondContact O-CA 3.4Å; N152-G156 PolarHBondContact O-N 3.28Å; N152-L157 HydrophobicContact CB-CB 4.45Å; N152-L157 PolarHBondContact N-O 3.04Å
153D94Very high95.2Very high115 Ų11553.6 Ų53.662%0.61526%0.264SS*.THydrogen-bonded Turntrans-59.3-21.9-177.9-64.7-64.5000113.8H151 R172H151-D153 IonicContact NE2-OD1 3.83Å; D153-R172 IonicContact OD1-CZ 2.77Å; D153-R172 IonicContact OD1-NH1 2.85Å; D153-R172 IonicContact OD1-NH2 2.74Å; D153-R172 PolarHBondContact OD1-NH2 2.71Å
154Q94.9Very high95.3Very high182 Ų18259 Ų5985%0.8529%0.286SS*.THydrogen-bonded Turntrans-82.4-35.5178.8-63.4-179.9-10.300113.3N152N152-Q154 PolarHBondContact O-N 3.08Å; N152-Q154 VanDerWaalsContact O-N 3.07Å; N152-Q154 WeakPolarHBondContact OD1-CB 3.28Å; N152-Q154 PolarHBondContact OD1-N 2.93Å
155T97Very high95.3Very high61 Ų6157.4 Ų57.437%0.37428%0.275SS..THydrogen-bonded Turntrans-112.3-19.1-172.764.40000113.6N152 L157 Y210N152-T155 WeakPolarHBondContact CB-OG1 3.49Å; N152-T155 PolarHBondContact O-N 2.92Å; T155-L157 PolarHBondContact O-N 2.83Å; T155-L157 WeakPolarHBondContact OG1-CB 3.02Å; T155-L157 PolarHBondContact OG1-N 2.7Å; T155-Y210 VanDerWaalsContact O-CD1 3.29Å; T155-Y210 WeakPolarHBondContact O-CD1 3.48Å; T155-Y210 WeakPolarHBondContact O-CE1 3.07Å
156G97.5Very high95.3Very high8 Ų857.7 Ų57.78%0.08229%0.292CS..  trans75.31.5-168.800000114.5N152 V158 Y210 C211N152-G156 WeakPolarHBondContact O-CA 3.4Å; N152-G156 PolarHBondContact O-N 3.28Å; G156-V158 PolarHBondContact O-N 2.92Å; G156-Y210 CarbonylContact O-C 3.41Å; G156-Y210 VanDerWaalsContact O-CA 3.3Å; G156-Y210 WeakPolarHBondContact O-CA 3.39Å; G156-C211 WeakPolarHBondContact CA-O 3Å; G156-C211 PolarHBondContact O-N 3.17Å
157L98.5Very high95.1Very high39 Ų3963 Ų6320%0.20432%0.319CS..BIsolated β-bridgetrans-60.6122.3177.9175.565000110.2H151 N152 T155 K159 Y210H151-L157 CarbonylContact C-O 3.51Å; H151-L157 WeakPolarHBondContact CA-O 3.34Å; H151-L157 WeakPolarHBondContact CB-O 3.41Å; N152-L157 HydrophobicContact CB-CB 4.45Å; N152-L157 PolarHBondContact N-O 3.04Å; T155-L157 PolarHBondContact O-N 2.83Å; T155-L157 WeakPolarHBondContact OG1-CB 3.02Å; T155-L157 PolarHBondContact OG1-N 2.7Å; L157-K159 PolarHBondContact O-N 3.29Å; L157-Y210 HydrophobicContact CB-CD1 4.32Å; L157-Y210 HydrophobicContact CB-CE1 3.91Å; L157-Y210 HydrophobicContact CB-CE2 4.41Å; L157-Y210 HydrophobicContact CD1-CD2 4.06Å; L157-Y210 HydrophobicContact CD1-CE2 3.51Å
158V98.4Very high94.9Very high2 Ų270.9 Ų70.91%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-73.9123.7178.1-177.80000109.1V149 G156 V204 L209 C211V149-V158 HydrophobicContact CG1-CG1 3.78Å; V149-V158 HydrophobicContact CG1-CG2 3.96Å; G156-V158 PolarHBondContact O-N 2.92Å; V158-V204 HydrophobicContact CB-CG2 4.01Å; V158-V204 HydrophobicContact CG1-CG2 3.55Å; V158-L209 HydrophobicContact CB-CD2 4.34Å; V158-L209 HydrophobicContact CB-CG 4.27Å; V158-L209 WeakPolarHBondContact CB-O 3.24Å; V158-L209 HydrophobicContact CG1-CD2 4.45Å; V158-L209 HydrophobicContact CG2-CD2 4.27Å; V158-L209 HydrophobicContact CG2-CG 3.98Å; V158-L209 PolarHBondContact N-O 2.79Å; V158-C211 HydrophobicContact CG2-CB 3.81Å
159K97.9Very high94.4Very high130 Ų13072.8 Ų72.857%0.56536%0.36SS*.EExtended strand (participates in β ladder)trans-94.4-30.7178.7-63.4-176.9179.9177.80112.2V150 L157 V204V150-K159 PolarHBondContact O-N 3.33Å; L157-K159 PolarHBondContact O-N 3.29Å; K159-V204 VanDerWaalsContact O-CG1 3.31Å; K159-V204 WeakPolarHBondContact O-CG1 3.19Å
160R96.4Very high94.1Very high147 Ų14773.3 Ų73.356%0.55537%0.365SS*.EExtended strand (participates in β ladder)trans-155.3134.7-179.8-164.2177.1174.8172.8-3.4109.9V150 V162V150-R160 HydrophobicContact CB-CB 4.01Å; V150-R160 HydrophobicContact CG2-CB 4.24Å; V150-R160 PolarHBondContact N-O 2.81Å; V150-R160 PolarHBondContact O-N 2.88Å; V150-R160 VanDerWaalsContact O-N 3.09Å; R160-V162 HydrophobicContact CG-CG2 3.9Å
161F97.1Very high93.8Very high15 Ų1573.7 Ų73.77%0.06637%0.365CS..EExtended strand (participates in β ladder)trans-120.2131.7169.3-179.1-83.4000107.9M135 A148 V149 E163 N174 E196 F200 V204M135-F161 HydrophobicContact CE-CD2 4.05Å; M135-F161 HydrophobicContact CE-CE2 4.04Å; M135-F161 HydrophobicContact SD-CD2 4.18Å; M135-F161 HydrophobicContact SD-CE2 4.38Å; A148-F161 WeakPolarHBondContact O-CA 3.47Å; V149-F161 HydrophobicContact CG2-CD2 3.9Å; V149-F161 HydrophobicContact CG2-CE2 4.14Å; F161-E163 HydrophobicContact CE1-CB 4.11Å; F161-N174 HydrophobicContact CE2-CB 4.06Å; F161-E196 VanDerWaalsContact CD1-O 3.28Å; F161-E196 WeakPolarHBondContact CD1-O 3.37Å; F161-E196 HydrophobicContact CE1-CB 3.79Å; F161-E196 HydrophobicContact CE1-CG 4.46Å; F161-E196 WeakPolarHBondContact CE1-O 3.46Å; F161-E196 HydrophobicContact CZ-CB 4.03Å; F161-E196 HydrophobicContact CZ-CG 4.19Å; F161-F200 HydrophobicContact CB-CB 4.43Å; F161-F200 HydrophobicContact CD1-CB 4.05Å; F161-F200 HydrophobicContact CD1-CD2 4.31Å; F161-F200 HydrophobicContact CD2-CB 4.37Å; F161-F200 HydrophobicContact CD2-CD2 4.08Å; F161-F200 HydrophobicContact CE1-CB 4.49Å; F161-F200 AromaticContact CE1-CD2 3.98Å; F161-F200 HydrophobicContact CE1-CD2 3.98Å; F161-F200 AromaticContact CE2-CD2 3.7Å; F161-F200 HydrophobicContact CE2-CD2 3.7Å; F161-F200 HydrophobicContact CE2-CE2 4.26Å; F161-F200 HydrophobicContact CG-CB 4.01Å; F161-F200 HydrophobicContact CG-CD2 4.39Å; F161-F200 AromaticContact CZ-CD2 3.66Å; F161-F200 HydrophobicContact CZ-CD2 3.66Å; F161-F200 HydrophobicContact CZ-CE2 4.26Å; F161-V204 HydrophobicContact CB-CG2 4.27Å
162V94.6Very high93.8Very high34 Ų3475 Ų7521%0.20637%0.369CS..EExtended strand (participates in β ladder)trans-136.1113.8177.7-168.20000109.3G147 A148 R160 K164 P165 V169G147-V162 CarbonylContact C-O 3.54Å; G147-V162 WeakPolarHBondContact CA-O 3.22Å; A148-V162 PolarHBondContact N-O 3.07Å; A148-V162 PolarHBondContact O-N 2.96Å; R160-V162 HydrophobicContact CG-CG2 3.9Å; V162-K164 PolarHBondContact O-N 3.4Å; V162-P165 HydrophobicContact CB-CB 4.35Å; V162-P165 HydrophobicContact CG1-CB 3.77Å; V162-V169 HydrophobicContact CB-CG2 4.4Å; V162-V169 HydrophobicContact CG2-CG1 4.14Å; V162-V169 HydrophobicContact CG2-CG2 4.27Å
163E95Very high93.8Very high47 Ų4772.9 Ų72.922%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-72124.1177.5-176.158.5-164.500111.1G147 F161 E196 T197G147-E163 WeakPolarHBondContact CA-OE2 3.25Å; G147-E163 PolarHBondContact N-OE2 3.33Å; F161-E163 HydrophobicContact CE1-CB 4.11Å; E163-E196 HydrophobicContact CB-CB 4.08Å; E163-E196 HydrophobicContact CG-CB 3.95Å; E163-T197 HydrophobicContact CB-CG2 4.09Å; E163-T197 HydrophobicContact CG-CG2 4.39Å
164K91.1Very high93.9Very high123 Ų12368.1 Ų68.154%0.53533%0.332SS..SBendtrans42.560.1174.1-68.5170.2-177.6108.70113.1K145 Y146 V162K145-K164 VanDerWaalsContact O-CE 3.25Å; K145-K164 WeakPolarHBondContact O-CE 3.47Å; Y146-K164 WeakPolarHBondContact O-CA 3.46Å; Y146-K164 PolarHBondContact O-N 3.44Å; V162-K164 PolarHBondContact O-N 3.4Å
165P87.7Confident94Very high17 Ų1759.4 Ų59.411%0.1129%0.292CS..  trans-66140.2-174.231.2-36.4000110.7A148 V162 E167 V169A148-P165 HydrophobicContact CB-CG 3.98Å; V162-P165 HydrophobicContact CB-CB 4.35Å; V162-P165 HydrophobicContact CG1-CB 3.77Å; P165-E167 VanDerWaalsContact C-N 3.26Å; P165-E167 VanDerWaalsContact CB-O 3.32Å; P165-E167 WeakPolarHBondContact CB-O 3.49Å; P165-E167 PolarHBondContact O-N 2.76Å; P165-V169 HydrophobicContact CB-CG2 3.64Å; P165-V169 HydrophobicContact CG-CB 4.31Å; P165-V169 HydrophobicContact CG-CG2 3.94Å
166S88Confident93.9Very high129 Ų12956.6 Ų56.690%0.90228%0.275SS*.SBendtrans-71.9-22.4174.4550000113.1
167E89.4Confident93.9Very high155 Ų15556.2 Ų56.272%0.72427%0.271SS*.SBendtrans-115.3155176.1-63.9-178.217000110P165 V169P165-E167 VanDerWaalsContact C-N 3.26Å; P165-E167 VanDerWaalsContact CB-O 3.32Å; P165-E167 WeakPolarHBondContact CB-O 3.49Å; P165-E167 PolarHBondContact O-N 2.76Å; E167-V169 PolarHBondContact O-N 3.34Å
168Y89Confident93.9Very high167 Ų16754.7 Ų54.766%0.65526%0.263SS*.  trans-62.8122.1176.9179.7-89.6000111.2P143 N171P143-Y168 HydrophobicContact CG-CD2 4.21Å; P143-Y168 HydrophobicContact CG-CE2 4.29Å; Y168-N171 HydrophobicContact CE2-CB 4.41Å; Y168-N171 PolarHBondContact OH-N 3.49Å
169V87.2Confident93.9Very high39 Ų3954.6 Ų54.624%0.23626%0.262CS..  trans-109.2-50176.4174.60000111.3A148 V150 V162 P165 E167A148-V169 HydrophobicContact CB-CB 3.97Å; A148-V169 HydrophobicContact CB-CG1 4.2Å; V150-V169 HydrophobicContact CG2-CG1 3.75Å; V162-V169 HydrophobicContact CB-CG2 4.4Å; V162-V169 HydrophobicContact CG2-CG1 4.14Å; V162-V169 HydrophobicContact CG2-CG2 4.27Å; P165-V169 HydrophobicContact CB-CG2 3.64Å; P165-V169 HydrophobicContact CG-CB 4.31Å; P165-V169 HydrophobicContact CG-CG2 3.94Å; E167-V169 PolarHBondContact O-N 3.34Å
170A90.7Very high93.9Very high13 Ų1348.4 Ų48.411%0.10724%0.235CC..  trans-160.8157.6178.300000109.5P143 V150 R172P143-A170 WeakPolarHBondContact CB-O 3.09Å; P143-A170 WeakPolarHBondContact CG-O 3.45Å; V150-A170 HydrophobicContact CG2-CB 4.19Å; A170-R172 VanDerWaalsContact C-N 3.32Å
171N91.5Very high94Very high59 Ų5943.4 Ų43.432%0.31622%0.218SC..SBendtrans-86.9-2171.266.3-11.9000113.6K139 V140 Y168K139-N171 WeakPolarHBondContact CA-O 3.47Å; V140-N171 PolarHBondContact N-O 2.89Å; Y168-N171 HydrophobicContact CE2-CB 4.41Å; Y168-N171 PolarHBondContact OH-N 3.49Å
172R96.3Very high93.9Very high49 Ų4944.1 Ų44.119%0.18522%0.224CC..EExtended strand (participates in β ladder)trans-95.3126.3175.4-67.6-174.2-179.4105.6-25.1109.7T138 K139 A148 V149 H151 D153 A170 E213T138-R172 CarbonylContact O-C 3.55Å; T138-R172 VanDerWaalsContact O-CA 3.31Å; T138-R172 WeakPolarHBondContact O-CA 3.32Å; K139-R172 HydrophobicContact CG-CG 3.76Å; A148-R172 WeakPolarHBondContact CA-O 3.35Å; V149-R172 PolarHBondContact N-O 3.02Å; H151-R172 WeakPolarHBondContact CE1-CD 3.28Å; D153-R172 IonicContact OD1-CZ 2.77Å; D153-R172 IonicContact OD1-NH1 2.85Å; D153-R172 IonicContact OD1-NH2 2.74Å; D153-R172 PolarHBondContact OD1-NH2 2.71Å; A170-R172 VanDerWaalsContact C-N 3.32Å; R172-E213 IonicContact CZ-OE2 2.83Å; R172-E213 IonicContact NE-OE2 2.72Å; R172-E213 PolarHBondContact NE-OE2 3.41Å; R172-E213 IonicContact NH2-OE2 3.31Å; R172-E213 PolarHBondContact NH2-OE2 3.2Å
173I96.5Very high94Very high0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-121.1155.2-174.964.384.4000111.8V137 T138 V140 P143 Y146 G147 A175 W218V137-I173 CarbonylContact C-O 3.46Å; V137-I173 WeakPolarHBondContact CA-O 3.46Å; V137-I173 WeakPolarHBondContact CB-O 3.37Å; T138-I173 HydrophobicContact CG2-CD1 3.57Å; T138-I173 HydrophobicContact CG2-CG1 4.01Å; T138-I173 PolarHBondContact N-O 3.09Å; T138-I173 PolarHBondContact O-N 3.1Å; V140-I173 HydrophobicContact CB-CG1 4.39Å; V140-I173 HydrophobicContact CG1-CD1 4.29Å; V140-I173 HydrophobicContact CG1-CG1 3.75Å; V140-I173 HydrophobicContact CG2-CB 4.34Å; V140-I173 HydrophobicContact CG2-CG1 3.7Å; V140-I173 HydrophobicContact CG2-CG2 3.64Å; P143-I173 HydrophobicContact CB-CG2 3.57Å; Y146-I173 HydrophobicContact CD1-CD1 4.25Å; Y146-I173 HydrophobicContact CD2-CD1 4.32Å; Y146-I173 HydrophobicContact CD2-CG1 4.17Å; Y146-I173 HydrophobicContact CD2-CG2 4.42Å; Y146-I173 HydrophobicContact CG-CB 4.26Å; Y146-I173 HydrophobicContact CG-CD1 3.98Å; Y146-I173 HydrophobicContact CG-CG1 4.14Å; Y146-I173 HydrophobicContact CG-CG2 4.49Å; G147-I173 CarbonylContact O-C 3.49Å; G147-I173 WeakPolarHBondContact O-CA 3.38Å; I173-A175 PolarHBondContact O-N 3.32Å; I173-W218 HydrophobicContact CD1-CH2 3.83Å; I173-W218 HydrophobicContact CD1-CZ2 4.13Å; I173-W218 HydrophobicContact CD1-CZ3 4.27Å
174N96.8Very high94Very high14 Ų1442.7 Ų42.78%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-58.7118.5170.8178.57.1000110.7G147 F161 G176 Y178G147-N174 PolarHBondContact O-N 3.49Å; F161-N174 HydrophobicContact CE2-CB 4.06Å; N174-G176 VanDerWaalsContact C-N 3.31Å; N174-G176 PolarHBondContact O-N 2.76Å; N174-G176 PolarHBondContact OD1-N 2.75Å; N174-Y178 PolarHBondContact ND2-OH 3.47Å; N174-Y178 WeakPolarHBondContact OD1-CE1 3.12Å; N174-Y178 PolarHBondContact OD1-OH 2.98Å
175A96.4Very high94.1Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-85.41.8-17700000113.9A136 T138 I173 L177 W218A136-A175 HydrophobicContact CB-CB 3.98Å; A136-A175 VanDerWaalsContact O-CB 3.3Å; A136-A175 WeakPolarHBondContact O-CB 3.3Å; A136-A175 PolarHBondContact O-N 2.85Å; T138-A175 HydrophobicContact CG2-CB 4.35Å; I173-A175 PolarHBondContact O-N 3.32Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-L177 PolarHBondContact O-N 2.83Å; A175-W218 PolarHBondContact O-NE1 2.9Å
176G95.8Very high94.4Very high2 Ų245.7 Ų45.72%0.02123%0.231CC..EExtended strand (participates in β ladder)trans75.119.117700000114.7N110 N174N110-G176 PolarHBondContact N-O 3.05Å; N174-G176 VanDerWaalsContact C-N 3.31Å; N174-G176 PolarHBondContact O-N 2.76Å; N174-G176 PolarHBondContact OD1-N 2.75Å
177L97.7Very high94.7Very high0 Ų042.2 Ų42.20%020%0.198CC..EExtended strand (participates in β ladder)trans-128.1132.5176.7-46171000109L109 I113 M122 A136 A175 F214L109-L177 HydrophobicContact CB-CD2 4.5Å; L109-L177 HydrophobicContact CD2-CB 4.28Å; L109-L177 HydrophobicContact CD2-CD2 3.39Å; L109-L177 HydrophobicContact CD2-CG 4.4Å; I113-L177 HydrophobicContact CG2-CD2 4.33Å; M122-L177 HydrophobicContact CE-CB 4.13Å; M122-L177 HydrophobicContact SD-CB 4.25Å; A136-L177 HydrophobicContact CB-CB 4Å; A136-L177 HydrophobicContact CB-CD1 4.42Å; A136-L177 PolarHBondContact N-O 3.07Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-L177 PolarHBondContact O-N 2.83Å; L177-F214 HydrophobicContact CD1-CD2 4.37Å; L177-F214 HydrophobicContact CD1-CE2 3.9Å
178Y98Very high94.8Very high6 Ų635.6 Ų35.62%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-141.3157.8-173.9-36.5-83.2000111.4F107 V108 T134 M135 N174 F180 F200F107-Y178 CarbonylContact C-O 3.52Å; F107-Y178 VanDerWaalsContact CA-O 3.23Å; F107-Y178 WeakPolarHBondContact CA-O 3.47Å; F107-Y178 WeakPolarHBondContact CD1-O 3.47Å; V108-Y178 HydrophobicContact CB-CD2 3.8Å; V108-Y178 HydrophobicContact CB-CG 4.49Å; V108-Y178 HydrophobicContact CG1-CD2 3.92Å; V108-Y178 HydrophobicContact CG1-CE2 4.43Å; V108-Y178 PolarHBondContact N-O 3.23Å; V108-Y178 WeakPolarHBondContact O-CD2 3.43Å; V108-Y178 PolarHBondContact O-N 3.03Å; T134-Y178 CarbonylContact O-C 3.46Å; T134-Y178 WeakPolarHBondContact O-CA 3.31Å; M135-Y178 HydrophobicContact CB-CD1 3.7Å; M135-Y178 HydrophobicContact CB-CE1 4.17Å; M135-Y178 HydrophobicContact CE-CE1 4.34Å; N174-Y178 PolarHBondContact ND2-OH 3.47Å; N174-Y178 WeakPolarHBondContact OD1-CE1 3.12Å; N174-Y178 PolarHBondContact OD1-OH 2.98Å; Y178-F180 HydrophobicContact CD1-CZ 4.02Å; Y178-F180 HydrophobicContact CD2-CE2 4.34Å; Y178-F180 HydrophobicContact CD2-CZ 4.49Å; Y178-F180 AromaticContact CG-CE2 3.9Å; Y178-F180 HydrophobicContact CG-CE2 3.9Å; Y178-F180 AromaticContact CG-CZ 3.71Å; Y178-F180 HydrophobicContact CG-CZ 3.71Å; Y178-F200 AromaticContact CD1-CZ 3.83Å; Y178-F200 HydrophobicContact CD1-CZ 3.83Å; Y178-F200 AromaticContact CE1-CE2 3.9Å; Y178-F200 HydrophobicContact CE1-CE2 3.9Å; Y178-F200 AromaticContact CE1-CZ 3.45Å; Y178-F200 HydrophobicContact CE1-CZ 3.45Å; Y178-F200 VanDerWaalsContact CE1-CZ 3.45Å; Y178-F200 AromaticContact CZ-CZ 3.95Å
179I98.1Very high94.6Very high0 Ų032.5 Ų32.50%016%0.159CC..EExtended strand (participates in β ladder)trans-134.4130.5165.6-177.4171.9000108.6R105 F106 F107 M122 L123 H126 G133 T134R105-I179 VanDerWaalsContact CD-CD1 3.42Å; R105-I179 HydrophobicContact CG-CD1 4.01Å; R105-I179 HydrophobicContact CG-CG1 3.75Å; F106-I179 WeakPolarHBondContact O-CA 3.2Å; F107-I179 HydrophobicContact CD1-CB 3.86Å; F107-I179 HydrophobicContact CD1-CD1 4.4Å; F107-I179 HydrophobicContact CD1-CG1 4.32Å; F107-I179 HydrophobicContact CE1-CB 3.91Å; F107-I179 HydrophobicContact CE1-CD1 3.86Å; F107-I179 HydrophobicContact CE1-CG1 4.24Å; F107-I179 HydrophobicContact CE2-CD1 4.28Å; F107-I179 HydrophobicContact CZ-CD1 3.79Å; M122-I179 HydrophobicContact CE-CG2 4.43Å; L123-I179 HydrophobicContact CB-CD1 4.19Å; L123-I179 HydrophobicContact CD1-CD1 3.62Å; H126-I179 HydrophobicContact CB-CD1 4.23Å; H126-I179 HydrophobicContact CB-CG2 3.69Å; G133-I179 WeakPolarHBondContact CA-O 3.32Å; T134-I179 HydrophobicContact CG2-CG2 4.41Å; T134-I179 PolarHBondContact N-O 3.2Å; T134-I179 PolarHBondContact O-N 2.92Å
180F98.2Very high94.3Very high1 Ų135 Ų350%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-132.4148.2-173.6-59.3-56.1000112.5R105 F106 V108 E132 Y178 I184 F200 M203R105-F180 WeakPolarHBondContact CA-O 3.43Å; R105-F180 VanDerWaalsContact CG-O 3.3Å; R105-F180 WeakPolarHBondContact CG-O 3.45Å; F106-F180 HydrophobicContact CE1-CB 4.45Å; F106-F180 HydrophobicContact CE2-CB 4.24Å; F106-F180 HydrophobicContact CE2-CD2 4.1Å; F106-F180 HydrophobicContact CZ-CB 4.06Å; F106-F180 PolarHBondContact N-O 3.43Å; F106-F180 PolarHBondContact O-N 3.13Å; V108-F180 HydrophobicContact CB-CD2 4.38Å; V108-F180 HydrophobicContact CB-CE2 4.15Å; V108-F180 HydrophobicContact CG2-CD2 3.69Å; V108-F180 HydrophobicContact CG2-CE2 3.89Å; E132-F180 WeakPolarHBondContact O-CA 3.12Å; Y178-F180 HydrophobicContact CD1-CZ 4.02Å; Y178-F180 HydrophobicContact CD2-CE2 4.34Å; Y178-F180 HydrophobicContact CD2-CZ 4.49Å; Y178-F180 AromaticContact CG-CE2 3.9Å; Y178-F180 HydrophobicContact CG-CE2 3.9Å; Y178-F180 AromaticContact CG-CZ 3.71Å; Y178-F180 HydrophobicContact CG-CZ 3.71Å; F180-I184 HydrophobicContact CB-CB 4.37Å; F180-I184 HydrophobicContact CB-CD1 4.23Å; F180-I184 HydrophobicContact CB-CG2 3.8Å; F180-I184 HydrophobicContact CD1-CD1 3.44Å; F180-I184 VanDerWaalsContact CD1-CD1 3.44Å; F180-I184 HydrophobicContact CD2-CD1 3.83Å; F180-I184 HydrophobicContact CE1-CD1 3.63Å; F180-I184 HydrophobicContact CE2-CD1 3.99Å; F180-I184 HydrophobicContact CG-CD1 3.57Å; F180-I184 HydrophobicContact CG-CG2 4.23Å; F180-I184 HydrophobicContact CZ-CD1 3.91Å; F180-F200 HydrophobicContact CE1-CE1 4.24Å; F180-F200 AromaticContact CZ-CE1 3.76Å; F180-F200 HydrophobicContact CZ-CE1 3.76Å; F180-F200 HydrophobicContact CZ-CZ 4.28Å; F180-M203 HydrophobicContact CD1-CE 4.35Å; F180-M203 HydrophobicContact CE1-CE 4.32Å
181E97.9Very high94Very high42 Ų4238.8 Ų38.820%0.19620%0.198CC..  trans-79.6149.6163-66.9-61.8162.700110.6R105 H126 E132 T183 I184R105-E181 IonicContact CZ-OE1 3.24Å; R105-E181 IonicContact NE-OE1 3.76Å; R105-E181 PolarHBondContact NE-OE1 2.84Å; R105-E181 IonicContact NH2-OE1 3.34Å; R105-E181 PolarHBondContact NH2-OE1 3.01Å; R105-E181 IonicContact NH2-OE2 2.68Å; H126-E181 IonicContact CD2-OE1 3.77Å; H126-E181 IonicContact NE2-OE1 3.06Å; H126-E181 PolarHBondContact NE2-OE1 2.89Å; E132-E181 PolarHBondContact O-N 3.04Å; E181-T183 PolarHBondContact O-N 3.42Å; E181-I184 VanDerWaalsContact O-CG2 3.26Å; E181-I184 WeakPolarHBondContact O-CG2 3.42Å; E181-I184 PolarHBondContact O-N 3.48Å; E181-I184 VanDerWaalsContact O-N 3.08Å
182P96.5Very high93.6Very high29 Ų2940.5 Ų40.519%0.18821%0.213CC..G310 helixtrans-55-20.6-179.5-27.935000115.6E104 I184 L185E104-P182 VanDerWaalsContact C-CG 3.48Å; E104-P182 WeakPolarHBondContact O-CG 3.33Å; P182-I184 PolarHBondContact O-N 3.22Å; P182-L185 VanDerWaalsContact O-CB 3.31Å; P182-L185 WeakPolarHBondContact O-CB 3.26Å; P182-L185 WeakPolarHBondContact O-CG 3.45Å; P182-L185 PolarHBondContact O-N 3.43Å; P182-L185 VanDerWaalsContact O-N 3.11Å
183T96Very high93.2Very high51 Ų5139.1 Ų39.131%0.31321%0.209SC..G310 helixtrans-63.4-24.2178.857.20000112.7E132 E181 L185 K186E132-T183 WeakPolarHBondContact CG-OG1 3.31Å; E132-T183 VanDerWaalsContact OE1-CB 3.23Å; E132-T183 WeakPolarHBondContact OE1-CB 3.07Å; E132-T183 PolarHBondContact OE1-OG1 3.34Å; E181-T183 PolarHBondContact O-N 3.42Å; T183-L185 PolarHBondContact O-N 3.22Å; T183-L185 VanDerWaalsContact O-N 3.15Å; T183-K186 WeakPolarHBondContact O-CB 3.33Å; T183-K186 PolarHBondContact O-N 3.44Å
184I95.5Very high92.8Very high0 Ų039.6 Ų39.60%021%0.212CC..G310 helixtrans-55.7-32173.1-164.5171.3000112.1F106 F180 E181 P182 K186 R187 V199 M203F106-I184 HydrophobicContact CE1-CG2 4.37Å; F106-I184 HydrophobicContact CZ-CG2 3.8Å; F180-I184 HydrophobicContact CB-CB 4.37Å; F180-I184 HydrophobicContact CB-CD1 4.23Å; F180-I184 HydrophobicContact CB-CG2 3.8Å; F180-I184 HydrophobicContact CD1-CD1 3.44Å; F180-I184 VanDerWaalsContact CD1-CD1 3.44Å; F180-I184 HydrophobicContact CD2-CD1 3.83Å; F180-I184 HydrophobicContact CE1-CD1 3.63Å; F180-I184 HydrophobicContact CE2-CD1 3.99Å; F180-I184 HydrophobicContact CG-CD1 3.57Å; F180-I184 HydrophobicContact CG-CG2 4.23Å; F180-I184 HydrophobicContact CZ-CD1 3.91Å; E181-I184 VanDerWaalsContact O-CG2 3.26Å; E181-I184 WeakPolarHBondContact O-CG2 3.42Å; E181-I184 PolarHBondContact O-N 3.48Å; E181-I184 VanDerWaalsContact O-N 3.08Å; P182-I184 PolarHBondContact O-N 3.22Å; I184-K186 PolarHBondContact O-N 2.84Å; I184-K186 VanDerWaalsContact O-N 3.11Å; I184-R187 VanDerWaalsContact O-CB 3.27Å; I184-R187 WeakPolarHBondContact O-CB 3.42Å; I184-R187 PolarHBondContact O-N 2.9Å; I184-V199 HydrophobicContact CD1-CG1 4.19Å; I184-V199 HydrophobicContact CG1-CG1 4.14Å; I184-M203 HydrophobicContact CD1-CE 4.1Å; I184-M203 HydrophobicContact CD1-SD 3.72Å; I184-M203 HydrophobicContact CG1-SD 4.18Å
185L93.9Very high92.6Very high25 Ų2539.2 Ų39.213%0.13121%0.21CC..G310 helixtrans-61.3-24.5-178.6-59.2173.6000111.8A98 L101 T102 F106 P182 T183 R187 I188A98-L185 HydrophobicContact CB-CD1 4.18Å; A98-L185 HydrophobicContact CB-CD2 4.09Å; L101-L185 HydrophobicContact CB-CD1 4.05Å; L101-L185 HydrophobicContact CD1-CD2 4.45Å; T102-L185 HydrophobicContact CG2-CD1 4.24Å; F106-L185 HydrophobicContact CZ-CD2 4.09Å; F106-L185 HydrophobicContact CZ-CG 4.48Å; P182-L185 VanDerWaalsContact O-CB 3.31Å; P182-L185 WeakPolarHBondContact O-CB 3.26Å; P182-L185 WeakPolarHBondContact O-CG 3.45Å; P182-L185 PolarHBondContact O-N 3.43Å; P182-L185 VanDerWaalsContact O-N 3.11Å; T183-L185 PolarHBondContact O-N 3.22Å; T183-L185 VanDerWaalsContact O-N 3.15Å; L185-R187 PolarHBondContact O-N 3.4Å; L185-I188 PolarHBondContact O-N 3.38Å
186K93.4Very high92.4Very high178 Ų17840.3 Ų40.377%0.77422%0.215SC*.G310 helixtrans-71.2-17.7174.7-59.9177.6-178.5175.20113.2T183 I184 I188T183-K186 WeakPolarHBondContact O-CB 3.33Å; T183-K186 PolarHBondContact O-N 3.44Å; I184-K186 PolarHBondContact O-N 2.84Å; I184-K186 VanDerWaalsContact O-N 3.11Å; K186-I188 VanDerWaalsContact C-N 3.34Å
187R94.6Very high92.3Very high56 Ų5644.6 Ų44.621%0.21124%0.241CC..G310 helixtrans-85.9-10.7176.2-56.8-179.7173.6-86.61.7112.5E132 I184 L185 V199 D206E132-R187 IonicContact OE2-CZ 3.25Å; E132-R187 IonicContact OE2-NE 2.9Å; E132-R187 PolarHBondContact OE2-NE 2.91Å; E132-R187 IonicContact OE2-NH2 3.46Å; E132-R187 PolarHBondContact OE2-NH2 2.88Å; I184-R187 VanDerWaalsContact O-CB 3.27Å; I184-R187 WeakPolarHBondContact O-CB 3.42Å; I184-R187 PolarHBondContact O-N 2.9Å; L185-R187 PolarHBondContact O-N 3.4Å; R187-V199 HydrophobicContact CB-CG1 4.18Å; R187-D206 IonicContact CZ-OD2 2.67Å; R187-D206 VanDerWaalsContact CZ-OD2 3.25Å; R187-D206 IonicContact NH1-OD2 2.82Å; R187-D206 PolarHBondContact NH1-OD2 2.88Å; R187-D206 IonicContact NH2-OD2 2.71Å; R187-D206 PolarHBondContact NH2-OD2 3.05Å
188I91.2Very high92Very high17 Ų1746.5 Ų46.59%0.08726%0.256CS..  trans-107.5116.3-172.4-50.9178.1000108.4L94 A95 L185 K186 M193 V199L94-I188 HydrophobicContact CB-CD1 3.57Å; L94-I188 HydrophobicContact CD2-CD1 3.56Å; L94-I188 HydrophobicContact CG-CD1 4.22Å; A95-I188 HydrophobicContact CB-CG2 3.76Å; L185-I188 PolarHBondContact O-N 3.38Å; K186-I188 VanDerWaalsContact C-N 3.34Å; I188-M193 HydrophobicContact CG2-SD 4.48Å; I188-V199 HydrophobicContact CG1-CG2 4.22Å
189E85.4Confident91.9Very high102 Ų10246.4 Ų46.448%0.47726%0.256SS..  trans-93151.1174.8-64.1176.2-12000110.2K191 M193E189-K191 HydrophobicContact CB-CD 4.13Å; E189-K191 HydrophobicContact CB-CG 3.98Å; E189-K191 VanDerWaalsContact CD-CE 3.46Å; E189-K191 PolarHBondContact O-N 3.11Å; E189-K191 WeakPolarHBondContact OE1-CE 3.47Å; E189-K191 IonicContact OE1-NZ 2.78Å; E189-K191 PolarHBondContact OE1-NZ 3.12Å; E189-K191 WeakPolarHBondContact OE2-CD 3.35Å; E189-K191 WeakPolarHBondContact OE2-CE 3.2Å; E189-K191 IonicContact OE2-NZ 3.52Å; E189-K191 PolarHBondContact OE2-NZ 3.34Å; E189-M193 HydrophobicContact CB-CE 3.77Å; E189-M193 HydrophobicContact CG-CE 4.01Å
190A80.7Confident91.8Very high92 Ų9246.4 Ų46.476%0.7626%0.256SS*.SBendtrans-76.758.6174.400000111.7
191K84.5Confident91.7Very high91 Ų9147.7 Ų47.740%0.39627%0.265SS..SBendtrans-142.7163.617671.5-172.3-178.9-1630109.1E189 M193E189-K191 HydrophobicContact CB-CD 4.13Å; E189-K191 HydrophobicContact CB-CG 3.98Å; E189-K191 VanDerWaalsContact CD-CE 3.46Å; E189-K191 PolarHBondContact O-N 3.11Å; E189-K191 WeakPolarHBondContact OE1-CE 3.47Å; E189-K191 IonicContact OE1-NZ 2.78Å; E189-K191 PolarHBondContact OE1-NZ 3.12Å; E189-K191 WeakPolarHBondContact OE2-CD 3.35Å; E189-K191 WeakPolarHBondContact OE2-CE 3.2Å; E189-K191 IonicContact OE2-NZ 3.52Å; E189-K191 PolarHBondContact OE2-NZ 3.34Å; K191-M193 WeakPolarHBondContact O-CB 3.22Å; K191-M193 PolarHBondContact O-N 2.97Å
192P82.7Confident91.7Very high96 Ų9646.5 Ų46.562%0.62326%0.262SS*.SBendtrans-52.5114.3173.9-26.436.2000111.1L88L88-P192 HydrophobicContact CD2-CG 3.98Å; L88-P192 WeakPolarHBondContact O-CA 3.49Å
193M87Confident91.8Very high20 Ų2045.1 Ų45.110%0.09925%0.253CS..  trans-151.6125.8-173.8-179.2-177.1-68.500109.7L88 G91 I188 E189 K191 A198 V199L88-M193 PolarHBondContact O-N 3.25Å; G91-M193 WeakPolarHBondContact CA-O 3.41Å; G91-M193 PolarHBondContact N-O 3Å; I188-M193 HydrophobicContact CG2-SD 4.48Å; E189-M193 HydrophobicContact CB-CE 3.77Å; E189-M193 HydrophobicContact CG-CE 4.01Å; K191-M193 WeakPolarHBondContact O-CB 3.22Å; K191-M193 PolarHBondContact O-N 2.97Å; M193-A198 HydrophobicContact CG-CB 3.81Å; M193-A198 HydrophobicContact SD-CB 4.35Å; M193-V199 HydrophobicContact SD-CG2 3.88Å
194S89.5Confident91.9Very high10 Ų1043.6 Ų43.67%0.0724%0.244CC..  trans-86.6133.6169.4155.50000111.1D89 T90 E196 T197 A198D89-S194 VanDerWaalsContact OD2-CB 3.3Å; D89-S194 WeakPolarHBondContact OD2-CB 3.2Å; D89-S194 PolarHBondContact OD2-N 2.97Å; T90-S194 VanDerWaalsContact OG1-CA 3.24Å; T90-S194 WeakPolarHBondContact OG1-CA 3.3Å; S194-E196 VanDerWaalsContact C-N 3.28Å; S194-E196 PolarHBondContact OG-N 3.36Å; S194-E196 VanDerWaalsContact OG-N 3.1Å; S194-E196 PolarHBondContact OG-OE2 3.36Å; S194-T197 WeakPolarHBondContact CB-OG1 3.34Å; S194-T197 PolarHBondContact OG-N 3.49Å; S194-T197 VanDerWaalsContact OG-N 3.07Å; S194-T197 PolarHBondContact OG-OG1 3.05Å; S194-A198 VanDerWaalsContact O-CB 3.25Å; S194-A198 WeakPolarHBondContact O-CB 3.29Å; S194-A198 PolarHBondContact O-N 3.17Å
195I91.8Very high92Very high6 Ų652.2 Ų52.23%0.03128%0.276CS..Iπ-helixtrans-61.7-42.9172.4-61.1177.1000109.7T90 L94 V199 F200T90-I195 WeakPolarHBondContact O-CD1 3.43Å; T90-I195 PolarHBondContact OG1-N 3.46Å; L94-I195 HydrophobicContact CD1-CD1 3.7Å; L94-I195 HydrophobicContact CD2-CD1 3.72Å; L94-I195 HydrophobicContact CG-CD1 4.24Å; I195-V199 HydrophobicContact CG2-CB 4.09Å; I195-V199 PolarHBondContact O-N 2.99Å; I195-F200 HydrophobicContact CG2-CD1 3.77Å; I195-F200 HydrophobicContact CG2-CD2 4.18Å; I195-F200 HydrophobicContact CG2-CE1 3.32Å; I195-F200 HydrophobicContact CG2-CE2 3.78Å; I195-F200 HydrophobicContact CG2-CG 4.17Å; I195-F200 HydrophobicContact CG2-CZ 3.33Å; I195-F200 PolarHBondContact O-N 3.33Å
196E93.2Very high92.2Very high23 Ų2355 Ų5511%0.10729%0.292CS..Iπ-helixtrans-67-37.7-175.9-59.683.3179.700112.7T90 F161 E163 S194 F200 P201T90-E196 WeakPolarHBondContact CB-OE2 3.32Å; T90-E196 PolarHBondContact OG1-OE2 3.09Å; F161-E196 VanDerWaalsContact CD1-O 3.28Å; F161-E196 WeakPolarHBondContact CD1-O 3.37Å; F161-E196 HydrophobicContact CE1-CB 3.79Å; F161-E196 HydrophobicContact CE1-CG 4.46Å; F161-E196 WeakPolarHBondContact CE1-O 3.46Å; F161-E196 HydrophobicContact CZ-CB 4.03Å; F161-E196 HydrophobicContact CZ-CG 4.19Å; E163-E196 HydrophobicContact CB-CB 4.08Å; E163-E196 HydrophobicContact CG-CB 3.95Å; S194-E196 VanDerWaalsContact C-N 3.28Å; S194-E196 PolarHBondContact OG-N 3.36Å; S194-E196 VanDerWaalsContact OG-N 3.1Å; S194-E196 PolarHBondContact OG-OE2 3.36Å; E196-F200 HydrophobicContact CG-CD2 4.46Å; E196-F200 HydrophobicContact CG-CE2 4.29Å; E196-P201 VanDerWaalsContact O-CD 3.3Å; E196-P201 WeakPolarHBondContact O-CD 3.15Å
197T91.7Very high92.4Very high92 Ų9249.4 Ų49.456%0.56428%0.275SS*.Iπ-helixtrans-98.7-19.6-177.265.80000114.4E163 S194E163-T197 HydrophobicContact CB-CG2 4.09Å; E163-T197 HydrophobicContact CG-CG2 4.39Å; S194-T197 WeakPolarHBondContact CB-OG1 3.34Å; S194-T197 PolarHBondContact OG-N 3.49Å; S194-T197 VanDerWaalsContact OG-N 3.07Å; S194-T197 PolarHBondContact OG-OG1 3.05Å
198A92.5Very high92.6Very high40 Ų4048.5 Ų48.533%0.33127%0.273SS..Iπ-helixtrans-113.1-54.5-179.100000113M193 S194 A202M193-A198 HydrophobicContact CG-CB 3.81Å; M193-A198 HydrophobicContact SD-CB 4.35Å; S194-A198 VanDerWaalsContact O-CB 3.25Å; S194-A198 WeakPolarHBondContact O-CB 3.29Å; S194-A198 PolarHBondContact O-N 3.17Å; A198-A202 WeakPolarHBondContact O-CB 2.79Å; A198-A202 PolarHBondContact O-N 2.9Å
199V95.2Very high93Very high3 Ų347.7 Ų47.72%0.01827%0.269CS..Iπ-helixtrans-77.4-51.6-169.3-176.90000111.7I184 R187 I188 M193 I195 A202 M203I184-V199 HydrophobicContact CD1-CG1 4.19Å; I184-V199 HydrophobicContact CG1-CG1 4.14Å; R187-V199 HydrophobicContact CB-CG1 4.18Å; I188-V199 HydrophobicContact CG1-CG2 4.22Å; M193-V199 HydrophobicContact SD-CG2 3.88Å; I195-V199 HydrophobicContact CG2-CB 4.09Å; I195-V199 PolarHBondContact O-N 2.99Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 2.73Å; V199-A202 VanDerWaalsContact O-N 3.1Å; V199-M203 HydrophobicContact CG1-CG 4.33Å; V199-M203 HydrophobicContact CG1-SD 3.99Å; V199-M203 WeakPolarHBondContact O-CG 3.09Å; V199-M203 PolarHBondContact O-N 2.95Å
200F97.1Very high93.6Very high0 Ų044.5 Ų44.50%025%0.252CS..Hα-helixtrans-60-46.8178.9-63.8-25.7000112.4M135 F161 Y178 F180 I195 E196 A202 M203 V204 L209M135-F200 HydrophobicContact CE-CD1 3.94Å; M135-F200 HydrophobicContact CE-CD2 3.59Å; M135-F200 HydrophobicContact CE-CE1 3.9Å; M135-F200 HydrophobicContact CE-CE2 3.54Å; M135-F200 HydrophobicContact CE-CG 3.8Å; M135-F200 HydrophobicContact CE-CZ 3.7Å; F161-F200 HydrophobicContact CB-CB 4.43Å; F161-F200 HydrophobicContact CD1-CB 4.05Å; F161-F200 HydrophobicContact CD1-CD2 4.31Å; F161-F200 HydrophobicContact CD2-CB 4.37Å; F161-F200 HydrophobicContact CD2-CD2 4.08Å; F161-F200 HydrophobicContact CE1-CB 4.49Å; F161-F200 AromaticContact CE1-CD2 3.98Å; F161-F200 HydrophobicContact CE1-CD2 3.98Å; F161-F200 AromaticContact CE2-CD2 3.7Å; F161-F200 HydrophobicContact CE2-CD2 3.7Å; F161-F200 HydrophobicContact CE2-CE2 4.26Å; F161-F200 HydrophobicContact CG-CB 4.01Å; F161-F200 HydrophobicContact CG-CD2 4.39Å; F161-F200 AromaticContact CZ-CD2 3.66Å; F161-F200 HydrophobicContact CZ-CD2 3.66Å; F161-F200 HydrophobicContact CZ-CE2 4.26Å; Y178-F200 AromaticContact CD1-CZ 3.83Å; Y178-F200 HydrophobicContact CD1-CZ 3.83Å; Y178-F200 AromaticContact CE1-CE2 3.9Å; Y178-F200 HydrophobicContact CE1-CE2 3.9Å; Y178-F200 AromaticContact CE1-CZ 3.45Å; Y178-F200 HydrophobicContact CE1-CZ 3.45Å; Y178-F200 VanDerWaalsContact CE1-CZ 3.45Å; Y178-F200 AromaticContact CZ-CZ 3.95Å; F180-F200 HydrophobicContact CE1-CE1 4.24Å; F180-F200 AromaticContact CZ-CE1 3.76Å; F180-F200 HydrophobicContact CZ-CE1 3.76Å; F180-F200 HydrophobicContact CZ-CZ 4.28Å; I195-F200 HydrophobicContact CG2-CD1 3.77Å; I195-F200 HydrophobicContact CG2-CD2 4.18Å; I195-F200 HydrophobicContact CG2-CE1 3.32Å; I195-F200 HydrophobicContact CG2-CE2 3.78Å; I195-F200 HydrophobicContact CG2-CG 4.17Å; I195-F200 HydrophobicContact CG2-CZ 3.33Å; I195-F200 PolarHBondContact O-N 3.33Å; E196-F200 HydrophobicContact CG-CD2 4.46Å; E196-F200 HydrophobicContact CG-CE2 4.29Å; F200-A202 PolarHBondContact O-N 2.85Å; F200-M203 HydrophobicContact CD1-SD 4.26Å; F200-M203 PolarHBondContact O-N 2.94Å; F200-V204 VanDerWaalsContact O-CG2 3.28Å; F200-V204 WeakPolarHBondContact O-CG2 3.4Å; F200-V204 PolarHBondContact O-N 2.99Å; F200-L209 HydrophobicContact CB-CD2 4.06Å; F200-L209 HydrophobicContact CD1-CD2 4.13Å; F200-L209 HydrophobicContact CG-CD2 4.23Å
201P96.3Very high94.4Very high29 Ų2940.2 Ų40.219%0.18822%0.217CC..Hα-helixtrans-59.5-33.2175.1-27.638.7000113.4E196 R205E196-P201 VanDerWaalsContact O-CD 3.3Å; E196-P201 WeakPolarHBondContact O-CD 3.15Å; P201-R205 WeakPolarHBondContact O-CG 3.41Å; P201-R205 PolarHBondContact O-N 2.91Å; P201-R205 VanDerWaalsContact O-N 3.12Å; P201-R205 PolarHBondContact O-NH1 2.89Å
202A96.6Very high95Very high17 Ų1736.6 Ų36.614%0.1420%0.202CC..Hα-helixtrans-68.5-47.4174.400000112.3A198 V199 F200 V204 R205 D206A198-A202 WeakPolarHBondContact O-CB 2.79Å; A198-A202 PolarHBondContact O-N 2.9Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 2.73Å; V199-A202 VanDerWaalsContact O-N 3.1Å; F200-A202 PolarHBondContact O-N 2.85Å; A202-V204 VanDerWaalsContact C-N 3.27Å; A202-V204 PolarHBondContact O-N 3.22Å; A202-R205 PolarHBondContact O-N 2.85Å; A202-D206 PolarHBondContact O-N 3.03Å
203M98.3Very high95.6Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-61.7-36.5176.4-62.4173.474.700112.1E132 F180 I184 V199 F200 D206 S207 E208 L209E132-M203 HydrophobicContact CB-CE 3.9Å; F180-M203 HydrophobicContact CD1-CE 4.35Å; F180-M203 HydrophobicContact CE1-CE 4.32Å; I184-M203 HydrophobicContact CD1-CE 4.1Å; I184-M203 HydrophobicContact CD1-SD 3.72Å; I184-M203 HydrophobicContact CG1-SD 4.18Å; V199-M203 HydrophobicContact CG1-CG 4.33Å; V199-M203 HydrophobicContact CG1-SD 3.99Å; V199-M203 WeakPolarHBondContact O-CG 3.09Å; V199-M203 PolarHBondContact O-N 2.95Å; F200-M203 HydrophobicContact CD1-SD 4.26Å; F200-M203 PolarHBondContact O-N 2.94Å; M203-D206 CarbonylContact O-C 3.57Å; M203-D206 PolarHBondContact O-N 3.33Å; M203-S207 PolarHBondContact O-N 3.24Å; M203-E208 HydrophobicContact CB-CB 4.46Å; M203-E208 PolarHBondContact O-N 3.22Å; M203-L209 HydrophobicContact CB-CB 3.74Å; M203-L209 HydrophobicContact CE-CB 4.34Å; M203-L209 HydrophobicContact CE-CD1 4.12Å
204V98.2Very high95.6Very high19 Ų1934.7 Ų34.712%0.11518%0.184CC..Hα-helixtrans-62.5-46.8174.3169.70000111.2V158 K159 F161 F200 A202 D206 S207 L209V158-V204 HydrophobicContact CB-CG2 4.01Å; V158-V204 HydrophobicContact CG1-CG2 3.55Å; K159-V204 VanDerWaalsContact O-CG1 3.31Å; K159-V204 WeakPolarHBondContact O-CG1 3.19Å; F161-V204 HydrophobicContact CB-CG2 4.27Å; F200-V204 VanDerWaalsContact O-CG2 3.28Å; F200-V204 WeakPolarHBondContact O-CG2 3.4Å; F200-V204 PolarHBondContact O-N 2.99Å; A202-V204 VanDerWaalsContact C-N 3.27Å; A202-V204 PolarHBondContact O-N 3.22Å; V204-D206 PolarHBondContact O-N 2.84Å; V204-S207 PolarHBondContact O-N 3.48Å; V204-S207 VanDerWaalsContact O-N 3.09Å; V204-L209 HydrophobicContact CG2-CB 4.39Å; V204-L209 HydrophobicContact CG2-CD2 3.89Å
205R97.9Very high95.5Very high180 Ų18037 Ų3768%0.67920%0.2SC*.Hα-helixtrans-58.5-37.3176.2-74.3-171.9-54.8-90.95.9111.9P201 A202 S207P201-R205 WeakPolarHBondContact O-CG 3.41Å; P201-R205 PolarHBondContact O-N 2.91Å; P201-R205 VanDerWaalsContact O-N 3.12Å; P201-R205 PolarHBondContact O-NH1 2.89Å; A202-R205 PolarHBondContact O-N 2.85Å; R205-S207 VanDerWaalsContact C-N 3.3Å; R205-S207 PolarHBondContact O-N 3.25Å
206D98.3Very high95.4Very high85 Ų8539.5 Ų39.546%0.45523%0.227SC..THydrogen-bonded Turntrans-84.9-1.3-179.2-59.2-16.3000113.2R187 A202 M203 V204 E208R187-D206 IonicContact CZ-OD2 2.67Å; R187-D206 VanDerWaalsContact CZ-OD2 3.25Å; R187-D206 IonicContact NH1-OD2 2.82Å; R187-D206 PolarHBondContact NH1-OD2 2.88Å; R187-D206 IonicContact NH2-OD2 2.71Å; R187-D206 PolarHBondContact NH2-OD2 3.05Å; A202-D206 PolarHBondContact O-N 3.03Å; M203-D206 CarbonylContact O-C 3.57Å; M203-D206 PolarHBondContact O-N 3.33Å; V204-D206 PolarHBondContact O-N 2.84Å; D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 HydrophobicContact CB-CB 4.48Å; D206-E208 HydrophobicContact CB-CG 4.08Å; D206-E208 PolarHBondContact O-N 2.79Å
207S98.3Very high95.4Very high59 Ų5939.2 Ų39.241%0.41323%0.226SC..THydrogen-bonded Turntrans58.434.2-174.6-55.10000114.4M203 V204 R205M203-S207 PolarHBondContact O-N 3.24Å; V204-S207 PolarHBondContact O-N 3.48Å; V204-S207 VanDerWaalsContact O-N 3.09Å; R205-S207 VanDerWaalsContact C-N 3.3Å; R205-S207 PolarHBondContact O-N 3.25Å
208E98.6Very high95.6Very high37 Ų3736 Ų3617%0.17320%0.203CC..  trans-106.40-176.6-72.6-57.8144.900113.5K131 E132 G133 M203 D206K131-E208 WeakPolarHBondContact CA-OE2 3.26Å; K131-E208 VanDerWaalsContact CB-OE2 3.27Å; K131-E208 WeakPolarHBondContact CB-OE2 3.49Å; K131-E208 WeakPolarHBondContact CD-OE2 3.27Å; K131-E208 IonicContact NZ-OE1 2.81Å; K131-E208 PolarHBondContact NZ-OE1 2.84Å; E132-E208 HydrophobicContact CB-CB 4.08Å; E132-E208 HydrophobicContact CG-CB 4.06Å; E132-E208 HydrophobicContact CG-CG 4.11Å; E132-E208 WeakPolarHBondContact CG-OE2 3.39Å; E132-E208 PolarHBondContact N-O 3.25Å; E132-E208 PolarHBondContact N-OE2 3.16Å; G133-E208 PolarHBondContact N-O 3.03Å; M203-E208 HydrophobicContact CB-CB 4.46Å; M203-E208 PolarHBondContact O-N 3.22Å; D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 HydrophobicContact CB-CB 4.48Å; D206-E208 HydrophobicContact CB-CG 4.08Å; D206-E208 PolarHBondContact O-N 2.79Å
209L98.7Very high95.8Very high0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-114.9124.1177.8-176.165.1000112.2M135 V158 F200 M203 V204M135-L209 HydrophobicContact CE-CD1 4.12Å; M135-L209 HydrophobicContact CE-CD2 3.63Å; M135-L209 HydrophobicContact CE-CG 4.33Å; M135-L209 HydrophobicContact CG-CD1 4.3Å; M135-L209 HydrophobicContact SD-CD2 4.14Å; V158-L209 HydrophobicContact CB-CD2 4.34Å; V158-L209 HydrophobicContact CB-CG 4.27Å; V158-L209 WeakPolarHBondContact CB-O 3.24Å; V158-L209 HydrophobicContact CG1-CD2 4.45Å; V158-L209 HydrophobicContact CG2-CD2 4.27Å; V158-L209 HydrophobicContact CG2-CG 3.98Å; V158-L209 PolarHBondContact N-O 2.79Å; F200-L209 HydrophobicContact CB-CD2 4.06Å; F200-L209 HydrophobicContact CD1-CD2 4.13Å; F200-L209 HydrophobicContact CG-CD2 4.23Å; M203-L209 HydrophobicContact CB-CB 3.74Å; M203-L209 HydrophobicContact CE-CB 4.34Å; M203-L209 HydrophobicContact CE-CD1 4.12Å; V204-L209 HydrophobicContact CG2-CB 4.39Å; V204-L209 HydrophobicContact CG2-CD2 3.89Å
210Y98.7Very high95.7Very high35 Ų3535.9 Ų35.914%0.13720%0.197CC..EExtended strand (participates in β ladder)trans-115.2162174.4-76.6-116000110.1F125 H129 K131 G133 T134 M135 T155 G156 L157F125-Y210 HydrophobicContact CZ-CD1 4.26Å; H129-Y210 HydrophobicContact CB-CD1 4.05Å; H129-Y210 HydrophobicContact CB-CE1 3.93Å; H129-Y210 HydrophobicContact CB-CG 4.42Å; H129-Y210 AromaticContact CD2-CD1 3.87Å; H129-Y210 AromaticContact CD2-CG 3.73Å; H129-Y210 AromaticContact CE1-CG 3.99Å; H129-Y210 AromaticContact CG-CD1 3.89Å; H129-Y210 AromaticContact CG-CG 3.82Å; H129-Y210 AromaticContact ND1-CD2 3.84Å; H129-Y210 AromaticContact ND1-CG 3.96Å; H129-Y210 WeakPolarHBondContact NE2-CB 3.44Å; H129-Y210 AromaticContact NE2-CG 3.83Å; K131-Y210 HydrophobicContact CB-CD2 4.11Å; K131-Y210 HydrophobicContact CB-CE2 4.1Å; K131-Y210 HydrophobicContact CG-CD2 4.03Å; K131-Y210 HydrophobicContact CG-CE2 3.53Å; G133-Y210 PolarHBondContact O-N 3.34Å; T134-Y210 CarbonylContact C-O 3.56Å; T134-Y210 VanDerWaalsContact CA-O 3.24Å; T134-Y210 WeakPolarHBondContact CA-O 3.31Å; M135-Y210 PolarHBondContact N-O 2.68Å; T155-Y210 VanDerWaalsContact O-CD1 3.29Å; T155-Y210 WeakPolarHBondContact O-CD1 3.48Å; T155-Y210 WeakPolarHBondContact O-CE1 3.07Å; G156-Y210 CarbonylContact O-C 3.41Å; G156-Y210 VanDerWaalsContact O-CA 3.3Å; G156-Y210 WeakPolarHBondContact O-CA 3.39Å; L157-Y210 HydrophobicContact CB-CD1 4.32Å; L157-Y210 HydrophobicContact CB-CE1 3.91Å; L157-Y210 HydrophobicContact CB-CE2 4.41Å; L157-Y210 HydrophobicContact CD1-CD2 4.06Å; L157-Y210 HydrophobicContact CD1-CE2 3.51Å
211C98.2Very high95.7Very high2 Ų235.9 Ų35.91%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-134.1153173.368.90000112.5F125 M135 V137 H151 G156 V158F125-C211 WeakPolarHBondContact CE1-O 3.46Å; M135-C211 HydrophobicContact CG-CB 3.69Å; M135-C211 CarbonylContact O-C 3.57Å; M135-C211 WeakPolarHBondContact O-CA 3.04Å; M135-C211 WeakPolarHBondContact O-CB 3.14Å; V137-C211 HydrophobicContact CG1-CB 3.77Å; V137-C211 HydrophobicContact CG2-CB 4.2Å; H151-C211 WeakPolarHBondContact CB-SG 3.33Å; H151-C211 PolarHBondContact ND1-SG 3.26Å; H151-C211 VanDerWaalsContact ND1-SG 3.41Å; G156-C211 WeakPolarHBondContact CA-O 3Å; G156-C211 PolarHBondContact O-N 3.17Å; V158-C211 HydrophobicContact CG2-CB 3.81Å
212I97Very high95.5Very high16 Ų1634.6 Ų34.68%0.08219%0.188CC..EExtended strand (participates in β ladder)trans-125.6133.8173.5-171.6170.8000110R121 M122 F125 T134 M135 A136 V137 F214R121-I212 HydrophobicContact CG-CD1 3.76Å; M122-I212 HydrophobicContact CG-CG2 3.95Å; F125-I212 HydrophobicContact CB-CD1 3.8Å; F125-I212 HydrophobicContact CD1-CB 3.93Å; F125-I212 HydrophobicContact CD1-CD1 4.36Å; F125-I212 HydrophobicContact CE1-CB 4.17Å; F125-I212 HydrophobicContact CG-CB 4.36Å; F125-I212 HydrophobicContact CG-CD1 3.98Å; T134-I212 HydrophobicContact CG2-CG2 4.06Å; M135-I212 PolarHBondContact O-N 3.36Å; A136-I212 WeakPolarHBondContact CA-O 3.19Å; V137-I212 PolarHBondContact N-O 2.77Å; I212-F214 PolarHBondContact O-N 3.39Å
213E95Very high95.5Very high60 Ų6036.9 Ų36.928%0.2820%0.196SC..EExtended strand (participates in β ladder)trans-72.2126.3177.3-164.2166.3143.300110.4R121 V137 K139 R172R121-E213 PolarHBondContact NH1-O 3.12Å; V137-E213 HydrophobicContact CG2-CB 4.43Å; V137-E213 CarbonylContact O-C 3.5Å; V137-E213 WeakPolarHBondContact O-CA 3.49Å; K139-E213 VanDerWaalsContact CE-OE1 3.25Å; K139-E213 WeakPolarHBondContact CE-OE1 3.4Å; K139-E213 IonicContact NZ-OE1 2.7Å; K139-E213 PolarHBondContact NZ-OE1 3.42Å; K139-E213 IonicContact NZ-OE2 3.69Å; K139-E213 PolarHBondContact NZ-OE2 2.94Å; R172-E213 IonicContact CZ-OE2 2.83Å; R172-E213 IonicContact NE-OE2 2.72Å; R172-E213 PolarHBondContact NE-OE2 3.41Å; R172-E213 IonicContact NH2-OE2 3.31Å; R172-E213 PolarHBondContact NH2-OE2 3.2Å
214F87.2Confident95.4Very high16 Ų1637.3 Ų37.37%0.0720%0.199CC..  trans-59.4136.6176-163.1-82000109.7C115 N116 P118 V137 L177 I212 F217 W218C115-F214 HydrophobicContact CB-CE1 4.11Å; C115-F214 HydrophobicContact CB-CE2 3.8Å; C115-F214 HydrophobicContact CB-CZ 3.33Å; C115-F214 VanDerWaalsContact SG-CE2 3.52Å; C115-F214 VanDerWaalsContact SG-CZ 3.54Å; N116-F214 WeakPolarHBondContact OD1-CE1 3.47Å; N116-F214 WeakPolarHBondContact OD1-CZ 3.42Å; P118-F214 HydrophobicContact CG-CD2 3.86Å; P118-F214 HydrophobicContact CG-CE2 3.67Å; P118-F214 HydrophobicContact CG-CZ 4.33Å; V137-F214 VanDerWaalsContact O-CB 3.27Å; V137-F214 WeakPolarHBondContact O-CB 3.43Å; V137-F214 PolarHBondContact O-N 2.93Å; L177-F214 HydrophobicContact CD1-CD2 4.37Å; L177-F214 HydrophobicContact CD1-CE2 3.9Å; I212-F214 PolarHBondContact O-N 3.39Å; F214-F217 WeakPolarHBondContact CE1-O 3.48Å; F214-W218 HydrophobicContact CD1-CB 4.15Å; F214-W218 HydrophobicContact CE1-CB 4.18Å
215S85.7Confident95.4Very high57 Ų5738.2 Ų38.240%0.39921%0.208SC..  trans-116.6124.2175.552.80000109N116 R121N116-S215 PolarHBondContact ND2-O 3.25Å; N116-S215 PolarHBondContact OD1-O 3.43Å; N116-S215 VanDerWaalsContact OD1-O 3.14Å; R121-S215 PolarHBondContact NH1-OG 3.28Å
216G89.7Confident95.3Very high59 Ų5930.9 Ų30.961%0.60818%0.183SC*.SBendtrans104.7-157.4-176.400000112N116N116-G216 WeakPolarHBondContact OD1-CA 3.41Å
217F93.8Very high95.3Very high18 Ų1826.9 Ų26.98%0.07916%0.161CC..  trans-87.9145.2-174.583.4-81.3000111.8I114 C115 N116 F214 L233 Y234 H237I114-F217 HydrophobicContact CG2-CE2 3.84Å; I114-F217 HydrophobicContact CG2-CZ 4.26Å; C115-F217 VanDerWaalsContact CA-CE2 3.42Å; C115-F217 VanDerWaalsContact CA-CZ 3.43Å; C115-F217 VanDerWaalsContact CA-O 3.27Å; C115-F217 WeakPolarHBondContact CA-O 3.13Å; C115-F217 VanDerWaalsContact CB-O 3.22Å; C115-F217 WeakPolarHBondContact CB-O 3.27Å; C115-F217 WeakPolarHBondContact O-CZ 3.49Å; N116-F217 HydrophobicContact CB-CD1 4.14Å; N116-F217 HydrophobicContact CB-CE1 3.81Å; N116-F217 PolarHBondContact OD1-N 3.07Å; N116-F217 PolarHBondContact OD1-O 2.94Å; F214-F217 WeakPolarHBondContact CE1-O 3.48Å; F217-L233 HydrophobicContact CB-CB 3.97Å; F217-L233 HydrophobicContact CD2-CB 3.85Å; F217-L233 HydrophobicContact CG-CB 4.16Å; F217-Y234 HydrophobicContact CE1-CD2 4.26Å; F217-Y234 HydrophobicContact CE2-CD2 4.36Å; F217-Y234 AromaticContact CZ-CD2 3.66Å; F217-Y234 HydrophobicContact CZ-CD2 3.66Å; F217-Y234 HydrophobicContact CZ-CG 4.44Å; F217-H237 HydrophobicContact CD1-CB 3.42Å; F217-H237 VanDerWaalsContact CD1-CB 3.42Å; F217-H237 AromaticContact CD1-CG 3.56Å; F217-H237 HydrophobicContact CE1-CB 3.68Å; F217-H237 AromaticContact CE1-CD2 3.5Å; F217-H237 AromaticContact CE1-CG 3.54Å; F217-H237 HydrophobicContact CG-CB 4.34Å
218W96.2Very high95.3Very high23 Ų2324.2 Ų24.29%0.08714%0.143CC..EExtended strand (participates in β ladder)trans-141.8140.5176175.994.9000109.4I113 C115 T138 V140 Y146 I173 A175 F214 D220I113-W218 HydrophobicContact CD1-CZ2 3.67Å; C115-W218 HydrophobicContact CB-CB 4.3Å; C115-W218 HydrophobicContact CB-CG 4.49Å; T138-W218 HydrophobicContact CG2-CD2 3.74Å; T138-W218 HydrophobicContact CG2-CE3 3.79Å; T138-W218 HydrophobicContact CG2-CG 4.07Å; T138-W218 HydrophobicContact CG2-CZ3 4.27Å; V140-W218 HydrophobicContact CG1-CZ3 4.47Å; Y146-W218 HydrophobicContact CD1-CH2 4.39Å; Y146-W218 AromaticContact CE1-CH2 3.84Å; Y146-W218 HydrophobicContact CE1-CH2 3.84Å; I173-W218 HydrophobicContact CD1-CH2 3.83Å; I173-W218 HydrophobicContact CD1-CZ2 4.13Å; I173-W218 HydrophobicContact CD1-CZ3 4.27Å; A175-W218 PolarHBondContact O-NE1 2.9Å; F214-W218 HydrophobicContact CD1-CB 4.15Å; F214-W218 HydrophobicContact CE1-CB 4.18Å; W218-D220 HydrophobicContact CH2-CB 3.75Å; W218-D220 HydrophobicContact CZ2-CB 4.13Å; W218-D220 HydrophobicContact CZ3-CB 4.41Å
219M95.9Very high95.2Very high23 Ų2325.3 Ų25.311%0.11315%0.152CC..EExtended strand (participates in β ladder)trans-150.6134.4171.2-171.358.7106.100112.2I114 I221 D226 T229 L233I114-M219 PolarHBondContact N-O 3.37Å; I114-M219 PolarHBondContact O-N 2.91Å; M219-I221 HydrophobicContact CB-CD1 4.05Å; M219-I221 HydrophobicContact CG-CD1 3.62Å; M219-D226 HydrophobicContact SD-CB 4.36Å; M219-T229 HydrophobicContact CE-CG2 3.24Å; M219-L233 HydrophobicContact CE-CD1 4.38Å
220D94.6Very high95.2Very high19 Ų1925.3 Ų25.310%0.10215%0.152CC..EExtended strand (participates in β ladder)trans-83.5113161.1168.911.8000109.1I113 Y146 W218 G222 D226I113-D220 HydrophobicContact CD1-CB 3.86Å; Y146-D220 HydrophobicContact CE1-CB 4.24Å; W218-D220 HydrophobicContact CH2-CB 3.75Å; W218-D220 HydrophobicContact CZ2-CB 4.13Å; W218-D220 HydrophobicContact CZ3-CB 4.41Å; D220-G222 PolarHBondContact O-N 3.26Å; D220-G222 PolarHBondContact OD1-N 2.88Å; D220-D226 VanDerWaalsContact O-CB 3.25Å; D220-D226 WeakPolarHBondContact O-CB 3.47Å
221I95.7Very high95.2Very high0 Ų023.6 Ų23.60%015%0.145CC..  trans-82.566.3179.7-49.8-62.3000109.1L14 K23 F28 M33 D112 I114 M219 Y227L14-I221 HydrophobicContact CD1-CG2 4.43Å; L14-I221 HydrophobicContact CD2-CG2 4.38Å; K23-I221 WeakPolarHBondContact CE-O 3.34Å; K23-I221 PolarHBondContact NZ-O 3.45Å; F28-I221 HydrophobicContact CD2-CD1 4.33Å; F28-I221 HydrophobicContact CE2-CD1 3.82Å; F28-I221 HydrophobicContact CE2-CG1 4.5Å; M33-I221 HydrophobicContact CE-CB 3.6Å; M33-I221 HydrophobicContact CE-CG1 3.77Å; M33-I221 HydrophobicContact CE-CG2 4.09Å; M33-I221 HydrophobicContact SD-CB 4.17Å; M33-I221 HydrophobicContact SD-CG1 4.45Å; M33-I221 HydrophobicContact SD-CG2 3.97Å; D112-I221 PolarHBondContact O-N 3.28Å; I114-I221 HydrophobicContact CB-CD1 4.34Å; I114-I221 HydrophobicContact CB-CG1 4.1Å; I114-I221 HydrophobicContact CG1-CD1 4.35Å; I114-I221 HydrophobicContact CG1-CG1 3.71Å; M219-I221 HydrophobicContact CB-CD1 4.05Å; M219-I221 HydrophobicContact CG-CD1 3.62Å; I221-Y227 HydrophobicContact CG2-CD2 3.81Å; I221-Y227 HydrophobicContact CG2-CG 4.32Å
222G93.2Very high95.2Very high1 Ų127 Ų271%0.0116%0.157CC..  trans-77.4-42.3-176.700000113.7R13 L14 D220R13-G222 CarbonylContact C-O 3.5Å; R13-G222 WeakPolarHBondContact CB-O 3.48Å; L14-G222 PolarHBondContact N-O 3.19Å; D220-G222 PolarHBondContact O-N 3.26Å; D220-G222 PolarHBondContact OD1-N 2.88Å
223Q95.5Very high95.2Very high65 Ų6529.6 Ų29.630%0.30417%0.171SC..SBendtrans-142.2171.1-17681.4-150.5-44.500111.7R13 A225 D226 Y227R13-Q223 HydrophobicContact CB-CB 4.31Å; R13-Q223 WeakPolarHBondContact O-CA 3.38Å; R13-Q223 WeakPolarHBondContact O-CB 3.28Å; Q223-A225 VanDerWaalsContact C-N 3.31Å; Q223-A225 HydrophobicContact CG-CB 4.22Å; Q223-A225 PolarHBondContact O-N 3.02Å; Q223-D226 HydrophobicContact CG-CB 4.47Å; Q223-D226 VanDerWaalsContact CG-OD2 3.22Å; Q223-D226 WeakPolarHBondContact CG-OD2 3.48Å; Q223-D226 PolarHBondContact N-OD2 2.65Å; Q223-D226 PolarHBondContact NE2-OD1 2.75Å; Q223-D226 PolarHBondContact NE2-OD2 2.83Å; Q223-D226 VanDerWaalsContact NE2-OD2 3.1Å; Q223-D226 WeakPolarHBondContact O-CB 3.47Å; Q223-D226 PolarHBondContact O-N 3.45Å; Q223-Y227 PolarHBondContact O-N 2.91Å
224P97.7Very high95.3Very high10 Ų1028 Ų287%0.06516%0.163CC..Hα-helixtrans-58.5-34.7-176.1-29.537.9000115.5R13 L14 D226 Y227 L228 I309 V325 V327R13-P224 VanDerWaalsContact O-CD 3.3Å; R13-P224 WeakPolarHBondContact O-CD 3.34Å; L14-P224 HydrophobicContact CD1-CG 4.44Å; P224-D226 VanDerWaalsContact C-N 3.34Å; P224-Y227 WeakPolarHBondContact O-CB 3.19Å; P224-Y227 PolarHBondContact O-N 2.97Å; P224-L228 WeakPolarHBondContact O-CG 3.5Å; P224-L228 PolarHBondContact O-N 3.29Å; P224-I309 HydrophobicContact CB-CD1 4.05Å; P224-V325 HydrophobicContact CB-CG1 3.73Å; P224-V327 HydrophobicContact CB-CG2 3.52Å; P224-V327 HydrophobicContact CG-CG2 3.84Å
225A97Very high95.9Very high37 Ų3727.2 Ų27.231%0.30616%0.159SC..Hα-helixtrans-64.9-40175.400000111.8Q223 Y227 L228 T229 V325Q223-A225 VanDerWaalsContact C-N 3.31Å; Q223-A225 HydrophobicContact CG-CB 4.22Å; Q223-A225 PolarHBondContact O-N 3.02Å; A225-Y227 VanDerWaalsContact C-N 3.35Å; A225-L228 PolarHBondContact O-N 3.12Å; A225-T229 PolarHBondContact O-N 3.43Å; A225-T229 PolarHBondContact O-OG1 2.71Å; A225-V325 HydrophobicContact CB-CG1 4.29Å; A225-V325 HydrophobicContact CB-CG2 4.34Å
226D96.1Very high96.4Very high27 Ų2725.3 Ų25.314%0.14415%0.149CC..Hα-helixtrans-68.2-38.7176.2-47-29.2000110M219 D220 Q223 P224 L228 T229 G230M219-D226 HydrophobicContact SD-CB 4.36Å; D220-D226 VanDerWaalsContact O-CB 3.25Å; D220-D226 WeakPolarHBondContact O-CB 3.47Å; Q223-D226 HydrophobicContact CG-CB 4.47Å; Q223-D226 VanDerWaalsContact CG-OD2 3.22Å; Q223-D226 WeakPolarHBondContact CG-OD2 3.48Å; Q223-D226 PolarHBondContact N-OD2 2.65Å; Q223-D226 PolarHBondContact NE2-OD1 2.75Å; Q223-D226 PolarHBondContact NE2-OD2 2.83Å; Q223-D226 VanDerWaalsContact NE2-OD2 3.1Å; Q223-D226 WeakPolarHBondContact O-CB 3.47Å; Q223-D226 PolarHBondContact O-N 3.45Å; P224-D226 VanDerWaalsContact C-N 3.34Å; D226-L228 PolarHBondContact O-N 3.26Å; D226-T229 PolarHBondContact O-N 3.46Å; D226-G230 PolarHBondContact O-N 3.04Å
227Y98.3Very high96.8Very high1 Ų124.6 Ų24.60%0.00413%0.13CC..Hα-helixtrans-54.8-53.4172.8-179.3-75.8000111.6V26 E27 F28 I221 Q223 P224 A225 T229 G230 M231 A292 F294 I309V26-Y227 HydrophobicContact CG1-CE2 4.1Å; E27-Y227 VanDerWaalsContact O-CE2 3.24Å; E27-Y227 WeakPolarHBondContact O-CE2 3.46Å; E27-Y227 VanDerWaalsContact O-CZ 3.3Å; E27-Y227 PolarHBondContact O-OH 3.17Å; F28-Y227 WeakPolarHBondContact CA-OH 3.5Å; F28-Y227 HydrophobicContact CB-CE2 4.27Å; F28-Y227 HydrophobicContact CD2-CD2 4.07Å; F28-Y227 AromaticContact CD2-CE2 3.73Å; F28-Y227 HydrophobicContact CD2-CE2 3.73Å; F28-Y227 HydrophobicContact CG-CE2 4.45Å; I221-Y227 HydrophobicContact CG2-CD2 3.81Å; I221-Y227 HydrophobicContact CG2-CG 4.32Å; Q223-Y227 PolarHBondContact O-N 2.91Å; P224-Y227 WeakPolarHBondContact O-CB 3.19Å; P224-Y227 PolarHBondContact O-N 2.97Å; A225-Y227 VanDerWaalsContact C-N 3.35Å; Y227-T229 VanDerWaalsContact C-N 3.31Å; Y227-T229 PolarHBondContact O-N 2.92Å; Y227-G230 PolarHBondContact O-N 3.15Å; Y227-M231 HydrophobicContact CE1-CB 4.49Å; Y227-M231 WeakPolarHBondContact O-CB 3.43Å; Y227-M231 PolarHBondContact O-N 2.84Å; Y227-A292 HydrophobicContact CE1-CB 3.74Å; Y227-F294 HydrophobicContact CE1-CE1 4.46Å; Y227-F294 HydrophobicContact CE2-CZ 4.14Å; Y227-F294 AromaticContact CZ-CE1 3.9Å; Y227-F294 AromaticContact CZ-CZ 3.83Å; Y227-F294 VanDerWaalsContact OH-CE1 3.22Å; Y227-F294 WeakPolarHBondContact OH-CE1 3.03Å; Y227-I309 HydrophobicContact CD1-CD1 3.51Å; Y227-I309 HydrophobicContact CD1-CG1 4.13Å; Y227-I309 HydrophobicContact CE1-CD1 4.19Å; Y227-I309 HydrophobicContact CE1-CG1 4.47Å; Y227-I309 HydrophobicContact CG-CD1 3.89Å
228L98.5Very high96.9Very high3 Ų324.2 Ų24.22%0.01613%0.129CC..Hα-helixtrans-63.3-39.1-178.5-70.6176.4000111.8P224 A225 D226 M231 R232 N307 I309 V325P224-L228 WeakPolarHBondContact O-CG 3.5Å; P224-L228 PolarHBondContact O-N 3.29Å; A225-L228 PolarHBondContact O-N 3.12Å; D226-L228 PolarHBondContact O-N 3.26Å; L228-M231 HydrophobicContact CD2-CE 4.06Å; L228-M231 PolarHBondContact O-N 3.3Å; L228-R232 VanDerWaalsContact O-CG 3.3Å; L228-R232 WeakPolarHBondContact O-CG 3.3Å; L228-R232 PolarHBondContact O-N 3.49Å; L228-R232 VanDerWaalsContact O-N 3.13Å; L228-N307 HydrophobicContact CD1-CB 4.27Å; L228-I309 HydrophobicContact CD2-CD1 4.28Å; L228-I309 HydrophobicContact CD2-CG1 3.66Å; L228-I309 HydrophobicContact CG-CD1 4.23Å; L228-I309 HydrophobicContact CG-CG1 4.03Å; L228-V325 HydrophobicContact CD1-CG1 4.19Å; L228-V325 HydrophobicContact CD1-CG2 4.36Å
229T97.5Very high96.9Very high59 Ų5930.5 Ų30.536%0.36215%0.153SC..Hα-helixtrans-69.4-44.2178.1-56.50000111M219 A225 D226 Y227 M231 R232 L233M219-T229 HydrophobicContact CE-CG2 3.24Å; A225-T229 PolarHBondContact O-N 3.43Å; A225-T229 PolarHBondContact O-OG1 2.71Å; D226-T229 PolarHBondContact O-N 3.46Å; Y227-T229 VanDerWaalsContact C-N 3.31Å; Y227-T229 PolarHBondContact O-N 2.92Å; T229-M231 VanDerWaalsContact C-N 3.32Å; T229-M231 PolarHBondContact O-N 3.23Å; T229-R232 WeakPolarHBondContact O-CB 3.45Å; T229-R232 PolarHBondContact O-N 3.08Å; T229-L233 WeakPolarHBondContact O-CG 3.19Å; T229-L233 PolarHBondContact O-N 3.05Å
230G97.8Very high97Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-58-43.4173.300000112F28 D226 Y227 R232 L233 Y234F28-G230 VanDerWaalsContact CZ-C 3.41Å; F28-G230 WeakPolarHBondContact CZ-O 3.42Å; D226-G230 PolarHBondContact O-N 3.04Å; Y227-G230 PolarHBondContact O-N 3.15Å; G230-R232 VanDerWaalsContact C-N 3.35Å; G230-R232 PolarHBondContact O-N 3.19Å; G230-L233 WeakPolarHBondContact O-CB 3.44Å; G230-L233 PolarHBondContact O-N 3.35Å; G230-Y234 WeakPolarHBondContact O-CB 3.48Å; G230-Y234 PolarHBondContact O-N 2.98Å
231M98.3Very high97Very high0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-58.9-44.7176.3179.1-168.366.200111.5F28 Y227 L228 T229 Y234 L235 N273 T275 A292F28-M231 HydrophobicContact CE2-CB 4.21Å; F28-M231 HydrophobicContact CZ-CB 4.31Å; Y227-M231 HydrophobicContact CE1-CB 4.49Å; Y227-M231 WeakPolarHBondContact O-CB 3.43Å; Y227-M231 PolarHBondContact O-N 2.84Å; L228-M231 HydrophobicContact CD2-CE 4.06Å; L228-M231 PolarHBondContact O-N 3.3Å; T229-M231 VanDerWaalsContact C-N 3.32Å; T229-M231 PolarHBondContact O-N 3.23Å; M231-Y234 PolarHBondContact O-N 3.34Å; M231-L235 HydrophobicContact CG-CD1 4.04Å; M231-L235 HydrophobicContact CG-CG 4.42Å; M231-L235 WeakPolarHBondContact O-CB 3.49Å; M231-L235 VanDerWaalsContact O-CG 3.26Å; M231-L235 WeakPolarHBondContact O-CG 3.32Å; M231-L235 PolarHBondContact O-N 3.31Å; M231-N273 WeakPolarHBondContact CE-O 3.32Å; M231-T275 HydrophobicContact CG-CG2 3.81Å; M231-T275 HydrophobicContact SD-CG2 3.67Å; M231-A292 HydrophobicContact SD-CB 3.81Å
232R98.3Very high97Very high73 Ų7348.3 Ų48.328%0.27524%0.24SC..Hα-helixtrans-60.4-46.2176.1-66.5167.6-168.6177.95.2111.5L228 T229 G230 L235 G236 N273 N307L228-R232 VanDerWaalsContact O-CG 3.3Å; L228-R232 WeakPolarHBondContact O-CG 3.3Å; L228-R232 PolarHBondContact O-N 3.49Å; L228-R232 VanDerWaalsContact O-N 3.13Å; T229-R232 WeakPolarHBondContact O-CB 3.45Å; T229-R232 PolarHBondContact O-N 3.08Å; G230-R232 VanDerWaalsContact C-N 3.35Å; G230-R232 PolarHBondContact O-N 3.19Å; R232-L235 PolarHBondContact O-N 3.39Å; R232-G236 PolarHBondContact O-N 2.82Å; R232-N273 HydrophobicContact CB-CB 4.41Å; R232-N273 HydrophobicContact CG-CB 3.67Å; R232-N307 VanDerWaalsContact NH2-CG 3.28Å; R232-N307 PolarHBondContact NH2-OD1 2.92Å
233L97.5Very high97.1Very high71 Ų7149.4 Ų49.437%0.37225%0.248SC..Hα-helixtrans-60.9-45.2177.9-71.4174.4000111.7F217 M219 T229 G230 G236 H237F217-L233 HydrophobicContact CB-CB 3.97Å; F217-L233 HydrophobicContact CD2-CB 3.85Å; F217-L233 HydrophobicContact CG-CB 4.16Å; M219-L233 HydrophobicContact CE-CD1 4.38Å; T229-L233 WeakPolarHBondContact O-CG 3.19Å; T229-L233 PolarHBondContact O-N 3.05Å; G230-L233 WeakPolarHBondContact O-CB 3.44Å; G230-L233 PolarHBondContact O-N 3.35Å; L233-G236 PolarHBondContact O-N 2.68Å; L233-H237 WeakPolarHBondContact O-CB 3.25Å; L233-H237 PolarHBondContact O-N 2.53Å
234Y97.9Very high97.1Very high25 Ų2552.5 Ų52.510%0.09827%0.274CS..Hα-helixtrans-62.4-46.9176.8177-106.5000112.2F28 A29 H36 F217 G230 M231 G236 H237 L238F28-Y234 AromaticContact CE1-CD1 3.91Å; F28-Y234 HydrophobicContact CE1-CD1 3.91Å; F28-Y234 HydrophobicContact CE1-CD2 4.25Å; F28-Y234 AromaticContact CE1-CG 3.66Å; F28-Y234 HydrophobicContact CE1-CG 3.66Å; F28-Y234 HydrophobicContact CZ-CG 4.4Å; A29-Y234 HydrophobicContact CB-CD1 3.56Å; A29-Y234 HydrophobicContact CB-CE1 3.34Å; H36-Y234 AromaticContact CE1-CZ 3.96Å; F217-Y234 HydrophobicContact CE1-CD2 4.26Å; F217-Y234 HydrophobicContact CE2-CD2 4.36Å; F217-Y234 AromaticContact CZ-CD2 3.66Å; F217-Y234 HydrophobicContact CZ-CD2 3.66Å; F217-Y234 HydrophobicContact CZ-CG 4.44Å; G230-Y234 WeakPolarHBondContact O-CB 3.48Å; G230-Y234 PolarHBondContact O-N 2.98Å; M231-Y234 PolarHBondContact O-N 3.34Å; Y234-G236 VanDerWaalsContact C-N 3.3Å; Y234-G236 PolarHBondContact O-N 3.23Å; Y234-H237 WeakPolarHBondContact O-CB 3.31Å; Y234-H237 PolarHBondContact O-N 3.34Å; Y234-L238 HydrophobicContact CD1-CD1 4.08Å; Y234-L238 HydrophobicContact CD1-CG 4.29Å; Y234-L238 HydrophobicContact CE1-CD1 3.48Å; Y234-L238 VanDerWaalsContact CE1-CD1 3.48Å; Y234-L238 HydrophobicContact CE1-CD2 4.32Å; Y234-L238 HydrophobicContact CE1-CG 3.91Å; Y234-L238 HydrophobicContact CE2-CD2 4.16Å; Y234-L238 HydrophobicContact CE2-CG 4.36Å; Y234-L238 WeakPolarHBondContact O-CG 3.22Å; Y234-L238 PolarHBondContact O-N 3.26Å
235L98.2Very high96.9Very high0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-63.6-37177.4-70.2176.7000111.9M231 R232 L238 Y239 L246 N255 L257 N273 T275M231-L235 HydrophobicContact CG-CD1 4.04Å; M231-L235 HydrophobicContact CG-CG 4.42Å; M231-L235 WeakPolarHBondContact O-CB 3.49Å; M231-L235 VanDerWaalsContact O-CG 3.26Å; M231-L235 WeakPolarHBondContact O-CG 3.32Å; M231-L235 PolarHBondContact O-N 3.31Å; R232-L235 PolarHBondContact O-N 3.39Å; L235-L238 HydrophobicContact CD2-CD1 4.36Å; L235-L238 PolarHBondContact O-N 3.06Å; L235-Y239 PolarHBondContact O-N 2.91Å; L235-Y239 VanDerWaalsContact O-N 3.11Å; L235-L246 HydrophobicContact CD2-CD2 3.8Å; L235-N255 HydrophobicContact CB-CB 3.85Å; L235-L257 HydrophobicContact CD2-CB 3.94Å; L235-N273 HydrophobicContact CD1-CB 4.25Å; L235-T275 HydrophobicContact CD1-CG2 4.06Å; L235-T275 HydrophobicContact CD2-CG2 4.2Å; L235-T275 HydrophobicContact CG-CG2 4.45Å
236G97.6Very high96.9Very high18 Ų1855 Ų5519%0.18628%0.281CS..Hα-helixtrans-61.2-45.8170.700000112.5R232 L233 Y234 L238 Y239 E240R232-G236 PolarHBondContact O-N 2.82Å; L233-G236 PolarHBondContact O-N 2.68Å; Y234-G236 VanDerWaalsContact C-N 3.3Å; Y234-G236 PolarHBondContact O-N 3.23Å; G236-L238 PolarHBondContact O-N 3.24Å; G236-Y239 WeakPolarHBondContact O-CB 3.29Å; G236-Y239 PolarHBondContact O-N 3.21Å; G236-Y239 VanDerWaalsContact O-N 3.13Å; G236-E240 WeakPolarHBondContact O-CG 3.2Å; G236-E240 PolarHBondContact O-N 2.96Å
237H96.7Very high96.9Very high43 Ų4355.9 Ų55.920%0.19929%0.287CS..Hα-helixtrans-61.3-42.8175.1172.867000112.6F217 L233 Y234 Y239 E240 C241F217-H237 HydrophobicContact CD1-CB 3.42Å; F217-H237 VanDerWaalsContact CD1-CB 3.42Å; F217-H237 AromaticContact CD1-CG 3.56Å; F217-H237 HydrophobicContact CE1-CB 3.68Å; F217-H237 AromaticContact CE1-CD2 3.5Å; F217-H237 AromaticContact CE1-CG 3.54Å; F217-H237 HydrophobicContact CG-CB 4.34Å; L233-H237 WeakPolarHBondContact O-CB 3.25Å; L233-H237 PolarHBondContact O-N 2.53Å; Y234-H237 WeakPolarHBondContact O-CB 3.31Å; Y234-H237 PolarHBondContact O-N 3.34Å; H237-Y239 PolarHBondContact O-N 3.5Å; H237-E240 PolarHBondContact O-N 3.16Å; H237-C241 PolarHBondContact CE1-SG 2.72Å; H237-C241 WeakPolarHBondContact O-CB 3.39Å; H237-C241 PolarHBondContact O-N 3.21Å
238L96.8Very high96.7Very high11 Ų1162.9 Ų62.96%0.05833%0.33CS..Hα-helixtrans-58.8-37.5174.6-69.6-172000111.9Y234 L235 G236 K242 S243 L245 L246 L257Y234-L238 HydrophobicContact CD1-CD1 4.08Å; Y234-L238 HydrophobicContact CD1-CG 4.29Å; Y234-L238 HydrophobicContact CE1-CD1 3.48Å; Y234-L238 VanDerWaalsContact CE1-CD1 3.48Å; Y234-L238 HydrophobicContact CE1-CD2 4.32Å; Y234-L238 HydrophobicContact CE1-CG 3.91Å; Y234-L238 HydrophobicContact CE2-CD2 4.16Å; Y234-L238 HydrophobicContact CE2-CG 4.36Å; Y234-L238 WeakPolarHBondContact O-CG 3.22Å; Y234-L238 PolarHBondContact O-N 3.26Å; L235-L238 HydrophobicContact CD2-CD1 4.36Å; L235-L238 PolarHBondContact O-N 3.06Å; G236-L238 PolarHBondContact O-N 3.24Å; L238-K242 PolarHBondContact O-N 3.01Å; L238-S243 WeakPolarHBondContact O-CB 3.5Å; L238-S243 PolarHBondContact O-N 3.29Å; L238-L245 HydrophobicContact CD1-CB 4.15Å; L238-L245 HydrophobicContact CD2-CD1 4.32Å; L238-L246 HydrophobicContact CB-CD1 4.05Å; L238-L246 HydrophobicContact CB-CD2 4.09Å; L238-L246 HydrophobicContact CB-CG 3.88Å; L238-L246 HydrophobicContact CD1-CD2 4.07Å; L238-L246 HydrophobicContact CD1-CG 4.4Å; L238-L257 HydrophobicContact CD1-CD1 4.14Å
239Y96.9Very high96.4Very high154 Ų15465.8 Ų65.860%0.60435%0.345SS*.Hα-helixtrans-66.5-47.8176.2174.4-95.7000111.9L235 G236 H237 C241 K242 N255L235-Y239 PolarHBondContact O-N 2.91Å; L235-Y239 VanDerWaalsContact O-N 3.11Å; G236-Y239 WeakPolarHBondContact O-CB 3.29Å; G236-Y239 PolarHBondContact O-N 3.21Å; G236-Y239 VanDerWaalsContact O-N 3.13Å; H237-Y239 PolarHBondContact O-N 3.5Å; Y239-C241 VanDerWaalsContact C-N 3.27Å; Y239-C241 PolarHBondContact O-N 3.2Å; Y239-K242 PolarHBondContact O-N 2.94Å; Y239-N255 WeakPolarHBondContact CB-OD1 3.49Å; Y239-N255 WeakPolarHBondContact CD2-OD1 3.25Å
240E96Very high96Very high151 Ų15169.1 Ų69.171%0.70637%0.368SS*.Hα-helixtrans-57.6-41176.6-70.7173.8178.600112G236 H237 K242G236-E240 WeakPolarHBondContact O-CG 3.2Å; G236-E240 PolarHBondContact O-N 2.96Å; H237-E240 PolarHBondContact O-N 3.16Å; E240-K242 PolarHBondContact O-N 3.28Å
241C94.8Very high95.7Very high77 Ų7774.5 Ų74.552%0.5240%0.397SS..THydrogen-bonded Turntrans-78.90.5176.8-68.20000114.2H237 Y239 S243H237-C241 PolarHBondContact CE1-SG 2.72Å; H237-C241 WeakPolarHBondContact O-CB 3.39Å; H237-C241 PolarHBondContact O-N 3.21Å; Y239-C241 VanDerWaalsContact C-N 3.27Å; Y239-C241 PolarHBondContact O-N 3.2Å; C241-S243 PolarHBondContact O-N 2.9Å
242K95.9Very high95.6Very high189 Ų18975.7 Ų75.782%0.82240%0.403SS*.THydrogen-bonded Turntrans51.140.7-174.9-56.2178.9-178.2177.50112.2L238 Y239 E240L238-K242 PolarHBondContact O-N 3.01Å; Y239-K242 PolarHBondContact O-N 2.94Å; E240-K242 PolarHBondContact O-N 3.28Å
243S95.5Very high95.5Very high24 Ų2475.6 Ų75.617%0.16841%0.407CS..  trans-65.4134.7-174.5-1770000111.2L238 C241 L245 L246L238-S243 WeakPolarHBondContact O-CB 3.5Å; L238-S243 PolarHBondContact O-N 3.29Å; C241-S243 PolarHBondContact O-N 2.9Å; S243-L245 PolarHBondContact O-N 3.25Å; S243-L245 VanDerWaalsContact O-N 3.09Å; S243-L245 PolarHBondContact OG-N 2.86Å; S243-L246 PolarHBondContact O-N 2.93Å
244P95.2Very high95.5Very high130 Ų13075 Ų7584%0.84442%0.418SS*.THydrogen-bonded Turntrans-69.6-3.4175.331.4-36.9000113.1L246P244-L246 VanDerWaalsContact C-N 3.33Å
245L94.6Very high95.5Very high73 Ų7375.2 Ų75.238%0.38242%0.421SS..THydrogen-bonded Turntrans-73.4-24.2175.9-64.9177.7000113L238 S243 L257L238-L245 HydrophobicContact CD1-CB 4.15Å; L238-L245 HydrophobicContact CD2-CD1 4.32Å; S243-L245 PolarHBondContact O-N 3.25Å; S243-L245 VanDerWaalsContact O-N 3.09Å; S243-L245 PolarHBondContact OG-N 2.86Å; L245-L257 HydrophobicContact CB-CD1 4.37Å
246L96.7Very high95.5Very high26 Ų2675.2 Ų75.214%0.13642%0.421CS..SBendtrans-73.5135.3174.8-68.6-179.5000109.9L235 L238 S243 P244 V248 N255L235-L246 HydrophobicContact CD2-CD2 3.8Å; L238-L246 HydrophobicContact CB-CD1 4.05Å; L238-L246 HydrophobicContact CB-CD2 4.09Å; L238-L246 HydrophobicContact CB-CG 3.88Å; L238-L246 HydrophobicContact CD1-CD2 4.07Å; L238-L246 HydrophobicContact CD1-CG 4.4Å; S243-L246 PolarHBondContact O-N 2.93Å; P244-L246 VanDerWaalsContact C-N 3.33Å; L246-V248 PolarHBondContact O-N 2.93Å; L246-N255 HydrophobicContact CD2-CB 4.37Å
247T96.7Very high95.5Very high46 Ų4675.1 Ų75.128%0.28242%0.416SS..  trans-76.8124-180-55.20000109.8D249 L252 V256 V258T247-D249 HydrophobicContact CG2-CB 4.49Å; T247-L252 HydrophobicContact CG2-CD1 3.61Å; T247-V256 PolarHBondContact N-O 3.19Å; T247-V258 HydrophobicContact CG2-CB 4.21Å; T247-V258 HydrophobicContact CG2-CG2 4.09Å; T247-V258 WeakPolarHBondContact OG1-CB 3.44Å; T247-V258 PolarHBondContact OG1-N 2.9Å
248V93.2Very high95.6Very high148 Ų14874.4 Ų74.490%0.89742%0.415SS*.  trans-96.1102.9175.5-176.80000108.7L246L246-V248 PolarHBondContact O-N 2.93Å
249D92.3Very high95.7Very high64 Ų6476.7 Ų76.734%0.34243%0.425SS..  trans-146.5129.9175.4178.1-29.2000108.7T247 N251 L252T247-D249 HydrophobicContact CG2-CB 4.49Å; D249-N251 PolarHBondContact O-N 2.85Å; D249-N251 VanDerWaalsContact O-N 3.12Å; D249-N251 WeakPolarHBondContact OD1-CB 3.4Å; D249-N251 PolarHBondContact OD1-N 3.22Å; D249-N251 PolarHBondContact OD1-ND2 2.58Å; D249-L252 HydrophobicContact CB-CD1 3.8Å; D249-L252 HydrophobicContact CB-CG 3.83Å; D249-L252 WeakPolarHBondContact O-CB 3.25Å; D249-L252 PolarHBondContact O-N 2.75Å
250P89.4Confident95.7Very high129 Ų12977.9 Ų77.984%0.83844%0.436SS*.THydrogen-bonded Turntrans-61.5-17.2-178.826.2-36.3000114.7
251N90.4Very high95.8Very high112 Ų11273.9 Ų73.960%0.59942%0.422SS*.THydrogen-bonded Turntrans-86-11.8176.5-56.6-65.7000113D249D249-N251 PolarHBondContact O-N 2.85Å; D249-N251 VanDerWaalsContact O-N 3.12Å; D249-N251 WeakPolarHBondContact OD1-CB 3.4Å; D249-N251 PolarHBondContact OD1-N 3.22Å; D249-N251 PolarHBondContact OD1-ND2 2.58Å
252L96.6Very high95.9Very high25 Ų2571.1 Ų71.113%0.13140%0.404CS..BIsolated β-bridgetrans-88.8148.6176.3-59179.2000110.6T247 D249 V256 V258 I270T247-L252 HydrophobicContact CG2-CD1 3.61Å; D249-L252 HydrophobicContact CB-CD1 3.8Å; D249-L252 HydrophobicContact CB-CG 3.83Å; D249-L252 WeakPolarHBondContact O-CB 3.25Å; D249-L252 PolarHBondContact O-N 2.75Å; L252-V256 HydrophobicContact CB-CB 4.43Å; L252-V256 HydrophobicContact CB-CG2 4.28Å; L252-V256 HydrophobicContact CD1-CB 4.07Å; L252-V256 HydrophobicContact CD1-CG1 4Å; L252-V256 HydrophobicContact CD2-CG1 4.24Å; L252-V258 HydrophobicContact CD1-CG2 4.19Å; L252-I270 WeakPolarHBondContact CA-O 3.41Å; L252-I270 HydrophobicContact CD2-CB 3.65Å; L252-I270 HydrophobicContact CD2-CD1 4.43Å; L252-I270 HydrophobicContact CD2-CG2 3.95Å
253I96.9Very high96Very high72 Ų7269.2 Ų69.237%0.36940%0.396SS..  trans-114116.1-176.1-57.7172.3000108.5R269 I270 G271 P272I253-R269 HydrophobicContact CD1-CB 4.38Å; I253-I270 PolarHBondContact N-O 3.24Å; I253-G271 CarbonylContact O-C 3.52Å; I253-G271 VanDerWaalsContact O-CA 3.27Å; I253-G271 WeakPolarHBondContact O-CA 3.23Å; I253-P272 WeakPolarHBondContact O-CA 3.48Å
254G96.6Very high96.2Very high58 Ų5871.3 Ų71.360%0.59841%0.405SS*.SBendtrans65.1-145.4177.800000113.4V256G254-V256 PolarHBondContact O-N 3.29Å
255N97.8Very high96.3Very high29 Ų2966.1 Ų66.116%0.15538%0.375CS..SBendtrans-83.5109.7-171.2-53.4-28.6000110.9L235 Y239 L246 N273 V274L235-N255 HydrophobicContact CB-CB 3.85Å; Y239-N255 WeakPolarHBondContact CB-OD1 3.49Å; Y239-N255 WeakPolarHBondContact CD2-OD1 3.25Å; L246-N255 HydrophobicContact CD2-CB 4.37Å; N255-N273 WeakPolarHBondContact O-CA 3.41Å; N255-N273 PolarHBondContact O-N 2.94Å; N255-V274 PolarHBondContact O-N 3.3Å
256V98.6Very high96.4Very high1 Ų170 Ų701%0.00639%0.391CS..EExtended strand (participates in β ladder)trans-132.7139.4179.5-178.10000109.5T247 L252 G254 V258 I270 V274T247-V256 PolarHBondContact N-O 3.19Å; L252-V256 HydrophobicContact CB-CB 4.43Å; L252-V256 HydrophobicContact CB-CG2 4.28Å; L252-V256 HydrophobicContact CD1-CB 4.07Å; L252-V256 HydrophobicContact CD1-CG1 4Å; L252-V256 HydrophobicContact CD2-CG1 4.24Å; G254-V256 PolarHBondContact O-N 3.29Å; V256-V258 HydrophobicContact CG1-CG2 3.79Å; V256-I270 HydrophobicContact CG1-CG2 3.93Å; V256-I270 HydrophobicContact CG2-CG2 4.43Å; V256-V274 WeakPolarHBondContact CA-O 3.43Å; V256-V274 HydrophobicContact CG1-CB 4.21Å; V256-V274 WeakPolarHBondContact CG1-O 3.32Å; V256-V274 HydrophobicContact CG2-CB 4.39Å
257L98.3Very high96.4Very high15 Ų1572.2 Ų72.28%0.07942%0.42CS..EExtended strand (participates in β ladder)trans-121.4117.2175.7-172.2159.3000108.9A29 N30 L235 L238 L245 V274 T275 I276A29-L257 HydrophobicContact CB-CD1 4.32Å; N30-L257 HydrophobicContact CB-CD2 4.07Å; N30-L257 WeakPolarHBondContact ND2-CD2 3.37Å; L235-L257 HydrophobicContact CD2-CB 3.94Å; L238-L257 HydrophobicContact CD1-CD1 4.14Å; L245-L257 HydrophobicContact CB-CD1 4.37Å; L257-V274 PolarHBondContact N-O 3.29Å; L257-T275 HydrophobicContact CB-CG2 4.35Å; L257-T275 CarbonylContact O-C 3.59Å; L257-T275 WeakPolarHBondContact O-CA 3.16Å; L257-I276 PolarHBondContact O-N 2.84Å
258V98.3Very high96.5Very high29 Ų2970.9 Ų70.918%0.17641%0.412CS..EExtended strand (participates in β ladder)trans-117.3126.1-179.1-171.40000109.3T247 L252 V256 A262 I264 I276T247-V258 HydrophobicContact CG2-CB 4.21Å; T247-V258 HydrophobicContact CG2-CG2 4.09Å; T247-V258 WeakPolarHBondContact OG1-CB 3.44Å; T247-V258 PolarHBondContact OG1-N 2.9Å; L252-V258 HydrophobicContact CD1-CG2 4.19Å; V256-V258 HydrophobicContact CG1-CG2 3.79Å; V258-A262 HydrophobicContact CG1-CB 3.83Å; V258-I264 HydrophobicContact CG1-CD1 4.05Å; V258-I264 HydrophobicContact CG2-CD1 4.24Å; V258-I276 HydrophobicContact CG1-CB 4.21Å; V258-I276 HydrophobicContact CG1-CG2 4.16Å; V258-I276 HydrophobicContact CG2-CD1 4.11Å
259H98.1Very high96.7Very high59 Ų5971.1 Ų71.127%0.27340%0.397SS..  trans-66.4141.1171.4-165.2-86.4000110.3T261 A262 I276 A278H259-T261 PolarHBondContact CE1-OG1 2.79Å; H259-T261 PolarHBondContact ND1-N 3.19Å; H259-T261 PolarHBondContact ND1-OG1 3.04Å; H259-T261 PolarHBondContact O-N 3.21Å; H259-A262 VanDerWaalsContact O-CB 3.28Å; H259-A262 WeakPolarHBondContact O-CB 3.49Å; H259-A262 PolarHBondContact O-N 2.81Å; H259-I276 WeakPolarHBondContact CB-O 3.1Å; H259-I276 PolarHBondContact N-O 2.97Å; H259-A278 HydrophobicContact CB-CB 4.5Å
260E96.9Very high97Very high178 Ų17868.1 Ų68.183%0.83238%0.381SS*.THydrogen-bonded Turntrans-57.3-26.3-175.466.2-174.2-174.800114.7
261T98.1Very high97.5Very high68 Ų6862.3 Ų62.342%0.41735%0.345SS..THydrogen-bonded Turntrans-88.5-5.8179.761.30000113.9H259 A278 G279H259-T261 PolarHBondContact CE1-OG1 2.79Å; H259-T261 PolarHBondContact ND1-N 3.19Å; H259-T261 PolarHBondContact ND1-OG1 3.04Å; H259-T261 PolarHBondContact O-N 3.21Å; T261-A278 WeakPolarHBondContact OG1-CA 3.38Å; T261-G279 PolarHBondContact OG1-N 2.94Å
262A98.4Very high97.8Very high18 Ų1859.4 Ų59.415%0.14933%0.332CS..  trans-73.5149.7177.300000111V258 H259 I276 V280V258-A262 HydrophobicContact CG1-CB 3.83Å; H259-A262 VanDerWaalsContact O-CB 3.28Å; H259-A262 WeakPolarHBondContact O-CB 3.49Å; H259-A262 PolarHBondContact O-N 2.81Å; A262-I276 HydrophobicContact CB-CG2 3.49Å; A262-I276 VanDerWaalsContact CB-CG2 3.49Å; A262-V280 CarbonylContact C-O 3.57Å; A262-V280 VanDerWaalsContact CA-O 3.28Å; A262-V280 WeakPolarHBondContact CA-O 3.39Å; A262-V280 HydrophobicContact CB-CB 4.35Å
263K98.4Very high97.9Very high150 Ų15059.6 Ų59.665%0.65233%0.333SS*.EExtended strand (participates in β ladder)trans-121.8126.7179.3-62.7-178.9-178.1178.80109.3V280 I282K263-V280 PolarHBondContact N-O 2.95Å; K263-I282 PolarHBondContact O-N 2.86Å
264I98.3Very high98Very high67 Ų6756.1 Ų56.134%0.34432%0.315SS..EExtended strand (participates in β ladder)trans-117.3125.7179.9-62.4165.9000108.3V258 C268 I270 I276 I282V258-I264 HydrophobicContact CG1-CD1 4.05Å; V258-I264 HydrophobicContact CG2-CD1 4.24Å; I264-C268 HydrophobicContact CG2-CB 3.93Å; I264-I270 HydrophobicContact CB-CD1 4.44Å; I264-I270 HydrophobicContact CD1-CD1 3.72Å; I264-I270 HydrophobicContact CG1-CD1 3.96Å; I264-I270 HydrophobicContact CG2-CD1 3.59Å; I264-I276 HydrophobicContact CD1-CD1 4.09Å; I264-I282 CarbonylContact C-O 3.58Å; I264-I282 HydrophobicContact CG1-CB 4.46Å; I264-I282 HydrophobicContact CG1-CD1 4.27Å
265G97.9Very high98.1Very high21 Ų2153.4 Ų53.422%0.21629%0.287CS..  trans-74.4179.817800000113.7C268 I282 D284G265-C268 PolarHBondContact O-SG 2.78Å; G265-I282 PolarHBondContact N-O 2.96Å; G265-D284 VanDerWaalsContact CA-OD1 3.24Å; G265-D284 WeakPolarHBondContact CA-OD1 3.22Å
266H97.4Very high98.1Very high156 Ų15652 Ų5272%0.72228%0.28SS*.THydrogen-bonded Turntrans-76.3151.1-176.7-61.2-68.3000112.7C268 D284 G285H266-C268 PolarHBondContact O-N 3.44Å; H266-C268 VanDerWaalsContact O-N 3.14Å; H266-D284 PolarHBondContact N-OD1 2.86Å; H266-D284 CarbonylContact O-C 3.57Å; H266-D284 VanDerWaalsContact O-CA 3.27Å; H266-D284 WeakPolarHBondContact O-CA 3.32Å; H266-G285 PolarHBondContact O-N 2.92Å
267G96.8Very high98.1Very high72 Ų7252 Ų5274%0.74228%0.279SS*.THydrogen-bonded Turntrans6713.2174.500000115
268C98.1Very high98.1Very high17 Ų1752.6 Ų52.612%0.11529%0.286CS..  trans-70.3150.5175.3-63.40000111.5I264 G265 H266 I270 E283 V286I264-C268 HydrophobicContact CG2-CB 3.93Å; G265-C268 PolarHBondContact O-SG 2.78Å; H266-C268 PolarHBondContact O-N 3.44Å; H266-C268 VanDerWaalsContact O-N 3.14Å; C268-I270 HydrophobicContact CB-CD1 4.18Å; C268-I270 HydrophobicContact CB-CG1 4.25Å; C268-E283 PolarHBondContact SG-O 3.31Å; C268-V286 CarbonylContact C-O 3.5Å; C268-V286 VanDerWaalsContact CA-O 3.22Å; C268-V286 WeakPolarHBondContact CA-O 3.4Å; C268-V286 WeakPolarHBondContact CB-O 3.48Å
269R97.6Very high98.1Very high153 Ų15352.7 Ų52.758%0.57729%0.294SS*.EExtended strand (participates in β ladder)trans-123.9107.3165.5-71.2-174.7177.8-96.41.1108.9I253 V286 R287 I288I253-R269 HydrophobicContact CD1-CB 4.38Å; R269-V286 PolarHBondContact N-O 3Å; R269-R287 HydrophobicContact CB-CG 4.35Å; R269-R287 VanDerWaalsContact O-CA 3.28Å; R269-R287 WeakPolarHBondContact O-CA 3.33Å; R269-I288 PolarHBondContact O-N 2.75Å
270I98.6Very high98.2Very high1 Ų150 Ų501%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-117.4127.5-174.6-62.6167.5000109L252 I253 V256 I264 C268 V274 I276 I282L252-I270 WeakPolarHBondContact CA-O 3.41Å; L252-I270 HydrophobicContact CD2-CB 3.65Å; L252-I270 HydrophobicContact CD2-CD1 4.43Å; L252-I270 HydrophobicContact CD2-CG2 3.95Å; I253-I270 PolarHBondContact N-O 3.24Å; V256-I270 HydrophobicContact CG1-CG2 3.93Å; V256-I270 HydrophobicContact CG2-CG2 4.43Å; I264-I270 HydrophobicContact CB-CD1 4.44Å; I264-I270 HydrophobicContact CD1-CD1 3.72Å; I264-I270 HydrophobicContact CG1-CD1 3.96Å; I264-I270 HydrophobicContact CG2-CD1 3.59Å; C268-I270 HydrophobicContact CB-CD1 4.18Å; C268-I270 HydrophobicContact CB-CG1 4.25Å; I270-V274 HydrophobicContact CG2-CB 3.96Å; I270-V274 HydrophobicContact CG2-CG1 3.75Å; I270-V274 HydrophobicContact CG2-CG2 4.28Å; I270-I276 HydrophobicContact CD1-CD1 4.04Å; I270-I276 HydrophobicContact CG2-CD1 3.93Å; I270-I282 HydrophobicContact CD1-CD1 3.94Å
271G98.4Very high98.3Very high8 Ų844.8 Ų44.88%0.08226%0.258CS..  trans111.6170.1-179.300000113.7I253 I288I253-G271 CarbonylContact O-C 3.52Å; I253-G271 VanDerWaalsContact O-CA 3.27Å; I253-G271 WeakPolarHBondContact O-CA 3.23Å; G271-I288 PolarHBondContact N-O 2.82Å
272P98.2Very high98.3Very high50 Ų5041.7 Ų41.733%0.32524%0.239SC..SBendcis-76.4167.8-1.434.2-37.2000113.3I253 N290I253-P272 WeakPolarHBondContact O-CA 3.48Å; P272-N290 PolarHBondContact O-N 3.06Å
273N98.5Very high98.3Very high29 Ų2943.6 Ų43.616%0.15525%0.245CC..SBendtrans59.357.7171.2-48.4-50.2000113.5M231 R232 L235 N255 N290 S291M231-N273 WeakPolarHBondContact CE-O 3.32Å; R232-N273 HydrophobicContact CB-CB 4.41Å; R232-N273 HydrophobicContact CG-CB 3.67Å; L235-N273 HydrophobicContact CD1-CB 4.25Å; N255-N273 WeakPolarHBondContact O-CA 3.41Å; N255-N273 PolarHBondContact O-N 2.94Å; N273-N290 PolarHBondContact ND2-OD1 3.24Å; N273-N290 CarbonylContact O-C 3.58Å; N273-N290 WeakPolarHBondContact O-CA 3.29Å; N273-N290 PolarHBondContact O-N 3.23Å; N273-S291 PolarHBondContact O-N 3.29Å; N273-S291 VanDerWaalsContact O-N 3.16Å
274V98.8Very high98.3Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans-121.7135.6-179.6174.60000110.7N255 V256 L257 I270 I276 I288 S291N255-V274 PolarHBondContact O-N 3.3Å; V256-V274 WeakPolarHBondContact CA-O 3.43Å; V256-V274 HydrophobicContact CG1-CB 4.21Å; V256-V274 WeakPolarHBondContact CG1-O 3.32Å; V256-V274 HydrophobicContact CG2-CB 4.39Å; L257-V274 PolarHBondContact N-O 3.29Å; I270-V274 HydrophobicContact CG2-CB 3.96Å; I270-V274 HydrophobicContact CG2-CG1 3.75Å; I270-V274 HydrophobicContact CG2-CG2 4.28Å; V274-I276 HydrophobicContact CG1-CD1 4.12Å; V274-I276 HydrophobicContact CG1-CG1 3.89Å; V274-I288 HydrophobicContact CG1-CG2 3.92Å; V274-I288 HydrophobicContact CG2-CB 4.28Å; V274-I288 HydrophobicContact CG2-CG2 3.76Å; V274-S291 VanDerWaalsContact CA-O 3.31Å; V274-S291 WeakPolarHBondContact CA-O 3.47Å
275T98.7Very high98.3Very high1 Ų137.6 Ų37.61%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-116.5127.2169.662.50000109.7A29 M231 L235 L257 S291 A292 I293A29-T275 HydrophobicContact CB-CG2 4.12Å; M231-T275 HydrophobicContact CG-CG2 3.81Å; M231-T275 HydrophobicContact SD-CG2 3.67Å; L235-T275 HydrophobicContact CD1-CG2 4.06Å; L235-T275 HydrophobicContact CD2-CG2 4.2Å; L235-T275 HydrophobicContact CG-CG2 4.45Å; L257-T275 HydrophobicContact CB-CG2 4.35Å; L257-T275 CarbonylContact O-C 3.59Å; L257-T275 WeakPolarHBondContact O-CA 3.16Å; T275-S291 PolarHBondContact N-O 2.95Å; T275-A292 WeakPolarHBondContact OG1-CA 3.38Å; T275-A292 WeakPolarHBondContact OG1-CB 3.44Å; T275-I293 PolarHBondContact O-N 3.05Å
276I98.7Very high98.4Very high0 Ų036.6 Ų36.60%021%0.214CC..EExtended strand (participates in β ladder)trans-117.2113.8179.9-69.1162.9000108.6N30 L257 V258 H259 A262 I264 I270 V274 V280 I282 I293N30-I276 PolarHBondContact ND2-O 3.43Å; L257-I276 PolarHBondContact O-N 2.84Å; V258-I276 HydrophobicContact CG1-CB 4.21Å; V258-I276 HydrophobicContact CG1-CG2 4.16Å; V258-I276 HydrophobicContact CG2-CD1 4.11Å; H259-I276 WeakPolarHBondContact CB-O 3.1Å; H259-I276 PolarHBondContact N-O 2.97Å; A262-I276 HydrophobicContact CB-CG2 3.49Å; A262-I276 VanDerWaalsContact CB-CG2 3.49Å; I264-I276 HydrophobicContact CD1-CD1 4.09Å; I270-I276 HydrophobicContact CD1-CD1 4.04Å; I270-I276 HydrophobicContact CG2-CD1 3.93Å; V274-I276 HydrophobicContact CG1-CD1 4.12Å; V274-I276 HydrophobicContact CG1-CG1 3.89Å; I276-V280 HydrophobicContact CG2-CB 3.68Å; I276-V280 HydrophobicContact CG2-CG1 3.7Å; I276-V280 HydrophobicContact CG2-CG2 4.27Å; I276-I282 HydrophobicContact CD1-CD1 3.43Å; I276-I282 VanDerWaalsContact CD1-CD1 3.43Å; I276-I282 HydrophobicContact CG1-CD1 3.94Å; I276-I282 HydrophobicContact CG2-CD1 4.45Å; I276-I293 HydrophobicContact CG1-CG1 4.47Å
277G98.5Very high98.4Very high0 Ų035.8 Ų35.80%021%0.205CC..  trans-74.3-179.8-17600000115N30 V280 I293N30-G277 WeakPolarHBondContact OD1-CA 3.43Å; N30-G277 PolarHBondContact OD1-N 3.01Å; G277-V280 WeakPolarHBondContact O-CG2 3.49Å; G277-V280 PolarHBondContact O-N 2.87Å; G277-I293 PolarHBondContact N-O 3.11Å
278A97.9Very high98.5Very high27 Ų2732.4 Ų32.422%0.22317%0.17CC..THydrogen-bonded Turntrans-66.8134-175.300000112.1H259 T261 V280 S295 K296H259-A278 HydrophobicContact CB-CB 4.5Å; T261-A278 WeakPolarHBondContact OG1-CA 3.38Å; A278-V280 PolarHBondContact O-N 2.8Å; A278-S295 PolarHBondContact N-OG 2.9Å; A278-S295 CarbonylContact O-C 3.58Å; A278-S295 WeakPolarHBondContact O-CA 3.23Å; A278-S295 WeakPolarHBondContact O-CB 3.24Å; A278-K296 PolarHBondContact O-N 2.86Å
279G98.3Very high98.5Very high32 Ų3232.6 Ų32.633%0.3317%0.171SC..THydrogen-bonded Turntrans64.816.4177.300000114.4T261T261-G279 PolarHBondContact OG1-N 2.94Å
280V98.8Very high98.6Very high1 Ų126.7 Ų26.71%0.00615%0.151CC..  trans-67.2139.9172168.40000109.8A262 K263 I276 G277 A278 I282 I293 F294 S297A262-V280 CarbonylContact C-O 3.57Å; A262-V280 VanDerWaalsContact CA-O 3.28Å; A262-V280 WeakPolarHBondContact CA-O 3.39Å; A262-V280 HydrophobicContact CB-CB 4.35Å; K263-V280 PolarHBondContact N-O 2.95Å; I276-V280 HydrophobicContact CG2-CB 3.68Å; I276-V280 HydrophobicContact CG2-CG1 3.7Å; I276-V280 HydrophobicContact CG2-CG2 4.27Å; G277-V280 WeakPolarHBondContact O-CG2 3.49Å; G277-V280 PolarHBondContact O-N 2.87Å; A278-V280 PolarHBondContact O-N 2.8Å; V280-I282 HydrophobicContact CG1-CD1 4.35Å; V280-I282 HydrophobicContact CG1-CG1 4.01Å; V280-I293 HydrophobicContact CB-CG2 4.46Å; V280-I293 HydrophobicContact CG1-CB 4.44Å; V280-I293 HydrophobicContact CG1-CG2 3.67Å; V280-I293 HydrophobicContact CG2-CG2 3.88Å; V280-F294 VanDerWaalsContact CG2-O 3.25Å; V280-F294 WeakPolarHBondContact CG2-O 3.42Å; V280-S297 VanDerWaalsContact CA-O 3.28Å; V280-S297 WeakPolarHBondContact CA-O 3.34Å
281I98.9Very high98.6Very high70 Ų7026.7 Ų26.736%0.35915%0.151SC..EExtended strand (participates in β ladder)trans-117.4120.5174.3-58.4173.1000108.2S297 I298 I299I281-S297 PolarHBondContact N-O 2.87Å; I281-I298 HydrophobicContact CB-CG1 4.32Å; I281-I298 HydrophobicContact CB-CG2 4.35Å; I281-I298 CarbonylContact O-C 3.55Å; I281-I298 VanDerWaalsContact O-CA 3.31Å; I281-I298 WeakPolarHBondContact O-CA 3.36Å; I281-I299 PolarHBondContact O-N 2.92Å
282I98.8Very high98.6Very high2 Ų226.3 Ų26.31%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-111.3116.4172.2-67.6168.2000106.9K263 I264 G265 I270 I276 V280 V286 I288 I299K263-I282 PolarHBondContact O-N 2.86Å; I264-I282 CarbonylContact C-O 3.58Å; I264-I282 HydrophobicContact CG1-CB 4.46Å; I264-I282 HydrophobicContact CG1-CD1 4.27Å; G265-I282 PolarHBondContact N-O 2.96Å; I270-I282 HydrophobicContact CD1-CD1 3.94Å; I276-I282 HydrophobicContact CD1-CD1 3.43Å; I276-I282 VanDerWaalsContact CD1-CD1 3.43Å; I276-I282 HydrophobicContact CG1-CD1 3.94Å; I276-I282 HydrophobicContact CG2-CD1 4.45Å; V280-I282 HydrophobicContact CG1-CD1 4.35Å; V280-I282 HydrophobicContact CG1-CG1 4.01Å; I282-V286 HydrophobicContact CG2-CB 3.57Å; I282-V286 HydrophobicContact CG2-CG1 3.68Å; I282-V286 HydrophobicContact CG2-CG2 4.02Å; I282-I288 HydrophobicContact CD1-CD1 3.7Å; I282-I288 HydrophobicContact CG1-CD1 4.26Å; I282-I299 HydrophobicContact CG1-CB 4.31Å; I282-I299 HydrophobicContact CG1-CG1 4.23Å
283E98.8Very high98.6Very high59 Ų5923.9 Ų23.928%0.27613%0.132SC..  trans-78.7175.3177.1-65-178177.800111.9C268 V286 I299 K300 S301C268-E283 PolarHBondContact SG-O 3.31Å; E283-V286 WeakPolarHBondContact O-CG2 3.28Å; E283-I299 PolarHBondContact N-O 3Å; E283-K300 WeakPolarHBondContact OE2-CA 3.34Å; E283-K300 WeakPolarHBondContact OE2-CB 3.31Å; E283-S301 PolarHBondContact OE2-N 3.24Å; E283-S301 PolarHBondContact OE2-OG 2.87Å; E283-S301 VanDerWaalsContact OE2-OG 3.08Å
284D98.6Very high98.6Very high73 Ų7322.6 Ų22.639%0.3913%0.125SC..THydrogen-bonded Turntrans-58.8145.5-172.2-63.8-11000114.5G265 H266 V286 S301 H302G265-D284 VanDerWaalsContact CA-OD1 3.24Å; G265-D284 WeakPolarHBondContact CA-OD1 3.22Å; H266-D284 PolarHBondContact N-OD1 2.86Å; H266-D284 CarbonylContact O-C 3.57Å; H266-D284 VanDerWaalsContact O-CA 3.27Å; H266-D284 WeakPolarHBondContact O-CA 3.32Å; D284-V286 PolarHBondContact O-N 2.8Å; D284-S301 CarbonylContact O-C 3.46Å; D284-S301 WeakPolarHBondContact O-CA 3.33Å; D284-S301 WeakPolarHBondContact O-CB 3.21Å; D284-H302 PolarHBondContact O-N 3.12Å
285G98.3Very high98.6Very high17 Ų1723.4 Ų23.418%0.17513%0.131CC..THydrogen-bonded Turntrans69.88.6171.700000115.5H266H266-G285 PolarHBondContact O-N 2.92Å
286V98.8Very high98.6Very high0 Ų030.1 Ų30.10%016%0.159CC..  trans-69.4145.6178.8168.60000111.2C268 R269 I282 E283 D284 I288 I299 K300 S303C268-V286 CarbonylContact C-O 3.5Å; C268-V286 VanDerWaalsContact CA-O 3.22Å; C268-V286 WeakPolarHBondContact CA-O 3.4Å; C268-V286 WeakPolarHBondContact CB-O 3.48Å; R269-V286 PolarHBondContact N-O 3Å; I282-V286 HydrophobicContact CG2-CB 3.57Å; I282-V286 HydrophobicContact CG2-CG1 3.68Å; I282-V286 HydrophobicContact CG2-CG2 4.02Å; E283-V286 WeakPolarHBondContact O-CG2 3.28Å; D284-V286 PolarHBondContact O-N 2.8Å; V286-I288 HydrophobicContact CG1-CD1 3.87Å; V286-I288 HydrophobicContact CG1-CG1 3.62Å; V286-I299 HydrophobicContact CG1-CB 4.43Å; V286-I299 HydrophobicContact CG1-CG2 3.71Å; V286-I299 HydrophobicContact CG2-CG2 4.01Å; V286-K300 WeakPolarHBondContact CG2-O 3.34Å; V286-S303 WeakPolarHBondContact CA-O 3.5Å
287R98.7Very high98.6Very high139 Ų13930.1 Ų30.153%0.52516%0.159SC..EExtended strand (participates in β ladder)trans-125.1122.7177.9-63.4-173.8-178.3-168.62.5110.3R269 S303 W304 L305R269-R287 HydrophobicContact CB-CG 4.35Å; R269-R287 VanDerWaalsContact O-CA 3.28Å; R269-R287 WeakPolarHBondContact O-CA 3.33Å; R287-S303 PolarHBondContact N-O 2.75Å; R287-W304 HydrophobicContact CB-CB 4.49Å; R287-W304 HydrophobicContact CB-CG 4.32Å; R287-W304 CarbonylContact O-C 3.49Å; R287-W304 VanDerWaalsContact O-CA 3.31Å; R287-W304 WeakPolarHBondContact O-CA 3.21Å; R287-L305 PolarHBondContact O-N 3.15Å
288I98.8Very high98.6Very high2 Ų232.5 Ų32.51%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-132.9132.6-177.9-49-176.5000109.1R269 G271 V274 I282 V286 I293 I299 L305R269-I288 PolarHBondContact O-N 2.75Å; G271-I288 PolarHBondContact N-O 2.82Å; V274-I288 HydrophobicContact CG1-CG2 3.92Å; V274-I288 HydrophobicContact CG2-CB 4.28Å; V274-I288 HydrophobicContact CG2-CG2 3.76Å; I282-I288 HydrophobicContact CD1-CD1 3.7Å; I282-I288 HydrophobicContact CG1-CD1 4.26Å; V286-I288 HydrophobicContact CG1-CD1 3.87Å; V286-I288 HydrophobicContact CG1-CG1 3.62Å; I288-I293 HydrophobicContact CD1-CD1 4.27Å; I288-I293 HydrophobicContact CD1-CG1 4.15Å; I288-I293 HydrophobicContact CG2-CD1 4.47Å; I288-I299 HydrophobicContact CD1-CG1 4.45Å; I288-L305 CarbonylContact C-O 3.54Å; I288-L305 WeakPolarHBondContact CA-O 3.33Å; I288-L305 HydrophobicContact CG1-CB 4.43Å; I288-L305 HydrophobicContact CG2-CB 4.22Å
289S98.6Very high98.6Very high20 Ų2031.2 Ų31.214%0.1416%0.161CC..EExtended strand (participates in β ladder)trans-143.1149.4171.556.80000110.5S291 L305 N306 N307S289-S291 WeakPolarHBondContact O-CB 3.36Å; S289-S291 PolarHBondContact O-N 3.47Å; S289-S291 PolarHBondContact O-OG 2.86Å; S289-L305 PolarHBondContact N-O 2.81Å; S289-N306 WeakPolarHBondContact O-CA 2.99Å; S289-N306 PolarHBondContact OG-OD1 2.84Å; S289-N306 VanDerWaalsContact OG-OD1 3.05Å; S289-N307 PolarHBondContact O-N 3.32Å
290N98.7Very high98.7Very high30 Ų3032.8 Ų32.816%0.1616%0.159CC..SBendtrans50.735.5174.2-56-59.9000114.2P272 N273 N306 N307P272-N290 PolarHBondContact O-N 3.06Å; N273-N290 PolarHBondContact ND2-OD1 3.24Å; N273-N290 CarbonylContact O-C 3.58Å; N273-N290 WeakPolarHBondContact O-CA 3.29Å; N273-N290 PolarHBondContact O-N 3.23Å; N290-N306 PolarHBondContact ND2-OD1 2.78Å; N290-N307 WeakPolarHBondContact CB-OD1 3.2Å; N290-N307 VanDerWaalsContact O-CA 3.26Å; N290-N307 WeakPolarHBondContact O-CA 3.31Å; N290-N307 PolarHBondContact O-N 2.87Å
291S98.8Very high98.7Very high0 Ų033.9 Ų33.90%017%0.167CC..  trans-136.1151.9-168-60.10000112N273 V274 T275 S289 N307 C308N273-S291 PolarHBondContact O-N 3.29Å; N273-S291 VanDerWaalsContact O-N 3.16Å; V274-S291 VanDerWaalsContact CA-O 3.31Å; V274-S291 WeakPolarHBondContact CA-O 3.47Å; T275-S291 PolarHBondContact N-O 2.95Å; S289-S291 WeakPolarHBondContact O-CB 3.36Å; S289-S291 PolarHBondContact O-N 3.47Å; S289-S291 PolarHBondContact O-OG 2.86Å; S291-N307 PolarHBondContact OG-N 3.1Å; S291-C308 CarbonylContact C-O 3.51Å; S291-C308 WeakPolarHBondContact CA-O 3.36Å; S291-C308 WeakPolarHBondContact CB-O 3.45Å; S291-C308 PolarHBondContact OG-N 3.29Å
292A98.7Very high98.7Very high0 Ų034.7 Ų34.70%017%0.169CC..EExtended strand (participates in β ladder)trans-112.8129.117500000110.5Y227 M231 T275 F294 C308 I309 V310Y227-A292 HydrophobicContact CE1-CB 3.74Å; M231-A292 HydrophobicContact SD-CB 3.81Å; T275-A292 WeakPolarHBondContact OG1-CA 3.38Å; T275-A292 WeakPolarHBondContact OG1-CB 3.44Å; A292-F294 HydrophobicContact CB-CD1 4.33Å; A292-F294 HydrophobicContact CB-CE1 3.86Å; A292-C308 PolarHBondContact N-O 3.13Å; A292-I309 HydrophobicContact CB-CG2 4.49Å; A292-I309 CarbonylContact O-C 3.56Å; A292-I309 WeakPolarHBondContact O-CA 3.18Å; A292-V310 PolarHBondContact O-N 2.93Å
293I98.8Very high98.7Very high0 Ų034.7 Ų34.70%017%0.169CC..EExtended strand (participates in β ladder)trans-114.4109.2178.1-45-59.6000108.1T275 I276 G277 V280 I288 I299 L305 V310T275-I293 PolarHBondContact O-N 3.05Å; I276-I293 HydrophobicContact CG1-CG1 4.47Å; G277-I293 PolarHBondContact N-O 3.11Å; V280-I293 HydrophobicContact CB-CG2 4.46Å; V280-I293 HydrophobicContact CG1-CB 4.44Å; V280-I293 HydrophobicContact CG1-CG2 3.67Å; V280-I293 HydrophobicContact CG2-CG2 3.88Å; I288-I293 HydrophobicContact CD1-CD1 4.27Å; I288-I293 HydrophobicContact CD1-CG1 4.15Å; I288-I293 HydrophobicContact CG2-CD1 4.47Å; I293-I299 HydrophobicContact CD1-CD1 4.34Å; I293-I299 HydrophobicContact CG2-CD1 4.29Å; I293-I299 HydrophobicContact CG2-CG1 4.31Å; I293-L305 HydrophobicContact CD1-CD2 3.74Å; I293-V310 HydrophobicContact CD1-CB 3.89Å; I293-V310 HydrophobicContact CD1-CG2 3.67Å; I293-V310 HydrophobicContact CG2-CB 4.26Å; I293-V310 HydrophobicContact CG2-CG1 4.4Å
294F98.5Very high98.7Very high1 Ų135.6 Ų35.60%0.00417%0.17CC..  trans-80.1161.5-175.1-69.31.8000111.9L17 V26 E27 Y227 V280 A292 S297 I309 V310 W312L17-F294 HydrophobicContact CD1-CE2 4.15Å; L17-F294 HydrophobicContact CD1-CZ 4.29Å; L17-F294 HydrophobicContact CD2-CD2 4.43Å; L17-F294 HydrophobicContact CD2-CE2 3.89Å; V26-F294 HydrophobicContact CG1-CE2 4.18Å; V26-F294 HydrophobicContact CG1-CZ 4.18Å; E27-F294 HydrophobicContact CB-CE1 4.49Å; E27-F294 VanDerWaalsContact O-CZ 3.32Å; E27-F294 WeakPolarHBondContact O-CZ 3.46Å; Y227-F294 HydrophobicContact CE1-CE1 4.46Å; Y227-F294 HydrophobicContact CE2-CZ 4.14Å; Y227-F294 AromaticContact CZ-CE1 3.9Å; Y227-F294 AromaticContact CZ-CZ 3.83Å; Y227-F294 VanDerWaalsContact OH-CE1 3.22Å; Y227-F294 WeakPolarHBondContact OH-CE1 3.03Å; V280-F294 VanDerWaalsContact CG2-O 3.25Å; V280-F294 WeakPolarHBondContact CG2-O 3.42Å; A292-F294 HydrophobicContact CB-CD1 4.33Å; A292-F294 HydrophobicContact CB-CE1 3.86Å; F294-S297 WeakPolarHBondContact O-CB 3.33Å; F294-S297 PolarHBondContact O-N 3.31Å; F294-S297 PolarHBondContact O-OG 2.92Å; F294-I309 HydrophobicContact CE1-CG2 4.02Å; F294-I309 HydrophobicContact CE2-CG2 4.18Å; F294-I309 HydrophobicContact CZ-CG2 3.83Å; F294-V310 WeakPolarHBondContact CB-O 3.36Å; F294-V310 PolarHBondContact N-O 2.83Å; F294-W312 HydrophobicContact CB-CD2 4.3Å; F294-W312 HydrophobicContact CB-CG 4.1Å; F294-W312 AromaticContact CD2-CD2 3.73Å; F294-W312 HydrophobicContact CD2-CD2 3.73Å; F294-W312 AromaticContact CD2-CE2 3.39Å; F294-W312 AromaticContact CD2-CE3 3.99Å; F294-W312 HydrophobicContact CD2-CE3 3.99Å; F294-W312 HydrophobicContact CD2-CG 4.41Å; F294-W312 AromaticContact CD2-CH2 3.61Å; F294-W312 HydrophobicContact CD2-CH2 3.61Å; F294-W312 AromaticContact CD2-CZ2 3.3Å; F294-W312 HydrophobicContact CD2-CZ2 3.3Å; F294-W312 AromaticContact CD2-CZ3 3.94Å; F294-W312 HydrophobicContact CD2-CZ3 3.94Å; F294-W312 AromaticContact CD2-NE1 3.96Å; F294-W312 AromaticContact CE2-CH2 3.5Å; F294-W312 HydrophobicContact CE2-CH2 3.5Å; F294-W312 AromaticContact CE2-CZ2 3.46Å; F294-W312 HydrophobicContact CE2-CZ2 3.46Å; F294-W312 VanDerWaalsContact CE2-CZ2 3.46Å; F294-W312 HydrophobicContact CE2-CZ3 4.12Å; F294-W312 HydrophobicContact CG-CZ2 4.34Å
295S97.6Very high98.7Very high18 Ų1832.1 Ų32.113%0.12615%0.151CC..THydrogen-bonded Turntrans-49.6139.6-169.8-59.70000113.9E27 A278 S297 W312 R313E27-S295 PolarHBondContact OE1-OG 2.78Å; E27-S295 PolarHBondContact OE2-OG 3.41Å; E27-S295 VanDerWaalsContact OE2-OG 3.1Å; A278-S295 PolarHBondContact N-OG 2.9Å; A278-S295 CarbonylContact O-C 3.58Å; A278-S295 WeakPolarHBondContact O-CA 3.23Å; A278-S295 WeakPolarHBondContact O-CB 3.24Å; S295-S297 PolarHBondContact O-N 2.87Å; S295-W312 WeakPolarHBondContact O-CA 3.25Å; S295-R313 PolarHBondContact O-N 3.44Å; S295-R313 VanDerWaalsContact O-N 3.12Å
296K98.3Very high98.7Very high141 Ų14133 Ų3361%0.61315%0.152SC*.THydrogen-bonded Turntrans64.514.8177.8-52.3175.7-178.3176.50115.6A278 R313A278-K296 PolarHBondContact O-N 2.86Å; K296-R313 HydrophobicContact CB-CG 4.07Å; K296-R313 HydrophobicContact CD-CG 4.45Å
297S98.8Very high98.7Very high0 Ų034.7 Ų34.70%016%0.161CC..  trans-80.6154174.4-52.50000111.9V280 I281 F294 S295 G311 R313 S314V280-S297 VanDerWaalsContact CA-O 3.28Å; V280-S297 WeakPolarHBondContact CA-O 3.34Å; I281-S297 PolarHBondContact N-O 2.87Å; F294-S297 WeakPolarHBondContact O-CB 3.33Å; F294-S297 PolarHBondContact O-N 3.31Å; F294-S297 PolarHBondContact O-OG 2.92Å; S295-S297 PolarHBondContact O-N 2.87Å; S297-G311 PolarHBondContact OG-O 2.92Å; S297-R313 PolarHBondContact OG-N 2.66Å; S297-S314 CarbonylContact C-O 3.5Å; S297-S314 WeakPolarHBondContact CA-O 3.31Å; S297-S314 WeakPolarHBondContact CB-O 3.33Å; S297-S314 PolarHBondContact OG-N 3.27Å
298I98.9Very high98.7Very high51 Ų5128 Ų2826%0.26214%0.136SC..EExtended strand (participates in β ladder)trans-122.6125.1-179.7-55177.2000108.8I281 K300 S314 V315 V316I281-I298 HydrophobicContact CB-CG1 4.32Å; I281-I298 HydrophobicContact CB-CG2 4.35Å; I281-I298 CarbonylContact O-C 3.55Å; I281-I298 VanDerWaalsContact O-CA 3.31Å; I281-I298 WeakPolarHBondContact O-CA 3.36Å; I298-K300 HydrophobicContact CG2-CG 4.29Å; I298-S314 PolarHBondContact N-O 3.14Å; I298-V315 HydrophobicContact CB-CG1 4.44Å; I298-V315 HydrophobicContact CB-CG2 4.36Å; I298-V315 HydrophobicContact CD1-CG2 4.46Å; I298-V315 CarbonylContact O-C 3.55Å; I298-V315 WeakPolarHBondContact O-CA 3.19Å; I298-V316 PolarHBondContact O-N 3.46Å
299I98.9Very high98.7Very high0 Ų028 Ų280%014%0.135CC..EExtended strand (participates in β ladder)trans-109.5110171.9-45.7-58.4000107.9I281 I282 E283 V286 I288 I293 L305 V310 V316I281-I299 PolarHBondContact O-N 2.92Å; I282-I299 HydrophobicContact CG1-CB 4.31Å; I282-I299 HydrophobicContact CG1-CG1 4.23Å; E283-I299 PolarHBondContact N-O 3Å; V286-I299 HydrophobicContact CG1-CB 4.43Å; V286-I299 HydrophobicContact CG1-CG2 3.71Å; V286-I299 HydrophobicContact CG2-CG2 4.01Å; I288-I299 HydrophobicContact CD1-CG1 4.45Å; I293-I299 HydrophobicContact CD1-CD1 4.34Å; I293-I299 HydrophobicContact CG2-CD1 4.29Å; I293-I299 HydrophobicContact CG2-CG1 4.31Å; I299-L305 HydrophobicContact CD1-CD2 3.97Å; I299-L305 HydrophobicContact CG2-CD1 3.98Å; I299-V310 HydrophobicContact CD1-CG1 4.12Å; I299-V310 HydrophobicContact CD1-CG2 4.08Å; I299-V316 HydrophobicContact CD1-CB 3.79Å; I299-V316 HydrophobicContact CD1-CG2 3.6Å; I299-V316 HydrophobicContact CG2-CB 4.35Å; I299-V316 HydrophobicContact CG2-CG1 4.47Å
300K98.9Very high98.7Very high65 Ų6527 Ų2728%0.28313%0.129SC..  trans-78165.9-177-63.4-171.2-176.6172.40112.9E283 V286 I298 S303 V316 K318E283-K300 WeakPolarHBondContact OE2-CA 3.34Å; E283-K300 WeakPolarHBondContact OE2-CB 3.31Å; V286-K300 WeakPolarHBondContact CG2-O 3.34Å; I298-K300 HydrophobicContact CG2-CG 4.29Å; K300-S303 WeakPolarHBondContact O-CB 3.27Å; K300-S303 PolarHBondContact O-N 3.21Å; K300-S303 PolarHBondContact O-OG 2.68Å; K300-V316 VanDerWaalsContact CB-O 3.32Å; K300-V316 WeakPolarHBondContact CB-O 3.32Å; K300-V316 WeakPolarHBondContact CG-O 3.37Å; K300-V316 PolarHBondContact N-O 2.85Å; K300-K318 HydrophobicContact CB-CG 3.7Å; K300-K318 HydrophobicContact CD-CG 4.2Å
301S98.8Very high98.6Very high24 Ų2425.6 Ų25.617%0.16812%0.121CC..THydrogen-bonded Turntrans-51.7143.2-166.2-510000114.2E283 D284 S303 K318 W319E283-S301 PolarHBondContact OE2-N 3.24Å; E283-S301 PolarHBondContact OE2-OG 2.87Å; E283-S301 VanDerWaalsContact OE2-OG 3.08Å; D284-S301 CarbonylContact O-C 3.46Å; D284-S301 WeakPolarHBondContact O-CA 3.33Å; D284-S301 WeakPolarHBondContact O-CB 3.21Å; S301-S303 PolarHBondContact O-N 3.41Å; S301-S303 VanDerWaalsContact O-N 3.11Å; S301-K318 WeakPolarHBondContact O-CA 3.34Å; S301-W319 PolarHBondContact O-N 2.83Å; S301-W319 VanDerWaalsContact O-N 3.14Å
302H98.6Very high98.6Very high87 Ų8726.1 Ų26.140%0.40312%0.123SC..THydrogen-bonded Turntrans60.615.9172.3-49-64.7000116.3D284 W319D284-H302 PolarHBondContact O-N 3.12Å; H302-W319 HydrophobicContact CB-CD2 3.67Å; H302-W319 HydrophobicContact CB-CE3 3.4Å; H302-W319 HydrophobicContact CB-CH2 3.58Å; H302-W319 HydrophobicContact CB-CZ2 3.84Å; H302-W319 HydrophobicContact CB-CZ3 3.37Å; H302-W319 AromaticContact CD2-CE2 3.79Å; H302-W319 AromaticContact CD2-CH2 3.61Å; H302-W319 AromaticContact CD2-CZ2 3.3Å; H302-W319 WeakPolarHBondContact CD2-CZ2 3.44Å; H302-W319 AromaticContact CG-CH2 3.47Å; H302-W319 VanDerWaalsContact CG-CH2 3.47Å; H302-W319 AromaticContact CG-CZ2 3.63Å; H302-W319 AromaticContact CG-CZ3 3.8Å
303S98.9Very high98.6Very high1 Ų131 Ų311%0.00714%0.142CC..  trans-77.9150.1172.4-66.80000112V286 R287 K300 S301 G317 W319 V320V286-S303 WeakPolarHBondContact CA-O 3.5Å; R287-S303 PolarHBondContact N-O 2.75Å; K300-S303 WeakPolarHBondContact O-CB 3.27Å; K300-S303 PolarHBondContact O-N 3.21Å; K300-S303 PolarHBondContact O-OG 2.68Å; S301-S303 PolarHBondContact O-N 3.41Å; S301-S303 VanDerWaalsContact O-N 3.11Å; S303-G317 PolarHBondContact OG-O 3.33Å; S303-W319 PolarHBondContact OG-N 2.9Å; S303-V320 CarbonylContact C-O 3.55Å; S303-V320 VanDerWaalsContact CA-O 3.25Å; S303-V320 WeakPolarHBondContact CA-O 3.41Å; S303-V320 WeakPolarHBondContact CB-O 3.21Å; S303-V320 PolarHBondContact OG-N 3.05Å
304W98.8Very high98.6Very high79 Ų7931 Ų3130%0.29914%0.142SC..EExtended strand (participates in β ladder)trans-123.7122.9-179.5-179.494.4000110.4R287 N306 V320 R321 M322 E323R287-W304 HydrophobicContact CB-CB 4.49Å; R287-W304 HydrophobicContact CB-CG 4.32Å; R287-W304 CarbonylContact O-C 3.49Å; R287-W304 VanDerWaalsContact O-CA 3.31Å; R287-W304 WeakPolarHBondContact O-CA 3.21Å; W304-N306 HydrophobicContact CE3-CB 4.33Å; W304-N306 HydrophobicContact CH2-CB 3.39Å; W304-N306 HydrophobicContact CZ2-CB 3.49Å; W304-N306 VanDerWaalsContact CZ2-CB 3.49Å; W304-N306 HydrophobicContact CZ3-CB 3.83Å; W304-V320 PolarHBondContact N-O 3.04Å; W304-R321 HydrophobicContact CE3-CG 3.51Å; W304-R321 HydrophobicContact CZ3-CG 3.81Å; W304-R321 WeakPolarHBondContact O-CA 3.46Å; W304-M322 PolarHBondContact O-N 3.27Å; W304-E323 HydrophobicContact CH2-CB 4.41Å; W304-E323 WeakPolarHBondContact CH2-OE2 3.49Å; W304-E323 HydrophobicContact CZ3-CB 3.93Å; W304-E323 WeakPolarHBondContact CZ3-OE2 3.22Å
305L98.9Very high98.6Very high0 Ų032.7 Ų32.70%015%0.152CC..EExtended strand (participates in β ladder)trans-124.2125.7-178.7-76.265.8000109.3R287 I288 S289 I293 I299 V310 V316 M322R287-L305 PolarHBondContact O-N 3.15Å; I288-L305 CarbonylContact C-O 3.54Å; I288-L305 WeakPolarHBondContact CA-O 3.33Å; I288-L305 HydrophobicContact CG1-CB 4.43Å; I288-L305 HydrophobicContact CG2-CB 4.22Å; S289-L305 PolarHBondContact N-O 2.81Å; I293-L305 HydrophobicContact CD1-CD2 3.74Å; I299-L305 HydrophobicContact CD1-CD2 3.97Å; I299-L305 HydrophobicContact CG2-CD1 3.98Å; L305-V310 HydrophobicContact CD2-CG2 3.61Å; L305-V316 HydrophobicContact CD1-CG1 4.34Å; L305-M322 HydrophobicContact CD2-SD 4.4Å; L305-M322 HydrophobicContact CG-CB 4.29Å; L305-M322 HydrophobicContact CG-SD 4.15Å
306N98.7Very high98.7Very high35 Ų3531.9 Ų31.919%0.18715%0.146CC..EExtended strand (participates in β ladder)trans-137.5130.6174.8-178.429000110.4S289 N290 W304 C308 M322 E323S289-N306 WeakPolarHBondContact O-CA 2.99Å; S289-N306 PolarHBondContact OG-OD1 2.84Å; S289-N306 VanDerWaalsContact OG-OD1 3.05Å; N290-N306 PolarHBondContact ND2-OD1 2.78Å; W304-N306 HydrophobicContact CE3-CB 4.33Å; W304-N306 HydrophobicContact CH2-CB 3.39Å; W304-N306 HydrophobicContact CZ2-CB 3.49Å; W304-N306 VanDerWaalsContact CZ2-CB 3.49Å; W304-N306 HydrophobicContact CZ3-CB 3.83Å; N306-C308 PolarHBondContact O-N 2.82Å; N306-C308 PolarHBondContact O-SG 3.29Å; N306-M322 PolarHBondContact N-O 2.82Å; N306-E323 VanDerWaalsContact O-CA 3.25Å; N306-E323 WeakPolarHBondContact O-CA 3.42Å
307N98.6Very high98.7Very high35 Ų3525.1 Ų25.119%0.18712%0.117CC..SBendtrans54.752.2-176.9-59.5-1.1000112.5L228 R232 S289 N290 S291 V325L228-N307 HydrophobicContact CD1-CB 4.27Å; R232-N307 VanDerWaalsContact NH2-CG 3.28Å; R232-N307 PolarHBondContact NH2-OD1 2.92Å; S289-N307 PolarHBondContact O-N 3.32Å; N290-N307 WeakPolarHBondContact CB-OD1 3.2Å; N290-N307 VanDerWaalsContact O-CA 3.26Å; N290-N307 WeakPolarHBondContact O-CA 3.31Å; N290-N307 PolarHBondContact O-N 2.87Å; S291-N307 PolarHBondContact OG-N 3.1Å; N307-V325 WeakPolarHBondContact O-CA 3.46Å; N307-V325 PolarHBondContact O-N 2.57Å
308C98.5Very high98.7Very high0 Ų029.3 Ų29.30%014%0.135CC..EExtended strand (participates in β ladder)trans-128.3155.8-175.6-65.60000112.6S291 A292 N306 M322 T326S291-C308 CarbonylContact C-O 3.51Å; S291-C308 WeakPolarHBondContact CA-O 3.36Å; S291-C308 WeakPolarHBondContact CB-O 3.45Å; S291-C308 PolarHBondContact OG-N 3.29Å; A292-C308 PolarHBondContact N-O 3.13Å; N306-C308 PolarHBondContact O-N 2.82Å; N306-C308 PolarHBondContact O-SG 3.29Å; C308-M322 HydrophobicContact CB-CE 4.45Å; C308-M322 WeakPolarHBondContact SG-CB 3.37Å; C308-M322 PolarHBondContact SG-O 3.18Å; C308-T326 CarbonylContact C-O 3.53Å; C308-T326 VanDerWaalsContact CA-O 3.25Å; C308-T326 WeakPolarHBondContact CA-O 3.36Å
309I98.7Very high98.7Very high0 Ų034 Ų340%015%0.149CC..EExtended strand (participates in β ladder)trans-122.3114.6167.2-53.9173000107.8L17 P224 Y227 L228 A292 F294 T326 V327 L328L17-I309 HydrophobicContact CD1-CD1 4.15Å; L17-I309 HydrophobicContact CD1-CG2 4.08Å; L17-I309 HydrophobicContact CD2-CG2 3.95Å; P224-I309 HydrophobicContact CB-CD1 4.05Å; Y227-I309 HydrophobicContact CD1-CD1 3.51Å; Y227-I309 HydrophobicContact CD1-CG1 4.13Å; Y227-I309 HydrophobicContact CE1-CD1 4.19Å; Y227-I309 HydrophobicContact CE1-CG1 4.47Å; Y227-I309 HydrophobicContact CG-CD1 3.89Å; L228-I309 HydrophobicContact CD2-CD1 4.28Å; L228-I309 HydrophobicContact CD2-CG1 3.66Å; L228-I309 HydrophobicContact CG-CD1 4.23Å; L228-I309 HydrophobicContact CG-CG1 4.03Å; A292-I309 HydrophobicContact CB-CG2 4.49Å; A292-I309 CarbonylContact O-C 3.56Å; A292-I309 WeakPolarHBondContact O-CA 3.18Å; F294-I309 HydrophobicContact CE1-CG2 4.02Å; F294-I309 HydrophobicContact CE2-CG2 4.18Å; F294-I309 HydrophobicContact CZ-CG2 3.83Å; I309-T326 PolarHBondContact N-O 3.14Å; I309-V327 HydrophobicContact CB-CG1 4.06Å; I309-V327 HydrophobicContact CB-CG2 4.27Å; I309-V327 HydrophobicContact CD1-CG2 4.28Å; I309-V327 HydrophobicContact CG1-CG2 4.48Å; I309-V327 HydrophobicContact CG2-CG1 4.42Å; I309-V327 CarbonylContact O-C 3.46Å; I309-V327 VanDerWaalsContact O-CA 3.31Å; I309-V327 WeakPolarHBondContact O-CA 3.45Å; I309-L328 PolarHBondContact O-N 2.94Å
310V98.7Very high98.7Very high0 Ų034 Ų340%015%0.149CC..EExtended strand (participates in β ladder)trans-95.6104.3173.8177.10000107.5A292 I293 F294 I299 L305 V316 M322 L328A292-V310 PolarHBondContact O-N 2.93Å; I293-V310 HydrophobicContact CD1-CB 3.89Å; I293-V310 HydrophobicContact CD1-CG2 3.67Å; I293-V310 HydrophobicContact CG2-CB 4.26Å; I293-V310 HydrophobicContact CG2-CG1 4.4Å; F294-V310 WeakPolarHBondContact CB-O 3.36Å; F294-V310 PolarHBondContact N-O 2.83Å; I299-V310 HydrophobicContact CD1-CG1 4.12Å; I299-V310 HydrophobicContact CD1-CG2 4.08Å; L305-V310 HydrophobicContact CD2-CG2 3.61Å; V310-V316 HydrophobicContact CG1-CG2 4.33Å; V310-V316 HydrophobicContact CG2-CG2 4.18Å; V310-M322 HydrophobicContact CG2-CE 4.23Å; V310-L328 HydrophobicContact CG1-CD1 4.31Å; V310-L328 HydrophobicContact CG2-CD1 4.42Å
311G98.2Very high98.7Very high0 Ų036.6 Ų36.60%016%0.157CC..  trans-65.7167.6178.900000113.2S297 S314 L328 G329S297-G311 PolarHBondContact OG-O 2.92Å; G311-S314 VanDerWaalsContact O-CB 3.23Å; G311-S314 WeakPolarHBondContact O-CB 3.36Å; G311-S314 PolarHBondContact O-N 3.29Å; G311-S314 PolarHBondContact O-OG 2.94Å; G311-L328 WeakPolarHBondContact CA-O 3.46Å; G311-L328 PolarHBondContact N-O 2.59Å; G311-G329 CarbonylContact C-O 3.47Å; G311-G329 WeakPolarHBondContact CA-O 3.16Å
312W97.8Very high98.7Very high11 Ų1135.5 Ų35.54%0.04215%0.149CC..THydrogen-bonded Turntrans-52.5144.4-169.2-55.6-90.9000113.7L17 I21 V26 E27 F294 S295 S314 E330 D331L17-W312 HydrophobicContact CB-CH2 4.43Å; L17-W312 HydrophobicContact CB-CZ3 4.39Å; L17-W312 HydrophobicContact CD2-CZ3 4.28Å; I21-W312 HydrophobicContact CD1-CH2 3.37Å; I21-W312 HydrophobicContact CD1-CZ2 3.22Å; I21-W312 HydrophobicContact CD1-CZ3 4.25Å; I21-W312 HydrophobicContact CG1-CH2 3.55Å; I21-W312 HydrophobicContact CG1-CZ2 3.97Å; I21-W312 HydrophobicContact CG1-CZ3 4.13Å; V26-W312 HydrophobicContact CG1-CH2 4.47Å; E27-W312 HydrophobicContact CB-CZ2 4.49Å; E27-W312 VanDerWaalsContact CD-NE1 3.32Å; E27-W312 HydrophobicContact CG-CZ2 4.41Å; E27-W312 PolarHBondContact OE1-NE1 3.27Å; F294-W312 HydrophobicContact CB-CD2 4.3Å; F294-W312 HydrophobicContact CB-CG 4.1Å; F294-W312 AromaticContact CD2-CD2 3.73Å; F294-W312 HydrophobicContact CD2-CD2 3.73Å; F294-W312 AromaticContact CD2-CE2 3.39Å; F294-W312 AromaticContact CD2-CE3 3.99Å; F294-W312 HydrophobicContact CD2-CE3 3.99Å; F294-W312 HydrophobicContact CD2-CG 4.41Å; F294-W312 AromaticContact CD2-CH2 3.61Å; F294-W312 HydrophobicContact CD2-CH2 3.61Å; F294-W312 AromaticContact CD2-CZ2 3.3Å; F294-W312 HydrophobicContact CD2-CZ2 3.3Å; F294-W312 AromaticContact CD2-CZ3 3.94Å; F294-W312 HydrophobicContact CD2-CZ3 3.94Å; F294-W312 AromaticContact CD2-NE1 3.96Å; F294-W312 AromaticContact CE2-CH2 3.5Å; F294-W312 HydrophobicContact CE2-CH2 3.5Å; F294-W312 AromaticContact CE2-CZ2 3.46Å; F294-W312 HydrophobicContact CE2-CZ2 3.46Å; F294-W312 VanDerWaalsContact CE2-CZ2 3.46Å; F294-W312 HydrophobicContact CE2-CZ3 4.12Å; F294-W312 HydrophobicContact CG-CZ2 4.34Å; S295-W312 WeakPolarHBondContact O-CA 3.25Å; W312-S314 PolarHBondContact O-N 2.82Å; W312-E330 HydrophobicContact CB-CG 4.25Å; W312-E330 HydrophobicContact CE3-CB 4.42Å; W312-E330 CarbonylContact O-C 3.59Å; W312-E330 VanDerWaalsContact O-CA 3.28Å; W312-E330 WeakPolarHBondContact O-CA 3.12Å; W312-D331 PolarHBondContact O-N 2.81Å
313R98.5Very high98.6Very high104 Ų10432.4 Ų32.439%0.39214%0.135SC..THydrogen-bonded Turntrans57.414.8174.1-61.8175.5-80.3-74.422.8114.6S295 K296 S297 E330 D331S295-R313 PolarHBondContact O-N 3.44Å; S295-R313 VanDerWaalsContact O-N 3.12Å; K296-R313 HydrophobicContact CB-CG 4.07Å; K296-R313 HydrophobicContact CD-CG 4.45Å; S297-R313 PolarHBondContact OG-N 2.66Å; R313-E330 IonicContact CZ-OE1 3.18Å; R313-E330 IonicContact NE-OE1 3.16Å; R313-E330 PolarHBondContact NE-OE1 3.32Å; R313-E330 VanDerWaalsContact NE-OE1 3.16Å; R313-E330 IonicContact NH2-OE1 3.14Å; R313-E330 PolarHBondContact NH2-OE1 3.17Å; R313-E330 IonicContact NH2-OE2 3.8Å; R313-E330 PolarHBondContact NH2-OE2 2.88Å; R313-D331 HydrophobicContact CB-CB 4.48Å
314S98.8Very high98.6Very high0 Ų036.3 Ų36.30%016%0.156CC..  trans-79.5151.8-180-66.90000111.5S297 I298 G311 W312 G329 V332S297-S314 CarbonylContact C-O 3.5Å; S297-S314 WeakPolarHBondContact CA-O 3.31Å; S297-S314 WeakPolarHBondContact CB-O 3.33Å; S297-S314 PolarHBondContact OG-N 3.27Å; I298-S314 PolarHBondContact N-O 3.14Å; G311-S314 VanDerWaalsContact O-CB 3.23Å; G311-S314 WeakPolarHBondContact O-CB 3.36Å; G311-S314 PolarHBondContact O-N 3.29Å; G311-S314 PolarHBondContact O-OG 2.94Å; W312-S314 PolarHBondContact O-N 2.82Å; S314-G329 PolarHBondContact OG-O 3.04Å; S314-V332 CarbonylContact C-O 3.56Å; S314-V332 WeakPolarHBondContact CA-O 3.09Å; S314-V332 VanDerWaalsContact CB-O 3.25Å; S314-V332 WeakPolarHBondContact CB-O 3.35Å; S314-V332 PolarHBondContact OG-N 2.82Å
315V98.9Very high98.5Very high36 Ų3634.6 Ų34.622%0.21815%0.154CC..EExtended strand (participates in β ladder)trans-120.2114176.4-178.10000108.9I298 V332 S333 V334I298-V315 HydrophobicContact CB-CG1 4.44Å; I298-V315 HydrophobicContact CB-CG2 4.36Å; I298-V315 HydrophobicContact CD1-CG2 4.46Å; I298-V315 CarbonylContact O-C 3.55Å; I298-V315 WeakPolarHBondContact O-CA 3.19Å; V315-V332 PolarHBondContact N-O 3.45Å; V315-S333 CarbonylContact O-C 3.59Å; V315-S333 WeakPolarHBondContact O-CA 3.25Å; V315-V334 PolarHBondContact O-N 3.45Å
316V98.9Very high98.5Very high0 Ų034.6 Ų34.60%015%0.154CC..EExtended strand (participates in β ladder)trans-92.6119.7170.9179.30000108.4I298 I299 K300 L305 V310 V320 M322 L328I298-V316 PolarHBondContact O-N 3.46Å; I299-V316 HydrophobicContact CD1-CB 3.79Å; I299-V316 HydrophobicContact CD1-CG2 3.6Å; I299-V316 HydrophobicContact CG2-CB 4.35Å; I299-V316 HydrophobicContact CG2-CG1 4.47Å; K300-V316 VanDerWaalsContact CB-O 3.32Å; K300-V316 WeakPolarHBondContact CB-O 3.32Å; K300-V316 WeakPolarHBondContact CG-O 3.37Å; K300-V316 PolarHBondContact N-O 2.85Å; L305-V316 HydrophobicContact CD1-CG1 4.34Å; V310-V316 HydrophobicContact CG1-CG2 4.33Å; V310-V316 HydrophobicContact CG2-CG2 4.18Å; V316-V320 HydrophobicContact CG1-CB 3.67Å; V316-V320 HydrophobicContact CG1-CG1 3.62Å; V316-V320 HydrophobicContact CG1-CG2 4.17Å; V316-M322 HydrophobicContact CG1-SD 3.99Å; V316-M322 HydrophobicContact CG2-SD 3.83Å; V316-L328 HydrophobicContact CG2-CD1 3.87Å
317G98.8Very high98.5Very high0 Ų033 Ų330%015%0.145CC..  trans-59.3176.4178.900000114.2S303 V320 V334 D336S303-G317 PolarHBondContact OG-O 3.33Å; G317-V320 WeakPolarHBondContact O-CG2 3.36Å; G317-V334 VanDerWaalsContact CA-O 3.27Å; G317-V334 WeakPolarHBondContact CA-O 3.4Å; G317-V334 PolarHBondContact N-O 3.12Å; G317-D336 WeakPolarHBondContact CA-OD1 3.16Å
318K98.8Very high98.5Very high87 Ų8731.3 Ų31.338%0.37814%0.136SC..THydrogen-bonded Turntrans-73.3148.5177.2-63.2176.8178.8-179.60110.7K300 S301 V320 D336 E337K300-K318 HydrophobicContact CB-CG 3.7Å; K300-K318 HydrophobicContact CD-CG 4.2Å; S301-K318 WeakPolarHBondContact O-CA 3.34Å; K318-V320 PolarHBondContact O-N 3.35Å; K318-D336 HydrophobicContact CB-CB 4.29Å; K318-D336 PolarHBondContact N-OD1 2.89Å; K318-D336 CarbonylContact O-C 3.51Å; K318-D336 VanDerWaalsContact O-CA 3.26Å; K318-D336 WeakPolarHBondContact O-CA 3.29Å; K318-E337 PolarHBondContact O-N 3.28Å
319W98.6Very high98.5Very high149 Ų14931.3 Ų31.356%0.56414%0.136SC*.THydrogen-bonded Turntrans54.925.5176.8-52.6105.6000114S301 H302 S303 E337S301-W319 PolarHBondContact O-N 2.83Å; S301-W319 VanDerWaalsContact O-N 3.14Å; H302-W319 HydrophobicContact CB-CD2 3.67Å; H302-W319 HydrophobicContact CB-CE3 3.4Å; H302-W319 HydrophobicContact CB-CH2 3.58Å; H302-W319 HydrophobicContact CB-CZ2 3.84Å; H302-W319 HydrophobicContact CB-CZ3 3.37Å; H302-W319 AromaticContact CD2-CE2 3.79Å; H302-W319 AromaticContact CD2-CH2 3.61Å; H302-W319 AromaticContact CD2-CZ2 3.3Å; H302-W319 WeakPolarHBondContact CD2-CZ2 3.44Å; H302-W319 AromaticContact CG-CH2 3.47Å; H302-W319 VanDerWaalsContact CG-CH2 3.47Å; H302-W319 AromaticContact CG-CZ2 3.63Å; H302-W319 AromaticContact CG-CZ3 3.8Å; S303-W319 PolarHBondContact OG-N 2.9Å; W319-E337 HydrophobicContact CB-CG 4.1Å
320V98.9Very high98.4Very high1 Ų132.7 Ų32.71%0.00614%0.143CC..  trans-82.2138.5178169.20000109.3S303 W304 V316 G317 K318 M322 V334 K335 L338S303-V320 CarbonylContact C-O 3.55Å; S303-V320 VanDerWaalsContact CA-O 3.25Å; S303-V320 WeakPolarHBondContact CA-O 3.41Å; S303-V320 WeakPolarHBondContact CB-O 3.21Å; S303-V320 PolarHBondContact OG-N 3.05Å; W304-V320 PolarHBondContact N-O 3.04Å; V316-V320 HydrophobicContact CG1-CB 3.67Å; V316-V320 HydrophobicContact CG1-CG1 3.62Å; V316-V320 HydrophobicContact CG1-CG2 4.17Å; G317-V320 WeakPolarHBondContact O-CG2 3.36Å; K318-V320 PolarHBondContact O-N 3.35Å; V320-M322 HydrophobicContact CG1-CG 3.79Å; V320-M322 HydrophobicContact CG1-SD 4.19Å; V320-V334 HydrophobicContact CG1-CG1 4.04Å; V320-V334 HydrophobicContact CG2-CG1 4.04Å; V320-K335 WeakPolarHBondContact CG2-O 3.4Å; V320-L338 CarbonylContact C-O 3.58Å; V320-L338 VanDerWaalsContact CA-O 3.29Å; V320-L338 WeakPolarHBondContact CA-O 3.42Å; V320-L338 HydrophobicContact CG2-CB 4.47Å
321R98.7Very high98.4Very high120 Ų12036 Ų3645%0.45316%0.161SC..EExtended strand (participates in β ladder)trans-113122.3172.1-176.3-174.5174.6167-6.8109.4W304 E323 L338 F339 L340W304-R321 HydrophobicContact CE3-CG 3.51Å; W304-R321 HydrophobicContact CZ3-CG 3.81Å; W304-R321 WeakPolarHBondContact O-CA 3.46Å; R321-E323 IonicContact CZ-OE1 2.91Å; R321-E323 IonicContact CZ-OE2 2.66Å; R321-E323 VanDerWaalsContact CZ-OE2 3.31Å; R321-E323 IonicContact NE-OE1 3.84Å; R321-E323 IonicContact NE-OE2 2.57Å; R321-E323 PolarHBondContact NE-OE2 2.78Å; R321-E323 IonicContact NH2-OE1 3.94Å; R321-E323 PolarHBondContact NH2-OE1 2.97Å; R321-E323 IonicContact NH2-OE2 3.21Å; R321-E323 PolarHBondContact NH2-OE2 2.98Å; R321-L338 PolarHBondContact N-O 3.33Å; R321-F339 HydrophobicContact CB-CD2 3.87Å; R321-F339 HydrophobicContact CG-CD2 3.78Å; R321-F339 HydrophobicContact CG-CE2 4.04Å; R321-F339 CarbonylContact O-C 3.57Å; R321-F339 WeakPolarHBondContact O-CA 3.23Å; R321-L340 PolarHBondContact O-N 2.96Å
322M98.7Very high98.4Very high0 Ų036 Ų360%016%0.161CC..EExtended strand (participates in β ladder)trans-124.1132.4174.9-62.8166.762.800110.9W304 L305 N306 C308 V310 V316 V320 T326 L328 L340W304-M322 PolarHBondContact O-N 3.27Å; L305-M322 HydrophobicContact CD2-SD 4.4Å; L305-M322 HydrophobicContact CG-CB 4.29Å; L305-M322 HydrophobicContact CG-SD 4.15Å; N306-M322 PolarHBondContact N-O 2.82Å; C308-M322 HydrophobicContact CB-CE 4.45Å; C308-M322 WeakPolarHBondContact SG-CB 3.37Å; C308-M322 PolarHBondContact SG-O 3.18Å; V310-M322 HydrophobicContact CG2-CE 4.23Å; V316-M322 HydrophobicContact CG1-SD 3.99Å; V316-M322 HydrophobicContact CG2-SD 3.83Å; V320-M322 HydrophobicContact CG1-CG 3.79Å; V320-M322 HydrophobicContact CG1-SD 4.19Å; M322-T326 HydrophobicContact CB-CG2 4.38Å; M322-T326 HydrophobicContact CE-CG2 3.47Å; M322-T326 VanDerWaalsContact CE-CG2 3.47Å; M322-T326 HydrophobicContact CG-CG2 4.45Å; M322-L328 HydrophobicContact CE-CD1 3.72Å; M322-L328 HydrophobicContact CE-CD2 3.86Å; M322-L328 HydrophobicContact CE-CG 3.63Å; M322-L328 HydrophobicContact SD-CD1 4.32Å; M322-L340 CarbonylContact C-O 3.56Å; M322-L340 WeakPolarHBondContact CA-O 3.4Å; M322-L340 HydrophobicContact CG-CB 4.12Å; M322-L340 HydrophobicContact CG-CD1 4.18Å; M322-L340 HydrophobicContact CG-CG 4.36Å
323E98.3Very high98.5Very high23 Ų2337.6 Ų37.611%0.10717%0.174CC..EExtended strand (participates in β ladder)trans-148.9176.8178.663.7-168.3-168.300116W304 N306 R321 T326 F339 L340 G342W304-E323 HydrophobicContact CH2-CB 4.41Å; W304-E323 WeakPolarHBondContact CH2-OE2 3.49Å; W304-E323 HydrophobicContact CZ3-CB 3.93Å; W304-E323 WeakPolarHBondContact CZ3-OE2 3.22Å; N306-E323 VanDerWaalsContact O-CA 3.25Å; N306-E323 WeakPolarHBondContact O-CA 3.42Å; R321-E323 IonicContact CZ-OE1 2.91Å; R321-E323 IonicContact CZ-OE2 2.66Å; R321-E323 VanDerWaalsContact CZ-OE2 3.31Å; R321-E323 IonicContact NE-OE1 3.84Å; R321-E323 IonicContact NE-OE2 2.57Å; R321-E323 PolarHBondContact NE-OE2 2.78Å; R321-E323 IonicContact NH2-OE1 3.94Å; R321-E323 PolarHBondContact NH2-OE1 2.97Å; R321-E323 IonicContact NH2-OE2 3.21Å; R321-E323 PolarHBondContact NH2-OE2 2.98Å; E323-T326 WeakPolarHBondContact O-CB 3.35Å; E323-T326 PolarHBondContact O-N 3.22Å; E323-T326 PolarHBondContact O-OG1 2.96Å; E323-F339 HydrophobicContact CG-CE2 3.83Å; E323-F339 HydrophobicContact CG-CZ 4.25Å; E323-F339 VanDerWaalsContact OE1-CE2 3.31Å; E323-F339 WeakPolarHBondContact OE1-CE2 3.36Å; E323-F339 VanDerWaalsContact OE1-CZ 3.25Å; E323-F339 WeakPolarHBondContact OE1-CZ 3.32Å; E323-L340 PolarHBondContact N-O 2.91Å; E323-G342 PolarHBondContact O-N 2.85Å
324N97.1Very high98.5Very high83 Ų8332.9 Ų32.944%0.44416%0.156SC..SBendtrans5652.1170.9-64.3-28.4000115.3N341 G342N324-N341 VanDerWaalsContact CB-OD1 3.29Å; N324-N341 WeakPolarHBondContact CB-OD1 3.28Å; N324-N341 PolarHBondContact ND2-OD1 3.21Å; N324-G342 WeakPolarHBondContact O-CA 3.28Å
325V97.8Very high98.5Very high43 Ų4338.1 Ų38.126%0.26118%0.179SC..SBendtrans65.242179.4-160.60000111.1P224 A225 L228 N307P224-V325 HydrophobicContact CB-CG1 3.73Å; A225-V325 HydrophobicContact CB-CG1 4.29Å; A225-V325 HydrophobicContact CB-CG2 4.34Å; L228-V325 HydrophobicContact CD1-CG1 4.19Å; L228-V325 HydrophobicContact CD1-CG2 4.36Å; N307-V325 WeakPolarHBondContact O-CA 3.46Å; N307-V325 PolarHBondContact O-N 2.57Å
326T98.6Very high98.5Very high0 Ų040 Ų400%019%0.188CC..EExtended strand (participates in β ladder)trans-71.3128.8168.2-67.90000109.5C308 I309 M322 E323 L328 L340 G342 A343C308-T326 CarbonylContact C-O 3.53Å; C308-T326 VanDerWaalsContact CA-O 3.25Å; C308-T326 WeakPolarHBondContact CA-O 3.36Å; I309-T326 PolarHBondContact N-O 3.14Å; M322-T326 HydrophobicContact CB-CG2 4.38Å; M322-T326 HydrophobicContact CE-CG2 3.47Å; M322-T326 VanDerWaalsContact CE-CG2 3.47Å; M322-T326 HydrophobicContact CG-CG2 4.45Å; E323-T326 WeakPolarHBondContact O-CB 3.35Å; E323-T326 PolarHBondContact O-N 3.22Å; E323-T326 PolarHBondContact O-OG1 2.96Å; T326-L328 HydrophobicContact CG2-CD2 4.33Å; T326-L340 HydrophobicContact CG2-CB 4.01Å; T326-L340 HydrophobicContact CG2-CD1 4.35Å; T326-L340 PolarHBondContact OG1-O 3.19Å; T326-G342 PolarHBondContact OG1-N 3.01Å; T326-A343 CarbonylContact C-O 3.58Å; T326-A343 VanDerWaalsContact CA-O 3.29Å; T326-A343 WeakPolarHBondContact CA-O 3.35Å; T326-A343 HydrophobicContact CG2-CB 4.14Å; T326-A343 PolarHBondContact OG1-N 2.79Å
327V98.6Very high98.4Very high0 Ų047.2 Ų47.20%022%0.222CC..EExtended strand (participates in β ladder)trans-125.4123.7-179.6-173.50000109.7P16 L17 P224 I309 A343 L344 V345P16-V327 HydrophobicContact CG-CB 4.19Å; P16-V327 HydrophobicContact CG-CG1 3.68Å; L17-V327 HydrophobicContact CD2-CG1 3.78Å; L17-V327 HydrophobicContact CG-CG1 3.97Å; P224-V327 HydrophobicContact CB-CG2 3.52Å; P224-V327 HydrophobicContact CG-CG2 3.84Å; I309-V327 HydrophobicContact CB-CG1 4.06Å; I309-V327 HydrophobicContact CB-CG2 4.27Å; I309-V327 HydrophobicContact CD1-CG2 4.28Å; I309-V327 HydrophobicContact CG1-CG2 4.48Å; I309-V327 HydrophobicContact CG2-CG1 4.42Å; I309-V327 CarbonylContact O-C 3.46Å; I309-V327 VanDerWaalsContact O-CA 3.31Å; I309-V327 WeakPolarHBondContact O-CA 3.45Å; V327-A343 PolarHBondContact N-O 3.05Å; V327-L344 HydrophobicContact CB-CD2 3.75Å; V327-L344 HydrophobicContact CG2-CD2 3.65Å; V327-V345 PolarHBondContact O-N 3.18Å
328L98.6Very high98.4Very high0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans-95.8133168.3-50.6-173.9000108.5I309 V310 G311 V316 M322 T326 V332 V334 L340 V345I309-L328 PolarHBondContact O-N 2.94Å; V310-L328 HydrophobicContact CG1-CD1 4.31Å; V310-L328 HydrophobicContact CG2-CD1 4.42Å; G311-L328 WeakPolarHBondContact CA-O 3.46Å; G311-L328 PolarHBondContact N-O 2.59Å; V316-L328 HydrophobicContact CG2-CD1 3.87Å; M322-L328 HydrophobicContact CE-CD1 3.72Å; M322-L328 HydrophobicContact CE-CD2 3.86Å; M322-L328 HydrophobicContact CE-CG 3.63Å; M322-L328 HydrophobicContact SD-CD1 4.32Å; T326-L328 HydrophobicContact CG2-CD2 4.33Å; L328-V332 HydrophobicContact CB-CB 4.04Å; L328-V332 HydrophobicContact CB-CG1 4.27Å; L328-V332 HydrophobicContact CB-CG2 4.27Å; L328-V332 HydrophobicContact CD1-CG1 4.3Å; L328-V332 HydrophobicContact CD2-CG1 4.06Å; L328-V332 HydrophobicContact CG-CG1 4.43Å; L328-V334 HydrophobicContact CD1-CG2 3.81Å; L328-V334 HydrophobicContact CD2-CG2 4.23Å; L328-L340 HydrophobicContact CD2-CD1 4.28Å; L328-V345 HydrophobicContact CD2-CB 3.97Å; L328-V345 HydrophobicContact CD2-CG2 3.68Å
329G97.8Very high98.4Very high0 Ų046.6 Ų46.60%022%0.22CC..  trans-66.4-163.1167.600000112G311 S314 V345G311-G329 CarbonylContact C-O 3.47Å; G311-G329 WeakPolarHBondContact CA-O 3.16Å; S314-G329 PolarHBondContact OG-O 3.04Å; G329-V345 WeakPolarHBondContact CA-O 3.3Å; G329-V345 PolarHBondContact N-O 2.86Å
330E97.7Very high98.4Very high29 Ų2939.5 Ų39.514%0.13619%0.193CC..THydrogen-bonded Turntrans-73143.1172.4178.2-172.3151.600111.7S20 W312 R313 V332 P347 H348S20-E330 WeakPolarHBondContact CB-OE2 3.47Å; S20-E330 WeakPolarHBondContact OG-CB 3.45Å; S20-E330 PolarHBondContact OG-OE2 3.36Å; W312-E330 HydrophobicContact CB-CG 4.25Å; W312-E330 HydrophobicContact CE3-CB 4.42Å; W312-E330 CarbonylContact O-C 3.59Å; W312-E330 VanDerWaalsContact O-CA 3.28Å; W312-E330 WeakPolarHBondContact O-CA 3.12Å; R313-E330 IonicContact CZ-OE1 3.18Å; R313-E330 IonicContact NE-OE1 3.16Å; R313-E330 PolarHBondContact NE-OE1 3.32Å; R313-E330 VanDerWaalsContact NE-OE1 3.16Å; R313-E330 IonicContact NH2-OE1 3.14Å; R313-E330 PolarHBondContact NH2-OE1 3.17Å; R313-E330 IonicContact NH2-OE2 3.8Å; R313-E330 PolarHBondContact NH2-OE2 2.88Å; E330-V332 PolarHBondContact O-N 3.37Å; E330-P347 HydrophobicContact CB-CB 4.26Å; E330-P347 CarbonylContact O-C 3.46Å; E330-P347 WeakPolarHBondContact O-CA 3.21Å; E330-P347 WeakPolarHBondContact O-CB 3.22Å; E330-H348 PolarHBondContact O-N 2.77Å; E330-H348 IonicContact OE1-CE1 3.95Å
331D98.4Very high98.4Very high71 Ų7140.9 Ų40.938%0.3820%0.2SC..THydrogen-bonded Turntrans56.939.3168.5-174.743.3000112.4W312 R313 H348W312-D331 PolarHBondContact O-N 2.81Å; R313-D331 HydrophobicContact CB-CB 4.48Å; D331-H348 WeakPolarHBondContact CB-ND1 3.28Å; D331-H348 WeakPolarHBondContact O-CA 3.31Å; D331-H348 IonicContact OD2-CE1 3.18Å; D331-H348 IonicContact OD2-CG 3.38Å; D331-H348 IonicContact OD2-ND1 2.68Å; D331-H348 PolarHBondContact OD2-ND1 2.83Å
332V98.6Very high98.3Very high0 Ų035.5 Ų35.50%018%0.182CC..  trans-90.5131.1175175.50000109.4S314 V315 L328 E330 V334 V345 L346 N349 I351S314-V332 CarbonylContact C-O 3.56Å; S314-V332 WeakPolarHBondContact CA-O 3.09Å; S314-V332 VanDerWaalsContact CB-O 3.25Å; S314-V332 WeakPolarHBondContact CB-O 3.35Å; S314-V332 PolarHBondContact OG-N 2.82Å; V315-V332 PolarHBondContact N-O 3.45Å; L328-V332 HydrophobicContact CB-CB 4.04Å; L328-V332 HydrophobicContact CB-CG1 4.27Å; L328-V332 HydrophobicContact CB-CG2 4.27Å; L328-V332 HydrophobicContact CD1-CG1 4.3Å; L328-V332 HydrophobicContact CD2-CG1 4.06Å; L328-V332 HydrophobicContact CG-CG1 4.43Å; E330-V332 PolarHBondContact O-N 3.37Å; V332-V334 HydrophobicContact CG1-CG2 4.33Å; V332-V345 HydrophobicContact CB-CG1 4.43Å; V332-V345 HydrophobicContact CG1-CB 4.27Å; V332-V345 HydrophobicContact CG1-CG1 3.61Å; V332-V345 HydrophobicContact CG2-CB 4.42Å; V332-V345 HydrophobicContact CG2-CG1 3.88Å; V332-L346 WeakPolarHBondContact CG2-O 3.39Å; V332-N349 WeakPolarHBondContact CA-O 3.27Å; V332-I351 HydrophobicContact CG1-CG1 4.28Å
333S98.7Very high98.3Very high44 Ų4435.5 Ų35.531%0.30818%0.182SC..EExtended strand (participates in β ladder)trans-107.4120.1174-70.80000110.4V315 N349 L350 I351V315-S333 CarbonylContact O-C 3.59Å; V315-S333 WeakPolarHBondContact O-CA 3.25Å; S333-N349 PolarHBondContact N-O 2.88Å; S333-L350 CarbonylContact O-C 3.54Å; S333-L350 WeakPolarHBondContact O-CA 3.24Å; S333-I351 PolarHBondContact O-N 2.92Å
334V98.7Very high98.2Very high5 Ų536.7 Ų36.73%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-102.3122.4172.6-172.70000108.1V315 G317 V320 L328 V332 L338 L340 I351V315-V334 PolarHBondContact O-N 3.45Å; G317-V334 VanDerWaalsContact CA-O 3.27Å; G317-V334 WeakPolarHBondContact CA-O 3.4Å; G317-V334 PolarHBondContact N-O 3.12Å; V320-V334 HydrophobicContact CG1-CG1 4.04Å; V320-V334 HydrophobicContact CG2-CG1 4.04Å; L328-V334 HydrophobicContact CD1-CG2 3.81Å; L328-V334 HydrophobicContact CD2-CG2 4.23Å; V332-V334 HydrophobicContact CG1-CG2 4.33Å; V334-L338 HydrophobicContact CG1-CB 4.12Å; V334-L338 HydrophobicContact CG1-CD1 3.96Å; V334-L340 HydrophobicContact CG1-CD1 3.98Å; V334-L340 HydrophobicContact CG2-CD1 3.97Å; V334-I351 HydrophobicContact CG1-CB 4.39Å; V334-I351 HydrophobicContact CG2-CB 4.39Å; V334-I351 HydrophobicContact CG2-CG1 4.43Å
335K98.7Very high98.3Very high110 Ų11032.8 Ų32.848%0.47817%0.168SC..PPolyproline II helixtrans-65.2163.2175.4-70.8-166.6178.4-175.90111.5V320 L338 L350 I351V320-K335 WeakPolarHBondContact CG2-O 3.4Å; K335-L338 HydrophobicContact CB-CD1 4.02Å; K335-L338 HydrophobicContact CB-CG 4.43Å; K335-L338 WeakPolarHBondContact O-CG 3.25Å; K335-L350 HydrophobicContact CG-CD1 4.14Å; K335-I351 WeakPolarHBondContact CB-O 3.25Å; K335-I351 WeakPolarHBondContact CG-O 3.47Å; K335-I351 PolarHBondContact N-O 2.77Å
336D98.7Very high98.3Very high75 Ų7532.7 Ų32.740%0.40117%0.166SC..THydrogen-bonded Turntrans-61.3153.9178.5-58.4-12.7000111.3G317 K318 L338G317-D336 WeakPolarHBondContact CA-OD1 3.16Å; K318-D336 HydrophobicContact CB-CB 4.29Å; K318-D336 PolarHBondContact N-OD1 2.89Å; K318-D336 CarbonylContact O-C 3.51Å; K318-D336 VanDerWaalsContact O-CA 3.26Å; K318-D336 WeakPolarHBondContact O-CA 3.29Å; D336-L338 VanDerWaalsContact C-N 3.27Å; D336-L338 PolarHBondContact O-N 3.11Å
337E98.5Very high98.3Very high152 Ų15233.8 Ų33.871%0.7117%0.173SC*.THydrogen-bonded Turntrans62.826171.7-56.6176.5178.400115.2K318 W319K318-E337 PolarHBondContact O-N 3.28Å; W319-E337 HydrophobicContact CB-CG 4.1Å
338L98.5Very high98.2Very high18 Ų1839.5 Ų39.59%0.09420%0.2CC..  trans-97.3149.3178.8-60.4-171000113.1V320 R321 V334 K335 D336 I351V320-L338 CarbonylContact C-O 3.58Å; V320-L338 VanDerWaalsContact CA-O 3.29Å; V320-L338 WeakPolarHBondContact CA-O 3.42Å; V320-L338 HydrophobicContact CG2-CB 4.47Å; R321-L338 PolarHBondContact N-O 3.33Å; V334-L338 HydrophobicContact CG1-CB 4.12Å; V334-L338 HydrophobicContact CG1-CD1 3.96Å; K335-L338 HydrophobicContact CB-CD1 4.02Å; K335-L338 HydrophobicContact CB-CG 4.43Å; K335-L338 WeakPolarHBondContact O-CG 3.25Å; D336-L338 VanDerWaalsContact C-N 3.27Å; D336-L338 PolarHBondContact O-N 3.11Å; L338-I351 HydrophobicContact CD1-CB 4.49Å; L338-I351 HydrophobicContact CD1-CG2 3.95Å; L338-I351 VanDerWaalsContact CD1-O 3.25Å; L338-I351 WeakPolarHBondContact CD1-O 3.18Å
339F98.4Very high98.2Very high56 Ų5641.1 Ų41.125%0.24621%0.208CC..EExtended strand (participates in β ladder)trans-111.6124.5170.4172.6-127.4000109.9R321 E323 N341 S354 V355R321-F339 HydrophobicContact CB-CD2 3.87Å; R321-F339 HydrophobicContact CG-CD2 3.78Å; R321-F339 HydrophobicContact CG-CE2 4.04Å; R321-F339 CarbonylContact O-C 3.57Å; R321-F339 WeakPolarHBondContact O-CA 3.23Å; E323-F339 HydrophobicContact CG-CE2 3.83Å; E323-F339 HydrophobicContact CG-CZ 4.25Å; E323-F339 VanDerWaalsContact OE1-CE2 3.31Å; E323-F339 WeakPolarHBondContact OE1-CE2 3.36Å; E323-F339 VanDerWaalsContact OE1-CZ 3.25Å; E323-F339 WeakPolarHBondContact OE1-CZ 3.32Å; F339-N341 HydrophobicContact CE1-CB 3.84Å; F339-N341 HydrophobicContact CE2-CB 4.24Å; F339-N341 HydrophobicContact CZ-CB 3.61Å; F339-S354 PolarHBondContact N-OG 2.9Å; F339-S354 CarbonylContact O-C 3.58Å; F339-S354 WeakPolarHBondContact O-CA 3.28Å; F339-S354 VanDerWaalsContact O-CB 3.27Å; F339-S354 WeakPolarHBondContact O-CB 3.48Å; F339-V355 PolarHBondContact O-N 3.5Å
340L98.5Very high98.2Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-120.6121.4175.2-51.7-178.2000110.7R321 M322 E323 T326 L328 V334 A343 I351 V355R321-L340 PolarHBondContact O-N 2.96Å; M322-L340 CarbonylContact C-O 3.56Å; M322-L340 WeakPolarHBondContact CA-O 3.4Å; M322-L340 HydrophobicContact CG-CB 4.12Å; M322-L340 HydrophobicContact CG-CD1 4.18Å; M322-L340 HydrophobicContact CG-CG 4.36Å; E323-L340 PolarHBondContact N-O 2.91Å; T326-L340 HydrophobicContact CG2-CB 4.01Å; T326-L340 HydrophobicContact CG2-CD1 4.35Å; T326-L340 PolarHBondContact OG1-O 3.19Å; L328-L340 HydrophobicContact CD2-CD1 4.28Å; V334-L340 HydrophobicContact CG1-CD1 3.98Å; V334-L340 HydrophobicContact CG2-CD1 3.97Å; L340-A343 HydrophobicContact CB-CB 4.32Å; L340-I351 HydrophobicContact CD2-CG2 3.81Å; L340-V355 HydrophobicContact CD2-CB 3.75Å; L340-V355 HydrophobicContact CD2-CG2 3.6Å
341N98Very high98.2Very high29 Ų2944.9 Ų44.916%0.15523%0.229CC..EExtended strand (participates in β ladder)trans-121.4103-176.1-176.119.7000110.7N324 F339 A343 V355 S356 E357 P358N324-N341 VanDerWaalsContact CB-OD1 3.29Å; N324-N341 WeakPolarHBondContact CB-OD1 3.28Å; N324-N341 PolarHBondContact ND2-OD1 3.21Å; F339-N341 HydrophobicContact CE1-CB 3.84Å; F339-N341 HydrophobicContact CE2-CB 4.24Å; F339-N341 HydrophobicContact CZ-CB 3.61Å; N341-A343 VanDerWaalsContact C-N 3.27Å; N341-A343 PolarHBondContact O-N 2.89Å; N341-V355 WeakPolarHBondContact CB-O 3.34Å; N341-V355 PolarHBondContact N-O 3.26Å; N341-S356 PolarHBondContact ND2-O 2.91Å; N341-E357 CarbonylContact O-C 3.57Å; N341-P358 WeakPolarHBondContact O-CA 3.37Å
342G97.7Very high98.1Very high8 Ų844.7 Ų44.78%0.08223%0.233CC..SBendtrans61.829-177.800000114.9E323 N324 T326 P358E323-G342 PolarHBondContact O-N 2.85Å; N324-G342 WeakPolarHBondContact O-CA 3.28Å; T326-G342 PolarHBondContact OG1-N 3.01Å; G342-P358 VanDerWaalsContact O-CA 3.32Å; G342-P358 WeakPolarHBondContact O-CA 3.49Å; G342-P358 WeakPolarHBondContact O-CB 3.37Å
343A97.7Very high98Very high0 Ų052.6 Ų52.60%027%0.267CS..  trans-77135.5-179.800000111.4T326 V327 L340 N341 V345 V355 I361T326-A343 CarbonylContact C-O 3.58Å; T326-A343 VanDerWaalsContact CA-O 3.29Å; T326-A343 WeakPolarHBondContact CA-O 3.35Å; T326-A343 HydrophobicContact CG2-CB 4.14Å; T326-A343 PolarHBondContact OG1-N 2.79Å; V327-A343 PolarHBondContact N-O 3.05Å; L340-A343 HydrophobicContact CB-CB 4.32Å; N341-A343 VanDerWaalsContact C-N 3.27Å; N341-A343 PolarHBondContact O-N 2.89Å; A343-V345 HydrophobicContact CB-CG2 4.19Å; A343-V355 HydrophobicContact CB-CB 4.23Å; A343-V355 HydrophobicContact CB-CG1 3.71Å; A343-V355 HydrophobicContact CB-CG2 4.43Å; A343-I361 HydrophobicContact CB-CD1 4.39Å
344L98Very high98Very high48 Ų4853.5 Ų53.525%0.25127%0.274SS..EExtended strand (participates in β ladder)trans-108.2101.4169.4-60.9-177.7000108.6V327 H359 I360 I361V327-L344 HydrophobicContact CB-CD2 3.75Å; V327-L344 HydrophobicContact CG2-CD2 3.65Å; L344-H359 PolarHBondContact N-O 2.81Å; L344-I360 HydrophobicContact CB-CG1 4.19Å; L344-I360 HydrophobicContact CD1-CG1 4.22Å; L344-I360 CarbonylContact O-C 3.51Å; L344-I360 WeakPolarHBondContact O-CA 3.36Å; L344-I361 PolarHBondContact O-N 2.8Å
345V98.2Very high97.9Very high0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans-99.6120.1-172.3-173.10000110.6P16 V327 L328 G329 V332 A343 N349 I351 I361P16-V345 WeakPolarHBondContact CB-O 3.16Å; P16-V345 WeakPolarHBondContact CG-O 3.5Å; V327-V345 PolarHBondContact O-N 3.18Å; L328-V345 HydrophobicContact CD2-CB 3.97Å; L328-V345 HydrophobicContact CD2-CG2 3.68Å; G329-V345 WeakPolarHBondContact CA-O 3.3Å; G329-V345 PolarHBondContact N-O 2.86Å; V332-V345 HydrophobicContact CB-CG1 4.43Å; V332-V345 HydrophobicContact CG1-CB 4.27Å; V332-V345 HydrophobicContact CG1-CG1 3.61Å; V332-V345 HydrophobicContact CG2-CB 4.42Å; V332-V345 HydrophobicContact CG2-CG1 3.88Å; A343-V345 HydrophobicContact CB-CG2 4.19Å; V345-N349 HydrophobicContact CG1-CB 3.75Å; V345-I351 HydrophobicContact CG1-CD1 3.67Å; V345-I351 HydrophobicContact CG1-CG1 3.99Å; V345-I351 HydrophobicContact CG2-CD1 4.25Å; V345-I351 HydrophobicContact CG2-CG1 4.26Å; V345-I361 HydrophobicContact CG1-CB 4.41Å; V345-I361 HydrophobicContact CG2-CB 4.4Å; V345-I361 HydrophobicContact CG2-CD1 3.9Å
346L97.8Very high97.7Very high42 Ų4252.2 Ų52.222%0.2228%0.279CS..PPolyproline II helixtrans-65.9156.7178.6-85.870.9000111.6L19 V332 N349 I360 I361 M362L19-L346 HydrophobicContact CD1-CB 4.42Å; L19-L346 HydrophobicContact CD1-CD2 3.89Å; L19-L346 HydrophobicContact CD1-CG 3.64Å; V332-L346 WeakPolarHBondContact CG2-O 3.39Å; L346-N349 WeakPolarHBondContact O-CB 3.2Å; L346-N349 PolarHBondContact O-ND2 2.75Å; L346-I360 HydrophobicContact CD1-CG2 3.37Å; L346-I361 WeakPolarHBondContact CB-O 3.33Å; L346-I361 WeakPolarHBondContact CD1-O 3.18Å; L346-I361 PolarHBondContact N-O 3.16Å; L346-M362 HydrophobicContact CD1-CG 4.32Å; L346-M362 HydrophobicContact CD2-CB 4.31Å; L346-M362 HydrophobicContact CD2-CG 4.24Å
347P97.9Very high97.5Very high22 Ų2255.5 Ų55.514%0.14329%0.291CS..THydrogen-bonded Turntrans-54.4153.4179.6-27.336000114.4L19 E330 N349L19-P347 HydrophobicContact CB-CG 3.93Å; L19-P347 HydrophobicContact CD1-CG 4.47Å; E330-P347 HydrophobicContact CB-CB 4.26Å; E330-P347 CarbonylContact O-C 3.46Å; E330-P347 WeakPolarHBondContact O-CA 3.21Å; E330-P347 WeakPolarHBondContact O-CB 3.22Å; P347-N349 PolarHBondContact O-N 2.89Å; P347-N349 PolarHBondContact O-ND2 3.45Å
348H97.8Very high97.3Very high121 Ų12152.8 Ų52.856%0.5629%0.287SS*.THydrogen-bonded Turntrans63.321.4174.3-46.4-64.7000115.4E330 D331E330-H348 PolarHBondContact O-N 2.77Å; E330-H348 IonicContact OE1-CE1 3.95Å; D331-H348 WeakPolarHBondContact CB-ND1 3.28Å; D331-H348 WeakPolarHBondContact O-CA 3.31Å; D331-H348 IonicContact OD2-CE1 3.18Å; D331-H348 IonicContact OD2-CG 3.38Å; D331-H348 IonicContact OD2-ND1 2.68Å; D331-H348 PolarHBondContact OD2-ND1 2.83Å
349N97.5Very high97Very high34 Ų3456.2 Ų56.218%0.18230%0.302CS..  trans-93.7149.1-179.4-89.9-73.7000113.5V332 S333 V345 L346 P347 I351 M362V332-N349 WeakPolarHBondContact CA-O 3.27Å; S333-N349 PolarHBondContact N-O 2.88Å; V345-N349 HydrophobicContact CG1-CB 3.75Å; L346-N349 WeakPolarHBondContact O-CB 3.2Å; L346-N349 PolarHBondContact O-ND2 2.75Å; P347-N349 PolarHBondContact O-N 2.89Å; P347-N349 PolarHBondContact O-ND2 3.45Å; N349-I351 HydrophobicContact CB-CD1 4.46Å; N349-M362 PolarHBondContact ND2-OXT 3.08Å; N349-M362 PolarHBondContact OD1-O 2.78Å
350L97.8Very high96.7Very high101 Ų10158.6 Ų58.653%0.52932%0.317SS..EExtended strand (participates in β ladder)trans-109.8114.5170.7175.767.4000110.2S333 K335S333-L350 CarbonylContact O-C 3.54Å; S333-L350 WeakPolarHBondContact O-CA 3.24Å; K335-L350 HydrophobicContact CG-CD1 4.14Å
351I97.7Very high96.3Very high7 Ų760.1 Ų60.14%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-92117177.4-50.9-51.1000109.6V332 S333 V334 K335 L338 L340 V345 N349 K353 I361V332-I351 HydrophobicContact CG1-CG1 4.28Å; S333-I351 PolarHBondContact O-N 2.92Å; V334-I351 HydrophobicContact CG1-CB 4.39Å; V334-I351 HydrophobicContact CG2-CB 4.39Å; V334-I351 HydrophobicContact CG2-CG1 4.43Å; K335-I351 WeakPolarHBondContact CB-O 3.25Å; K335-I351 WeakPolarHBondContact CG-O 3.47Å; K335-I351 PolarHBondContact N-O 2.77Å; L338-I351 HydrophobicContact CD1-CB 4.49Å; L338-I351 HydrophobicContact CD1-CG2 3.95Å; L338-I351 VanDerWaalsContact CD1-O 3.25Å; L338-I351 WeakPolarHBondContact CD1-O 3.18Å; L340-I351 HydrophobicContact CD2-CG2 3.81Å; V345-I351 HydrophobicContact CG1-CD1 3.67Å; V345-I351 HydrophobicContact CG1-CG1 3.99Å; V345-I351 HydrophobicContact CG2-CD1 4.25Å; V345-I351 HydrophobicContact CG2-CG1 4.26Å; N349-I351 HydrophobicContact CB-CD1 4.46Å; I351-K353 WeakPolarHBondContact CG2-O 3.48Å; I351-I361 HydrophobicContact CD1-CB 4.41Å; I351-I361 HydrophobicContact CD1-CD1 3.75Å; I351-I361 HydrophobicContact CD1-CG2 3.74Å
352S97Very high95.8Very high66 Ų6667.3 Ų67.346%0.46236%0.359SS..  trans-119.1-0.5-177.158.80000114
353K96.9Very high95.7Very high166 Ų16670.3 Ų70.372%0.72237%0.373SS*.SBendtrans-136.6147.6178.2-65.3-177.4-178.9178.50109.5I351I351-K353 WeakPolarHBondContact CG2-O 3.48Å
354S97.7Very high95.6Very high64 Ų6474 Ų7445%0.44839%0.393SS..  trans-64.4151.5173.6-62.90000111.4F339F339-S354 PolarHBondContact N-OG 2.9Å; F339-S354 CarbonylContact O-C 3.58Å; F339-S354 WeakPolarHBondContact O-CA 3.28Å; F339-S354 VanDerWaalsContact O-CB 3.27Å; F339-S354 WeakPolarHBondContact O-CB 3.48Å
355V96.8Very high95.5Very high7 Ų775.4 Ų75.44%0.04240%0.401CS..BIsolated β-bridgetrans-121.599.6179.9169.20000107.2F339 L340 N341 A343 E357 H359 I361F339-V355 PolarHBondContact O-N 3.5Å; L340-V355 HydrophobicContact CD2-CB 3.75Å; L340-V355 HydrophobicContact CD2-CG2 3.6Å; N341-V355 WeakPolarHBondContact CB-O 3.34Å; N341-V355 PolarHBondContact N-O 3.26Å; A343-V355 HydrophobicContact CB-CB 4.23Å; A343-V355 HydrophobicContact CB-CG1 3.71Å; A343-V355 HydrophobicContact CB-CG2 4.43Å; V355-E357 VanDerWaalsContact CG1-O 3.24Å; V355-E357 WeakPolarHBondContact CG1-O 3.39Å; V355-H359 WeakPolarHBondContact CG1-CE1 3.27Å; V355-H359 WeakPolarHBondContact CG1-ND1 3.26Å; V355-H359 VanDerWaalsContact CG2-CE1 3.46Å; V355-H359 WeakPolarHBondContact CG2-CE1 3.47Å; V355-I361 HydrophobicContact CG2-CD1 3.57Å
356S95.1Very high95.3Very high81 Ų8179.9 Ų79.957%0.56642%0.424SS*.  trans-82.7-23.2-176.852.50000113.7N341N341-S356 PolarHBondContact ND2-O 2.91Å
357E94.8Very high95.2Very high144 Ų14482.3 Ų82.367%0.67344%0.437SS*.SBendtrans-125.5146.6-178.3-65.8-176.9-179.800111.1N341 V355 H359N341-E357 CarbonylContact O-C 3.57Å; V355-E357 VanDerWaalsContact CG1-O 3.24Å; V355-E357 WeakPolarHBondContact CG1-O 3.39Å; E357-H359 PolarHBondContact O-N 2.84Å; E357-H359 PolarHBondContact O-ND1 2.87Å
358P93.9Very high95Very high95 Ų9586.3 Ų86.362%0.61746%0.457SS*.  trans-57.1120.1178.3-2534.2000112.2N341 G342N341-P358 WeakPolarHBondContact O-CA 3.37Å; G342-P358 VanDerWaalsContact O-CA 3.32Å; G342-P358 WeakPolarHBondContact O-CA 3.49Å; G342-P358 WeakPolarHBondContact O-CB 3.37Å
359H91.1Very high94.8Very high89 Ų8983.8 Ų83.841%0.41245%0.449SS..  trans-154.6162.1173.366.5-89.1000111.9L344 V355 E357 I361L344-H359 PolarHBondContact N-O 2.81Å; V355-H359 WeakPolarHBondContact CG1-CE1 3.27Å; V355-H359 WeakPolarHBondContact CG1-ND1 3.26Å; V355-H359 VanDerWaalsContact CG2-CE1 3.46Å; V355-H359 WeakPolarHBondContact CG2-CE1 3.47Å; E357-H359 PolarHBondContact O-N 2.84Å; E357-H359 PolarHBondContact O-ND1 2.87Å; H359-I361 VanDerWaalsContact NE2-CG1 3.34Å; H359-I361 WeakPolarHBondContact NE2-CG1 3.14Å
360I93.4Very high94.6Very high107 Ų10787.6 Ų87.655%0.54947%0.47SS..EExtended strand (participates in β ladder)trans-87.2126.7174.6-58.5173.9000108.5L344 L346 M362L344-I360 HydrophobicContact CB-CG1 4.19Å; L344-I360 HydrophobicContact CD1-CG1 4.22Å; L344-I360 CarbonylContact O-C 3.51Å; L344-I360 WeakPolarHBondContact O-CA 3.36Å; L346-I360 HydrophobicContact CD1-CG2 3.37Å; I360-M362 HydrophobicContact CG2-CG 4.17Å
361I90.5Very high94.3Very high31 Ų3186.5 Ų86.516%0.15947%0.465CS..EExtended strand (participates in β ladder)trans-105.2112.1173.9-58.3170.3000107.4A343 L344 V345 L346 I351 V355 H359A343-I361 HydrophobicContact CB-CD1 4.39Å; L344-I361 PolarHBondContact O-N 2.8Å; V345-I361 HydrophobicContact CG1-CB 4.41Å; V345-I361 HydrophobicContact CG2-CB 4.4Å; V345-I361 HydrophobicContact CG2-CD1 3.9Å; L346-I361 WeakPolarHBondContact CB-O 3.33Å; L346-I361 WeakPolarHBondContact CD1-O 3.18Å; L346-I361 PolarHBondContact N-O 3.16Å; I351-I361 HydrophobicContact CD1-CB 4.41Å; I351-I361 HydrophobicContact CD1-CD1 3.75Å; I351-I361 HydrophobicContact CD1-CG2 3.74Å; V355-I361 HydrophobicContact CG2-CD1 3.57Å; H359-I361 VanDerWaalsContact NE2-CG1 3.34Å; H359-I361 WeakPolarHBondContact NE2-CG1 3.14Å
362M87.3Confident94Very high181 Ų18193.7 Ų93.789%0.89250%0.504SS*.  trans-87.40-174.9-66.1-177.9-71.900112.8L346 N349 I360L346-M362 HydrophobicContact CD1-CG 4.32Å; L346-M362 HydrophobicContact CD2-CB 4.31Å; L346-M362 HydrophobicContact CD2-CG 4.24Å; N349-M362 PolarHBondContact ND2-OXT 3.08Å; N349-M362 PolarHBondContact OD1-O 2.78Å; I360-M362 HydrophobicContact CG2-CG 4.17Å

Retrieved 362 of 362 residues in 1431.5 ms (Link to these results)

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