A0A3Q0KEP2_SCHMA Loading...

E3 ubiquitin-protein ligase E3D

AlphaFold DB , UniProt , Accession A0A3Q0KEP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 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
1M89.5Confident86.7Confident94 Ų9445.4 Ų45.446%0.46324%0.235SC..  01310-167.5173.7-65.700109F3 Y17 C18 T299 T300M1-F3 HydrophobicContact CB-CE2 4.04Å; M1-F3 HydrophobicContact CB-CZ 4.25Å; M1-F3 HydrophobicContact CG-CD2 4.5Å; M1-F3 HydrophobicContact CG-CE1 4.15Å; M1-F3 HydrophobicContact CG-CE2 3.83Å; M1-F3 HydrophobicContact CG-CZ 3.66Å; M1-F3 HydrophobicContact SD-CE1 3.57Å; M1-F3 VanDerWaalsContact SD-CE1 3.57Å; M1-F3 HydrophobicContact SD-CE2 3.93Å; M1-F3 HydrophobicContact SD-CZ 3.15Å; M1-F3 WeakPolarHBondContact SD-CZ 3.41Å; M1-Y17 WeakPolarHBondContact O-CD2 3.5Å; M1-C18 PolarHBondContact N-O 2.94Å; M1-C18 PolarHBondContact O-N 2.94Å; M1-T299 HydrophobicContact CG-CG2 4.48Å; M1-T299 HydrophobicContact SD-CG2 4.3Å; M1-T300 WeakPolarHBondContact CG-O 3.2Å
2L91.4Very high86.7Confident2 Ų242.6 Ų42.61%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-105132.2176.3178.967.4000109.3V15 Y17 I37 V46 T299 T300 L302L2-V15 HydrophobicContact CD1-CG1 3.77Å; L2-Y17 HydrophobicContact CB-CD2 4.49Å; L2-I37 HydrophobicContact CB-CD1 4.46Å; L2-I37 HydrophobicContact CD1-CD1 3.87Å; L2-I37 HydrophobicContact CD2-CD1 4.29Å; L2-I37 HydrophobicContact CG-CD1 4.43Å; L2-V46 HydrophobicContact CD2-CB 3.96Å; L2-V46 HydrophobicContact CD2-CG1 3.75Å; L2-V46 HydrophobicContact CD2-CG2 3.79Å; L2-T299 WeakPolarHBondContact O-CA 3.17Å; L2-T300 HydrophobicContact CB-CG2 4.29Å; L2-T300 PolarHBondContact N-O 2.99Å; L2-T300 PolarHBondContact O-N 2.79Å; L2-L302 HydrophobicContact CB-CD1 4.22Å; L2-L302 HydrophobicContact CB-CG 4.38Å
3F93.8Very high86.8Confident10 Ų1039.3 Ų39.34%0.04421%0.205CC..EExtended strand (participates in β ladder)trans-118.6135.2171.7-52.9-89.2000107.9M1 V15 T16 C18 Y298 T299 R389 A391M1-F3 HydrophobicContact CB-CE2 4.04Å; M1-F3 HydrophobicContact CB-CZ 4.25Å; M1-F3 HydrophobicContact CG-CD2 4.5Å; M1-F3 HydrophobicContact CG-CE1 4.15Å; M1-F3 HydrophobicContact CG-CE2 3.83Å; M1-F3 HydrophobicContact CG-CZ 3.66Å; M1-F3 HydrophobicContact SD-CE1 3.57Å; M1-F3 VanDerWaalsContact SD-CE1 3.57Å; M1-F3 HydrophobicContact SD-CE2 3.93Å; M1-F3 HydrophobicContact SD-CZ 3.15Å; M1-F3 WeakPolarHBondContact SD-CZ 3.41Å; F3-V15 WeakPolarHBondContact O-CA 3.15Å; F3-T16 HydrophobicContact CD2-CG2 4.4Å; F3-T16 PolarHBondContact N-O 2.84Å; F3-T16 PolarHBondContact O-N 3.3Å; F3-C18 HydrophobicContact CE2-CB 4.21Å; F3-Y298 WeakPolarHBondContact CA-O 3Å; F3-T299 HydrophobicContact CD1-CG2 3.69Å; F3-T299 HydrophobicContact CE1-CG2 3.76Å; F3-R389 WeakPolarHBondContact CD1-O 3.28Å; F3-A391 HydrophobicContact CB-CB 4.23Å; F3-A391 HydrophobicContact CD2-CB 4.33Å; F3-A391 HydrophobicContact CG-CB 4.28Å
4A91.8Very high87Confident2 Ų238.3 Ų38.32%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-131.3128.2163.100000109L13 D14 V15 L48 Y298A4-L13 HydrophobicContact CB-CD1 3.92Å; A4-D14 CarbonylContact C-O 3.42Å; A4-D14 VanDerWaalsContact CA-O 3.25Å; A4-D14 WeakPolarHBondContact CA-O 3.4Å; A4-V15 HydrophobicContact CB-CG2 4.31Å; A4-L48 HydrophobicContact CB-CD1 3.96Å; A4-L48 HydrophobicContact CB-CD2 4.46Å; A4-Y298 HydrophobicContact CB-CD2 4.27Å; A4-Y298 HydrophobicContact CB-CG 4.44Å; A4-Y298 PolarHBondContact N-O 2.87Å; A4-Y298 PolarHBondContact O-N 2.72Å
5E92.2Very high87.2Confident13 Ų1335.7 Ų35.76%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-112.2122.8174.6-172.2-170141.100109V7 L13 D14 L295 L297 R337E5-V7 HydrophobicContact CG-CG2 4.41Å; E5-V7 VanDerWaalsContact OE1-CG2 3.3Å; E5-V7 WeakPolarHBondContact OE1-CG2 3.09Å; E5-L13 CarbonylContact O-C 3.58Å; E5-L13 WeakPolarHBondContact O-CA 3.2Å; E5-D14 HydrophobicContact CB-CB 4.42Å; E5-D14 PolarHBondContact N-O 2.88Å; E5-D14 PolarHBondContact O-N 3.41Å; E5-L295 HydrophobicContact CG-CB 4.34Å; E5-L295 HydrophobicContact CG-CD1 4.11Å; E5-L297 HydrophobicContact CB-CD2 4.44Å; E5-L297 HydrophobicContact CG-CD2 4.05Å; E5-R337 IonicContact OE1-CZ 3.43Å; E5-R337 IonicContact OE1-NE 3.33Å; E5-R337 IonicContact OE1-NH1 3.99Å; E5-R337 IonicContact OE1-NH2 3.26Å; E5-R337 PolarHBondContact OE1-NH2 2.79Å; E5-R337 IonicContact OE2-CZ 3.43Å; E5-R337 VanDerWaalsContact OE2-CZ 3.27Å; E5-R337 IonicContact OE2-NH1 3.51Å; E5-R337 PolarHBondContact OE2-NH1 2.75Å; E5-R337 IonicContact OE2-NH2 2.69Å; E5-R337 PolarHBondContact OE2-NH2 2.77Å
6A89.2Confident87.4Confident0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-116.6112.8-174.900000107.6S12 L13 L51 Y77 L295 R296 Y298A6-S12 CarbonylContact C-O 3.56Å; A6-S12 WeakPolarHBondContact CA-O 3.44Å; A6-L13 HydrophobicContact CB-CD1 3.67Å; A6-L51 HydrophobicContact CB-CD1 4.19Å; A6-L51 HydrophobicContact CB-CD2 4.32Å; A6-Y77 WeakPolarHBondContact CA-OH 3.37Å; A6-Y77 HydrophobicContact CB-CE1 3.47Å; A6-Y77 VanDerWaalsContact CB-CE1 3.47Å; A6-Y77 WeakPolarHBondContact CB-OH 3.44Å; A6-Y77 PolarHBondContact O-OH 3.48Å; A6-L295 CarbonylContact O-C 3.5Å; A6-L295 WeakPolarHBondContact O-CA 3.38Å; A6-L295 WeakPolarHBondContact O-CB 2.83Å; A6-R296 HydrophobicContact CB-CB 4.21Å; A6-R296 PolarHBondContact N-O 3.35Å; A6-R296 PolarHBondContact O-N 2.75Å; A6-Y298 HydrophobicContact CB-CD2 4.43Å; A6-Y298 HydrophobicContact CB-CE2 3.82Å
7V87.9Confident87.4Confident4 Ų432.2 Ų32.22%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-98.1127.9-174.3-177.70000110.5E5 S10 K11 S12 Y77 Q293 L295E5-V7 HydrophobicContact CG-CG2 4.41Å; E5-V7 VanDerWaalsContact OE1-CG2 3.3Å; E5-V7 WeakPolarHBondContact OE1-CG2 3.09Å; V7-S10 VanDerWaalsContact CB-OG 3.26Å; V7-S10 WeakPolarHBondContact CB-OG 3.21Å; V7-S10 WeakPolarHBondContact CG1-OG 3.33Å; V7-K11 PolarHBondContact O-N 3.1Å; V7-S12 PolarHBondContact N-O 2.97Å; V7-S12 PolarHBondContact O-N 3.42Å; V7-Y77 PolarHBondContact N-OH 3.43Å; V7-Y77 PolarHBondContact O-OH 3.1Å; V7-Q293 HydrophobicContact CG1-CG 3.74Å; V7-L295 HydrophobicContact CG2-CB 4.45Å
8D81.1Confident87.4Confident44 Ų4431.7 Ų31.724%0.23517%0.167CC..THydrogen-bonded Turntrans-70.3-48-169.6-74.611.6000112.3K294 R296D8-K294 HydrophobicContact CB-CB 4.2Å; D8-K294 PolarHBondContact N-O 2.86Å; D8-R296 IonicContact OD1-CZ 3.43Å; D8-R296 IonicContact OD1-NH1 3.43Å; D8-R296 PolarHBondContact OD1-NH1 3.49Å; D8-R296 IonicContact OD2-NH1 3.29Å; D8-R296 PolarHBondContact OD2-NH1 2.94Å
9N77.9Confident86.8Confident129 Ų12932.8 Ų32.869%0.6917%0.169SC*.THydrogen-bonded Turntrans-74.6-31.7-173.8-68.1-10.1000113.4
10S77.4Confident86Confident64 Ų6437.8 Ų37.845%0.44819%0.194SC..THydrogen-bonded Turntrans-92.5-4.5-178.953.20000113.9V7 S12V7-S10 VanDerWaalsContact CB-OG 3.26Å; V7-S10 WeakPolarHBondContact CB-OG 3.21Å; V7-S10 WeakPolarHBondContact CG1-OG 3.33Å; S10-S12 PolarHBondContact O-N 3.28Å; S10-S12 PolarHBondContact OG-OG 2.84Å
11K81.7Confident84.9Confident137 Ų13745 Ų4560%0.59622%0.224SC*.THydrogen-bonded Turntrans50.540.1-174.8-60.5-177.7-179.9179.70112.2V7 N74 A75V7-K11 PolarHBondContact O-N 3.1Å; K11-N74 CarbonylContact O-C 3.52Å; K11-N74 WeakPolarHBondContact O-CA 3.22Å; K11-A75 CarbonylContact C-O 3.47Å; K11-A75 VanDerWaalsContact CA-O 3.22Å; K11-A75 WeakPolarHBondContact CA-O 3.45Å; K11-A75 WeakPolarHBondContact CB-O 3.24Å; K11-A75 PolarHBondContact O-N 2.82Å
12S86.5Confident83.3Confident12 Ų1243.2 Ų43.28%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-115.4145-175.961.60000111.6A6 V7 S10 F73A6-S12 CarbonylContact C-O 3.56Å; A6-S12 WeakPolarHBondContact CA-O 3.44Å; V7-S12 PolarHBondContact N-O 2.97Å; V7-S12 PolarHBondContact O-N 3.42Å; S10-S12 PolarHBondContact O-N 3.28Å; S10-S12 PolarHBondContact OG-OG 2.84Å; S12-F73 CarbonylContact C-O 3.56Å; S12-F73 WeakPolarHBondContact CA-O 3.22Å
13L88Confident81.6Confident0 Ų050.2 Ų50.20%026%0.258CS..EExtended strand (participates in β ladder)trans-123111.9173.1177.871.7000109.1A4 E5 A6 V15 L48 L51 I53 R72 F73 A75A4-L13 HydrophobicContact CB-CD1 3.92Å; E5-L13 CarbonylContact O-C 3.58Å; E5-L13 WeakPolarHBondContact O-CA 3.2Å; A6-L13 HydrophobicContact CB-CD1 3.67Å; L13-V15 HydrophobicContact CD2-CG2 3.94Å; L13-V15 HydrophobicContact CG-CG2 3.88Å; L13-L48 HydrophobicContact CD1-CD1 4.15Å; L13-L48 HydrophobicContact CD2-CD1 3.98Å; L13-L51 HydrophobicContact CD1-CD1 3.91Å; L13-I53 HydrophobicContact CD2-CD1 3.61Å; L13-I53 HydrophobicContact CD2-CG1 3.88Å; L13-R72 CarbonylContact O-C 3.54Å; L13-R72 WeakPolarHBondContact O-CA 3.49Å; L13-F73 HydrophobicContact CB-CB 4.35Å; L13-F73 PolarHBondContact N-O 3.09Å; L13-F73 PolarHBondContact O-N 2.92Å; L13-A75 HydrophobicContact CB-CB 3.67Å; L13-A75 HydrophobicContact CD2-CB 4.45Å
14D89.7Confident80.4Confident25 Ų2551.6 Ų51.613%0.13428%0.275CS..EExtended strand (participates in β ladder)trans-94.2113.6172.6-75.2-32.3000109.3A4 E5 R72A4-D14 CarbonylContact C-O 3.42Å; A4-D14 VanDerWaalsContact CA-O 3.25Å; A4-D14 WeakPolarHBondContact CA-O 3.4Å; E5-D14 HydrophobicContact CB-CB 4.42Å; E5-D14 PolarHBondContact N-O 2.88Å; E5-D14 PolarHBondContact O-N 3.41Å; D14-R72 WeakPolarHBondContact OD1-CB 3.41Å; D14-R72 WeakPolarHBondContact OD1-CG 2.97Å; D14-R72 IonicContact OD1-CZ 3.57Å; D14-R72 IonicContact OD1-NE 2.75Å; D14-R72 PolarHBondContact OD1-NE 3.42Å; D14-R72 IonicContact OD1-NH2 2.84Å; D14-R72 PolarHBondContact OD1-NH2 2.84Å; D14-R72 IonicContact OD2-CZ 3.47Å; D14-R72 IonicContact OD2-NE 3.35Å; D14-R72 PolarHBondContact OD2-NE 3.39Å; D14-R72 IonicContact OD2-NH2 2.7Å; D14-R72 PolarHBondContact OD2-NH2 2.72Å
15V89.7Confident79.4Confident0 Ų057.5 Ų57.50%031%0.305CS..EExtended strand (participates in β ladder)trans-104.5129.2178.4-179.10000108.7L2 F3 A4 L13 I35 S70 C71 F73L2-V15 HydrophobicContact CD1-CG1 3.77Å; F3-V15 WeakPolarHBondContact O-CA 3.15Å; A4-V15 HydrophobicContact CB-CG2 4.31Å; L13-V15 HydrophobicContact CD2-CG2 3.94Å; L13-V15 HydrophobicContact CG-CG2 3.88Å; V15-I35 HydrophobicContact CB-CD1 4.36Å; V15-I35 HydrophobicContact CG1-CD1 3.8Å; V15-I35 HydrophobicContact CG1-CG2 4.44Å; V15-I35 HydrophobicContact CG2-CD1 3.56Å; V15-S70 CarbonylContact O-C 3.47Å; V15-S70 VanDerWaalsContact O-CA 3.28Å; V15-S70 WeakPolarHBondContact O-CA 3.09Å; V15-S70 PolarHBondContact O-OG 3.46Å; V15-C71 PolarHBondContact N-O 2.98Å; V15-C71 PolarHBondContact O-N 2.84Å; V15-F73 HydrophobicContact CB-CE2 4.2Å; V15-F73 HydrophobicContact CG2-CD2 3.97Å; V15-F73 HydrophobicContact CG2-CE2 3.88Å
16T90.2Very high78.6Confident3 Ų357.6 Ų57.62%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-130.4127.2174.3-590000110.8F3 T68 L69 S70 A391 H393F3-T16 HydrophobicContact CD2-CG2 4.4Å; F3-T16 PolarHBondContact N-O 2.84Å; F3-T16 PolarHBondContact O-N 3.3Å; T16-T68 HydrophobicContact CG2-CG2 3.56Å; T16-L69 CarbonylContact C-O 3.53Å; T16-L69 VanDerWaalsContact CA-O 3.32Å; T16-L69 WeakPolarHBondContact CA-O 3.46Å; T16-S70 PolarHBondContact OG1-OG 2.91Å; T16-A391 HydrophobicContact CG2-CB 3.81Å; T16-A391 WeakPolarHBondContact OG1-CB 3.2Å; T16-H393 VanDerWaalsContact CG2-CE1 3.41Å; T16-H393 WeakPolarHBondContact CG2-CE1 3.48Å; T16-H393 PolarHBondContact OG1-CE1 2.97Å
17Y88.2Confident78Confident9 Ų962.9 Ų62.94%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-109.5115.8169.9-178.1-124.8000110.2M1 L2 R19 I37 T68 L69 L302M1-Y17 WeakPolarHBondContact O-CD2 3.5Å; L2-Y17 HydrophobicContact CB-CD2 4.49Å; Y17-R19 HydrophobicContact CD1-CB 4.39Å; Y17-R19 HydrophobicContact CE1-CB 3.77Å; Y17-I37 HydrophobicContact CD1-CD1 4.36Å; Y17-I37 HydrophobicContact CD1-CG2 3.92Å; Y17-I37 HydrophobicContact CD2-CD1 3.47Å; Y17-I37 VanDerWaalsContact CD2-CD1 3.47Å; Y17-I37 HydrophobicContact CE1-CG2 3.71Å; Y17-I37 HydrophobicContact CE2-CD1 3.88Å; Y17-I37 HydrophobicContact CE2-CG2 4.38Å; Y17-I37 HydrophobicContact CG-CD1 3.76Å; Y17-I37 HydrophobicContact CG-CG2 4.35Å; Y17-T68 WeakPolarHBondContact O-CA 3.46Å; Y17-L69 PolarHBondContact N-O 3.16Å; Y17-L69 PolarHBondContact O-N 3.37Å; Y17-L302 HydrophobicContact CD2-CD1 4.36Å; Y17-L302 HydrophobicContact CE2-CD1 3.88Å
18C86.3Confident77.6Confident23 Ų2363.1 Ų63.116%0.15533%0.329CS..EExtended strand (participates in β ladder)trans-97.8114.4171-66.10000108.9M1 F3 S67M1-C18 PolarHBondContact N-O 2.94Å; M1-C18 PolarHBondContact O-N 2.94Å; F3-C18 HydrophobicContact CE2-CB 4.21Å; C18-S67 WeakPolarHBondContact CA-O 3.48Å
19R77.5Confident77.5Confident52 Ų5262.8 Ų62.820%0.19633%0.327CS..  trans-100.1149.5178.462.2176.9-178.8175.32.4111.3Y17 G24 D66 S67Y17-R19 HydrophobicContact CD1-CB 4.39Å; Y17-R19 HydrophobicContact CE1-CB 3.77Å; R19-G24 PolarHBondContact NH1-O 3.4Å; R19-D66 PolarHBondContact NE-O 2.91Å; R19-D66 PolarHBondContact NH2-O 3.37Å; R19-S67 WeakPolarHBondContact CG-O 3.34Å; R19-S67 PolarHBondContact N-O 2.97Å
20I69.1Low77.4Confident132 Ų13257.1 Ų57.168%0.67730%0.297SS*.  trans-67.7152.8157.8-60.1174000106.3E22I20-E22 VanDerWaalsContact C-N 3.27Å; I20-E22 PolarHBondContact O-N 3.01Å
21K63.4Low77.5Confident189 Ų18958.9 Ų58.982%0.82230%0.295SS*.  trans-61.988.2-178.9-166.3178.5-176.6179.40110
22E56.6Low77.2Confident58 Ų5854.8 Ų54.827%0.27128%0.283SS..  trans-86147.4173.7-75.2178-162.300110.5I20 G24 N39I20-E22 VanDerWaalsContact C-N 3.27Å; I20-E22 PolarHBondContact O-N 3.01Å; E22-G24 PolarHBondContact O-N 2.92Å; E22-N39 PolarHBondContact OE1-ND2 3.35Å; E22-N39 PolarHBondContact OE2-ND2 3.04Å
23T56.2Low76.6Confident149 Ų14958 Ų5891%0.91430%0.299SS*.SBendtrans-81.985.1170.150.30000109.1
24G67.1Low76.4Confident38 Ų3858.2 Ų58.239%0.39230%0.301SS..SBendtrans167.8167.1175.400000116.7R19 E22R19-G24 PolarHBondContact NH1-O 3.4Å; E22-G24 PolarHBondContact O-N 2.92Å
25L71.6Confident76.3Confident126 Ų12657 Ų5766%0.6630%0.295SS*.  trans-70.8138170.5-68.2167.3000109.6Y27L25-Y27 HydrophobicContact CB-CE2 3.9Å
26C75.1Confident76.1Confident15 Ų1558.5 Ų58.510%0.10130%0.301CS..  trans-126.5133.1174.8171.40000109.1Q38 N39 L69C26-Q38 CarbonylContact C-O 3.55Å; C26-Q38 VanDerWaalsContact CA-O 3.25Å; C26-Q38 WeakPolarHBondContact CA-O 3.45Å; C26-N39 PolarHBondContact SG-OD1 3.21Å; C26-L69 HydrophobicContact CB-CD1 4.24Å
27Y77Confident75.9Confident112 Ų11258.3 Ų58.344%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-121140.4177.4-56.5-82.3000110L25 I37 Q38L25-Y27 HydrophobicContact CB-CE2 3.9Å; Y27-I37 CarbonylContact O-C 3.58Å; Y27-I37 WeakPolarHBondContact O-CA 3.49Å; Y27-Q38 PolarHBondContact N-O 3.34Å; Y27-Q38 PolarHBondContact O-N 3.07Å
28I79.5Confident75.6Confident9 Ų960.9 Ų60.95%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-111.6112.5168.1-53.2175.3000106.9V30 I35 E36 L61 L69I28-V30 HydrophobicContact CG2-CG2 4.02Å; I28-I35 HydrophobicContact CG2-CG2 3.65Å; I28-E36 CarbonylContact C-O 3.55Å; I28-E36 WeakPolarHBondContact CA-O 3.36Å; I28-L61 HydrophobicContact CB-CD2 3.97Å; I28-L61 HydrophobicContact CD1-CD2 3.93Å; I28-L61 HydrophobicContact CG1-CD2 4.12Å; I28-L69 HydrophobicContact CD1-CB 3.74Å; I28-L69 HydrophobicContact CD1-CD1 4.25Å; I28-L69 HydrophobicContact CG1-CD1 4.26Å
29N78.5Confident75.2Confident36 Ų3660.3 Ų60.319%0.19331%0.308CS..EExtended strand (participates in β ladder)trans-98.5138.3170.4-56.2-45.1000108.4Y31 I35 E36 Q38N29-Y31 HydrophobicContact CB-CE2 3.78Å; N29-I35 CarbonylContact O-C 3.57Å; N29-I35 WeakPolarHBondContact O-CA 3.33Å; N29-E36 HydrophobicContact CB-CB 4.19Å; N29-E36 PolarHBondContact N-O 2.91Å; N29-E36 PolarHBondContact ND2-OE1 2.9Å; N29-E36 PolarHBondContact O-N 3.45Å; N29-Q38 PolarHBondContact ND2-NE2 3.14Å
30V76.6Confident75.1Confident10 Ų1060.8 Ų60.86%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-124.1126.7179.4-1790000109.4I28 I35 I53 F73I28-V30 HydrophobicContact CG2-CG2 4.02Å; V30-I35 HydrophobicContact CG1-CG1 4.3Å; V30-I35 HydrophobicContact CG2-CG1 4.1Å; V30-I35 HydrophobicContact CG2-CG2 4.3Å; V30-I53 HydrophobicContact CG1-CD1 3.88Å; V30-I53 HydrophobicContact CG1-CG2 3.85Å; V30-F73 HydrophobicContact CB-CD1 4.29Å; V30-F73 HydrophobicContact CB-CE1 3.63Å; V30-F73 HydrophobicContact CB-CE2 4.16Å; V30-F73 HydrophobicContact CB-CZ 3.59Å; V30-F73 HydrophobicContact CG1-CD1 4.13Å; V30-F73 HydrophobicContact CG1-CD2 4.36Å; V30-F73 HydrophobicContact CG1-CE1 3.97Å; V30-F73 HydrophobicContact CG1-CE2 4.22Å; V30-F73 HydrophobicContact CG1-CG 4.33Å; V30-F73 HydrophobicContact CG1-CZ 4.05Å; V30-F73 HydrophobicContact CG2-CD2 4.45Å; V30-F73 HydrophobicContact CG2-CE1 3.82Å; V30-F73 HydrophobicContact CG2-CE2 3.56Å; V30-F73 HydrophobicContact CG2-CZ 3.19Å
31Y79Confident75.3Confident102 Ų10259.2 Ų59.240%0.432%0.316SS..  trans-114.6179-179.8-54.1-82.3000109.6N29 D33 T34 E36 I53N29-Y31 HydrophobicContact CB-CE2 3.78Å; Y31-D33 VanDerWaalsContact C-N 3.25Å; Y31-D33 PolarHBondContact O-N 3.26Å; Y31-T34 WeakPolarHBondContact CA-O 2.94Å; Y31-T34 WeakPolarHBondContact CB-O 3.33Å; Y31-T34 PolarHBondContact N-O 2.88Å; Y31-E36 HydrophobicContact CD2-CB 4.4Å; Y31-E36 HydrophobicContact CE2-CB 3.71Å; Y31-I53 WeakPolarHBondContact O-CD1 3.11Å
32S75.7Confident76Confident50 Ų5052 Ų5235%0.3529%0.285SS..SBendtrans-57.9-31.8-173.544.20000115I53 C55S32-I53 WeakPolarHBondContact CA-O 3.39Å; S32-I53 WeakPolarHBondContact O-CB 3.26Å; S32-I53 PolarHBondContact O-N 3.45Å; S32-C55 PolarHBondContact N-SG 3Å
33D74.1Confident77.4Confident79 Ų7949.5 Ų49.542%0.42227%0.274SS..SBendtrans-133.6-0.3-175.860.6-7.2000112.8Y31 T47 L48Y31-D33 VanDerWaalsContact C-N 3.25Å; Y31-D33 PolarHBondContact O-N 3.26Å; D33-T47 WeakPolarHBondContact O-CA 3.4Å; D33-L48 PolarHBondContact O-N 3.47Å; D33-L48 VanDerWaalsContact O-N 3.17Å
34T83.5Confident78.9Confident6 Ų642.6 Ų42.64%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-143.6136.3-162.1-59.90000111.3Y31 Q45 V46Y31-T34 WeakPolarHBondContact CA-O 2.94Å; Y31-T34 WeakPolarHBondContact CB-O 3.33Å; Y31-T34 PolarHBondContact N-O 2.88Å; T34-Q45 HydrophobicContact CG2-CB 4.45Å; T34-Q45 HydrophobicContact CG2-CG 3.18Å; T34-V46 CarbonylContact C-O 3.52Å; T34-V46 VanDerWaalsContact CA-O 3.32Å; T34-V46 WeakPolarHBondContact CA-O 3.15Å
35I86.7Confident79.9Confident0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-106.9124169.6-62.6167.9000107.5V15 I28 N29 V30 I37 V46 L48V15-I35 HydrophobicContact CB-CD1 4.36Å; V15-I35 HydrophobicContact CG1-CD1 3.8Å; V15-I35 HydrophobicContact CG1-CG2 4.44Å; V15-I35 HydrophobicContact CG2-CD1 3.56Å; I28-I35 HydrophobicContact CG2-CG2 3.65Å; N29-I35 CarbonylContact O-C 3.57Å; N29-I35 WeakPolarHBondContact O-CA 3.33Å; V30-I35 HydrophobicContact CG1-CG1 4.3Å; V30-I35 HydrophobicContact CG2-CG1 4.1Å; V30-I35 HydrophobicContact CG2-CG2 4.3Å; I35-I37 HydrophobicContact CG2-CG1 4.25Å; I35-V46 HydrophobicContact CB-CB 4.44Å; I35-V46 PolarHBondContact N-O 2.88Å; I35-V46 WeakPolarHBondContact O-CA 3.25Å; I35-V46 WeakPolarHBondContact O-CB 3.14Å; I35-V46 PolarHBondContact O-N 3.41Å; I35-L48 HydrophobicContact CD1-CD1 3.5Å; I35-L48 HydrophobicContact CD1-CD2 4.34Å; I35-L48 HydrophobicContact CD1-CG 4Å; I35-L48 HydrophobicContact CG1-CD1 4.31Å
36E86.8Confident80.8Confident30 Ų3038 Ų3814%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-104.2129.1173.5-174.8-17286.400110I28 N29 Y31 Q38 T43 H44I28-E36 CarbonylContact C-O 3.55Å; I28-E36 WeakPolarHBondContact CA-O 3.36Å; N29-E36 HydrophobicContact CB-CB 4.19Å; N29-E36 PolarHBondContact N-O 2.91Å; N29-E36 PolarHBondContact ND2-OE1 2.9Å; N29-E36 PolarHBondContact O-N 3.45Å; Y31-E36 HydrophobicContact CD2-CB 4.4Å; Y31-E36 HydrophobicContact CE2-CB 3.71Å; E36-Q38 HydrophobicContact CG-CG 4.14Å; E36-Q38 WeakPolarHBondContact OE1-CG 3.14Å; E36-Q38 PolarHBondContact OE1-NE2 2.88Å; E36-T43 HydrophobicContact CG-CG2 3.22Å; E36-H44 CarbonylContact C-O 3.39Å; E36-H44 VanDerWaalsContact CA-O 3.22Å; E36-H44 WeakPolarHBondContact CA-O 3.44Å
37I85.5Confident81.5Confident0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-111.8108.6174.6-50.5-171.3000107.7L2 Y17 Y27 I35 T43 H44 L302L2-I37 HydrophobicContact CB-CD1 4.46Å; L2-I37 HydrophobicContact CD1-CD1 3.87Å; L2-I37 HydrophobicContact CD2-CD1 4.29Å; L2-I37 HydrophobicContact CG-CD1 4.43Å; Y17-I37 HydrophobicContact CD1-CD1 4.36Å; Y17-I37 HydrophobicContact CD1-CG2 3.92Å; Y17-I37 HydrophobicContact CD2-CD1 3.47Å; Y17-I37 VanDerWaalsContact CD2-CD1 3.47Å; Y17-I37 HydrophobicContact CE1-CG2 3.71Å; Y17-I37 HydrophobicContact CE2-CD1 3.88Å; Y17-I37 HydrophobicContact CE2-CG2 4.38Å; Y17-I37 HydrophobicContact CG-CD1 3.76Å; Y17-I37 HydrophobicContact CG-CG2 4.35Å; Y27-I37 CarbonylContact O-C 3.58Å; Y27-I37 WeakPolarHBondContact O-CA 3.49Å; I35-I37 HydrophobicContact CG2-CG1 4.25Å; I37-T43 CarbonylContact O-C 3.52Å; I37-T43 WeakPolarHBondContact O-CA 3.45Å; I37-H44 HydrophobicContact CB-CB 4.33Å; I37-H44 PolarHBondContact N-O 2.82Å; I37-H44 PolarHBondContact O-N 3.18Å; I37-L302 HydrophobicContact CD1-CD1 3.44Å; I37-L302 VanDerWaalsContact CD1-CD1 3.44Å; I37-L302 HydrophobicContact CG1-CD1 4.36Å
38Q82.4Confident82Confident62 Ų6234.1 Ų34.129%0.2918%0.183SC..EExtended strand (participates in β ladder)trans-95.5121.2175.6-58.7-176.8-13.900109C26 Y27 N29 E36 T43C26-Q38 CarbonylContact C-O 3.55Å; C26-Q38 VanDerWaalsContact CA-O 3.25Å; C26-Q38 WeakPolarHBondContact CA-O 3.45Å; Y27-Q38 PolarHBondContact N-O 3.34Å; Y27-Q38 PolarHBondContact O-N 3.07Å; N29-Q38 PolarHBondContact ND2-NE2 3.14Å; E36-Q38 HydrophobicContact CG-CG 4.14Å; E36-Q38 WeakPolarHBondContact OE1-CG 3.14Å; E36-Q38 PolarHBondContact OE1-NE2 2.88Å; Q38-T43 HydrophobicContact CG-CG2 4.1Å
39N78.4Confident82.2Confident11 Ų1134.6 Ų34.66%0.05919%0.186CC..EExtended strand (participates in β ladder)trans-108176.3165.2-62.3-17.4000108.5E22 C26 N41 K42E22-N39 PolarHBondContact OE1-ND2 3.35Å; E22-N39 PolarHBondContact OE2-ND2 3.04Å; C26-N39 PolarHBondContact SG-OD1 3.21Å; N39-N41 PolarHBondContact O-N 2.99Å; N39-N41 VanDerWaalsContact O-N 3.09Å; N39-K42 PolarHBondContact N-O 2.79Å; N39-K42 PolarHBondContact O-N 3.07Å
40A73.5Confident82.3Confident62 Ų6234.7 Ų34.751%0.51220%0.195SC..THydrogen-bonded Turntrans-50.4-39.7-175.700000114.2
41N73.6Confident82.4Confident99 Ų9934.9 Ų34.953%0.52920%0.196SC..THydrogen-bonded Turntrans-1211.6-171.6-56.7-5.4000113.5N39 N323N39-N41 PolarHBondContact O-N 2.99Å; N39-N41 VanDerWaalsContact O-N 3.09Å; N41-N323 PolarHBondContact O-OD1 3.22Å
42K78Confident82.4Confident38 Ų3834.4 Ų34.417%0.16520%0.2CC..EExtended strand (participates in β ladder)trans-152.6149-167.6-63.1-178.3-177170.60112.1N39 Y305 N323N39-K42 PolarHBondContact N-O 2.79Å; N39-K42 PolarHBondContact O-N 3.07Å; K42-Y305 PolarHBondContact NZ-O 2.93Å; K42-N323 PolarHBondContact N-OD1 2.54Å
43T85.9Confident82.5Confident6 Ų632 Ų324%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-125.3124.8171.9-62.50000109.8E36 I37 Q38 T324 V325 H326E36-T43 HydrophobicContact CG-CG2 3.22Å; I37-T43 CarbonylContact O-C 3.52Å; I37-T43 WeakPolarHBondContact O-CA 3.45Å; Q38-T43 HydrophobicContact CG-CG2 4.1Å; T43-T324 PolarHBondContact N-O 2.8Å; T43-T324 VanDerWaalsContact N-O 3.17Å; T43-V325 CarbonylContact O-C 3.56Å; T43-V325 VanDerWaalsContact O-CA 3.31Å; T43-V325 WeakPolarHBondContact O-CA 3.45Å; T43-H326 PolarHBondContact O-N 3.22Å
44H87.8Confident82.4Confident4 Ų430.6 Ų30.62%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-99.6122.6170-66.693000109.3E36 I37 L302 H326E36-H44 CarbonylContact C-O 3.39Å; E36-H44 VanDerWaalsContact CA-O 3.22Å; E36-H44 WeakPolarHBondContact CA-O 3.44Å; I37-H44 HydrophobicContact CB-CB 4.33Å; I37-H44 PolarHBondContact N-O 2.82Å; I37-H44 PolarHBondContact O-N 3.18Å; H44-L302 HydrophobicContact CB-CD1 4Å; H44-L302 HydrophobicContact CB-CD2 4.36Å; H44-H326 CarbonylContact C-O 3.49Å; H44-H326 WeakPolarHBondContact CA-O 3.46Å
45Q89.4Confident81.2Confident68 Ų6834.7 Ų34.732%0.31821%0.208SC..EExtended strand (participates in β ladder)trans-101.3114.8172.8-169.8-176.721.300108.8T34 V325 H326 S327 V328T34-Q45 HydrophobicContact CG2-CB 4.45Å; T34-Q45 HydrophobicContact CG2-CG 3.18Å; Q45-V325 HydrophobicContact CB-CG1 4.08Å; Q45-H326 PolarHBondContact N-O 3.1Å; Q45-S327 CarbonylContact O-C 3.55Å; Q45-S327 WeakPolarHBondContact O-CA 3.15Å; Q45-S327 PolarHBondContact OE1-OG 2.76Å; Q45-V328 PolarHBondContact O-N 2.79Å
46V90.5Very high79.8Confident0 Ų040 Ų400%023%0.234CC..EExtended strand (participates in β ladder)trans-114.2109.5-174.2-177.60000110.2L2 T34 I35 L48 L302 V328 I330L2-V46 HydrophobicContact CD2-CB 3.96Å; L2-V46 HydrophobicContact CD2-CG1 3.75Å; L2-V46 HydrophobicContact CD2-CG2 3.79Å; T34-V46 CarbonylContact C-O 3.52Å; T34-V46 VanDerWaalsContact CA-O 3.32Å; T34-V46 WeakPolarHBondContact CA-O 3.15Å; I35-V46 HydrophobicContact CB-CB 4.44Å; I35-V46 PolarHBondContact N-O 2.88Å; I35-V46 WeakPolarHBondContact O-CA 3.25Å; I35-V46 WeakPolarHBondContact O-CB 3.14Å; I35-V46 PolarHBondContact O-N 3.41Å; V46-L48 HydrophobicContact CG1-CD2 4.05Å; V46-L302 HydrophobicContact CG2-CD2 3.9Å; V46-V328 CarbonylContact C-O 3.46Å; V46-V328 VanDerWaalsContact CA-O 3.3Å; V46-V328 WeakPolarHBondContact CA-O 3.49Å; V46-I330 HydrophobicContact CG1-CD1 3.27Å; V46-I330 HydrophobicContact CG1-CG1 3.81Å
47T89.6Confident78.1Confident41 Ų4144 Ų4425%0.25226%0.261SS..EExtended strand (participates in β ladder)trans-83.8125.1173-55.80000109.8D33 V328 I330D33-T47 WeakPolarHBondContact O-CA 3.4Å; T47-V328 PolarHBondContact N-O 2.8Å; T47-I330 PolarHBondContact O-N 2.7Å
48L87.6Confident76.7Confident3 Ų345.6 Ų45.62%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-97.1108.5175-56.6-175.4000109.8A4 L13 D33 I35 V46 L51 Y298 I330A4-L48 HydrophobicContact CB-CD1 3.96Å; A4-L48 HydrophobicContact CB-CD2 4.46Å; L13-L48 HydrophobicContact CD1-CD1 4.15Å; L13-L48 HydrophobicContact CD2-CD1 3.98Å; D33-L48 PolarHBondContact O-N 3.47Å; D33-L48 VanDerWaalsContact O-N 3.17Å; I35-L48 HydrophobicContact CD1-CD1 3.5Å; I35-L48 HydrophobicContact CD1-CD2 4.34Å; I35-L48 HydrophobicContact CD1-CG 4Å; I35-L48 HydrophobicContact CG1-CD1 4.31Å; V46-L48 HydrophobicContact CG1-CD2 4.05Å; L48-L51 HydrophobicContact CB-CB 4.31Å; L48-L51 HydrophobicContact CB-CD1 3.74Å; L48-L51 HydrophobicContact CD1-CD1 3.73Å; L48-L51 HydrophobicContact CG-CD1 4.42Å; L48-Y298 HydrophobicContact CB-CD1 4.17Å; L48-Y298 HydrophobicContact CB-CE1 4.01Å; L48-Y298 HydrophobicContact CD2-CD1 3.87Å; L48-Y298 HydrophobicContact CD2-CG 4Å; L48-I330 HydrophobicContact CD2-CD1 4.28Å
49N83.5Confident74.9Confident20 Ų2052.1 Ų52.111%0.10730%0.299CS..THydrogen-bonded Turntrans-67.1139.7-172.6-71.7-11.9000113.9L51 Y298 K329 I330 E331N49-L51 PolarHBondContact O-N 3.05Å; N49-Y298 PolarHBondContact O-OH 2.89Å; N49-K329 WeakPolarHBondContact ND2-CE 3.12Å; N49-K329 WeakPolarHBondContact OD1-CE 3.28Å; N49-K329 WeakPolarHBondContact OD1-CG 3.48Å; N49-I330 PolarHBondContact N-O 2.56Å; N49-E331 PolarHBondContact ND2-OE1 3.17Å; N49-E331 PolarHBondContact ND2-OE2 3.25Å
50G79.3Confident73.5Confident38 Ų3857.9 Ų57.939%0.39233%0.33SS..THydrogen-bonded Turntrans75.27.6175.400000114.6S78G50-S78 PolarHBondContact O-N 2.06Å; G50-S78 PolarHBondContact O-OG 3.08Å
51L79.7Confident72.6Confident14 Ų1457.6 Ų57.67%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-104.6139.8178.5-90.8169.9000111.6A6 L13 L48 N49 A75 Y77 Y298A6-L51 HydrophobicContact CB-CD1 4.19Å; A6-L51 HydrophobicContact CB-CD2 4.32Å; L13-L51 HydrophobicContact CD1-CD1 3.91Å; L48-L51 HydrophobicContact CB-CB 4.31Å; L48-L51 HydrophobicContact CB-CD1 3.74Å; L48-L51 HydrophobicContact CD1-CD1 3.73Å; L48-L51 HydrophobicContact CG-CD1 4.42Å; N49-L51 PolarHBondContact O-N 3.05Å; L51-A75 HydrophobicContact CD2-CB 3.79Å; L51-Y77 HydrophobicContact CD2-CD1 3.53Å; L51-Y77 HydrophobicContact CD2-CE1 3.2Å; L51-Y77 HydrophobicContact CD2-CG 4.44Å; L51-Y77 HydrophobicContact CG-CD1 4.07Å; L51-Y77 HydrophobicContact CG-CE1 3.92Å; L51-Y298 HydrophobicContact CD1-CD2 4.28Å; L51-Y298 HydrophobicContact CD1-CE1 4.22Å; L51-Y298 HydrophobicContact CD1-CE2 3.45Å; L51-Y298 VanDerWaalsContact CD1-CE2 3.45Å; L51-Y298 WeakPolarHBondContact CD1-OH 3.48Å; L51-Y298 HydrophobicContact CG-CE2 4.36Å; L51-Y298 WeakPolarHBondContact CG-OH 3.42Å
52N78.7Confident72.1Confident91 Ų9156.7 Ų56.749%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-120.2107.1165-174.1-5000108.5A75 S76N52-A75 WeakPolarHBondContact O-CA 3.21Å; N52-S76 PolarHBondContact N-O 2.69Å; N52-S76 PolarHBondContact O-N 3.4Å; N52-S76 PolarHBondContact O-OG 3.02Å
53I79.1Confident71.4Confident1 Ų159.5 Ų59.51%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-89.6129.3-178.3-51.6171.6000107.8L13 V30 Y31 S32 C55 F73 A75L13-I53 HydrophobicContact CD2-CD1 3.61Å; L13-I53 HydrophobicContact CD2-CG1 3.88Å; V30-I53 HydrophobicContact CG1-CD1 3.88Å; V30-I53 HydrophobicContact CG1-CG2 3.85Å; Y31-I53 WeakPolarHBondContact O-CD1 3.11Å; S32-I53 WeakPolarHBondContact CA-O 3.39Å; S32-I53 WeakPolarHBondContact O-CB 3.26Å; S32-I53 PolarHBondContact O-N 3.45Å; I53-C55 PolarHBondContact O-N 3.46Å; I53-C55 VanDerWaalsContact O-N 3.08Å; I53-F73 HydrophobicContact CG2-CB 4.08Å; I53-F73 HydrophobicContact CG2-CG 4.44Å; I53-A75 HydrophobicContact CG1-CB 4.39Å
54S71.5Confident70.4Confident49 Ų4961.9 Ų61.934%0.34335%0.351SS..  trans-64.9116.7171.262.30000108.4M56 N74S54-M56 PolarHBondContact O-N 3.34Å; S54-N74 PolarHBondContact N-O 2.78Å; S54-N74 VanDerWaalsContact N-O 3.09Å; S54-N74 PolarHBondContact OG-O 3.3Å; S54-N74 VanDerWaalsContact OG-O 3.13Å
55C56.9Low69.6Low92 Ų9265 Ų6562%0.62237%0.367SS*.  trans-56.596.1178.7-75.80000111.1S32 I53S32-C55 PolarHBondContact N-SG 3Å; I53-C55 PolarHBondContact O-N 3.46Å; I53-C55 VanDerWaalsContact O-N 3.08Å
56M58.6Low68.7Low110 Ų11067.6 Ų67.654%0.54238%0.383SS..  trans-132.1117.4164.4-72.7-163.3-7100107.2S54 C58S54-M56 PolarHBondContact O-N 3.34Å; M56-C58 PolarHBondContact O-N 3.25Å
57T51.4Low68Low115 Ų11569.9 Ų69.971%0.70640%0.399SS*.  trans-62.5104.2167.5-33.70000107.3K59T57-K59 PolarHBondContact O-N 2.85Å; T57-K59 VanDerWaalsContact O-N 3.08Å
58C54.6Low67.7Low33 Ų3368.3 Ų68.322%0.22339%0.39CS..  trans-73.5104.4177.2-1750000108.8M56 N60 F73M56-C58 PolarHBondContact O-N 3.25Å; C58-N60 PolarHBondContact O-N 2.95Å; C58-N60 PolarHBondContact SG-N 2.89Å; C58-N60 VanDerWaalsContact SG-N 3.36Å; C58-F73 HydrophobicContact CB-CD1 4.34Å; C58-F73 HydrophobicContact CB-CE1 3.4Å; C58-F73 HydrophobicContact CB-CZ 3.74Å
59K45.7Very low67.4Low199 Ų19968.9 Ų68.987%0.86539%0.393SS*.  trans-71.7-7.9166.9-71.1-175.1177.2-179.20112.7T57 L61T57-K59 PolarHBondContact O-N 2.85Å; T57-K59 VanDerWaalsContact O-N 3.08Å; K59-L61 PolarHBondContact O-N 2.56Å
60N47.6Very low67.5Low133 Ų13368.8 Ų68.871%0.71139%0.393SS*.  trans-97.655.5-178.4-62.4-18.9000111.1C58 C62C58-N60 PolarHBondContact O-N 2.95Å; C58-N60 PolarHBondContact SG-N 2.89Å; C58-N60 VanDerWaalsContact SG-N 3.36Å; N60-C62 VanDerWaalsContact C-N 3.34Å; N60-C62 PolarHBondContact O-N 3.01Å
61L55.5Low67.7Low55 Ų5567.4 Ų67.429%0.28838%0.378SS..  trans-63102.3161.2-79163000107.1I28 K59 L63 L69I28-L61 HydrophobicContact CB-CD2 3.97Å; I28-L61 HydrophobicContact CD1-CD2 3.93Å; I28-L61 HydrophobicContact CG1-CD2 4.12Å; K59-L61 PolarHBondContact O-N 2.56Å; L61-L63 PolarHBondContact O-N 2.7Å; L61-L69 HydrophobicContact CD2-CB 4.32Å
62C62.7Low67.9Low81 Ų8174.9 Ų74.955%0.54741%0.405SS..EExtended strand (participates in β ladder)trans-75.7113.5169.9-168.90000106.5N60 V64 S70N60-C62 VanDerWaalsContact C-N 3.34Å; N60-C62 PolarHBondContact O-N 3.01Å; C62-V64 PolarHBondContact O-N 3.04Å; C62-S70 PolarHBondContact N-O 3.17Å; C62-S70 PolarHBondContact O-N 2.99Å
63L62.8Low68.1Low97 Ų9771 Ų7151%0.50838%0.383SS..EExtended strand (participates in β ladder)trans-66.7103.5164.4-171.177.6000106.6L61 N65 L69L61-L63 PolarHBondContact O-N 2.7Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-N65 WeakPolarHBondContact CD1-O 3.3Å; L63-N65 WeakPolarHBondContact CG-O 3.22Å; L63-L69 HydrophobicContact CD1-CD2 3.69Å
64V64.8Low68.4Low56 Ų5675.5 Ų75.534%0.33941%0.408SS..EExtended strand (participates in β ladder)trans-70.5-38.4177.4-179.10000109.4C62 T68 H393C62-V64 PolarHBondContact O-N 3.04Å; V64-T68 HydrophobicContact CB-CG2 4.07Å; V64-T68 HydrophobicContact CG2-CG2 4.29Å; V64-T68 PolarHBondContact N-O 2.85Å; V64-H393 HydrophobicContact CG1-CB 3.87Å
65N71.8Confident68.8Low68 Ų6873.3 Ų73.336%0.36439%0.393SS..EExtended strand (participates in β ladder)trans-164.5178.517058.556.5000109.2L63 S67 T68L63-N65 VanDerWaalsContact C-N 3.32Å; L63-N65 WeakPolarHBondContact CD1-O 3.3Å; L63-N65 WeakPolarHBondContact CG-O 3.22Å; N65-S67 PolarHBondContact O-N 3.4Å; N65-S67 WeakPolarHBondContact OD1-CA 3.46Å; N65-S67 PolarHBondContact OD1-N 3.01Å; N65-S67 PolarHBondContact OD1-OG 3.26Å; N65-T68 PolarHBondContact N-O 3.39Å; N65-T68 PolarHBondContact O-N 3.3Å; N65-T68 VanDerWaalsContact O-N 3.08Å; N65-T68 WeakPolarHBondContact OD1-CB 3.49Å; N65-T68 PolarHBondContact OD1-N 2.8Å; N65-T68 PolarHBondContact OD1-OG1 2.64Å
66D69.5Low69.8Low124 Ų12471.4 Ų71.466%0.66338%0.381SS*.THydrogen-bonded Turntrans-51.8-22.5-178.1-62.7-11.1000115.2R19R19-D66 PolarHBondContact NE-O 2.91Å; R19-D66 PolarHBondContact NH2-O 3.37Å
67S77.3Confident70.5Confident47 Ų4768.1 Ų68.133%0.32936%0.362SS..THydrogen-bonded Turntrans-115.5-1.9-174.167.70000114.6C18 R19 N65C18-S67 WeakPolarHBondContact CA-O 3.48Å; R19-S67 WeakPolarHBondContact CG-O 3.34Å; R19-S67 PolarHBondContact N-O 2.97Å; N65-S67 PolarHBondContact O-N 3.4Å; N65-S67 WeakPolarHBondContact OD1-CA 3.46Å; N65-S67 PolarHBondContact OD1-N 3.01Å; N65-S67 PolarHBondContact OD1-OG 3.26Å
68T82.4Confident71.2Confident9 Ų965.5 Ų65.56%0.05535%0.349CS..EExtended strand (participates in β ladder)trans-137.2120.7-172-57.10000111.6T16 Y17 V64 N65T16-T68 HydrophobicContact CG2-CG2 3.56Å; Y17-T68 WeakPolarHBondContact O-CA 3.46Å; V64-T68 HydrophobicContact CB-CG2 4.07Å; V64-T68 HydrophobicContact CG2-CG2 4.29Å; V64-T68 PolarHBondContact N-O 2.85Å; N65-T68 PolarHBondContact N-O 3.39Å; N65-T68 PolarHBondContact O-N 3.3Å; N65-T68 VanDerWaalsContact O-N 3.08Å; N65-T68 WeakPolarHBondContact OD1-CB 3.49Å; N65-T68 PolarHBondContact OD1-N 2.8Å; N65-T68 PolarHBondContact OD1-OG1 2.64Å
69L82.4Confident71.2Confident15 Ų1569.1 Ų69.18%0.07937%0.374CS..EExtended strand (participates in β ladder)trans-105.1135.8171.2-65.6173000109T16 Y17 C26 I28 L61 L63T16-L69 CarbonylContact C-O 3.53Å; T16-L69 VanDerWaalsContact CA-O 3.32Å; T16-L69 WeakPolarHBondContact CA-O 3.46Å; Y17-L69 PolarHBondContact N-O 3.16Å; Y17-L69 PolarHBondContact O-N 3.37Å; C26-L69 HydrophobicContact CB-CD1 4.24Å; I28-L69 HydrophobicContact CD1-CB 3.74Å; I28-L69 HydrophobicContact CD1-CD1 4.25Å; I28-L69 HydrophobicContact CG1-CD1 4.26Å; L61-L69 HydrophobicContact CD2-CB 4.32Å; L63-L69 HydrophobicContact CD1-CD2 3.69Å
70S84.4Confident71.3Confident17 Ų1766 Ų6612%0.11936%0.363CS..EExtended strand (participates in β ladder)trans-139.2144177.9-166.80000111.5V15 T16 C62 H393V15-S70 CarbonylContact O-C 3.47Å; V15-S70 VanDerWaalsContact O-CA 3.28Å; V15-S70 WeakPolarHBondContact O-CA 3.09Å; V15-S70 PolarHBondContact O-OG 3.46Å; T16-S70 PolarHBondContact OG1-OG 2.91Å; C62-S70 PolarHBondContact N-O 3.17Å; C62-S70 PolarHBondContact O-N 2.99Å; S70-H393 PolarHBondContact OG-NE2 3.05Å
71C83.9Confident71.1Confident9 Ų965.1 Ų65.16%0.06136%0.362CS..EExtended strand (participates in β ladder)trans-152.1150.8178.447.10000111.3V15 F73V15-C71 PolarHBondContact N-O 2.98Å; V15-C71 PolarHBondContact O-N 2.84Å; C71-F73 HydrophobicContact CB-CE2 3.9Å; C71-F73 HydrophobicContact CB-CZ 3.98Å; C71-F73 WeakPolarHBondContact SG-CE2 3.24Å; C71-F73 VanDerWaalsContact SG-CZ 3.55Å
72R84.6Confident70.6Confident171 Ų17166 Ų6665%0.64537%0.367SS*.EExtended strand (participates in β ladder)trans-115.3135.4179.4-179.6172.3-72160.80.1110.3L13 D14L13-R72 CarbonylContact O-C 3.54Å; L13-R72 WeakPolarHBondContact O-CA 3.49Å; D14-R72 WeakPolarHBondContact OD1-CB 3.41Å; D14-R72 WeakPolarHBondContact OD1-CG 2.97Å; D14-R72 IonicContact OD1-CZ 3.57Å; D14-R72 IonicContact OD1-NE 2.75Å; D14-R72 PolarHBondContact OD1-NE 3.42Å; D14-R72 IonicContact OD1-NH2 2.84Å; D14-R72 PolarHBondContact OD1-NH2 2.84Å; D14-R72 IonicContact OD2-CZ 3.47Å; D14-R72 IonicContact OD2-NE 3.35Å; D14-R72 PolarHBondContact OD2-NE 3.39Å; D14-R72 IonicContact OD2-NH2 2.7Å; D14-R72 PolarHBondContact OD2-NH2 2.72Å
73F83.5Confident69.6Low9 Ų968.6 Ų68.64%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-125.5160.2177.3-55.2-89.3000111S12 L13 V15 V30 I53 C58 C71S12-F73 CarbonylContact C-O 3.56Å; S12-F73 WeakPolarHBondContact CA-O 3.22Å; L13-F73 HydrophobicContact CB-CB 4.35Å; L13-F73 PolarHBondContact N-O 3.09Å; L13-F73 PolarHBondContact O-N 2.92Å; V15-F73 HydrophobicContact CB-CE2 4.2Å; V15-F73 HydrophobicContact CG2-CD2 3.97Å; V15-F73 HydrophobicContact CG2-CE2 3.88Å; V30-F73 HydrophobicContact CB-CD1 4.29Å; V30-F73 HydrophobicContact CB-CE1 3.63Å; V30-F73 HydrophobicContact CB-CE2 4.16Å; V30-F73 HydrophobicContact CB-CZ 3.59Å; V30-F73 HydrophobicContact CG1-CD1 4.13Å; V30-F73 HydrophobicContact CG1-CD2 4.36Å; V30-F73 HydrophobicContact CG1-CE1 3.97Å; V30-F73 HydrophobicContact CG1-CE2 4.22Å; V30-F73 HydrophobicContact CG1-CG 4.33Å; V30-F73 HydrophobicContact CG1-CZ 4.05Å; V30-F73 HydrophobicContact CG2-CD2 4.45Å; V30-F73 HydrophobicContact CG2-CE1 3.82Å; V30-F73 HydrophobicContact CG2-CE2 3.56Å; V30-F73 HydrophobicContact CG2-CZ 3.19Å; I53-F73 HydrophobicContact CG2-CB 4.08Å; I53-F73 HydrophobicContact CG2-CG 4.44Å; C58-F73 HydrophobicContact CB-CD1 4.34Å; C58-F73 HydrophobicContact CB-CE1 3.4Å; C58-F73 HydrophobicContact CB-CZ 3.74Å; C71-F73 HydrophobicContact CB-CE2 3.9Å; C71-F73 HydrophobicContact CB-CZ 3.98Å; C71-F73 WeakPolarHBondContact SG-CE2 3.24Å; C71-F73 VanDerWaalsContact SG-CZ 3.55Å
74N83.6Confident68.7Low96 Ų9667.8 Ų67.851%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-82.5130.8162.1-67.5-20.9000108.5K11 S54K11-N74 CarbonylContact O-C 3.52Å; K11-N74 WeakPolarHBondContact O-CA 3.22Å; S54-N74 PolarHBondContact N-O 2.78Å; S54-N74 VanDerWaalsContact N-O 3.09Å; S54-N74 PolarHBondContact OG-O 3.3Å; S54-N74 VanDerWaalsContact OG-O 3.13Å
75A81.7Confident68Low4 Ų466.6 Ų66.63%0.03336%0.363CS..EExtended strand (participates in β ladder)trans-142.6146.1177.200000110.8K11 L13 L51 N52 I53K11-A75 CarbonylContact C-O 3.47Å; K11-A75 VanDerWaalsContact CA-O 3.22Å; K11-A75 WeakPolarHBondContact CA-O 3.45Å; K11-A75 WeakPolarHBondContact CB-O 3.24Å; K11-A75 PolarHBondContact O-N 2.82Å; L13-A75 HydrophobicContact CB-CB 3.67Å; L13-A75 HydrophobicContact CD2-CB 4.45Å; L51-A75 HydrophobicContact CD2-CB 3.79Å; N52-A75 WeakPolarHBondContact O-CA 3.21Å; I53-A75 HydrophobicContact CG1-CB 4.39Å
76S77.8Confident67Low52 Ų5269.3 Ų69.336%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-119.7153.617660.40000109.6N52N52-S76 PolarHBondContact N-O 2.69Å; N52-S76 PolarHBondContact O-N 3.4Å; N52-S76 PolarHBondContact O-OG 3.02Å
77Y72.7Confident66.5Low41 Ų4169 Ų6916%0.16137%0.369CS..EExtended strand (participates in β ladder)trans-108.8137.8179.7-49-88.5000108.9A6 V7 L51 S79A6-Y77 WeakPolarHBondContact CA-OH 3.37Å; A6-Y77 HydrophobicContact CB-CE1 3.47Å; A6-Y77 VanDerWaalsContact CB-CE1 3.47Å; A6-Y77 WeakPolarHBondContact CB-OH 3.44Å; A6-Y77 PolarHBondContact O-OH 3.48Å; V7-Y77 PolarHBondContact N-OH 3.43Å; V7-Y77 PolarHBondContact O-OH 3.1Å; L51-Y77 HydrophobicContact CD2-CD1 3.53Å; L51-Y77 HydrophobicContact CD2-CE1 3.2Å; L51-Y77 HydrophobicContact CD2-CG 4.44Å; L51-Y77 HydrophobicContact CG-CD1 4.07Å; L51-Y77 HydrophobicContact CG-CE1 3.92Å; Y77-S79 PolarHBondContact O-N 3.05Å
78S65.8Low65.7Low59 Ų5966.9 Ų66.941%0.41335%0.354SS..  trans-65.3119.4153.952.20000106.4G50 H80G50-S78 PolarHBondContact O-N 2.06Å; G50-S78 PolarHBondContact O-OG 3.08Å; S78-H80 PolarHBondContact O-N 3.31Å
79S54.7Low64.9Low109 Ų10969.9 Ų69.976%0.76238%0.375SS*.  trans-65.478.6174.557.40000109.5Y77 T81Y77-S79 PolarHBondContact O-N 3.05Å; S79-T81 PolarHBondContact O-N 2.83Å
80H48.9Very low64.6Low135 Ų13575.4 Ų75.463%0.62540%0.399SS*.  trans-76.5107.9154.3-71.5-55.5000105.6S78 N82S78-H80 PolarHBondContact O-N 3.31Å; H80-N82 VanDerWaalsContact C-N 3.28Å; H80-N82 PolarHBondContact O-N 2.83Å
81T42.1Very low64.6Low113 Ų11375.1 Ų75.169%0.69340%0.396SS*.  trans-54.5100.6158.242.90000105.8S79 D83S79-T81 PolarHBondContact O-N 2.83Å; T81-D83 VanDerWaalsContact C-N 3.29Å; T81-D83 PolarHBondContact O-N 2.69Å
82N44.4Very low64.6Low73 Ų7379.2 Ų79.239%0.3941%0.413SS..  trans-67.5102.3163.6-100.3-10.3000105.4H80 N84 H413H80-N82 VanDerWaalsContact C-N 3.28Å; H80-N82 PolarHBondContact O-N 2.83Å; N82-N84 PolarHBondContact O-N 2.79Å; N82-H413 PolarHBondContact O-CD2 2.82Å
83D41.8Very low64.6Low136 Ų13674.2 Ų74.273%0.72740%0.404SS*.  trans-69.172.4170.2-71.1-23.4000108.8T81 I85T81-D83 VanDerWaalsContact C-N 3.29Å; T81-D83 PolarHBondContact O-N 2.69Å; D83-I85 VanDerWaalsContact C-N 3.31Å; D83-I85 PolarHBondContact O-N 2.73Å
84N45.8Very low64.9Low81 Ų8175.7 Ų75.743%0.43341%0.412SS..  trans-91.146.8-177.3-99.12.4000112.6N82N82-N84 PolarHBondContact O-N 2.79Å
85I49.3Very low65.2Low31 Ų3171.2 Ų71.216%0.15939%0.388CS..  trans-13883.6157.5-71.3175.1000112D83 L88 I412 H413 L414 P415D83-I85 VanDerWaalsContact C-N 3.31Å; D83-I85 PolarHBondContact O-N 2.73Å; I85-L88 HydrophobicContact CD1-CD1 3.84Å; I85-L88 HydrophobicContact CG1-CD1 4.27Å; I85-L88 HydrophobicContact CG2-CB 3.91Å; I85-I412 HydrophobicContact CD1-CG2 4.1Å; I85-I412 HydrophobicContact CG1-CG2 4.28Å; I85-H413 VanDerWaalsContact CD1-C 3.43Å; I85-H413 WeakPolarHBondContact CD1-O 3.39Å; I85-H413 WeakPolarHBondContact CG1-O 3.14Å; I85-L414 HydrophobicContact CD1-CB 4.31Å; I85-L414 HydrophobicContact CD1-CD2 3.72Å; I85-L414 HydrophobicContact CD1-CG 4.39Å; I85-P415 HydrophobicContact CB-CG 4.24Å; I85-P415 VanDerWaalsContact CD1-CD 3.45Å; I85-P415 HydrophobicContact CD1-CG 4.24Å; I85-P415 HydrophobicContact CG2-CG 3.94Å
86I50.9Low65.5Low125 Ų12574.5 Ų74.564%0.64141%0.405SS*.SBendtrans-104.5-19.6151.3-62.2175.3000110.2S89I86-S89 PolarHBondContact O-OG 3.32Å
87K58.3Low66Low116 Ų11674.3 Ų74.350%0.50441%0.407SS..THydrogen-bonded Turntrans-80.4-43.7-172.4-75.2171.3167.6-176.20113.1S89 K90 D252 E255K87-S89 VanDerWaalsContact C-N 3.28Å; K87-S89 PolarHBondContact O-N 3.4Å; K87-K90 PolarHBondContact O-N 3.14Å; K87-D252 IonicContact NZ-OD2 3.17Å; K87-D252 PolarHBondContact NZ-OD2 3.42Å; K87-E255 VanDerWaalsContact CB-OE1 3.3Å; K87-E255 WeakPolarHBondContact CB-OE1 3.31Å; K87-E255 WeakPolarHBondContact CB-OE2 3.49Å; K87-E255 WeakPolarHBondContact CD-OE1 3.28Å; K87-E255 IonicContact NZ-OE1 2.63Å
88L61.9Low67Low3 Ų372.4 Ų72.42%0.01640%0.4CS..THydrogen-bonded Turntrans-67.4-24.9177.6-65.2178.4000113.4I85 K90 I91 F122 I412 L414I85-L88 HydrophobicContact CD1-CD1 3.84Å; I85-L88 HydrophobicContact CG1-CD1 4.27Å; I85-L88 HydrophobicContact CG2-CB 3.91Å; L88-K90 PolarHBondContact O-N 2.79Å; L88-I91 HydrophobicContact CD2-CD1 3.44Å; L88-I91 VanDerWaalsContact CD2-CD1 3.44Å; L88-I91 WeakPolarHBondContact O-CB 3.22Å; L88-I91 PolarHBondContact O-N 3.41Å; L88-I91 VanDerWaalsContact O-N 3.1Å; L88-F122 HydrophobicContact CB-CE1 4.15Å; L88-F122 HydrophobicContact CB-CE2 4.2Å; L88-F122 HydrophobicContact CB-CZ 3.62Å; L88-F122 HydrophobicContact CD1-CD1 4.22Å; L88-F122 HydrophobicContact CD1-CE1 3.94Å; L88-F122 HydrophobicContact CD1-CE2 4.39Å; L88-F122 HydrophobicContact CD1-CZ 4.04Å; L88-F122 HydrophobicContact CD2-CE1 4.31Å; L88-F122 HydrophobicContact CG-CE1 4.38Å; L88-F122 HydrophobicContact CG-CZ 4.3Å; L88-I412 HydrophobicContact CD1-CG2 4.36Å; L88-L414 HydrophobicContact CD1-CD2 4.3Å
89S65.6Low68.4Low72 Ų7270.4 Ų70.450%0.50338%0.384SS..Hα-helixtrans-65.3-28178.464.60000112.8I86 K87 I91I86-S89 PolarHBondContact O-OG 3.32Å; K87-S89 VanDerWaalsContact C-N 3.28Å; K87-S89 PolarHBondContact O-N 3.4Å; S89-I91 VanDerWaalsContact C-N 3.28Å; S89-I91 PolarHBondContact O-N 3.5Å
90K75.5Confident70.4Confident131 Ų13165.6 Ų65.657%0.5735%0.35SS*.Hα-helixtrans-73-17.7175.3-65.4-175.9179.3-178.20113.4K87 L88 K92 S93 N94K87-K90 PolarHBondContact O-N 3.14Å; L88-K90 PolarHBondContact O-N 2.79Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 3.18Å; K90-S93 PolarHBondContact O-N 3.33Å; K90-S93 PolarHBondContact O-OG 3.08Å; K90-N94 WeakPolarHBondContact O-CB 3.18Å; K90-N94 PolarHBondContact O-N 2.96Å; K90-N94 PolarHBondContact O-ND2 3.22Å
91I83.9Confident72.7Confident11 Ų1159.1 Ų59.16%0.05632%0.321CS..Hα-helixtrans-66.5-38.8179.7-60.7177.3000110.5L88 S89 S93 N94 L95 F175 L249 I250L88-I91 HydrophobicContact CD2-CD1 3.44Å; L88-I91 VanDerWaalsContact CD2-CD1 3.44Å; L88-I91 WeakPolarHBondContact O-CB 3.22Å; L88-I91 PolarHBondContact O-N 3.41Å; L88-I91 VanDerWaalsContact O-N 3.1Å; S89-I91 VanDerWaalsContact C-N 3.28Å; S89-I91 PolarHBondContact O-N 3.5Å; I91-S93 PolarHBondContact O-N 2.87Å; I91-N94 PolarHBondContact O-N 3.36Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.44Å; I91-L95 PolarHBondContact O-N 3.34Å; I91-F175 HydrophobicContact CB-CE1 4.04Å; I91-F175 HydrophobicContact CD1-CE1 3.83Å; I91-F175 HydrophobicContact CD1-CZ 3.92Å; I91-F175 HydrophobicContact CG2-CD1 3.87Å; I91-F175 HydrophobicContact CG2-CE1 3.35Å; I91-F175 HydrophobicContact CG2-CZ 3.75Å; I91-L249 HydrophobicContact CG2-CD1 3.65Å; I91-I250 HydrophobicContact CD1-CG1 4.38Å
92K83.6Confident75.4Confident96 Ų9654.1 Ų54.142%0.41729%0.29SS..Hα-helixtrans-59.2-48.7177.5-159.2174.9177178.50112K90 N94 L95 N96 I120K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 3.18Å; K92-N94 VanDerWaalsContact C-N 3.31Å; K92-N94 PolarHBondContact O-N 2.88Å; K92-L95 PolarHBondContact O-N 2.82Å; K92-N96 WeakPolarHBondContact O-CB 3.49Å; K92-N96 PolarHBondContact O-N 2.76Å; K92-I120 HydrophobicContact CB-CD1 3.4Å; K92-I120 VanDerWaalsContact CB-CD1 3.4Å; K92-I120 HydrophobicContact CB-CG1 4.34Å; K92-I120 HydrophobicContact CD-CD1 4.23Å; K92-I120 HydrophobicContact CD-CG1 4.44Å; K92-I120 HydrophobicContact CG-CD1 3.78Å; K92-I120 HydrophobicContact CG-CG1 4.17Å
93S84.1Confident77.9Confident66 Ų6650.7 Ų50.746%0.46227%0.271SS..Hα-helixtrans-63.9-39.2179.351.20000111.4K90 I91 A97K90-S93 PolarHBondContact O-N 3.33Å; K90-S93 PolarHBondContact O-OG 3.08Å; I91-S93 PolarHBondContact O-N 2.87Å; S93-A97 WeakPolarHBondContact O-CB 3.26Å; S93-A97 PolarHBondContact O-N 3.28Å
94N89.7Confident80.6Confident39 Ų3946.4 Ų46.421%0.20925%0.246CC..Hα-helixtrans-67-43178.1-69.5-13.4000112K90 I91 K92 A97 A98 L230 I232K90-N94 WeakPolarHBondContact O-CB 3.18Å; K90-N94 PolarHBondContact O-N 2.96Å; K90-N94 PolarHBondContact O-ND2 3.22Å; I91-N94 PolarHBondContact O-N 3.36Å; K92-N94 VanDerWaalsContact C-N 3.31Å; K92-N94 PolarHBondContact O-N 2.88Å; N94-A97 PolarHBondContact O-N 2.89Å; N94-A98 WeakPolarHBondContact O-CB 3.34Å; N94-A98 PolarHBondContact O-N 2.96Å; N94-L230 HydrophobicContact CB-CD1 3.9Å; N94-I232 HydrophobicContact CB-CD1 4.04Å
95L90.7Very high82.9Confident2 Ų246.2 Ų46.21%0.0124%0.242CC..Hα-helixtrans-61.9-47.3176.2-80.6166.5000111.5I91 K92 A97 A98 I113 C118 F175 L180 L230 L249I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.44Å; I91-L95 PolarHBondContact O-N 3.34Å; K92-L95 PolarHBondContact O-N 2.82Å; L95-A97 PolarHBondContact O-N 3.01Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-I113 HydrophobicContact CD2-CD1 4.25Å; L95-C118 HydrophobicContact CB-CB 4.13Å; L95-C118 HydrophobicContact CD1-CB 4.09Å; L95-F175 HydrophobicContact CD1-CB 3.93Å; L95-F175 HydrophobicContact CD1-CD1 4.15Å; L95-F175 HydrophobicContact CD1-CD2 4.47Å; L95-F175 HydrophobicContact CD1-CG 3.93Å; L95-L180 HydrophobicContact CD2-CD1 4.32Å; L95-L180 HydrophobicContact CD2-CD2 4.35Å; L95-L230 HydrophobicContact CD2-CD1 4.19Å; L95-L230 HydrophobicContact CD2-CD2 3.98Å; L95-L230 HydrophobicContact CG-CD1 4.32Å; L95-L249 HydrophobicContact CD1-CD1 4.11Å; L95-L249 HydrophobicContact CD2-CD1 3.69Å; L95-L249 HydrophobicContact CG-CD1 3.77Å
96N88.2Confident85.2Confident73 Ų7347.1 Ų47.139%0.3925%0.25SC..Hα-helixtrans-68.4-24-180-71.2-7.3000113.2K92 C118K92-N96 WeakPolarHBondContact O-CB 3.49Å; K92-N96 PolarHBondContact O-N 2.76Å; N96-C118 PolarHBondContact OD1-N 2.9Å
97A88.9Confident87.3Confident49 Ų4944.4 Ų44.441%0.40523%0.234SC..Hα-helixtrans-92-6.5176.600000113.4S93 N94 L95 I232S93-A97 WeakPolarHBondContact O-CB 3.26Å; S93-A97 PolarHBondContact O-N 3.28Å; N94-A97 PolarHBondContact O-N 2.89Å; L95-A97 PolarHBondContact O-N 3.01Å; A97-I232 HydrophobicContact CB-CG2 4.18Å
98A93.9Very high89.2Confident1 Ų142 Ų421%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-81.7139-176.500000111.5N94 L95 I113 L230 L231 I232N94-A98 WeakPolarHBondContact O-CB 3.34Å; N94-A98 PolarHBondContact O-N 2.96Å; L95-A98 PolarHBondContact O-N 2.95Å; A98-I113 HydrophobicContact CB-CD1 3.79Å; A98-I113 HydrophobicContact CB-CG1 4.24Å; A98-L230 HydrophobicContact CB-CB 3.97Å; A98-L230 HydrophobicContact CB-CD1 4.24Å; A98-L230 HydrophobicContact CB-CD2 4.11Å; A98-L230 HydrophobicContact CB-CG 4.34Å; A98-L231 WeakPolarHBondContact CA-O 3.24Å; A98-I232 HydrophobicContact CB-CG1 3.97Å
99D94.9Very high90.9Very high17 Ų1745.1 Ų45.19%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-86.4-32.6171.5-79.9-0.2000110.5N112 I113 Q114 L231 Y244D99-N112 PolarHBondContact O-OD1 2.85Å; D99-I113 PolarHBondContact O-N 3.31Å; D99-I113 VanDerWaalsContact O-N 3.07Å; D99-Q114 VanDerWaalsContact CG-NE2 3.33Å; D99-Q114 PolarHBondContact O-N 3.32Å; D99-Q114 PolarHBondContact OD1-NE2 3.28Å; D99-Q114 PolarHBondContact OD2-NE2 3.02Å; D99-L231 PolarHBondContact N-O 2.91Å; D99-Y244 HydrophobicContact CB-CE1 4.34Å; D99-Y244 WeakPolarHBondContact OD2-CE1 3.28Å; D99-Y244 PolarHBondContact OD2-OH 2.72Å
100S96.7Very high92.4Very high7 Ų741.7 Ų41.75%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-150.3152.4-172.7-62.30000113.3K109 G111 L230 L231S100-K109 WeakPolarHBondContact OG-CE 3.3Å; S100-G111 CarbonylContact C-O 3.53Å; S100-G111 VanDerWaalsContact CA-O 3.26Å; S100-G111 WeakPolarHBondContact CA-O 3.48Å; S100-G111 WeakPolarHBondContact CB-O 3.47Å; S100-L230 WeakPolarHBondContact O-CA 3.5Å; S100-L231 PolarHBondContact N-O 3.4Å; S100-L231 PolarHBondContact O-N 2.92Å
101I97.1Very high93.4Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-94.9131.3169.3-59.8165.3000108L110 G111 I113 L180 I182 L228 L230I101-L110 HydrophobicContact CG2-CB 4.3Å; I101-L110 HydrophobicContact CG2-CD1 4.35Å; I101-L110 PolarHBondContact O-N 3.36Å; I101-G111 PolarHBondContact N-O 3.44Å; I101-G111 PolarHBondContact O-N 2.82Å; I101-I113 HydrophobicContact CD1-CD1 4.21Å; I101-I113 HydrophobicContact CD1-CG2 3.53Å; I101-I113 HydrophobicContact CG1-CD1 3.67Å; I101-I113 HydrophobicContact CG1-CG1 4.03Å; I101-I113 HydrophobicContact CG1-CG2 3.94Å; I101-L180 HydrophobicContact CD1-CD2 3.55Å; I101-L180 HydrophobicContact CG1-CD2 4.27Å; I101-I182 HydrophobicContact CD1-CD1 4.01Å; I101-I182 HydrophobicContact CD1-CG2 4.24Å; I101-L228 HydrophobicContact CG2-CB 4.3Å; I101-L228 HydrophobicContact CG2-CD1 3.85Å; I101-L228 HydrophobicContact CG2-CD2 3.68Å; I101-L228 HydrophobicContact CG2-CG 4.15Å; I101-L230 HydrophobicContact CG1-CD2 4.36Å
102L98.1Very high93.9Very high8 Ų838 Ų384%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-117151178.9-51.4-177.7000110.7K104 Q108 K109 L228 S229 L231 E246L102-K104 PolarHBondContact O-N 2.82Å; L102-Q108 CarbonylContact C-O 3.55Å; L102-Q108 WeakPolarHBondContact CA-O 3.4Å; L102-K109 HydrophobicContact CD2-CB 4.07Å; L102-K109 HydrophobicContact CD2-CG 4.37Å; L102-L228 WeakPolarHBondContact O-CA 3.33Å; L102-S229 PolarHBondContact N-O 2.79Å; L102-S229 PolarHBondContact O-N 2.87Å; L102-L231 HydrophobicContact CD1-CB 4.05Å; L102-L231 HydrophobicContact CD1-CD1 4.25Å; L102-L231 HydrophobicContact CD2-CB 4.38Å; L102-L231 HydrophobicContact CG-CB 4.2Å; L102-E246 HydrophobicContact CD1-CG 3.96Å
103C98.1Very high94.4Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-67.6119.4164.8177.60000109F105 C106 Q107 Q108 L110 C205C103-F105 PolarHBondContact O-N 2.83Å; C103-F105 VanDerWaalsContact O-N 3.08Å; C103-C106 PolarHBondContact O-N 2.96Å; C103-C106 VanDerWaalsContact SG-SG 3.61Å; C103-Q107 WeakPolarHBondContact O-CA 2.85Å; C103-Q107 PolarHBondContact O-N 3.07Å; C103-Q108 HydrophobicContact CB-CB 4.18Å; C103-Q108 PolarHBondContact N-O 2.85Å; C103-L110 HydrophobicContact CB-CD1 4Å; C103-L110 HydrophobicContact CB-CD2 4.26Å; C103-L110 HydrophobicContact CB-CG 4.18Å; C103-C205 VanDerWaalsContact SG-SG 3.68Å
104K96.7Very high94.8Very high47 Ų4735.8 Ų35.820%0.20419%0.185CC..THydrogen-bonded Turntrans-58.1-26.3179.1179.9179.3169.9-179.40113.4L102 Q107 N226 C227 E253L102-K104 PolarHBondContact O-N 2.82Å; K104-Q107 PolarHBondContact O-NE2 3.19Å; K104-N226 WeakPolarHBondContact CD-O 3.41Å; K104-N226 PolarHBondContact NZ-O 2.88Å; K104-N226 VanDerWaalsContact NZ-O 3.14Å; K104-C227 WeakPolarHBondContact CB-O 3.36Å; K104-C227 PolarHBondContact N-O 3.36Å; K104-E253 IonicContact NZ-OE1 2.56Å; K104-E253 PolarHBondContact NZ-OE1 2.74Å
105F95.5Very high94.8Very high77 Ų7737.2 Ų37.234%0.33821%0.209SC..THydrogen-bonded Turntrans-85.9-31.3-172.4-50.3-63.3000113.9C103 M207 C227 E374C103-F105 PolarHBondContact O-N 2.83Å; C103-F105 VanDerWaalsContact O-N 3.08Å; F105-M207 HydrophobicContact CB-CG 4.22Å; F105-M207 HydrophobicContact CD2-CB 3.5Å; F105-M207 HydrophobicContact CD2-CG 3.75Å; F105-M207 HydrophobicContact CE2-CB 3.83Å; F105-M207 HydrophobicContact CE2-CG 4.34Å; F105-M207 HydrophobicContact CG-CB 4.31Å; F105-M207 HydrophobicContact CG-CG 4.05Å; F105-C227 HydrophobicContact CE2-CB 3.9Å; F105-C227 HydrophobicContact CZ-CB 4.17Å; F105-E374 HydrophobicContact CD1-CG 4.36Å; F105-E374 HydrophobicContact CE1-CB 3.86Å; F105-E374 HydrophobicContact CE1-CG 3.69Å; F105-E374 HydrophobicContact CZ-CB 3.79Å; F105-E374 HydrophobicContact CZ-CG 3.83Å
106C96.6Very high94.8Very high49 Ų4937.6 Ų37.633%0.33121%0.212SC..THydrogen-bonded Turntrans-1385.1-175.568.10000114.4C103 Q108 C202 C205C103-C106 PolarHBondContact O-N 2.96Å; C103-C106 VanDerWaalsContact SG-SG 3.61Å; C106-Q108 PolarHBondContact O-N 3.11Å; C106-Q108 VanDerWaalsContact SG-CB 3.57Å; C106-C202 PolarHBondContact SG-SG 2.86Å; C106-C205 HydrophobicContact CB-CB 3.94Å
107Q96.2Very high94.8Very high68 Ų6838.3 Ų38.332%0.31822%0.219SC..  trans58.214.2-178.5-50.4-53.1-25.500115.4C103 K104 K109 E246C103-Q107 WeakPolarHBondContact O-CA 2.85Å; C103-Q107 PolarHBondContact O-N 3.07Å; K104-Q107 PolarHBondContact O-NE2 3.19Å; Q107-K109 PolarHBondContact O-N 3.45Å; Q107-E246 VanDerWaalsContact CD-OE2 3.27Å; Q107-E246 PolarHBondContact OE1-OE2 2.93Å
108Q97Very high94.6Very high65 Ų6536 Ų3630%0.30420%0.2SC..  trans-56.8127.9170.6-179.56738.700109.5L102 C103 C106 L110 S204L102-Q108 CarbonylContact C-O 3.55Å; L102-Q108 WeakPolarHBondContact CA-O 3.4Å; C103-Q108 HydrophobicContact CB-CB 4.18Å; C103-Q108 PolarHBondContact N-O 2.85Å; C106-Q108 PolarHBondContact O-N 3.11Å; C106-Q108 VanDerWaalsContact SG-CB 3.57Å; Q108-L110 PolarHBondContact O-N 3.08Å; Q108-S204 VanDerWaalsContact CD-OG 3.3Å; Q108-S204 PolarHBondContact OE1-OG 2.8Å
109K97.7Very high94.2Very high70 Ų7038.1 Ų38.130%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-64.7122.7171.8-175177.9175-174.80110.1S100 L102 Q107 E188 S191S100-K109 WeakPolarHBondContact OG-CE 3.3Å; L102-K109 HydrophobicContact CD2-CB 4.07Å; L102-K109 HydrophobicContact CD2-CG 4.37Å; Q107-K109 PolarHBondContact O-N 3.45Å; K109-E188 HydrophobicContact CD-CG 4.46Å; K109-E188 WeakPolarHBondContact CD-OE2 3.34Å; K109-E188 WeakPolarHBondContact CE-OE2 3.42Å; K109-E188 HydrophobicContact CG-CB 4.44Å; K109-E188 HydrophobicContact CG-CG 4.33Å; K109-E188 IonicContact NZ-OE2 3.26Å; K109-E188 PolarHBondContact NZ-OE2 2.8Å; K109-S191 WeakPolarHBondContact O-CB 3.04Å
110L97.7Very high93.4Very high0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-103.4-29-177.8-61.4175.8000112.5I101 C103 Q108 V187 E188 S191 I192 L209 F223 L228I101-L110 HydrophobicContact CG2-CB 4.3Å; I101-L110 HydrophobicContact CG2-CD1 4.35Å; I101-L110 PolarHBondContact O-N 3.36Å; C103-L110 HydrophobicContact CB-CD1 4Å; C103-L110 HydrophobicContact CB-CD2 4.26Å; C103-L110 HydrophobicContact CB-CG 4.18Å; Q108-L110 PolarHBondContact O-N 3.08Å; L110-V187 WeakPolarHBondContact O-CA 3.37Å; L110-E188 PolarHBondContact O-N 3.26Å; L110-S191 PolarHBondContact O-OG 3.15Å; L110-I192 HydrophobicContact CD2-CG2 4.13Å; L110-L209 HydrophobicContact CD1-CD1 3.6Å; L110-L209 HydrophobicContact CD1-CD2 4.25Å; L110-L209 HydrophobicContact CD2-CD1 3.5Å; L110-L209 HydrophobicContact CG-CD1 4.2Å; L110-F223 HydrophobicContact CB-CE1 4.29Å; L110-F223 HydrophobicContact CD1-CD1 4.38Å; L110-F223 HydrophobicContact CD1-CE1 4.05Å; L110-L228 HydrophobicContact CD1-CD2 3.76Å
111G95.6Very high92.4Very high0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-167.5161.717900000113.5S100 I101 L186S100-G111 CarbonylContact C-O 3.53Å; S100-G111 VanDerWaalsContact CA-O 3.26Å; S100-G111 WeakPolarHBondContact CA-O 3.48Å; S100-G111 WeakPolarHBondContact CB-O 3.47Å; I101-G111 PolarHBondContact N-O 3.44Å; I101-G111 PolarHBondContact O-N 2.82Å; G111-L186 CarbonylContact C-O 3.34Å; G111-L186 WeakPolarHBondContact CA-O 3.38Å
112N94.8Very high91.2Very high64 Ų6441 Ų4134%0.34223%0.228SC..EExtended strand (participates in β ladder)trans-103.1125.7172.5-172.8-16.6000108.4D99 Q114 L186D99-N112 PolarHBondContact O-OD1 2.85Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.44Å; N112-Q114 PolarHBondContact OD1-N 2.8Å; N112-L186 PolarHBondContact N-O 2.74Å; N112-L186 WeakPolarHBondContact O-CD2 3.37Å
113I93.6Very high89.4Confident3 Ų344.8 Ų44.82%0.01525%0.245CC..  trans-126.416.9178.557.5165.9000112.3L95 A98 D99 I101 G115 V116 L230L95-I113 HydrophobicContact CD2-CD1 4.25Å; A98-I113 HydrophobicContact CB-CD1 3.79Å; A98-I113 HydrophobicContact CB-CG1 4.24Å; D99-I113 PolarHBondContact O-N 3.31Å; D99-I113 VanDerWaalsContact O-N 3.07Å; I101-I113 HydrophobicContact CD1-CD1 4.21Å; I101-I113 HydrophobicContact CD1-CG2 3.53Å; I101-I113 HydrophobicContact CG1-CD1 3.67Å; I101-I113 HydrophobicContact CG1-CG1 4.03Å; I101-I113 HydrophobicContact CG1-CG2 3.94Å; I113-G115 PolarHBondContact O-N 2.8Å; I113-G115 VanDerWaalsContact O-N 3.16Å; I113-V116 HydrophobicContact CB-CB 4.15Å; I113-V116 HydrophobicContact CB-CG2 4.24Å; I113-V116 WeakPolarHBondContact O-CB 3.33Å; I113-V116 PolarHBondContact O-N 2.63Å; I113-L230 HydrophobicContact CD1-CD2 4.13Å
114Q93.2Very high87.5Confident113 Ų11348 Ų4853%0.52826%0.259SS..THydrogen-bonded Turntrans-59121177-173.2171.452.700110.5D99 N112 V116D99-Q114 VanDerWaalsContact CG-NE2 3.33Å; D99-Q114 PolarHBondContact O-N 3.32Å; D99-Q114 PolarHBondContact OD1-NE2 3.28Å; D99-Q114 PolarHBondContact OD2-NE2 3.02Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.44Å; N112-Q114 PolarHBondContact OD1-N 2.8Å; Q114-V116 PolarHBondContact O-N 3.14Å
115G89.3Confident85.6Confident69 Ų6946 Ų4671%0.71125%0.25SS*.THydrogen-bonded Turntrans75.74.4-178.500000115I113I113-G115 PolarHBondContact O-N 2.8Å; I113-G115 VanDerWaalsContact O-N 3.16Å
116V90.1Very high83.7Confident10 Ų1042.7 Ų42.76%0.06124%0.236CC..PPolyproline II helixtrans-78.6127.8174.3176.40000109.2I113 Q114 C173 L186I113-V116 HydrophobicContact CB-CB 4.15Å; I113-V116 HydrophobicContact CB-CG2 4.24Å; I113-V116 WeakPolarHBondContact O-CB 3.33Å; I113-V116 PolarHBondContact O-N 2.63Å; Q114-V116 PolarHBondContact O-N 3.14Å; V116-C173 HydrophobicContact CG1-CB 4.05Å; V116-L186 HydrophobicContact CG1-CD1 4.18Å; V116-L186 HydrophobicContact CG2-CD1 3.91Å; V116-L186 HydrophobicContact CG2-CD2 3.83Å
117T88.5Confident81.4Confident88 Ų8841.6 Ų41.654%0.5423%0.228SC..EExtended strand (participates in β ladder)trans-84.9123.2178.2-60.80000110.4S171 S172 C173T117-S171 PolarHBondContact N-O 2.98Å; T117-S172 CarbonylContact O-C 3.5Å; T117-S172 VanDerWaalsContact O-CA 3.25Å; T117-S172 WeakPolarHBondContact O-CA 3.2Å; T117-C173 PolarHBondContact O-N 3.33Å
118C86.4Confident79Confident1 Ų141.5 Ų41.51%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-97.2124.8177.1-130.50000113.9L95 N96 C173L95-C118 HydrophobicContact CB-CB 4.13Å; L95-C118 HydrophobicContact CD1-CB 4.09Å; N96-C118 PolarHBondContact OD1-N 2.9Å; C118-C173 WeakPolarHBondContact CA-O 3.45Å; C118-C173 WeakPolarHBondContact CA-SG 3.32Å; C118-C173 HydrophobicContact CB-CB 4.46Å; C118-C173 WeakPolarHBondContact CB-SG 3.33Å; C118-C173 VanDerWaalsContact SG-C 3.58Å; C118-C173 WeakPolarHBondContact SG-CB 3.45Å; C118-C173 CovalentContact SG-SG 2.06Å; C118-C173 PolarHBondContact SG-SG 3.47Å
119T84.1Confident76.1Confident44 Ų4443.8 Ų43.827%0.2724%0.24SC..EExtended strand (participates in β ladder)trans-84.9137.4167.5-58.30000109.4L167 C173 L174 F175T119-L167 HydrophobicContact CG2-CD1 4.16Å; T119-C173 PolarHBondContact N-O 2.96Å; T119-L174 HydrophobicContact CG2-CD1 4.25Å; T119-F175 PolarHBondContact O-N 2.95Å
120I79.2Confident73Confident32 Ų3245 Ų4516%0.16425%0.25CC..EExtended strand (participates in β ladder)trans-110129177.5-62.5-166.3000109.9K92 F122 F175K92-I120 HydrophobicContact CB-CD1 3.4Å; K92-I120 VanDerWaalsContact CB-CD1 3.4Å; K92-I120 HydrophobicContact CB-CG1 4.34Å; K92-I120 HydrophobicContact CD-CD1 4.23Å; K92-I120 HydrophobicContact CD-CG1 4.44Å; K92-I120 HydrophobicContact CG-CD1 3.78Å; K92-I120 HydrophobicContact CG-CG1 4.17Å; I120-F122 HydrophobicContact CD1-CZ 4.41Å; I120-F122 HydrophobicContact CG2-CD1 4.01Å; I120-F122 HydrophobicContact CG2-CD2 3.81Å; I120-F122 HydrophobicContact CG2-CE1 3.56Å; I120-F122 HydrophobicContact CG2-CE2 3.35Å; I120-F122 HydrophobicContact CG2-CG 4.12Å; I120-F122 HydrophobicContact CG2-CZ 3.2Å; I120-F175 CarbonylContact C-O 3.39Å; I120-F175 VanDerWaalsContact CA-O 3.31Å; I120-F175 WeakPolarHBondContact CA-O 3.24Å; I120-F175 HydrophobicContact CD1-CD1 4.12Å; I120-F175 HydrophobicContact CG1-CB 4.44Å; I120-F175 HydrophobicContact CG1-CD1 4.14Å; I120-F175 HydrophobicContact CG2-CD1 4.39Å
121S76Confident69.9Low25 Ų2552.5 Ų52.518%0.17529%0.285CS..  trans-144.584177.8176.60000111.3Q123 K124 F175 T176S121-Q123 PolarHBondContact O-N 3.43Å; S121-K124 PolarHBondContact O-N 2.96Å; S121-K124 VanDerWaalsContact OG-CD 3.24Å; S121-K124 WeakPolarHBondContact OG-CD 3.49Å; S121-K124 WeakPolarHBondContact OG-CE 3.45Å; S121-K124 WeakPolarHBondContact OG-CG 3.36Å; S121-F175 PolarHBondContact N-O 3.3Å; S121-T176 WeakPolarHBondContact O-CA 3.43Å
122F71.2Confident66.6Low29 Ų2955.4 Ų55.413%0.12732%0.315CS..THydrogen-bonded Turntrans-66.1-10.9-173-61.6-60.2000116.8L88 I120 F175 T176 L259 N263 L414L88-F122 HydrophobicContact CB-CE1 4.15Å; L88-F122 HydrophobicContact CB-CE2 4.2Å; L88-F122 HydrophobicContact CB-CZ 3.62Å; L88-F122 HydrophobicContact CD1-CD1 4.22Å; L88-F122 HydrophobicContact CD1-CE1 3.94Å; L88-F122 HydrophobicContact CD1-CE2 4.39Å; L88-F122 HydrophobicContact CD1-CZ 4.04Å; L88-F122 HydrophobicContact CD2-CE1 4.31Å; L88-F122 HydrophobicContact CG-CE1 4.38Å; L88-F122 HydrophobicContact CG-CZ 4.3Å; I120-F122 HydrophobicContact CD1-CZ 4.41Å; I120-F122 HydrophobicContact CG2-CD1 4.01Å; I120-F122 HydrophobicContact CG2-CD2 3.81Å; I120-F122 HydrophobicContact CG2-CE1 3.56Å; I120-F122 HydrophobicContact CG2-CE2 3.35Å; I120-F122 HydrophobicContact CG2-CG 4.12Å; I120-F122 HydrophobicContact CG2-CZ 3.2Å; F122-F175 HydrophobicContact CE1-CD1 4.27Å; F122-F175 AromaticContact CE1-CE1 3.88Å; F122-F175 HydrophobicContact CE1-CE1 3.88Å; F122-T176 VanDerWaalsContact CA-O 3.32Å; F122-T176 WeakPolarHBondContact CA-O 3.36Å; F122-L259 HydrophobicContact CB-CD1 4.47Å; F122-L259 HydrophobicContact CD1-CD2 4.2Å; F122-N263 PolarHBondContact O-ND2 2.78Å; F122-N263 VanDerWaalsContact O-ND2 3.12Å; F122-N263 PolarHBondContact O-OD1 3.15Å; F122-L414 HydrophobicContact CB-CD1 3.94Å; F122-L414 HydrophobicContact CB-CD2 3.39Å; F122-L414 HydrophobicContact CB-CG 4.34Å; F122-L414 HydrophobicContact CD2-CD2 3.78Å; F122-L414 HydrophobicContact CG-CD2 3.69Å
123Q59.6Low63.5Low86 Ų8657.4 Ų57.440%0.40233%0.325SS..THydrogen-bonded Turntrans-93.50.3-174.2-60179.83.500113.5S121 N263 L414 D417S121-Q123 PolarHBondContact O-N 3.43Å; Q123-N263 PolarHBondContact O-OD1 2.69Å; Q123-L414 HydrophobicContact CG-CD1 4.27Å; Q123-D417 PolarHBondContact NE2-OD1 3.36Å
124K58.7Low60.2Low68 Ų6862.4 Ų62.430%0.29636%0.359SS..  trans-114.8122.2-170.6-62.7-176.6-172.6-179.70110.2S121 V163 T176S121-K124 PolarHBondContact O-N 2.96Å; S121-K124 VanDerWaalsContact OG-CD 3.24Å; S121-K124 WeakPolarHBondContact OG-CD 3.49Å; S121-K124 WeakPolarHBondContact OG-CE 3.45Å; S121-K124 WeakPolarHBondContact OG-CG 3.36Å; K124-V163 HydrophobicContact CD-CG1 4.23Å; K124-V163 HydrophobicContact CD-CG2 4.42Å; K124-T176 HydrophobicContact CB-CG2 4.3Å; K124-T176 WeakPolarHBondContact O-CB 3.28Å; K124-T176 WeakPolarHBondContact O-CG2 3.2Å; K124-T176 PolarHBondContact O-OG1 2.92Å
125F57.9Low57.3Low4 Ų462.9 Ų62.92%0.01836%0.364CS..  trans-75.8136154.6-109.8-83.1000107.7T127 F161 L178 W224 L260 N263 L264F125-T127 HydrophobicContact CB-CG2 4Å; F125-T127 HydrophobicContact CD1-CG2 3.68Å; F125-T127 HydrophobicContact CE1-CG2 4.47Å; F125-T127 HydrophobicContact CG-CG2 4.12Å; F125-T127 PolarHBondContact O-N 3.19Å; F125-T127 VanDerWaalsContact O-N 3.07Å; F125-F161 HydrophobicContact CB-CD2 4.17Å; F125-F161 HydrophobicContact CB-CE2 3.58Å; F125-F161 HydrophobicContact CB-CZ 4.36Å; F125-F161 WeakPolarHBondContact O-CD2 3.15Å; F125-L178 HydrophobicContact CD2-CD1 4.22Å; F125-L178 HydrophobicContact CE1-CD1 4.44Å; F125-L178 HydrophobicContact CE2-CD1 3.65Å; F125-L178 HydrophobicContact CZ-CD1 3.8Å; F125-W224 HydrophobicContact CE1-CH2 4.13Å; F125-L260 HydrophobicContact CE2-CD1 4.14Å; F125-L260 HydrophobicContact CZ-CD1 3.58Å; F125-N263 HydrophobicContact CD2-CB 3.81Å; F125-N263 HydrophobicContact CE2-CB 3.79Å; F125-L264 HydrophobicContact CE2-CD2 4.01Å; F125-L264 HydrophobicContact CZ-CD2 4.34Å
126I54.7Low54.4Low8 Ų868.7 Ų68.74%0.04137%0.372CS..  trans-85.465.2165.7-47.9-177.9000106.1L174 T176 E179 M181 K211 V222I126-L174 HydrophobicContact CD1-CD2 4.15Å; I126-T176 HydrophobicContact CD1-CG2 3.91Å; I126-T176 HydrophobicContact CG1-CG2 3.74Å; I126-E179 WeakPolarHBondContact CA-OE2 3.19Å; I126-E179 WeakPolarHBondContact CB-OE2 3.05Å; I126-E179 HydrophobicContact CD1-CB 4.19Å; I126-E179 HydrophobicContact CG1-CB 4.39Å; I126-E179 PolarHBondContact N-OE2 2.95Å; I126-M181 HydrophobicContact CD1-CB 3.56Å; I126-M181 HydrophobicContact CD1-CG 4.39Å; I126-M181 HydrophobicContact CD1-SD 4.04Å; I126-M181 HydrophobicContact CG2-SD 4.31Å; I126-K211 WeakPolarHBondContact O-CE 3.41Å; I126-K211 PolarHBondContact O-NZ 3.06Å; I126-V222 HydrophobicContact CB-CG1 4.19Å; I126-V222 HydrophobicContact CD1-CG1 4.27Å; I126-V222 HydrophobicContact CG2-CG1 4.39Å; I126-V222 HydrophobicContact CG2-CG2 3.98Å
127T48.1Very low51.6Low26 Ų2671.6 Ų71.616%0.1640%0.404CS..PPolyproline II helixtrans-90.4144.5175.935.20000111.6F125 T158 F161F125-T127 HydrophobicContact CB-CG2 4Å; F125-T127 HydrophobicContact CD1-CG2 3.68Å; F125-T127 HydrophobicContact CE1-CG2 4.47Å; F125-T127 HydrophobicContact CG-CG2 4.12Å; F125-T127 PolarHBondContact O-N 3.19Å; F125-T127 VanDerWaalsContact O-N 3.07Å; T127-T158 VanDerWaalsContact CB-OG1 3.24Å; T127-T158 WeakPolarHBondContact CB-OG1 3.44Å; T127-T158 HydrophobicContact CG2-CG2 3.75Å; T127-F161 WeakPolarHBondContact OG1-CE2 3.16Å
128L46.6Very low48.7Very low66 Ų6670 Ų7035%0.34641%0.406SS..PPolyproline II helixtrans-57.5142-168-65.5155.9000112.9K211 V213L128-K211 HydrophobicContact CD2-CD 4.49Å; L128-V213 HydrophobicContact CD2-CG2 4.33Å
129E34.4Very low46.2Very low114 Ų11480.1 Ų80.153%0.53345%0.445SS..PPolyproline II helix-90.9138.1130-77-177.5145.200107.6E131 T160E129-E131 HydrophobicContact CB-CG 3.92Å; E129-E131 HydrophobicContact CG-CG 4.43Å; E129-E131 VanDerWaalsContact OE2-CG 3.27Å; E129-E131 WeakPolarHBondContact OE2-CG 3.28Å; E129-T160 VanDerWaalsContact CD-CG2 3.45Å; E129-T160 HydrophobicContact CG-CG2 3.11Å; E129-T160 WeakPolarHBondContact OE1-CG2 3.12Å
130D32.6Very low43.7Very low95 Ų9587.1 Ų87.151%0.50847%0.472SS..  trans-95.589.3144.9-159.9-2.4000105G132 L133D130-G132 PolarHBondContact O-N 3.5Å; D130-G132 PolarHBondContact OD1-N 2.85Å; D130-L133 PolarHBondContact O-N 3.25Å
131E33.3Very low41.8Very low157 Ų15790.9 Ų90.973%0.73450%0.5SS*.THydrogen-bonded Turntrans-61-4.4173.3-76.8-167.8138.300111.5E129E129-E131 HydrophobicContact CB-CG 3.92Å; E129-E131 HydrophobicContact CG-CG 4.43Å; E129-E131 VanDerWaalsContact OE2-CG 3.27Å; E129-E131 WeakPolarHBondContact OE2-CG 3.28Å
132G26.3Very low39.7Very low61 Ų6197 Ų9763%0.62953%0.526SS*.THydrogen-bonded Turntrans-90.2-18.8177.100000115.9D130 C134D130-G132 PolarHBondContact O-N 3.5Å; D130-G132 PolarHBondContact OD1-N 2.85Å; G132-C134 PolarHBondContact O-N 3.38Å
133L29.3Very low38Very low106 Ų106101.8 Ų101.856%0.55556%0.56SS**  trans-91.385.6173.5-77.8166.6000108.5D130 I135D130-L133 PolarHBondContact O-N 3.25Å; L133-I135 PolarHBondContact O-N 2.84Å
134C25.3Very low36.8Very low109 Ų109104 Ų10474%0.73658%0.579SS**  trans-44.398.3150.8-66.50000108G132 E136G132-C134 PolarHBondContact O-N 3.38Å; C134-E136 PolarHBondContact O-N 2.87Å
135I30.7Very low35.7Very low122 Ų122106.9 Ų106.963%0.62660%0.603SS**  trans-71.967.4161.7-55.1170.2000105.6L133 G137L133-I135 PolarHBondContact O-N 2.84Å; I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 2.95Å
136E29Very low34.6Very low191 Ų191116.5 Ų116.589%0.89364%0.644SS**  trans-72.397.3149.9-79.6-166.3157.400106C134C134-E136 PolarHBondContact O-N 2.87Å
137G31Very low33.7Very low71 Ų71120.5 Ų120.573%0.73267%0.673SS**  trans12375167.100000114.5I135I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 2.95Å
138G27.3Very low33Very low56 Ų56126.3 Ų126.358%0.57771%0.708SS**  trans-1538.2170.800000115.3
139Y34Very low32.4Very low213 Ų213126.2 Ų126.284%0.83572%0.724SS**SBendtrans-107.6138.6156.2-66.3-84.4000106.5
140F33.1Very low32.3Very low191 Ų191127 Ų12784%0.83873%0.732SS**  trans110.9118.6169.6-64.4-79.1000118.2H142F140-H142 PolarHBondContact O-N 3.12Å
141C39.5Very low32.3Very low111 Ų111131.6 Ų131.675%0.7575%0.747SS**SBendtrans-75.532.3-177.436.10000114.7
142H30.8Very low32.1Very low154 Ų154127.9 Ų127.971%0.71374%0.744SS**SBendtrans-126.2117.5172.3-69-41.9000111.3F140 T144F140-H142 PolarHBondContact O-N 3.12Å; H142-T144 PolarHBondContact O-N 3.21Å
143P36.3Very low32.5Very low128 Ų128130.8 Ų130.883%0.83175%0.749SS**  trans-72.7109.4-172.727.5-31.8000110.7T145P143-T145 PolarHBondContact O-N 3.44Å
144T34.8Very low32.7Very low133 Ų133129.9 Ų129.982%0.81675%0.745SS**  trans-78.8106163.9320000109.4H142H142-T144 PolarHBondContact O-N 3.21Å
145T34.1Very low33.1Very low129 Ų129127.5 Ų127.579%0.79173%0.729SS**  trans42.6112.5149.237.20000119.4P143 S147P143-T145 PolarHBondContact O-N 3.44Å; T145-S147 PolarHBondContact O-N 2.75Å
146K35Very low33.2Very low205 Ų205123.6 Ų123.689%0.89171%0.711SS**  trans-31.499.5165-62.4174.9177.1178.90114
147S35.6Very low33.5Very low93 Ų93118.2 Ų118.265%0.6569%0.689SS**  trans-78.6129151.253.10000108.5T145T145-S147 PolarHBondContact O-N 2.75Å
148V33.5Very low33.8Very low147 Ų147115.7 Ų115.789%0.89166%0.659SS**SBendtrans-91114.4175.3174.20000106.3
149G34.6Very low34.1Very low65 Ų65119.2 Ų119.267%0.6766%0.66SS**SBendtrans116.3-5.6160.900000117.9F151G149-F151 PolarHBondContact O-N 2.97Å
150D31.4Very low34.2Very low131 Ų131112.7 Ų112.770%0.70164%0.643SS**  trans-89.3114.2173.7-64.9-34.5000109.3A152D150-A152 PolarHBondContact O-N 3.43Å
151F32.7Very low34.6Very low190 Ų190106 Ų10683%0.83361%0.613SS**  trans-50.7112.6156.4-69.1-87.3000105.4G149 T153G149-F151 PolarHBondContact O-N 2.97Å; F151-T153 PolarHBondContact O-N 3.36Å
152A30.6Very low34.6Very low80 Ų80106.5 Ų106.566%0.66162%0.615SS**  trans-59.294.5173.200000107.1D150 N154D150-A152 PolarHBondContact O-N 3.43Å; A152-N154 PolarHBondContact O-N 2.74Å
153T33.3Very low35.2Very low121 Ų12199.9 Ų99.974%0.74259%0.586SS**  trans-72.964.1162.149.70000106.3F151 S155F151-T153 PolarHBondContact O-N 3.36Å; T153-S155 PolarHBondContact O-N 3.12Å
154N33.3Very low35.7Very low88 Ų8898.4 Ų98.447%0.47157%0.571SS.*  trans-72.767.1156.7-70.9-3.6000105.7A152 V156A152-N154 PolarHBondContact O-N 2.74Å; N154-V156 PolarHBondContact O-N 3.07Å
155S35.3Very low36.6Very low58 Ų5892.8 Ų92.841%0.40654%0.536SS..  trans-64.493.2154.649.10000104.2T153 N157T153-S155 PolarHBondContact O-N 3.12Å; S155-N157 VanDerWaalsContact C-N 3.31Å; S155-N157 PolarHBondContact O-N 3.46Å
156V33Very low37.3Very low40 Ų4093.2 Ų93.224%0.24253%0.534CS..  trans-59.1104.4173.3174.60000105.9N154 T158 V366N154-V156 PolarHBondContact O-N 3.07Å; V156-T158 PolarHBondContact O-N 2.81Å; V156-T158 VanDerWaalsContact O-N 3.11Å; V156-V366 WeakPolarHBondContact CB-O 3.49Å; V156-V366 WeakPolarHBondContact CG1-O 3.3Å
157N34.5Very low38.3Very low79 Ų7987 Ų8742%0.42251%0.509SS..  trans-46.5115.7177.3-79.9-18.4000109S155 Q159S155-N157 VanDerWaalsContact C-N 3.31Å; S155-N157 PolarHBondContact O-N 3.46Å; N157-Q159 PolarHBondContact O-N 3.26Å
158T37.1Very low39.5Very low18 Ų1882.7 Ų82.711%0.1148%0.48CS..  trans-52.2120.8157.440.80000107.1T127 V156 T160 T367T127-T158 VanDerWaalsContact CB-OG1 3.24Å; T127-T158 WeakPolarHBondContact CB-OG1 3.44Å; T127-T158 HydrophobicContact CG2-CG2 3.75Å; V156-T158 PolarHBondContact O-N 2.81Å; V156-T158 VanDerWaalsContact O-N 3.11Å; T158-T160 PolarHBondContact O-N 2.98Å; T158-T367 HydrophobicContact CG2-CG2 3.7Å
159Q33.1Very low41.3Very low129 Ų12977.6 Ų77.660%0.60345%0.451SS*.  trans-45.1135.9175.5-69.4175.8-5.500110.5N157 F161N157-Q159 PolarHBondContact O-N 3.26Å; Q159-F161 PolarHBondContact O-N 3.05Å
160T36.2Very low43.4Very low77 Ų7778.1 Ų78.147%0.47244%0.442SS..  trans-53.4123.5171.123.10000111E129 T158E129-T160 VanDerWaalsContact CD-CG2 3.45Å; E129-T160 HydrophobicContact CG-CG2 3.11Å; E129-T160 WeakPolarHBondContact OE1-CG2 3.12Å; T158-T160 PolarHBondContact O-N 2.98Å
161F42.2Very low45.9Very low49 Ų4975.6 Ų75.622%0.21544%0.435CS..  trans-84.1127.4149.8-61.3-80.5000105.8F125 T127 Q159 V163 N267F125-F161 HydrophobicContact CB-CD2 4.17Å; F125-F161 HydrophobicContact CB-CE2 3.58Å; F125-F161 HydrophobicContact CB-CZ 4.36Å; F125-F161 WeakPolarHBondContact O-CD2 3.15Å; T127-F161 WeakPolarHBondContact OG1-CE2 3.16Å; Q159-F161 PolarHBondContact O-N 3.05Å; F161-V163 HydrophobicContact CB-CG2 3.78Å; F161-V163 PolarHBondContact O-N 3.22Å; F161-N267 WeakPolarHBondContact CE1-OD1 3.49Å; F161-N267 HydrophobicContact CZ-CB 4.14Å; F161-N267 VanDerWaalsContact CZ-ND2 3.25Å; F161-N267 WeakPolarHBondContact CZ-ND2 3.23Å; F161-N267 WeakPolarHBondContact CZ-OD1 3.44Å
162P38.4Very low48.4Very low122 Ų12267.3 Ų67.379%0.79240%0.401SS*.  trans-64.383.615428.1-30.2000106.1N164P162-N164 VanDerWaalsContact C-N 3.33Å; P162-N164 PolarHBondContact O-N 2.72Å; P162-N164 VanDerWaalsContact O-N 3.11Å
163V45.1Very low51.2Low15 Ų1563.6 Ų63.69%0.09137%0.37CS..  trans-73.1103.3161.3-166.90000103.3K124 F161 L165 L174K124-V163 HydrophobicContact CD-CG1 4.23Å; K124-V163 HydrophobicContact CD-CG2 4.42Å; F161-V163 HydrophobicContact CB-CG2 3.78Å; F161-V163 PolarHBondContact O-N 3.22Å; V163-L165 HydrophobicContact CB-CD1 4.18Å; V163-L165 HydrophobicContact CB-CD2 4.36Å; V163-L165 HydrophobicContact CB-CG 3.79Å; V163-L165 HydrophobicContact CG1-CD1 4.34Å; V163-L165 HydrophobicContact CG1-CD2 3.61Å; V163-L165 HydrophobicContact CG1-CG 3.52Å; V163-L165 PolarHBondContact O-N 2.97Å; V163-L174 HydrophobicContact CG1-CD2 4.03Å
164N46.3Very low53.7Low98 Ų9858.1 Ų58.152%0.52434%0.336SS..  trans-63.297.7162-170.1-0.3000106.4P162 D166P162-N164 VanDerWaalsContact C-N 3.33Å; P162-N164 PolarHBondContact O-N 2.72Å; P162-N164 VanDerWaalsContact O-N 3.11Å; N164-D166 VanDerWaalsContact C-N 3.25Å; N164-D166 PolarHBondContact ND2-OD2 3.03Å; N164-D166 PolarHBondContact O-N 3.26Å; N164-D166 VanDerWaalsContact OD1-CG 3.26Å; N164-D166 PolarHBondContact OD1-OD2 3.26Å
165L52.6Low56.3Low15 Ų1553.9 Ų53.98%0.07931%0.313CS..  trans-91.731.6-173.3-84.2165.2000111.7V163 L167 L174 M181 Y215V163-L165 HydrophobicContact CB-CD1 4.18Å; V163-L165 HydrophobicContact CB-CD2 4.36Å; V163-L165 HydrophobicContact CB-CG 3.79Å; V163-L165 HydrophobicContact CG1-CD1 4.34Å; V163-L165 HydrophobicContact CG1-CD2 3.61Å; V163-L165 HydrophobicContact CG1-CG 3.52Å; V163-L165 PolarHBondContact O-N 2.97Å; L165-L167 PolarHBondContact O-N 2.85Å; L165-L174 HydrophobicContact CD2-CD2 4.01Å; L165-M181 HydrophobicContact CD1-CE 3.87Å; L165-M181 HydrophobicContact CD1-SD 4.35Å; L165-M181 HydrophobicContact CD2-CE 3.66Å; L165-M181 HydrophobicContact CD2-SD 3.45Å; L165-M181 WeakPolarHBondContact CD2-SD 3.1Å; L165-M181 HydrophobicContact CG-CE 4.34Å; L165-Y215 HydrophobicContact CB-CD1 3.92Å; L165-Y215 HydrophobicContact CB-CD2 4.34Å; L165-Y215 HydrophobicContact CB-CE1 3.64Å; L165-Y215 HydrophobicContact CB-CE2 4.1Å; L165-Y215 HydrophobicContact CB-CG 4.25Å; L165-Y215 HydrophobicContact CD1-CD1 4.32Å; L165-Y215 HydrophobicContact CD1-CD2 3.61Å; L165-Y215 HydrophobicContact CD1-CE2 3.95Å; L165-Y215 HydrophobicContact CD1-CG 3.81Å
166D50.6Low58.6Low138 Ų13851.1 Ų51.174%0.73829%0.294SS*.THydrogen-bonded Turntrans-58.89.3167.7-74.1-25.8000113.7N164N164-D166 VanDerWaalsContact C-N 3.25Å; N164-D166 PolarHBondContact ND2-OD2 3.03Å; N164-D166 PolarHBondContact O-N 3.26Å; N164-D166 VanDerWaalsContact OD1-CG 3.26Å; N164-D166 PolarHBondContact OD1-OD2 3.26Å
167L55.5Low61Low73 Ų7349.3 Ų49.338%0.38228%0.283SS..THydrogen-bonded Turntrans-123.9-3.1-165.5-74.5164.5000115.4T119 L165 S172T119-L167 HydrophobicContact CG2-CD1 4.16Å; L165-L167 PolarHBondContact O-N 2.85Å; L167-S172 WeakPolarHBondContact O-CB 3.35Å; L167-S172 PolarHBondContact O-OG 3Å
168A59.6Low63.6Low4 Ų445.5 Ų45.53%0.03326%0.263CS..  trans-104.792.7175.100000108.7M181 Y220A168-M181 HydrophobicContact CB-CE 3.92Å; A168-M181 HydrophobicContact CB-CG 4.48Å; A168-M181 HydrophobicContact CB-SD 4.41Å; A168-Y220 HydrophobicContact CB-CD1 3.7Å; A168-Y220 HydrophobicContact CB-CE1 3.2Å; A168-Y220 WeakPolarHBondContact O-CE1 3.2Å; A168-Y220 VanDerWaalsContact O-CZ 3.31Å; A168-Y220 PolarHBondContact O-OH 2.92Å
169S71.6Confident66.1Low40 Ų4044.7 Ų44.728%0.2826%0.258SS..SBendtrans-122.9169.2174720000107.8S171 S172S169-S171 PolarHBondContact O-N 3.26Å; S169-S171 PolarHBondContact OG-N 3.38Å; S169-S171 PolarHBondContact OG-OG 3.38Å; S169-S172 PolarHBondContact N-OG 3.08Å; S169-S172 PolarHBondContact O-N 2.89Å; S169-S172 PolarHBondContact OG-OG 3.06Å
170P79.6Confident68.9Low76 Ų7638.6 Ų38.649%0.49423%0.229SC..THydrogen-bonded Turntrans-55-16.8174.7-27.535.7000114.4L186P170-L186 WeakPolarHBondContact O-CD2 3.08Å
171S83.3Confident71.4Confident78 Ų7834.9 Ų34.955%0.54521%0.207SC..THydrogen-bonded Turntrans-100.81.2175.958.80000114.5T117 S169T117-S171 PolarHBondContact N-O 2.98Å; S169-S171 PolarHBondContact O-N 3.26Å; S169-S171 PolarHBondContact OG-N 3.38Å; S169-S171 PolarHBondContact OG-OG 3.38Å
172S85.4Confident73.8Confident16 Ų1632.6 Ų32.611%0.11220%0.196CC..EExtended strand (participates in β ladder)trans-144.5143.1-173.757.90000114.6T117 L167 S169T117-S172 CarbonylContact O-C 3.5Å; T117-S172 VanDerWaalsContact O-CA 3.25Å; T117-S172 WeakPolarHBondContact O-CA 3.2Å; L167-S172 WeakPolarHBondContact O-CB 3.35Å; L167-S172 PolarHBondContact O-OG 3Å; S169-S172 PolarHBondContact N-OG 3.08Å; S169-S172 PolarHBondContact O-N 2.89Å; S169-S172 PolarHBondContact OG-OG 3.06Å
173C88.3Confident76.2Confident2 Ų227.7 Ų27.71%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-122.4159.1173.159.80000112.6V116 T117 C118 T119 L180 M181 I182V116-C173 HydrophobicContact CG1-CB 4.05Å; T117-C173 PolarHBondContact O-N 3.33Å; C118-C173 WeakPolarHBondContact CA-O 3.45Å; C118-C173 WeakPolarHBondContact CA-SG 3.32Å; C118-C173 HydrophobicContact CB-CB 4.46Å; C118-C173 WeakPolarHBondContact CB-SG 3.33Å; C118-C173 VanDerWaalsContact SG-C 3.58Å; C118-C173 WeakPolarHBondContact SG-CB 3.45Å; C118-C173 CovalentContact SG-SG 2.06Å; C118-C173 PolarHBondContact SG-SG 3.47Å; T119-C173 PolarHBondContact N-O 2.96Å; C173-L180 HydrophobicContact CB-CD1 4.21Å; C173-M181 WeakPolarHBondContact CA-O 3.37Å; C173-M181 WeakPolarHBondContact CB-O 3.46Å; C173-I182 HydrophobicContact CB-CG2 3.9Å
174L86.8Confident78.4Confident5 Ų534.2 Ų34.23%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-117.5123.8173.5177.165.8000110T119 I126 V163 L165 T176 L180 M181T119-L174 HydrophobicContact CG2-CD1 4.25Å; I126-L174 HydrophobicContact CD1-CD2 4.15Å; V163-L174 HydrophobicContact CG1-CD2 4.03Å; L165-L174 HydrophobicContact CD2-CD2 4.01Å; L174-T176 HydrophobicContact CG-CG2 4.34Å; L174-L180 WeakPolarHBondContact O-CA 3.29Å; L174-M181 HydrophobicContact CB-CB 4.31Å; L174-M181 PolarHBondContact N-O 3.26Å; L174-M181 VanDerWaalsContact N-O 3.08Å; L174-M181 PolarHBondContact O-N 2.96Å
175F87.7Confident80.6Confident0 Ų033.2 Ų33.20%019%0.187CC..EExtended strand (participates in β ladder)trans-114.6122.7175.3178.2-116.9000110.7I91 L95 T119 I120 S121 F122 E179 L180 A225 L249I91-F175 HydrophobicContact CB-CE1 4.04Å; I91-F175 HydrophobicContact CD1-CE1 3.83Å; I91-F175 HydrophobicContact CD1-CZ 3.92Å; I91-F175 HydrophobicContact CG2-CD1 3.87Å; I91-F175 HydrophobicContact CG2-CE1 3.35Å; I91-F175 HydrophobicContact CG2-CZ 3.75Å; L95-F175 HydrophobicContact CD1-CB 3.93Å; L95-F175 HydrophobicContact CD1-CD1 4.15Å; L95-F175 HydrophobicContact CD1-CD2 4.47Å; L95-F175 HydrophobicContact CD1-CG 3.93Å; T119-F175 PolarHBondContact O-N 2.95Å; I120-F175 CarbonylContact C-O 3.39Å; I120-F175 VanDerWaalsContact CA-O 3.31Å; I120-F175 WeakPolarHBondContact CA-O 3.24Å; I120-F175 HydrophobicContact CD1-CD1 4.12Å; I120-F175 HydrophobicContact CG1-CB 4.44Å; I120-F175 HydrophobicContact CG1-CD1 4.14Å; I120-F175 HydrophobicContact CG2-CD1 4.39Å; S121-F175 PolarHBondContact N-O 3.3Å; F122-F175 HydrophobicContact CE1-CD1 4.27Å; F122-F175 AromaticContact CE1-CE1 3.88Å; F122-F175 HydrophobicContact CE1-CE1 3.88Å; F175-E179 WeakPolarHBondContact CA-O 3.39Å; F175-E179 WeakPolarHBondContact CD2-O 3.3Å; F175-L180 HydrophobicContact CB-CD1 4.11Å; F175-L180 HydrophobicContact CD2-CB 4.36Å; F175-L180 HydrophobicContact CD2-CD1 4.37Å; F175-A225 HydrophobicContact CE2-CB 3.65Å; F175-A225 HydrophobicContact CZ-CB 4.43Å; F175-L249 HydrophobicContact CD2-CD2 4.35Å; F175-L249 HydrophobicContact CE2-CD2 3.89Å; F175-L249 HydrophobicContact CE2-CG 4.26Å
176T83.5Confident82.6Confident0 Ų033.5 Ų33.50%019%0.189CC..  trans-101.74.5-178.668.20000113.5S121 F122 K124 I126 L174 L178 E179S121-T176 WeakPolarHBondContact O-CA 3.43Å; F122-T176 VanDerWaalsContact CA-O 3.32Å; F122-T176 WeakPolarHBondContact CA-O 3.36Å; K124-T176 HydrophobicContact CB-CG2 4.3Å; K124-T176 WeakPolarHBondContact O-CB 3.28Å; K124-T176 WeakPolarHBondContact O-CG2 3.2Å; K124-T176 PolarHBondContact O-OG1 2.92Å; I126-T176 HydrophobicContact CD1-CG2 3.91Å; I126-T176 HydrophobicContact CG1-CG2 3.74Å; L174-T176 HydrophobicContact CG-CG2 4.34Å; T176-L178 PolarHBondContact O-N 3.45Å; T176-L178 PolarHBondContact OG1-N 3.49Å; T176-E179 PolarHBondContact N-O 2.93Å; T176-E179 PolarHBondContact OG1-N 2.72Å; T176-E179 PolarHBondContact OG1-O 2.99Å
177G84.7Confident84.7Confident1 Ų128 Ų281%0.0116%0.16CC..SBendtrans81.4-27-16900000113.8I250G177-I250 WeakPolarHBondContact O-CD1 3.48Å
178L87.4Confident86.6Confident0 Ų027.6 Ų27.60%016%0.156CC..SBendtrans-106.9-37.1174.8-60.8175.9000111.9F125 T176 A225 F256 L259 L260 N263F125-L178 HydrophobicContact CD2-CD1 4.22Å; F125-L178 HydrophobicContact CE1-CD1 4.44Å; F125-L178 HydrophobicContact CE2-CD1 3.65Å; F125-L178 HydrophobicContact CZ-CD1 3.8Å; T176-L178 PolarHBondContact O-N 3.45Å; T176-L178 PolarHBondContact OG1-N 3.49Å; L178-A225 VanDerWaalsContact O-CB 3.26Å; L178-A225 WeakPolarHBondContact O-CB 3.5Å; L178-A225 PolarHBondContact O-N 3.15Å; L178-F256 HydrophobicContact CB-CE2 4.27Å; L178-F256 HydrophobicContact CD2-CD2 3.73Å; L178-F256 HydrophobicContact CD2-CE2 3.65Å; L178-F256 HydrophobicContact CD2-CG 4.34Å; L178-F256 HydrophobicContact CD2-CZ 4.11Å; L178-F256 WeakPolarHBondContact CD2-O 3.44Å; L178-L259 HydrophobicContact CD2-CB 4.14Å; L178-L259 HydrophobicContact CD2-CD2 4.22Å; L178-L259 HydrophobicContact CD2-CG 4.14Å; L178-L259 HydrophobicContact CG-CD2 4.16Å; L178-L259 HydrophobicContact CG-CG 4.18Å; L178-L260 HydrophobicContact CD1-CB 4.46Å; L178-L260 HydrophobicContact CD1-CD1 4.16Å; L178-L260 HydrophobicContact CD2-CB 3.94Å; L178-N263 HydrophobicContact CD1-CB 4.17Å
179E90Very high88.3Confident1 Ų132.2 Ų32.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-126.7147.6-175.4-68.6168.2128.300110.7I126 F175 T176 K211 V222 F223 W224I126-E179 WeakPolarHBondContact CA-OE2 3.19Å; I126-E179 WeakPolarHBondContact CB-OE2 3.05Å; I126-E179 HydrophobicContact CD1-CB 4.19Å; I126-E179 HydrophobicContact CG1-CB 4.39Å; I126-E179 PolarHBondContact N-OE2 2.95Å; F175-E179 WeakPolarHBondContact CA-O 3.39Å; F175-E179 WeakPolarHBondContact CD2-O 3.3Å; T176-E179 PolarHBondContact N-O 2.93Å; T176-E179 PolarHBondContact OG1-N 2.72Å; T176-E179 PolarHBondContact OG1-O 2.99Å; E179-K211 IonicContact OE1-NZ 3.97Å; E179-K211 PolarHBondContact OE1-NZ 3.47Å; E179-V222 HydrophobicContact CB-CG1 3.73Å; E179-V222 HydrophobicContact CG-CG1 3.86Å; E179-F223 CarbonylContact C-O 3.53Å; E179-F223 WeakPolarHBondContact CA-O 3.49Å; E179-W224 HydrophobicContact CG-CE3 4.35Å; E179-W224 HydrophobicContact CG-CZ3 4.38Å
180L91.5Very high89.3Confident0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-118.1117.3169.717867.7000108.5L95 I101 C173 L174 F175 I182 V222 F223 L228 L249L95-L180 HydrophobicContact CD2-CD1 4.32Å; L95-L180 HydrophobicContact CD2-CD2 4.35Å; I101-L180 HydrophobicContact CD1-CD2 3.55Å; I101-L180 HydrophobicContact CG1-CD2 4.27Å; C173-L180 HydrophobicContact CB-CD1 4.21Å; L174-L180 WeakPolarHBondContact O-CA 3.29Å; F175-L180 HydrophobicContact CB-CD1 4.11Å; F175-L180 HydrophobicContact CD2-CB 4.36Å; F175-L180 HydrophobicContact CD2-CD1 4.37Å; L180-I182 HydrophobicContact CD2-CG2 4.45Å; L180-I182 HydrophobicContact CG-CG2 4.17Å; L180-V222 WeakPolarHBondContact O-CA 3.25Å; L180-F223 HydrophobicContact CB-CB 4.48Å; L180-F223 PolarHBondContact N-O 2.86Å; L180-F223 PolarHBondContact O-N 3.05Å; L180-L228 HydrophobicContact CB-CD1 4.09Å; L180-L228 HydrophobicContact CD2-CD1 3.63Å; L180-L228 HydrophobicContact CG-CD1 4.49Å; L180-L249 HydrophobicContact CB-CD2 4.48Å; L180-L249 HydrophobicContact CD2-CD2 4.32Å
181M89.9Confident90.2Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-103.2126.5177.8178.8179.1-18000110.4I126 L165 A168 C173 L174 Y220 F221 V222I126-M181 HydrophobicContact CD1-CB 3.56Å; I126-M181 HydrophobicContact CD1-CG 4.39Å; I126-M181 HydrophobicContact CD1-SD 4.04Å; I126-M181 HydrophobicContact CG2-SD 4.31Å; L165-M181 HydrophobicContact CD1-CE 3.87Å; L165-M181 HydrophobicContact CD1-SD 4.35Å; L165-M181 HydrophobicContact CD2-CE 3.66Å; L165-M181 HydrophobicContact CD2-SD 3.45Å; L165-M181 WeakPolarHBondContact CD2-SD 3.1Å; L165-M181 HydrophobicContact CG-CE 4.34Å; A168-M181 HydrophobicContact CB-CE 3.92Å; A168-M181 HydrophobicContact CB-CG 4.48Å; A168-M181 HydrophobicContact CB-SD 4.41Å; C173-M181 WeakPolarHBondContact CA-O 3.37Å; C173-M181 WeakPolarHBondContact CB-O 3.46Å; L174-M181 HydrophobicContact CB-CB 4.31Å; L174-M181 PolarHBondContact N-O 3.26Å; L174-M181 VanDerWaalsContact N-O 3.08Å; L174-M181 PolarHBondContact O-N 2.96Å; M181-Y220 VanDerWaalsContact CE-CB 3.45Å; M181-Y220 HydrophobicContact CE-CD1 3.64Å; M181-Y220 HydrophobicContact CE-CD2 3.36Å; M181-Y220 HydrophobicContact CE-CE1 4.18Å; M181-Y220 HydrophobicContact CE-CE2 3.91Å; M181-Y220 HydrophobicContact CE-CG 3.16Å; M181-Y220 HydrophobicContact CG-CG 4.49Å; M181-F221 WeakPolarHBondContact CA-O 3.18Å; M181-V222 HydrophobicContact CB-CG2 4.26Å; M181-V222 HydrophobicContact CG-CG2 4.14Å
182I91.5Very high90.7Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-131.9153.7177.265.7177.1000110.7I101 C173 L180 L186 V187 F221 F223I101-I182 HydrophobicContact CD1-CD1 4.01Å; I101-I182 HydrophobicContact CD1-CG2 4.24Å; C173-I182 HydrophobicContact CB-CG2 3.9Å; L180-I182 HydrophobicContact CD2-CG2 4.45Å; L180-I182 HydrophobicContact CG-CG2 4.17Å; I182-L186 HydrophobicContact CB-CB 4.43Å; I182-L186 HydrophobicContact CB-CD1 4.08Å; I182-L186 HydrophobicContact CD1-CB 4.17Å; I182-V187 HydrophobicContact CD1-CG2 4.03Å; I182-V187 HydrophobicContact CG1-CG2 4.4Å; I182-F221 HydrophobicContact CG1-CB 4.19Å; I182-F221 PolarHBondContact N-O 3.09Å; I182-F221 PolarHBondContact O-N 3.29Å; I182-F223 HydrophobicContact CD1-CD2 4.26Å; I182-F223 HydrophobicContact CD1-CE2 3.48Å; I182-F223 VanDerWaalsContact CD1-CE2 3.48Å; I182-F223 HydrophobicContact CD1-CZ 4.18Å; I182-F223 HydrophobicContact CG1-CD2 4.24Å; I182-F223 HydrophobicContact CG1-CE2 3.68Å
183D90.4Very high91.2Very high19 Ų1937.1 Ų37.110%0.10219%0.185CC..EExtended strand (participates in β ladder)trans-64.7147.9170.8-177.5-95.7000111.7S185 L186 Y220D183-S185 PolarHBondContact O-N 3.26Å; D183-S185 WeakPolarHBondContact OD1-CB 3.25Å; D183-S185 PolarHBondContact OD1-N 2.98Å; D183-S185 PolarHBondContact OD1-OG 3.22Å; D183-L186 HydrophobicContact CB-CD1 4.47Å; D183-L186 WeakPolarHBondContact O-CB 3.32Å; D183-L186 PolarHBondContact O-N 2.95Å; D183-Y220 HydrophobicContact CB-CE1 4.41Å
184R90.4Very high91.1Very high152 Ų15240.1 Ų40.157%0.57421%0.206SC*.G310 helixtrans-52.5-36.3176.9175.5-180-176151.2-9.7113.5L186 V187 E219 F221R184-L186 PolarHBondContact O-N 3.29Å; R184-V187 WeakPolarHBondContact O-CB 3.32Å; R184-V187 PolarHBondContact O-N 2.69Å; R184-V187 VanDerWaalsContact O-N 3.14Å; R184-E219 VanDerWaalsContact CD-OE2 3.24Å; R184-E219 WeakPolarHBondContact CD-OE2 2.74Å; R184-E219 IonicContact CZ-OE2 3.42Å; R184-E219 IonicContact NE-OE2 3.57Å; R184-E219 IonicContact NH1-OE1 3.93Å; R184-E219 IonicContact NH1-OE2 2.69Å; R184-E219 PolarHBondContact NH1-OE2 3.42Å; R184-F221 HydrophobicContact CB-CD2 4.18Å; R184-F221 HydrophobicContact CB-CE2 3.81Å; R184-F221 HydrophobicContact CG-CE2 3.81Å
185S92.2Very high90.7Very high77 Ų7745.2 Ų45.254%0.53823%0.228SC..G310 helixtrans-64.3-20.7-178.564.90000113.6D183D183-S185 PolarHBondContact O-N 3.26Å; D183-S185 WeakPolarHBondContact OD1-CB 3.25Å; D183-S185 PolarHBondContact OD1-N 2.98Å; D183-S185 PolarHBondContact OD1-OG 3.22Å
186L94.2Very high89.9Confident21 Ų2147.6 Ų47.611%0.1125%0.253CS..G310 helixtrans-84.2-13.4178.5-60.1176.4000112.6G111 N112 V116 P170 I182 D183 R184G111-L186 CarbonylContact C-O 3.34Å; G111-L186 WeakPolarHBondContact CA-O 3.38Å; N112-L186 PolarHBondContact N-O 2.74Å; N112-L186 WeakPolarHBondContact O-CD2 3.37Å; V116-L186 HydrophobicContact CG1-CD1 4.18Å; V116-L186 HydrophobicContact CG2-CD1 3.91Å; V116-L186 HydrophobicContact CG2-CD2 3.83Å; P170-L186 WeakPolarHBondContact O-CD2 3.08Å; I182-L186 HydrophobicContact CB-CB 4.43Å; I182-L186 HydrophobicContact CB-CD1 4.08Å; I182-L186 HydrophobicContact CD1-CB 4.17Å; D183-L186 HydrophobicContact CB-CD1 4.47Å; D183-L186 WeakPolarHBondContact O-CB 3.32Å; D183-L186 PolarHBondContact O-N 2.95Å; R184-L186 PolarHBondContact O-N 3.29Å
187V95Very high88.8Confident23 Ų2355 Ų5514%0.13929%0.292CS..BIsolated β-bridgetrans-77.6130.3-179.6-179.70000110.6L110 I182 R184 I192 F221L110-V187 WeakPolarHBondContact O-CA 3.37Å; I182-V187 HydrophobicContact CD1-CG2 4.03Å; I182-V187 HydrophobicContact CG1-CG2 4.4Å; R184-V187 WeakPolarHBondContact O-CB 3.32Å; R184-V187 PolarHBondContact O-N 2.69Å; R184-V187 VanDerWaalsContact O-N 3.14Å; V187-I192 HydrophobicContact CG1-CD1 3.84Å; V187-I192 HydrophobicContact CG1-CG1 4.16Å; V187-F221 HydrophobicContact CG2-CB 4.04Å; V187-F221 HydrophobicContact CG2-CD1 4.25Å; V187-F221 HydrophobicContact CG2-CD2 3.61Å; V187-F221 HydrophobicContact CG2-CE2 4.16Å; V187-F221 HydrophobicContact CG2-CG 3.67Å
188E96.3Very high88.4Confident65 Ų6559 Ų5930%0.30431%0.313SS..PPolyproline II helixtrans-67129.4178.4-174.970.7-142.300109.8K109 L110 K190 S191K109-E188 HydrophobicContact CD-CG 4.46Å; K109-E188 WeakPolarHBondContact CD-OE2 3.34Å; K109-E188 WeakPolarHBondContact CE-OE2 3.42Å; K109-E188 HydrophobicContact CG-CB 4.44Å; K109-E188 HydrophobicContact CG-CG 4.33Å; K109-E188 IonicContact NZ-OE2 3.26Å; K109-E188 PolarHBondContact NZ-OE2 2.8Å; L110-E188 PolarHBondContact O-N 3.26Å; E188-K190 PolarHBondContact O-N 2.82Å; E188-S191 WeakPolarHBondContact O-CB 3.27Å; E188-S191 PolarHBondContact O-N 2.73Å; E188-S191 PolarHBondContact O-OG 2.68Å
189P94.2Very high88.5Confident100 Ų10060.6 Ų60.665%0.64932%0.32SS*.THydrogen-bonded Turntrans-55.5137.7-178.2-27.134.9000112.7S191P189-S191 PolarHBondContact O-N 3.19Å
190K94.2Very high88.7Confident197 Ų19760.6 Ų60.686%0.85732%0.32SS*.THydrogen-bonded Turntrans60.35.3179.1-52175.9179.9176.30115.1E188 I192 S203E188-K190 PolarHBondContact O-N 2.82Å; K190-I192 PolarHBondContact O-N 3.37Å; K190-S203 WeakPolarHBondContact O-CB 3.06Å; K190-S203 PolarHBondContact O-OG 3.31Å
191S96.6Very high88.9Confident0 Ų060.9 Ų60.90%032%0.322CS..SBendtrans-69.9-22.2179.465.60000113.4K109 L110 E188 P189 S203K109-S191 WeakPolarHBondContact O-CB 3.04Å; L110-S191 PolarHBondContact O-OG 3.15Å; E188-S191 WeakPolarHBondContact O-CB 3.27Å; E188-S191 PolarHBondContact O-N 2.73Å; E188-S191 PolarHBondContact O-OG 2.68Å; P189-S191 PolarHBondContact O-N 3.19Å; S191-S203 WeakPolarHBondContact CA-OG 3.49Å; S191-S203 VanDerWaalsContact O-CB 3.28Å; S191-S203 WeakPolarHBondContact O-CB 3.44Å; S191-S203 PolarHBondContact O-N 3.3Å; S191-S203 PolarHBondContact O-OG 3.27Å
192I95.5Very high89.3Confident30 Ų3060.9 Ų60.915%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-124.5153.9-178.158.6170.6000111.7L110 V187 K190 F200 H201 L209 F221L110-I192 HydrophobicContact CD2-CG2 4.13Å; V187-I192 HydrophobicContact CG1-CD1 3.84Å; V187-I192 HydrophobicContact CG1-CG1 4.16Å; K190-I192 PolarHBondContact O-N 3.37Å; I192-F200 HydrophobicContact CB-CD2 4.04Å; I192-F200 HydrophobicContact CD1-CB 4.48Å; I192-F200 HydrophobicContact CD1-CD2 4.23Å; I192-F200 HydrophobicContact CD1-CG 4.26Å; I192-F200 HydrophobicContact CG2-CD2 3.74Å; I192-F200 HydrophobicContact CG2-CE2 4.07Å; I192-H201 CarbonylContact C-O 3.53Å; I192-H201 WeakPolarHBondContact CA-O 2.94Å; I192-L209 HydrophobicContact CG2-CD1 4.22Å; I192-F221 HydrophobicContact CD1-CD1 3.57Å; I192-F221 HydrophobicContact CD1-CE1 3.09Å; I192-F221 HydrophobicContact CD1-CZ 3.92Å
193Q94.3Very high89.5Confident87 Ų8762 Ų6241%0.40733%0.33SS..EExtended strand (participates in β ladder)trans-130.6152.5174-67.6179.613.400109.6F200 H201 W279Q193-F200 CarbonylContact O-C 3.58Å; Q193-F200 VanDerWaalsContact O-CA 3.28Å; Q193-F200 WeakPolarHBondContact O-CA 3.3Å; Q193-H201 PolarHBondContact N-O 3Å; Q193-H201 PolarHBondContact O-N 3.08Å; Q193-W279 HydrophobicContact CB-CH2 4.29Å; Q193-W279 HydrophobicContact CB-CZ3 4.37Å
194S88.1Confident89.8Confident64 Ų6464.5 Ų64.545%0.44835%0.348SS..EExtended strand (participates in β ladder)trans-129.2136.5175.252.90000109.8
195K77.7Confident90.1Very high112 Ų11258.8 Ų58.849%0.48733%0.331SS..SBendtrans-122.8104.4174.8-175-176.3174.2-171.40107.7W279 D280K195-W279 HydrophobicContact CB-CH2 4.32Å; K195-W279 HydrophobicContact CB-CZ3 4.36Å; K195-W279 HydrophobicContact CD-CZ2 4.31Å; K195-W279 VanDerWaalsContact CD-O 3.3Å; K195-W279 WeakPolarHBondContact CD-O 3.35Å; K195-W279 PolarHBondContact NZ-O 3.21Å; K195-D280 IonicContact NZ-OD1 3.77Å
196G70.3Confident90.2Very high51 Ų5158.1 Ų58.153%0.52632%0.321SS..SBendtrans79.8-164.3-164.800000111.7
197N61.3Low90.2Very high154 Ų15460 Ų6082%0.82433%0.33SS*.SBendtrans-98-24.7-151.1-762.1000118.6
198D76.2Confident90.2Very high85 Ų8559 Ų5946%0.45532%0.324SS..SBendtrans-115.9-37.2-172-55-38.3000114.6K211 K212D198-K211 CarbonylContact O-C 3.6Å; D198-K211 WeakPolarHBondContact O-CA 3.41Å; D198-K211 VanDerWaalsContact O-CB 3.29Å; D198-K211 WeakPolarHBondContact O-CB 3.43Å; D198-K212 PolarHBondContact O-N 3.47Å
199F89.8Confident90.1Very high35 Ų3555.9 Ų55.915%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-93.7142.5-173.7-55-69.2000112.4G210 K211 I277 L282 H370F199-G210 VanDerWaalsContact CA-O 3.32Å; F199-G210 WeakPolarHBondContact CA-O 2.84Å; F199-K211 HydrophobicContact CD1-CB 3.95Å; F199-K211 HydrophobicContact CE1-CB 4.21Å; F199-I277 HydrophobicContact CB-CG2 4.09Å; F199-I277 HydrophobicContact CD1-CD1 3.4Å; F199-I277 VanDerWaalsContact CD1-CD1 3.4Å; F199-I277 HydrophobicContact CD1-CG1 4.27Å; F199-I277 HydrophobicContact CD2-CD1 4.37Å; F199-I277 HydrophobicContact CD2-CG1 4.38Å; F199-I277 HydrophobicContact CD2-CG2 4.32Å; F199-I277 HydrophobicContact CE1-CD1 3.49Å; F199-I277 VanDerWaalsContact CE1-CD1 3.49Å; F199-I277 HydrophobicContact CE1-CG1 4.3Å; F199-I277 HydrophobicContact CE2-CD1 4.44Å; F199-I277 HydrophobicContact CE2-CG1 4.42Å; F199-I277 HydrophobicContact CG-CD1 3.88Å; F199-I277 HydrophobicContact CG-CG1 4.31Å; F199-I277 HydrophobicContact CG-CG2 4.1Å; F199-I277 HydrophobicContact CZ-CD1 4.04Å; F199-I277 HydrophobicContact CZ-CG1 4.39Å; F199-L282 HydrophobicContact CE2-CD2 4.13Å; F199-H370 HydrophobicContact CE1-CB 3.98Å; F199-H370 HydrophobicContact CE2-CB 4.32Å; F199-H370 HydrophobicContact CZ-CB 3.5Å; F199-H370 AromaticContact CZ-CD2 3.72Å; F199-H370 AromaticContact CZ-CG 3.81Å
200F93.6Very high90.1Very high0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-119.6152.1171.467.9-99.2000111.2I192 Q193 L209 G210 K211 K212 F221 F223I192-F200 HydrophobicContact CB-CD2 4.04Å; I192-F200 HydrophobicContact CD1-CB 4.48Å; I192-F200 HydrophobicContact CD1-CD2 4.23Å; I192-F200 HydrophobicContact CD1-CG 4.26Å; I192-F200 HydrophobicContact CG2-CD2 3.74Å; I192-F200 HydrophobicContact CG2-CE2 4.07Å; Q193-F200 CarbonylContact O-C 3.58Å; Q193-F200 VanDerWaalsContact O-CA 3.28Å; Q193-F200 WeakPolarHBondContact O-CA 3.3Å; F200-L209 HydrophobicContact CD2-CB 3.89Å; F200-L209 HydrophobicContact CD2-CD1 4.48Å; F200-L209 HydrophobicContact CE2-CB 3.47Å; F200-L209 VanDerWaalsContact CE2-CB 3.47Å; F200-L209 HydrophobicContact CE2-CD1 4.27Å; F200-L209 HydrophobicContact CZ-CB 4.4Å; F200-L209 PolarHBondContact O-N 3.19Å; F200-G210 VanDerWaalsContact CE1-C 3.42Å; F200-G210 PolarHBondContact N-O 2.87Å; F200-G210 PolarHBondContact O-N 2.9Å; F200-K211 VanDerWaalsContact CE1-C 3.48Å; F200-K211 WeakPolarHBondContact CE1-O 3.29Å; F200-K212 HydrophobicContact CD1-CG 4.2Å; F200-F221 AromaticContact CD1-CD1 3.8Å; F200-F221 HydrophobicContact CD1-CD1 3.8Å; F200-F221 HydrophobicContact CD1-CE1 4.23Å; F200-F221 HydrophobicContact CE1-CB 4.23Å; F200-F221 AromaticContact CE1-CD1 3.58Å; F200-F221 HydrophobicContact CE1-CD1 3.58Å; F200-F221 HydrophobicContact CE1-CE1 4.44Å; F200-F221 HydrophobicContact CE1-CG 4.38Å; F200-F221 HydrophobicContact CG-CD1 4.43Å; F200-F221 HydrophobicContact CZ-CB 4.37Å; F200-F221 HydrophobicContact CZ-CD1 4.05Å; F200-F223 AromaticContact CE2-CD1 3.62Å; F200-F223 HydrophobicContact CE2-CD1 3.62Å; F200-F223 AromaticContact CE2-CE1 3.33Å; F200-F223 HydrophobicContact CE2-CE1 3.33Å; F200-F223 HydrophobicContact CE2-CG 4.42Å; F200-F223 AromaticContact CE2-CZ 3.87Å; F200-F223 HydrophobicContact CE2-CZ 3.87Å; F200-F223 AromaticContact CZ-CD1 3.6Å; F200-F223 HydrophobicContact CZ-CD1 3.6Å; F200-F223 HydrophobicContact CZ-CD2 4.16Å; F200-F223 AromaticContact CZ-CE1 3.52Å; F200-F223 HydrophobicContact CZ-CE1 3.52Å; F200-F223 HydrophobicContact CZ-CE2 4.05Å; F200-F223 AromaticContact CZ-CG 3.93Å; F200-F223 HydrophobicContact CZ-CG 3.93Å; F200-F223 AromaticContact CZ-CZ 3.75Å; F200-F223 HydrophobicContact CZ-CZ 3.75Å
201H95.8Very high89.8Confident6 Ų642.5 Ų42.53%0.02824%0.242CC..EExtended strand (participates in β ladder)trans-124.3156.3-173.5-5564.5000109.1I192 Q193 S203 L206 M207 T278 W279I192-H201 CarbonylContact C-O 3.53Å; I192-H201 WeakPolarHBondContact CA-O 2.94Å; Q193-H201 PolarHBondContact N-O 3Å; Q193-H201 PolarHBondContact O-N 3.08Å; H201-S203 PolarHBondContact O-N 2.92Å; H201-L206 PolarHBondContact CD2-O 3.19Å; H201-L206 VanDerWaalsContact CD2-O 3.26Å; H201-M207 CarbonylContact C-O 3.59Å; H201-M207 WeakPolarHBondContact CA-O 3.35Å; H201-M207 WeakPolarHBondContact CB-O 3.44Å; H201-T278 PolarHBondContact NE2-O 3.07Å; H201-W279 HydrophobicContact CB-CE3 4.09Å; H201-W279 HydrophobicContact CB-CZ3 4.06Å; H201-W279 AromaticContact CD2-CE3 3.81Å; H201-W279 AromaticContact CG-CE3 3.78Å
202C97.1Very high89.3Confident0 Ų045.5 Ų45.50%026%0.255CS..EExtended strand (participates in β ladder)trans-61.7127.7170-178.20000109.5C106 S204 C205 L206 M207 L209C106-C202 PolarHBondContact SG-SG 2.86Å; C202-S204 PolarHBondContact O-N 3.27Å; C202-C205 WeakPolarHBondContact CB-SG 3Å; C202-C205 VanDerWaalsContact SG-SG 3.68Å; C202-L206 WeakPolarHBondContact O-CA 3.13Å; C202-L206 PolarHBondContact O-N 3.47Å; C202-M207 PolarHBondContact N-O 2.95Å; C202-L209 HydrophobicContact CB-CD1 3.75Å; C202-L209 HydrophobicContact CB-CG 4.18Å
203S96.8Very high88.5Confident25 Ų2544.9 Ų44.918%0.17525%0.253CS..THydrogen-bonded Turntrans-59.2-27.4177.758.80000114.3K190 S191 H201K190-S203 WeakPolarHBondContact O-CB 3.06Å; K190-S203 PolarHBondContact O-OG 3.31Å; S191-S203 WeakPolarHBondContact CA-OG 3.49Å; S191-S203 VanDerWaalsContact O-CB 3.28Å; S191-S203 WeakPolarHBondContact O-CB 3.44Å; S191-S203 PolarHBondContact O-N 3.3Å; S191-S203 PolarHBondContact O-OG 3.27Å; H201-S203 PolarHBondContact O-N 2.92Å
204S96.6Very high87.7Confident70 Ų7047 Ų4749%0.4927%0.266SS..THydrogen-bonded Turntrans-90.9-43-174-57.10000113.2Q108 C202Q108-S204 VanDerWaalsContact CD-OG 3.3Å; Q108-S204 PolarHBondContact OE1-OG 2.8Å; C202-S204 PolarHBondContact O-N 3.27Å
205C96.3Very high86.8Confident32 Ų3248.6 Ų48.622%0.21626%0.263CS..THydrogen-bonded Turntrans-110.1-4.8-178.165.60000114.6C103 C106 C202 M207C103-C205 VanDerWaalsContact SG-SG 3.68Å; C106-C205 HydrophobicContact CB-CB 3.94Å; C202-C205 WeakPolarHBondContact CB-SG 3Å; C202-C205 VanDerWaalsContact SG-SG 3.68Å; C205-M207 HydrophobicContact CB-CG 4.19Å; C205-M207 PolarHBondContact O-N 2.89Å; C205-M207 VanDerWaalsContact O-N 3.08Å; C205-M207 WeakPolarHBondContact SG-CG 3.41Å
206L94.4Very high86.5Confident63 Ų6346.5 Ų46.533%0.3327%0.273SS..  trans59.215.4-178.5-51.3179000114.7H201 C202 W279H201-L206 PolarHBondContact CD2-O 3.19Å; H201-L206 VanDerWaalsContact CD2-O 3.26Å; C202-L206 WeakPolarHBondContact O-CA 3.13Å; C202-L206 PolarHBondContact O-N 3.47Å; L206-W279 HydrophobicContact CB-CB 4.43Å; L206-W279 HydrophobicContact CB-CD2 4.14Å; L206-W279 HydrophobicContact CB-CE3 4.1Å; L206-W279 HydrophobicContact CB-CG 4.3Å; L206-W279 HydrophobicContact CD1-CD2 4.1Å; L206-W279 HydrophobicContact CD1-CG 4.22Å; L206-W279 HydrophobicContact CD2-CD2 4.27Å; L206-W279 HydrophobicContact CD2-CE3 4.06Å; L206-W279 HydrophobicContact CD2-CH2 4.01Å; L206-W279 HydrophobicContact CD2-CZ2 4.22Å; L206-W279 HydrophobicContact CD2-CZ3 3.94Å; L206-W279 HydrophobicContact CG-CD2 4.41Å; L206-W279 HydrophobicContact CG-CE3 4.5Å
207M95.1Very high86.7Confident60 Ų6049.9 Ų49.930%0.29629%0.289SS..  trans-72.5137173.2-62-56.6147.900110.4F105 H201 C202 C205 L209 E374F105-M207 HydrophobicContact CB-CG 4.22Å; F105-M207 HydrophobicContact CD2-CB 3.5Å; F105-M207 HydrophobicContact CD2-CG 3.75Å; F105-M207 HydrophobicContact CE2-CB 3.83Å; F105-M207 HydrophobicContact CE2-CG 4.34Å; F105-M207 HydrophobicContact CG-CB 4.31Å; F105-M207 HydrophobicContact CG-CG 4.05Å; H201-M207 CarbonylContact C-O 3.59Å; H201-M207 WeakPolarHBondContact CA-O 3.35Å; H201-M207 WeakPolarHBondContact CB-O 3.44Å; C202-M207 PolarHBondContact N-O 2.95Å; C205-M207 HydrophobicContact CB-CG 4.19Å; C205-M207 PolarHBondContact O-N 2.89Å; C205-M207 VanDerWaalsContact O-N 3.08Å; C205-M207 WeakPolarHBondContact SG-CG 3.41Å; M207-L209 PolarHBondContact O-N 3.37Å; M207-E374 HydrophobicContact SD-CG 4.46Å
208A94.1Very high87.5Confident2 Ų246.9 Ų46.92%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-65.4131.2176.700000109.6I277 P372A208-I277 HydrophobicContact CB-CB 3.85Å; A208-I277 HydrophobicContact CB-CG2 3.58Å; A208-P372 HydrophobicContact CB-CB 4.06Å; A208-P372 HydrophobicContact CB-CG 4.28Å; A208-P372 WeakPolarHBondContact O-CB 3.48Å; A208-P372 WeakPolarHBondContact O-CG 3.49Å
209L95.2Very high87.8Confident0 Ų045 Ų450%026%0.258CS..EExtended strand (participates in β ladder)trans-115.4-27-175.5-69177.4000112.5L110 I192 F200 C202 M207 F223 W224 C227L110-L209 HydrophobicContact CD1-CD1 3.6Å; L110-L209 HydrophobicContact CD1-CD2 4.25Å; L110-L209 HydrophobicContact CD2-CD1 3.5Å; L110-L209 HydrophobicContact CG-CD1 4.2Å; I192-L209 HydrophobicContact CG2-CD1 4.22Å; F200-L209 HydrophobicContact CD2-CB 3.89Å; F200-L209 HydrophobicContact CD2-CD1 4.48Å; F200-L209 HydrophobicContact CE2-CB 3.47Å; F200-L209 VanDerWaalsContact CE2-CB 3.47Å; F200-L209 HydrophobicContact CE2-CD1 4.27Å; F200-L209 HydrophobicContact CZ-CB 4.4Å; F200-L209 PolarHBondContact O-N 3.19Å; C202-L209 HydrophobicContact CB-CD1 3.75Å; C202-L209 HydrophobicContact CB-CG 4.18Å; M207-L209 PolarHBondContact O-N 3.37Å; L209-F223 HydrophobicContact CB-CD1 4.18Å; L209-F223 HydrophobicContact CD1-CE1 4.5Å; L209-F223 CarbonylContact O-C 3.46Å; L209-F223 WeakPolarHBondContact O-CA 3.23Å; L209-W224 PolarHBondContact O-N 3.37Å; L209-C227 HydrophobicContact CD2-CB 4.11Å
210G92.2Very high87.6Confident1 Ų143.6 Ų43.61%0.0125%0.252CS..EExtended strand (participates in β ladder)trans168.3-162.1-169.100000113.3F199 F200 V222F199-G210 VanDerWaalsContact CA-O 3.32Å; F199-G210 WeakPolarHBondContact CA-O 2.84Å; F200-G210 VanDerWaalsContact CE1-C 3.42Å; F200-G210 PolarHBondContact N-O 2.87Å; F200-G210 PolarHBondContact O-N 2.9Å; G210-V222 CarbonylContact C-O 3.56Å; G210-V222 WeakPolarHBondContact CA-O 3.12Å
211K88.8Confident87.5Confident16 Ų1644 Ų447%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-137.6153.9-179.565.8-172.9180-163.20112.2I126 L128 E179 D198 F199 F200 V213 V222I126-K211 WeakPolarHBondContact O-CE 3.41Å; I126-K211 PolarHBondContact O-NZ 3.06Å; L128-K211 HydrophobicContact CD2-CD 4.49Å; E179-K211 IonicContact OE1-NZ 3.97Å; E179-K211 PolarHBondContact OE1-NZ 3.47Å; D198-K211 CarbonylContact O-C 3.6Å; D198-K211 WeakPolarHBondContact O-CA 3.41Å; D198-K211 VanDerWaalsContact O-CB 3.29Å; D198-K211 WeakPolarHBondContact O-CB 3.43Å; F199-K211 HydrophobicContact CD1-CB 3.95Å; F199-K211 HydrophobicContact CE1-CB 4.21Å; F200-K211 VanDerWaalsContact CE1-C 3.48Å; F200-K211 WeakPolarHBondContact CE1-O 3.29Å; K211-V213 HydrophobicContact CD-CG2 4.33Å; K211-V213 HydrophobicContact CG-CG2 4.08Å; K211-V222 HydrophobicContact CG-CB 4.08Å; K211-V222 PolarHBondContact N-O 2.86Å; K211-V222 PolarHBondContact O-N 3.29Å
212K87.1Confident87.2Confident62 Ų6243.8 Ų43.827%0.2725%0.253SS..EExtended strand (participates in β ladder)trans-83.8142.2168.4-61.8-177.8-174.4175.60109.3D198 F200 Y220 F221D198-K212 PolarHBondContact O-N 3.47Å; F200-K212 HydrophobicContact CD1-CG 4.2Å; K212-Y220 WeakPolarHBondContact CA-O 3.36Å; K212-F221 HydrophobicContact CD-CE1 4.01Å; K212-F221 HydrophobicContact CD-CZ 4.11Å; K212-F221 HydrophobicContact CG-CD1 4.12Å; K212-F221 HydrophobicContact CG-CE1 3.65Å; K212-F221 HydrophobicContact CG-CZ 4.08Å
213V78.7Confident87.1Confident18 Ų1843.8 Ų43.811%0.10925%0.253CS..EExtended strand (participates in β ladder)trans-131.9134.3176.1179.80000108.5L128 K211 Y220 V222L128-V213 HydrophobicContact CD2-CG2 4.33Å; K211-V213 HydrophobicContact CD-CG2 4.33Å; K211-V213 HydrophobicContact CG-CG2 4.08Å; V213-Y220 PolarHBondContact N-O 2.74Å; V213-Y220 PolarHBondContact O-N 2.78Å; V213-V222 HydrophobicContact CB-CG2 4.18Å; V213-V222 HydrophobicContact CG2-CB 4.37Å; V213-V222 HydrophobicContact CG2-CG2 3.59Å
214L76.7Confident86.9Confident130 Ų13043 Ų4368%0.68125%0.246SC*.EExtended strand (participates in β ladder)trans-94.2132.7169.6-65.8174.1000108.8Q218 E219L214-Q218 WeakPolarHBondContact CA-O 3.24Å; L214-E219 HydrophobicContact CD2-CB 3.99Å; L214-E219 HydrophobicContact CD2-CG 4.26Å
215Y69.8Low86.8Confident98 Ų9839.7 Ų39.738%0.38422%0.223SC..EExtended strand (participates in β ladder)trans-132.5112.1170.6-179.7-99.6000108.6L165 S217 Q218L165-Y215 HydrophobicContact CB-CD1 3.92Å; L165-Y215 HydrophobicContact CB-CD2 4.34Å; L165-Y215 HydrophobicContact CB-CE1 3.64Å; L165-Y215 HydrophobicContact CB-CE2 4.1Å; L165-Y215 HydrophobicContact CB-CG 4.25Å; L165-Y215 HydrophobicContact CD1-CD1 4.32Å; L165-Y215 HydrophobicContact CD1-CD2 3.61Å; L165-Y215 HydrophobicContact CD1-CE2 3.95Å; L165-Y215 HydrophobicContact CD1-CG 3.81Å; Y215-S217 PolarHBondContact O-N 2.96Å; Y215-Q218 PolarHBondContact N-O 3.24Å; Y215-Q218 PolarHBondContact O-N 3.18Å
216G70.4Confident86.7Confident69 Ų6938.4 Ų38.471%0.71121%0.214SC*.THydrogen-bonded Turntrans58-118.5-166.300000111
217S74.2Confident86.7Confident122 Ų12235.4 Ų35.485%0.85320%0.198SC*.THydrogen-bonded Turntrans-99.10.1176.858.80000114.4Y215Y215-S217 PolarHBondContact O-N 2.96Å
218Q78.1Confident86.8Confident90 Ų9032.6 Ų32.642%0.42118%0.184SC..EExtended strand (participates in β ladder)trans-100.5141.8-174.4-62.1-171.721.100111.5L214 Y215 Y220L214-Q218 WeakPolarHBondContact CA-O 3.24Å; Y215-Q218 PolarHBondContact N-O 3.24Å; Y215-Q218 PolarHBondContact O-N 3.18Å; Q218-Y220 HydrophobicContact CB-CD2 4.41Å; Q218-Y220 HydrophobicContact CB-CE2 3.62Å; Q218-Y220 PolarHBondContact OE1-OH 3.14Å
219E83.3Confident86.9Confident45 Ų4532.7 Ų32.721%0.2119%0.185CC..EExtended strand (participates in β ladder)trans-102.7127.9175.7-174.6-172.8-118.300109.9R184 L214 F221R184-E219 VanDerWaalsContact CD-OE2 3.24Å; R184-E219 WeakPolarHBondContact CD-OE2 2.74Å; R184-E219 IonicContact CZ-OE2 3.42Å; R184-E219 IonicContact NE-OE2 3.57Å; R184-E219 IonicContact NH1-OE1 3.93Å; R184-E219 IonicContact NH1-OE2 2.69Å; R184-E219 PolarHBondContact NH1-OE2 3.42Å; L214-E219 HydrophobicContact CD2-CB 3.99Å; L214-E219 HydrophobicContact CD2-CG 4.26Å; E219-F221 HydrophobicContact CG-CE2 4.42Å
220Y86.4Confident87Confident7 Ų732.7 Ų32.73%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-120.5153.1179.7-63.6-78000111.8A168 M181 D183 K212 V213 Q218A168-Y220 HydrophobicContact CB-CD1 3.7Å; A168-Y220 HydrophobicContact CB-CE1 3.2Å; A168-Y220 WeakPolarHBondContact O-CE1 3.2Å; A168-Y220 VanDerWaalsContact O-CZ 3.31Å; A168-Y220 PolarHBondContact O-OH 2.92Å; M181-Y220 VanDerWaalsContact CE-CB 3.45Å; M181-Y220 HydrophobicContact CE-CD1 3.64Å; M181-Y220 HydrophobicContact CE-CD2 3.36Å; M181-Y220 HydrophobicContact CE-CE1 4.18Å; M181-Y220 HydrophobicContact CE-CE2 3.91Å; M181-Y220 HydrophobicContact CE-CG 3.16Å; M181-Y220 HydrophobicContact CG-CG 4.49Å; D183-Y220 HydrophobicContact CB-CE1 4.41Å; K212-Y220 WeakPolarHBondContact CA-O 3.36Å; V213-Y220 PolarHBondContact N-O 2.74Å; V213-Y220 PolarHBondContact O-N 2.78Å; Q218-Y220 HydrophobicContact CB-CD2 4.41Å; Q218-Y220 HydrophobicContact CB-CE2 3.62Å; Q218-Y220 PolarHBondContact OE1-OH 3.14Å
221F90.7Very high87.2Confident8 Ų834.5 Ų34.54%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-109119175-71.7-98000109.3M181 I182 R184 V187 I192 F200 K212 E219 F223M181-F221 WeakPolarHBondContact CA-O 3.18Å; I182-F221 HydrophobicContact CG1-CB 4.19Å; I182-F221 PolarHBondContact N-O 3.09Å; I182-F221 PolarHBondContact O-N 3.29Å; R184-F221 HydrophobicContact CB-CD2 4.18Å; R184-F221 HydrophobicContact CB-CE2 3.81Å; R184-F221 HydrophobicContact CG-CE2 3.81Å; V187-F221 HydrophobicContact CG2-CB 4.04Å; V187-F221 HydrophobicContact CG2-CD1 4.25Å; V187-F221 HydrophobicContact CG2-CD2 3.61Å; V187-F221 HydrophobicContact CG2-CE2 4.16Å; V187-F221 HydrophobicContact CG2-CG 3.67Å; I192-F221 HydrophobicContact CD1-CD1 3.57Å; I192-F221 HydrophobicContact CD1-CE1 3.09Å; I192-F221 HydrophobicContact CD1-CZ 3.92Å; F200-F221 AromaticContact CD1-CD1 3.8Å; F200-F221 HydrophobicContact CD1-CD1 3.8Å; F200-F221 HydrophobicContact CD1-CE1 4.23Å; F200-F221 HydrophobicContact CE1-CB 4.23Å; F200-F221 AromaticContact CE1-CD1 3.58Å; F200-F221 HydrophobicContact CE1-CD1 3.58Å; F200-F221 HydrophobicContact CE1-CE1 4.44Å; F200-F221 HydrophobicContact CE1-CG 4.38Å; F200-F221 HydrophobicContact CG-CD1 4.43Å; F200-F221 HydrophobicContact CZ-CB 4.37Å; F200-F221 HydrophobicContact CZ-CD1 4.05Å; K212-F221 HydrophobicContact CD-CE1 4.01Å; K212-F221 HydrophobicContact CD-CZ 4.11Å; K212-F221 HydrophobicContact CG-CD1 4.12Å; K212-F221 HydrophobicContact CG-CE1 3.65Å; K212-F221 HydrophobicContact CG-CZ 4.08Å; E219-F221 HydrophobicContact CG-CE2 4.42Å; F221-F223 HydrophobicContact CB-CD2 4.24Å; F221-F223 HydrophobicContact CB-CE2 3.52Å; F221-F223 HydrophobicContact CB-CZ 4.14Å
222V90.4Very high87.5Confident1 Ų134.3 Ų34.31%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-106.9107.6179.6-177.40000108.3I126 E179 L180 M181 G210 K211 V213I126-V222 HydrophobicContact CB-CG1 4.19Å; I126-V222 HydrophobicContact CD1-CG1 4.27Å; I126-V222 HydrophobicContact CG2-CG1 4.39Å; I126-V222 HydrophobicContact CG2-CG2 3.98Å; E179-V222 HydrophobicContact CB-CG1 3.73Å; E179-V222 HydrophobicContact CG-CG1 3.86Å; L180-V222 WeakPolarHBondContact O-CA 3.25Å; M181-V222 HydrophobicContact CB-CG2 4.26Å; M181-V222 HydrophobicContact CG-CG2 4.14Å; G210-V222 CarbonylContact C-O 3.56Å; G210-V222 WeakPolarHBondContact CA-O 3.12Å; K211-V222 HydrophobicContact CG-CB 4.08Å; K211-V222 PolarHBondContact N-O 2.86Å; K211-V222 PolarHBondContact O-N 3.29Å; V213-V222 HydrophobicContact CB-CG2 4.18Å; V213-V222 HydrophobicContact CG2-CB 4.37Å; V213-V222 HydrophobicContact CG2-CG2 3.59Å
223F94Very high87.7Confident1 Ų136.8 Ų36.80%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-95.5143-179-65.5-98.5000111.3L110 E179 L180 I182 F200 L209 F221 A225 L228L110-F223 HydrophobicContact CB-CE1 4.29Å; L110-F223 HydrophobicContact CD1-CD1 4.38Å; L110-F223 HydrophobicContact CD1-CE1 4.05Å; E179-F223 CarbonylContact C-O 3.53Å; E179-F223 WeakPolarHBondContact CA-O 3.49Å; L180-F223 HydrophobicContact CB-CB 4.48Å; L180-F223 PolarHBondContact N-O 2.86Å; L180-F223 PolarHBondContact O-N 3.05Å; I182-F223 HydrophobicContact CD1-CD2 4.26Å; I182-F223 HydrophobicContact CD1-CE2 3.48Å; I182-F223 VanDerWaalsContact CD1-CE2 3.48Å; I182-F223 HydrophobicContact CD1-CZ 4.18Å; I182-F223 HydrophobicContact CG1-CD2 4.24Å; I182-F223 HydrophobicContact CG1-CE2 3.68Å; F200-F223 AromaticContact CE2-CD1 3.62Å; F200-F223 HydrophobicContact CE2-CD1 3.62Å; F200-F223 AromaticContact CE2-CE1 3.33Å; F200-F223 HydrophobicContact CE2-CE1 3.33Å; F200-F223 HydrophobicContact CE2-CG 4.42Å; F200-F223 AromaticContact CE2-CZ 3.87Å; F200-F223 HydrophobicContact CE2-CZ 3.87Å; F200-F223 AromaticContact CZ-CD1 3.6Å; F200-F223 HydrophobicContact CZ-CD1 3.6Å; F200-F223 HydrophobicContact CZ-CD2 4.16Å; F200-F223 AromaticContact CZ-CE1 3.52Å; F200-F223 HydrophobicContact CZ-CE1 3.52Å; F200-F223 HydrophobicContact CZ-CE2 4.05Å; F200-F223 AromaticContact CZ-CG 3.93Å; F200-F223 HydrophobicContact CZ-CG 3.93Å; F200-F223 AromaticContact CZ-CZ 3.75Å; F200-F223 HydrophobicContact CZ-CZ 3.75Å; L209-F223 HydrophobicContact CB-CD1 4.18Å; L209-F223 HydrophobicContact CD1-CE1 4.5Å; L209-F223 CarbonylContact O-C 3.46Å; L209-F223 WeakPolarHBondContact O-CA 3.23Å; F221-F223 HydrophobicContact CB-CD2 4.24Å; F221-F223 HydrophobicContact CB-CE2 3.52Å; F221-F223 HydrophobicContact CB-CZ 4.14Å; F223-A225 PolarHBondContact O-N 2.89Å; F223-L228 HydrophobicContact CB-CD1 3.67Å; F223-L228 HydrophobicContact CB-CD2 4.11Å; F223-L228 HydrophobicContact CB-CG 4.17Å; F223-L228 HydrophobicContact CD1-CD2 3.81Å; F223-L228 HydrophobicContact CG-CD1 4.24Å; F223-L228 HydrophobicContact CG-CD2 4.23Å
224W93.7Very high88.3Confident9 Ų940 Ų403%0.03422%0.215CC..EExtended strand (participates in β ladder)trans-70.7119.2166.2-72.2101.3000110.1F125 E179 L209 N226 C227 F256 H370 M371 P372F125-W224 HydrophobicContact CE1-CH2 4.13Å; E179-W224 HydrophobicContact CG-CE3 4.35Å; E179-W224 HydrophobicContact CG-CZ3 4.38Å; L209-W224 PolarHBondContact O-N 3.37Å; W224-N226 VanDerWaalsContact C-N 3.29Å; W224-N226 PolarHBondContact O-N 3.03Å; W224-C227 HydrophobicContact CB-CB 4.36Å; W224-C227 WeakPolarHBondContact O-CB 3.16Å; W224-C227 PolarHBondContact O-N 3.25Å; W224-F256 HydrophobicContact CE3-CE2 4.43Å; W224-F256 AromaticContact CE3-CZ 3.98Å; W224-F256 HydrophobicContact CE3-CZ 3.98Å; W224-F256 HydrophobicContact CZ3-CZ 4.32Å; W224-H370 WeakPolarHBondContact CZ2-O 3.46Å; W224-M371 HydrophobicContact CH2-CG 3.86Å; W224-M371 HydrophobicContact CH2-SD 4.36Å; W224-M371 HydrophobicContact CZ2-CG 4.02Å; W224-M371 HydrophobicContact CZ3-CG 4.31Å; W224-M371 HydrophobicContact CZ3-SD 4.31Å; W224-P372 HydrophobicContact CB-CG 4.07Å; W224-P372 VanDerWaalsContact CD1-CG 3.4Å; W224-P372 HydrophobicContact CG-CG 3.75Å
225A92.9Very high89Confident0 Ų037.3 Ų37.30%020%0.201CC..G310 helixtrans-62.6-34.5-169.800000113.6F175 L178 F223 C227 L228 L249 I250F175-A225 HydrophobicContact CE2-CB 3.65Å; F175-A225 HydrophobicContact CZ-CB 4.43Å; L178-A225 VanDerWaalsContact O-CB 3.26Å; L178-A225 WeakPolarHBondContact O-CB 3.5Å; L178-A225 PolarHBondContact O-N 3.15Å; F223-A225 PolarHBondContact O-N 2.89Å; A225-C227 PolarHBondContact O-N 2.94Å; A225-L228 PolarHBondContact O-N 2.79Å; A225-L249 HydrophobicContact CB-CD2 3.9Å; A225-I250 HydrophobicContact CB-CD1 3.56Å; A225-I250 HydrophobicContact CB-CG1 4.2Å
226N93.8Very high89.9Confident5 Ų535.4 Ų35.43%0.02720%0.198CC..G310 helixtrans-74-7.2178.972.8-44.9000113.7K104 W224 F256 T375K104-N226 WeakPolarHBondContact CD-O 3.41Å; K104-N226 PolarHBondContact NZ-O 2.88Å; K104-N226 VanDerWaalsContact NZ-O 3.14Å; W224-N226 VanDerWaalsContact C-N 3.29Å; W224-N226 PolarHBondContact O-N 3.03Å; N226-F256 HydrophobicContact CB-CB 4.43Å; N226-F256 HydrophobicContact CB-CD1 4.11Å; N226-F256 HydrophobicContact CB-CD2 3.78Å; N226-F256 HydrophobicContact CB-CE1 4.32Å; N226-F256 HydrophobicContact CB-CE2 3.94Å; N226-F256 HydrophobicContact CB-CG 3.84Å; N226-F256 HydrophobicContact CB-CZ 4.21Å; N226-F256 WeakPolarHBondContact OD1-CZ 3.46Å; N226-T375 WeakPolarHBondContact ND2-CG2 3.15Å; N226-T375 PolarHBondContact ND2-OG1 3.24Å; N226-T375 PolarHBondContact OD1-OG1 3.06Å
227C95.9Very high90.9Very high0 Ų040.1 Ų40.10%021%0.205CC..G310 helixtrans-93.9-0.9173.4-59.60000112.9K104 F105 L209 W224 A225K104-C227 WeakPolarHBondContact CB-O 3.36Å; K104-C227 PolarHBondContact N-O 3.36Å; F105-C227 HydrophobicContact CE2-CB 3.9Å; F105-C227 HydrophobicContact CZ-CB 4.17Å; L209-C227 HydrophobicContact CD2-CB 4.11Å; W224-C227 HydrophobicContact CB-CB 4.36Å; W224-C227 WeakPolarHBondContact O-CB 3.16Å; W224-C227 PolarHBondContact O-N 3.25Å; A225-C227 PolarHBondContact O-N 2.94Å
228L96.8Very high91.8Very high1 Ų140.7 Ų40.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-108.6146.7-173.6-58.9-174.6000112.9I101 L102 L110 L180 F223 A225 L249I101-L228 HydrophobicContact CG2-CB 4.3Å; I101-L228 HydrophobicContact CG2-CD1 3.85Å; I101-L228 HydrophobicContact CG2-CD2 3.68Å; I101-L228 HydrophobicContact CG2-CG 4.15Å; L102-L228 WeakPolarHBondContact O-CA 3.33Å; L110-L228 HydrophobicContact CD1-CD2 3.76Å; L180-L228 HydrophobicContact CB-CD1 4.09Å; L180-L228 HydrophobicContact CD2-CD1 3.63Å; L180-L228 HydrophobicContact CG-CD1 4.49Å; F223-L228 HydrophobicContact CB-CD1 3.67Å; F223-L228 HydrophobicContact CB-CD2 4.11Å; F223-L228 HydrophobicContact CB-CG 4.17Å; F223-L228 HydrophobicContact CD1-CD2 3.81Å; F223-L228 HydrophobicContact CG-CD1 4.24Å; F223-L228 HydrophobicContact CG-CD2 4.23Å; A225-L228 PolarHBondContact O-N 2.79Å; L228-L249 HydrophobicContact CB-CB 4.01Å; L228-L249 HydrophobicContact CB-CD2 4.12Å; L228-L249 HydrophobicContact CD1-CD2 3.88Å; L228-L249 PolarHBondContact O-N 2.88Å
229S97Very high92.3Very high4 Ų438.5 Ų38.53%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-120.6160.3160.5-63.40000109.5L102 K247L102-S229 PolarHBondContact N-O 2.79Å; L102-S229 PolarHBondContact O-N 2.87Å; S229-K247 CarbonylContact C-O 3.58Å; S229-K247 VanDerWaalsContact CA-O 3.3Å; S229-K247 WeakPolarHBondContact CA-O 3.39Å
230L96.5Very high92.7Very high0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-114.6134.5178.8-60.4179.3000108.5N94 L95 A98 S100 I101 I113 I232 E246 K247 L249N94-L230 HydrophobicContact CB-CD1 3.9Å; L95-L230 HydrophobicContact CD2-CD1 4.19Å; L95-L230 HydrophobicContact CD2-CD2 3.98Å; L95-L230 HydrophobicContact CG-CD1 4.32Å; A98-L230 HydrophobicContact CB-CB 3.97Å; A98-L230 HydrophobicContact CB-CD1 4.24Å; A98-L230 HydrophobicContact CB-CD2 4.11Å; A98-L230 HydrophobicContact CB-CG 4.34Å; S100-L230 WeakPolarHBondContact O-CA 3.5Å; I101-L230 HydrophobicContact CG1-CD2 4.36Å; I113-L230 HydrophobicContact CD1-CD2 4.13Å; L230-I232 HydrophobicContact CB-CD1 4.22Å; L230-I232 HydrophobicContact CB-CG1 4.16Å; L230-E246 WeakPolarHBondContact O-CA 3.43Å; L230-K247 PolarHBondContact N-O 3.33Å; L230-K247 PolarHBondContact O-N 3.15Å; L230-L249 HydrophobicContact CD1-CD1 3.8Å; L230-L249 HydrophobicContact CD2-CD1 4.34Å; L230-L249 HydrophobicContact CG-CB 4.41Å; L230-L249 HydrophobicContact CG-CD1 4.2Å
231L97.1Very high93Very high38 Ų3846 Ų4620%0.19924%0.238CC..EExtended strand (participates in β ladder)trans-92.9112167.2-168.570.7000108A98 D99 S100 L102 Y244 E246A98-L231 WeakPolarHBondContact CA-O 3.24Å; D99-L231 PolarHBondContact N-O 2.91Å; S100-L231 PolarHBondContact N-O 3.4Å; S100-L231 PolarHBondContact O-N 2.92Å; L102-L231 HydrophobicContact CD1-CB 4.05Å; L102-L231 HydrophobicContact CD1-CD1 4.25Å; L102-L231 HydrophobicContact CD2-CB 4.38Å; L102-L231 HydrophobicContact CG-CB 4.2Å; L231-Y244 HydrophobicContact CD1-CD1 4.31Å; L231-Y244 HydrophobicContact CD1-CG 4.27Å; L231-Y244 HydrophobicContact CD2-CD1 4.04Å; L231-Y244 HydrophobicContact CD2-CE1 4.42Å; L231-Y244 HydrophobicContact CD2-CG 4.31Å; L231-Y244 HydrophobicContact CG-CD1 3.76Å; L231-Y244 HydrophobicContact CG-CE1 4.47Å; L231-Y244 HydrophobicContact CG-CG 4.15Å; L231-E246 HydrophobicContact CD1-CG 3.93Å
232I94.3Very high93.1Very high12 Ų1250.4 Ų50.46%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-112.5133.4-175.7-65.8163.5000108.7N94 A97 A98 L230 E234 Y244 I245 K247N94-I232 HydrophobicContact CB-CD1 4.04Å; A97-I232 HydrophobicContact CB-CG2 4.18Å; A98-I232 HydrophobicContact CB-CG1 3.97Å; L230-I232 HydrophobicContact CB-CD1 4.22Å; L230-I232 HydrophobicContact CB-CG1 4.16Å; I232-E234 PolarHBondContact O-N 3.38Å; I232-Y244 WeakPolarHBondContact O-CA 3.42Å; I232-I245 HydrophobicContact CB-CG1 3.98Å; I232-I245 HydrophobicContact CG2-CG1 4.36Å; I232-I245 PolarHBondContact N-O 2.94Å; I232-I245 PolarHBondContact O-N 3.31Å; I232-K247 HydrophobicContact CD1-CB 4.38Å; I232-K247 HydrophobicContact CD1-CD 4.02Å
233R91.7Very high93.2Very high115 Ų11551.1 Ų51.143%0.43427%0.268SS..EExtended strand (participates in β ladder)trans-70.4124172-179.7175.7172.1167.71.2109.4N235 F241 Y244R233-N235 PolarHBondContact NE-OD1 3.05Å; R233-N235 VanDerWaalsContact NE-OD1 3.09Å; R233-F241 HydrophobicContact CG-CD2 3.64Å; R233-F241 HydrophobicContact CG-CE2 3.84Å; R233-Y244 HydrophobicContact CB-CD1 4.41Å; R233-Y244 HydrophobicContact CB-CE1 3.99Å
234E90.9Very high93.2Very high85 Ų8556.7 Ų56.740%0.39729%0.29SS..EExtended strand (participates in β ladder)trans-100.5132.1174.5-167.6170.6-142.400109.9I232 I242 G243 I245I232-E234 PolarHBondContact O-N 3.38Å; E234-I242 HydrophobicContact CG-CD1 4.44Å; E234-I242 PolarHBondContact O-N 2.98Å; E234-G243 PolarHBondContact N-O 2.97Å; E234-G243 PolarHBondContact O-N 2.74Å; E234-I245 HydrophobicContact CB-CG2 4.27Å; E234-I245 VanDerWaalsContact OE2-CG2 3.22Å; E234-I245 WeakPolarHBondContact OE2-CG2 3.4Å
235N90.3Very high93.2Very high73 Ų7358.2 Ų58.239%0.3930%0.299SS..EExtended strand (participates in β ladder)trans-120.8151.9173.8-53.1-48.9000109R233 D240R233-N235 PolarHBondContact NE-OD1 3.05Å; R233-N235 VanDerWaalsContact NE-OD1 3.09Å; N235-D240 CarbonylContact C-O 3.44Å; N235-D240 WeakPolarHBondContact CA-O 3.35Å; N235-D240 WeakPolarHBondContact CB-O 3.35Å
236D90.7Very high93.3Very high59 Ų5963.5 Ų63.532%0.31632%0.323SS..  trans-75.9-174.517667.714.1000112.4D238 G239 D240 I242D236-D238 PolarHBondContact O-N 3.17Å; D236-D238 WeakPolarHBondContact OD1-CA 3.41Å; D236-D238 WeakPolarHBondContact OD1-CB 3.42Å; D236-D238 PolarHBondContact OD1-N 3.1Å; D236-G239 PolarHBondContact O-N 2.79Å; D236-G239 VanDerWaalsContact O-N 3.1Å; D236-G239 PolarHBondContact OD1-N 3.37Å; D236-D240 PolarHBondContact N-O 2.76Å; D236-D240 PolarHBondContact OD1-N 3.11Å; D236-I242 HydrophobicContact CB-CD1 3.58Å; D236-I242 HydrophobicContact CB-CG1 3.73Å
237I90.5Very high93.2Very high168 Ų16867.3 Ų67.386%0.86234%0.34SS*.THydrogen-bonded Turntrans-64.2-24.2179.9-165.7163.9000112.9G239I237-G239 VanDerWaalsContact C-N 3.35Å
238D92.3Very high93.1Very high133 Ų13370 Ų7071%0.71136%0.357SS*.THydrogen-bonded Turntrans-88.5-9.1178.4-62.3-45.1000111.7D236D236-D238 PolarHBondContact O-N 3.17Å; D236-D238 WeakPolarHBondContact OD1-CA 3.41Å; D236-D238 WeakPolarHBondContact OD1-CB 3.42Å; D236-D238 PolarHBondContact OD1-N 3.1Å
239G89.1Confident92.9Very high45 Ų4570 Ų7046%0.46436%0.357SS..SBendtrans91.15.8-179.200000113.7D236 I237D236-G239 PolarHBondContact O-N 2.79Å; D236-G239 VanDerWaalsContact O-N 3.1Å; D236-G239 PolarHBondContact OD1-N 3.37Å; I237-G239 VanDerWaalsContact C-N 3.35Å
240D92.5Very high92.4Very high106 Ų10670.1 Ų70.157%0.56736%0.357SS*.  trans-77143.2178-74.1-29.9000110.9N235 D236 I242N235-D240 CarbonylContact C-O 3.44Å; N235-D240 WeakPolarHBondContact CA-O 3.35Å; N235-D240 WeakPolarHBondContact CB-O 3.35Å; D236-D240 PolarHBondContact N-O 2.76Å; D236-D240 PolarHBondContact OD1-N 3.11Å; D240-I242 PolarHBondContact O-N 3.36Å
241F93.1Very high91.9Very high102 Ų10274.5 Ų74.545%0.44739%0.393SS..EExtended strand (participates in β ladder)trans-66.8121.9-179.2172.9-108.6000111.3R233 G243 Y244R233-F241 HydrophobicContact CG-CD2 3.64Å; R233-F241 HydrophobicContact CG-CE2 3.84Å; F241-G243 VanDerWaalsContact CE2-C 3.47Å; F241-G243 WeakPolarHBondContact CE2-O 3.43Å; F241-G243 VanDerWaalsContact CZ-CA 3.45Å; F241-Y244 HydrophobicContact CE2-CD2 4.16Å; F241-Y244 AromaticContact CE2-CE2 3.94Å; F241-Y244 HydrophobicContact CE2-CE2 3.94Å; F241-Y244 AromaticContact CZ-CD2 3.87Å; F241-Y244 HydrophobicContact CZ-CD2 3.87Å; F241-Y244 AromaticContact CZ-CE2 3.7Å; F241-Y244 HydrophobicContact CZ-CE2 3.7Å
242I91.1Very high91.3Very high102 Ų10275.1 Ų75.152%0.52340%0.397SS..EExtended strand (participates in β ladder)trans-93.9-44.4174-56.7178.4000110.3E234 D236 D240E234-I242 HydrophobicContact CG-CD1 4.44Å; E234-I242 PolarHBondContact O-N 2.98Å; D236-I242 HydrophobicContact CB-CD1 3.58Å; D236-I242 HydrophobicContact CB-CG1 3.73Å; D240-I242 PolarHBondContact O-N 3.36Å
243G93.5Very high90.9Very high16 Ų1677.9 Ų77.917%0.16541%0.41CS..EExtended strand (participates in β ladder)trans166.6-163.2-170.400000113.4E234 F241E234-G243 PolarHBondContact N-O 2.97Å; E234-G243 PolarHBondContact O-N 2.74Å; F241-G243 VanDerWaalsContact CE2-C 3.47Å; F241-G243 WeakPolarHBondContact CE2-O 3.43Å; F241-G243 VanDerWaalsContact CZ-CA 3.45Å
244Y94.1Very high90.8Very high118 Ų11874.8 Ų74.846%0.46340%0.4SS..EExtended strand (participates in β ladder)trans-115.3140.6176.4-75-76.1000110.5D99 L231 I232 R233 F241D99-Y244 HydrophobicContact CB-CE1 4.34Å; D99-Y244 WeakPolarHBondContact OD2-CE1 3.28Å; D99-Y244 PolarHBondContact OD2-OH 2.72Å; L231-Y244 HydrophobicContact CD1-CD1 4.31Å; L231-Y244 HydrophobicContact CD1-CG 4.27Å; L231-Y244 HydrophobicContact CD2-CD1 4.04Å; L231-Y244 HydrophobicContact CD2-CE1 4.42Å; L231-Y244 HydrophobicContact CD2-CG 4.31Å; L231-Y244 HydrophobicContact CG-CD1 3.76Å; L231-Y244 HydrophobicContact CG-CE1 4.47Å; L231-Y244 HydrophobicContact CG-CG 4.15Å; I232-Y244 WeakPolarHBondContact O-CA 3.42Å; R233-Y244 HydrophobicContact CB-CD1 4.41Å; R233-Y244 HydrophobicContact CB-CE1 3.99Å; F241-Y244 HydrophobicContact CE2-CD2 4.16Å; F241-Y244 AromaticContact CE2-CE2 3.94Å; F241-Y244 HydrophobicContact CE2-CE2 3.94Å; F241-Y244 AromaticContact CZ-CD2 3.87Å; F241-Y244 HydrophobicContact CZ-CD2 3.87Å; F241-Y244 AromaticContact CZ-CE2 3.7Å; F241-Y244 HydrophobicContact CZ-CE2 3.7Å
245I93.9Very high90.5Very high41 Ų4172.1 Ų72.121%0.2139%0.388CS..EExtended strand (participates in β ladder)trans-117.9140.6172.159.5171.8000110.2I232 E234 K247I232-I245 HydrophobicContact CB-CG1 3.98Å; I232-I245 HydrophobicContact CG2-CG1 4.36Å; I232-I245 PolarHBondContact N-O 2.94Å; I232-I245 PolarHBondContact O-N 3.31Å; E234-I245 HydrophobicContact CB-CG2 4.27Å; E234-I245 VanDerWaalsContact OE2-CG2 3.22Å; E234-I245 WeakPolarHBondContact OE2-CG2 3.4Å; I245-K247 HydrophobicContact CD1-CD 4.23Å
246E93.6Very high90.4Very high111 Ų11168.7 Ų68.752%0.51937%0.37SS..EExtended strand (participates in β ladder)trans-96.2128.9173.6-64.9174.8-169.800109.2L102 Q107 L230 L231L102-E246 HydrophobicContact CD1-CG 3.96Å; Q107-E246 VanDerWaalsContact CD-OE2 3.27Å; Q107-E246 PolarHBondContact OE1-OE2 2.93Å; L230-E246 WeakPolarHBondContact O-CA 3.43Å; L231-E246 HydrophobicContact CD1-CG 3.93Å
247K92.9Very high90.5Very high85 Ų8566 Ų6637%0.3736%0.355SS..EExtended strand (participates in β ladder)trans-131.8130.7175.1-75.3-177.9172.1153.60110.2S229 L230 I232 I245 L249S229-K247 CarbonylContact C-O 3.58Å; S229-K247 VanDerWaalsContact CA-O 3.3Å; S229-K247 WeakPolarHBondContact CA-O 3.39Å; L230-K247 PolarHBondContact N-O 3.33Å; L230-K247 PolarHBondContact O-N 3.15Å; I232-K247 HydrophobicContact CD1-CB 4.38Å; I232-K247 HydrophobicContact CD1-CD 4.02Å; I245-K247 HydrophobicContact CD1-CD 4.23Å; K247-L249 PolarHBondContact O-N 3.38Å
248P92.5Very high90.5Very high56 Ų5658 Ų5836%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-52.9137.5166.7-24.434.2000110.3I250P248-I250 WeakPolarHBondContact CB-O 3.47Å; P248-I250 PolarHBondContact O-N 3.02Å
249L92.4Very high90.3Very high2 Ų251.8 Ų51.81%0.0128%0.281CS..SBendtrans-59.4-40.3177.2174.859.4000110.4I91 L95 F175 L180 A225 L228 L230 K247I91-L249 HydrophobicContact CG2-CD1 3.65Å; L95-L249 HydrophobicContact CD1-CD1 4.11Å; L95-L249 HydrophobicContact CD2-CD1 3.69Å; L95-L249 HydrophobicContact CG-CD1 3.77Å; F175-L249 HydrophobicContact CD2-CD2 4.35Å; F175-L249 HydrophobicContact CE2-CD2 3.89Å; F175-L249 HydrophobicContact CE2-CG 4.26Å; L180-L249 HydrophobicContact CB-CD2 4.48Å; L180-L249 HydrophobicContact CD2-CD2 4.32Å; A225-L249 HydrophobicContact CB-CD2 3.9Å; L228-L249 HydrophobicContact CB-CB 4.01Å; L228-L249 HydrophobicContact CB-CD2 4.12Å; L228-L249 HydrophobicContact CD1-CD2 3.88Å; L228-L249 PolarHBondContact O-N 2.88Å; L230-L249 HydrophobicContact CD1-CD1 3.8Å; L230-L249 HydrophobicContact CD2-CD1 4.34Å; L230-L249 HydrophobicContact CG-CB 4.41Å; L230-L249 HydrophobicContact CG-CD1 4.2Å; K247-L249 PolarHBondContact O-N 3.38Å
250I88.1Confident90.3Very high6 Ų649.8 Ų49.83%0.03126%0.26CS..SBendtrans-115.3111.3169.1-56.6175.8000108I91 G177 A225 P248 D252 F256I91-I250 HydrophobicContact CD1-CG1 4.38Å; G177-I250 WeakPolarHBondContact O-CD1 3.48Å; A225-I250 HydrophobicContact CB-CD1 3.56Å; A225-I250 HydrophobicContact CB-CG1 4.2Å; P248-I250 WeakPolarHBondContact CB-O 3.47Å; P248-I250 PolarHBondContact O-N 3.02Å; I250-D252 VanDerWaalsContact CG2-O 3.28Å; I250-D252 WeakPolarHBondContact CG2-O 3.14Å; I250-F256 HydrophobicContact CD1-CB 4.03Å; I250-F256 HydrophobicContact CD1-CD2 3.51Å; I250-F256 HydrophobicContact CD1-CE2 4.45Å; I250-F256 HydrophobicContact CD1-CG 4.21Å; I250-F256 HydrophobicContact CG2-CB 4.22Å
251A84.7Confident90.2Very high92 Ų9244.7 Ų44.776%0.7623%0.233SC*.SBendtrans-76.7-34.2-179.800000112.7
252D85.2Confident89.9Confident50 Ų5040 Ų4027%0.26721%0.212SC..  trans-107.3100.8179.7-167.3-16.5000109.9K87 I250 M254 E255 F256K87-D252 IonicContact NZ-OD2 3.17Å; K87-D252 PolarHBondContact NZ-OD2 3.42Å; I250-D252 VanDerWaalsContact CG2-O 3.28Å; I250-D252 WeakPolarHBondContact CG2-O 3.14Å; D252-M254 PolarHBondContact O-N 3.27Å; D252-M254 VanDerWaalsContact OD1-CB 3.3Å; D252-M254 WeakPolarHBondContact OD1-CB 3.1Å; D252-M254 PolarHBondContact OD1-N 2.85Å; D252-M254 VanDerWaalsContact OD1-N 3.15Å; D252-E255 HydrophobicContact CB-CB 4.46Å; D252-E255 HydrophobicContact CB-CG 3.98Å; D252-E255 WeakPolarHBondContact O-CB 3.22Å; D252-E255 PolarHBondContact O-N 3.15Å; D252-F256 PolarHBondContact O-N 3.27Å
253E86.9Confident89.6Confident71 Ų7135.1 Ų35.133%0.33219%0.187SC..Hα-helixtrans-62.8-24.3-178.9-63.3-171.4152.900112.7K104 E255 F256 Y257K104-E253 IonicContact NZ-OE1 2.56Å; K104-E253 PolarHBondContact NZ-OE1 2.74Å; E253-E255 PolarHBondContact O-N 3.35Å; E253-F256 WeakPolarHBondContact O-CB 3.31Å; E253-F256 PolarHBondContact O-N 3.27Å; E253-Y257 HydrophobicContact CB-CD2 4.48Å; E253-Y257 HydrophobicContact CB-CE2 3.9Å; E253-Y257 WeakPolarHBondContact O-CD2 3.37Å; E253-Y257 WeakPolarHBondContact O-CE2 3.33Å; E253-Y257 PolarHBondContact O-N 2.82Å; E253-Y257 VanDerWaalsContact O-N 3.08Å
254M88.3Confident89.3Confident49 Ų4934.4 Ų34.424%0.24118%0.18CC..Hα-helixtrans-64.8-31.6176.7-60.1-61.8150.100111.3D252 Y257 G258 C382 F386 P410D252-M254 PolarHBondContact O-N 3.27Å; D252-M254 VanDerWaalsContact OD1-CB 3.3Å; D252-M254 WeakPolarHBondContact OD1-CB 3.1Å; D252-M254 PolarHBondContact OD1-N 2.85Å; D252-M254 VanDerWaalsContact OD1-N 3.15Å; M254-Y257 PolarHBondContact O-N 2.92Å; M254-G258 PolarHBondContact O-N 3.49Å; M254-C382 HydrophobicContact CE-CB 4.08Å; M254-C382 HydrophobicContact SD-CB 3.78Å; M254-F386 HydrophobicContact SD-CE2 3.88Å; M254-P410 HydrophobicContact CB-CG 4.06Å
255E83.9Confident88.9Confident30 Ų3029.2 Ų29.214%0.1416%0.16CC..Hα-helixtrans-72-32.5172.7-62.4-171.1160.300112.2K87 D252 E253 L259 I412K87-E255 VanDerWaalsContact CB-OE1 3.3Å; K87-E255 WeakPolarHBondContact CB-OE1 3.31Å; K87-E255 WeakPolarHBondContact CB-OE2 3.49Å; K87-E255 WeakPolarHBondContact CD-OE1 3.28Å; K87-E255 IonicContact NZ-OE1 2.63Å; D252-E255 HydrophobicContact CB-CB 4.46Å; D252-E255 HydrophobicContact CB-CG 3.98Å; D252-E255 WeakPolarHBondContact O-CB 3.22Å; D252-E255 PolarHBondContact O-N 3.15Å; E253-E255 PolarHBondContact O-N 3.35Å; E255-L259 VanDerWaalsContact O-CB 3.25Å; E255-L259 WeakPolarHBondContact O-CB 3.32Å; E255-L259 PolarHBondContact O-N 2.88Å; E255-L259 VanDerWaalsContact O-N 3.12Å; E255-I412 VanDerWaalsContact C-CD1 3.45Å; E255-I412 VanDerWaalsContact CA-CD1 3.41Å; E255-I412 HydrophobicContact CB-CD1 3.98Å; E255-I412 WeakPolarHBondContact O-CD1 3.45Å
256F89.4Confident88.4Confident1 Ų132.9 Ų32.90%0.00417%0.171CC..Hα-helixtrans-63-47.2172.2175.2-92.4000110.7L178 W224 N226 I250 D252 E253 L259 L260 T375L178-F256 HydrophobicContact CB-CE2 4.27Å; L178-F256 HydrophobicContact CD2-CD2 3.73Å; L178-F256 HydrophobicContact CD2-CE2 3.65Å; L178-F256 HydrophobicContact CD2-CG 4.34Å; L178-F256 HydrophobicContact CD2-CZ 4.11Å; L178-F256 WeakPolarHBondContact CD2-O 3.44Å; W224-F256 HydrophobicContact CE3-CE2 4.43Å; W224-F256 AromaticContact CE3-CZ 3.98Å; W224-F256 HydrophobicContact CE3-CZ 3.98Å; W224-F256 HydrophobicContact CZ3-CZ 4.32Å; N226-F256 HydrophobicContact CB-CB 4.43Å; N226-F256 HydrophobicContact CB-CD1 4.11Å; N226-F256 HydrophobicContact CB-CD2 3.78Å; N226-F256 HydrophobicContact CB-CE1 4.32Å; N226-F256 HydrophobicContact CB-CE2 3.94Å; N226-F256 HydrophobicContact CB-CG 3.84Å; N226-F256 HydrophobicContact CB-CZ 4.21Å; N226-F256 WeakPolarHBondContact OD1-CZ 3.46Å; I250-F256 HydrophobicContact CD1-CB 4.03Å; I250-F256 HydrophobicContact CD1-CD2 3.51Å; I250-F256 HydrophobicContact CD1-CE2 4.45Å; I250-F256 HydrophobicContact CD1-CG 4.21Å; I250-F256 HydrophobicContact CG2-CB 4.22Å; D252-F256 PolarHBondContact O-N 3.27Å; E253-F256 WeakPolarHBondContact O-CB 3.31Å; E253-F256 PolarHBondContact O-N 3.27Å; F256-L259 PolarHBondContact O-N 3.26Å; F256-L260 WeakPolarHBondContact O-CB 3.44Å; F256-L260 PolarHBondContact O-N 3.4Å; F256-T375 HydrophobicContact CE1-CG2 3.55Å; F256-T375 HydrophobicContact CZ-CG2 4.01Å
257Y92.5Very high87.6Confident2 Ų228.6 Ų28.61%0.00815%0.152CC..Hα-helixtrans-71.1-36.7-177.3-60.9-52000114.1E253 M254 L259 L260 V261 T375 G378 F379 C382E253-Y257 HydrophobicContact CB-CD2 4.48Å; E253-Y257 HydrophobicContact CB-CE2 3.9Å; E253-Y257 WeakPolarHBondContact O-CD2 3.37Å; E253-Y257 WeakPolarHBondContact O-CE2 3.33Å; E253-Y257 PolarHBondContact O-N 2.82Å; E253-Y257 VanDerWaalsContact O-N 3.08Å; M254-Y257 PolarHBondContact O-N 2.92Å; Y257-L259 VanDerWaalsContact C-N 3.3Å; Y257-L260 WeakPolarHBondContact O-CB 3.32Å; Y257-L260 PolarHBondContact O-N 2.65Å; Y257-V261 PolarHBondContact O-N 2.94Å; Y257-V261 VanDerWaalsContact O-N 3.15Å; Y257-T375 HydrophobicContact CE1-CG2 4.18Å; Y257-T375 PolarHBondContact OH-O 3.22Å; Y257-G378 WeakPolarHBondContact CE2-O 3.45Å; Y257-G378 WeakPolarHBondContact OH-CA 3.35Å; Y257-F379 HydrophobicContact CD1-CB 3.68Å; Y257-F379 AromaticContact CD1-CD2 3.36Å; Y257-F379 HydrophobicContact CD1-CD2 3.36Å; Y257-F379 HydrophobicContact CD1-CE2 4.3Å; Y257-F379 AromaticContact CD1-CG 3.87Å; Y257-F379 HydrophobicContact CD1-CG 3.87Å; Y257-F379 HydrophobicContact CE1-CB 3.49Å; Y257-F379 VanDerWaalsContact CE1-CB 3.49Å; Y257-F379 HydrophobicContact CE1-CD2 4.11Å; Y257-F379 HydrophobicContact CE1-CG 4.2Å; Y257-F379 HydrophobicContact CG-CB 4.46Å; Y257-F379 AromaticContact CG-CD2 3.63Å; Y257-F379 HydrophobicContact CG-CD2 3.63Å; Y257-F379 HydrophobicContact CG-CE2 4.4Å; Y257-F379 HydrophobicContact CG-CG 4.5Å; Y257-F379 PolarHBondContact OH-N 2.92Å; Y257-C382 HydrophobicContact CD2-CB 3.64Å; Y257-C382 HydrophobicContact CE2-CB 4.16Å; Y257-C382 HydrophobicContact CG-CB 4.28Å
258G90.7Very high87.1Confident1 Ų128.4 Ų28.41%0.0116%0.157CC..Hα-helixtrans-63.5-38.2172.500000111.8M254 D262 P410 I412M254-G258 PolarHBondContact O-N 3.49Å; G258-D262 WeakPolarHBondContact O-CB 3.38Å; G258-D262 PolarHBondContact O-N 3.18Å; G258-P410 WeakPolarHBondContact CA-O 3.41Å; G258-I412 VanDerWaalsContact C-CD1 3.48Å
259L87Confident86.8Confident1 Ų126.2 Ų26.21%0.00514%0.142CC..Hα-helixtrans-72.4-36.4179.7-176.362.4000111.1F122 L178 E255 F256 Y257 D262 N263 I412 L414F122-L259 HydrophobicContact CB-CD1 4.47Å; F122-L259 HydrophobicContact CD1-CD2 4.2Å; L178-L259 HydrophobicContact CD2-CB 4.14Å; L178-L259 HydrophobicContact CD2-CD2 4.22Å; L178-L259 HydrophobicContact CD2-CG 4.14Å; L178-L259 HydrophobicContact CG-CD2 4.16Å; L178-L259 HydrophobicContact CG-CG 4.18Å; E255-L259 VanDerWaalsContact O-CB 3.25Å; E255-L259 WeakPolarHBondContact O-CB 3.32Å; E255-L259 PolarHBondContact O-N 2.88Å; E255-L259 VanDerWaalsContact O-N 3.12Å; F256-L259 PolarHBondContact O-N 3.26Å; Y257-L259 VanDerWaalsContact C-N 3.3Å; L259-D262 PolarHBondContact O-N 3.03Å; L259-N263 WeakPolarHBondContact CD1-ND2 3.48Å; L259-N263 WeakPolarHBondContact O-CB 3.31Å; L259-N263 PolarHBondContact O-N 2.83Å; L259-N263 PolarHBondContact O-ND2 2.86Å; L259-I412 HydrophobicContact CB-CD1 3.83Å; L259-L414 HydrophobicContact CD1-CD1 4.25Å; L259-L414 HydrophobicContact CD1-CD2 4.02Å; L259-L414 HydrophobicContact CD1-CG 4.42Å
260L89.7Confident86.7Confident3 Ų330.8 Ų30.82%0.01616%0.16CC..Hα-helixtrans-55.9-57.5174.117563.2000109.4F125 L178 F256 Y257 D262 N263 L264 M371F125-L260 HydrophobicContact CE2-CD1 4.14Å; F125-L260 HydrophobicContact CZ-CD1 3.58Å; L178-L260 HydrophobicContact CD1-CB 4.46Å; L178-L260 HydrophobicContact CD1-CD1 4.16Å; L178-L260 HydrophobicContact CD2-CB 3.94Å; F256-L260 WeakPolarHBondContact O-CB 3.44Å; F256-L260 PolarHBondContact O-N 3.4Å; Y257-L260 WeakPolarHBondContact O-CB 3.32Å; Y257-L260 PolarHBondContact O-N 2.65Å; L260-D262 VanDerWaalsContact C-N 3.35Å; L260-D262 PolarHBondContact O-N 3.33Å; L260-N263 PolarHBondContact O-N 2.82Å; L260-L264 HydrophobicContact CG-CD1 4.41Å; L260-L264 VanDerWaalsContact O-CG 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.14Å; L260-L264 PolarHBondContact O-N 2.85Å; L260-M371 HydrophobicContact CD1-SD 4.32Å; L260-M371 HydrophobicContact CD2-CE 3.68Å; L260-M371 HydrophobicContact CD2-SD 3.66Å
261V91.2Very high86.9Confident0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-64.5-36.9-178.8172.40000112.6Y257 L264 I265 L290 V338 F379 V409Y257-V261 PolarHBondContact O-N 2.94Å; Y257-V261 VanDerWaalsContact O-N 3.15Å; V261-L264 PolarHBondContact O-N 2.79Å; V261-I265 HydrophobicContact CG1-CD1 3.86Å; V261-I265 WeakPolarHBondContact O-CG1 3.48Å; V261-I265 PolarHBondContact O-N 2.98Å; V261-I265 VanDerWaalsContact O-N 3.1Å; V261-L290 HydrophobicContact CG1-CD1 4.35Å; V261-L290 HydrophobicContact CG1-CD2 4.1Å; V261-V338 HydrophobicContact CG1-CG2 4.27Å; V261-V338 HydrophobicContact CG2-CG2 4.49Å; V261-F379 HydrophobicContact CG2-CE2 4.16Å; V261-F379 HydrophobicContact CG2-CZ 3.94Å; V261-V409 HydrophobicContact CB-CG2 3.8Å; V261-V409 HydrophobicContact CG1-CG2 3.77Å; V261-V409 HydrophobicContact CG2-CB 4.49Å; V261-V409 HydrophobicContact CG2-CG1 4.13Å; V261-V409 HydrophobicContact CG2-CG2 3.87Å
262D86.5Confident87.2Confident2 Ų228.8 Ų28.81%0.01113%0.133CC..Hα-helixtrans-61.5-44.8175.8-164.868.3000111.7G258 L259 L260 I265 R266 R336G258-D262 WeakPolarHBondContact O-CB 3.38Å; G258-D262 PolarHBondContact O-N 3.18Å; L259-D262 PolarHBondContact O-N 3.03Å; L260-D262 VanDerWaalsContact C-N 3.35Å; L260-D262 PolarHBondContact O-N 3.33Å; D262-I265 PolarHBondContact O-N 3.05Å; D262-R266 WeakPolarHBondContact O-CG 3.45Å; D262-R266 PolarHBondContact O-N 2.81Å; D262-R266 IonicContact OD2-CZ 2.78Å; D262-R266 IonicContact OD2-NE 3.27Å; D262-R266 PolarHBondContact OD2-NE 3.4Å; D262-R266 IonicContact OD2-NH2 3.85Å; D262-R266 PolarHBondContact OD2-NH2 2.89Å; D262-R336 IonicContact OD1-CZ 3.32Å; D262-R336 IonicContact OD1-NE 3.18Å; D262-R336 PolarHBondContact OD1-NE 2.76Å; D262-R336 IonicContact OD1-NH2 3.95Å; D262-R336 PolarHBondContact OD1-NH2 3.28Å
263N84.5Confident87.4Confident0 Ų026.5 Ų26.50%012%0.121CC..Hα-helixtrans-62.3-45.5176.2-87.9-82.5000111.5F122 Q123 F125 L178 L259 L260 I265 R266 N267F122-N263 PolarHBondContact O-ND2 2.78Å; F122-N263 VanDerWaalsContact O-ND2 3.12Å; F122-N263 PolarHBondContact O-OD1 3.15Å; Q123-N263 PolarHBondContact O-OD1 2.69Å; F125-N263 HydrophobicContact CD2-CB 3.81Å; F125-N263 HydrophobicContact CE2-CB 3.79Å; L178-N263 HydrophobicContact CD1-CB 4.17Å; L259-N263 WeakPolarHBondContact CD1-ND2 3.48Å; L259-N263 WeakPolarHBondContact O-CB 3.31Å; L259-N263 PolarHBondContact O-N 2.83Å; L259-N263 PolarHBondContact O-ND2 2.86Å; L260-N263 PolarHBondContact O-N 2.82Å; N263-I265 VanDerWaalsContact C-N 3.31Å; N263-I265 PolarHBondContact O-N 2.85Å; N263-R266 PolarHBondContact O-N 2.83Å; N263-N267 VanDerWaalsContact O-CB 3.32Å; N263-N267 WeakPolarHBondContact O-CB 3.43Å; N263-N267 PolarHBondContact O-N 3.09Å; N263-N267 PolarHBondContact O-ND2 2.87Å
264L87.2Confident87.6Confident2 Ų223.2 Ų23.21%0.0111%0.105CC..Hα-helixtrans-55.2-47.1177.1-62.2175.9000112F125 L260 V261 N267 T268 Q269 V272 L290 I369F125-L264 HydrophobicContact CE2-CD2 4.01Å; F125-L264 HydrophobicContact CZ-CD2 4.34Å; L260-L264 HydrophobicContact CG-CD1 4.41Å; L260-L264 VanDerWaalsContact O-CG 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.14Å; L260-L264 PolarHBondContact O-N 2.85Å; V261-L264 PolarHBondContact O-N 2.79Å; L264-N267 CarbonylContact O-C 3.42Å; L264-N267 PolarHBondContact O-N 2.92Å; L264-T268 PolarHBondContact O-N 3.21Å; L264-Q269 HydrophobicContact CB-CB 4.3Å; L264-Q269 HydrophobicContact CD2-CB 4.37Å; L264-Q269 WeakPolarHBondContact O-CA 3.38Å; L264-Q269 WeakPolarHBondContact O-CB 3.37Å; L264-Q269 PolarHBondContact O-N 2.82Å; L264-V272 HydrophobicContact CD1-CG2 4.27Å; L264-L290 HydrophobicContact CB-CD1 3.52Å; L264-L290 HydrophobicContact CD1-CD1 3.83Å; L264-L290 HydrophobicContact CG-CD1 4.3Å; L264-I369 HydrophobicContact CD1-CD1 4.28Å; L264-I369 HydrophobicContact CD2-CD1 3.16Å; L264-I369 HydrophobicContact CG-CD1 4.32Å
265I86.4Confident87.6Confident9 Ų921 Ų215%0.0469%0.094CC..Hα-helixtrans-65.9-47179.9-71.3167.6000111.6V261 D262 N263 N267 T268 Y270 L290 D292V261-I265 HydrophobicContact CG1-CD1 3.86Å; V261-I265 WeakPolarHBondContact O-CG1 3.48Å; V261-I265 PolarHBondContact O-N 2.98Å; V261-I265 VanDerWaalsContact O-N 3.1Å; D262-I265 PolarHBondContact O-N 3.05Å; N263-I265 VanDerWaalsContact C-N 3.31Å; N263-I265 PolarHBondContact O-N 2.85Å; I265-N267 PolarHBondContact O-N 3.07Å; I265-N267 VanDerWaalsContact O-N 3.15Å; I265-T268 PolarHBondContact O-N 2.94Å; I265-Y270 HydrophobicContact CG2-CE1 4.28Å; I265-L290 HydrophobicContact CD1-CB 4.27Å; I265-L290 HydrophobicContact CG1-CB 3.93Å; I265-L290 HydrophobicContact CG1-CD1 4.07Å; I265-D292 HydrophobicContact CD1-CB 4.5Å; I265-D292 HydrophobicContact CG2-CB 3.89Å; I265-D292 WeakPolarHBondContact CG2-OD1 3.44Å
266R82.2Confident88Confident117 Ų11719.5 Ų19.544%0.4429%0.088SC..Hα-helixtrans-57-30.6177-75.5-176.4-171.1-127.90.1112.1D262 N263 T268D262-R266 WeakPolarHBondContact O-CG 3.45Å; D262-R266 PolarHBondContact O-N 2.81Å; D262-R266 IonicContact OD2-CZ 2.78Å; D262-R266 IonicContact OD2-NE 3.27Å; D262-R266 PolarHBondContact OD2-NE 3.4Å; D262-R266 IonicContact OD2-NH2 3.85Å; D262-R266 PolarHBondContact OD2-NH2 2.89Å; N263-R266 PolarHBondContact O-N 2.83Å; R266-T268 VanDerWaalsContact C-N 3.31Å
267N77.6Confident88.1Confident22 Ų2219.7 Ų19.712%0.1189%0.088CC..THydrogen-bonded Turntrans-92.812.7179.9-60.4-35.9000113F161 N263 L264 I265 Q269F161-N267 WeakPolarHBondContact CE1-OD1 3.49Å; F161-N267 HydrophobicContact CZ-CB 4.14Å; F161-N267 VanDerWaalsContact CZ-ND2 3.25Å; F161-N267 WeakPolarHBondContact CZ-ND2 3.23Å; F161-N267 WeakPolarHBondContact CZ-OD1 3.44Å; N263-N267 VanDerWaalsContact O-CB 3.32Å; N263-N267 WeakPolarHBondContact O-CB 3.43Å; N263-N267 PolarHBondContact O-N 3.09Å; N263-N267 PolarHBondContact O-ND2 2.87Å; L264-N267 CarbonylContact O-C 3.42Å; L264-N267 PolarHBondContact O-N 2.92Å; I265-N267 PolarHBondContact O-N 3.07Å; I265-N267 VanDerWaalsContact O-N 3.15Å; N267-Q269 HydrophobicContact CB-CG 4.19Å; N267-Q269 PolarHBondContact O-N 2.84Å; N267-Q269 VanDerWaalsContact O-N 3.15Å
268T83.2Confident88Confident80 Ų8021 Ų2149%0.49110%0.097SC..THydrogen-bonded Turntrans60.420.8179.168.60000114.7L264 I265 R266 Y270L264-T268 PolarHBondContact O-N 3.21Å; I265-T268 PolarHBondContact O-N 2.94Å; R266-T268 VanDerWaalsContact C-N 3.31Å; T268-Y270 HydrophobicContact CG2-CE2 4.37Å; T268-Y270 WeakPolarHBondContact O-CD2 3.22Å; T268-Y270 PolarHBondContact O-N 2.88Å; T268-Y270 VanDerWaalsContact O-N 3.16Å
269Q86.2Confident88Confident10 Ų1024.7 Ų24.75%0.04711%0.11CC..  trans-88.576.8179.2-60.2177.3-12.500109.8L264 N267 L290 T367L264-Q269 HydrophobicContact CB-CB 4.3Å; L264-Q269 HydrophobicContact CD2-CB 4.37Å; L264-Q269 WeakPolarHBondContact O-CA 3.38Å; L264-Q269 WeakPolarHBondContact O-CB 3.37Å; L264-Q269 PolarHBondContact O-N 2.82Å; N267-Q269 HydrophobicContact CB-CG 4.19Å; N267-Q269 PolarHBondContact O-N 2.84Å; N267-Q269 VanDerWaalsContact O-N 3.15Å; Q269-L290 WeakPolarHBondContact O-CD1 3.44Å; Q269-T367 HydrophobicContact CG-CG2 4.23Å; Q269-T367 WeakPolarHBondContact CG-OG1 3.46Å
270Y90.2Very high88Confident98 Ų9831 Ų3138%0.38415%0.145SC..  trans-85.7-20-172.5-58-67.7000114.7I265 T268 W289 L290 D292I265-Y270 HydrophobicContact CG2-CE1 4.28Å; T268-Y270 HydrophobicContact CG2-CE2 4.37Å; T268-Y270 WeakPolarHBondContact O-CD2 3.22Å; T268-Y270 PolarHBondContact O-N 2.88Å; T268-Y270 VanDerWaalsContact O-N 3.16Å; Y270-W289 CarbonylContact O-C 3.17Å; Y270-W289 WeakPolarHBondContact O-CA 3.44Å; Y270-L290 WeakPolarHBondContact CD1-O 3.48Å; Y270-L290 PolarHBondContact O-N 2.83Å; Y270-D292 HydrophobicContact CE1-CB 4.33Å
271R90.6Very high87.9Confident55 Ų5532.5 Ų32.521%0.20816%0.16CC..EExtended strand (participates in β ladder)trans-125.6124.5176.2-63-177.3-56.8171.93.2108.7L288 W289 W360 D363 G365 V366 T367R271-L288 WeakPolarHBondContact CA-O 3.32Å; R271-W289 HydrophobicContact CG-CD2 4.43Å; R271-W289 HydrophobicContact CG-CG 4.47Å; R271-W360 HydrophobicContact CB-CE3 4.45Å; R271-W360 HydrophobicContact CB-CH2 4.21Å; R271-W360 HydrophobicContact CB-CZ3 3.96Å; R271-W360 HydrophobicContact CG-CH2 4.34Å; R271-D363 IonicContact CZ-OD1 2.97Å; R271-D363 IonicContact CZ-OD2 2.74Å; R271-D363 IonicContact NH1-OD1 3.77Å; R271-D363 IonicContact NH1-OD2 2.69Å; R271-D363 PolarHBondContact NH1-OD2 2.8Å; R271-D363 IonicContact NH2-OD1 2.72Å; R271-D363 PolarHBondContact NH2-OD1 2.84Å; R271-D363 IonicContact NH2-OD2 3.87Å; R271-D363 PolarHBondContact NH2-OD2 2.93Å; R271-G365 PolarHBondContact NE-O 3.17Å; R271-G365 VanDerWaalsContact NH2-CA 3.26Å; R271-G365 PolarHBondContact NH2-O 2.83Å; R271-G365 VanDerWaalsContact NH2-O 3.12Å; R271-V366 HydrophobicContact CB-CG2 4.04Å; R271-V366 WeakPolarHBondContact O-CA 3.39Å; R271-T367 PolarHBondContact O-N 2.72Å
272V91Very high87.7Confident1 Ų136.6 Ų36.61%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-133.3131-170.9-176.20000110.6L264 L288 T367 I369L264-V272 HydrophobicContact CD1-CG2 4.27Å; V272-L288 HydrophobicContact CB-CB 4.14Å; V272-L288 HydrophobicContact CB-CD1 4.33Å; V272-L288 HydrophobicContact CG1-CD1 4.48Å; V272-L288 PolarHBondContact N-O 2.83Å; V272-L288 PolarHBondContact O-N 2.85Å; V272-T367 CarbonylContact C-O 3.49Å; V272-T367 VanDerWaalsContact CA-O 3.23Å; V272-T367 WeakPolarHBondContact CA-O 3.44Å; V272-I369 HydrophobicContact CG1-CB 4.13Å; V272-I369 HydrophobicContact CG1-CD1 3.74Å; V272-I369 HydrophobicContact CG1-CG1 3.77Å
273I90.2Very high87.8Confident3 Ų340.2 Ų40.22%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-89.3118.7159.4-61.9165.7000106.6L287 W360 R361 V366 T367 L368 I369I273-L287 HydrophobicContact CB-CD2 4.43Å; I273-L287 HydrophobicContact CG1-CD2 3.74Å; I273-W360 HydrophobicContact CD1-CB 4.04Å; I273-W360 HydrophobicContact CG1-CB 4.32Å; I273-W360 HydrophobicContact CG1-CE3 4.33Å; I273-R361 HydrophobicContact CD1-CB 4.42Å; I273-R361 HydrophobicContact CD1-CG 3.59Å; I273-V366 HydrophobicContact CD1-CG1 3.8Å; I273-V366 HydrophobicContact CG1-CG1 3.68Å; I273-T367 PolarHBondContact N-O 3.04Å; I273-L368 HydrophobicContact CB-CD1 3.77Å; I273-L368 HydrophobicContact CG2-CD1 3.61Å; I273-I369 PolarHBondContact O-N 2.85Å
274L91.6Very high88Confident2 Ų242.4 Ų42.41%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-95.2119.1170.2177.857.6000108.9F285 M286 I369 M371 C376 F379L274-F285 HydrophobicContact CD2-CD1 4.2Å; L274-F285 WeakPolarHBondContact O-CA 3.23Å; L274-F285 VanDerWaalsContact O-CB 3.31Å; L274-F285 WeakPolarHBondContact O-CB 3.3Å; L274-F285 PolarHBondContact O-N 3.32Å; L274-M286 HydrophobicContact CB-CB 4.3Å; L274-M286 PolarHBondContact N-O 3.05Å; L274-M286 PolarHBondContact O-N 2.87Å; L274-M286 VanDerWaalsContact O-N 3.09Å; L274-I369 HydrophobicContact CD1-CB 4.48Å; L274-I369 HydrophobicContact CD1-CG2 4.36Å; L274-M371 HydrophobicContact CD1-CB 4.08Å; L274-M371 HydrophobicContact CD1-CE 3.3Å; L274-M371 HydrophobicContact CD1-CG 3.82Å; L274-M371 HydrophobicContact CD1-SD 4.31Å; L274-M371 HydrophobicContact CD2-CE 3.52Å; L274-M371 HydrophobicContact CG-CE 4.04Å; L274-C376 HydrophobicContact CD2-CB 4.46Å; L274-F379 HydrophobicContact CD2-CD1 3.98Å
275S88.8Confident88.2Confident1 Ų142.7 Ų42.71%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-110.3137.6170.6-49.80000110.6L283 D284 L368 I369 H370 M371S275-L283 CarbonylContact C-O 3.57Å; S275-L283 WeakPolarHBondContact CA-O 3.43Å; S275-L283 WeakPolarHBondContact CB-O 3.16Å; S275-D284 PolarHBondContact OG-OD1 3.18Å; S275-L368 WeakPolarHBondContact OG-CD1 3.34Å; S275-I369 PolarHBondContact N-O 3.18Å; S275-H370 WeakPolarHBondContact O-CA 3.47Å; S275-M371 PolarHBondContact O-N 3.18Å
276A91.5Very high88.5Confident0 Ų042.2 Ų42.20%021%0.211CC..EExtended strand (participates in β ladder)trans-87.4132176.500000111.3L282 L283 F285 M371 W373 C376A276-L282 WeakPolarHBondContact O-CA 3.11Å; A276-L283 PolarHBondContact N-O 3.46Å; A276-L283 PolarHBondContact O-N 3.37Å; A276-F285 HydrophobicContact CB-CB 4.18Å; A276-F285 HydrophobicContact CB-CD2 3.95Å; A276-F285 HydrophobicContact CB-CG 4.38Å; A276-M371 CarbonylContact C-O 3.48Å; A276-M371 WeakPolarHBondContact CA-O 3.43Å; A276-W373 HydrophobicContact CB-CE3 3.65Å; A276-W373 HydrophobicContact CB-CZ3 4.34Å; A276-C376 HydrophobicContact CB-CB 4.19Å
277I91.5Very high89Confident4 Ų436.7 Ų36.72%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-85.5119.8172.5-53.4159.5000108F199 A208 L282 H370 M371 W373F199-I277 HydrophobicContact CB-CG2 4.09Å; F199-I277 HydrophobicContact CD1-CD1 3.4Å; F199-I277 VanDerWaalsContact CD1-CD1 3.4Å; F199-I277 HydrophobicContact CD1-CG1 4.27Å; F199-I277 HydrophobicContact CD2-CD1 4.37Å; F199-I277 HydrophobicContact CD2-CG1 4.38Å; F199-I277 HydrophobicContact CD2-CG2 4.32Å; F199-I277 HydrophobicContact CE1-CD1 3.49Å; F199-I277 VanDerWaalsContact CE1-CD1 3.49Å; F199-I277 HydrophobicContact CE1-CG1 4.3Å; F199-I277 HydrophobicContact CE2-CD1 4.44Å; F199-I277 HydrophobicContact CE2-CG1 4.42Å; F199-I277 HydrophobicContact CG-CD1 3.88Å; F199-I277 HydrophobicContact CG-CG1 4.31Å; F199-I277 HydrophobicContact CG-CG2 4.1Å; F199-I277 HydrophobicContact CZ-CD1 4.04Å; F199-I277 HydrophobicContact CZ-CG1 4.39Å; A208-I277 HydrophobicContact CB-CB 3.85Å; A208-I277 HydrophobicContact CB-CG2 3.58Å; I277-L282 HydrophobicContact CB-CD2 4.3Å; I277-L282 HydrophobicContact CG1-CD2 3.73Å; I277-H370 HydrophobicContact CD1-CB 3.96Å; I277-H370 HydrophobicContact CG1-CB 3.96Å; I277-M371 PolarHBondContact N-O 3.35Å; I277-W373 PolarHBondContact O-N 2.75Å; I277-W373 VanDerWaalsContact O-N 3.15Å
278T90.5Very high89.9Confident31 Ų3135.8 Ų35.819%0.1919%0.186CC..  trans-115.5176.8171.574.20000110.2H201 D280 G281 L283 W373H201-T278 PolarHBondContact NE2-O 3.07Å; T278-D280 VanDerWaalsContact C-N 3.26Å; T278-D280 PolarHBondContact OG1-N 3.16Å; T278-G281 WeakPolarHBondContact CB-O 3.34Å; T278-G281 PolarHBondContact N-O 3.22Å; T278-G281 PolarHBondContact OG1-N 3.29Å; T278-G281 VanDerWaalsContact OG1-N 3.08Å; T278-G281 PolarHBondContact OG1-O 2.78Å; T278-L283 HydrophobicContact CG2-CD1 3.75Å; T278-L283 HydrophobicContact CG2-CG 4.25Å; T278-W373 HydrophobicContact CG2-CB 4.35Å; T278-W373 HydrophobicContact CG2-CE3 4.13Å
279W89.6Confident90.4Very high77 Ų7735.8 Ų35.829%0.29218%0.177SC..SBendtrans-67.8-28170.4-179.4-110000112.9Q193 K195 H201 L206Q193-W279 HydrophobicContact CB-CH2 4.29Å; Q193-W279 HydrophobicContact CB-CZ3 4.37Å; K195-W279 HydrophobicContact CB-CH2 4.32Å; K195-W279 HydrophobicContact CB-CZ3 4.36Å; K195-W279 HydrophobicContact CD-CZ2 4.31Å; K195-W279 VanDerWaalsContact CD-O 3.3Å; K195-W279 WeakPolarHBondContact CD-O 3.35Å; K195-W279 PolarHBondContact NZ-O 3.21Å; H201-W279 HydrophobicContact CB-CE3 4.09Å; H201-W279 HydrophobicContact CB-CZ3 4.06Å; H201-W279 AromaticContact CD2-CE3 3.81Å; H201-W279 AromaticContact CG-CE3 3.78Å; L206-W279 HydrophobicContact CB-CB 4.43Å; L206-W279 HydrophobicContact CB-CD2 4.14Å; L206-W279 HydrophobicContact CB-CE3 4.1Å; L206-W279 HydrophobicContact CB-CG 4.3Å; L206-W279 HydrophobicContact CD1-CD2 4.1Å; L206-W279 HydrophobicContact CD1-CG 4.22Å; L206-W279 HydrophobicContact CD2-CD2 4.27Å; L206-W279 HydrophobicContact CD2-CE3 4.06Å; L206-W279 HydrophobicContact CD2-CH2 4.01Å; L206-W279 HydrophobicContact CD2-CZ2 4.22Å; L206-W279 HydrophobicContact CD2-CZ3 3.94Å; L206-W279 HydrophobicContact CG-CD2 4.41Å; L206-W279 HydrophobicContact CG-CE3 4.5Å
280D88.6Confident90.8Very high135 Ų13535.3 Ų35.372%0.72218%0.175SC*.SBendtrans-94.1-14.6-174.5-64.9-45000113.5K195 T278K195-D280 IonicContact NZ-OD1 3.77Å; T278-D280 VanDerWaalsContact C-N 3.26Å; T278-D280 PolarHBondContact OG1-N 3.16Å
281G86.6Confident90.9Very high34 Ų3433 Ų3335%0.35117%0.172SC..  trans152.7-169.1175.400000113.1T278T278-G281 WeakPolarHBondContact CB-O 3.34Å; T278-G281 PolarHBondContact N-O 3.22Å; T278-G281 PolarHBondContact OG1-N 3.29Å; T278-G281 VanDerWaalsContact OG1-N 3.08Å; T278-G281 PolarHBondContact OG1-O 2.78Å
282L87.7Confident90.8Very high86 Ų8633.3 Ų33.345%0.4518%0.177SC..EExtended strand (participates in β ladder)trans-86.2138.5174.8-64173.1000110.3F199 A276 I277F199-L282 HydrophobicContact CE2-CD2 4.13Å; A276-L282 WeakPolarHBondContact O-CA 3.11Å; I277-L282 HydrophobicContact CB-CD2 4.3Å; I277-L282 HydrophobicContact CG1-CD2 3.73Å
283L88.4Confident90.8Very high77 Ų7735.9 Ų35.940%0.40319%0.189SC..EExtended strand (participates in β ladder)trans-123.3131.2175.1-63.8175.4000110.1S275 A276 T278 F285 W373S275-L283 CarbonylContact C-O 3.57Å; S275-L283 WeakPolarHBondContact CA-O 3.43Å; S275-L283 WeakPolarHBondContact CB-O 3.16Å; A276-L283 PolarHBondContact N-O 3.46Å; A276-L283 PolarHBondContact O-N 3.37Å; T278-L283 HydrophobicContact CG2-CD1 3.75Å; T278-L283 HydrophobicContact CG2-CG 4.25Å; L283-F285 PolarHBondContact O-N 3.31Å; L283-W373 HydrophobicContact CD1-CE3 4.43Å; L283-W373 HydrophobicContact CD1-CZ3 4.06Å
284D89.1Confident90.8Very high47 Ų4739.2 Ų39.225%0.25120%0.203SC..EExtended strand (participates in β ladder)trans-67.3121.4170.4-72.6-22.1000110.3S275 L343 R361S275-D284 PolarHBondContact OG-OD1 3.18Å; D284-L343 HydrophobicContact CB-CD1 3.81Å; D284-R361 IonicContact OD1-CZ 2.75Å; D284-R361 IonicContact OD1-NH2 2.9Å; D284-R361 PolarHBondContact OD1-NH2 2.83Å; D284-R361 IonicContact OD2-CZ 2.67Å; D284-R361 IonicContact OD2-NE 3.98Å; D284-R361 PolarHBondContact OD2-NE 2.84Å; D284-R361 IonicContact OD2-NH2 2.67Å; D284-R361 PolarHBondContact OD2-NH2 3.31Å
285F91.3Very high90.8Very high7 Ų739.1 Ų39.13%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-109.2-47.6-167.6-171.5-86.6000111.8L274 A276 L283 L343 L344 W373 C376 I377L274-F285 HydrophobicContact CD2-CD1 4.2Å; L274-F285 WeakPolarHBondContact O-CA 3.23Å; L274-F285 VanDerWaalsContact O-CB 3.31Å; L274-F285 WeakPolarHBondContact O-CB 3.3Å; L274-F285 PolarHBondContact O-N 3.32Å; A276-F285 HydrophobicContact CB-CB 4.18Å; A276-F285 HydrophobicContact CB-CD2 3.95Å; A276-F285 HydrophobicContact CB-CG 4.38Å; L283-F285 PolarHBondContact O-N 3.31Å; F285-L343 PolarHBondContact O-N 3.09Å; F285-L344 HydrophobicContact CD2-CD1 3.32Å; F285-L344 HydrophobicContact CD2-CG 3.91Å; F285-L344 HydrophobicContact CE2-CD1 3.19Å; F285-L344 HydrophobicContact CE2-CG 4.22Å; F285-L344 HydrophobicContact CG-CD1 4.3Å; F285-L344 HydrophobicContact CZ-CD1 4.07Å; F285-W373 HydrophobicContact CD2-CE3 4.35Å; F285-W373 HydrophobicContact CD2-CZ3 4.02Å; F285-W373 HydrophobicContact CE2-CE3 4.41Å; F285-W373 HydrophobicContact CE2-CH2 4.4Å; F285-W373 HydrophobicContact CE2-CZ3 4.08Å; F285-C376 HydrophobicContact CD1-CB 3.71Å; F285-C376 HydrophobicContact CD2-CB 3.67Å; F285-C376 HydrophobicContact CE1-CB 3.7Å; F285-C376 VanDerWaalsContact CE1-O 3.24Å; F285-C376 WeakPolarHBondContact CE1-O 3.4Å; F285-C376 HydrophobicContact CE2-CB 3.64Å; F285-C376 HydrophobicContact CG-CB 3.73Å; F285-C376 VanDerWaalsContact CZ-C 3.43Å; F285-C376 HydrophobicContact CZ-CB 3.68Å; F285-C376 WeakPolarHBondContact CZ-O 3.22Å; F285-I377 HydrophobicContact CE2-CG1 4.34Å; F285-I377 HydrophobicContact CZ-CG1 4.43Å
286M92.8Very high90.9Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-157.9146.3-173.8-174.4179.6-68.700112.4L274 L288 Y340 Q341 Q342 F379 L383L274-M286 HydrophobicContact CB-CB 4.3Å; L274-M286 PolarHBondContact N-O 3.05Å; L274-M286 PolarHBondContact O-N 2.87Å; L274-M286 VanDerWaalsContact O-N 3.09Å; M286-L288 HydrophobicContact CG-CD2 3.92Å; M286-L288 HydrophobicContact CG-CG 4.36Å; M286-L288 HydrophobicContact SD-CD2 3.44Å; M286-L288 WeakPolarHBondContact SD-CD2 3.44Å; M286-L288 HydrophobicContact SD-CG 4.32Å; M286-Y340 HydrophobicContact CE-CD2 4.04Å; M286-Y340 HydrophobicContact SD-CD2 4.08Å; M286-Y340 HydrophobicContact SD-CG 4.27Å; M286-Q341 CarbonylContact C-O 3.52Å; M286-Q341 VanDerWaalsContact CA-O 3.29Å; M286-Q341 WeakPolarHBondContact CA-O 3.26Å; M286-Q341 WeakPolarHBondContact CG-O 3.49Å; M286-Q342 HydrophobicContact CE-CG 3.63Å; M286-F379 HydrophobicContact SD-CE1 4.47Å; M286-L383 HydrophobicContact CE-CD1 3.87Å; M286-L383 HydrophobicContact SD-CD1 3.49Å; M286-L383 WeakPolarHBondContact SD-CD1 3.32Å
287L93.3Very high91Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-97.1135.9163.8-56.2179.5000109.3I273 Y340 Q341 L343 L356 V357 W360 F404I273-L287 HydrophobicContact CB-CD2 4.43Å; I273-L287 HydrophobicContact CG1-CD2 3.74Å; L287-Y340 CarbonylContact O-C 3.53Å; L287-Y340 WeakPolarHBondContact O-CA 3.22Å; L287-Q341 HydrophobicContact CB-CB 4.39Å; L287-Q341 PolarHBondContact N-O 2.85Å; L287-Q341 PolarHBondContact O-N 3.08Å; L287-L343 HydrophobicContact CD1-CD2 4.26Å; L287-L343 HydrophobicContact CD2-CD1 4.02Å; L287-L343 HydrophobicContact CG-CD1 4.06Å; L287-L343 HydrophobicContact CG-CD2 4.04Å; L287-L343 HydrophobicContact CG-CG 4.31Å; L287-L356 HydrophobicContact CD1-CD2 3.65Å; L287-L356 HydrophobicContact CD1-CG 3.87Å; L287-V357 HydrophobicContact CD1-CG2 4.2Å; L287-V357 HydrophobicContact CD2-CG2 4.26Å; L287-V357 HydrophobicContact CG-CG2 4.45Å; L287-W360 HydrophobicContact CB-CE3 4.31Å; L287-W360 HydrophobicContact CB-CH2 4.28Å; L287-W360 HydrophobicContact CB-CZ3 3.97Å; L287-W360 HydrophobicContact CD1-CD2 4.38Å; L287-W360 HydrophobicContact CD2-CD2 4.33Å; L287-W360 HydrophobicContact CD2-CE3 3.87Å; L287-W360 HydrophobicContact CD2-CZ3 4.34Å; L287-W360 HydrophobicContact CG-CE3 4.45Å; L287-F404 HydrophobicContact CB-CE1 3.91Å; L287-F404 HydrophobicContact CB-CZ 3.99Å; L287-F404 HydrophobicContact CD1-CZ 4.24Å
288L94.5Very high91Very high4 Ų441.1 Ų41.12%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-123.8138.1178.3-58.5170.2000110.5R271 V272 M286 V338 F339 W360 F379 L383R271-L288 WeakPolarHBondContact CA-O 3.32Å; V272-L288 HydrophobicContact CB-CB 4.14Å; V272-L288 HydrophobicContact CB-CD1 4.33Å; V272-L288 HydrophobicContact CG1-CD1 4.48Å; V272-L288 PolarHBondContact N-O 2.83Å; V272-L288 PolarHBondContact O-N 2.85Å; M286-L288 HydrophobicContact CG-CD2 3.92Å; M286-L288 HydrophobicContact CG-CG 4.36Å; M286-L288 HydrophobicContact SD-CD2 3.44Å; M286-L288 WeakPolarHBondContact SD-CD2 3.44Å; M286-L288 HydrophobicContact SD-CG 4.32Å; L288-V338 HydrophobicContact CD2-CG1 3.95Å; L288-F339 CarbonylContact C-O 3.58Å; L288-F339 WeakPolarHBondContact CA-O 3.36Å; L288-W360 WeakPolarHBondContact O-CZ3 3.48Å; L288-F379 HydrophobicContact CD1-CE1 3.72Å; L288-F379 HydrophobicContact CD1-CZ 4.39Å; L288-F379 HydrophobicContact CD2-CE1 3.89Å; L288-F379 HydrophobicContact CD2-CZ 4.48Å; L288-F379 HydrophobicContact CG-CE1 4.44Å; L288-L383 HydrophobicContact CD2-CD1 4.31Å
289W95Very high91.1Very high80 Ų8041.2 Ų41.230%0.30321%0.211SC..EExtended strand (participates in β ladder)trans-124.2123.9165.8-167.8-32.5000109Y270 R271 P291 F339 W360 M401Y270-W289 CarbonylContact O-C 3.17Å; Y270-W289 WeakPolarHBondContact O-CA 3.44Å; R271-W289 HydrophobicContact CG-CD2 4.43Å; R271-W289 HydrophobicContact CG-CG 4.47Å; W289-P291 WeakPolarHBondContact O-CD 3.4Å; W289-F339 HydrophobicContact CB-CB 4.16Å; W289-F339 HydrophobicContact CB-CD2 4.31Å; W289-F339 HydrophobicContact CG-CD2 4.33Å; W289-F339 PolarHBondContact N-O 2.85Å; W289-F339 PolarHBondContact O-N 2.81Å; W289-W360 HydrophobicContact CE3-CZ2 4.39Å; W289-M401 HydrophobicContact CD2-CE 3.51Å; W289-M401 HydrophobicContact CD2-SD 3.95Å; W289-M401 HydrophobicContact CE3-CE 3.23Å; W289-M401 HydrophobicContact CE3-SD 3.24Å; W289-M401 HydrophobicContact CG-CE 4.46Å; W289-M401 HydrophobicContact CH2-CE 3.12Å; W289-M401 HydrophobicContact CH2-SD 4.06Å; W289-M401 HydrophobicContact CZ2-CE 3.4Å; W289-M401 HydrophobicContact CZ3-CE 3.03Å; W289-M401 HydrophobicContact CZ3-SD 3.31Å; W289-M401 WeakPolarHBondContact CZ3-SD 3.37Å
290L94.2Very high91.2Very high0 Ų039.1 Ų39.10%021%0.207CC..  trans-109.196.3-177.8-48.1-179.2000109.4V261 L264 I265 Q269 Y270 D292 V338V261-L290 HydrophobicContact CG1-CD1 4.35Å; V261-L290 HydrophobicContact CG1-CD2 4.1Å; L264-L290 HydrophobicContact CB-CD1 3.52Å; L264-L290 HydrophobicContact CD1-CD1 3.83Å; L264-L290 HydrophobicContact CG-CD1 4.3Å; I265-L290 HydrophobicContact CD1-CB 4.27Å; I265-L290 HydrophobicContact CG1-CB 3.93Å; I265-L290 HydrophobicContact CG1-CD1 4.07Å; Q269-L290 WeakPolarHBondContact O-CD1 3.44Å; Y270-L290 WeakPolarHBondContact CD1-O 3.48Å; Y270-L290 PolarHBondContact O-N 2.83Å; L290-D292 PolarHBondContact O-N 2.69Å; L290-V338 HydrophobicContact CD2-CB 4.33Å; L290-V338 HydrophobicContact CD2-CG1 3.87Å; L290-V338 HydrophobicContact CD2-CG2 3.85Å
291P91.5Very high91.1Very high50 Ų5035.7 Ų35.733%0.32520%0.197SC..  trans-77.66-17832.6-38.6000114.6W289 Q293 R337 F339W289-P291 WeakPolarHBondContact O-CD 3.4Å; P291-Q293 VanDerWaalsContact C-N 3.27Å; P291-Q293 HydrophobicContact CG-CB 4.26Å; P291-Q293 PolarHBondContact O-N 3Å; P291-R337 HydrophobicContact CG-CB 3.97Å; P291-R337 HydrophobicContact CG-CG 3.91Å; P291-F339 HydrophobicContact CB-CE2 4.13Å; P291-F339 HydrophobicContact CG-CD2 4.31Å; P291-F339 HydrophobicContact CG-CE2 3.77Å; P291-F339 HydrophobicContact CG-CZ 4.09Å
292D89.7Confident91Very high61 Ų6134.9 Ų34.933%0.32619%0.185SC..  trans47.545-170.4-167.826.5000114.2I265 Y270 L290 R336I265-D292 HydrophobicContact CD1-CB 4.5Å; I265-D292 HydrophobicContact CG2-CB 3.89Å; I265-D292 WeakPolarHBondContact CG2-OD1 3.44Å; Y270-D292 HydrophobicContact CE1-CB 4.33Å; L290-D292 PolarHBondContact O-N 2.69Å; D292-R336 IonicContact OD1-CZ 2.74Å; D292-R336 IonicContact OD1-NH1 3.34Å; D292-R336 PolarHBondContact OD1-NH1 3.1Å
293Q90.8Very high90.4Very high55 Ų5536.2 Ų36.226%0.25719%0.189SC..  trans-102.6117.5176.4-176.5-179.157.500110.1V7 P291 R336 R337V7-Q293 HydrophobicContact CG1-CG 3.74Å; P291-Q293 VanDerWaalsContact C-N 3.27Å; P291-Q293 HydrophobicContact CG-CB 4.26Å; P291-Q293 PolarHBondContact O-N 3Å; Q293-R336 CarbonylContact O-C 3.58Å; Q293-R336 WeakPolarHBondContact O-CA 3.31Å; Q293-R337 HydrophobicContact CB-CB 3.92Å; Q293-R337 HydrophobicContact CG-CB 4.49Å; Q293-R337 PolarHBondContact O-N 2.9Å
294K91Very high89.1Confident72 Ų7236 Ų3631%0.31319%0.188SC..EExtended strand (participates in β ladder)trans-87138.3171.5-63.2179.8-175.6172.10110.4D8 L411D8-K294 HydrophobicContact CB-CB 4.2Å; D8-K294 PolarHBondContact N-O 2.86Å; K294-L411 HydrophobicContact CB-CD1 4.3Å; K294-L411 HydrophobicContact CD-CD1 4.35Å; K294-L411 HydrophobicContact CD-CD2 4.41Å; K294-L411 HydrophobicContact CG-CD1 4.21Å; K294-L411 HydrophobicContact CG-CD2 4.31Å
295L90.4Very high87.3Confident0 Ų040.3 Ų40.30%020%0.202CC..EExtended strand (participates in β ladder)trans-149.3157.6-178.361.898.9000111.6E5 A6 V7 L297 C335 R337E5-L295 HydrophobicContact CG-CB 4.34Å; E5-L295 HydrophobicContact CG-CD1 4.11Å; A6-L295 CarbonylContact O-C 3.5Å; A6-L295 WeakPolarHBondContact O-CA 3.38Å; A6-L295 WeakPolarHBondContact O-CB 2.83Å; V7-L295 HydrophobicContact CG2-CB 4.45Å; L295-L297 HydrophobicContact CD1-CD1 4.19Å; L295-L297 HydrophobicContact CD1-CD2 3.34Å; L295-L297 HydrophobicContact CD1-CG 3.44Å; L295-L297 VanDerWaalsContact CD1-CG 3.44Å; L295-C335 HydrophobicContact CD1-CB 4Å; L295-C335 HydrophobicContact CG-CB 4.36Å; L295-C335 PolarHBondContact N-O 3.12Å; L295-C335 PolarHBondContact O-N 3.49Å; L295-C335 VanDerWaalsContact O-O 3.06Å; L295-R337 HydrophobicContact CD2-CB 3.72Å; L295-R337 HydrophobicContact CD2-CG 4.47Å
296R91.4Very high85.1Confident43 Ų4345.6 Ų45.616%0.16223%0.234CC..EExtended strand (participates in β ladder)trans-111.1125.3170.8-69.1174.9174.474.52.8109.4A6 D8 Y298 P332 I333A6-R296 HydrophobicContact CB-CB 4.21Å; A6-R296 PolarHBondContact N-O 3.35Å; A6-R296 PolarHBondContact O-N 2.75Å; D8-R296 IonicContact OD1-CZ 3.43Å; D8-R296 IonicContact OD1-NH1 3.43Å; D8-R296 PolarHBondContact OD1-NH1 3.49Å; D8-R296 IonicContact OD2-NH1 3.29Å; D8-R296 PolarHBondContact OD2-NH1 2.94Å; R296-Y298 HydrophobicContact CB-CE2 3.86Å; R296-P332 HydrophobicContact CB-CB 3.95Å; R296-P332 HydrophobicContact CG-CB 4.22Å; R296-I333 CarbonylContact C-O 3.54Å; R296-I333 WeakPolarHBondContact CA-O 3.43Å
297L93Very high82.5Confident3 Ų350.3 Ų50.32%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-96.2124.7175.7-63.3177.5000110E5 L295 I333 C335 F386 R389 I390 A408E5-L297 HydrophobicContact CB-CD2 4.44Å; E5-L297 HydrophobicContact CG-CD2 4.05Å; L295-L297 HydrophobicContact CD1-CD1 4.19Å; L295-L297 HydrophobicContact CD1-CD2 3.34Å; L295-L297 HydrophobicContact CD1-CG 3.44Å; L295-L297 VanDerWaalsContact CD1-CG 3.44Å; L297-I333 PolarHBondContact N-O 3.23Å; L297-I333 PolarHBondContact O-N 2.78Å; L297-C335 HydrophobicContact CD1-CB 4.49Å; L297-F386 HydrophobicContact CD1-CD1 4.48Å; L297-R389 HydrophobicContact CD1-CB 4Å; L297-I390 HydrophobicContact CD1-CG1 4.39Å; L297-I390 HydrophobicContact CD2-CG1 3.94Å; L297-A408 HydrophobicContact CD1-CB 4.12Å
298Y92Very high79.8Confident2 Ų255.5 Ų55.51%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-111.4125.5167-55.6-100.9000107.3F3 A4 A6 L48 N49 L51 R296 I330 P332F3-Y298 WeakPolarHBondContact CA-O 3Å; A4-Y298 HydrophobicContact CB-CD2 4.27Å; A4-Y298 HydrophobicContact CB-CG 4.44Å; A4-Y298 PolarHBondContact N-O 2.87Å; A4-Y298 PolarHBondContact O-N 2.72Å; A6-Y298 HydrophobicContact CB-CD2 4.43Å; A6-Y298 HydrophobicContact CB-CE2 3.82Å; L48-Y298 HydrophobicContact CB-CD1 4.17Å; L48-Y298 HydrophobicContact CB-CE1 4.01Å; L48-Y298 HydrophobicContact CD2-CD1 3.87Å; L48-Y298 HydrophobicContact CD2-CG 4Å; N49-Y298 PolarHBondContact O-OH 2.89Å; L51-Y298 HydrophobicContact CD1-CD2 4.28Å; L51-Y298 HydrophobicContact CD1-CE1 4.22Å; L51-Y298 HydrophobicContact CD1-CE2 3.45Å; L51-Y298 VanDerWaalsContact CD1-CE2 3.45Å; L51-Y298 WeakPolarHBondContact CD1-OH 3.48Å; L51-Y298 HydrophobicContact CG-CE2 4.36Å; L51-Y298 WeakPolarHBondContact CG-OH 3.42Å; R296-Y298 HydrophobicContact CB-CE2 3.86Å; Y298-I330 HydrophobicContact CD1-CB 4.38Å; Y298-I330 HydrophobicContact CD1-CG2 4.14Å; Y298-P332 HydrophobicContact CD1-CB 4.17Å; Y298-P332 HydrophobicContact CE1-CB 3.54Å; Y298-P332 HydrophobicContact CE1-CG 3.85Å; Y298-P332 HydrophobicContact CE2-CB 4.04Å; Y298-P332 VanDerWaalsContact CZ-CB 3.46Å
299T91.9Very high77Confident33 Ų3361.5 Ų61.520%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-144.3128.6178.6-48.40000109.1M1 L2 F3 R389M1-T299 HydrophobicContact CG-CG2 4.48Å; M1-T299 HydrophobicContact SD-CG2 4.3Å; L2-T299 WeakPolarHBondContact O-CA 3.17Å; F3-T299 HydrophobicContact CD1-CG2 3.69Å; F3-T299 HydrophobicContact CE1-CG2 3.76Å; T299-R389 WeakPolarHBondContact OG1-CB 3.35Å; T299-R389 PolarHBondContact OG1-O 2.76Å; T299-R389 VanDerWaalsContact OG1-O 3.07Å
300T91.7Very high74.1Confident32 Ų3264 Ų6420%0.19636%0.356CS..EExtended strand (participates in β ladder)trans-144.4148.3172.2-163.60000111.9M1 L2 L302 I330M1-T300 WeakPolarHBondContact CG-O 3.2Å; L2-T300 HydrophobicContact CB-CG2 4.29Å; L2-T300 PolarHBondContact N-O 2.99Å; L2-T300 PolarHBondContact O-N 2.79Å; T300-L302 HydrophobicContact CG2-CD2 3.66Å; T300-L302 HydrophobicContact CG2-CG 4.26Å; T300-I330 HydrophobicContact CG2-CD1 3.3Å; T300-I330 HydrophobicContact CG2-CG1 4.07Å
301A87.9Confident71.3Confident64 Ų6471.2 Ų71.253%0.52940%0.395SS..  trans-82.2118.5162.400000108Q303A301-Q303 PolarHBondContact O-N 3.03Å
302L84Confident68.9Low16 Ų1671.2 Ų71.28%0.08439%0.394CS..  trans-81.2109.9165.3-57.9-179.2000105.7L2 Y17 I37 H44 V46 T300 V328L2-L302 HydrophobicContact CB-CD1 4.22Å; L2-L302 HydrophobicContact CB-CG 4.38Å; Y17-L302 HydrophobicContact CD2-CD1 4.36Å; Y17-L302 HydrophobicContact CE2-CD1 3.88Å; I37-L302 HydrophobicContact CD1-CD1 3.44Å; I37-L302 VanDerWaalsContact CD1-CD1 3.44Å; I37-L302 HydrophobicContact CG1-CD1 4.36Å; H44-L302 HydrophobicContact CB-CD1 4Å; H44-L302 HydrophobicContact CB-CD2 4.36Å; V46-L302 HydrophobicContact CG2-CD2 3.9Å; T300-L302 HydrophobicContact CG2-CD2 3.66Å; T300-L302 HydrophobicContact CG2-CG 4.26Å; L302-V328 HydrophobicContact CD2-CG2 4.49Å
303Q73.9Confident66.3Low114 Ų11474 Ų7453%0.53341%0.408SS..  trans-73.7131.2-177.9-70.6-174.6-3.200109.8A301 Y305A301-Q303 PolarHBondContact O-N 3.03Å; Q303-Y305 VanDerWaalsContact C-N 3.29Å; Q303-Y305 HydrophobicContact CB-CD2 4.43Å; Q303-Y305 HydrophobicContact CB-CE2 4.21Å; Q303-Y305 PolarHBondContact O-N 3.13Å; Q303-Y305 PolarHBondContact OE1-OH 2.78Å
304D61.8Low64Low72 Ų7280.4 Ų80.439%0.38544%0.439SS..  trans-72.891.5159.6-67.2-37.4000107.4T306D304-T306 PolarHBondContact O-N 2.87Å
305Y51.8Low61.6Low139 Ų13982.4 Ų82.455%0.54546%0.462SS..  trans-64.892.7159.2-66.9-75.7000106.4K42 Q303 S307K42-Y305 PolarHBondContact NZ-O 2.93Å; Q303-Y305 VanDerWaalsContact C-N 3.29Å; Q303-Y305 HydrophobicContact CB-CD2 4.43Å; Q303-Y305 HydrophobicContact CB-CE2 4.21Å; Q303-Y305 PolarHBondContact O-N 3.13Å; Q303-Y305 PolarHBondContact OE1-OH 2.78Å; Y305-S307 PolarHBondContact O-N 2.94Å
306T45.1Very low59.1Low117 Ų11786 Ų8672%0.71849%0.487SS*.  trans-65.188.2168.840.10000107.9D304D304-T306 PolarHBondContact O-N 2.87Å
307S37Very low56.6Low100 Ų10089.8 Ų89.870%0.69951%0.51SS*.  trans-60.6133.7137.2-58.30000105.8Y305 T309Y305-S307 PolarHBondContact O-N 2.94Å; S307-T309 PolarHBondContact O-N 2.7Å
308P38.4Very low54.1Low109 Ų10992.2 Ų92.271%0.70854%0.536SS*.  trans-55.8135.7-168.123.6-31.9000109.2I310P308-I310 PolarHBondContact O-N 2.95Å
309T35.6Very low51.7Low130 Ų130102.1 Ų102.180%0.79858%0.579SS**  trans-41.1101.6169.737.50000109.4S307 D311S307-T309 PolarHBondContact O-N 2.7Å; T309-D311 PolarHBondContact O-N 2.86Å
310I33.6Very low49.2Very low131 Ų131108 Ų10867%0.67261%0.609SS**  trans-72.3117.9158.7-58.4176.3000103.1P308 V312P308-I310 PolarHBondContact O-N 2.95Å; I310-V312 HydrophobicContact CB-CG2 4.12Å; I310-V312 HydrophobicContact CG2-CG2 3.97Å; I310-V312 WeakPolarHBondContact O-CG2 3.18Å; I310-V312 PolarHBondContact O-N 2.89Å
311D34.8Very low47Very low152 Ų152111.3 Ų111.381%0.81362%0.622SS**  trans-60.286.1164.4-78.4-37.6000107.1T309 N313T309-D311 PolarHBondContact O-N 2.86Å; D311-N313 PolarHBondContact O-N 3.18Å
312V41.6Very low45.2Very low51 Ų51116.8 Ų116.831%0.30964%0.637SS.*  trans-78.197.3175.9-171.40000106.3I310 E314I310-V312 HydrophobicContact CB-CG2 4.12Å; I310-V312 HydrophobicContact CG2-CG2 3.97Å; I310-V312 WeakPolarHBondContact O-CG2 3.18Å; I310-V312 PolarHBondContact O-N 2.89Å; V312-E314 PolarHBondContact O-N 3.17Å
313N35.1Very low44.2Very low118 Ų118119.8 Ų119.863%0.63165%0.653SS**  trans-49.9124.1158.1-84.8-35.7000108.1D311 S315 S316D311-N313 PolarHBondContact O-N 3.18Å; N313-S315 PolarHBondContact O-N 2.79Å; N313-S316 PolarHBondContact O-N 2.83Å; N313-S316 VanDerWaalsContact O-N 3.1Å; N313-S316 PolarHBondContact O-OG 3.03Å
314E42.5Very low44.1Very low191 Ų191117.6 Ų117.689%0.89365%0.647SS**THydrogen-bonded Turntrans-56.2-6.2-177.2-70.8-175.8152.900114.5V312V312-E314 PolarHBondContact O-N 3.17Å
315S39.8Very low44.8Very low114 Ų114118.1 Ų118.180%0.79765%0.653SS**THydrogen-bonded Turntrans-99.1-0.8-18053.60000115.4N313N313-S315 PolarHBondContact O-N 2.79Å
316S37.4Very low46.4Very low76 Ų76114.1 Ų114.153%0.53164%0.639SS.*  trans-12448.1-180450000113.6N313 G318N313-S316 PolarHBondContact O-N 2.83Å; N313-S316 VanDerWaalsContact O-N 3.1Å; N313-S316 PolarHBondContact O-OG 3.03Å; S316-G318 VanDerWaalsContact C-N 3.29Å; S316-G318 PolarHBondContact O-N 2.81Å; S316-G318 VanDerWaalsContact O-N 3.07Å
317L40.5Very low48.3Very low121 Ų121112.6 Ų112.663%0.63463%0.633SS**  trans-79.180.1164.8-77.1159000109.6
318G39Very low50.8Low55 Ų55110 Ų11057%0.56761%0.613SS**  trans-61134.3162.600000109.6S316 D320S316-G318 VanDerWaalsContact C-N 3.29Å; S316-G318 PolarHBondContact O-N 2.81Å; S316-G318 VanDerWaalsContact O-N 3.07Å; G318-D320 PolarHBondContact O-N 3.44Å
319K41.8Very low53.1Low209 Ų209111.9 Ų111.991%0.90961%0.61SS**THydrogen-bonded Turntrans-64.514.9-168.1-79.1-176.1172.9-179.70117.4
320D40.8Very low55.6Low156 Ų156106.2 Ų106.283%0.83458%0.575SS**THydrogen-bonded Turntrans-132.830.8-176.3-73.9-44.2000113.4G318 Q322G318-D320 PolarHBondContact O-N 3.44Å; D320-Q322 VanDerWaalsContact C-N 3.33Å; D320-Q322 PolarHBondContact O-N 2.79Å
321E45.6Very low58Low103 Ų103106.2 Ų106.248%0.48157%0.572SS.*  trans-69.796.7160.9-75.4-168.3171.300108.6N323E321-N323 PolarHBondContact O-N 2.94Å
322Q50.3Low60.6Low178 Ų178100.5 Ų100.583%0.83254%0.543SS*.  trans-56.2103169.1-71.6-176.8-7.300108.3D320 T324D320-Q322 VanDerWaalsContact C-N 3.33Å; D320-Q322 PolarHBondContact O-N 2.79Å; Q322-T324 PolarHBondContact O-N 2.84Å
323N62.2Low62.8Low79 Ų79100.4 Ų100.442%0.42254%0.54SS..  trans-57.4107.7170.6-130.3-4.1000107.2N41 K42 E321 V325N41-N323 PolarHBondContact O-OD1 3.22Å; K42-N323 PolarHBondContact N-OD1 2.54Å; E321-N323 PolarHBondContact O-N 2.94Å; N323-V325 PolarHBondContact O-N 2.89Å
324T71.1Confident65.4Low68 Ų6895.3 Ų95.342%0.41752%0.515SS..EExtended strand (participates in β ladder)trans-69.1117.5-178.748.50000108.8T43 Q322T43-T324 PolarHBondContact N-O 2.8Å; T43-T324 VanDerWaalsContact N-O 3.17Å; Q322-T324 PolarHBondContact O-N 2.84Å
325V78Confident67.8Low83 Ų8386.2 Ų86.250%0.50347%0.473SS..EExtended strand (participates in β ladder)trans-90.4118.4176.1-176.90000109.1T43 Q45 N323T43-V325 CarbonylContact O-C 3.56Å; T43-V325 VanDerWaalsContact O-CA 3.31Å; T43-V325 WeakPolarHBondContact O-CA 3.45Å; Q45-V325 HydrophobicContact CB-CG1 4.08Å; N323-V325 PolarHBondContact O-N 2.89Å
326H83.4Confident70.2Confident56 Ų5681.6 Ų81.626%0.25944%0.437SS..EExtended strand (participates in β ladder)trans-105.2112.1175.6-65.4-72.5000110.2T43 H44 Q45T43-H326 PolarHBondContact O-N 3.22Å; H44-H326 CarbonylContact C-O 3.49Å; H44-H326 WeakPolarHBondContact CA-O 3.46Å; Q45-H326 PolarHBondContact N-O 3.1Å
327S85.9Confident73Confident84 Ų8478.9 Ų78.959%0.58742%0.416SS*.EExtended strand (participates in β ladder)trans-90.8129178.6-51.70000111.5Q45Q45-S327 CarbonylContact O-C 3.55Å; Q45-S327 WeakPolarHBondContact O-CA 3.15Å; Q45-S327 PolarHBondContact OE1-OG 2.76Å
328V88.5Confident75.6Confident47 Ų4773.1 Ų73.129%0.28539%0.386SS..EExtended strand (participates in β ladder)trans-127.9130.2178.5-178.90000109Q45 V46 T47 L302 I330Q45-V328 PolarHBondContact O-N 2.79Å; V46-V328 CarbonylContact C-O 3.46Å; V46-V328 VanDerWaalsContact CA-O 3.3Å; V46-V328 WeakPolarHBondContact CA-O 3.49Å; T47-V328 PolarHBondContact N-O 2.8Å; L302-V328 HydrophobicContact CD2-CG2 4.49Å; V328-I330 HydrophobicContact CG1-CG1 4.14Å
329K87Confident78.4Confident147 Ų14772 Ų7264%0.63937%0.365SS*.EExtended strand (participates in β ladder)trans-103126.8173.8-166.1-178.7-171.1-169.90109.1N49N49-K329 WeakPolarHBondContact ND2-CE 3.12Å; N49-K329 WeakPolarHBondContact OD1-CE 3.28Å; N49-K329 WeakPolarHBondContact OD1-CG 3.48Å
330I88Confident80.9Confident12 Ų1262.4 Ų62.46%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-114.8127.8-177.9-51.4174.1000110V46 T47 L48 N49 Y298 T300 V328V46-I330 HydrophobicContact CG1-CD1 3.27Å; V46-I330 HydrophobicContact CG1-CG1 3.81Å; T47-I330 PolarHBondContact O-N 2.7Å; L48-I330 HydrophobicContact CD2-CD1 4.28Å; N49-I330 PolarHBondContact N-O 2.56Å; Y298-I330 HydrophobicContact CD1-CB 4.38Å; Y298-I330 HydrophobicContact CD1-CG2 4.14Å; T300-I330 HydrophobicContact CG2-CD1 3.3Å; T300-I330 HydrophobicContact CG2-CG1 4.07Å; V328-I330 HydrophobicContact CG1-CG1 4.14Å
331E85.7Confident83.4Confident131 Ų13156 Ų5661%0.61229%0.288SS*.  trans-82.9136.1170.3-62.9-61.5163.600111.2N49N49-E331 PolarHBondContact ND2-OE1 3.17Å; N49-E331 PolarHBondContact ND2-OE2 3.25Å
332P88.3Confident85.5Confident31 Ų3154.9 Ų54.920%0.20128%0.283CS..  trans-71.4152.2173.722.7-26.3000112.7R296 Y298R296-P332 HydrophobicContact CB-CB 3.95Å; R296-P332 HydrophobicContact CG-CB 4.22Å; Y298-P332 HydrophobicContact CD1-CB 4.17Å; Y298-P332 HydrophobicContact CE1-CB 3.54Å; Y298-P332 HydrophobicContact CE1-CG 3.85Å; Y298-P332 HydrophobicContact CE2-CB 4.04Å; Y298-P332 VanDerWaalsContact CZ-CB 3.46Å
333I88.9Confident87.3Confident49 Ų4947.3 Ų47.325%0.25125%0.248SC..EExtended strand (participates in β ladder)trans-108122.7158.2-51.4-179.6000109.4R296 L297 F386R296-I333 CarbonylContact C-O 3.54Å; R296-I333 WeakPolarHBondContact CA-O 3.43Å; L297-I333 PolarHBondContact N-O 3.23Å; L297-I333 PolarHBondContact O-N 2.78Å; I333-F386 HydrophobicContact CD1-CE1 4.49Å; I333-F386 HydrophobicContact CG2-CE1 4.03Å
334A88.7Confident87.9Confident12 Ų1246.1 Ų46.110%0.09924%0.242CC..EExtended strand (participates in β ladder)trans-75.7126.1174.600000110L411A334-L411 HydrophobicContact CB-CB 4.12Å; A334-L411 HydrophobicContact CB-CD1 3.9Å; A334-L411 PolarHBondContact O-N 3.04Å
335C92.2Very high87.1Confident0 Ų047.6 Ų47.60%025%0.252CS..EExtended strand (participates in β ladder)trans-139.5163.3-174.2-62.20000112.4L295 L297 A408 V409 L411L295-C335 HydrophobicContact CD1-CB 4Å; L295-C335 HydrophobicContact CG-CB 4.36Å; L295-C335 PolarHBondContact N-O 3.12Å; L295-C335 PolarHBondContact O-N 3.49Å; L295-C335 VanDerWaalsContact O-O 3.06Å; L297-C335 HydrophobicContact CD1-CB 4.49Å; C335-A408 HydrophobicContact CB-CB 3.88Å; C335-V409 CarbonylContact C-O 3.54Å; C335-V409 WeakPolarHBondContact CA-O 3.5Å; C335-V409 WeakPolarHBondContact CB-O 3.29Å; C335-L411 WeakPolarHBondContact O-CD1 3.38Å
336R92.1Very high85.9Confident16 Ų1650.2 Ų50.26%0.0626%0.263CS..EExtended strand (participates in β ladder)trans-105.6137.2163.6-64.1-176.8170.6-83.410.6109.4D262 D292 Q293 A408 V409 L411D262-R336 IonicContact OD1-CZ 3.32Å; D262-R336 IonicContact OD1-NE 3.18Å; D262-R336 PolarHBondContact OD1-NE 2.76Å; D262-R336 IonicContact OD1-NH2 3.95Å; D262-R336 PolarHBondContact OD1-NH2 3.28Å; D292-R336 IonicContact OD1-CZ 2.74Å; D292-R336 IonicContact OD1-NH1 3.34Å; D292-R336 PolarHBondContact OD1-NH1 3.1Å; Q293-R336 CarbonylContact O-C 3.58Å; Q293-R336 WeakPolarHBondContact O-CA 3.31Å; R336-A408 CarbonylContact O-C 3.55Å; R336-A408 WeakPolarHBondContact O-CA 3.5Å; R336-A408 WeakPolarHBondContact O-CB 3.21Å; R336-V409 HydrophobicContact CB-CG2 3.99Å; R336-V409 PolarHBondContact N-O 2.88Å; R336-V409 PolarHBondContact O-N 2.89Å; R336-L411 HydrophobicContact CG-CD2 3.34Å; R336-L411 HydrophobicContact CG-CG 3.84Å; R336-L411 VanDerWaalsContact NE-CD2 3.32Å
337R94.9Very high84.2Confident20 Ų2053 Ų538%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-65.6137.5171.7-173.570.182.5168.99.3110.1E5 P291 Q293 L295 F339 S406 G407E5-R337 IonicContact OE1-CZ 3.43Å; E5-R337 IonicContact OE1-NE 3.33Å; E5-R337 IonicContact OE1-NH1 3.99Å; E5-R337 IonicContact OE1-NH2 3.26Å; E5-R337 PolarHBondContact OE1-NH2 2.79Å; E5-R337 IonicContact OE2-CZ 3.43Å; E5-R337 VanDerWaalsContact OE2-CZ 3.27Å; E5-R337 IonicContact OE2-NH1 3.51Å; E5-R337 PolarHBondContact OE2-NH1 2.75Å; E5-R337 IonicContact OE2-NH2 2.69Å; E5-R337 PolarHBondContact OE2-NH2 2.77Å; P291-R337 HydrophobicContact CG-CB 3.97Å; P291-R337 HydrophobicContact CG-CG 3.91Å; Q293-R337 HydrophobicContact CB-CB 3.92Å; Q293-R337 HydrophobicContact CG-CB 4.49Å; Q293-R337 PolarHBondContact O-N 2.9Å; L295-R337 HydrophobicContact CD2-CB 3.72Å; L295-R337 HydrophobicContact CD2-CG 4.47Å; R337-F339 HydrophobicContact CG-CD1 4.06Å; R337-F339 HydrophobicContact CG-CE1 3.47Å; R337-F339 VanDerWaalsContact CG-CE1 3.47Å; R337-F339 HydrophobicContact CG-CZ 3.84Å; R337-S406 WeakPolarHBondContact CD-OG 3.36Å; R337-S406 PolarHBondContact NH1-OG 3.1Å; R337-G407 VanDerWaalsContact CD-O 3.26Å; R337-G407 WeakPolarHBondContact CD-O 3.28Å
338V96.5Very high82.3Confident0 Ų055.8 Ų55.80%030%0.298CS..EExtended strand (participates in β ladder)trans-135132170.31780000108V261 L288 L290 L383 G407 V409V261-V338 HydrophobicContact CG1-CG2 4.27Å; V261-V338 HydrophobicContact CG2-CG2 4.49Å; L288-V338 HydrophobicContact CD2-CG1 3.95Å; L290-V338 HydrophobicContact CD2-CB 4.33Å; L290-V338 HydrophobicContact CD2-CG1 3.87Å; L290-V338 HydrophobicContact CD2-CG2 3.85Å; V338-L383 HydrophobicContact CB-CD2 4.04Å; V338-L383 HydrophobicContact CG1-CD2 3.98Å; V338-L383 HydrophobicContact CG2-CD2 4.47Å; V338-G407 PolarHBondContact N-O 3.22Å; V338-G407 CarbonylContact O-C 3.47Å; V338-G407 WeakPolarHBondContact O-CA 3.25Å; V338-G407 PolarHBondContact O-N 2.8Å; V338-G407 VanDerWaalsContact O-O 3.08Å; V338-V409 HydrophobicContact CG2-CG1 3.98Å; V338-V409 HydrophobicContact CG2-CG2 3.95Å
339F96.2Very high80.6Confident30 Ų3057.3 Ų57.313%0.13231%0.309CS..EExtended strand (participates in β ladder)trans-100131166.5-47.2-47.9000108.4L288 W289 P291 R337 L397 M401 F404 M405L288-F339 CarbonylContact C-O 3.58Å; L288-F339 WeakPolarHBondContact CA-O 3.36Å; W289-F339 HydrophobicContact CB-CB 4.16Å; W289-F339 HydrophobicContact CB-CD2 4.31Å; W289-F339 HydrophobicContact CG-CD2 4.33Å; W289-F339 PolarHBondContact N-O 2.85Å; W289-F339 PolarHBondContact O-N 2.81Å; P291-F339 HydrophobicContact CB-CE2 4.13Å; P291-F339 HydrophobicContact CG-CD2 4.31Å; P291-F339 HydrophobicContact CG-CE2 3.77Å; P291-F339 HydrophobicContact CG-CZ 4.09Å; R337-F339 HydrophobicContact CG-CD1 4.06Å; R337-F339 HydrophobicContact CG-CE1 3.47Å; R337-F339 VanDerWaalsContact CG-CE1 3.47Å; R337-F339 HydrophobicContact CG-CZ 3.84Å; F339-L397 HydrophobicContact CB-CD1 3.82Å; F339-L397 HydrophobicContact CD1-CD1 3.44Å; F339-L397 VanDerWaalsContact CD1-CD1 3.44Å; F339-L397 HydrophobicContact CD2-CD1 4.19Å; F339-L397 HydrophobicContact CE1-CD1 3.93Å; F339-L397 HydrophobicContact CE1-CD2 4.29Å; F339-L397 HydrophobicContact CG-CD1 3.56Å; F339-M401 HydrophobicContact CD2-CE 4.39Å; F339-M401 HydrophobicContact CD2-SD 4.43Å; F339-F404 HydrophobicContact CB-CB 4.32Å; F339-F404 HydrophobicContact CB-CD1 4.19Å; F339-M405 VanDerWaalsContact CA-O 3.32Å; F339-M405 WeakPolarHBondContact CA-O 3.42Å
340Y95.2Very high79.3Confident8 Ų853.1 Ų53.13%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-139.3150.1-175.968.7-80.7000113.3M286 L287 L383 S387 F404 M405M286-Y340 HydrophobicContact CE-CD2 4.04Å; M286-Y340 HydrophobicContact SD-CD2 4.08Å; M286-Y340 HydrophobicContact SD-CG 4.27Å; L287-Y340 CarbonylContact O-C 3.53Å; L287-Y340 WeakPolarHBondContact O-CA 3.22Å; Y340-L383 HydrophobicContact CD1-CB 4.45Å; Y340-L383 HydrophobicContact CD1-CD1 4.19Å; Y340-L383 HydrophobicContact CD1-CD2 4.22Å; Y340-L383 HydrophobicContact CD2-CD1 4.17Å; Y340-L383 HydrophobicContact CE1-CB 4.09Å; Y340-L383 HydrophobicContact CE1-CD2 4.46Å; Y340-L383 HydrophobicContact CE2-CB 4.41Å; Y340-L383 HydrophobicContact CG-CD1 3.94Å; Y340-S387 VanDerWaalsContact CE1-OG 3.28Å; Y340-S387 WeakPolarHBondContact CE1-OG 3.44Å; Y340-S387 PolarHBondContact OH-OG 2.83Å; Y340-F404 WeakPolarHBondContact O-CA 3.36Å; Y340-M405 HydrophobicContact CD1-CB 4.31Å; Y340-M405 WeakPolarHBondContact CD1-O 3.16Å; Y340-M405 HydrophobicContact CE1-CB 3.91Å; Y340-M405 HydrophobicContact CE1-CG 4.06Å; Y340-M405 HydrophobicContact CE1-SD 4.3Å; Y340-M405 HydrophobicContact CE2-CB 4.29Å; Y340-M405 HydrophobicContact CE2-SD 4.42Å; Y340-M405 PolarHBondContact N-O 3.39Å; Y340-M405 PolarHBondContact O-N 3.46Å; Y340-M405 PolarHBondContact OH-SD 3.36Å
341Q92.5Very high78.1Confident23 Ų2359.1 Ų59.111%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-131117.2171.2-178.2174.6-5.400108.7M286 L287 T353 F404M286-Q341 CarbonylContact C-O 3.52Å; M286-Q341 VanDerWaalsContact CA-O 3.29Å; M286-Q341 WeakPolarHBondContact CA-O 3.26Å; M286-Q341 WeakPolarHBondContact CG-O 3.49Å; L287-Q341 HydrophobicContact CB-CB 4.39Å; L287-Q341 PolarHBondContact N-O 2.85Å; L287-Q341 PolarHBondContact O-N 3.08Å; Q341-T353 PolarHBondContact NE2-OG1 3.09Å; Q341-F404 HydrophobicContact CB-CD1 4.07Å; Q341-F404 HydrophobicContact CB-CE1 4.11Å; Q341-F404 HydrophobicContact CB-CG 4.32Å; Q341-F404 HydrophobicContact CB-CZ 4.41Å
342Q90.5Very high77.6Confident79 Ų7958.4 Ų58.437%0.36933%0.33SS..EExtended strand (participates in β ladder)trans-71.6136.9172.3-73.8174.2-2.200110M286 S380M286-Q342 HydrophobicContact CE-CG 3.63Å; Q342-S380 PolarHBondContact NE2-OG 3.33Å
343L88.1Confident77.3Confident18 Ų1857.6 Ų57.69%0.09433%0.325CS..  trans-102.2-22-178.8-59.6176.8000112.5D284 F285 L287 T353 V357D284-L343 HydrophobicContact CB-CD1 3.81Å; F285-L343 PolarHBondContact O-N 3.09Å; L287-L343 HydrophobicContact CD1-CD2 4.26Å; L287-L343 HydrophobicContact CD2-CD1 4.02Å; L287-L343 HydrophobicContact CG-CD1 4.06Å; L287-L343 HydrophobicContact CG-CD2 4.04Å; L287-L343 HydrophobicContact CG-CG 4.31Å; L343-T353 HydrophobicContact CD2-CG2 3.38Å; L343-V357 HydrophobicContact CD1-CG2 3.57Å; L343-V357 HydrophobicContact CD2-CG2 3.48Å; L343-V357 VanDerWaalsContact CD2-CG2 3.48Å; L343-V357 HydrophobicContact CG-CG2 4.16Å
344L75.3Confident76.9Confident55 Ų5557.8 Ų57.829%0.28833%0.334SS..SBendtrans-64138.6177.3-71177000111.4F285 N346 W373F285-L344 HydrophobicContact CD2-CD1 3.32Å; F285-L344 HydrophobicContact CD2-CG 3.91Å; F285-L344 HydrophobicContact CE2-CD1 3.19Å; F285-L344 HydrophobicContact CE2-CG 4.22Å; F285-L344 HydrophobicContact CG-CD1 4.3Å; F285-L344 HydrophobicContact CZ-CD1 4.07Å; L344-N346 PolarHBondContact O-N 3.13Å; L344-W373 HydrophobicContact CD1-CH2 3.43Å; L344-W373 VanDerWaalsContact CD1-CH2 3.43Å; L344-W373 HydrophobicContact CD1-CZ3 3.62Å; L344-W373 HydrophobicContact CD2-CH2 4.29Å; L344-W373 HydrophobicContact CD2-CZ3 4.12Å; L344-W373 HydrophobicContact CG-CZ3 4.49Å
345P54.1Low76.7Confident98 Ų9862.8 Ų62.864%0.63636%0.355SS*.  trans-74.1104.2-167.927.5-33.4000112.1S347P345-S347 VanDerWaalsContact C-N 3.28Å; P345-S347 PolarHBondContact O-N 3.22Å
346N51.3Low76.4Confident139 Ų13965.1 Ų65.174%0.74337%0.367SS*.SBendtrans-8280.6144.8-86.2-15.4000108.1L344 N348L344-N346 PolarHBondContact O-N 3.13Å; N346-N348 PolarHBondContact O-N 3.5Å
347S47.8Very low76.2Confident114 Ų11464.9 Ų64.980%0.79737%0.368SS*.SBendtrans45.6-8.1169.455.90000120.8P345P345-S347 VanDerWaalsContact C-N 3.28Å; P345-S347 PolarHBondContact O-N 3.22Å
348N47Very low75.8Confident143 Ų14368.2 Ų68.277%0.76539%0.387SS*.  trans-141.957.2-172.2-76.4-22.6000109.6N346 S350N346-N348 PolarHBondContact O-N 3.5Å; N348-S350 PolarHBondContact O-N 2.75Å
349C51.7Low75.4Confident79 Ų7971.6 Ų71.653%0.53441%0.411SS..  trans-66.4102.4168-159.50000107.3
350S61.3Low75Confident59 Ų5971.1 Ų71.141%0.41341%0.408SS..  trans-65.7145.1179.763.10000109.4N348 N352 T353N348-S350 PolarHBondContact O-N 2.75Å; S350-N352 PolarHBondContact O-N 2.84Å; S350-T353 WeakPolarHBondContact O-CB 3.47Å; S350-T353 PolarHBondContact O-N 2.62Å; S350-T353 PolarHBondContact OG-OG1 3.22Å; S350-T353 VanDerWaalsContact OG-OG1 3.08Å
351L61.1Low74.5Confident138 Ų13875 Ų7572%0.72342%0.422SS*.Hα-helixtrans-48.8-31.1175.6-144.399.9000112.2T353 Q355L351-T353 VanDerWaalsContact C-N 3.33Å; L351-T353 PolarHBondContact O-N 2.97Å; L351-Q355 WeakPolarHBondContact O-CG 3.34Å; L351-Q355 PolarHBondContact O-N 3.28Å
352N76.9Confident74.1Confident116 Ų11681.1 Ų81.162%0.6245%0.449SS*.Hα-helixtrans-65-31.5178.1-63.9-5.6000113.4S350 L356S350-N352 PolarHBondContact O-N 2.84Å; N352-L356 WeakPolarHBondContact O-CB 3.22Å; N352-L356 PolarHBondContact O-N 3.37Å
353T81.1Confident73.7Confident13 Ų1380 Ų808%0.0845%0.446CS..Hα-helixtrans-70.9-45.9-176.8-57.10000111Q341 L343 S350 L351 Q355 L356 V357Q341-T353 PolarHBondContact NE2-OG1 3.09Å; L343-T353 HydrophobicContact CD2-CG2 3.38Å; S350-T353 WeakPolarHBondContact O-CB 3.47Å; S350-T353 PolarHBondContact O-N 2.62Å; S350-T353 PolarHBondContact OG-OG1 3.22Å; S350-T353 VanDerWaalsContact OG-OG1 3.08Å; L351-T353 VanDerWaalsContact C-N 3.33Å; L351-T353 PolarHBondContact O-N 2.97Å; T353-Q355 PolarHBondContact O-N 3.31Å; T353-L356 PolarHBondContact O-N 3.45Å; T353-V357 WeakPolarHBondContact O-CG2 3.36Å; T353-V357 PolarHBondContact O-N 3.19Å
354A81.2Confident73.2Confident53 Ų5387.6 Ų87.644%0.43848%0.478SS..Hα-helixtrans-61.7-44.5177.400000111.7L356 V357 D358A354-L356 VanDerWaalsContact C-N 3.31Å; A354-L356 PolarHBondContact O-N 3.27Å; A354-V357 PolarHBondContact O-N 2.86Å; A354-D358 PolarHBondContact O-N 3.24Å
355Q84.6Confident73.6Confident118 Ų11887 Ų8755%0.55149%0.485SS*.Hα-helixtrans-60.9-38.9176.1-70.1178.6-10.600112.7L351 T353 S359L351-Q355 WeakPolarHBondContact O-CG 3.34Å; L351-Q355 PolarHBondContact O-N 3.28Å; T353-Q355 PolarHBondContact O-N 3.31Å; Q355-S359 WeakPolarHBondContact O-CB 3.32Å; Q355-S359 PolarHBondContact O-N 3.43Å
356L85.7Confident75.1Confident49 Ų4982.5 Ų82.526%0.25746%0.456SS..Hα-helixtrans-65-45177.1-177.965.2000111.7L287 N352 T353 A354 S359 W360 F404L287-L356 HydrophobicContact CD1-CD2 3.65Å; L287-L356 HydrophobicContact CD1-CG 3.87Å; N352-L356 WeakPolarHBondContact O-CB 3.22Å; N352-L356 PolarHBondContact O-N 3.37Å; T353-L356 PolarHBondContact O-N 3.45Å; A354-L356 VanDerWaalsContact C-N 3.31Å; A354-L356 PolarHBondContact O-N 3.27Å; L356-S359 WeakPolarHBondContact O-CB 3.46Å; L356-S359 PolarHBondContact O-N 3.48Å; L356-W360 VanDerWaalsContact O-CD1 3.28Å; L356-W360 PolarHBondContact O-N 3.16Å; L356-F404 HydrophobicContact CD2-CE2 3.92Å; L356-F404 HydrophobicContact CD2-CZ 4.31Å
357V86.6Confident76.6Confident11 Ų1176.7 Ų76.77%0.06743%0.425CS..Hα-helixtrans-60.4-47.9176.6175.20000110.6L287 L343 T353 A354 S359 W360 R361L287-V357 HydrophobicContact CD1-CG2 4.2Å; L287-V357 HydrophobicContact CD2-CG2 4.26Å; L287-V357 HydrophobicContact CG-CG2 4.45Å; L343-V357 HydrophobicContact CD1-CG2 3.57Å; L343-V357 HydrophobicContact CD2-CG2 3.48Å; L343-V357 VanDerWaalsContact CD2-CG2 3.48Å; L343-V357 HydrophobicContact CG-CG2 4.16Å; T353-V357 WeakPolarHBondContact O-CG2 3.36Å; T353-V357 PolarHBondContact O-N 3.19Å; A354-V357 PolarHBondContact O-N 2.86Å; V357-S359 VanDerWaalsContact C-N 3.26Å; V357-S359 PolarHBondContact O-N 3.09Å; V357-W360 PolarHBondContact O-N 3.42Å; V357-W360 VanDerWaalsContact O-N 3.16Å; V357-R361 HydrophobicContact CG1-CG 4.49Å; V357-R361 WeakPolarHBondContact O-CG 3.39Å; V357-R361 PolarHBondContact O-N 2.94Å
358D87Confident78.5Confident90 Ų9072.5 Ų72.548%0.48139%0.394SS..Hα-helixtrans-61.3-35.7177.5-74.5-22.2000112.5A354 K362A354-D358 PolarHBondContact O-N 3.24Å; D358-K362 WeakPolarHBondContact O-CG 3.48Å
359S87.3Confident80.4Confident71 Ų7166.3 Ų66.350%0.49736%0.361SS..Hα-helixtrans-67.4-45.3174.3-173.60000111.5Q355 L356 V357 R361 K362 D363Q355-S359 WeakPolarHBondContact O-CB 3.32Å; Q355-S359 PolarHBondContact O-N 3.43Å; L356-S359 WeakPolarHBondContact O-CB 3.46Å; L356-S359 PolarHBondContact O-N 3.48Å; V357-S359 VanDerWaalsContact C-N 3.26Å; V357-S359 PolarHBondContact O-N 3.09Å; S359-R361 VanDerWaalsContact C-N 3.34Å; S359-K362 PolarHBondContact O-N 3.04Å; S359-D363 PolarHBondContact O-N 2.98Å
360W87.8Confident82.1Confident19 Ų1964.8 Ų64.87%0.07235%0.346CS..Hα-helixtrans-65.2-37179.1-83.642000111.9R271 I273 L287 L288 W289 L356 V357 K362 D363 V366 F404R271-W360 HydrophobicContact CB-CE3 4.45Å; R271-W360 HydrophobicContact CB-CH2 4.21Å; R271-W360 HydrophobicContact CB-CZ3 3.96Å; R271-W360 HydrophobicContact CG-CH2 4.34Å; I273-W360 HydrophobicContact CD1-CB 4.04Å; I273-W360 HydrophobicContact CG1-CB 4.32Å; I273-W360 HydrophobicContact CG1-CE3 4.33Å; L287-W360 HydrophobicContact CB-CE3 4.31Å; L287-W360 HydrophobicContact CB-CH2 4.28Å; L287-W360 HydrophobicContact CB-CZ3 3.97Å; L287-W360 HydrophobicContact CD1-CD2 4.38Å; L287-W360 HydrophobicContact CD2-CD2 4.33Å; L287-W360 HydrophobicContact CD2-CE3 3.87Å; L287-W360 HydrophobicContact CD2-CZ3 4.34Å; L287-W360 HydrophobicContact CG-CE3 4.45Å; L288-W360 WeakPolarHBondContact O-CZ3 3.48Å; W289-W360 HydrophobicContact CE3-CZ2 4.39Å; L356-W360 VanDerWaalsContact O-CD1 3.28Å; L356-W360 PolarHBondContact O-N 3.16Å; V357-W360 PolarHBondContact O-N 3.42Å; V357-W360 VanDerWaalsContact O-N 3.16Å; W360-K362 PolarHBondContact O-N 3.33Å; W360-D363 PolarHBondContact O-N 2.91Å; W360-D363 VanDerWaalsContact O-N 3.1Å; W360-V366 HydrophobicContact CB-CG1 4.3Å; W360-V366 HydrophobicContact CB-CG2 4.12Å; W360-V366 HydrophobicContact CD2-CG2 4.16Å; W360-V366 HydrophobicContact CE3-CG1 3.99Å; W360-V366 HydrophobicContact CE3-CG2 4.1Å; W360-V366 HydrophobicContact CG-CG2 4.2Å; W360-V366 WeakPolarHBondContact O-CB 3.42Å; W360-V366 WeakPolarHBondContact O-CG2 3.48Å; W360-F404 HydrophobicContact CH2-CE1 4.04Å; W360-F404 AromaticContact CH2-CZ 3.74Å; W360-F404 HydrophobicContact CH2-CZ 3.74Å; W360-F404 HydrophobicContact CZ2-CE1 4.31Å; W360-F404 HydrophobicContact CZ2-CE2 4.37Å; W360-F404 AromaticContact CZ2-CZ 3.57Å; W360-F404 HydrophobicContact CZ2-CZ 3.57Å
361R84.7Confident83.5Confident89 Ų8962.1 Ų62.134%0.33633%0.327SS..Hα-helixtrans-61-25.5174.9-75.7179.5170.1-78.64.4113.7I273 D284 V357 S359I273-R361 HydrophobicContact CD1-CB 4.42Å; I273-R361 HydrophobicContact CD1-CG 3.59Å; D284-R361 IonicContact OD1-CZ 2.75Å; D284-R361 IonicContact OD1-NH2 2.9Å; D284-R361 PolarHBondContact OD1-NH2 2.83Å; D284-R361 IonicContact OD2-CZ 2.67Å; D284-R361 IonicContact OD2-NE 3.98Å; D284-R361 PolarHBondContact OD2-NE 2.84Å; D284-R361 IonicContact OD2-NH2 2.67Å; D284-R361 PolarHBondContact OD2-NH2 3.31Å; V357-R361 HydrophobicContact CG1-CG 4.49Å; V357-R361 WeakPolarHBondContact O-CG 3.39Å; V357-R361 PolarHBondContact O-N 2.94Å; S359-R361 VanDerWaalsContact C-N 3.34Å
362K85.6Confident85Confident153 Ų15355.5 Ų55.567%0.66529%0.292SS*.THydrogen-bonded Turntrans-93.8-4.5179.4-66.3171.9-172.9172.10112.9D358 S359 W360D358-K362 WeakPolarHBondContact O-CG 3.48Å; S359-K362 PolarHBondContact O-N 3.04Å; W360-K362 PolarHBondContact O-N 3.33Å
363D81.9Confident85.8Confident56 Ų5653.7 Ų53.730%0.29928%0.277SS..  trans-95.8117.9-176.2-172.2-28.3000110.5R271 S359 W360 G365 V366R271-D363 IonicContact CZ-OD1 2.97Å; R271-D363 IonicContact CZ-OD2 2.74Å; R271-D363 IonicContact NH1-OD1 3.77Å; R271-D363 IonicContact NH1-OD2 2.69Å; R271-D363 PolarHBondContact NH1-OD2 2.8Å; R271-D363 IonicContact NH2-OD1 2.72Å; R271-D363 PolarHBondContact NH2-OD1 2.84Å; R271-D363 IonicContact NH2-OD2 3.87Å; R271-D363 PolarHBondContact NH2-OD2 2.93Å; S359-D363 PolarHBondContact O-N 2.98Å; W360-D363 PolarHBondContact O-N 2.91Å; W360-D363 VanDerWaalsContact O-N 3.1Å; D363-G365 PolarHBondContact O-N 3.28Å; D363-G365 VanDerWaalsContact O-N 3.1Å; D363-G365 PolarHBondContact OD1-N 3.38Å; D363-V366 HydrophobicContact CB-CG2 3.91Å; D363-V366 WeakPolarHBondContact O-CB 3.25Å; D363-V366 PolarHBondContact O-N 2.85Å
364F77.2Confident86.4Confident176 Ų17655.4 Ų55.477%0.77228%0.284SS*.THydrogen-bonded Turntrans-59.7-21.7-178.1-63.5-78.9000114.1V366F364-V366 VanDerWaalsContact C-N 3.28Å; F364-V366 PolarHBondContact O-N 2.97Å
365G82.8Confident87Confident43 Ų4352.9 Ų52.944%0.44326%0.263SS..THydrogen-bonded Turntrans-9016.3177.100000113.8R271 D363R271-G365 PolarHBondContact NE-O 3.17Å; R271-G365 VanDerWaalsContact NH2-CA 3.26Å; R271-G365 PolarHBondContact NH2-O 2.83Å; R271-G365 VanDerWaalsContact NH2-O 3.12Å; D363-G365 PolarHBondContact O-N 3.28Å; D363-G365 VanDerWaalsContact O-N 3.1Å; D363-G365 PolarHBondContact OD1-N 3.38Å
366V85.5Confident87.5Confident4 Ų447.3 Ų47.32%0.02424%0.237CC..  trans-111.5126.8176.6176.40000109.3V156 R271 I273 W360 D363 F364V156-V366 WeakPolarHBondContact CB-O 3.49Å; V156-V366 WeakPolarHBondContact CG1-O 3.3Å; R271-V366 HydrophobicContact CB-CG2 4.04Å; R271-V366 WeakPolarHBondContact O-CA 3.39Å; I273-V366 HydrophobicContact CD1-CG1 3.8Å; I273-V366 HydrophobicContact CG1-CG1 3.68Å; W360-V366 HydrophobicContact CB-CG1 4.3Å; W360-V366 HydrophobicContact CB-CG2 4.12Å; W360-V366 HydrophobicContact CD2-CG2 4.16Å; W360-V366 HydrophobicContact CE3-CG1 3.99Å; W360-V366 HydrophobicContact CE3-CG2 4.1Å; W360-V366 HydrophobicContact CG-CG2 4.2Å; W360-V366 WeakPolarHBondContact O-CB 3.42Å; W360-V366 WeakPolarHBondContact O-CG2 3.48Å; D363-V366 HydrophobicContact CB-CG2 3.91Å; D363-V366 WeakPolarHBondContact O-CB 3.25Å; D363-V366 PolarHBondContact O-N 2.85Å; F364-V366 VanDerWaalsContact C-N 3.28Å; F364-V366 PolarHBondContact O-N 2.97Å
367T84.6Confident87.9Confident16 Ų1648.8 Ų48.810%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-90.7140175.4-53.40000110.4T158 Q269 R271 V272 I273 I369T158-T367 HydrophobicContact CG2-CG2 3.7Å; Q269-T367 HydrophobicContact CG-CG2 4.23Å; Q269-T367 WeakPolarHBondContact CG-OG1 3.46Å; R271-T367 PolarHBondContact O-N 2.72Å; V272-T367 CarbonylContact C-O 3.49Å; V272-T367 VanDerWaalsContact CA-O 3.23Å; V272-T367 WeakPolarHBondContact CA-O 3.44Å; I273-T367 PolarHBondContact N-O 3.04Å; T367-I369 HydrophobicContact CG2-CD1 4.43Å; T367-I369 HydrophobicContact CG2-CG1 4.05Å
368L86.1Confident88.3Confident26 Ų2648.9 Ų48.914%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-103.3127172.4-17961.9000109.7I273 S275 H370I273-L368 HydrophobicContact CB-CD1 3.77Å; I273-L368 HydrophobicContact CG2-CD1 3.61Å; S275-L368 WeakPolarHBondContact OG-CD1 3.34Å; L368-H370 VanDerWaalsContact CD2-CE1 3.48Å; L368-H370 WeakPolarHBondContact CD2-CE1 3.48Å; L368-H370 VanDerWaalsContact CG-CE1 3.47Å; L368-H370 WeakPolarHBondContact CG-CE1 3.34Å
369I87.3Confident88.8Confident14 Ų1444.6 Ų44.67%0.07222%0.224CC..EExtended strand (participates in β ladder)trans-124.2132.2178.2-60.3-174.5000109.8L264 V272 I273 L274 S275 T367 M371L264-I369 HydrophobicContact CD1-CD1 4.28Å; L264-I369 HydrophobicContact CD2-CD1 3.16Å; L264-I369 HydrophobicContact CG-CD1 4.32Å; V272-I369 HydrophobicContact CG1-CB 4.13Å; V272-I369 HydrophobicContact CG1-CD1 3.74Å; V272-I369 HydrophobicContact CG1-CG1 3.77Å; I273-I369 PolarHBondContact O-N 2.85Å; L274-I369 HydrophobicContact CD1-CB 4.48Å; L274-I369 HydrophobicContact CD1-CG2 4.36Å; S275-I369 PolarHBondContact N-O 3.18Å; T367-I369 HydrophobicContact CG2-CD1 4.43Å; T367-I369 HydrophobicContact CG2-CG1 4.05Å; I369-M371 HydrophobicContact CG2-CG 3.87Å
370H88.1Confident89.2Confident46 Ų4642 Ų4221%0.21321%0.207CC..EExtended strand (participates in β ladder)trans-106.6116.2177-57.3-49.1000109.4F199 W224 S275 I277 L368F199-H370 HydrophobicContact CE1-CB 3.98Å; F199-H370 HydrophobicContact CE2-CB 4.32Å; F199-H370 HydrophobicContact CZ-CB 3.5Å; F199-H370 AromaticContact CZ-CD2 3.72Å; F199-H370 AromaticContact CZ-CG 3.81Å; W224-H370 WeakPolarHBondContact CZ2-O 3.46Å; S275-H370 WeakPolarHBondContact O-CA 3.47Å; I277-H370 HydrophobicContact CD1-CB 3.96Å; I277-H370 HydrophobicContact CG1-CB 3.96Å; L368-H370 VanDerWaalsContact CD2-CE1 3.48Å; L368-H370 WeakPolarHBondContact CD2-CE1 3.48Å; L368-H370 VanDerWaalsContact CG-CE1 3.47Å; L368-H370 WeakPolarHBondContact CG-CE1 3.34Å
371M90.5Very high89.5Confident3 Ų343.7 Ų43.72%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-124.1156.7176-62.7-162-68.400110.9W224 L260 L274 S275 A276 I277 I369 T375W224-M371 HydrophobicContact CH2-CG 3.86Å; W224-M371 HydrophobicContact CH2-SD 4.36Å; W224-M371 HydrophobicContact CZ2-CG 4.02Å; W224-M371 HydrophobicContact CZ3-CG 4.31Å; W224-M371 HydrophobicContact CZ3-SD 4.31Å; L260-M371 HydrophobicContact CD1-SD 4.32Å; L260-M371 HydrophobicContact CD2-CE 3.68Å; L260-M371 HydrophobicContact CD2-SD 3.66Å; L274-M371 HydrophobicContact CD1-CB 4.08Å; L274-M371 HydrophobicContact CD1-CE 3.3Å; L274-M371 HydrophobicContact CD1-CG 3.82Å; L274-M371 HydrophobicContact CD1-SD 4.31Å; L274-M371 HydrophobicContact CD2-CE 3.52Å; L274-M371 HydrophobicContact CG-CE 4.04Å; S275-M371 PolarHBondContact O-N 3.18Å; A276-M371 CarbonylContact C-O 3.48Å; A276-M371 WeakPolarHBondContact CA-O 3.43Å; I277-M371 PolarHBondContact N-O 3.35Å; I369-M371 HydrophobicContact CG2-CG 3.87Å; M371-T375 HydrophobicContact CB-CG2 4.12Å; M371-T375 HydrophobicContact CE-CG2 4.11Å; M371-T375 HydrophobicContact CG-CG2 4.49Å; M371-T375 HydrophobicContact SD-CG2 3.68Å
372P93.2Very high90.1Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-53.7144.9172.2-27.737.7000111.6A208 W224 E374 T375 C376A208-P372 HydrophobicContact CB-CB 4.06Å; A208-P372 HydrophobicContact CB-CG 4.28Å; A208-P372 WeakPolarHBondContact O-CB 3.48Å; A208-P372 WeakPolarHBondContact O-CG 3.49Å; W224-P372 HydrophobicContact CB-CG 4.07Å; W224-P372 VanDerWaalsContact CD1-CG 3.4Å; W224-P372 HydrophobicContact CG-CG 3.75Å; P372-E374 VanDerWaalsContact C-N 3.26Å; P372-E374 PolarHBondContact O-N 2.98Å; P372-T375 WeakPolarHBondContact O-CA 3.47Å; P372-T375 VanDerWaalsContact O-CB 3.29Å; P372-T375 WeakPolarHBondContact O-CB 3.47Å; P372-T375 PolarHBondContact O-N 2.88Å; P372-C376 PolarHBondContact O-N 2.95Å
373W93.7Very high90.6Very high77 Ų7732.2 Ų32.229%0.29218%0.177SC..Hα-helixtrans-50.4-46178.5171.6-101.8000113A276 I277 T278 L283 F285 L344 T375 C376 I377A276-W373 HydrophobicContact CB-CE3 3.65Å; A276-W373 HydrophobicContact CB-CZ3 4.34Å; I277-W373 PolarHBondContact O-N 2.75Å; I277-W373 VanDerWaalsContact O-N 3.15Å; T278-W373 HydrophobicContact CG2-CB 4.35Å; T278-W373 HydrophobicContact CG2-CE3 4.13Å; L283-W373 HydrophobicContact CD1-CE3 4.43Å; L283-W373 HydrophobicContact CD1-CZ3 4.06Å; F285-W373 HydrophobicContact CD2-CE3 4.35Å; F285-W373 HydrophobicContact CD2-CZ3 4.02Å; F285-W373 HydrophobicContact CE2-CE3 4.41Å; F285-W373 HydrophobicContact CE2-CH2 4.4Å; F285-W373 HydrophobicContact CE2-CZ3 4.08Å; L344-W373 HydrophobicContact CD1-CH2 3.43Å; L344-W373 VanDerWaalsContact CD1-CH2 3.43Å; L344-W373 HydrophobicContact CD1-CZ3 3.62Å; L344-W373 HydrophobicContact CD2-CH2 4.29Å; L344-W373 HydrophobicContact CD2-CZ3 4.12Å; L344-W373 HydrophobicContact CG-CZ3 4.49Å; W373-T375 VanDerWaalsContact C-N 3.29Å; W373-T375 PolarHBondContact O-N 3.4Å; W373-C376 WeakPolarHBondContact O-CB 3.26Å; W373-C376 PolarHBondContact O-N 2.66Å; W373-I377 HydrophobicContact CD2-CD1 4.29Å; W373-I377 VanDerWaalsContact CE2-CD1 3.43Å; W373-I377 HydrophobicContact CG-CD1 4.48Å; W373-I377 HydrophobicContact CZ2-CD1 3.74Å; W373-I377 HydrophobicContact CZ2-CG1 4.27Å; W373-I377 PolarHBondContact O-N 3.29Å
374E93.3Very high91.2Very high50 Ų5032 Ų3223%0.23418%0.18CC..Hα-helixtrans-62.4-38.3178.5-66.565.4-139.700111.3F105 M207 P372 I377 G378F105-E374 HydrophobicContact CD1-CG 4.36Å; F105-E374 HydrophobicContact CE1-CB 3.86Å; F105-E374 HydrophobicContact CE1-CG 3.69Å; F105-E374 HydrophobicContact CZ-CB 3.79Å; F105-E374 HydrophobicContact CZ-CG 3.83Å; M207-E374 HydrophobicContact SD-CG 4.46Å; P372-E374 VanDerWaalsContact C-N 3.26Å; P372-E374 PolarHBondContact O-N 2.98Å; E374-I377 PolarHBondContact O-N 2.76Å; E374-G378 PolarHBondContact O-N 3.41Å
375T94.2Very high92Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-64.7-42.1176.3-58.20000111.2N226 F256 Y257 M371 P372 W373 G378 F379N226-T375 WeakPolarHBondContact ND2-CG2 3.15Å; N226-T375 PolarHBondContact ND2-OG1 3.24Å; N226-T375 PolarHBondContact OD1-OG1 3.06Å; F256-T375 HydrophobicContact CE1-CG2 3.55Å; F256-T375 HydrophobicContact CZ-CG2 4.01Å; Y257-T375 HydrophobicContact CE1-CG2 4.18Å; Y257-T375 PolarHBondContact OH-O 3.22Å; M371-T375 HydrophobicContact CB-CG2 4.12Å; M371-T375 HydrophobicContact CE-CG2 4.11Å; M371-T375 HydrophobicContact CG-CG2 4.49Å; M371-T375 HydrophobicContact SD-CG2 3.68Å; P372-T375 WeakPolarHBondContact O-CA 3.47Å; P372-T375 VanDerWaalsContact O-CB 3.29Å; P372-T375 WeakPolarHBondContact O-CB 3.47Å; P372-T375 PolarHBondContact O-N 2.88Å; W373-T375 VanDerWaalsContact C-N 3.29Å; W373-T375 PolarHBondContact O-N 3.4Å; T375-G378 PolarHBondContact O-N 2.94Å; T375-F379 WeakPolarHBondContact O-CB 3.34Å; T375-F379 PolarHBondContact O-N 3.38Å
376C94.3Very high92.6Very high0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-63.6-43.9175.2-68.60000112.1L274 A276 F285 P372 W373 F379 S380L274-C376 HydrophobicContact CD2-CB 4.46Å; A276-C376 HydrophobicContact CB-CB 4.19Å; F285-C376 HydrophobicContact CD1-CB 3.71Å; F285-C376 HydrophobicContact CD2-CB 3.67Å; F285-C376 HydrophobicContact CE1-CB 3.7Å; F285-C376 VanDerWaalsContact CE1-O 3.24Å; F285-C376 WeakPolarHBondContact CE1-O 3.4Å; F285-C376 HydrophobicContact CE2-CB 3.64Å; F285-C376 HydrophobicContact CG-CB 3.73Å; F285-C376 VanDerWaalsContact CZ-C 3.43Å; F285-C376 HydrophobicContact CZ-CB 3.68Å; F285-C376 WeakPolarHBondContact CZ-O 3.22Å; P372-C376 PolarHBondContact O-N 2.95Å; W373-C376 WeakPolarHBondContact O-CB 3.26Å; W373-C376 PolarHBondContact O-N 2.66Å; C376-F379 PolarHBondContact O-N 2.81Å; C376-S380 WeakPolarHBondContact O-CB 3.35Å; C376-S380 PolarHBondContact O-N 3.17Å
377I94.8Very high93Very high80 Ų8026.1 Ų26.141%0.4114%0.143SC..Hα-helixtrans-60.6-50.6175-71.2-179.4000110.8F285 W373 E374 F379 S380 A381F285-I377 HydrophobicContact CE2-CG1 4.34Å; F285-I377 HydrophobicContact CZ-CG1 4.43Å; W373-I377 HydrophobicContact CD2-CD1 4.29Å; W373-I377 VanDerWaalsContact CE2-CD1 3.43Å; W373-I377 HydrophobicContact CG-CD1 4.48Å; W373-I377 HydrophobicContact CZ2-CD1 3.74Å; W373-I377 HydrophobicContact CZ2-CG1 4.27Å; W373-I377 PolarHBondContact O-N 3.29Å; E374-I377 PolarHBondContact O-N 2.76Å; I377-F379 VanDerWaalsContact C-N 3.27Å; I377-F379 PolarHBondContact O-N 2.67Å; I377-S380 WeakPolarHBondContact O-CB 3.34Å; I377-S380 PolarHBondContact O-N 2.8Å; I377-A381 PolarHBondContact O-N 2.84Å
378G95.2Very high93.5Very high13 Ų1328.1 Ų28.113%0.13416%0.158CC..Hα-helixtrans-63.1-35.6-179.900000111.9Y257 E374 T375 A381 C382Y257-G378 WeakPolarHBondContact CE2-O 3.45Å; Y257-G378 WeakPolarHBondContact OH-CA 3.35Å; E374-G378 PolarHBondContact O-N 3.41Å; T375-G378 PolarHBondContact O-N 2.94Å; G378-A381 PolarHBondContact O-N 3.06Å; G378-C382 WeakPolarHBondContact O-CB 3.47Å; G378-C382 PolarHBondContact O-N 2.79Å
379F96.4Very high93.8Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-65.5-42.9175-173.6-133.5000111.8Y257 V261 L274 M286 L288 T375 C376 I377 A381 C382 L383 V409Y257-F379 HydrophobicContact CD1-CB 3.68Å; Y257-F379 AromaticContact CD1-CD2 3.36Å; Y257-F379 HydrophobicContact CD1-CD2 3.36Å; Y257-F379 HydrophobicContact CD1-CE2 4.3Å; Y257-F379 AromaticContact CD1-CG 3.87Å; Y257-F379 HydrophobicContact CD1-CG 3.87Å; Y257-F379 HydrophobicContact CE1-CB 3.49Å; Y257-F379 VanDerWaalsContact CE1-CB 3.49Å; Y257-F379 HydrophobicContact CE1-CD2 4.11Å; Y257-F379 HydrophobicContact CE1-CG 4.2Å; Y257-F379 HydrophobicContact CG-CB 4.46Å; Y257-F379 AromaticContact CG-CD2 3.63Å; Y257-F379 HydrophobicContact CG-CD2 3.63Å; Y257-F379 HydrophobicContact CG-CE2 4.4Å; Y257-F379 HydrophobicContact CG-CG 4.5Å; Y257-F379 PolarHBondContact OH-N 2.92Å; V261-F379 HydrophobicContact CG2-CE2 4.16Å; V261-F379 HydrophobicContact CG2-CZ 3.94Å; L274-F379 HydrophobicContact CD2-CD1 3.98Å; M286-F379 HydrophobicContact SD-CE1 4.47Å; L288-F379 HydrophobicContact CD1-CE1 3.72Å; L288-F379 HydrophobicContact CD1-CZ 4.39Å; L288-F379 HydrophobicContact CD2-CE1 3.89Å; L288-F379 HydrophobicContact CD2-CZ 4.48Å; L288-F379 HydrophobicContact CG-CE1 4.44Å; T375-F379 WeakPolarHBondContact O-CB 3.34Å; T375-F379 PolarHBondContact O-N 3.38Å; C376-F379 PolarHBondContact O-N 2.81Å; I377-F379 VanDerWaalsContact C-N 3.27Å; I377-F379 PolarHBondContact O-N 2.67Å; F379-A381 VanDerWaalsContact C-N 3.33Å; F379-A381 PolarHBondContact O-N 2.97Å; F379-C382 WeakPolarHBondContact O-CB 3.36Å; F379-C382 PolarHBondContact O-N 2.76Å; F379-L383 HydrophobicContact CD1-CD1 4.04Å; F379-L383 HydrophobicContact CD2-CG 4.45Å; F379-L383 HydrophobicContact CE1-CD1 3.76Å; F379-L383 HydrophobicContact CE1-CG 4.42Å; F379-L383 HydrophobicContact CE2-CD1 4.38Å; F379-L383 HydrophobicContact CE2-CD2 4.43Å; F379-L383 HydrophobicContact CE2-CG 4.18Å; F379-L383 HydrophobicContact CG-CD1 4.48Å; F379-L383 HydrophobicContact CZ-CD1 3.95Å; F379-L383 HydrophobicContact CZ-CD2 4.29Å; F379-L383 HydrophobicContact CZ-CG 4.16Å; F379-L383 WeakPolarHBondContact O-CG 3.49Å; F379-L383 PolarHBondContact O-N 2.96Å; F379-V409 HydrophobicContact CE2-CG1 3.81Å; F379-V409 HydrophobicContact CZ-CG1 4.32Å
380S95.4Very high94.2Very high18 Ų1830 Ų3013%0.12616%0.162CC..Hα-helixtrans-60.3-40.6173.2167.90000112.8Q342 C376 I377 L383 S384Q342-S380 PolarHBondContact NE2-OG 3.33Å; C376-S380 WeakPolarHBondContact O-CB 3.35Å; C376-S380 PolarHBondContact O-N 3.17Å; I377-S380 WeakPolarHBondContact O-CB 3.34Å; I377-S380 PolarHBondContact O-N 2.8Å; S380-L383 PolarHBondContact O-N 2.67Å; S380-S384 WeakPolarHBondContact O-CB 3.44Å; S380-S384 PolarHBondContact O-N 3.43Å; S380-S384 PolarHBondContact O-OG 3.26Å
381A95.3Very high94.4Very high54 Ų5428.1 Ų28.145%0.44616%0.155SC..Hα-helixtrans-65-44.5174.700000111.6I377 G378 F379 S384 Q385I377-A381 PolarHBondContact O-N 2.84Å; G378-A381 PolarHBondContact O-N 3.06Å; F379-A381 VanDerWaalsContact C-N 3.33Å; F379-A381 PolarHBondContact O-N 2.97Å; A381-S384 PolarHBondContact O-N 2.8Å; A381-Q385 WeakPolarHBondContact O-CB 3.28Å; A381-Q385 PolarHBondContact O-N 3.07Å
382C95.8Very high94.4Very high0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-54.9-55.2172.2171.50000110.8M254 Y257 G378 F379 S384 Q385 F386M254-C382 HydrophobicContact CE-CB 4.08Å; M254-C382 HydrophobicContact SD-CB 3.78Å; Y257-C382 HydrophobicContact CD2-CB 3.64Å; Y257-C382 HydrophobicContact CE2-CB 4.16Å; Y257-C382 HydrophobicContact CG-CB 4.28Å; G378-C382 WeakPolarHBondContact O-CB 3.47Å; G378-C382 PolarHBondContact O-N 2.79Å; F379-C382 WeakPolarHBondContact O-CB 3.36Å; F379-C382 PolarHBondContact O-N 2.76Å; C382-S384 VanDerWaalsContact C-N 3.29Å; C382-S384 PolarHBondContact O-N 2.95Å; C382-Q385 WeakPolarHBondContact O-CB 3.41Å; C382-Q385 PolarHBondContact O-N 3.07Å; C382-Q385 VanDerWaalsContact O-N 3.14Å; C382-F386 VanDerWaalsContact O-CD2 3.28Å; C382-F386 WeakPolarHBondContact O-CD2 3.38Å; C382-F386 PolarHBondContact O-N 2.72Å; C382-F386 VanDerWaalsContact O-N 3.09Å
383L96.5Very high94.1Very high0 Ų033.9 Ų33.90%019%0.187CC..Hα-helixtrans-54.4-46.6177.6-74.7170.3000111.3M286 L288 V338 Y340 F379 S380 Q385 F386 S387 V409M286-L383 HydrophobicContact CE-CD1 3.87Å; M286-L383 HydrophobicContact SD-CD1 3.49Å; M286-L383 WeakPolarHBondContact SD-CD1 3.32Å; L288-L383 HydrophobicContact CD2-CD1 4.31Å; V338-L383 HydrophobicContact CB-CD2 4.04Å; V338-L383 HydrophobicContact CG1-CD2 3.98Å; V338-L383 HydrophobicContact CG2-CD2 4.47Å; Y340-L383 HydrophobicContact CD1-CB 4.45Å; Y340-L383 HydrophobicContact CD1-CD1 4.19Å; Y340-L383 HydrophobicContact CD1-CD2 4.22Å; Y340-L383 HydrophobicContact CD2-CD1 4.17Å; Y340-L383 HydrophobicContact CE1-CB 4.09Å; Y340-L383 HydrophobicContact CE1-CD2 4.46Å; Y340-L383 HydrophobicContact CE2-CB 4.41Å; Y340-L383 HydrophobicContact CG-CD1 3.94Å; F379-L383 HydrophobicContact CD1-CD1 4.04Å; F379-L383 HydrophobicContact CD2-CG 4.45Å; F379-L383 HydrophobicContact CE1-CD1 3.76Å; F379-L383 HydrophobicContact CE1-CG 4.42Å; F379-L383 HydrophobicContact CE2-CD1 4.38Å; F379-L383 HydrophobicContact CE2-CD2 4.43Å; F379-L383 HydrophobicContact CE2-CG 4.18Å; F379-L383 HydrophobicContact CG-CD1 4.48Å; F379-L383 HydrophobicContact CZ-CD1 3.95Å; F379-L383 HydrophobicContact CZ-CD2 4.29Å; F379-L383 HydrophobicContact CZ-CG 4.16Å; F379-L383 WeakPolarHBondContact O-CG 3.49Å; F379-L383 PolarHBondContact O-N 2.96Å; S380-L383 PolarHBondContact O-N 2.67Å; L383-Q385 VanDerWaalsContact C-N 3.34Å; L383-Q385 PolarHBondContact O-N 3.44Å; L383-F386 PolarHBondContact O-N 2.86Å; L383-S387 VanDerWaalsContact O-CB 3.23Å; L383-S387 WeakPolarHBondContact O-CB 3.4Å; L383-S387 PolarHBondContact O-N 2.96Å; L383-S387 PolarHBondContact O-OG 3.08Å; L383-V409 HydrophobicContact CD2-CG1 3.72Å
384S94.4Very high93.9Very high52 Ų5232.3 Ų32.336%0.36419%0.186SC..Hα-helixtrans-61.7-41.1179.9-60.50000112.6S380 A381 C382 S388S380-S384 WeakPolarHBondContact O-CB 3.44Å; S380-S384 PolarHBondContact O-N 3.43Å; S380-S384 PolarHBondContact O-OG 3.26Å; A381-S384 PolarHBondContact O-N 2.8Å; C382-S384 VanDerWaalsContact C-N 3.29Å; C382-S384 PolarHBondContact O-N 2.95Å; S384-S388 WeakPolarHBondContact O-CB 3.33Å; S384-S388 PolarHBondContact O-N 3.18Å
385Q94.6Very high93.9Very high85 Ų8532.9 Ų32.940%0.39719%0.186SC..Hα-helixtrans-61-45.4176.9-175.3-175.74.100111.6A381 C382 L383 S388A381-Q385 WeakPolarHBondContact O-CB 3.28Å; A381-Q385 PolarHBondContact O-N 3.07Å; C382-Q385 WeakPolarHBondContact O-CB 3.41Å; C382-Q385 PolarHBondContact O-N 3.07Å; C382-Q385 VanDerWaalsContact O-N 3.14Å; L383-Q385 VanDerWaalsContact C-N 3.34Å; L383-Q385 PolarHBondContact O-N 3.44Å; Q385-S388 PolarHBondContact O-OG 2.99Å
386F95.2Very high93.7Very high12 Ų1241.2 Ų41.25%0.05322%0.222CC..Hα-helixtrans-79.3-33.6179.6-75.1-79.1000113.1M254 L297 I333 C382 L383 S388 R389 A408 P410M254-F386 HydrophobicContact SD-CE2 3.88Å; L297-F386 HydrophobicContact CD1-CD1 4.48Å; I333-F386 HydrophobicContact CD1-CE1 4.49Å; I333-F386 HydrophobicContact CG2-CE1 4.03Å; C382-F386 VanDerWaalsContact O-CD2 3.28Å; C382-F386 WeakPolarHBondContact O-CD2 3.38Å; C382-F386 PolarHBondContact O-N 2.72Å; C382-F386 VanDerWaalsContact O-N 3.09Å; L383-F386 PolarHBondContact O-N 2.86Å; F386-S388 PolarHBondContact O-N 3.2Å; F386-R389 WeakPolarHBondContact O-CB 3.32Å; F386-R389 PolarHBondContact O-N 3.08Å; F386-A408 HydrophobicContact CB-CB 4.18Å; F386-A408 WeakPolarHBondContact CB-O 3.26Å; F386-P410 HydrophobicContact CE1-CB 4.4Å; F386-P410 HydrophobicContact CE2-CB 4.5Å; F386-P410 HydrophobicContact CE2-CG 3.98Å; F386-P410 HydrophobicContact CZ-CB 3.94Å; F386-P410 HydrophobicContact CZ-CG 3.89Å
387S94.6Very high93.4Very high3 Ų342.8 Ų42.82%0.02123%0.23CC..Hα-helixtrans-58.3-36169.3-64.30000111.7Y340 L383 R389 I390 R395 G407Y340-S387 VanDerWaalsContact CE1-OG 3.28Å; Y340-S387 WeakPolarHBondContact CE1-OG 3.44Å; Y340-S387 PolarHBondContact OH-OG 2.83Å; L383-S387 VanDerWaalsContact O-CB 3.23Å; L383-S387 WeakPolarHBondContact O-CB 3.4Å; L383-S387 PolarHBondContact O-N 2.96Å; L383-S387 PolarHBondContact O-OG 3.08Å; S387-R389 PolarHBondContact O-N 2.73Å; S387-I390 WeakPolarHBondContact O-CB 3.35Å; S387-I390 PolarHBondContact O-N 3.46Å; S387-R395 PolarHBondContact O-NE 2.99Å; S387-G407 WeakPolarHBondContact OG-CA 3.41Å
388S94Very high93Very high58 Ų5845.2 Ų45.241%0.40624%0.244SC..THydrogen-bonded Turntrans-63.6-20.6176.882.60000113.5S384 Q385 F386 R395S384-S388 WeakPolarHBondContact O-CB 3.33Å; S384-S388 PolarHBondContact O-N 3.18Å; Q385-S388 PolarHBondContact O-OG 2.99Å; F386-S388 PolarHBondContact O-N 3.2Å; S388-R395 PolarHBondContact O-NH2 3.25Å
389R93.8Very high92.4Very high77 Ų7746.9 Ų46.929%0.29126%0.262SS..THydrogen-bonded Turntrans-88.8-5.1176.2-62.8177.6-177.3-108.37.1113.5F3 L297 T299 F386 S387F3-R389 WeakPolarHBondContact CD1-O 3.28Å; L297-R389 HydrophobicContact CD1-CB 4Å; T299-R389 WeakPolarHBondContact OG1-CB 3.35Å; T299-R389 PolarHBondContact OG1-O 2.76Å; T299-R389 VanDerWaalsContact OG1-O 3.07Å; F386-R389 WeakPolarHBondContact O-CB 3.32Å; F386-R389 PolarHBondContact O-N 3.08Å; S387-R389 PolarHBondContact O-N 2.73Å
390I94.3Very high91.6Very high2 Ų252.8 Ų52.81%0.0130%0.3CS..SBendtrans-91.7145.2171.9-66.7164.5000108.4L297 S387 T394 R395 A408L297-I390 HydrophobicContact CD1-CG1 4.39Å; L297-I390 HydrophobicContact CD2-CG1 3.94Å; S387-I390 WeakPolarHBondContact O-CB 3.35Å; S387-I390 PolarHBondContact O-N 3.46Å; I390-T394 WeakPolarHBondContact CG2-OG1 3.31Å; I390-R395 HydrophobicContact CB-CG 4.29Å; I390-R395 HydrophobicContact CG2-CG 4.06Å; I390-R395 PolarHBondContact O-NE 3.37Å; I390-R395 PolarHBondContact O-NH2 3.11Å; I390-A408 HydrophobicContact CD1-CB 4.29Å
391A92Very high91Very high7 Ų753.4 Ų53.46%0.05830%0.301CS..  trans-56.8134178.900000111.9F3 T16 H393 T394 R395F3-A391 HydrophobicContact CB-CB 4.23Å; F3-A391 HydrophobicContact CD2-CB 4.33Å; F3-A391 HydrophobicContact CG-CB 4.28Å; T16-A391 HydrophobicContact CG2-CB 3.81Å; T16-A391 WeakPolarHBondContact OG1-CB 3.2Å; A391-H393 VanDerWaalsContact C-N 3.27Å; A391-H393 PolarHBondContact O-N 3.19Å; A391-H393 VanDerWaalsContact O-N 3.09Å; A391-T394 HydrophobicContact CB-CG2 4.39Å; A391-T394 PolarHBondContact O-N 2.94Å; A391-T394 PolarHBondContact O-OG1 2.86Å; A391-R395 WeakPolarHBondContact O-CG 3.2Å; A391-R395 PolarHBondContact O-N 3.5Å
392P91.1Very high90.5Very high59 Ų5957.4 Ų57.438%0.38331%0.312SS..G310 helixtrans-53.7-37.3-173-29.434.7000115.5T394 R395P392-T394 VanDerWaalsContact C-N 3.33Å; P392-R395 PolarHBondContact O-N 2.93Å
393H88Confident90.1Very high65 Ų6559.9 Ų59.930%0.30134%0.338SS..G310 helixtrans-75.7-19.5-178.868.1-89.3000113.6T16 V64 S70 A391T16-H393 VanDerWaalsContact CG2-CE1 3.41Å; T16-H393 WeakPolarHBondContact CG2-CE1 3.48Å; T16-H393 PolarHBondContact OG1-CE1 2.97Å; V64-H393 HydrophobicContact CG1-CB 3.87Å; S70-H393 PolarHBondContact OG-NE2 3.05Å; A391-H393 VanDerWaalsContact C-N 3.27Å; A391-H393 PolarHBondContact O-N 3.19Å; A391-H393 VanDerWaalsContact O-N 3.09Å
394T89.7Confident89.8Confident44 Ų4460.3 Ų60.327%0.2734%0.34SS..G310 helixtrans-94.5-317663.60000112.7I390 A391 P392 S406I390-T394 WeakPolarHBondContact CG2-OG1 3.31Å; A391-T394 HydrophobicContact CB-CG2 4.39Å; A391-T394 PolarHBondContact O-N 2.94Å; A391-T394 PolarHBondContact O-OG1 2.86Å; P392-T394 VanDerWaalsContact C-N 3.33Å; T394-S406 VanDerWaalsContact O-CB 3.26Å; T394-S406 WeakPolarHBondContact O-CB 3.44Å
395R92.2Very high89.8Confident61 Ų6161.7 Ų61.723%0.2334%0.341CS..SBendtrans-75.1-32176.3-66.4176.7-160.7168.12.1113S387 S388 I390 A391 P392 M405 S406S387-R395 PolarHBondContact O-NE 2.99Å; S388-R395 PolarHBondContact O-NH2 3.25Å; I390-R395 HydrophobicContact CB-CG 4.29Å; I390-R395 HydrophobicContact CG2-CG 4.06Å; I390-R395 PolarHBondContact O-NE 3.37Å; I390-R395 PolarHBondContact O-NH2 3.11Å; A391-R395 WeakPolarHBondContact O-CG 3.2Å; A391-R395 PolarHBondContact O-N 3.5Å; P392-R395 PolarHBondContact O-N 2.93Å; R395-M405 HydrophobicContact CB-CG 4.32Å; R395-M405 CarbonylContact O-C 3.54Å; R395-M405 VanDerWaalsContact O-CA 3.28Å; R395-M405 WeakPolarHBondContact O-CA 3.42Å; R395-S406 PolarHBondContact O-N 3.32Å
396K90Very high89.9Confident175 Ų17557.8 Ų57.876%0.76132%0.323SS*.BIsolated β-bridgetrans-90.5127.9178.1-67.6-174.3179.8-177.70108.6
397L88.1Confident89.9Confident33 Ų3357.2 Ų57.217%0.17332%0.321CS..  trans-97.2150.8178.8-57.3177.9000110.7F339 M401 M402 F404F339-L397 HydrophobicContact CB-CD1 3.82Å; F339-L397 HydrophobicContact CD1-CD1 3.44Å; F339-L397 VanDerWaalsContact CD1-CD1 3.44Å; F339-L397 HydrophobicContact CD2-CD1 4.19Å; F339-L397 HydrophobicContact CE1-CD1 3.93Å; F339-L397 HydrophobicContact CE1-CD2 4.29Å; F339-L397 HydrophobicContact CG-CD1 3.56Å; L397-M401 HydrophobicContact CB-CB 3.5Å; L397-M401 HydrophobicContact CD1-CB 3.85Å; L397-M401 HydrophobicContact CD1-CG 4.31Å; L397-M401 HydrophobicContact CG-CB 4.32Å; L397-M402 WeakPolarHBondContact O-CA 3.45Å; L397-F404 HydrophobicContact CD1-CB 3.88Å; L397-F404 PolarHBondContact N-O 3.08Å
398D85.5Confident89.9Confident131 Ų13157 Ų5770%0.70132%0.32SS*.  trans-113172-177.4-63.9-42.6000111.8M401D398-M401 PolarHBondContact O-N 3.16Å
399G83.9Confident89.9Confident49 Ų4954.3 Ų54.351%0.50530%0.3SS..G310 helixtrans64.1-129.3176.100000112.7M401 M402G399-M401 PolarHBondContact O-N 3.21Å; G399-M401 VanDerWaalsContact O-N 3.16Å; G399-M402 VanDerWaalsContact O-CB 3.28Å; G399-M402 WeakPolarHBondContact O-CB 3.49Å; G399-M402 PolarHBondContact O-N 3.21Å; G399-M402 VanDerWaalsContact O-N 3.11Å
400P78.8Confident89.7Confident124 Ų12451.5 Ų51.581%0.80529%0.292SS*.G310 helixtrans-66.9-14.8-177.429.7-35.3000113.4
401M84.3Confident89.4Confident30 Ų3052 Ų5215%0.14830%0.295CS..G310 helixtrans-97.46.7178.3-61.1-67.4-178.100112.7W289 F339 L397 D398 G399 G403 F404W289-M401 HydrophobicContact CD2-CE 3.51Å; W289-M401 HydrophobicContact CD2-SD 3.95Å; W289-M401 HydrophobicContact CE3-CE 3.23Å; W289-M401 HydrophobicContact CE3-SD 3.24Å; W289-M401 HydrophobicContact CG-CE 4.46Å; W289-M401 HydrophobicContact CH2-CE 3.12Å; W289-M401 HydrophobicContact CH2-SD 4.06Å; W289-M401 HydrophobicContact CZ2-CE 3.4Å; W289-M401 HydrophobicContact CZ3-CE 3.03Å; W289-M401 HydrophobicContact CZ3-SD 3.31Å; W289-M401 WeakPolarHBondContact CZ3-SD 3.37Å; F339-M401 HydrophobicContact CD2-CE 4.39Å; F339-M401 HydrophobicContact CD2-SD 4.43Å; L397-M401 HydrophobicContact CB-CB 3.5Å; L397-M401 HydrophobicContact CD1-CB 3.85Å; L397-M401 HydrophobicContact CD1-CG 4.31Å; L397-M401 HydrophobicContact CG-CB 4.32Å; D398-M401 PolarHBondContact O-N 3.16Å; G399-M401 PolarHBondContact O-N 3.21Å; G399-M401 VanDerWaalsContact O-N 3.16Å; M401-G403 PolarHBondContact O-N 3.35Å; M401-F404 WeakPolarHBondContact O-CB 3.38Å; M401-F404 PolarHBondContact O-N 3.32Å
402M84.6Confident88.6Confident139 Ų13952.2 Ų52.269%0.68530%0.295SS*.THydrogen-bonded Turntrans-55.2125.7-179.3-173.4-179.7-64.200110.6L397 G399L397-M402 WeakPolarHBondContact O-CA 3.45Å; G399-M402 VanDerWaalsContact O-CB 3.28Å; G399-M402 WeakPolarHBondContact O-CB 3.49Å; G399-M402 PolarHBondContact O-N 3.21Å; G399-M402 VanDerWaalsContact O-N 3.11Å
403G85.6Confident87.3Confident52 Ų5252.7 Ų52.754%0.53629%0.292SS..THydrogen-bonded Turntrans100.6-18-175.600000114.4M401M401-G403 PolarHBondContact O-N 3.35Å
404F92.1Very high85.4Confident9 Ų950.4 Ų50.44%0.03928%0.282CS..  trans-81.1146.7171.1-73-102.1000111.4L287 F339 Y340 Q341 L356 W360 L397 M401L287-F404 HydrophobicContact CB-CE1 3.91Å; L287-F404 HydrophobicContact CB-CZ 3.99Å; L287-F404 HydrophobicContact CD1-CZ 4.24Å; F339-F404 HydrophobicContact CB-CB 4.32Å; F339-F404 HydrophobicContact CB-CD1 4.19Å; Y340-F404 WeakPolarHBondContact O-CA 3.36Å; Q341-F404 HydrophobicContact CB-CD1 4.07Å; Q341-F404 HydrophobicContact CB-CE1 4.11Å; Q341-F404 HydrophobicContact CB-CG 4.32Å; Q341-F404 HydrophobicContact CB-CZ 4.41Å; L356-F404 HydrophobicContact CD2-CE2 3.92Å; L356-F404 HydrophobicContact CD2-CZ 4.31Å; W360-F404 HydrophobicContact CH2-CE1 4.04Å; W360-F404 AromaticContact CH2-CZ 3.74Å; W360-F404 HydrophobicContact CH2-CZ 3.74Å; W360-F404 HydrophobicContact CZ2-CE1 4.31Å; W360-F404 HydrophobicContact CZ2-CE2 4.37Å; W360-F404 AromaticContact CZ2-CZ 3.57Å; W360-F404 HydrophobicContact CZ2-CZ 3.57Å; L397-F404 HydrophobicContact CD1-CB 3.88Å; L397-F404 PolarHBondContact N-O 3.08Å; M401-F404 WeakPolarHBondContact O-CB 3.38Å; M401-F404 PolarHBondContact O-N 3.32Å
405M94.2Very high83.2Confident81 Ų8151.6 Ų51.640%0.39929%0.29SS..EExtended strand (participates in β ladder)trans-98.5135168.9-169.2172.9-57.300110.3F339 Y340 R395 G407F339-M405 VanDerWaalsContact CA-O 3.32Å; F339-M405 WeakPolarHBondContact CA-O 3.42Å; Y340-M405 HydrophobicContact CD1-CB 4.31Å; Y340-M405 WeakPolarHBondContact CD1-O 3.16Å; Y340-M405 HydrophobicContact CE1-CB 3.91Å; Y340-M405 HydrophobicContact CE1-CG 4.06Å; Y340-M405 HydrophobicContact CE1-SD 4.3Å; Y340-M405 HydrophobicContact CE2-CB 4.29Å; Y340-M405 HydrophobicContact CE2-SD 4.42Å; Y340-M405 PolarHBondContact N-O 3.39Å; Y340-M405 PolarHBondContact O-N 3.46Å; Y340-M405 PolarHBondContact OH-SD 3.36Å; R395-M405 HydrophobicContact CB-CG 4.32Å; R395-M405 CarbonylContact O-C 3.54Å; R395-M405 VanDerWaalsContact O-CA 3.28Å; R395-M405 WeakPolarHBondContact O-CA 3.42Å; M405-G407 PolarHBondContact O-N 3.24Å
406S95.1Very high80.7Confident2 Ų256.5 Ų56.51%0.01432%0.321CS..EExtended strand (participates in β ladder)trans-77.2113.9168.2-1640000110.7R337 T394 R395R337-S406 WeakPolarHBondContact CD-OG 3.36Å; R337-S406 PolarHBondContact NH1-OG 3.1Å; T394-S406 VanDerWaalsContact O-CB 3.26Å; T394-S406 WeakPolarHBondContact O-CB 3.44Å; R395-S406 PolarHBondContact O-N 3.32Å
407G96.2Very high78.2Confident0 Ų053.2 Ų53.20%031%0.312CS..EExtended strand (participates in β ladder)trans-126.7-172.6177.900000112.4R337 V338 S387 M405R337-G407 VanDerWaalsContact CD-O 3.26Å; R337-G407 WeakPolarHBondContact CD-O 3.28Å; V338-G407 PolarHBondContact N-O 3.22Å; V338-G407 CarbonylContact O-C 3.47Å; V338-G407 WeakPolarHBondContact O-CA 3.25Å; V338-G407 PolarHBondContact O-N 2.8Å; V338-G407 VanDerWaalsContact O-O 3.08Å; S387-G407 WeakPolarHBondContact OG-CA 3.41Å; M405-G407 PolarHBondContact O-N 3.24Å
408A95.1Very high75.6Confident0 Ų059.6 Ų59.60%035%0.345CS..EExtended strand (participates in β ladder)trans-150.5162.2174.500000111L297 C335 R336 F386 I390L297-A408 HydrophobicContact CD1-CB 4.12Å; C335-A408 HydrophobicContact CB-CB 3.88Å; R336-A408 CarbonylContact O-C 3.55Å; R336-A408 WeakPolarHBondContact O-CA 3.5Å; R336-A408 WeakPolarHBondContact O-CB 3.21Å; F386-A408 HydrophobicContact CB-CB 4.18Å; F386-A408 WeakPolarHBondContact CB-O 3.26Å; I390-A408 HydrophobicContact CD1-CB 4.29Å
409V93.7Very high73Confident0 Ų061 Ų610%038%0.376CS..EExtended strand (participates in β ladder)trans-128.6150.3169.7-640000108.6V261 C335 R336 V338 F379 L383V261-V409 HydrophobicContact CB-CG2 3.8Å; V261-V409 HydrophobicContact CG1-CG2 3.77Å; V261-V409 HydrophobicContact CG2-CB 4.49Å; V261-V409 HydrophobicContact CG2-CG1 4.13Å; V261-V409 HydrophobicContact CG2-CG2 3.87Å; C335-V409 CarbonylContact C-O 3.54Å; C335-V409 WeakPolarHBondContact CA-O 3.5Å; C335-V409 WeakPolarHBondContact CB-O 3.29Å; R336-V409 HydrophobicContact CB-CG2 3.99Å; R336-V409 PolarHBondContact N-O 2.88Å; R336-V409 PolarHBondContact O-N 2.89Å; V338-V409 HydrophobicContact CG2-CG1 3.98Å; V338-V409 HydrophobicContact CG2-CG2 3.95Å; F379-V409 HydrophobicContact CE2-CG1 3.81Å; F379-V409 HydrophobicContact CZ-CG1 4.32Å; L383-V409 HydrophobicContact CD2-CG1 3.72Å
410P90.2Very high72.5Confident18 Ų1861.7 Ų61.712%0.11737%0.369CS..EExtended strand (participates in β ladder)trans-64.4144.1-179.925.9-30.2000110.7M254 G258 F386M254-P410 HydrophobicContact CB-CG 4.06Å; G258-P410 WeakPolarHBondContact CA-O 3.41Å; F386-P410 HydrophobicContact CE1-CB 4.4Å; F386-P410 HydrophobicContact CE2-CB 4.5Å; F386-P410 HydrophobicContact CE2-CG 3.98Å; F386-P410 HydrophobicContact CZ-CB 3.94Å; F386-P410 HydrophobicContact CZ-CG 3.89Å
411L87.3Confident72.2Confident13 Ų1358.4 Ų58.47%0.06835%0.346CS..  trans-73.5140.1171.2-88.1165.9000110.2K294 A334 C335 R336K294-L411 HydrophobicContact CB-CD1 4.3Å; K294-L411 HydrophobicContact CD-CD1 4.35Å; K294-L411 HydrophobicContact CD-CD2 4.41Å; K294-L411 HydrophobicContact CG-CD1 4.21Å; K294-L411 HydrophobicContact CG-CD2 4.31Å; A334-L411 HydrophobicContact CB-CB 4.12Å; A334-L411 HydrophobicContact CB-CD1 3.9Å; A334-L411 PolarHBondContact O-N 3.04Å; C335-L411 WeakPolarHBondContact O-CD1 3.38Å; R336-L411 HydrophobicContact CG-CD2 3.34Å; R336-L411 HydrophobicContact CG-CG 3.84Å; R336-L411 VanDerWaalsContact NE-CD2 3.32Å
412I74.6Confident71.5Confident12 Ų1259.9 Ų59.96%0.06236%0.357CS..  trans-117.7128.9168.7-58179.9000107.5I85 L88 E255 G258 L259I85-I412 HydrophobicContact CD1-CG2 4.1Å; I85-I412 HydrophobicContact CG1-CG2 4.28Å; L88-I412 HydrophobicContact CD1-CG2 4.36Å; E255-I412 VanDerWaalsContact C-CD1 3.45Å; E255-I412 VanDerWaalsContact CA-CD1 3.41Å; E255-I412 HydrophobicContact CB-CD1 3.98Å; E255-I412 WeakPolarHBondContact O-CD1 3.45Å; G258-I412 VanDerWaalsContact C-CD1 3.48Å; L259-I412 HydrophobicContact CB-CD1 3.83Å
413H63.3Low70.7Confident69 Ų6955.3 Ų55.332%0.31934%0.338SS..  trans-101.492177.5-72-64.2000109.2N82 I85N82-H413 PolarHBondContact O-CD2 2.82Å; I85-H413 VanDerWaalsContact CD1-C 3.43Å; I85-H413 WeakPolarHBondContact CD1-O 3.39Å; I85-H413 WeakPolarHBondContact CG1-O 3.14Å
414L49.8Very low69.8Low16 Ų1655.5 Ų55.58%0.08433%0.326CS..  trans-45.2137.3166.7-68.5178.7000110.1I85 L88 F122 Q123 L259 N416I85-L414 HydrophobicContact CD1-CB 4.31Å; I85-L414 HydrophobicContact CD1-CD2 3.72Å; I85-L414 HydrophobicContact CD1-CG 4.39Å; L88-L414 HydrophobicContact CD1-CD2 4.3Å; F122-L414 HydrophobicContact CB-CD1 3.94Å; F122-L414 HydrophobicContact CB-CD2 3.39Å; F122-L414 HydrophobicContact CB-CG 4.34Å; F122-L414 HydrophobicContact CD2-CD2 3.78Å; F122-L414 HydrophobicContact CG-CD2 3.69Å; Q123-L414 HydrophobicContact CG-CD1 4.27Å; L259-L414 HydrophobicContact CD1-CD1 4.25Å; L259-L414 HydrophobicContact CD1-CD2 4.02Å; L259-L414 HydrophobicContact CD1-CG 4.42Å; L414-N416 PolarHBondContact O-N 3.04Å
415P42.3Very low68.3Low70 Ų7058.6 Ų58.646%0.45535%0.345SS..  trans-58.3134.2169.5-8.428.1000105.2I85 D417I85-P415 HydrophobicContact CB-CG 4.24Å; I85-P415 VanDerWaalsContact CD1-CD 3.45Å; I85-P415 HydrophobicContact CD1-CG 4.24Å; I85-P415 HydrophobicContact CG2-CG 3.94Å; P415-D417 PolarHBondContact O-N 3.26Å
416N40.7Very low66.5Low164 Ų16457 Ų5788%0.87734%0.341SS*.SBendtrans-6396.4167.1-76.3-16.4000106L414L414-N416 PolarHBondContact O-N 3.04Å
417D36.5Very low64.3Low106 Ų10661.2 Ų61.257%0.56737%0.366SS*.  trans44.8125.4173.9-57.2-35.7000117.1Q123 P415 A419Q123-D417 PolarHBondContact NE2-OD1 3.36Å; P415-D417 PolarHBondContact O-N 3.26Å; D417-A419 PolarHBondContact O-N 2.96Å
418L33.7Very low61.6Low166 Ų16666.3 Ų66.387%0.86940%0.396SS*.  trans-54.889.3136.2-80.3152.2000106
419A32Very low58.5Low162 Ų16272.4 Ų72.4100%1.33943%0.432SS*.  trans-59.2016600000110.5D417D417-A419 PolarHBondContact O-N 2.96Å

Retrieved 419 of 419 residues in 191.2 ms (Link to these results)

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