A0A3Q0KCM5_SCHMA Loading...

Beta'-coat protein

AlphaFold DB , UniProt , Accession A0A3Q0KCM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,023 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.7Very low73.1Confident109 Ų10972.1 Ų72.154%0.53734%0.339SS..  0161.90-85.5-166-99.400109.3R262 L397M1-R262 PolarHBondContact O-NH2 3.34Å; M1-L397 HydrophobicContact CE-CD2 3.81Å; M1-L397 HydrophobicContact SD-CD2 4.31Å
2P53.8Low74.9Confident83 Ų8371.4 Ų71.454%0.53934%0.339SS..  trans-58.8143.7169.524.1-31.7000110.3K4 E264P2-K4 PolarHBondContact O-N 2.9Å; P2-E264 WeakPolarHBondContact CA-OE2 3.41Å; P2-E264 WeakPolarHBondContact CB-OE2 3.37Å
3M62.7Low76.5Confident14 Ų1466.9 Ų66.97%0.06932%0.32CS..  trans-64.1116.9178.3-168.6-173.1-176.700108.1L5 P242 I243 E264 Y359 D377M3-L5 HydrophobicContact CE-CD2 3.95Å; M3-L5 HydrophobicContact CG-CD2 4.4Å; M3-L5 HydrophobicContact CG-CG 4.48Å; M3-L5 PolarHBondContact O-N 3.39Å; M3-L5 HydrophobicContact SD-CD2 3.88Å; M3-L5 HydrophobicContact SD-CG 4.36Å; M3-P242 HydrophobicContact CE-CG 4.08Å; M3-P242 HydrophobicContact SD-CG 4.22Å; M3-I243 HydrophobicContact SD-CG2 3.9Å; M3-E264 HydrophobicContact CB-CG 4.45Å; M3-E264 PolarHBondContact N-OE2 2.83Å; M3-Y359 HydrophobicContact CE-CD1 3.94Å; M3-Y359 HydrophobicContact CE-CD2 4.4Å; M3-Y359 HydrophobicContact CE-CE1 4.49Å; M3-Y359 HydrophobicContact CE-CG 3.9Å; M3-D377 WeakPolarHBondContact CG-OD1 3.32Å
4K63.3Low77.9Confident150 Ų15073.9 Ų73.965%0.65234%0.341SS*.  trans-78.190.9176.7-82.4-172.3177.2-179.10109.4P2P2-K4 PolarHBondContact O-N 2.9Å
5L69.7Low79.1Confident27 Ų2770.9 Ų70.914%0.14133%0.332CS..  trans-78.3121.8168.2-64.1170.3000109.1M3 I7 L241 I243 F255M3-L5 HydrophobicContact CE-CD2 3.95Å; M3-L5 HydrophobicContact CG-CD2 4.4Å; M3-L5 HydrophobicContact CG-CG 4.48Å; M3-L5 PolarHBondContact O-N 3.39Å; M3-L5 HydrophobicContact SD-CD2 3.88Å; M3-L5 HydrophobicContact SD-CG 4.36Å; L5-I7 HydrophobicContact CB-CD1 4.2Å; L5-I7 HydrophobicContact CB-CG1 3.81Å; L5-I7 PolarHBondContact O-N 2.95Å; L5-I7 VanDerWaalsContact O-N 3.11Å; L5-L241 HydrophobicContact CD2-CD1 4.14Å; L5-I243 HydrophobicContact CD1-CD1 4.21Å; L5-I243 HydrophobicContact CD1-CG2 4.39Å; L5-F255 HydrophobicContact CD1-CB 4.37Å; L5-F255 HydrophobicContact CD1-CD1 3.56Å; L5-F255 HydrophobicContact CD1-CE1 4.22Å; L5-F255 HydrophobicContact CD1-CG 4.22Å
6D71.1Confident80.2Confident55 Ų5572.3 Ų72.329%0.29434%0.342SS..  trans-77.790.5167.7-173.514000107.9K8 G300D6-K8 WeakPolarHBondContact OD1-CE 3.45Å; D6-K8 WeakPolarHBondContact OD2-CE 3.4Å; D6-K8 IonicContact OD2-NZ 3.21Å; D6-K8 PolarHBondContact OD2-NZ 3.18Å; D6-G300 PolarHBondContact O-N 3.2Å
7I82Confident81.3Confident43 Ų4372.2 Ų72.222%0.22134%0.338CS..EExtended strand (participates in β ladder)trans-90.3110.5-177.7-55.4171000108.7L5 F255 L267 I297 S298 L299L5-I7 HydrophobicContact CB-CD1 4.2Å; L5-I7 HydrophobicContact CB-CG1 3.81Å; L5-I7 PolarHBondContact O-N 2.95Å; L5-I7 VanDerWaalsContact O-N 3.11Å; I7-F255 HydrophobicContact CD1-CE1 4.32Å; I7-F255 HydrophobicContact CD1-CE2 4.31Å; I7-F255 HydrophobicContact CD1-CZ 4.12Å; I7-L267 HydrophobicContact CD1-CD1 4.26Å; I7-L267 HydrophobicContact CD1-CD2 4.13Å; I7-L267 HydrophobicContact CD1-CG 4.41Å; I7-L267 HydrophobicContact CG2-CD1 3.98Å; I7-L267 HydrophobicContact CG2-CD2 4.44Å; I7-I297 HydrophobicContact CG2-CB 4.22Å; I7-I297 HydrophobicContact CG2-CD1 4.18Å; I7-I297 HydrophobicContact CG2-CG2 4.47Å; I7-S298 WeakPolarHBondContact CA-O 3.48Å; I7-L299 HydrophobicContact CB-CD2 4.49Å; I7-L299 HydrophobicContact CG1-CD2 3.86Å; I7-L299 HydrophobicContact CG2-CD2 4.24Å
8K83.3Confident82.3Confident98 Ų9868.2 Ų68.243%0.42632%0.319SS..EExtended strand (participates in β ladder)trans-114128.1177.1-69.3179.3-177.7156.60110.6D6 K10 I297 S298D6-K8 WeakPolarHBondContact OD1-CE 3.45Å; D6-K8 WeakPolarHBondContact OD2-CE 3.4Å; D6-K8 IonicContact OD2-NZ 3.21Å; D6-K8 PolarHBondContact OD2-NZ 3.18Å; K8-K10 PolarHBondContact O-N 2.84Å; K8-I297 CarbonylContact O-C 3.52Å; K8-I297 VanDerWaalsContact O-CA 3.31Å; K8-I297 WeakPolarHBondContact O-CA 3.31Å; K8-S298 PolarHBondContact N-O 2.65Å; K8-S298 PolarHBondContact O-N 2.94Å
9R89.1Confident83.1Confident145 Ų14566.1 Ų66.155%0.54731%0.309SS..EExtended strand (participates in β ladder)trans-74.2116.9172.7-169.8179.974.4-170.3-1.9109.3Y269 V295R9-Y269 HydrophobicContact CG-CE1 4.46Å; R9-V295 HydrophobicContact CG-CG1 4.28Å
10K89.1Confident83.8Confident66 Ų6663.3 Ų63.329%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-96.3-35.2179.6-65.1-75.7-172.6165.40112K8 I44 Q47 A296 S298 D302K8-K10 PolarHBondContact O-N 2.84Å; K10-I44 HydrophobicContact CB-CG2 3.62Å; K10-Q47 VanDerWaalsContact O-CG 3.3Å; K10-Q47 WeakPolarHBondContact O-CG 2.81Å; K10-Q47 PolarHBondContact O-NE2 2.97Å; K10-A296 PolarHBondContact N-O 2.99Å; K10-S298 WeakPolarHBondContact CE-OG 3.48Å; K10-D302 IonicContact NZ-OD2 3.72Å
11L93.7Very high84.5Confident3 Ų360.3 Ų60.32%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-137.9140.5176178.870.2000109.9I30 W42 I44 Q47 V295 A296L11-I30 HydrophobicContact CD2-CG2 3.73Å; L11-W42 HydrophobicContact CD1-CE3 4.18Å; L11-W42 HydrophobicContact CD2-CB 3.75Å; L11-W42 HydrophobicContact CD2-CG 4.09Å; L11-I44 HydrophobicContact CB-CG2 4.31Å; L11-Q47 HydrophobicContact CD1-CB 4.24Å; L11-Q47 HydrophobicContact CD1-CG 4.44Å; L11-V295 WeakPolarHBondContact O-CA 3.36Å; L11-V295 WeakPolarHBondContact O-CG1 3.45Å; L11-A296 HydrophobicContact CB-CB 3.81Å; L11-A296 PolarHBondContact N-O 2.93Å; L11-A296 PolarHBondContact O-N 3.2Å
12L94.9Very high86.9Confident64 Ų6456.2 Ų56.234%0.33526%0.263SS..EExtended strand (participates in β ladder)trans-140.7117.3161.2-178.4155.1000107.1V295L12-V295 HydrophobicContact CB-CG2 4.48Å; L12-V295 HydrophobicContact CD1-CG2 4.38Å; L12-V295 HydrophobicContact CG-CG2 4.18Å
13S95.8Very high89Confident13 Ų1352.6 Ų52.69%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-129.4130.2176.6-1770000109.5W42 G293 T294S13-W42 WeakPolarHBondContact OG-CH2 3.41Å; S13-W42 WeakPolarHBondContact OG-CZ2 3.46Å; S13-G293 CarbonylContact O-C 3.54Å; S13-G293 WeakPolarHBondContact O-CA 3.44Å; S13-T294 PolarHBondContact N-O 3.04Å; S13-T294 PolarHBondContact O-N 3.29Å
14R95.9Very high90.5Very high165 Ų16552 Ų5262%0.62324%0.236SC*.  trans-85.8134.6175.2-73.6-177.4171.3-112.2-8.7109.4L271 E292R14-L271 HydrophobicContact CG-CD2 4.47Å; R14-E292 WeakPolarHBondContact CA-O 3.5Å; R14-E292 IonicContact CZ-OE2 2.78Å; R14-E292 IonicContact NH1-OE2 3.86Å; R14-E292 PolarHBondContact NH1-OE2 3.36Å; R14-E292 IonicContact NH2-OE2 3.28Å
15S96Very high91.7Very high29 Ų2947.4 Ų47.420%0.20322%0.223CC..  trans-154.3-178.3174.6670000109E292 G293S15-E292 CarbonylContact O-C 3.56Å; S15-G293 PolarHBondContact O-N 2.89Å; S15-G293 WeakPolarHBondContact OG-CA 3.38Å
16D96.9Very high92.4Very high92 Ų9250.8 Ų50.849%0.49225%0.245SC..SBendtrans-59.8166.3164.5-67.6-31.9000111.3V18 L34 N36D16-V18 WeakPolarHBondContact O-CG2 2.98Å; D16-V18 PolarHBondContact O-N 3.31Å; D16-L34 HydrophobicContact CB-CD2 4.16Å; D16-N36 PolarHBondContact OD2-ND2 3.3Å
17R98.5Very high93.3Very high72 Ų7252 Ų5227%0.27225%0.249SC..PPolyproline II helixtrans-46.7122.8-178.3176.5-174.3-62.2160.18.1111.9K19 L34 Y35 D291R17-K19 HydrophobicContact CG-CD 3.76Å; R17-L34 CarbonylContact O-C 3.59Å; R17-L34 WeakPolarHBondContact O-CA 3.19Å; R17-Y35 WeakPolarHBondContact O-CB 3.3Å; R17-Y35 PolarHBondContact O-N 2.85Å; R17-D291 WeakPolarHBondContact CA-O 3.13Å; R17-D291 WeakPolarHBondContact CD-OD1 3.35Å; R17-D291 WeakPolarHBondContact CG-OD1 3.47Å; R17-D291 IonicContact CZ-OD1 3.52Å; R17-D291 PolarHBondContact N-O 2.81Å; R17-D291 VanDerWaalsContact N-O 3.11Å; R17-D291 IonicContact NE-OD1 3.34Å; R17-D291 PolarHBondContact NE-OD1 3.29Å; R17-D291 IonicContact NH2-OD1 3.9Å
18V98.4Very high93.7Very high0 Ų051.1 Ų51.10%025%0.246CC..EExtended strand (participates in β ladder)trans-95.1121.1179.5-177.30000109.1D16 S20 V21 A32 A33 W275 T276 Y290 G293 T294D16-V18 WeakPolarHBondContact O-CG2 2.98Å; D16-V18 PolarHBondContact O-N 3.31Å; V18-S20 WeakPolarHBondContact CG1-O 3.45Å; V18-V21 HydrophobicContact CG1-CG1 3.66Å; V18-A32 HydrophobicContact CG1-CB 3.81Å; V18-A32 HydrophobicContact CG2-CB 4.43Å; V18-A33 CarbonylContact C-O 3.57Å; V18-A33 WeakPolarHBondContact CA-O 3.45Å; V18-W275 WeakPolarHBondContact O-CB 3.44Å; V18-T276 HydrophobicContact CG1-CG2 4.45Å; V18-Y290 PolarHBondContact N-O 3.34Å; V18-G293 WeakPolarHBondContact CG2-O 3.43Å; V18-T294 WeakPolarHBondContact CG2-OG1 3.47Å
19K98.2Very high94.3Very high28 Ų2848 Ų4812%0.12223%0.232CC..EExtended strand (participates in β ladder)trans-98.9-28.3-177.6-59.1-53.8-59.1-179.70113.2R17 A33 Y35 W275 T276R17-K19 HydrophobicContact CG-CD 3.76Å; K19-A33 PolarHBondContact N-O 3.15Å; K19-Y35 HydrophobicContact CD-CD2 3.94Å; K19-Y35 HydrophobicContact CG-CD2 4.01Å; K19-W275 HydrophobicContact CD-CG 4.48Å; K19-T276 WeakPolarHBondContact O-CB 3.48Å
20S97.9Very high94.7Very high10 Ų1041.1 Ų41.17%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-138.3144.3176.2-153.20000111V18 A32 A33 R61 A63V18-S20 WeakPolarHBondContact CG1-O 3.45Å; S20-A32 CarbonylContact O-C 3.6Å; S20-A32 WeakPolarHBondContact O-CA 3.31Å; S20-A33 PolarHBondContact O-N 2.91Å; S20-R61 WeakPolarHBondContact CB-O 3.45Å; S20-A63 PolarHBondContact OG-N 3.1Å
21V98Very high95.1Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-129.8147.4167.4-67.10000110.3V18 I30 C31 A32 K64 T276 T278 T294V18-V21 HydrophobicContact CG1-CG1 3.66Å; V21-I30 HydrophobicContact CB-CD1 4.28Å; V21-I30 HydrophobicContact CB-CG1 4.47Å; V21-I30 HydrophobicContact CG1-CD1 4.44Å; V21-C31 VanDerWaalsContact CA-O 3.24Å; V21-C31 WeakPolarHBondContact CA-O 3.35Å; V21-A32 HydrophobicContact CG1-CB 4.36Å; V21-K64 PolarHBondContact O-NZ 3.44Å; V21-T276 HydrophobicContact CB-CG2 4.34Å; V21-T276 HydrophobicContact CG1-CG2 4.05Å; V21-T276 HydrophobicContact CG2-CG2 3.82Å; V21-T278 HydrophobicContact CB-CG2 4.18Å; V21-T278 HydrophobicContact CG2-CG2 3.66Å; V21-T294 HydrophobicContact CG1-CG2 4.26Å
22D97.8Very high95.3Very high23 Ų2337.9 Ų37.912%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-145.8144.5173.3-151.243.9000111.7I30 C31 K64 F65D22-I30 CarbonylContact O-C 3.51Å; D22-I30 WeakPolarHBondContact O-CA 3.37Å; D22-C31 WeakPolarHBondContact CB-SG 3.26Å; D22-C31 PolarHBondContact N-O 3.21Å; D22-C31 PolarHBondContact O-N 3.26Å; D22-K64 HydrophobicContact CB-CD 4.04Å; D22-K64 VanDerWaalsContact OD1-CD 3.28Å; D22-K64 WeakPolarHBondContact OD1-CD 3.42Å; D22-K64 IonicContact OD1-NZ 2.92Å; D22-K64 PolarHBondContact OD1-NZ 2.94Å; D22-K64 WeakPolarHBondContact OD2-CA 3.42Å; D22-K64 WeakPolarHBondContact OD2-CD 3.42Å; D22-F65 HydrophobicContact CB-CD2 4.26Å; D22-F65 PolarHBondContact OD2-N 3.07Å
23L96.2Very high95.4Very high7 Ų734.8 Ų34.84%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-96.9135.6177.9-70.6166.5000109.8I30 I44 T278 Q280 I285L23-I30 HydrophobicContact CD2-CB 4.02Å; L23-I30 HydrophobicContact CD2-CD1 4.33Å; L23-I30 HydrophobicContact CD2-CG1 4.21Å; L23-I44 HydrophobicContact CD2-CD1 3.6Å; L23-T278 HydrophobicContact CD1-CG2 4.09Å; L23-T278 HydrophobicContact CG-CG2 3.8Å; L23-Q280 HydrophobicContact CB-CB 4.34Å; L23-Q280 HydrophobicContact CD1-CB 4.28Å; L23-Q280 PolarHBondContact O-OE1 3.28Å; L23-I285 HydrophobicContact CD1-CB 4.37Å; L23-I285 HydrophobicContact CD1-CG2 4.26Å; L23-I285 WeakPolarHBondContact CD1-O 3.31Å; L23-I285 HydrophobicContact CD2-CG2 4.04Å
24H94.5Very high95.6Very high3 Ų334.2 Ų34.21%0.01417%0.171CC..  trans-71.4143.8172.6-171.1-88000110.3T26 E27 W29 F65 A67 Y86 Q280 K283H24-T26 PolarHBondContact CE1-OG1 3.37Å; H24-T26 PolarHBondContact ND1-N 3.06Å; H24-T26 PolarHBondContact ND1-OG1 3.27Å; H24-E27 HydrophobicContact CB-CB 4.28Å; H24-E27 WeakPolarHBondContact ND1-CB 3.3Å; H24-E27 PolarHBondContact ND1-N 3.37Å; H24-W29 HydrophobicContact CB-CB 3.89Å; H24-W29 PolarHBondContact N-O 2.93Å; H24-F65 HydrophobicContact CB-CD2 4.02Å; H24-F65 HydrophobicContact CB-CE2 3.91Å; H24-F65 HydrophobicContact CB-CG 4.43Å; H24-F65 HydrophobicContact CB-CZ 4.24Å; H24-F65 AromaticContact CD2-CD1 3.72Å; H24-F65 AromaticContact CD2-CE1 3.98Å; H24-F65 AromaticContact CD2-CG 3.92Å; H24-A67 WeakPolarHBondContact NE2-CB 3.41Å; H24-Y86 AromaticContact NE2-CZ 3.55Å; H24-Y86 PolarHBondContact NE2-OH 3.28Å; H24-Q280 PolarHBondContact O-OE1 3.18Å; H24-K283 WeakPolarHBondContact O-CE 3.24Å; H24-K283 PolarHBondContact O-NZ 3.47Å
25S88.1Confident95.7Very high53 Ų5331 Ų3137%0.37116%0.159SC..SBendtrans-70.6-38.8-171.566.10000115.8A67 Q280 K283S25-A67 WeakPolarHBondContact OG-CB 3.43Å; S25-Q280 VanDerWaalsContact CB-NE2 3.25Å; S25-K283 VanDerWaalsContact O-CE 3.28Å; S25-K283 WeakPolarHBondContact O-CE 3.44Å
26T84.9Confident95.7Very high98 Ų9832 Ų3260%0.60116%0.163SC*.SBendtrans-104.5-64.717955.90000110H24 K283H24-T26 PolarHBondContact CE1-OG1 3.37Å; H24-T26 PolarHBondContact ND1-N 3.06Å; H24-T26 PolarHBondContact ND1-OG1 3.27Å; T26-K283 PolarHBondContact O-NZ 3.41Å
27E90.4Very high95.7Very high80 Ų8027.7 Ų27.737%0.37414%0.139SC..SBendtrans-53.9147179.1-54.9-50.5129.800113.9H24 W29 K283H24-E27 HydrophobicContact CB-CB 4.28Å; H24-E27 WeakPolarHBondContact ND1-CB 3.3Å; H24-E27 PolarHBondContact ND1-N 3.37Å; E27-W29 HydrophobicContact CB-CB 4.32Å; E27-W29 HydrophobicContact CB-CD2 3.59Å; E27-W29 HydrophobicContact CB-CE3 4.13Å; E27-W29 HydrophobicContact CB-CG 3.68Å; E27-W29 HydrophobicContact CB-CZ2 4.36Å; E27-W29 HydrophobicContact CG-CD2 4.07Å; E27-W29 HydrophobicContact CG-CE3 4.27Å; E27-W29 HydrophobicContact CG-CH2 4.3Å; E27-W29 HydrophobicContact CG-CZ2 4.09Å; E27-W29 HydrophobicContact CG-CZ3 4.37Å; E27-W29 PolarHBondContact O-N 3.44Å; E27-K283 PolarHBondContact O-NZ 2.94Å
28P90.2Very high95.7Very high25 Ų2525.9 Ų25.916%0.16214%0.135CC..SBendtrans-75.745.9176.434-36.8000111.6I44 E45P28-I44 WeakPolarHBondContact O-CB 3.47Å; P28-I44 WeakPolarHBondContact O-CG1 3.28Å; P28-I44 PolarHBondContact O-N 3.08Å; P28-E45 HydrophobicContact CB-CB 4.43Å; P28-E45 HydrophobicContact CB-CG 3.85Å; P28-E45 HydrophobicContact CG-CG 4.47Å
29W95.3Very high95.7Very high33 Ų3325.9 Ų25.913%0.12514%0.135CC..EExtended strand (participates in β ladder)trans-108.2148.1-173-57.5-7.5000112.4H24 E27 I41 W42 I50 Y86H24-W29 HydrophobicContact CB-CB 3.89Å; H24-W29 PolarHBondContact N-O 2.93Å; E27-W29 HydrophobicContact CB-CB 4.32Å; E27-W29 HydrophobicContact CB-CD2 3.59Å; E27-W29 HydrophobicContact CB-CE3 4.13Å; E27-W29 HydrophobicContact CB-CG 3.68Å; E27-W29 HydrophobicContact CB-CZ2 4.36Å; E27-W29 HydrophobicContact CG-CD2 4.07Å; E27-W29 HydrophobicContact CG-CE3 4.27Å; E27-W29 HydrophobicContact CG-CH2 4.3Å; E27-W29 HydrophobicContact CG-CZ2 4.09Å; E27-W29 HydrophobicContact CG-CZ3 4.37Å; E27-W29 PolarHBondContact O-N 3.44Å; W29-I41 HydrophobicContact CB-CG2 4.13Å; W29-I41 HydrophobicContact CD2-CG2 4.24Å; W29-I41 HydrophobicContact CE3-CG2 4.01Å; W29-I41 HydrophobicContact CG-CG2 4.33Å; W29-W42 CarbonylContact C-O 3.52Å; W29-W42 WeakPolarHBondContact CA-O 3.28Å; W29-I50 HydrophobicContact CD2-CD1 3.69Å; W29-I50 VanDerWaalsContact CE2-CD1 3.41Å; W29-I50 HydrophobicContact CG-CD1 3.66Å; W29-I50 HydrophobicContact CZ2-CD1 4.08Å; W29-Y86 AromaticContact CZ3-CD2 3.81Å; W29-Y86 HydrophobicContact CZ3-CD2 3.81Å; W29-Y86 AromaticContact CZ3-CE2 3.95Å; W29-Y86 HydrophobicContact CZ3-CE2 3.95Å
30I97.4Very high95.7Very high0 Ų025.9 Ų25.90%014%0.136CC..EExtended strand (participates in β ladder)trans-124132.8167.4-174.2168.1000108.4L11 V21 D22 L23 I41 W42 I44 T294L11-I30 HydrophobicContact CD2-CG2 3.73Å; V21-I30 HydrophobicContact CB-CD1 4.28Å; V21-I30 HydrophobicContact CB-CG1 4.47Å; V21-I30 HydrophobicContact CG1-CD1 4.44Å; D22-I30 CarbonylContact O-C 3.51Å; D22-I30 WeakPolarHBondContact O-CA 3.37Å; L23-I30 HydrophobicContact CD2-CB 4.02Å; L23-I30 HydrophobicContact CD2-CD1 4.33Å; L23-I30 HydrophobicContact CD2-CG1 4.21Å; I30-I41 CarbonylContact O-C 3.5Å; I30-I41 WeakPolarHBondContact O-CA 3.38Å; I30-W42 HydrophobicContact CG2-CB 3.82Å; I30-W42 PolarHBondContact N-O 3.38Å; I30-W42 PolarHBondContact O-N 3.49Å; I30-I44 HydrophobicContact CB-CD1 3.94Å; I30-I44 HydrophobicContact CB-CG1 4.08Å; I30-I44 HydrophobicContact CG2-CD1 4.15Å; I30-I44 HydrophobicContact CG2-CG1 3.74Å; I30-T294 HydrophobicContact CD1-CG2 3.8Å; I30-T294 HydrophobicContact CG1-CG2 4.48Å
31C97.4Very high95.7Very high0 Ų025.4 Ų25.40%013%0.132CC..EExtended strand (participates in β ladder)trans-98147165.873.70000110.1V21 D22 V39 H40 I41 F65 I72V21-C31 VanDerWaalsContact CA-O 3.24Å; V21-C31 WeakPolarHBondContact CA-O 3.35Å; D22-C31 WeakPolarHBondContact CB-SG 3.26Å; D22-C31 PolarHBondContact N-O 3.21Å; D22-C31 PolarHBondContact O-N 3.26Å; C31-V39 HydrophobicContact CB-CG1 4.28Å; C31-H40 CarbonylContact C-O 3.56Å; C31-H40 WeakPolarHBondContact CA-O 3.27Å; C31-I41 HydrophobicContact CB-CG1 4.11Å; C31-F65 HydrophobicContact CB-CD2 4.41Å; C31-F65 HydrophobicContact CB-CE2 3.57Å; C31-F65 HydrophobicContact CB-CZ 3.68Å; C31-I72 HydrophobicContact CB-CD1 3.61Å
32A98.3Very high95.7Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-132.4120.2178.200000108.3V18 S20 V21 L34 V39 H40 T294V18-A32 HydrophobicContact CG1-CB 3.81Å; V18-A32 HydrophobicContact CG2-CB 4.43Å; S20-A32 CarbonylContact O-C 3.6Å; S20-A32 WeakPolarHBondContact O-CA 3.31Å; V21-A32 HydrophobicContact CG1-CB 4.36Å; A32-L34 WeakPolarHBondContact O-CD1 3.35Å; A32-V39 CarbonylContact O-C 3.43Å; A32-V39 VanDerWaalsContact O-CA 3.3Å; A32-V39 WeakPolarHBondContact O-CA 3.39Å; A32-H40 PolarHBondContact N-O 2.97Å; A32-H40 PolarHBondContact O-N 3.24Å; A32-T294 HydrophobicContact CB-CG2 4.37Å; A32-T294 VanDerWaalsContact CB-OG1 3.27Å; A32-T294 WeakPolarHBondContact CB-OG1 3.31Å
33A98.4Very high95.5Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-91.5128.4173.500000110.2V18 K19 S20 V39 V60 A63V18-A33 CarbonylContact C-O 3.57Å; V18-A33 WeakPolarHBondContact CA-O 3.45Å; K19-A33 PolarHBondContact N-O 3.15Å; S20-A33 PolarHBondContact O-N 2.91Å; A33-V39 HydrophobicContact CB-CG2 4.14Å; A33-V60 HydrophobicContact CB-CB 4.12Å; A33-V60 HydrophobicContact CB-CG1 3.74Å; A33-V60 WeakPolarHBondContact CB-O 3.32Å; A33-A63 HydrophobicContact CB-CB 3.78Å
34L98.4Very high95.3Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-106.3153.5-170-64.694.4000111.7D16 R17 A32 N36 G37 N38 H40 V60D16-L34 HydrophobicContact CB-CD2 4.16Å; R17-L34 CarbonylContact O-C 3.59Å; R17-L34 WeakPolarHBondContact O-CA 3.19Å; A32-L34 WeakPolarHBondContact O-CD1 3.35Å; L34-N36 WeakPolarHBondContact CB-OD1 3.38Å; L34-N36 PolarHBondContact O-N 3.4Å; L34-G37 PolarHBondContact O-N 2.99Å; L34-N38 WeakPolarHBondContact CB-O 3.42Å; L34-N38 HydrophobicContact CD1-CB 4.26Å; L34-N38 VanDerWaalsContact CD1-O 3.25Å; L34-N38 WeakPolarHBondContact CD1-O 3.22Å; L34-N38 PolarHBondContact N-O 2.94Å; L34-H40 HydrophobicContact CD1-CB 4.21Å; L34-H40 VanDerWaalsContact CD1-CD2 3.44Å; L34-H40 WeakPolarHBondContact CD1-CD2 3.13Å; L34-V60 PolarHBondContact O-N 2.82Å; L34-V60 VanDerWaalsContact O-N 3.14Å
35Y97.7Very high94.9Very high97 Ų9734.4 Ų34.438%0.3817%0.173SC..THydrogen-bonded Turntrans-67.6-17.7177.1-163.4-98.7000113.1R17 K19 G37 P59R17-Y35 WeakPolarHBondContact O-CB 3.3Å; R17-Y35 PolarHBondContact O-N 2.85Å; K19-Y35 HydrophobicContact CD-CD2 3.94Å; K19-Y35 HydrophobicContact CG-CD2 4.01Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-P59 HydrophobicContact CD1-CG 4.17Å; Y35-P59 HydrophobicContact CD2-CB 3.64Å; Y35-P59 HydrophobicContact CD2-CG 3.78Å; Y35-P59 HydrophobicContact CE1-CG 3.96Å; Y35-P59 HydrophobicContact CE2-CB 3.8Å; Y35-P59 HydrophobicContact CE2-CG 3.56Å; Y35-P59 HydrophobicContact CG-CB 4.14Å; Y35-P59 HydrophobicContact CG-CG 4.09Å; Y35-P59 VanDerWaalsContact O-CA 3.29Å; Y35-P59 WeakPolarHBondContact O-CA 3.49Å; Y35-P59 WeakPolarHBondContact O-CG 3.46Å
36N97.2Very high94.9Very high52 Ų5234.2 Ų34.228%0.27818%0.175SC..THydrogen-bonded Turntrans-84.9-0.8176.466.87.2000113.9D16 L34 N38D16-N36 PolarHBondContact OD2-ND2 3.3Å; L34-N36 WeakPolarHBondContact CB-OD1 3.38Å; L34-N36 PolarHBondContact O-N 3.4Å; N36-N38 WeakPolarHBondContact OD1-CB 3.34Å; N36-N38 PolarHBondContact OD1-N 3.41Å
37G97.5Very high95.2Very high0 Ų035.3 Ų35.30%017%0.173CC..SBendtrans96.42.917900000116.2L34 Y35 V55 C56 S58L34-G37 PolarHBondContact O-N 2.99Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; G37-V55 VanDerWaalsContact O-CB 3.3Å; G37-V55 WeakPolarHBondContact O-CB 3.47Å; G37-V55 PolarHBondContact O-N 3.05Å; G37-V55 VanDerWaalsContact O-N 3.11Å; G37-C56 CarbonylContact C-O 3.54Å; G37-C56 VanDerWaalsContact CA-O 3.28Å; G37-C56 WeakPolarHBondContact CA-O 3.41Å; G37-C56 PolarHBondContact O-N 2.65Å; G37-S58 WeakPolarHBondContact CA-O 3.47Å
38N98Very high95.3Very high35 Ų3537.6 Ų37.619%0.18718%0.184CC..EExtended strand (participates in β ladder)trans-96.5161.1176.9-65.6-32.2000112.8L34 N36 T52 I53 E54L34-N38 WeakPolarHBondContact CB-O 3.42Å; L34-N38 HydrophobicContact CD1-CB 4.26Å; L34-N38 VanDerWaalsContact CD1-O 3.25Å; L34-N38 WeakPolarHBondContact CD1-O 3.22Å; L34-N38 PolarHBondContact N-O 2.94Å; N36-N38 WeakPolarHBondContact OD1-CB 3.34Å; N36-N38 PolarHBondContact OD1-N 3.41Å; N38-T52 HydrophobicContact CB-CG2 4.48Å; N38-I53 CarbonylContact C-O 3.41Å; N38-I53 WeakPolarHBondContact CA-O 3.31Å; N38-E54 WeakPolarHBondContact OD1-CA 3.5Å
39V98.3Very high95.6Very high0 Ų039.8 Ų39.80%019%0.194CC..EExtended strand (participates in β ladder)trans-126.2122.2165.9178.40000109.5C31 A32 A33 T52 I53 V55 V60 A63 I72 T74C31-V39 HydrophobicContact CB-CG1 4.28Å; A32-V39 CarbonylContact O-C 3.43Å; A32-V39 VanDerWaalsContact O-CA 3.3Å; A32-V39 WeakPolarHBondContact O-CA 3.39Å; A33-V39 HydrophobicContact CB-CG2 4.14Å; V39-T52 WeakPolarHBondContact O-CA 3.42Å; V39-I53 HydrophobicContact CB-CB 4.37Å; V39-I53 PolarHBondContact N-O 3.25Å; V39-I53 PolarHBondContact O-N 3.05Å; V39-V55 HydrophobicContact CB-CG2 4.36Å; V39-V55 HydrophobicContact CG2-CG2 3.71Å; V39-V60 HydrophobicContact CG2-CG1 4.14Å; V39-A63 HydrophobicContact CG2-CB 4.44Å; V39-I72 HydrophobicContact CG1-CD1 3.63Å; V39-T74 HydrophobicContact CG2-CG2 3.91Å
40H97.8Very high95.5Very high28 Ų2841.1 Ų41.113%0.1320%0.203CC..EExtended strand (participates in β ladder)trans-99.7140.2175.5-69-36.7000111C31 A32 L34 L49 T52C31-H40 CarbonylContact C-O 3.56Å; C31-H40 WeakPolarHBondContact CA-O 3.27Å; A32-H40 PolarHBondContact N-O 2.97Å; A32-H40 PolarHBondContact O-N 3.24Å; L34-H40 HydrophobicContact CD1-CB 4.21Å; L34-H40 VanDerWaalsContact CD1-CD2 3.44Å; L34-H40 WeakPolarHBondContact CD1-CD2 3.13Å; H40-L49 HydrophobicContact CB-CD1 3.69Å; H40-T52 PolarHBondContact CE1-OG1 2.91Å; H40-T52 VanDerWaalsContact CE1-OG1 3.29Å; H40-T52 PolarHBondContact ND1-OG1 3.02Å
41I97.8Very high95.4Very high0 Ų043.1 Ų43.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116.6118.6172.2-57.3177.1000108.3W29 I30 C31 I50 K51 I53 F65W29-I41 HydrophobicContact CB-CG2 4.13Å; W29-I41 HydrophobicContact CD2-CG2 4.24Å; W29-I41 HydrophobicContact CE3-CG2 4.01Å; W29-I41 HydrophobicContact CG-CG2 4.33Å; I30-I41 CarbonylContact O-C 3.5Å; I30-I41 WeakPolarHBondContact O-CA 3.38Å; C31-I41 HydrophobicContact CB-CG1 4.11Å; I41-I50 HydrophobicContact CG2-CD1 4.23Å; I41-I50 WeakPolarHBondContact O-CB 3.45Å; I41-I50 PolarHBondContact O-N 2.93Å; I41-K51 HydrophobicContact CB-CB 4.31Å; I41-K51 HydrophobicContact CD1-CB 4.42Å; I41-K51 PolarHBondContact N-O 3.06Å; I41-K51 PolarHBondContact O-N 2.81Å; I41-I53 HydrophobicContact CD1-CD1 4.27Å; I41-F65 HydrophobicContact CD1-CE1 4.25Å; I41-F65 HydrophobicContact CD1-CZ 4.32Å; I41-F65 HydrophobicContact CG1-CZ 4.41Å; I41-F65 HydrophobicContact CG2-CZ 4.23Å
42W97.2Very high95.3Very high35 Ų3545.8 Ų45.813%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-109.9141.3-179.5-65.684.3000111.3L11 S13 W29 I30 Q48 L49L11-W42 HydrophobicContact CD1-CE3 4.18Å; L11-W42 HydrophobicContact CD2-CB 3.75Å; L11-W42 HydrophobicContact CD2-CG 4.09Å; S13-W42 WeakPolarHBondContact OG-CH2 3.41Å; S13-W42 WeakPolarHBondContact OG-CZ2 3.46Å; W29-W42 CarbonylContact C-O 3.52Å; W29-W42 WeakPolarHBondContact CA-O 3.28Å; I30-W42 HydrophobicContact CG2-CB 3.82Å; I30-W42 PolarHBondContact N-O 3.38Å; I30-W42 PolarHBondContact O-N 3.49Å; W42-Q48 CarbonylContact C-O 3.52Å; W42-Q48 WeakPolarHBondContact CA-O 3.41Å; W42-L49 HydrophobicContact CD2-CB 4.11Å; W42-L49 HydrophobicContact CD2-CD1 3.96Å; W42-L49 HydrophobicContact CE3-CB 3.86Å; W42-L49 HydrophobicContact CG-CD1 4.3Å; W42-L49 HydrophobicContact CH2-CB 3.63Å; W42-L49 HydrophobicContact CH2-CD1 4.39Å; W42-L49 HydrophobicContact CH2-CG 4.41Å; W42-L49 HydrophobicContact CZ2-CB 3.9Å; W42-L49 HydrophobicContact CZ2-CD1 3.75Å; W42-L49 HydrophobicContact CZ2-CD2 4.39Å; W42-L49 HydrophobicContact CZ2-CG 4.23Å; W42-L49 HydrophobicContact CZ3-CB 3.62Å; W42-L49 VanDerWaalsContact CZ3-N 3.29Å
43N95Very high95.3Very high32 Ų3246.1 Ų46.117%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-80.6118.4161-166.7-50.7000108.7E45 A46 Q47 Q48 I50N43-E45 PolarHBondContact OD1-N 2.67Å; N43-A46 HydrophobicContact CB-CB 4.02Å; N43-A46 PolarHBondContact OD1-N 3.44Å; N43-Q47 VanDerWaalsContact O-CA 3.27Å; N43-Q47 WeakPolarHBondContact O-CA 3.42Å; N43-Q47 PolarHBondContact O-N 3.45Å; N43-Q48 PolarHBondContact N-O 3.27Å; N43-Q48 PolarHBondContact O-N 2.93Å; N43-I50 HydrophobicContact CB-CD1 3.69Å; N43-I50 HydrophobicContact CB-CG1 3.92Å
44I92.1Very high95.2Very high3 Ų353.9 Ų53.92%0.01527%0.266CS..THydrogen-bonded Turntrans-72.2-37.6-176.6-57.9171.1000111.2K10 L11 L23 P28 I30 I285 A296K10-I44 HydrophobicContact CB-CG2 3.62Å; L11-I44 HydrophobicContact CB-CG2 4.31Å; L23-I44 HydrophobicContact CD2-CD1 3.6Å; P28-I44 WeakPolarHBondContact O-CB 3.47Å; P28-I44 WeakPolarHBondContact O-CG1 3.28Å; P28-I44 PolarHBondContact O-N 3.08Å; I30-I44 HydrophobicContact CB-CD1 3.94Å; I30-I44 HydrophobicContact CB-CG1 4.08Å; I30-I44 HydrophobicContact CG2-CD1 4.15Å; I30-I44 HydrophobicContact CG2-CG1 3.74Å; I44-I285 HydrophobicContact CD1-CD1 4.2Å; I44-I285 HydrophobicContact CD1-CG2 4.06Å; I44-I285 HydrophobicContact CG2-CD1 4.3Å; I44-A296 HydrophobicContact CD1-CB 4.22Å; I44-A296 HydrophobicContact CG1-CB 4.28Å; I44-A296 HydrophobicContact CG2-CB 3.81Å
45E85.4Confident95.1Very high151 Ų15154.5 Ų54.571%0.70627%0.269SS*.THydrogen-bonded Turntrans-76.4-45-177.4-70.6179.917700111.5P28 N43 Q47P28-E45 HydrophobicContact CB-CB 4.43Å; P28-E45 HydrophobicContact CB-CG 3.85Å; P28-E45 HydrophobicContact CG-CG 4.47Å; N43-E45 PolarHBondContact OD1-N 2.67Å; E45-Q47 VanDerWaalsContact C-N 3.28Å; E45-Q47 PolarHBondContact O-N 3.32Å
46A88.1Confident95Very high49 Ų4951.1 Ų51.141%0.40526%0.26SS..THydrogen-bonded Turntrans-78.4-11.5176.800000113.3N43 Q48N43-A46 HydrophobicContact CB-CB 4.02Å; N43-A46 PolarHBondContact OD1-N 3.44Å; A46-Q48 VanDerWaalsContact C-N 3.25Å; A46-Q48 HydrophobicContact CB-CB 4.39Å; A46-Q48 HydrophobicContact CB-CG 4.43Å; A46-Q48 WeakPolarHBondContact O-CG 3.41Å; A46-Q48 PolarHBondContact O-N 3.25Å
47Q90.8Very high95Very high122 Ų12255 Ų5557%0.5729%0.286SS*.THydrogen-bonded Turntrans54.138.4-174-59.7-177.40.200113.6K10 L11 N43 E45K10-Q47 VanDerWaalsContact O-CG 3.3Å; K10-Q47 WeakPolarHBondContact O-CG 2.81Å; K10-Q47 PolarHBondContact O-NE2 2.97Å; L11-Q47 HydrophobicContact CD1-CB 4.24Å; L11-Q47 HydrophobicContact CD1-CG 4.44Å; N43-Q47 VanDerWaalsContact O-CA 3.27Å; N43-Q47 WeakPolarHBondContact O-CA 3.42Å; N43-Q47 PolarHBondContact O-N 3.45Å; E45-Q47 VanDerWaalsContact C-N 3.28Å; E45-Q47 PolarHBondContact O-N 3.32Å
48Q93.6Very high94.9Very high127 Ų12756.7 Ų56.759%0.59330%0.297SS*.EExtended strand (participates in β ladder)trans-122.5142.5-174-77.4175.8-4.100111.9W42 N43 A46 I50W42-Q48 CarbonylContact C-O 3.52Å; W42-Q48 WeakPolarHBondContact CA-O 3.41Å; N43-Q48 PolarHBondContact N-O 3.27Å; N43-Q48 PolarHBondContact O-N 2.93Å; A46-Q48 VanDerWaalsContact C-N 3.25Å; A46-Q48 HydrophobicContact CB-CB 4.39Å; A46-Q48 HydrophobicContact CB-CG 4.43Å; A46-Q48 WeakPolarHBondContact O-CG 3.41Å; A46-Q48 PolarHBondContact O-N 3.25Å; Q48-I50 PolarHBondContact O-N 3.26Å
49L95.7Very high95Very high72 Ų7255.9 Ų55.938%0.37729%0.294SS..EExtended strand (participates in β ladder)trans-73.2120.4169.2-178.365.5000107.9H40 W42H40-L49 HydrophobicContact CB-CD1 3.69Å; W42-L49 HydrophobicContact CD2-CB 4.11Å; W42-L49 HydrophobicContact CD2-CD1 3.96Å; W42-L49 HydrophobicContact CE3-CB 3.86Å; W42-L49 HydrophobicContact CG-CD1 4.3Å; W42-L49 HydrophobicContact CH2-CB 3.63Å; W42-L49 HydrophobicContact CH2-CD1 4.39Å; W42-L49 HydrophobicContact CH2-CG 4.41Å; W42-L49 HydrophobicContact CZ2-CB 3.9Å; W42-L49 HydrophobicContact CZ2-CD1 3.75Å; W42-L49 HydrophobicContact CZ2-CD2 4.39Å; W42-L49 HydrophobicContact CZ2-CG 4.23Å; W42-L49 HydrophobicContact CZ3-CB 3.62Å; W42-L49 VanDerWaalsContact CZ3-N 3.29Å
50I93.8Very high95Very high61 Ų6155.9 Ų55.931%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-87.3-51.2179.5-59161.4000109.7W29 I41 N43 Q48W29-I50 HydrophobicContact CD2-CD1 3.69Å; W29-I50 VanDerWaalsContact CE2-CD1 3.41Å; W29-I50 HydrophobicContact CG-CD1 3.66Å; W29-I50 HydrophobicContact CZ2-CD1 4.08Å; I41-I50 HydrophobicContact CG2-CD1 4.23Å; I41-I50 WeakPolarHBondContact O-CB 3.45Å; I41-I50 PolarHBondContact O-N 2.93Å; N43-I50 HydrophobicContact CB-CD1 3.69Å; N43-I50 HydrophobicContact CB-CG1 3.92Å; Q48-I50 PolarHBondContact O-N 3.26Å
51K94.4Very high95Very high42 Ų4256.2 Ų56.218%0.18329%0.294CS..EExtended strand (participates in β ladder)trans-145147.9-171.3-78154.1-176.1-80.30111.2I41 Y86 N87 L89I41-K51 HydrophobicContact CB-CB 4.31Å; I41-K51 HydrophobicContact CD1-CB 4.42Å; I41-K51 PolarHBondContact N-O 3.06Å; I41-K51 PolarHBondContact O-N 2.81Å; K51-Y86 WeakPolarHBondContact CD-O 3.36Å; K51-Y86 WeakPolarHBondContact CE-O 3.21Å; K51-Y86 PolarHBondContact NZ-O 3.49Å; K51-N87 PolarHBondContact NZ-O 2.71Å; K51-L89 HydrophobicContact CB-CD2 4.18Å; K51-L89 HydrophobicContact CD-CD2 3.88Å; K51-L89 HydrophobicContact CG-CD2 3.94Å
52T96.8Very high95Very high55 Ų5556.3 Ų56.334%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-120.1130.7165.3-63.20000107.9N38 V39 H40N38-T52 HydrophobicContact CB-CG2 4.48Å; V39-T52 WeakPolarHBondContact O-CA 3.42Å; H40-T52 PolarHBondContact CE1-OG1 2.91Å; H40-T52 VanDerWaalsContact CE1-OG1 3.29Å; H40-T52 PolarHBondContact ND1-OG1 3.02Å
53I96.7Very high95.1Very high8 Ų854.7 Ų54.74%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-113.1115.9174.7-57.1170000106.7N38 V39 I41 V55 I72 F84 L89N38-I53 CarbonylContact C-O 3.41Å; N38-I53 WeakPolarHBondContact CA-O 3.31Å; V39-I53 HydrophobicContact CB-CB 4.37Å; V39-I53 PolarHBondContact N-O 3.25Å; V39-I53 PolarHBondContact O-N 3.05Å; I41-I53 HydrophobicContact CD1-CD1 4.27Å; I53-V55 HydrophobicContact CG2-CG2 3.95Å; I53-V55 PolarHBondContact O-N 3.26Å; I53-I72 HydrophobicContact CD1-CG2 3.62Å; I53-F84 HydrophobicContact CD1-CB 4.36Å; I53-F84 HydrophobicContact CG2-CD1 3.83Å; I53-F84 HydrophobicContact CG2-CD2 4.08Å; I53-F84 HydrophobicContact CG2-CE1 3.88Å; I53-F84 HydrophobicContact CG2-CE2 4.13Å; I53-F84 HydrophobicContact CG2-CG 3.93Å; I53-F84 HydrophobicContact CG2-CZ 4.03Å; I53-L89 HydrophobicContact CD1-CD2 4.35Å; I53-L89 HydrophobicContact CG1-CD2 3.9Å
54E96.2Very high95.2Very high162 Ų16255 Ų5576%0.75729%0.289SS*.EExtended strand (participates in β ladder)trans-80.7102.8171.9-62.1-178.7177.300108N38N38-E54 WeakPolarHBondContact OD1-CA 3.5Å
55V97.1Very high95.5Very high13 Ų1355.6 Ų55.68%0.07929%0.291CS..  trans-87.4-50-172.1-179.90000110.8G37 V39 I53 V60 T74 F84G37-V55 VanDerWaalsContact O-CB 3.3Å; G37-V55 WeakPolarHBondContact O-CB 3.47Å; G37-V55 PolarHBondContact O-N 3.05Å; G37-V55 VanDerWaalsContact O-N 3.11Å; V39-V55 HydrophobicContact CB-CG2 4.36Å; V39-V55 HydrophobicContact CG2-CG2 3.71Å; I53-V55 HydrophobicContact CG2-CG2 3.95Å; I53-V55 PolarHBondContact O-N 3.26Å; V55-V60 HydrophobicContact CB-CG2 3.84Å; V55-V60 HydrophobicContact CG1-CG2 3.98Å; V55-V60 HydrophobicContact CG2-CG2 4.27Å; V55-T74 WeakPolarHBondContact CG1-OG1 3.47Å; V55-T74 HydrophobicContact CG2-CG2 4.21Å; V55-F84 HydrophobicContact CB-CE2 4.47Å; V55-F84 HydrophobicContact CB-CZ 4.5Å; V55-F84 HydrophobicContact CG1-CE2 4.07Å; V55-F84 HydrophobicContact CG1-CZ 4.28Å; V55-F84 HydrophobicContact CG2-CE2 4.01Å; V55-F84 HydrophobicContact CG2-CZ 4.32Å
56C96Very high96Very high26 Ų2648.6 Ų48.618%0.17626%0.259CS..  trans-164.7-175.2179.361.50000109.7G37 S58G37-C56 CarbonylContact C-O 3.54Å; G37-C56 VanDerWaalsContact CA-O 3.28Å; G37-C56 WeakPolarHBondContact CA-O 3.41Å; G37-C56 PolarHBondContact O-N 2.65Å; C56-S58 PolarHBondContact SG-O 2.8Å
57T96.3Very high96.2Very high135 Ų13547.3 Ų47.383%0.82825%0.248SC*.SBendtrans-93.5-7.7174.553.40000113.3
58S97.1Very high96.4Very high35 Ų3546.8 Ų46.825%0.24524%0.241CC..SBendtrans-96.5158.6179.4-61.40000110.9G37 C56 V60G37-S58 WeakPolarHBondContact CA-O 3.47Å; C56-S58 PolarHBondContact SG-O 2.8Å; S58-V60 PolarHBondContact O-N 3.17Å
59P98.4Very high96.5Very high18 Ų1845 Ų4512%0.11723%0.231CC..  trans-53.5131.3177-26.733.5000113.3Y35 S76 D77Y35-P59 HydrophobicContact CD1-CG 4.17Å; Y35-P59 HydrophobicContact CD2-CB 3.64Å; Y35-P59 HydrophobicContact CD2-CG 3.78Å; Y35-P59 HydrophobicContact CE1-CG 3.96Å; Y35-P59 HydrophobicContact CE2-CB 3.8Å; Y35-P59 HydrophobicContact CE2-CG 3.56Å; Y35-P59 HydrophobicContact CG-CB 4.14Å; Y35-P59 HydrophobicContact CG-CG 4.09Å; Y35-P59 VanDerWaalsContact O-CA 3.29Å; Y35-P59 WeakPolarHBondContact O-CA 3.49Å; Y35-P59 WeakPolarHBondContact O-CG 3.46Å; P59-S76 VanDerWaalsContact O-CA 3.25Å; P59-S76 WeakPolarHBondContact O-CA 3.45Å; P59-S76 WeakPolarHBondContact O-CB 3.27Å; P59-D77 WeakPolarHBondContact CG-OD2 3.31Å; P59-D77 PolarHBondContact O-N 3.39Å
60V98.5Very high96.5Very high0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-94.4106.7169.4-1780000107.7A33 L34 V39 V55 S58 T74A33-V60 HydrophobicContact CB-CB 4.12Å; A33-V60 HydrophobicContact CB-CG1 3.74Å; A33-V60 WeakPolarHBondContact CB-O 3.32Å; L34-V60 PolarHBondContact O-N 2.82Å; L34-V60 VanDerWaalsContact O-N 3.14Å; V39-V60 HydrophobicContact CG2-CG1 4.14Å; V55-V60 HydrophobicContact CB-CG2 3.84Å; V55-V60 HydrophobicContact CG1-CG2 3.98Å; V55-V60 HydrophobicContact CG2-CG2 4.27Å; S58-V60 PolarHBondContact O-N 3.17Å; V60-T74 HydrophobicContact CG1-CG2 4.43Å
61R98.1Very high96.7Very high34 Ų3443.3 Ų43.313%0.12822%0.221CC..EExtended strand (participates in β ladder)trans-86.5-25.7-174.6-67.9-171.4-174.9-89.4-13.1113.9S20 G75 D77 I102 R103S20-R61 WeakPolarHBondContact CB-O 3.45Å; R61-G75 PolarHBondContact N-O 2.84Å; R61-D77 WeakPolarHBondContact CD-OD1 3.41Å; R61-D77 WeakPolarHBondContact CG-OD1 3.21Å; R61-D77 IonicContact CZ-OD1 3.7Å; R61-D77 IonicContact CZ-OD2 3.74Å; R61-D77 VanDerWaalsContact NE-CG 3.32Å; R61-D77 IonicContact NE-OD1 2.81Å; R61-D77 PolarHBondContact NE-OD1 3.38Å; R61-D77 IonicContact NE-OD2 3.59Å; R61-D77 PolarHBondContact NE-OD2 3.48Å; R61-D77 IonicContact NH2-OD1 3.47Å; R61-D77 IonicContact NH2-OD2 2.66Å; R61-D77 PolarHBondContact NH2-OD2 2.7Å; R61-I102 WeakPolarHBondContact CB-O 3.49Å; R61-R103 VanDerWaalsContact NH1-NH1 3.18Å
62A98.2Very high96.9Very high3 Ų341.3 Ų41.33%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-133.8133.4-17800000110.7T74 G75 I105A62-T74 CarbonylContact O-C 3.5Å; A62-T74 VanDerWaalsContact O-CA 3.25Å; A62-T74 WeakPolarHBondContact O-CA 3.47Å; A62-G75 PolarHBondContact N-O 3.05Å; A62-G75 PolarHBondContact O-N 2.83Å; A62-I105 HydrophobicContact CB-CB 4.08Å; A62-I105 HydrophobicContact CB-CD1 3.79Å; A62-I105 HydrophobicContact CB-CG1 3.66Å
63A98Very high97Very high0 Ų038.7 Ų38.70%020%0.197CC..EExtended strand (participates in β ladder)trans-140.4136.3166.200000110.1S20 A33 V39 I72 V73 T74S20-A63 PolarHBondContact OG-N 3.1Å; A33-A63 HydrophobicContact CB-CB 3.78Å; V39-A63 HydrophobicContact CG2-CB 4.44Å; A63-I72 HydrophobicContact CB-CD1 4.37Å; A63-I72 HydrophobicContact CB-CG1 4.44Å; A63-V73 CarbonylContact C-O 3.19Å; A63-V73 VanDerWaalsContact CA-O 3.25Å; A63-V73 WeakPolarHBondContact CA-O 3.47Å; A63-T74 HydrophobicContact CB-CG2 4.15Å
64K98.2Very high97Very high40 Ų4038.3 Ų38.317%0.17420%0.195CC..EExtended strand (participates in β ladder)trans-137.6139178-68-61.3173.8-153.10112.2V21 D22 I72 V73 I105 V107V21-K64 PolarHBondContact O-NZ 3.44Å; D22-K64 HydrophobicContact CB-CD 4.04Å; D22-K64 VanDerWaalsContact OD1-CD 3.28Å; D22-K64 WeakPolarHBondContact OD1-CD 3.42Å; D22-K64 IonicContact OD1-NZ 2.92Å; D22-K64 PolarHBondContact OD1-NZ 2.94Å; D22-K64 WeakPolarHBondContact OD2-CA 3.42Å; D22-K64 WeakPolarHBondContact OD2-CD 3.42Å; K64-I72 WeakPolarHBondContact O-CA 3.46Å; K64-V73 PolarHBondContact N-O 2.93Å; K64-V73 PolarHBondContact O-N 3.07Å; K64-I105 HydrophobicContact CB-CG2 4.37Å; K64-I105 HydrophobicContact CG-CB 4.24Å; K64-I105 HydrophobicContact CG-CG2 4.14Å; K64-I105 WeakPolarHBondContact CG-O 3.25Å; K64-V107 HydrophobicContact CB-CG2 3.79Å; K64-V107 HydrophobicContact CG-CG2 4.43Å
65F97.4Very high97.2Very high15 Ų1530.6 Ų30.67%0.06616%0.159CC..EExtended strand (participates in β ladder)trans-74141.1170.2-78.4-68.7000110.9D22 H24 C31 I41 I72 Y86D22-F65 HydrophobicContact CB-CD2 4.26Å; D22-F65 PolarHBondContact OD2-N 3.07Å; H24-F65 HydrophobicContact CB-CD2 4.02Å; H24-F65 HydrophobicContact CB-CE2 3.91Å; H24-F65 HydrophobicContact CB-CG 4.43Å; H24-F65 HydrophobicContact CB-CZ 4.24Å; H24-F65 AromaticContact CD2-CD1 3.72Å; H24-F65 AromaticContact CD2-CE1 3.98Å; H24-F65 AromaticContact CD2-CG 3.92Å; C31-F65 HydrophobicContact CB-CD2 4.41Å; C31-F65 HydrophobicContact CB-CE2 3.57Å; C31-F65 HydrophobicContact CB-CZ 3.68Å; I41-F65 HydrophobicContact CD1-CE1 4.25Å; I41-F65 HydrophobicContact CD1-CZ 4.32Å; I41-F65 HydrophobicContact CG1-CZ 4.41Å; I41-F65 HydrophobicContact CG2-CZ 4.23Å; F65-I72 HydrophobicContact CE1-CD1 4.41Å; F65-Y86 AromaticContact CD1-CD1 3.72Å; F65-Y86 HydrophobicContact CD1-CD1 3.72Å; F65-Y86 AromaticContact CD1-CE1 3.77Å; F65-Y86 HydrophobicContact CD1-CE1 3.77Å; F65-Y86 AromaticContact CE1-CD1 3.76Å; F65-Y86 HydrophobicContact CE1-CD1 3.76Å; F65-Y86 HydrophobicContact CE1-CE1 4.1Å; F65-Y86 HydrophobicContact CE1-CG 4.31Å
66V97Very high97.2Very high3 Ų330 Ų302%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-11973.4163.3-169.60000107R68 K69 N70 W71 V73 V107 W128V66-R68 HydrophobicContact CG1-CG 3.95Å; V66-R68 PolarHBondContact O-N 3.11Å; V66-R68 VanDerWaalsContact O-N 3.14Å; V66-K69 HydrophobicContact CG1-CB 4.24Å; V66-K69 HydrophobicContact CG1-CG 4.15Å; V66-K69 PolarHBondContact O-N 3.24Å; V66-N70 PolarHBondContact O-N 3.31Å; V66-N70 VanDerWaalsContact O-N 3.15Å; V66-W71 HydrophobicContact CB-CB 4.18Å; V66-W71 PolarHBondContact N-O 3.01Å; V66-W71 PolarHBondContact O-N 3.05Å; V66-W71 VanDerWaalsContact O-N 3.15Å; V66-V73 HydrophobicContact CG2-CG2 3.66Å; V66-V107 HydrophobicContact CG1-CG1 4.48Å; V66-V107 HydrophobicContact CG2-CG1 4.04Å; V66-V107 HydrophobicContact CG2-CG2 3.99Å; V66-W128 HydrophobicContact CG1-CH2 4.06Å; V66-W128 HydrophobicContact CG1-CZ2 4.18Å
67A93Very high97.3Very high23 Ų2329.4 Ų29.419%0.1915%0.15CC..G310 helixtrans-54.2-37.2-173.200000112.5H24 S25 K69 N70H24-A67 WeakPolarHBondContact NE2-CB 3.41Å; S25-A67 WeakPolarHBondContact OG-CB 3.43Å; A67-K69 PolarHBondContact O-N 3.21Å; A67-N70 PolarHBondContact O-N 3.13Å; A67-N70 PolarHBondContact O-OD1 3.38Å
68R93.7Very high97.4Very high110 Ų11025 Ų2542%0.41512%0.121SC..G310 helixtrans-61.6-13.7177.464.8173.3-179.2-97.88.1115.1V66 H108 P109 Q111 W128V66-R68 HydrophobicContact CG1-CG 3.95Å; V66-R68 PolarHBondContact O-N 3.11Å; V66-R68 VanDerWaalsContact O-N 3.14Å; R68-H108 PolarHBondContact NH1-O 2.9Å; R68-H108 PolarHBondContact NH2-O 3.15Å; R68-P109 PolarHBondContact NH1-O 3.46Å; R68-Q111 PolarHBondContact NH2-O 2.79Å; R68-W128 VanDerWaalsContact NH2-CZ2 3.3Å
69K95.7Very high97.4Very high89 Ų8926.3 Ų26.339%0.38712%0.124SC..G310 helixtrans-120.30.3175.2-61.6-67.1-75.5-175.30112.8V66 A67 W71V66-K69 HydrophobicContact CG1-CB 4.24Å; V66-K69 HydrophobicContact CG1-CG 4.15Å; V66-K69 PolarHBondContact O-N 3.24Å; A67-K69 PolarHBondContact O-N 3.21Å; K69-W71 VanDerWaalsContact C-N 3.33Å; K69-W71 HydrophobicContact CB-CD2 3.4Å; K69-W71 VanDerWaalsContact CB-CE2 3.49Å; K69-W71 HydrophobicContact CB-CE3 3.75Å; K69-W71 HydrophobicContact CB-CG 3.77Å; K69-W71 HydrophobicContact CB-CH2 4.31Å; K69-W71 HydrophobicContact CB-CZ2 3.98Å; K69-W71 HydrophobicContact CB-CZ3 4.19Å; K69-W71 VanDerWaalsContact CE-CZ2 3.47Å; K69-W71 HydrophobicContact CG-CD2 4.22Å; K69-W71 HydrophobicContact CG-CE3 4.11Å; K69-W71 HydrophobicContact CG-CH2 4.23Å; K69-W71 HydrophobicContact CG-CZ2 4.32Å; K69-W71 HydrophobicContact CG-CZ3 4.1Å; K69-W71 PolarHBondContact O-NE1 3.22Å
70N96.6Very high97.4Very high70 Ų7026.8 Ų26.837%0.37413%0.125SC..THydrogen-bonded Turntrans59.336.6-168.9-54-48.9000114.9V66 A67 N85 Y86V66-N70 PolarHBondContact O-N 3.31Å; V66-N70 VanDerWaalsContact O-N 3.15Å; A67-N70 PolarHBondContact O-N 3.13Å; A67-N70 PolarHBondContact O-OD1 3.38Å; N70-N85 WeakPolarHBondContact O-CA 3.35Å; N70-Y86 VanDerWaalsContact C-CD1 3.44Å; N70-Y86 VanDerWaalsContact CA-CE1 3.42Å; N70-Y86 VanDerWaalsContact CA-OH 3.32Å; N70-Y86 WeakPolarHBondContact CA-OH 3.49Å; N70-Y86 HydrophobicContact CB-CE1 4.24Å; N70-Y86 HydrophobicContact CB-CE2 3.99Å; N70-Y86 WeakPolarHBondContact O-CD1 3.46Å; N70-Y86 WeakPolarHBondContact O-CE1 3.44Å; N70-Y86 PolarHBondContact O-N 2.76Å; N70-Y86 PolarHBondContact OD1-OH 3.4Å
71W97.7Very high97.4Very high29 Ų2926.8 Ų26.811%0.1113%0.125CC..EExtended strand (participates in β ladder)trans-110.6158.9-177.2-53-20.7000113.6V66 K69 V83 F84 Y86 I92 W128 W132V66-W71 HydrophobicContact CB-CB 4.18Å; V66-W71 PolarHBondContact N-O 3.01Å; V66-W71 PolarHBondContact O-N 3.05Å; V66-W71 VanDerWaalsContact O-N 3.15Å; K69-W71 VanDerWaalsContact C-N 3.33Å; K69-W71 HydrophobicContact CB-CD2 3.4Å; K69-W71 VanDerWaalsContact CB-CE2 3.49Å; K69-W71 HydrophobicContact CB-CE3 3.75Å; K69-W71 HydrophobicContact CB-CG 3.77Å; K69-W71 HydrophobicContact CB-CH2 4.31Å; K69-W71 HydrophobicContact CB-CZ2 3.98Å; K69-W71 HydrophobicContact CB-CZ3 4.19Å; K69-W71 VanDerWaalsContact CE-CZ2 3.47Å; K69-W71 HydrophobicContact CG-CD2 4.22Å; K69-W71 HydrophobicContact CG-CE3 4.11Å; K69-W71 HydrophobicContact CG-CH2 4.23Å; K69-W71 HydrophobicContact CG-CZ2 4.32Å; K69-W71 HydrophobicContact CG-CZ3 4.1Å; K69-W71 PolarHBondContact O-NE1 3.22Å; W71-V83 HydrophobicContact CB-CG1 3.93Å; W71-V83 HydrophobicContact CD2-CG1 3.86Å; W71-V83 HydrophobicContact CE3-CG1 3.82Å; W71-V83 HydrophobicContact CG-CG1 3.95Å; W71-F84 CarbonylContact C-O 3.59Å; W71-F84 WeakPolarHBondContact CA-O 3.31Å; W71-Y86 WeakPolarHBondContact O-CD1 3.5Å; W71-Y86 WeakPolarHBondContact O-CE1 3.12Å; W71-I92 HydrophobicContact CD2-CD1 3.92Å; W71-I92 HydrophobicContact CG-CD1 3.67Å; W71-I92 HydrophobicContact CZ2-CD1 4.31Å; W71-I92 HydrophobicContact CZ2-CG2 4.35Å; W71-W128 HydrophobicContact CH2-CG 4.47Å; W71-W128 HydrophobicContact CZ3-CB 4.26Å; W71-W128 HydrophobicContact CZ3-CD2 4.36Å; W71-W128 AromaticContact CZ3-CG 3.97Å; W71-W128 HydrophobicContact CZ3-CG 3.97Å; W71-W132 HydrophobicContact CE3-CZ2 4.32Å; W71-W132 HydrophobicContact CH2-CZ2 4.46Å; W71-W132 HydrophobicContact CZ3-CH2 4.46Å; W71-W132 AromaticContact CZ3-CZ2 3.78Å; W71-W132 HydrophobicContact CZ3-CZ2 3.78Å
72I98Very high97.4Very high0 Ų026.1 Ų26.10%012%0.122CC..EExtended strand (participates in β ladder)trans-120.4133.7157.6-169.1161.3000108.5C31 V39 I53 A63 K64 F65 T74 V83 F84C31-I72 HydrophobicContact CB-CD1 3.61Å; V39-I72 HydrophobicContact CG1-CD1 3.63Å; I53-I72 HydrophobicContact CD1-CG2 3.62Å; A63-I72 HydrophobicContact CB-CD1 4.37Å; A63-I72 HydrophobicContact CB-CG1 4.44Å; K64-I72 WeakPolarHBondContact O-CA 3.46Å; F65-I72 HydrophobicContact CE1-CD1 4.41Å; I72-T74 HydrophobicContact CG1-CG2 4.43Å; I72-V83 WeakPolarHBondContact O-CA 3.36Å; I72-F84 HydrophobicContact CG2-CB 3.83Å; I72-F84 HydrophobicContact CG2-CD2 4.45Å; I72-F84 PolarHBondContact N-O 3.35Å; I72-F84 PolarHBondContact O-N 3.27Å
73V98.4Very high97.4Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-113.9130.8-178.8-175.90000107.9A63 K64 V66 L81 R82 V83 I105 I114A63-V73 CarbonylContact C-O 3.19Å; A63-V73 VanDerWaalsContact CA-O 3.25Å; A63-V73 WeakPolarHBondContact CA-O 3.47Å; K64-V73 PolarHBondContact N-O 2.93Å; K64-V73 PolarHBondContact O-N 3.07Å; V66-V73 HydrophobicContact CG2-CG2 3.66Å; V73-L81 HydrophobicContact CG1-CD1 3.47Å; V73-L81 VanDerWaalsContact CG1-CD1 3.47Å; V73-L81 HydrophobicContact CG1-CG 4.12Å; V73-R82 CarbonylContact C-O 3.55Å; V73-R82 WeakPolarHBondContact CA-O 3.15Å; V73-V83 HydrophobicContact CG1-CG2 4.25Å; V73-V83 HydrophobicContact CG2-CG1 4.12Å; V73-V83 HydrophobicContact CG2-CG2 4.22Å; V73-I105 HydrophobicContact CG1-CD1 4.23Å; V73-I114 HydrophobicContact CB-CD1 4.16Å; V73-I114 HydrophobicContact CG1-CD1 3.81Å; V73-I114 HydrophobicContact CG2-CD1 3.67Å
74T98.6Very high97.4Very high0 Ų026.6 Ų26.60%012%0.124CC..EExtended strand (participates in β ladder)trans-129141.6-171620000111.4V39 V55 V60 A62 A63 I72 L81 R82V39-T74 HydrophobicContact CG2-CG2 3.91Å; V55-T74 WeakPolarHBondContact CG1-OG1 3.47Å; V55-T74 HydrophobicContact CG2-CG2 4.21Å; V60-T74 HydrophobicContact CG1-CG2 4.43Å; A62-T74 CarbonylContact O-C 3.5Å; A62-T74 VanDerWaalsContact O-CA 3.25Å; A62-T74 WeakPolarHBondContact O-CA 3.47Å; A63-T74 HydrophobicContact CB-CG2 4.15Å; I72-T74 HydrophobicContact CG1-CG2 4.43Å; T74-L81 WeakPolarHBondContact O-CA 3.47Å; T74-R82 PolarHBondContact N-O 3.25Å; T74-R82 PolarHBondContact O-N 2.79Å; T74-R82 PolarHBondContact OG1-O 3.11Å
75G98.4Very high97.3Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-126.1131.4174.400000110.3R61 A62 I105R61-G75 PolarHBondContact N-O 2.84Å; A62-G75 PolarHBondContact N-O 3.05Å; A62-G75 PolarHBondContact O-N 2.83Å; G75-I105 VanDerWaalsContact N-CD1 3.29Å
76S98.2Very high97.2Very high0 Ų025.8 Ų25.80%012%0.122CC..EExtended strand (participates in β ladder)trans-128.7170.1-171.636.20000112.8P59 D78 M79 Q80 R82P59-S76 VanDerWaalsContact O-CA 3.25Å; P59-S76 WeakPolarHBondContact O-CA 3.45Å; P59-S76 WeakPolarHBondContact O-CB 3.27Å; S76-D78 VanDerWaalsContact CB-OD1 3.31Å; S76-D78 WeakPolarHBondContact CB-OD1 3.32Å; S76-D78 PolarHBondContact O-N 3.43Å; S76-D78 PolarHBondContact OG-OD1 3.26Å; S76-M79 PolarHBondContact O-N 3.2Å; S76-Q80 PolarHBondContact N-O 3.41Å; S76-Q80 PolarHBondContact OG-O 2.89Å; S76-R82 PolarHBondContact OG-NH1 3.14Å
77D98.2Very high97.1Very high13 Ų1329.4 Ų29.47%0.0714%0.141CC..THydrogen-bonded Turntrans-71.7-13.4-179.9-71.55.5000113.1P59 R61 M79 Y101P59-D77 WeakPolarHBondContact CG-OD2 3.31Å; P59-D77 PolarHBondContact O-N 3.39Å; R61-D77 WeakPolarHBondContact CD-OD1 3.41Å; R61-D77 WeakPolarHBondContact CG-OD1 3.21Å; R61-D77 IonicContact CZ-OD1 3.7Å; R61-D77 IonicContact CZ-OD2 3.74Å; R61-D77 VanDerWaalsContact NE-CG 3.32Å; R61-D77 IonicContact NE-OD1 2.81Å; R61-D77 PolarHBondContact NE-OD1 3.38Å; R61-D77 IonicContact NE-OD2 3.59Å; R61-D77 PolarHBondContact NE-OD2 3.48Å; R61-D77 IonicContact NH2-OD1 3.47Å; R61-D77 IonicContact NH2-OD2 2.66Å; R61-D77 PolarHBondContact NH2-OD2 2.7Å; D77-M79 PolarHBondContact O-N 3.26Å; D77-Y101 HydrophobicContact CB-CD1 3.64Å; D77-Y101 HydrophobicContact CB-CE1 3.85Å; D77-Y101 HydrophobicContact CB-CG 4.06Å; D77-Y101 WeakPolarHBondContact O-CD1 3.2Å; D77-Y101 WeakPolarHBondContact O-CE1 3.22Å
78D97.3Very high97.2Very high43 Ų4332.4 Ų32.423%0.2316%0.157CC..THydrogen-bonded Turntrans-78.713.4169.771.2-10.1000113.3S76 Q80 R82S76-D78 VanDerWaalsContact CB-OD1 3.31Å; S76-D78 WeakPolarHBondContact CB-OD1 3.32Å; S76-D78 PolarHBondContact O-N 3.43Å; S76-D78 PolarHBondContact OG-OD1 3.26Å; D78-Q80 WeakPolarHBondContact O-CG 3.26Å; D78-Q80 PolarHBondContact O-N 2.85Å; D78-Q80 VanDerWaalsContact O-N 3.15Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.23Å; D78-Q80 PolarHBondContact OD1-N 2.88Å; D78-R82 IonicContact OD1-NH1 3.63Å; D78-R82 PolarHBondContact OD1-NH1 3.19Å; D78-R82 IonicContact OD2-CZ 2.83Å; D78-R82 IonicContact OD2-NH1 3.02Å; D78-R82 PolarHBondContact OD2-NH1 3.5Å; D78-R82 IonicContact OD2-NH2 2.84Å; D78-R82 PolarHBondContact OD2-NH2 3.37Å
79M97.7Very high97.1Very high63 Ų6330.8 Ų30.831%0.3116%0.157SC..SBendtrans697.1175.4-41.2165.6-174.600114.6S76 D77 A97 H98 S99S76-M79 PolarHBondContact O-N 3.2Å; D77-M79 PolarHBondContact O-N 3.26Å; M79-A97 PolarHBondContact O-N 3.5Å; M79-H98 WeakPolarHBondContact CB-O 3.39Å; M79-H98 PolarHBondContact O-N 2.81Å; M79-S99 WeakPolarHBondContact CE-O 3.38Å
80Q98.1Very high97.1Very high28 Ų2832.8 Ų32.813%0.13117%0.167CC..EExtended strand (participates in β ladder)trans-95.7136.8-175.9-58.9-70.2-49.400112.2S76 D78 R82 Q94 I95 I102S76-Q80 PolarHBondContact N-O 3.41Å; S76-Q80 PolarHBondContact OG-O 2.89Å; D78-Q80 WeakPolarHBondContact O-CG 3.26Å; D78-Q80 PolarHBondContact O-N 2.85Å; D78-Q80 VanDerWaalsContact O-N 3.15Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.23Å; D78-Q80 PolarHBondContact OD1-N 2.88Å; Q80-R82 HydrophobicContact CB-CG 4.46Å; Q80-Q94 VanDerWaalsContact OE1-CG 3.3Å; Q80-I95 CarbonylContact C-O 3.52Å; Q80-I95 WeakPolarHBondContact CA-O 3.31Å; Q80-I95 VanDerWaalsContact OE1-C 3.29Å; Q80-I95 PolarHBondContact OE1-O 3.06Å; Q80-I102 WeakPolarHBondContact O-CD1 3.23Å
81L98.3Very high97.1Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-93.5122.7161-176.272.1000108.4V73 T74 Q94 I95 A97 I105 T116 W126 W132V73-L81 HydrophobicContact CG1-CD1 3.47Å; V73-L81 VanDerWaalsContact CG1-CD1 3.47Å; V73-L81 HydrophobicContact CG1-CG 4.12Å; T74-L81 WeakPolarHBondContact O-CA 3.47Å; L81-Q94 WeakPolarHBondContact O-CA 3.47Å; L81-I95 PolarHBondContact N-O 2.95Å; L81-I95 PolarHBondContact O-N 3.07Å; L81-A97 HydrophobicContact CB-CB 3.67Å; L81-I105 HydrophobicContact CD1-CD1 3.73Å; L81-I105 HydrophobicContact CD1-CG1 4.42Å; L81-T116 HydrophobicContact CD1-CG2 3.93Å; L81-T116 HydrophobicContact CD2-CG2 4.3Å; L81-W126 HydrophobicContact CD2-CG 4.37Å; L81-W132 HydrophobicContact CD2-CE3 4.19Å; L81-W132 HydrophobicContact CD2-CZ3 3.92Å
82R98.4Very high97Very high19 Ų1937.6 Ų37.67%0.07218%0.184CC..EExtended strand (participates in β ladder)trans-121.8149.9176.9-64.7-179.8-178.591.2-3.9111.4V73 T74 S76 D78 Q80 F84 Q93 Q94V73-R82 CarbonylContact C-O 3.55Å; V73-R82 WeakPolarHBondContact CA-O 3.15Å; T74-R82 PolarHBondContact N-O 3.25Å; T74-R82 PolarHBondContact O-N 2.79Å; T74-R82 PolarHBondContact OG1-O 3.11Å; S76-R82 PolarHBondContact OG-NH1 3.14Å; D78-R82 IonicContact OD1-NH1 3.63Å; D78-R82 PolarHBondContact OD1-NH1 3.19Å; D78-R82 IonicContact OD2-CZ 2.83Å; D78-R82 IonicContact OD2-NH1 3.02Å; D78-R82 PolarHBondContact OD2-NH1 3.5Å; D78-R82 IonicContact OD2-NH2 2.84Å; D78-R82 PolarHBondContact OD2-NH2 3.37Å; Q80-R82 HydrophobicContact CB-CG 4.46Å; R82-F84 HydrophobicContact CB-CD2 4.41Å; R82-F84 HydrophobicContact CB-CE2 3.59Å; R82-F84 HydrophobicContact CB-CZ 4.1Å; R82-Q93 WeakPolarHBondContact CA-O 3.13Å; R82-Q94 HydrophobicContact CG-CB 4.19Å; R82-Q94 HydrophobicContact CG-CG 3.95Å
83V98.4Very high97Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-131.9125.7-177.1-172.50000108.3W71 I72 V73 R91 I92 Q93 W132W71-V83 HydrophobicContact CB-CG1 3.93Å; W71-V83 HydrophobicContact CD2-CG1 3.86Å; W71-V83 HydrophobicContact CE3-CG1 3.82Å; W71-V83 HydrophobicContact CG-CG1 3.95Å; I72-V83 WeakPolarHBondContact O-CA 3.36Å; V73-V83 HydrophobicContact CG1-CG2 4.25Å; V73-V83 HydrophobicContact CG2-CG1 4.12Å; V73-V83 HydrophobicContact CG2-CG2 4.22Å; V83-R91 CarbonylContact O-C 3.58Å; V83-R91 WeakPolarHBondContact O-CA 3.26Å; V83-I92 HydrophobicContact CB-CB 4.36Å; V83-I92 HydrophobicContact CG1-CB 4.26Å; V83-I92 HydrophobicContact CG1-CD1 4Å; V83-I92 PolarHBondContact O-N 2.89Å; V83-Q93 HydrophobicContact CB-CB 4.1Å; V83-Q93 HydrophobicContact CG2-CB 3.99Å; V83-Q93 PolarHBondContact N-O 3.43Å; V83-Q93 PolarHBondContact O-N 3.48Å; V83-W132 HydrophobicContact CB-CH2 4.42Å; V83-W132 HydrophobicContact CB-CZ2 4.3Å; V83-W132 HydrophobicContact CG1-CH2 4.37Å; V83-W132 HydrophobicContact CG1-CZ2 4.18Å; V83-W132 HydrophobicContact CG2-CH2 3.3Å; V83-W132 HydrophobicContact CG2-CZ2 3.5Å; V83-W132 HydrophobicContact CG2-CZ3 3.94Å
84F98.1Very high96.9Very high13 Ų1344.2 Ų44.26%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-122.4142.4179.5-58.2-96.8000110I53 V55 W71 I72 R82 Y86 E90 R91I53-F84 HydrophobicContact CD1-CB 4.36Å; I53-F84 HydrophobicContact CG2-CD1 3.83Å; I53-F84 HydrophobicContact CG2-CD2 4.08Å; I53-F84 HydrophobicContact CG2-CE1 3.88Å; I53-F84 HydrophobicContact CG2-CE2 4.13Å; I53-F84 HydrophobicContact CG2-CG 3.93Å; I53-F84 HydrophobicContact CG2-CZ 4.03Å; V55-F84 HydrophobicContact CB-CE2 4.47Å; V55-F84 HydrophobicContact CB-CZ 4.5Å; V55-F84 HydrophobicContact CG1-CE2 4.07Å; V55-F84 HydrophobicContact CG1-CZ 4.28Å; V55-F84 HydrophobicContact CG2-CE2 4.01Å; V55-F84 HydrophobicContact CG2-CZ 4.32Å; W71-F84 CarbonylContact C-O 3.59Å; W71-F84 WeakPolarHBondContact CA-O 3.31Å; I72-F84 HydrophobicContact CG2-CB 3.83Å; I72-F84 HydrophobicContact CG2-CD2 4.45Å; I72-F84 PolarHBondContact N-O 3.35Å; I72-F84 PolarHBondContact O-N 3.27Å; R82-F84 HydrophobicContact CB-CD2 4.41Å; R82-F84 HydrophobicContact CB-CE2 3.59Å; R82-F84 HydrophobicContact CB-CZ 4.1Å; F84-Y86 PolarHBondContact O-N 3Å; F84-E90 CarbonylContact C-O 3.54Å; F84-E90 VanDerWaalsContact CA-O 3.26Å; F84-E90 WeakPolarHBondContact CA-O 3.14Å; F84-R91 HydrophobicContact CD1-CB 3.87Å; F84-R91 HydrophobicContact CD1-CG 4.28Å; F84-R91 HydrophobicContact CE1-CB 3.74Å; F84-R91 HydrophobicContact CE1-CG 3.94Å; F84-R91 HydrophobicContact CZ-CG 4.29Å
85N97.3Very high96.8Very high32 Ų3245.5 Ų45.517%0.17122%0.221CC..EExtended strand (participates in β ladder)trans-77.7116.6165.9-174.3-48.5000107.9N70 N87 T88 L89 E90 I92N70-N85 WeakPolarHBondContact O-CA 3.35Å; N85-N87 PolarHBondContact O-N 2.72Å; N85-N87 WeakPolarHBondContact OD1-CA 3.15Å; N85-N87 WeakPolarHBondContact OD1-CB 3.36Å; N85-N87 PolarHBondContact OD1-N 3.24Å; N85-T88 WeakPolarHBondContact CB-OG1 3.48Å; N85-T88 PolarHBondContact O-N 3.45Å; N85-T88 PolarHBondContact OD1-N 3.41Å; N85-L89 WeakPolarHBondContact O-CA 3.47Å; N85-L89 PolarHBondContact O-N 2.98Å; N85-E90 PolarHBondContact N-O 3.07Å; N85-I92 HydrophobicContact CB-CD1 3.86Å; N85-I92 HydrophobicContact CB-CG1 4.33Å
86Y94.9Very high96.8Very high6 Ų651.5 Ų51.52%0.02425%0.249CC..THydrogen-bonded Turntrans-72.9-15.9-176.255.9-113.5000113.1H24 W29 K51 F65 N70 W71 F84H24-Y86 AromaticContact NE2-CZ 3.55Å; H24-Y86 PolarHBondContact NE2-OH 3.28Å; W29-Y86 AromaticContact CZ3-CD2 3.81Å; W29-Y86 HydrophobicContact CZ3-CD2 3.81Å; W29-Y86 AromaticContact CZ3-CE2 3.95Å; W29-Y86 HydrophobicContact CZ3-CE2 3.95Å; K51-Y86 WeakPolarHBondContact CD-O 3.36Å; K51-Y86 WeakPolarHBondContact CE-O 3.21Å; K51-Y86 PolarHBondContact NZ-O 3.49Å; F65-Y86 AromaticContact CD1-CD1 3.72Å; F65-Y86 HydrophobicContact CD1-CD1 3.72Å; F65-Y86 AromaticContact CD1-CE1 3.77Å; F65-Y86 HydrophobicContact CD1-CE1 3.77Å; F65-Y86 AromaticContact CE1-CD1 3.76Å; F65-Y86 HydrophobicContact CE1-CD1 3.76Å; F65-Y86 HydrophobicContact CE1-CE1 4.1Å; F65-Y86 HydrophobicContact CE1-CG 4.31Å; N70-Y86 VanDerWaalsContact C-CD1 3.44Å; N70-Y86 VanDerWaalsContact CA-CE1 3.42Å; N70-Y86 VanDerWaalsContact CA-OH 3.32Å; N70-Y86 WeakPolarHBondContact CA-OH 3.49Å; N70-Y86 HydrophobicContact CB-CE1 4.24Å; N70-Y86 HydrophobicContact CB-CE2 3.99Å; N70-Y86 WeakPolarHBondContact O-CD1 3.46Å; N70-Y86 WeakPolarHBondContact O-CE1 3.44Å; N70-Y86 PolarHBondContact O-N 2.76Å; N70-Y86 PolarHBondContact OD1-OH 3.4Å; W71-Y86 WeakPolarHBondContact O-CD1 3.5Å; W71-Y86 WeakPolarHBondContact O-CE1 3.12Å; F84-Y86 PolarHBondContact O-N 3Å
87N93.9Very high96.7Very high79 Ų7951.5 Ų51.542%0.42225%0.249SC..THydrogen-bonded Turntrans-78-47.8175.2-66.1-31.1000110.9K51 N85K51-N87 PolarHBondContact NZ-O 2.71Å; N85-N87 PolarHBondContact O-N 2.72Å; N85-N87 WeakPolarHBondContact OD1-CA 3.15Å; N85-N87 WeakPolarHBondContact OD1-CB 3.36Å; N85-N87 PolarHBondContact OD1-N 3.24Å
88T94.7Very high96.7Very high87 Ų8751 Ų5153%0.53425%0.247SC..THydrogen-bonded Turntrans-94-14-176.464.20000114.4N85 E90N85-T88 WeakPolarHBondContact CB-OG1 3.48Å; N85-T88 PolarHBondContact O-N 3.45Å; N85-T88 PolarHBondContact OD1-N 3.41Å; T88-E90 PolarHBondContact O-N 3.42Å; T88-E90 WeakPolarHBondContact OG1-CB 3.46Å; T88-E90 PolarHBondContact OG1-N 3.49Å
89L92.5Very high96.7Very high76 Ų7652.7 Ų52.740%0.39826%0.262SS..  trans63.49.5-171-53.9176.3000114.6K51 I53 N85K51-L89 HydrophobicContact CB-CD2 4.18Å; K51-L89 HydrophobicContact CD-CD2 3.88Å; K51-L89 HydrophobicContact CG-CD2 3.94Å; I53-L89 HydrophobicContact CD1-CD2 4.35Å; I53-L89 HydrophobicContact CG1-CD2 3.9Å; N85-L89 WeakPolarHBondContact O-CA 3.47Å; N85-L89 PolarHBondContact O-N 2.98Å
90E95.5Very high96.7Very high130 Ų13052 Ų5261%0.60726%0.26SS*.  trans-73.1137.5178.7-171.7-177.1177.600111.5F84 N85 T88 I92F84-E90 CarbonylContact C-O 3.54Å; F84-E90 VanDerWaalsContact CA-O 3.26Å; F84-E90 WeakPolarHBondContact CA-O 3.14Å; N85-E90 PolarHBondContact N-O 3.07Å; T88-E90 PolarHBondContact O-N 3.42Å; T88-E90 WeakPolarHBondContact OG1-CB 3.46Å; T88-E90 PolarHBondContact OG1-N 3.49Å; E90-I92 PolarHBondContact O-N 2.98Å
91R96.9Very high96.7Very high143 Ų14355.2 Ų55.254%0.5427%0.271SS..EExtended strand (participates in β ladder)trans-79.2108.6171.9-173.2-179.667.3-157.4-2.9109.8V83 F84 Q94V83-R91 CarbonylContact O-C 3.58Å; V83-R91 WeakPolarHBondContact O-CA 3.26Å; F84-R91 HydrophobicContact CD1-CB 3.87Å; F84-R91 HydrophobicContact CD1-CG 4.28Å; F84-R91 HydrophobicContact CE1-CB 3.74Å; F84-R91 HydrophobicContact CE1-CG 3.94Å; F84-R91 HydrophobicContact CZ-CG 4.29Å; R91-Q94 VanDerWaalsContact NH1-OE1 3.09Å
92I96.2Very high96.7Very high57 Ų5755.2 Ų55.229%0.29227%0.271SS..EExtended strand (participates in β ladder)trans-76.7-40.8-179.1-62.9152.5000111.4W71 V83 N85 E90W71-I92 HydrophobicContact CD2-CD1 3.92Å; W71-I92 HydrophobicContact CG-CD1 3.67Å; W71-I92 HydrophobicContact CZ2-CD1 4.31Å; W71-I92 HydrophobicContact CZ2-CG2 4.35Å; V83-I92 HydrophobicContact CB-CB 4.36Å; V83-I92 HydrophobicContact CG1-CB 4.26Å; V83-I92 HydrophobicContact CG1-CD1 4Å; V83-I92 PolarHBondContact O-N 2.89Å; N85-I92 HydrophobicContact CB-CD1 3.86Å; N85-I92 HydrophobicContact CB-CG1 4.33Å; E90-I92 PolarHBondContact O-N 2.98Å
93Q96.6Very high96.7Very high65 Ų6556.9 Ų56.930%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-151148.4-174.1-170.362.714.400111.4R82 V83 I95 W132R82-Q93 WeakPolarHBondContact CA-O 3.13Å; V83-Q93 HydrophobicContact CB-CB 4.1Å; V83-Q93 HydrophobicContact CG2-CB 3.99Å; V83-Q93 PolarHBondContact N-O 3.43Å; V83-Q93 PolarHBondContact O-N 3.48Å; Q93-I95 HydrophobicContact CG-CD1 3.66Å; Q93-I95 HydrophobicContact CG-CG1 3.83Å; Q93-W132 HydrophobicContact CG-CD2 4Å; Q93-W132 HydrophobicContact CG-CG 3.84Å
94Q97Very high96.7Very high74 Ų7457.2 Ų57.235%0.34628%0.28SS..EExtended strand (participates in β ladder)trans-141.4128.9169.5176.1173.8-31.300109.3Q80 L81 R82 R91Q80-Q94 VanDerWaalsContact OE1-CG 3.3Å; L81-Q94 WeakPolarHBondContact O-CA 3.47Å; R82-Q94 HydrophobicContact CG-CB 4.19Å; R82-Q94 HydrophobicContact CG-CG 3.95Å; R91-Q94 VanDerWaalsContact NH1-OE1 3.09Å
95I96.7Very high96.7Very high27 Ų2756.7 Ų56.714%0.13828%0.278CS..EExtended strand (participates in β ladder)trans-140.2134.4-176.5-59.2157.3000108.6Q80 L81 Q93 A97 W126 W132Q80-I95 CarbonylContact C-O 3.52Å; Q80-I95 WeakPolarHBondContact CA-O 3.31Å; Q80-I95 VanDerWaalsContact OE1-C 3.29Å; Q80-I95 PolarHBondContact OE1-O 3.06Å; L81-I95 PolarHBondContact N-O 2.95Å; L81-I95 PolarHBondContact O-N 3.07Å; Q93-I95 HydrophobicContact CG-CD1 3.66Å; Q93-I95 HydrophobicContact CG-CG1 3.83Å; I95-A97 PolarHBondContact O-N 3.31Å; I95-W126 HydrophobicContact CG2-CH2 3.9Å; I95-W126 HydrophobicContact CG2-CZ3 3.84Å; I95-W132 HydrophobicContact CD1-CB 3.31Å; I95-W132 HydrophobicContact CD1-CD2 3.92Å; I95-W132 HydrophobicContact CD1-CE3 3.87Å; I95-W132 HydrophobicContact CD1-CG 3.72Å
96E97.3Very high96.8Very high127 Ų12755.7 Ų55.759%0.59327%0.273SS*.EExtended strand (participates in β ladder)trans-71.194.9164.2-168.5176.7150.200108.5
97A96.7Very high96.9Very high0 Ų057 Ų570%028%0.282CS..  trans-84.7-29.7-167.900000112.1M79 L81 I95 I102 R124 W126M79-A97 PolarHBondContact O-N 3.5Å; L81-A97 HydrophobicContact CB-CB 3.67Å; I95-A97 PolarHBondContact O-N 3.31Å; A97-I102 HydrophobicContact CB-CD1 3.99Å; A97-R124 WeakPolarHBondContact O-CD 3.49Å; A97-R124 VanDerWaalsContact O-CZ 3.26Å; A97-R124 PolarHBondContact O-NE 3.35Å; A97-R124 PolarHBondContact O-NH1 3.34Å; A97-W126 HydrophobicContact CB-CH2 4.28Å; A97-W126 HydrophobicContact CB-CZ2 3.57Å; A97-W126 WeakPolarHBondContact O-CZ2 3.43Å
98H98.1Very high97Very high3 Ų353.3 Ų53.31%0.01426%0.262CS..  trans-139.1174.3-178.9-76.1-89000109.9M79 I102 T116 S118 D120M79-H98 WeakPolarHBondContact CB-O 3.39Å; M79-H98 PolarHBondContact O-N 2.81Å; H98-I102 HydrophobicContact CB-CG1 4.36Å; H98-T116 PolarHBondContact CD2-OG1 2.81Å; H98-T116 WeakPolarHBondContact NE2-CB 3.42Å; H98-T116 PolarHBondContact NE2-O 3.11Å; H98-T116 PolarHBondContact NE2-OG1 3.39Å; H98-S118 WeakPolarHBondContact CB-OG 3.32Å; H98-S118 VanDerWaalsContact ND1-CB 3.27Å; H98-S118 WeakPolarHBondContact ND1-CB 3.47Å; H98-D120 WeakPolarHBondContact CB-OD2 3.47Å; H98-D120 IonicContact CE1-OD1 2.79Å; H98-D120 IonicContact CE1-OD2 3.72Å; H98-D120 IonicContact CG-OD2 3.15Å; H98-D120 VanDerWaalsContact ND1-CG 3.3Å; H98-D120 IonicContact ND1-OD1 3.42Å; H98-D120 PolarHBondContact ND1-OD1 3.19Å; H98-D120 VanDerWaalsContact ND1-OD1 3.13Å; H98-D120 IonicContact ND1-OD2 3.72Å; H98-D120 PolarHBondContact ND1-OD2 3.03Å
99S97.2Very high96.8Very high78 Ų7852.3 Ų52.355%0.54526%0.257SS..SBendtrans-99.56.7173.257.30000113.3M79 D120M79-S99 WeakPolarHBondContact CE-O 3.38Å; S99-D120 PolarHBondContact N-OD2 3.12Å; S99-D120 WeakPolarHBondContact OG-CB 3.38Å
100D98.1Very high96.8Very high49 Ų4953.3 Ų53.326%0.26227%0.266SS..SBendtrans-153.7-178-179.2-148.5-28.1000109.9I102 S118 D119 D120D100-I102 PolarHBondContact O-N 3.03Å; D100-S118 VanDerWaalsContact C-OG 3.24Å; D100-S118 PolarHBondContact O-OG 3.4Å; D100-D119 HydrophobicContact CB-CB 3.94Å; D100-D120 HydrophobicContact CB-CB 4.06Å
101Y98.4Very high96.8Very high95 Ų9551.1 Ų51.137%0.37326%0.256SS..  trans-56.3132.1-172.2-59.2-14.6000112.8D77 S118 D119D77-Y101 HydrophobicContact CB-CD1 3.64Å; D77-Y101 HydrophobicContact CB-CE1 3.85Å; D77-Y101 HydrophobicContact CB-CG 4.06Å; D77-Y101 WeakPolarHBondContact O-CD1 3.2Å; D77-Y101 WeakPolarHBondContact O-CE1 3.22Å; Y101-S118 WeakPolarHBondContact O-CA 3.47Å; Y101-S118 WeakPolarHBondContact O-CB 3.4Å; Y101-S118 PolarHBondContact O-OG 2.78Å; Y101-D119 PolarHBondContact O-N 3.16Å; Y101-D119 VanDerWaalsContact O-N 3.08Å
102I98.6Very high96.8Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-84.3120.1176-58.3176.4000108.6R61 Q80 A97 H98 D100 I105R61-I102 WeakPolarHBondContact CB-O 3.49Å; Q80-I102 WeakPolarHBondContact O-CD1 3.23Å; A97-I102 HydrophobicContact CB-CD1 3.99Å; H98-I102 HydrophobicContact CB-CG1 4.36Å; D100-I102 PolarHBondContact O-N 3.03Å; I102-I105 HydrophobicContact CG2-CG1 4.46Å
103R98.3Very high96.8Very high53 Ų5344.1 Ų44.120%0.223%0.23CC..EExtended strand (participates in β ladder)trans-93.1-42.2-174.6-65.9-66.2-177.7161.2-7.5113.6R61 C117 D119 V145 M146R61-R103 VanDerWaalsContact NH1-NH1 3.18Å; R103-C117 PolarHBondContact N-O 3.14Å; R103-D119 VanDerWaalsContact CG-OD1 3.32Å; R103-D119 WeakPolarHBondContact CG-OD1 3.43Å; R103-D119 IonicContact CZ-OD1 2.79Å; R103-D119 IonicContact CZ-OD2 3.95Å; R103-D119 VanDerWaalsContact NE-CG 3.34Å; R103-D119 IonicContact NE-OD1 3.46Å; R103-D119 PolarHBondContact NE-OD1 2.89Å; R103-D119 IonicContact NE-OD2 3.13Å; R103-D119 PolarHBondContact NE-OD2 3.47Å; R103-D119 IonicContact NH2-OD1 3.7Å; R103-D119 PolarHBondContact NH2-OD1 3.41Å; R103-D119 IonicContact NH2-OD2 3.51Å; R103-D119 PolarHBondContact NH2-OD2 2.85Å; R103-V145 VanDerWaalsContact CB-O 3.27Å; R103-V145 WeakPolarHBondContact CB-O 3.44Å; R103-V145 WeakPolarHBondContact CG-O 3.32Å; R103-M146 HydrophobicContact CG-SD 4.32Å
104S98.2Very high96.9Very high7 Ų741 Ų415%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-145.7150.5-175.7-1750000112.2T116 C117 L148S104-T116 WeakPolarHBondContact O-CA 3.43Å; S104-C117 VanDerWaalsContact CB-SG 3.56Å; S104-C117 PolarHBondContact O-N 3.24Å; S104-C117 VanDerWaalsContact O-N 3.14Å; S104-L148 PolarHBondContact OG-N 2.9Å
105I98.5Very high96.9Very high3 Ų337.5 Ų37.52%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-124.8129.2174-64.8173.2000107.7A62 K64 V73 G75 L81 I102 V107 I114 L115 T116A62-I105 HydrophobicContact CB-CB 4.08Å; A62-I105 HydrophobicContact CB-CD1 3.79Å; A62-I105 HydrophobicContact CB-CG1 3.66Å; K64-I105 HydrophobicContact CB-CG2 4.37Å; K64-I105 HydrophobicContact CG-CB 4.24Å; K64-I105 HydrophobicContact CG-CG2 4.14Å; K64-I105 WeakPolarHBondContact CG-O 3.25Å; V73-I105 HydrophobicContact CG1-CD1 4.23Å; G75-I105 VanDerWaalsContact N-CD1 3.29Å; L81-I105 HydrophobicContact CD1-CD1 3.73Å; L81-I105 HydrophobicContact CD1-CG1 4.42Å; I102-I105 HydrophobicContact CG2-CG1 4.46Å; I105-V107 HydrophobicContact CG2-CG2 4.48Å; I105-I114 HydrophobicContact CG2-CG2 3.53Å; I105-L115 WeakPolarHBondContact CA-O 3.37Å; I105-T116 HydrophobicContact CG1-CG2 4.27Å
106A97.6Very high97Very high10 Ų1036.2 Ų36.28%0.08319%0.192CC..EExtended strand (participates in β ladder)trans-120.2126.4170.500000109.7I114 L115 L148 F150A106-I114 WeakPolarHBondContact O-CA 3.38Å; A106-L115 HydrophobicContact CB-CB 4.32Å; A106-L115 PolarHBondContact N-O 2.93Å; A106-L115 PolarHBondContact O-N 3.23Å; A106-L148 HydrophobicContact CB-CB 3.9Å; A106-F150 HydrophobicContact CB-CD2 3.77Å; A106-F150 HydrophobicContact CB-CE2 3.85Å
107V97.2Very high97.1Very high33 Ų3330.2 Ų30.220%0.216%0.164CC..EExtended strand (participates in β ladder)trans-95.9128.7179179.80000108.7K64 V66 I105 W128K64-V107 HydrophobicContact CB-CG2 3.79Å; K64-V107 HydrophobicContact CG-CG2 4.43Å; V66-V107 HydrophobicContact CG1-CG1 4.48Å; V66-V107 HydrophobicContact CG2-CG1 4.04Å; V66-V107 HydrophobicContact CG2-CG2 3.99Å; I105-V107 HydrophobicContact CG2-CG2 4.48Å; V107-W128 HydrophobicContact CG1-CH2 4.23Å; V107-W128 HydrophobicContact CG1-CZ3 4.49Å
108H96.9Very high97.2Very high2 Ų230.2 Ų30.21%0.00916%0.164CC..  trans-67.9136.1177.2-175-80.5000110.3R68 T110 Q111 F113 F150 N155R68-H108 PolarHBondContact NH1-O 2.9Å; R68-H108 PolarHBondContact NH2-O 3.15Å; H108-T110 VanDerWaalsContact C-N 3.33Å; H108-T110 PolarHBondContact CE1-OG1 3.29Å; H108-T110 PolarHBondContact ND1-N 3.19Å; H108-T110 VanDerWaalsContact ND1-N 3.16Å; H108-T110 PolarHBondContact O-N 2.95Å; H108-Q111 PolarHBondContact CE1-N 3.24Å; H108-Q111 VanDerWaalsContact CE1-N 3.32Å; H108-Q111 WeakPolarHBondContact ND1-CB 3.3Å; H108-Q111 PolarHBondContact ND1-N 2.97Å; H108-F113 HydrophobicContact CB-CB 3.83Å; H108-F113 VanDerWaalsContact CB-O 3.27Å; H108-F113 WeakPolarHBondContact CB-O 3.25Å; H108-F113 PolarHBondContact N-O 3.32Å; H108-F150 HydrophobicContact CB-CE1 4.42Å; H108-F150 HydrophobicContact CB-CE2 3.98Å; H108-F150 HydrophobicContact CB-CZ 3.83Å; H108-F150 AromaticContact CD2-CE1 3.68Å; H108-F150 AromaticContact CD2-CZ 3.96Å; H108-N155 PolarHBondContact CD2-O 2.85Å; H108-N155 PolarHBondContact NE2-O 3.22Å; H108-N155 VanDerWaalsContact NE2-O 3.14Å
109P91.4Very high97.2Very high67 Ų6730.3 Ų30.344%0.43517%0.165SC..SBendtrans-66.6-28.9-170.723.9-35.2000114.3R68 N155R68-P109 PolarHBondContact NH1-O 3.46Å; P109-N155 HydrophobicContact CG-CB 4.1Å; P109-N155 VanDerWaalsContact CG-CG 3.46Å; P109-N155 WeakPolarHBondContact CG-ND2 3.28Å
110T91.5Very high97.2Very high96 Ų9627.9 Ų27.959%0.58915%0.145SC*.SBendtrans-123.9-59.3-176.158.60000114H108H108-T110 VanDerWaalsContact C-N 3.33Å; H108-T110 PolarHBondContact CE1-OG1 3.29Å; H108-T110 PolarHBondContact ND1-N 3.19Å; H108-T110 VanDerWaalsContact ND1-N 3.16Å; H108-T110 PolarHBondContact O-N 2.95Å
111Q95.2Very high97.2Very high84 Ų8429.3 Ų29.339%0.39315%0.151SC..SBendtrans-65156.7177.3-63.6175.1-16.400113.5R68 H108 F113R68-Q111 PolarHBondContact NH2-O 2.79Å; H108-Q111 PolarHBondContact CE1-N 3.24Å; H108-Q111 VanDerWaalsContact CE1-N 3.32Å; H108-Q111 WeakPolarHBondContact ND1-CB 3.3Å; H108-Q111 PolarHBondContact ND1-N 2.97Å; Q111-F113 HydrophobicContact CB-CD2 3.72Å; Q111-F113 HydrophobicContact CB-CE2 4Å; Q111-F113 HydrophobicContact CB-CG 4.36Å; Q111-F113 HydrophobicContact CG-CE2 4.49Å; Q111-F113 PolarHBondContact O-N 3.28Å; Q111-F113 VanDerWaalsContact OE1-CD2 3.26Å
112P96.6Very high97.2Very high18 Ų1826.4 Ų26.412%0.11714%0.142CC..SBendtrans-77.445.8-175.336.2-41.3000114.3D127 W128 E129P112-D127 WeakPolarHBondContact O-CA 3.34Å; P112-W128 VanDerWaalsContact C-CD2 3.48Å; P112-W128 HydrophobicContact CB-CD2 3.78Å; P112-W128 VanDerWaalsContact CB-CE2 3.41Å; P112-W128 HydrophobicContact CB-CE3 4.44Å; P112-W128 HydrophobicContact CB-CG 4.09Å; P112-W128 HydrophobicContact CB-CZ2 3.94Å; P112-W128 VanDerWaalsContact CB-NE1 3.3Å; P112-W128 PolarHBondContact O-N 3.42Å; P112-W128 VanDerWaalsContact O-N 3.14Å; P112-E129 HydrophobicContact CB-CB 3.96Å; P112-E129 HydrophobicContact CB-CG 3.54Å; P112-E129 HydrophobicContact CG-CB 3.91Å; P112-E129 HydrophobicContact CG-CG 3.86Å
113F97.1Very high97.2Very high36 Ų3626.5 Ų26.516%0.15814%0.143CC..EExtended strand (participates in β ladder)trans-114.1141.2-172.8-63.3-35.9000114.2H108 Q111 L125 W126 D127 W128 L172H108-F113 HydrophobicContact CB-CB 3.83Å; H108-F113 VanDerWaalsContact CB-O 3.27Å; H108-F113 WeakPolarHBondContact CB-O 3.25Å; H108-F113 PolarHBondContact N-O 3.32Å; Q111-F113 HydrophobicContact CB-CD2 3.72Å; Q111-F113 HydrophobicContact CB-CE2 4Å; Q111-F113 HydrophobicContact CB-CG 4.36Å; Q111-F113 HydrophobicContact CG-CE2 4.49Å; Q111-F113 PolarHBondContact O-N 3.28Å; Q111-F113 VanDerWaalsContact OE1-CD2 3.26Å; F113-L125 HydrophobicContact CB-CD1 3.73Å; F113-L125 HydrophobicContact CD1-CG 4.49Å; F113-L125 HydrophobicContact CD2-CD1 4.48Å; F113-L125 HydrophobicContact CG-CD1 4.04Å; F113-L125 HydrophobicContact CG-CG 4.42Å; F113-W126 VanDerWaalsContact CA-O 3.28Å; F113-W126 WeakPolarHBondContact CA-O 3.34Å; F113-D127 HydrophobicContact CD1-CB 3.92Å; F113-D127 HydrophobicContact CE1-CB 3.74Å; F113-D127 WeakPolarHBondContact CE1-OD2 3.29Å; F113-W128 VanDerWaalsContact C-CZ3 3.44Å; F113-W128 VanDerWaalsContact N-CZ3 3.33Å; F113-W128 WeakPolarHBondContact O-CZ3 3.17Å; F113-L172 HydrophobicContact CD2-CD1 4.3Å
114I97.9Very high97.2Very high0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-123.1133.5168.3-57.5-169.7000108.9V73 I105 A106 T116 L125 W126 W128 W132V73-I114 HydrophobicContact CB-CD1 4.16Å; V73-I114 HydrophobicContact CG1-CD1 3.81Å; V73-I114 HydrophobicContact CG2-CD1 3.67Å; I105-I114 HydrophobicContact CG2-CG2 3.53Å; A106-I114 WeakPolarHBondContact O-CA 3.38Å; I114-T116 HydrophobicContact CG2-CG2 4.26Å; I114-L125 CarbonylContact O-C 3.53Å; I114-L125 WeakPolarHBondContact O-CA 3.48Å; I114-W126 HydrophobicContact CB-CB 4.46Å; I114-W126 PolarHBondContact N-O 3.47Å; I114-W126 PolarHBondContact O-N 2.88Å; I114-W128 HydrophobicContact CD1-CE3 4.03Å; I114-W128 HydrophobicContact CD1-CZ3 3.97Å; I114-W128 HydrophobicContact CG1-CE3 3.62Å; I114-W128 HydrophobicContact CG1-CZ3 3.38Å; I114-W132 HydrophobicContact CD1-CH2 3.79Å; I114-W132 HydrophobicContact CD1-CZ3 3.8Å
115L98.4Very high97.2Very high0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-97.7136.6165.6-71.1168.3000109.8I105 A106 I123 R124 L125 F138 L148 F150 F158 L172I105-L115 WeakPolarHBondContact CA-O 3.37Å; A106-L115 HydrophobicContact CB-CB 4.32Å; A106-L115 PolarHBondContact N-O 2.93Å; A106-L115 PolarHBondContact O-N 3.23Å; L115-I123 HydrophobicContact CD2-CG2 3.99Å; L115-R124 VanDerWaalsContact CA-O 3.31Å; L115-R124 WeakPolarHBondContact CA-O 3.42Å; L115-L125 HydrophobicContact CD2-CB 3.97Å; L115-L125 HydrophobicContact CD2-CD1 3.6Å; L115-L125 HydrophobicContact CD2-CG 4.41Å; L115-L125 HydrophobicContact CG-CD1 3.93Å; L115-F138 HydrophobicContact CD2-CD2 4.4Å; L115-F138 HydrophobicContact CD2-CE2 3.69Å; L115-F138 HydrophobicContact CD2-CZ 4.47Å; L115-L148 HydrophobicContact CB-CD1 3.76Å; L115-F150 HydrophobicContact CD1-CD1 4.47Å; L115-F150 HydrophobicContact CD1-CE1 3.7Å; L115-F150 HydrophobicContact CD1-CE2 3.79Å; L115-F150 HydrophobicContact CD1-CZ 3.3Å; L115-F150 HydrophobicContact CG-CE2 4.2Å; L115-F150 HydrophobicContact CG-CZ 3.73Å; L115-F158 HydrophobicContact CD1-CB 3.98Å; L115-F158 HydrophobicContact CD1-CD1 3.6Å; L115-F158 HydrophobicContact CD1-CD2 3.71Å; L115-F158 HydrophobicContact CD1-CE1 3.91Å; L115-F158 HydrophobicContact CD1-CE2 4.02Å; L115-F158 HydrophobicContact CD1-CG 3.48Å; L115-F158 VanDerWaalsContact CD1-CG 3.48Å; L115-F158 HydrophobicContact CD1-CZ 4.11Å; L115-F158 HydrophobicContact CD2-CE1 4.21Å; L115-F158 HydrophobicContact CD2-CZ 4.16Å; L115-L172 HydrophobicContact CD2-CD2 4.5Å
116T98.6Very high97.2Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-122.4145.6169.758.70000109.2L81 H98 S104 I105 I114 I123 R124 W126L81-T116 HydrophobicContact CD1-CG2 3.93Å; L81-T116 HydrophobicContact CD2-CG2 4.3Å; H98-T116 PolarHBondContact CD2-OG1 2.81Å; H98-T116 WeakPolarHBondContact NE2-CB 3.42Å; H98-T116 PolarHBondContact NE2-O 3.11Å; H98-T116 PolarHBondContact NE2-OG1 3.39Å; S104-T116 WeakPolarHBondContact O-CA 3.43Å; I105-T116 HydrophobicContact CG1-CG2 4.27Å; I114-T116 HydrophobicContact CG2-CG2 4.26Å; T116-I123 CarbonylContact O-C 3.44Å; T116-I123 VanDerWaalsContact O-CA 3.27Å; T116-I123 WeakPolarHBondContact O-CA 3.5Å; T116-I123 WeakPolarHBondContact O-CG2 3.42Å; T116-R124 PolarHBondContact N-O 2.83Å; T116-R124 PolarHBondContact O-N 2.97Å; T116-W126 PolarHBondContact OG1-NE1 2.97Å
117C98.5Very high97.2Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-132.8154.6171.971.90000111.1R103 S104 L122 I123 V145 L148R103-C117 PolarHBondContact N-O 3.14Å; S104-C117 VanDerWaalsContact CB-SG 3.56Å; S104-C117 PolarHBondContact O-N 3.24Å; S104-C117 VanDerWaalsContact O-N 3.14Å; C117-L122 WeakPolarHBondContact CA-O 3.34Å; C117-I123 HydrophobicContact CB-CG1 3.98Å; C117-V145 HydrophobicContact CB-CB 3.79Å; C117-V145 HydrophobicContact CB-CG1 3.54Å; C117-V145 PolarHBondContact SG-O 2.83Å; C117-L148 HydrophobicContact CB-CD1 3.64Å; C117-L148 HydrophobicContact CB-CD2 4.16Å; C117-L148 HydrophobicContact CB-CG 3.82Å
118S98.6Very high97.1Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-147.1171-168.4171.80000113.1H98 D100 Y101 D120 M121 L122 V145H98-S118 WeakPolarHBondContact CB-OG 3.32Å; H98-S118 VanDerWaalsContact ND1-CB 3.27Å; H98-S118 WeakPolarHBondContact ND1-CB 3.47Å; D100-S118 VanDerWaalsContact C-OG 3.24Å; D100-S118 PolarHBondContact O-OG 3.4Å; Y101-S118 WeakPolarHBondContact O-CA 3.47Å; Y101-S118 WeakPolarHBondContact O-CB 3.4Å; Y101-S118 PolarHBondContact O-OG 2.78Å; S118-D120 VanDerWaalsContact CB-OD1 3.29Å; S118-D120 WeakPolarHBondContact CB-OD1 3.49Å; S118-D120 PolarHBondContact O-N 3.07Å; S118-D120 PolarHBondContact OG-N 3.24Å; S118-M121 PolarHBondContact O-N 2.8Å; S118-L122 PolarHBondContact N-O 3.14Å; S118-V145 PolarHBondContact O-N 3.48Å; S118-V145 VanDerWaalsContact O-N 3.13Å
119D98.5Very high97.1Very high6 Ų633.9 Ų33.93%0.03217%0.172CC..THydrogen-bonded Turntrans-67.8-15.1169.7-70.71.6000112.6D100 Y101 R103 M121 Y144D100-D119 HydrophobicContact CB-CB 3.94Å; Y101-D119 PolarHBondContact O-N 3.16Å; Y101-D119 VanDerWaalsContact O-N 3.08Å; R103-D119 VanDerWaalsContact CG-OD1 3.32Å; R103-D119 WeakPolarHBondContact CG-OD1 3.43Å; R103-D119 IonicContact CZ-OD1 2.79Å; R103-D119 IonicContact CZ-OD2 3.95Å; R103-D119 VanDerWaalsContact NE-CG 3.34Å; R103-D119 IonicContact NE-OD1 3.46Å; R103-D119 PolarHBondContact NE-OD1 2.89Å; R103-D119 IonicContact NE-OD2 3.13Å; R103-D119 PolarHBondContact NE-OD2 3.47Å; R103-D119 IonicContact NH2-OD1 3.7Å; R103-D119 PolarHBondContact NH2-OD1 3.41Å; R103-D119 IonicContact NH2-OD2 3.51Å; R103-D119 PolarHBondContact NH2-OD2 2.85Å; D119-M121 PolarHBondContact O-N 3.43Å; D119-Y144 HydrophobicContact CB-CD1 3.53Å; D119-Y144 HydrophobicContact CB-CD2 4.47Å; D119-Y144 HydrophobicContact CB-CE1 3.77Å; D119-Y144 HydrophobicContact CB-CG 3.92Å; D119-Y144 VanDerWaalsContact O-CD1 3.23Å; D119-Y144 WeakPolarHBondContact O-CD1 3.29Å; D119-Y144 WeakPolarHBondContact OD1-CB 3.23Å
120D97.8Very high97.3Very high26 Ų2634.8 Ų34.814%0.13917%0.173CC..THydrogen-bonded Turntrans-68.24.3169.774.30.6000113.9H98 S99 D100 S118 L122H98-D120 WeakPolarHBondContact CB-OD2 3.47Å; H98-D120 IonicContact CE1-OD1 2.79Å; H98-D120 IonicContact CE1-OD2 3.72Å; H98-D120 IonicContact CG-OD2 3.15Å; H98-D120 VanDerWaalsContact ND1-CG 3.3Å; H98-D120 IonicContact ND1-OD1 3.42Å; H98-D120 PolarHBondContact ND1-OD1 3.19Å; H98-D120 VanDerWaalsContact ND1-OD1 3.13Å; H98-D120 IonicContact ND1-OD2 3.72Å; H98-D120 PolarHBondContact ND1-OD2 3.03Å; S99-D120 PolarHBondContact N-OD2 3.12Å; S99-D120 WeakPolarHBondContact OG-CB 3.38Å; D100-D120 HydrophobicContact CB-CB 4.06Å; S118-D120 VanDerWaalsContact CB-OD1 3.29Å; S118-D120 WeakPolarHBondContact CB-OD1 3.49Å; S118-D120 PolarHBondContact O-N 3.07Å; S118-D120 PolarHBondContact OG-N 3.24Å; D120-L122 PolarHBondContact O-N 2.83Å; D120-L122 WeakPolarHBondContact OD1-CA 3.32Å; D120-L122 VanDerWaalsContact OD1-CB 3.24Å; D120-L122 WeakPolarHBondContact OD1-CB 3.41Å; D120-L122 PolarHBondContact OD1-N 3.32Å
121M98.1Very high97.5Very high79 Ų7937 Ų3739%0.38918%0.181SC..SBendtrans69.27.3-180-44.3178.8-172.600114.3S118 D119S118-M121 PolarHBondContact O-N 2.8Å; D119-M121 PolarHBondContact O-N 3.43Å
122L98.2Very high97.6Very high35 Ų3533.9 Ų33.918%0.18317%0.166CC..  trans-104.5156.7-177.1-55.5176.9000111.9C117 S118 D120 V137 E139C117-L122 WeakPolarHBondContact CA-O 3.34Å; S118-L122 PolarHBondContact N-O 3.14Å; D120-L122 PolarHBondContact O-N 2.83Å; D120-L122 WeakPolarHBondContact OD1-CA 3.32Å; D120-L122 VanDerWaalsContact OD1-CB 3.24Å; D120-L122 WeakPolarHBondContact OD1-CB 3.41Å; D120-L122 PolarHBondContact OD1-N 3.32Å; L122-V137 HydrophobicContact CB-CG1 4.38Å; L122-V137 HydrophobicContact CD1-CG1 4.24Å; L122-V137 HydrophobicContact CD2-CG1 4.11Å; L122-V137 HydrophobicContact CG-CG1 4.5Å; L122-E139 HydrophobicContact CD2-CG 3.69Å
123I98.7Very high97.6Very high1 Ų135.7 Ų35.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-120.9133165.4-52.9163.3000106.7L115 T116 C117 V137 F138 V145 L148 F158 S160 W170L115-I123 HydrophobicContact CD2-CG2 3.99Å; T116-I123 CarbonylContact O-C 3.44Å; T116-I123 VanDerWaalsContact O-CA 3.27Å; T116-I123 WeakPolarHBondContact O-CA 3.5Å; T116-I123 WeakPolarHBondContact O-CG2 3.42Å; C117-I123 HydrophobicContact CB-CG1 3.98Å; I123-V137 WeakPolarHBondContact O-CA 3.34Å; I123-F138 HydrophobicContact CB-CB 4.11Å; I123-F138 HydrophobicContact CB-CD2 4.02Å; I123-F138 HydrophobicContact CB-CG 4.5Å; I123-F138 HydrophobicContact CG2-CD2 3.93Å; I123-F138 PolarHBondContact N-O 3.43Å; I123-F138 WeakPolarHBondContact O-CD2 3.48Å; I123-F138 PolarHBondContact O-N 3.13Å; I123-V145 HydrophobicContact CD1-CG1 4.07Å; I123-V145 HydrophobicContact CG1-CG1 3.94Å; I123-V145 HydrophobicContact CG1-CG2 4.35Å; I123-L148 HydrophobicContact CD1-CD2 3.92Å; I123-L148 HydrophobicContact CG1-CD2 4.15Å; I123-L148 HydrophobicContact CG2-CD1 4.2Å; I123-L148 HydrophobicContact CG2-CD2 3.78Å; I123-F158 HydrophobicContact CD1-CE2 4.08Å; I123-F158 HydrophobicContact CG2-CE2 4.07Å; I123-F158 HydrophobicContact CG2-CZ 4.27Å; I123-S160 VanDerWaalsContact CD1-CB 3.47Å; I123-W170 HydrophobicContact CD1-CZ2 4.13Å
124R98.4Very high97.5Very high57 Ų5736.6 Ų36.622%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-121.4139-179.4-68.4179.7-177.9-170.11.8110.9A97 L115 T116 W126 Q136 V137A97-R124 WeakPolarHBondContact O-CD 3.49Å; A97-R124 VanDerWaalsContact O-CZ 3.26Å; A97-R124 PolarHBondContact O-NE 3.35Å; A97-R124 PolarHBondContact O-NH1 3.34Å; L115-R124 VanDerWaalsContact CA-O 3.31Å; L115-R124 WeakPolarHBondContact CA-O 3.42Å; T116-R124 PolarHBondContact N-O 2.83Å; T116-R124 PolarHBondContact O-N 2.97Å; R124-W126 HydrophobicContact CB-CZ2 4.08Å; R124-Q136 WeakPolarHBondContact CA-O 3.37Å; R124-V137 HydrophobicContact CG-CG1 4.49Å; R124-V137 HydrophobicContact CG-CG2 4.34Å
125L98.3Very high97.4Very high7 Ų739.2 Ų39.24%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-103.1122.4174.9-175.870.4000109.7F113 I114 L115 C134 A135 Q136 F138 L172F113-L125 HydrophobicContact CB-CD1 3.73Å; F113-L125 HydrophobicContact CD1-CG 4.49Å; F113-L125 HydrophobicContact CD2-CD1 4.48Å; F113-L125 HydrophobicContact CG-CD1 4.04Å; F113-L125 HydrophobicContact CG-CG 4.42Å; I114-L125 CarbonylContact O-C 3.53Å; I114-L125 WeakPolarHBondContact O-CA 3.48Å; L115-L125 HydrophobicContact CD2-CB 3.97Å; L115-L125 HydrophobicContact CD2-CD1 3.6Å; L115-L125 HydrophobicContact CD2-CG 4.41Å; L115-L125 HydrophobicContact CG-CD1 3.93Å; L125-C134 CarbonylContact O-C 3.54Å; L125-C134 WeakPolarHBondContact O-CA 3.34Å; L125-A135 HydrophobicContact CD2-CB 4.18Å; L125-A135 HydrophobicContact CG-CB 4.37Å; L125-A135 PolarHBondContact O-N 3.14Å; L125-Q136 HydrophobicContact CB-CB 3.97Å; L125-Q136 HydrophobicContact CD2-CB 4.16Å; L125-Q136 PolarHBondContact N-O 3.47Å; L125-F138 HydrophobicContact CB-CE2 4.04Å; L125-L172 HydrophobicContact CD1-CD2 3.75Å; L125-L172 HydrophobicContact CD2-CD2 4.07Å
126W98.2Very high97.4Very high13 Ų1342.1 Ų42.15%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-110.4133.2-179-56.692000110.6L81 I95 A97 F113 I114 T116 R124 W132 C134L81-W126 HydrophobicContact CD2-CG 4.37Å; I95-W126 HydrophobicContact CG2-CH2 3.9Å; I95-W126 HydrophobicContact CG2-CZ3 3.84Å; A97-W126 HydrophobicContact CB-CH2 4.28Å; A97-W126 HydrophobicContact CB-CZ2 3.57Å; A97-W126 WeakPolarHBondContact O-CZ2 3.43Å; F113-W126 VanDerWaalsContact CA-O 3.28Å; F113-W126 WeakPolarHBondContact CA-O 3.34Å; I114-W126 HydrophobicContact CB-CB 4.46Å; I114-W126 PolarHBondContact N-O 3.47Å; I114-W126 PolarHBondContact O-N 2.88Å; T116-W126 PolarHBondContact OG1-NE1 2.97Å; R124-W126 HydrophobicContact CB-CZ2 4.08Å; W126-W132 HydrophobicContact CB-CE3 4.37Å; W126-W132 VanDerWaalsContact CE3-O 3.28Å; W126-C134 HydrophobicContact CE3-CB 4.03Å; W126-C134 HydrophobicContact CH2-CB 4.01Å; W126-C134 HydrophobicContact CZ3-CB 3.73Å
127D97.3Very high97.3Very high28 Ų2844.3 Ų44.315%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-107.2107.1175.3-175.5-18.3000110.6P112 F113 E129 N130 W132 T133P112-D127 WeakPolarHBondContact O-CA 3.34Å; F113-D127 HydrophobicContact CD1-CB 3.92Å; F113-D127 HydrophobicContact CE1-CB 3.74Å; F113-D127 WeakPolarHBondContact CE1-OD2 3.29Å; D127-E129 VanDerWaalsContact C-N 3.34Å; D127-E129 WeakPolarHBondContact OD1-CA 3.47Å; D127-E129 PolarHBondContact OD1-N 3.1Å; D127-N130 HydrophobicContact CB-CB 4.05Å; D127-N130 CarbonylContact O-C 3.54Å; D127-N130 PolarHBondContact O-N 2.86Å; D127-N130 PolarHBondContact OD1-N 3.37Å; D127-W132 WeakPolarHBondContact O-CA 3.48Å; D127-W132 PolarHBondContact O-N 2.93Å; D127-T133 PolarHBondContact N-O 3.48Å; D127-T133 PolarHBondContact O-N 3.3Å
128W96.1Very high97.3Very high17 Ų1744.3 Ų44.36%0.06424%0.236CC..THydrogen-bonded Turntrans-77.8-16.7-178.467.871.3000114V66 R68 W71 V107 P112 F113 I114 W132V66-W128 HydrophobicContact CG1-CH2 4.06Å; V66-W128 HydrophobicContact CG1-CZ2 4.18Å; R68-W128 VanDerWaalsContact NH2-CZ2 3.3Å; W71-W128 HydrophobicContact CH2-CG 4.47Å; W71-W128 HydrophobicContact CZ3-CB 4.26Å; W71-W128 HydrophobicContact CZ3-CD2 4.36Å; W71-W128 AromaticContact CZ3-CG 3.97Å; W71-W128 HydrophobicContact CZ3-CG 3.97Å; V107-W128 HydrophobicContact CG1-CH2 4.23Å; V107-W128 HydrophobicContact CG1-CZ3 4.49Å; P112-W128 VanDerWaalsContact C-CD2 3.48Å; P112-W128 HydrophobicContact CB-CD2 3.78Å; P112-W128 VanDerWaalsContact CB-CE2 3.41Å; P112-W128 HydrophobicContact CB-CE3 4.44Å; P112-W128 HydrophobicContact CB-CG 4.09Å; P112-W128 HydrophobicContact CB-CZ2 3.94Å; P112-W128 VanDerWaalsContact CB-NE1 3.3Å; P112-W128 PolarHBondContact O-N 3.42Å; P112-W128 VanDerWaalsContact O-N 3.14Å; F113-W128 VanDerWaalsContact C-CZ3 3.44Å; F113-W128 VanDerWaalsContact N-CZ3 3.33Å; F113-W128 WeakPolarHBondContact O-CZ3 3.17Å; I114-W128 HydrophobicContact CD1-CE3 4.03Å; I114-W128 HydrophobicContact CD1-CZ3 3.97Å; I114-W128 HydrophobicContact CG1-CE3 3.62Å; I114-W128 HydrophobicContact CG1-CZ3 3.38Å; W128-W132 HydrophobicContact CB-CD2 3.85Å; W128-W132 VanDerWaalsContact CB-CE2 3.48Å; W128-W132 HydrophobicContact CB-CE3 4.27Å; W128-W132 HydrophobicContact CB-CG 4.4Å; W128-W132 HydrophobicContact CB-CH2 3.94Å; W128-W132 HydrophobicContact CB-CZ2 3.51Å; W128-W132 HydrophobicContact CB-CZ3 4.32Å; W128-W132 HydrophobicContact CG-CZ2 4.45Å
129E96.2Very high97.2Very high141 Ų14150.5 Ų50.566%0.65926%0.264SS*.THydrogen-bonded Turntrans-80.6-28172.5-78.5-179.3-173.900111P112 D127 N131P112-E129 HydrophobicContact CB-CB 3.96Å; P112-E129 HydrophobicContact CB-CG 3.54Å; P112-E129 HydrophobicContact CG-CB 3.91Å; P112-E129 HydrophobicContact CG-CG 3.86Å; D127-E129 VanDerWaalsContact C-N 3.34Å; D127-E129 WeakPolarHBondContact OD1-CA 3.47Å; D127-E129 PolarHBondContact OD1-N 3.1Å; E129-N131 PolarHBondContact O-N 3.35Å
130N96.2Very high97Very high86 Ų8651.8 Ų51.846%0.4628%0.28SS..THydrogen-bonded Turntrans-95.753.1171.1-165.439.5000112.1D127 W132 T133D127-N130 HydrophobicContact CB-CB 4.05Å; D127-N130 CarbonylContact O-C 3.54Å; D127-N130 PolarHBondContact O-N 2.86Å; D127-N130 PolarHBondContact OD1-N 3.37Å; N130-W132 PolarHBondContact O-N 3.23Å; N130-W132 VanDerWaalsContact O-N 3.11Å; N130-T133 PolarHBondContact ND2-OG1 3.34Å; N130-T133 WeakPolarHBondContact O-CG2 3.37Å; N130-T133 PolarHBondContact O-N 3.4Å; N130-T133 PolarHBondContact O-OG1 2.9Å
131N95.1Very high97Very high142 Ų14251 Ų5176%0.75928%0.275SS*.THydrogen-bonded Turntrans5137.3175.4-63.5-40.6000114.8E129 T133E129-N131 PolarHBondContact O-N 3.35Å; N131-T133 VanDerWaalsContact C-N 3.25Å; N131-T133 PolarHBondContact O-N 3.42Å
132W96.1Very high97Very high20 Ų2053.5 Ų53.58%0.07629%0.29CS..THydrogen-bonded Turntrans56.735.3-178.5-6286.1000114.2W71 L81 V83 Q93 I95 I114 W126 D127 W128 N130W71-W132 HydrophobicContact CE3-CZ2 4.32Å; W71-W132 HydrophobicContact CH2-CZ2 4.46Å; W71-W132 HydrophobicContact CZ3-CH2 4.46Å; W71-W132 AromaticContact CZ3-CZ2 3.78Å; W71-W132 HydrophobicContact CZ3-CZ2 3.78Å; L81-W132 HydrophobicContact CD2-CE3 4.19Å; L81-W132 HydrophobicContact CD2-CZ3 3.92Å; V83-W132 HydrophobicContact CB-CH2 4.42Å; V83-W132 HydrophobicContact CB-CZ2 4.3Å; V83-W132 HydrophobicContact CG1-CH2 4.37Å; V83-W132 HydrophobicContact CG1-CZ2 4.18Å; V83-W132 HydrophobicContact CG2-CH2 3.3Å; V83-W132 HydrophobicContact CG2-CZ2 3.5Å; V83-W132 HydrophobicContact CG2-CZ3 3.94Å; Q93-W132 HydrophobicContact CG-CD2 4Å; Q93-W132 HydrophobicContact CG-CG 3.84Å; I95-W132 HydrophobicContact CD1-CB 3.31Å; I95-W132 HydrophobicContact CD1-CD2 3.92Å; I95-W132 HydrophobicContact CD1-CE3 3.87Å; I95-W132 HydrophobicContact CD1-CG 3.72Å; I114-W132 HydrophobicContact CD1-CH2 3.79Å; I114-W132 HydrophobicContact CD1-CZ3 3.8Å; W126-W132 HydrophobicContact CB-CE3 4.37Å; W126-W132 VanDerWaalsContact CE3-O 3.28Å; D127-W132 WeakPolarHBondContact O-CA 3.48Å; D127-W132 PolarHBondContact O-N 2.93Å; W128-W132 HydrophobicContact CB-CD2 3.85Å; W128-W132 VanDerWaalsContact CB-CE2 3.48Å; W128-W132 HydrophobicContact CB-CE3 4.27Å; W128-W132 HydrophobicContact CB-CG 4.4Å; W128-W132 HydrophobicContact CB-CH2 3.94Å; W128-W132 HydrophobicContact CB-CZ2 3.51Å; W128-W132 HydrophobicContact CB-CZ3 4.32Å; W128-W132 HydrophobicContact CG-CZ2 4.45Å; N130-W132 PolarHBondContact O-N 3.23Å; N130-W132 VanDerWaalsContact O-N 3.11Å
133T97Very high97Very high56 Ų5655.2 Ų55.234%0.34430%0.297SS..EExtended strand (participates in β ladder)trans-66.114117254.80000111.3D127 N130 N131 A135D127-T133 PolarHBondContact N-O 3.48Å; D127-T133 PolarHBondContact O-N 3.3Å; N130-T133 PolarHBondContact ND2-OG1 3.34Å; N130-T133 WeakPolarHBondContact O-CG2 3.37Å; N130-T133 PolarHBondContact O-N 3.4Å; N130-T133 PolarHBondContact O-OG1 2.9Å; N131-T133 VanDerWaalsContact C-N 3.25Å; N131-T133 PolarHBondContact O-N 3.42Å; T133-A135 PolarHBondContact O-N 3.41Å
134C96.5Very high96.9Very high55 Ų5559.1 Ų59.137%0.37231%0.312SS..EExtended strand (participates in β ladder)trans-71.695.9167.1-177.70000109.1L125 W126L125-C134 CarbonylContact O-C 3.54Å; L125-C134 WeakPolarHBondContact O-CA 3.34Å; W126-C134 HydrophobicContact CE3-CB 4.03Å; W126-C134 HydrophobicContact CH2-CB 4.01Å; W126-C134 HydrophobicContact CZ3-CB 3.73Å
135A95.6Very high97Very high55 Ų5556.4 Ų56.446%0.45530%0.302SS..EExtended strand (participates in β ladder)trans-72-29.2-175.500000113.2L125 T133L125-A135 HydrophobicContact CD2-CB 4.18Å; L125-A135 HydrophobicContact CG-CB 4.37Å; L125-A135 PolarHBondContact O-N 3.14Å; T133-A135 PolarHBondContact O-N 3.41Å
136Q96.5Very high97Very high61 Ų6157.7 Ų57.729%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-154.7147.1179.8-173.464-80.500111.3R124 L125 F138R124-Q136 WeakPolarHBondContact CA-O 3.37Å; L125-Q136 HydrophobicContact CB-CB 3.97Å; L125-Q136 HydrophobicContact CD2-CB 4.16Å; L125-Q136 PolarHBondContact N-O 3.47Å; Q136-F138 HydrophobicContact CB-CE2 4.14Å; Q136-F138 HydrophobicContact CB-CZ 4.02Å; Q136-F138 HydrophobicContact CG-CD1 4.19Å; Q136-F138 HydrophobicContact CG-CD2 4.34Å; Q136-F138 HydrophobicContact CG-CE1 3.72Å; Q136-F138 HydrophobicContact CG-CE2 3.9Å; Q136-F138 HydrophobicContact CG-CG 4.47Å; Q136-F138 HydrophobicContact CG-CZ 3.55Å
137V97.6Very high97Very high45 Ų4559.7 Ų59.727%0.27332%0.318SS..EExtended strand (participates in β ladder)trans-116.6130.2167.4-173.80000107.9L122 I123 R124 E139L122-V137 HydrophobicContact CB-CG1 4.38Å; L122-V137 HydrophobicContact CD1-CG1 4.24Å; L122-V137 HydrophobicContact CD2-CG1 4.11Å; L122-V137 HydrophobicContact CG-CG1 4.5Å; I123-V137 WeakPolarHBondContact O-CA 3.34Å; R124-V137 HydrophobicContact CG-CG1 4.49Å; R124-V137 HydrophobicContact CG-CG2 4.34Å; V137-E139 HydrophobicContact CG1-CG 4.1Å
138F98.3Very high97Very high1 Ų158.6 Ų58.60%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-106.4118.4176.4-49.7-93.4000109.3L115 I123 L125 Q136 F158 W170 S171 L172 S174L115-F138 HydrophobicContact CD2-CD2 4.4Å; L115-F138 HydrophobicContact CD2-CE2 3.69Å; L115-F138 HydrophobicContact CD2-CZ 4.47Å; I123-F138 HydrophobicContact CB-CB 4.11Å; I123-F138 HydrophobicContact CB-CD2 4.02Å; I123-F138 HydrophobicContact CB-CG 4.5Å; I123-F138 HydrophobicContact CG2-CD2 3.93Å; I123-F138 PolarHBondContact N-O 3.43Å; I123-F138 WeakPolarHBondContact O-CD2 3.48Å; I123-F138 PolarHBondContact O-N 3.13Å; L125-F138 HydrophobicContact CB-CE2 4.04Å; Q136-F138 HydrophobicContact CB-CE2 4.14Å; Q136-F138 HydrophobicContact CB-CZ 4.02Å; Q136-F138 HydrophobicContact CG-CD1 4.19Å; Q136-F138 HydrophobicContact CG-CD2 4.34Å; Q136-F138 HydrophobicContact CG-CE1 3.72Å; Q136-F138 HydrophobicContact CG-CE2 3.9Å; Q136-F138 HydrophobicContact CG-CG 4.47Å; Q136-F138 HydrophobicContact CG-CZ 3.55Å; F138-F158 HydrophobicContact CD1-CE1 4.29Å; F138-F158 AromaticContact CD1-CZ 3.96Å; F138-F158 HydrophobicContact CD1-CZ 3.96Å; F138-F158 HydrophobicContact CD2-CE1 4.4Å; F138-F158 AromaticContact CD2-CZ 3.77Å; F138-F158 HydrophobicContact CD2-CZ 3.77Å; F138-F158 AromaticContact CE1-CE1 3.8Å; F138-F158 HydrophobicContact CE1-CE1 3.8Å; F138-F158 AromaticContact CE1-CZ 3.93Å; F138-F158 HydrophobicContact CE1-CZ 3.93Å; F138-F158 AromaticContact CE2-CE1 3.92Å; F138-F158 HydrophobicContact CE2-CE1 3.92Å; F138-F158 AromaticContact CE2-CZ 3.73Å; F138-F158 HydrophobicContact CE2-CZ 3.73Å; F138-F158 AromaticContact CG-CZ 3.9Å; F138-F158 HydrophobicContact CG-CZ 3.9Å; F138-F158 AromaticContact CZ-CE1 3.61Å; F138-F158 HydrophobicContact CZ-CE1 3.61Å; F138-F158 AromaticContact CZ-CZ 3.82Å; F138-F158 HydrophobicContact CZ-CZ 3.82Å; F138-W170 HydrophobicContact CB-CD2 4.27Å; F138-W170 HydrophobicContact CB-CE3 3.75Å; F138-W170 HydrophobicContact CB-CH2 4.17Å; F138-W170 HydrophobicContact CB-CZ3 3.69Å; F138-W170 HydrophobicContact CD1-CB 4.44Å; F138-W170 HydrophobicContact CD1-CD2 4.35Å; F138-W170 AromaticContact CD1-CE3 3.82Å; F138-W170 HydrophobicContact CD1-CE3 3.82Å; F138-W170 HydrophobicContact CD1-CZ3 4.48Å; F138-W170 HydrophobicContact CG-CE3 4.18Å; F138-S171 WeakPolarHBondContact CE1-O 3.47Å; F138-L172 HydrophobicContact CZ-CD2 4.41Å; F138-S174 VanDerWaalsContact CD1-O 3.23Å; F138-S174 WeakPolarHBondContact CD1-O 3.49Å; F138-S174 VanDerWaalsContact CE1-O 3.24Å; F138-S174 WeakPolarHBondContact CE1-O 3.45Å
139E96.4Very high97.1Very high129 Ų12958.2 Ų58.260%0.60331%0.313SS*.  trans-114.6139.2-176.7-60.5-175.4179.100109.6L122 V137L122-E139 HydrophobicContact CD2-CG 3.69Å; V137-E139 HydrophobicContact CG1-CG 4.1Å
140G94.9Very high97Very high34 Ų3452.8 Ų52.835%0.35129%0.287SS..  trans148.3-4.917300000116.3K168G140-K168 WeakPolarHBondContact O-CE 3.42Å; G140-K168 PolarHBondContact O-NZ 3.47Å
141H97.9Very high96.9Very high10 Ų1049.1 Ų49.15%0.04627%0.267CS..  trans-79.7149.5162.7-82.7-61.6000110.4V145 S160 S162 D164 T166 K168H141-V145 HydrophobicContact CB-CG2 3.87Å; H141-S160 PolarHBondContact CD2-OG 3.12Å; H141-S160 PolarHBondContact NE2-OG 2.98Å; H141-S162 WeakPolarHBondContact CE1-CB 3.08Å; H141-S162 WeakPolarHBondContact ND1-CB 3.43Å; H141-D164 WeakPolarHBondContact CA-OD2 3.43Å; H141-D164 IonicContact CE1-OD1 3.81Å; H141-D164 IonicContact CE1-OD2 3.87Å; H141-D164 IonicContact CG-OD2 3.55Å; H141-D164 IonicContact ND1-OD1 3.33Å; H141-D164 PolarHBondContact ND1-OD1 3.44Å; H141-D164 IonicContact ND1-OD2 2.78Å; H141-D164 PolarHBondContact ND1-OD2 2.85Å; H141-T166 PolarHBondContact CE1-OG1 3.47Å; H141-T166 PolarHBondContact ND1-OG1 3.23Å; H141-K168 VanDerWaalsContact CE1-CD 3.46Å; H141-K168 WeakPolarHBondContact CE1-CD 3.35Å; H141-K168 VanDerWaalsContact ND1-CE 3.34Å; H141-K168 WeakPolarHBondContact ND1-CE 3.42Å
142N97.2Very high96.7Very high130 Ų13045.3 Ų45.370%0.69525%0.25SC*.SBendtrans-109.28-178.9-62.2-42.6000113D164N142-D164 HydrophobicContact CB-CB 4.28Å; N142-D164 PolarHBondContact N-OD2 2.94Å
143H98Very high96.3Very high72 Ų7248.4 Ų48.433%0.33326%0.264SS..SBendtrans-154.6173.7176.6-149.3-63.6000109V145 S162 L163 D164H143-V145 PolarHBondContact O-N 3.37Å; H143-S162 PolarHBondContact O-OG 3.17Å; H143-L163 HydrophobicContact CB-CB 4.07Å; H143-D164 HydrophobicContact CB-CB 3.95Å
144Y98.3Very high96Very high82 Ų8249.4 Ų49.432%0.32227%0.267SS..  trans-37.9128.9173.9-53.5-14.3000112.9D119 S162 L163D119-Y144 HydrophobicContact CB-CD1 3.53Å; D119-Y144 HydrophobicContact CB-CD2 4.47Å; D119-Y144 HydrophobicContact CB-CE1 3.77Å; D119-Y144 HydrophobicContact CB-CG 3.92Å; D119-Y144 VanDerWaalsContact O-CD1 3.23Å; D119-Y144 WeakPolarHBondContact O-CD1 3.29Å; D119-Y144 WeakPolarHBondContact OD1-CB 3.23Å; Y144-S162 VanDerWaalsContact O-CA 3.26Å; Y144-S162 WeakPolarHBondContact O-CA 3.16Å; Y144-S162 WeakPolarHBondContact O-CB 3.39Å; Y144-S162 PolarHBondContact O-OG 3.03Å; Y144-L163 HydrophobicContact CD2-CD1 3.7Å; Y144-L163 HydrophobicContact CG-CD1 4.28Å; Y144-L163 PolarHBondContact O-N 3.13Å
145V98.6Very high95.6Very high0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-95.1110.5176.9-173.90000107.7R103 C117 S118 I123 H141 H143 A161R103-V145 VanDerWaalsContact CB-O 3.27Å; R103-V145 WeakPolarHBondContact CB-O 3.44Å; R103-V145 WeakPolarHBondContact CG-O 3.32Å; C117-V145 HydrophobicContact CB-CB 3.79Å; C117-V145 HydrophobicContact CB-CG1 3.54Å; C117-V145 PolarHBondContact SG-O 2.83Å; S118-V145 PolarHBondContact O-N 3.48Å; S118-V145 VanDerWaalsContact O-N 3.13Å; I123-V145 HydrophobicContact CD1-CG1 4.07Å; I123-V145 HydrophobicContact CG1-CG1 3.94Å; I123-V145 HydrophobicContact CG1-CG2 4.35Å; H141-V145 HydrophobicContact CB-CG2 3.87Å; H143-V145 PolarHBondContact O-N 3.37Å; V145-A161 CarbonylContact C-O 3.59Å
146M98.4Very high95.6Very high34 Ų3450.2 Ų50.217%0.16726%0.26CS..EExtended strand (participates in β ladder)trans-87.9-34.4-165.9-62.6-60.1-72.500113.4R103 A161 L163 N189R103-M146 HydrophobicContact CG-SD 4.32Å; M146-A161 PolarHBondContact N-O 3.18Å; M146-L163 HydrophobicContact CE-CD2 4.48Å; M146-L163 HydrophobicContact CG-CD1 4.48Å; M146-L163 HydrophobicContact CG-CD2 3.71Å; M146-L163 HydrophobicContact CG-CG 3.68Å; M146-L163 HydrophobicContact SD-CD1 4Å; M146-L163 HydrophobicContact SD-CD2 4.17Å; M146-L163 HydrophobicContact SD-CG 3.85Å; M146-N189 VanDerWaalsContact CB-O 3.29Å; M146-N189 WeakPolarHBondContact CB-O 3.2Å
147H98.5Very high95.6Very high55 Ų5547.9 Ų47.926%0.25525%0.25SS..EExtended strand (participates in β ladder)trans-151153-174.5-161.5-99.2000113S160 A161 N189 V191H147-S160 VanDerWaalsContact O-CA 3.3Å; H147-S160 WeakPolarHBondContact O-CA 3.45Å; H147-A161 HydrophobicContact CB-CB 4.3Å; H147-A161 PolarHBondContact N-O 3.12Å; H147-A161 PolarHBondContact O-N 3.09Å; H147-N189 WeakPolarHBondContact CB-O 3.29Å; H147-V191 PolarHBondContact CE1-O 3.47Å; H147-V191 PolarHBondContact ND1-O 3.4Å; H147-V191 VanDerWaalsContact ND1-O 3.11Å
148L98.2Very high95.6Very high6 Ų645.8 Ų45.83%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-129.5138.8177.7-67.3166.8000110.4S104 A106 L115 C117 I123 F158 A159S104-L148 PolarHBondContact OG-N 2.9Å; A106-L148 HydrophobicContact CB-CB 3.9Å; L115-L148 HydrophobicContact CB-CD1 3.76Å; C117-L148 HydrophobicContact CB-CD1 3.64Å; C117-L148 HydrophobicContact CB-CD2 4.16Å; C117-L148 HydrophobicContact CB-CG 3.82Å; I123-L148 HydrophobicContact CD1-CD2 3.92Å; I123-L148 HydrophobicContact CG1-CD2 4.15Å; I123-L148 HydrophobicContact CG2-CD1 4.2Å; I123-L148 HydrophobicContact CG2-CD2 3.78Å; L148-F158 HydrophobicContact CD2-CD2 4.07Å; L148-F158 HydrophobicContact CD2-CE2 4.03Å; L148-A159 WeakPolarHBondContact CA-O 3.49Å
149A96.8Very high95.6Very high9 Ų945.7 Ų45.77%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-139.3124.6172.100000110.8F158 A159 V191 Y193A149-F158 CarbonylContact O-C 3.58Å; A149-F158 VanDerWaalsContact O-CA 3.25Å; A149-F158 WeakPolarHBondContact O-CA 3.41Å; A149-F158 WeakPolarHBondContact O-CB 3.37Å; A149-A159 PolarHBondContact N-O 3.03Å; A149-A159 PolarHBondContact O-N 3.36Å; A149-V191 HydrophobicContact CB-CG1 4.43Å; A149-Y193 HydrophobicContact CB-CD2 4.17Å; A149-Y193 WeakPolarHBondContact O-CE2 3.49Å
150F96Very high95.7Very high27 Ų2739.6 Ų39.612%0.11821%0.208CC..EExtended strand (participates in β ladder)trans-69144.2168.5-84.2-72.4000110.4A106 H108 L115 P152 F158 L172 Y193A106-F150 HydrophobicContact CB-CD2 3.77Å; A106-F150 HydrophobicContact CB-CE2 3.85Å; H108-F150 HydrophobicContact CB-CE1 4.42Å; H108-F150 HydrophobicContact CB-CE2 3.98Å; H108-F150 HydrophobicContact CB-CZ 3.83Å; H108-F150 AromaticContact CD2-CE1 3.68Å; H108-F150 AromaticContact CD2-CZ 3.96Å; L115-F150 HydrophobicContact CD1-CD1 4.47Å; L115-F150 HydrophobicContact CD1-CE1 3.7Å; L115-F150 HydrophobicContact CD1-CE2 3.79Å; L115-F150 HydrophobicContact CD1-CZ 3.3Å; L115-F150 HydrophobicContact CG-CE2 4.2Å; L115-F150 HydrophobicContact CG-CZ 3.73Å; F150-P152 VanDerWaalsContact O-CD 3.32Å; F150-P152 WeakPolarHBondContact O-CD 3.42Å; F150-F158 HydrophobicContact CD1-CB 3.93Å; F150-F158 HydrophobicContact CE1-CB 4.27Å; F150-F158 HydrophobicContact CG-CB 4.45Å; F150-L172 HydrophobicContact CE1-CD1 4.36Å; F150-L172 HydrophobicContact CE1-CD2 4.07Å; F150-L172 HydrophobicContact CZ-CD2 4.5Å; F150-Y193 WeakPolarHBondContact O-CD2 3.39Å
151N94.1Very high95.9Very high8 Ų838 Ų384%0.04319%0.192CC..  trans-76.4116.1173179.2-5.4000109.6K153 D154 N155 T157 Y193N151-K153 PolarHBondContact O-N 2.92Å; N151-K153 PolarHBondContact OD1-N 3.03Å; N151-D154 WeakPolarHBondContact CB-O 3.44Å; N151-D154 CarbonylContact O-C 2.99Å; N151-D154 PolarHBondContact O-N 3.5Å; N151-D154 PolarHBondContact OD1-N 3.38Å; N151-N155 PolarHBondContact O-N 3.02Å; N151-N155 PolarHBondContact O-OD1 2.64Å; N151-T157 WeakPolarHBondContact CB-O 3.37Å; N151-T157 WeakPolarHBondContact CB-OG1 3.33Å; N151-T157 PolarHBondContact N-O 2.87Å; N151-T157 PolarHBondContact ND2-OG1 3.06Å; N151-T157 VanDerWaalsContact ND2-OG1 3.07Å; N151-Y193 HydrophobicContact CB-CD1 4.17Å; N151-Y193 HydrophobicContact CB-CD2 4.14Å; N151-Y193 HydrophobicContact CB-CE1 3.89Å; N151-Y193 HydrophobicContact CB-CE2 3.85Å; N151-Y193 HydrophobicContact CB-CG 4.29Å
152P89.6Confident95.9Very high62 Ų6237.5 Ų37.540%0.40319%0.19SC..THydrogen-bonded Turntrans-70.1-14.8-176.729.9-36.2000113.4F150 T195F150-P152 VanDerWaalsContact O-CD 3.32Å; F150-P152 WeakPolarHBondContact O-CD 3.42Å; P152-T195 HydrophobicContact CB-CG2 4.17Å; P152-T195 HydrophobicContact CG-CG2 3.82Å
153K88.3Confident96Very high86 Ų8633 Ų3337%0.37417%0.165SC..THydrogen-bonded Turntrans-94.1-23.6178.4-56.7-175.3-172.7-176.20112.5N151 S194 G197 K199N151-K153 PolarHBondContact O-N 2.92Å; N151-K153 PolarHBondContact OD1-N 3.03Å; K153-S194 WeakPolarHBondContact CE-O 3.35Å; K153-G197 PolarHBondContact NZ-O 2.91Å; K153-K199 PolarHBondContact NZ-O 2.8Å
154D90.6Very high96Very high76 Ų7630.9 Ų30.941%0.40616%0.157SC..  trans-144.693177.11789000109.5N151 N156 T157N151-D154 WeakPolarHBondContact CB-O 3.44Å; N151-D154 CarbonylContact O-C 2.99Å; N151-D154 PolarHBondContact O-N 3.5Å; N151-D154 PolarHBondContact OD1-N 3.38Å; D154-N156 PolarHBondContact O-N 3.45Å; D154-N156 WeakPolarHBondContact OD1-CB 3.41Å; D154-N156 PolarHBondContact OD1-N 2.95Å; D154-N156 VanDerWaalsContact OD1-N 3.14Å; D154-T157 PolarHBondContact O-N 2.81Å; D154-T157 PolarHBondContact O-OG1 3.24Å; D154-T157 WeakPolarHBondContact OD2-CG2 3.49Å
155N89Confident96Very high49 Ų4930.9 Ų30.926%0.26216%0.159SC..THydrogen-bonded Turntrans-62.6-11.5-175-59.8-15.4000113.5H108 P109 N151 T157H108-N155 PolarHBondContact CD2-O 2.85Å; H108-N155 PolarHBondContact NE2-O 3.22Å; H108-N155 VanDerWaalsContact NE2-O 3.14Å; P109-N155 HydrophobicContact CG-CB 4.1Å; P109-N155 VanDerWaalsContact CG-CG 3.46Å; P109-N155 WeakPolarHBondContact CG-ND2 3.28Å; N151-N155 PolarHBondContact O-N 3.02Å; N151-N155 PolarHBondContact O-OD1 2.64Å; N155-T157 PolarHBondContact O-N 2.97Å
156N94.9Very high96Very high78 Ų7831.4 Ų31.442%0.41716%0.163SC..THydrogen-bonded Turntrans-80-6.6174.5-167.952.9000113.2D154 S171 L172D154-N156 PolarHBondContact O-N 3.45Å; D154-N156 WeakPolarHBondContact OD1-CB 3.41Å; D154-N156 PolarHBondContact OD1-N 2.95Å; D154-N156 VanDerWaalsContact OD1-N 3.14Å; N156-S171 CarbonylContact O-C 3.35Å; N156-S171 WeakPolarHBondContact O-CA 3.45Å; N156-L172 PolarHBondContact O-N 3.44Å
157T96.3Very high96Very high13 Ų1329.9 Ų29.98%0.0816%0.155CC..EExtended strand (participates in β ladder)trans-120.4151-178.762.20000112.2N151 D154 N155 W170N151-T157 WeakPolarHBondContact CB-O 3.37Å; N151-T157 WeakPolarHBondContact CB-OG1 3.33Å; N151-T157 PolarHBondContact N-O 2.87Å; N151-T157 PolarHBondContact ND2-OG1 3.06Å; N151-T157 VanDerWaalsContact ND2-OG1 3.07Å; D154-T157 PolarHBondContact O-N 2.81Å; D154-T157 PolarHBondContact O-OG1 3.24Å; D154-T157 WeakPolarHBondContact OD2-CG2 3.49Å; N155-T157 PolarHBondContact O-N 2.97Å; T157-W170 WeakPolarHBondContact CA-O 3.4Å; T157-W170 WeakPolarHBondContact CB-O 3.34Å
158F98Very high96Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-146.2161.5175.869.4-88000110.6L115 I123 F138 L148 A149 F150 V169 W170 L172L115-F158 HydrophobicContact CD1-CB 3.98Å; L115-F158 HydrophobicContact CD1-CD1 3.6Å; L115-F158 HydrophobicContact CD1-CD2 3.71Å; L115-F158 HydrophobicContact CD1-CE1 3.91Å; L115-F158 HydrophobicContact CD1-CE2 4.02Å; L115-F158 HydrophobicContact CD1-CG 3.48Å; L115-F158 VanDerWaalsContact CD1-CG 3.48Å; L115-F158 HydrophobicContact CD1-CZ 4.11Å; L115-F158 HydrophobicContact CD2-CE1 4.21Å; L115-F158 HydrophobicContact CD2-CZ 4.16Å; I123-F158 HydrophobicContact CD1-CE2 4.08Å; I123-F158 HydrophobicContact CG2-CE2 4.07Å; I123-F158 HydrophobicContact CG2-CZ 4.27Å; F138-F158 HydrophobicContact CD1-CE1 4.29Å; F138-F158 AromaticContact CD1-CZ 3.96Å; F138-F158 HydrophobicContact CD1-CZ 3.96Å; F138-F158 HydrophobicContact CD2-CE1 4.4Å; F138-F158 AromaticContact CD2-CZ 3.77Å; F138-F158 HydrophobicContact CD2-CZ 3.77Å; F138-F158 AromaticContact CE1-CE1 3.8Å; F138-F158 HydrophobicContact CE1-CE1 3.8Å; F138-F158 AromaticContact CE1-CZ 3.93Å; F138-F158 HydrophobicContact CE1-CZ 3.93Å; F138-F158 AromaticContact CE2-CE1 3.92Å; F138-F158 HydrophobicContact CE2-CE1 3.92Å; F138-F158 AromaticContact CE2-CZ 3.73Å; F138-F158 HydrophobicContact CE2-CZ 3.73Å; F138-F158 AromaticContact CG-CZ 3.9Å; F138-F158 HydrophobicContact CG-CZ 3.9Å; F138-F158 AromaticContact CZ-CE1 3.61Å; F138-F158 HydrophobicContact CZ-CE1 3.61Å; F138-F158 AromaticContact CZ-CZ 3.82Å; F138-F158 HydrophobicContact CZ-CZ 3.82Å; L148-F158 HydrophobicContact CD2-CD2 4.07Å; L148-F158 HydrophobicContact CD2-CE2 4.03Å; A149-F158 CarbonylContact O-C 3.58Å; A149-F158 VanDerWaalsContact O-CA 3.25Å; A149-F158 WeakPolarHBondContact O-CA 3.41Å; A149-F158 WeakPolarHBondContact O-CB 3.37Å; F150-F158 HydrophobicContact CD1-CB 3.93Å; F150-F158 HydrophobicContact CE1-CB 4.27Å; F150-F158 HydrophobicContact CG-CB 4.45Å; F158-V169 CarbonylContact O-C 3.44Å; F158-V169 WeakPolarHBondContact O-CA 3.44Å; F158-W170 HydrophobicContact CD1-CB 3.92Å; F158-W170 HydrophobicContact CD2-CB 4.29Å; F158-W170 AromaticContact CD2-CD1 3.76Å; F158-W170 HydrophobicContact CD2-CG 4.29Å; F158-W170 HydrophobicContact CE1-CB 3.43Å; F158-W170 VanDerWaalsContact CE1-CB 3.43Å; F158-W170 HydrophobicContact CE1-CG 4.12Å; F158-W170 HydrophobicContact CE2-CB 3.83Å; F158-W170 AromaticContact CE2-CD1 3.3Å; F158-W170 HydrophobicContact CE2-CD2 4.46Å; F158-W170 AromaticContact CE2-CG 3.62Å; F158-W170 HydrophobicContact CE2-CG 3.62Å; F158-W170 AromaticContact CE2-NE1 4Å; F158-W170 HydrophobicContact CG-CB 4.33Å; F158-W170 HydrophobicContact CZ-CB 3.37Å; F158-W170 AromaticContact CZ-CD1 3.73Å; F158-W170 HydrophobicContact CZ-CD2 4.29Å; F158-W170 AromaticContact CZ-CG 3.53Å; F158-W170 HydrophobicContact CZ-CG 3.53Å; F158-W170 PolarHBondContact N-O 3.35Å; F158-W170 VanDerWaalsContact N-O 3.15Å; F158-W170 PolarHBondContact O-N 3.27Å; F158-L172 HydrophobicContact CD1-CD2 4.02Å; F158-L172 HydrophobicContact CE1-CD2 4.05Å
159A98.2Very high96Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-113.7149174.200000110.6L148 A149 V167 K168 V169 V191 Y193 L202L148-A159 WeakPolarHBondContact CA-O 3.49Å; A149-A159 PolarHBondContact N-O 3.03Å; A149-A159 PolarHBondContact O-N 3.36Å; A159-V167 HydrophobicContact CB-CG1 4.28Å; A159-K168 CarbonylContact C-O 3.58Å; A159-K168 VanDerWaalsContact CA-O 3.27Å; A159-K168 WeakPolarHBondContact CA-O 3.49Å; A159-V169 HydrophobicContact CB-CG2 4.22Å; A159-V191 HydrophobicContact CB-CG1 4.22Å; A159-V191 HydrophobicContact CB-CG2 3.92Å; A159-Y193 HydrophobicContact CB-CE2 3.57Å; A159-L202 HydrophobicContact CB-CD1 4.49Å; A159-L202 HydrophobicContact CB-CD2 4.14Å
160S98.6Very high96Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-125140.4170.358.10000110.7I123 H141 H147 V167 K168 W170I123-S160 VanDerWaalsContact CD1-CB 3.47Å; H141-S160 PolarHBondContact CD2-OG 3.12Å; H141-S160 PolarHBondContact NE2-OG 2.98Å; H147-S160 VanDerWaalsContact O-CA 3.3Å; H147-S160 WeakPolarHBondContact O-CA 3.45Å; S160-V167 CarbonylContact O-C 3.41Å; S160-V167 VanDerWaalsContact O-CA 3.24Å; S160-V167 WeakPolarHBondContact O-CA 3.35Å; S160-K168 PolarHBondContact N-O 2.89Å; S160-K168 PolarHBondContact O-N 3.44Å; S160-K168 PolarHBondContact OG-O 2.95Å; S160-W170 PolarHBondContact OG-NE1 2.96Å
161A98.5Very high96.1Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-105.2139.1170.900000109.5V145 M146 H147 V188 V191V145-A161 CarbonylContact C-O 3.59Å; M146-A161 PolarHBondContact N-O 3.18Å; H147-A161 HydrophobicContact CB-CB 4.3Å; H147-A161 PolarHBondContact N-O 3.12Å; H147-A161 PolarHBondContact O-N 3.09Å; A161-V188 HydrophobicContact CB-CB 4.13Å; A161-V188 HydrophobicContact CB-CG1 3.7Å; A161-V191 HydrophobicContact CB-CB 4.03Å; A161-V191 HydrophobicContact CB-CG1 3.88Å
162S98.6Very high96.2Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-137.1155.5-179.9174.10000112.2H141 H143 Y144 D164 H165 T166 V188H141-S162 WeakPolarHBondContact CE1-CB 3.08Å; H141-S162 WeakPolarHBondContact ND1-CB 3.43Å; H143-S162 PolarHBondContact O-OG 3.17Å; Y144-S162 VanDerWaalsContact O-CA 3.26Å; Y144-S162 WeakPolarHBondContact O-CA 3.16Å; Y144-S162 WeakPolarHBondContact O-CB 3.39Å; Y144-S162 PolarHBondContact O-OG 3.03Å; S162-D164 VanDerWaalsContact CB-OD1 3.3Å; S162-D164 WeakPolarHBondContact CB-OD1 3.42Å; S162-D164 PolarHBondContact O-N 2.93Å; S162-D164 VanDerWaalsContact OG-CG 3.29Å; S162-D164 PolarHBondContact OG-N 2.66Å; S162-D164 VanDerWaalsContact OG-N 3.13Å; S162-D164 PolarHBondContact OG-OD1 3.23Å; S162-H165 PolarHBondContact O-N 3.48Å; S162-T166 PolarHBondContact N-O 3.41Å; S162-V188 CarbonylContact C-O 3.56Å; S162-V188 PolarHBondContact N-O 3.42Å; S162-V188 WeakPolarHBondContact O-CB 3.41Å; S162-V188 PolarHBondContact O-N 2.96Å
163L98.4Very high96.3Very high35 Ų3528.4 Ų28.418%0.18316%0.164CC..THydrogen-bonded Turntrans-68.3-2.3170-60.5-173.1000113.4H143 Y144 M146 H165H143-L163 HydrophobicContact CB-CB 4.07Å; Y144-L163 HydrophobicContact CD2-CD1 3.7Å; Y144-L163 HydrophobicContact CG-CD1 4.28Å; Y144-L163 PolarHBondContact O-N 3.13Å; M146-L163 HydrophobicContact CE-CD2 4.48Å; M146-L163 HydrophobicContact CG-CD1 4.48Å; M146-L163 HydrophobicContact CG-CD2 3.71Å; M146-L163 HydrophobicContact CG-CG 3.68Å; M146-L163 HydrophobicContact SD-CD1 4Å; M146-L163 HydrophobicContact SD-CD2 4.17Å; M146-L163 HydrophobicContact SD-CG 3.85Å; L163-H165 PolarHBondContact O-CD2 3.24Å; L163-H165 PolarHBondContact O-N 3.46Å
164D97.9Very high96.6Very high29 Ų2926 Ų2616%0.15516%0.157CC..THydrogen-bonded Turntrans-76.711.8168.672.67.5000114H141 N142 H143 S162 T166H141-D164 WeakPolarHBondContact CA-OD2 3.43Å; H141-D164 IonicContact CE1-OD1 3.81Å; H141-D164 IonicContact CE1-OD2 3.87Å; H141-D164 IonicContact CG-OD2 3.55Å; H141-D164 IonicContact ND1-OD1 3.33Å; H141-D164 PolarHBondContact ND1-OD1 3.44Å; H141-D164 IonicContact ND1-OD2 2.78Å; H141-D164 PolarHBondContact ND1-OD2 2.85Å; N142-D164 HydrophobicContact CB-CB 4.28Å; N142-D164 PolarHBondContact N-OD2 2.94Å; H143-D164 HydrophobicContact CB-CB 3.95Å; S162-D164 VanDerWaalsContact CB-OD1 3.3Å; S162-D164 WeakPolarHBondContact CB-OD1 3.42Å; S162-D164 PolarHBondContact O-N 2.93Å; S162-D164 VanDerWaalsContact OG-CG 3.29Å; S162-D164 PolarHBondContact OG-N 2.66Å; S162-D164 VanDerWaalsContact OG-N 3.13Å; S162-D164 PolarHBondContact OG-OD1 3.23Å; D164-T166 WeakPolarHBondContact O-CG2 3.48Å; D164-T166 PolarHBondContact O-N 2.84Å; D164-T166 VanDerWaalsContact OD1-CB 3.3Å; D164-T166 WeakPolarHBondContact OD1-CB 3.49Å; D164-T166 PolarHBondContact OD1-N 3.15Å; D164-T166 PolarHBondContact OD1-OG1 2.89Å; D164-T166 PolarHBondContact OD2-OG1 2.95Å
165H98.2Very high96.7Very high82 Ų8223.6 Ų23.638%0.3815%0.15SC..SBendtrans72.410.1179.7-47.8179.6000114.2S162 L163 E185 R186 G187S162-H165 PolarHBondContact O-N 3.48Å; L163-H165 PolarHBondContact O-CD2 3.24Å; L163-H165 PolarHBondContact O-N 3.46Å; H165-E185 PolarHBondContact CE1-O 3.31Å; H165-R186 PolarHBondContact CD2-O 2.87Å; H165-G187 PolarHBondContact CD2-N 3.45Å; H165-G187 VanDerWaalsContact CD2-N 3.32Å
166T98.2Very high97Very high11 Ų1125.7 Ų25.77%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-115.9153.4-17579.10000113.7H141 S162 D164 K168 T180 L181 E182H141-T166 PolarHBondContact CE1-OG1 3.47Å; H141-T166 PolarHBondContact ND1-OG1 3.23Å; S162-T166 PolarHBondContact N-O 3.41Å; D164-T166 WeakPolarHBondContact O-CG2 3.48Å; D164-T166 PolarHBondContact O-N 2.84Å; D164-T166 VanDerWaalsContact OD1-CB 3.3Å; D164-T166 WeakPolarHBondContact OD1-CB 3.49Å; D164-T166 PolarHBondContact OD1-N 3.15Å; D164-T166 PolarHBondContact OD1-OG1 2.89Å; D164-T166 PolarHBondContact OD2-OG1 2.95Å; T166-K168 WeakPolarHBondContact OG1-CE 3.31Å; T166-T180 HydrophobicContact CG2-CG2 3.76Å; T166-L181 WeakPolarHBondContact CA-O 3.15Å; T166-E182 HydrophobicContact CG2-CG 3.97Å
167V98.5Very high97.1Very high2 Ų223.8 Ų23.81%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-110.4122.4161.2175.60000108.2A159 S160 T180 L181 V188 V191A159-V167 HydrophobicContact CB-CG1 4.28Å; S160-V167 CarbonylContact O-C 3.41Å; S160-V167 VanDerWaalsContact O-CA 3.24Å; S160-V167 WeakPolarHBondContact O-CA 3.35Å; V167-T180 CarbonylContact O-C 3.59Å; V167-L181 HydrophobicContact CB-CB 4.25Å; V167-L181 HydrophobicContact CB-CD1 4.45Å; V167-L181 HydrophobicContact CG1-CD1 4.4Å; V167-L181 PolarHBondContact N-O 3.5Å; V167-L181 PolarHBondContact O-N 3.22Å; V167-V188 HydrophobicContact CG2-CG1 3.94Å; V167-V191 HydrophobicContact CG1-CG2 3.85Å
168K98.5Very high97.1Very high22 Ų2226.7 Ų26.710%0.09617%0.172CC..EExtended strand (participates in β ladder)trans-107.2139176.8-68.9176.9-166.4-79.90110.1G140 H141 A159 S160 T166 W170 P177 T180G140-K168 WeakPolarHBondContact O-CE 3.42Å; G140-K168 PolarHBondContact O-NZ 3.47Å; H141-K168 VanDerWaalsContact CE1-CD 3.46Å; H141-K168 WeakPolarHBondContact CE1-CD 3.35Å; H141-K168 VanDerWaalsContact ND1-CE 3.34Å; H141-K168 WeakPolarHBondContact ND1-CE 3.42Å; A159-K168 CarbonylContact C-O 3.58Å; A159-K168 VanDerWaalsContact CA-O 3.27Å; A159-K168 WeakPolarHBondContact CA-O 3.49Å; S160-K168 PolarHBondContact N-O 2.89Å; S160-K168 PolarHBondContact O-N 3.44Å; S160-K168 PolarHBondContact OG-O 2.95Å; T166-K168 WeakPolarHBondContact OG1-CE 3.31Å; K168-W170 HydrophobicContact CB-CZ2 3.7Å; K168-W170 HydrophobicContact CD-CH2 4.16Å; K168-W170 HydrophobicContact CD-CZ2 3.67Å; K168-W170 HydrophobicContact CG-CZ2 4.31Å; K168-W170 PolarHBondContact O-NE1 3.27Å; K168-P177 HydrophobicContact CB-CB 4.1Å; K168-P177 HydrophobicContact CD-CB 4.34Å; K168-P177 HydrophobicContact CD-CG 4.3Å; K168-P177 HydrophobicContact CG-CB 4.39Å; K168-T180 HydrophobicContact CG-CG2 3.99Å; K168-T180 PolarHBondContact NZ-OG1 3.48Å; K168-T180 VanDerWaalsContact NZ-OG1 3.1Å
169V98.2Very high97.1Very high5 Ų528.4 Ų28.43%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-110.7133.2175177.20000108.9F158 A159 P177 N178 F179 L202F158-V169 CarbonylContact O-C 3.44Å; F158-V169 WeakPolarHBondContact O-CA 3.44Å; A159-V169 HydrophobicContact CB-CG2 4.22Å; V169-P177 CarbonylContact O-C 3.51Å; V169-N178 WeakPolarHBondContact O-CA 3.43Å; V169-N178 WeakPolarHBondContact O-CB 3.43Å; V169-N178 PolarHBondContact O-N 3.39Å; V169-F179 HydrophobicContact CB-CD1 4.28Å; V169-F179 HydrophobicContact CB-CD2 4.26Å; V169-F179 HydrophobicContact CB-CE1 3.77Å; V169-F179 HydrophobicContact CB-CE2 3.74Å; V169-F179 HydrophobicContact CB-CZ 3.46Å; V169-F179 VanDerWaalsContact CB-CZ 3.46Å; V169-F179 HydrophobicContact CG1-CE1 3.85Å; V169-F179 HydrophobicContact CG1-CZ 3.76Å; V169-F179 HydrophobicContact CG2-CD2 4.27Å; V169-F179 HydrophobicContact CG2-CE1 4.28Å; V169-F179 HydrophobicContact CG2-CE2 3.45Å; V169-F179 VanDerWaalsContact CG2-CE2 3.45Å; V169-F179 HydrophobicContact CG2-CZ 3.46Å; V169-F179 VanDerWaalsContact CG2-CZ 3.46Å; V169-F179 PolarHBondContact N-O 2.64Å; V169-L202 HydrophobicContact CG2-CD1 3.87Å
170W98.2Very high97Very high1 Ų130.6 Ų30.60%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-125.2162.1-169.6-49.783.2000110.6I123 F138 T157 F158 S160 K168 P177I123-W170 HydrophobicContact CD1-CZ2 4.13Å; F138-W170 HydrophobicContact CB-CD2 4.27Å; F138-W170 HydrophobicContact CB-CE3 3.75Å; F138-W170 HydrophobicContact CB-CH2 4.17Å; F138-W170 HydrophobicContact CB-CZ3 3.69Å; F138-W170 HydrophobicContact CD1-CB 4.44Å; F138-W170 HydrophobicContact CD1-CD2 4.35Å; F138-W170 AromaticContact CD1-CE3 3.82Å; F138-W170 HydrophobicContact CD1-CE3 3.82Å; F138-W170 HydrophobicContact CD1-CZ3 4.48Å; F138-W170 HydrophobicContact CG-CE3 4.18Å; T157-W170 WeakPolarHBondContact CA-O 3.4Å; T157-W170 WeakPolarHBondContact CB-O 3.34Å; F158-W170 HydrophobicContact CD1-CB 3.92Å; F158-W170 HydrophobicContact CD2-CB 4.29Å; F158-W170 AromaticContact CD2-CD1 3.76Å; F158-W170 HydrophobicContact CD2-CG 4.29Å; F158-W170 HydrophobicContact CE1-CB 3.43Å; F158-W170 VanDerWaalsContact CE1-CB 3.43Å; F158-W170 HydrophobicContact CE1-CG 4.12Å; F158-W170 HydrophobicContact CE2-CB 3.83Å; F158-W170 AromaticContact CE2-CD1 3.3Å; F158-W170 HydrophobicContact CE2-CD2 4.46Å; F158-W170 AromaticContact CE2-CG 3.62Å; F158-W170 HydrophobicContact CE2-CG 3.62Å; F158-W170 AromaticContact CE2-NE1 4Å; F158-W170 HydrophobicContact CG-CB 4.33Å; F158-W170 HydrophobicContact CZ-CB 3.37Å; F158-W170 AromaticContact CZ-CD1 3.73Å; F158-W170 HydrophobicContact CZ-CD2 4.29Å; F158-W170 AromaticContact CZ-CG 3.53Å; F158-W170 HydrophobicContact CZ-CG 3.53Å; F158-W170 PolarHBondContact N-O 3.35Å; F158-W170 VanDerWaalsContact N-O 3.15Å; F158-W170 PolarHBondContact O-N 3.27Å; S160-W170 PolarHBondContact OG-NE1 2.96Å; K168-W170 HydrophobicContact CB-CZ2 3.7Å; K168-W170 HydrophobicContact CD-CH2 4.16Å; K168-W170 HydrophobicContact CD-CZ2 3.67Å; K168-W170 HydrophobicContact CG-CZ2 4.31Å; K168-W170 PolarHBondContact O-NE1 3.27Å; W170-P177 HydrophobicContact CD2-CB 3.96Å; W170-P177 VanDerWaalsContact CE3-CA 3.49Å; W170-P177 HydrophobicContact CE3-CB 3.78Å; W170-P177 HydrophobicContact CE3-CG 4.48Å; W170-P177 HydrophobicContact CH2-CB 4.01Å; W170-P177 HydrophobicContact CH2-CG 4.15Å; W170-P177 HydrophobicContact CZ2-CB 4.17Å; W170-P177 HydrophobicContact CZ3-CB 3.81Å; W170-P177 VanDerWaalsContact CZ3-CD 3.41Å; W170-P177 HydrophobicContact CZ3-CG 4.05Å
171S97Very high97Very high24 Ų2430.8 Ų30.817%0.16819%0.194CC..EExtended strand (participates in β ladder)trans-115.7139.7165.8-54.10000108.5F138 N156 G173 S174 N178F138-S171 WeakPolarHBondContact CE1-O 3.47Å; N156-S171 CarbonylContact O-C 3.35Å; N156-S171 WeakPolarHBondContact O-CA 3.45Å; S171-G173 PolarHBondContact O-N 3.06Å; S171-S174 PolarHBondContact O-N 3.47Å; S171-S174 VanDerWaalsContact O-O 3.14Å; S171-N178 VanDerWaalsContact OG-CG 3.25Å; S171-N178 PolarHBondContact OG-ND2 3.38Å; S171-N178 PolarHBondContact OG-OD1 2.84Å
172L95.8Very high96.9Very high13 Ų1337.6 Ų37.67%0.06823%0.226CC..THydrogen-bonded Turntrans-55.4-32.1-177.6-68.8175.8000113.5F113 L115 L125 F138 F150 N156 F158 S174F113-L172 HydrophobicContact CD2-CD1 4.3Å; L115-L172 HydrophobicContact CD2-CD2 4.5Å; L125-L172 HydrophobicContact CD1-CD2 3.75Å; L125-L172 HydrophobicContact CD2-CD2 4.07Å; F138-L172 HydrophobicContact CZ-CD2 4.41Å; F150-L172 HydrophobicContact CE1-CD1 4.36Å; F150-L172 HydrophobicContact CE1-CD2 4.07Å; F150-L172 HydrophobicContact CZ-CD2 4.5Å; N156-L172 PolarHBondContact O-N 3.44Å; F158-L172 HydrophobicContact CD1-CD2 4.02Å; F158-L172 HydrophobicContact CE1-CD2 4.05Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 3Å
173G93.2Very high96.6Very high71 Ų7139.8 Ų39.873%0.73225%0.248SC*.THydrogen-bonded Turntrans-81.90.2178.400000116.1S171S171-G173 PolarHBondContact O-N 3.06Å
174S94.5Very high96.5Very high35 Ų3538.6 Ų38.625%0.24524%0.242CC..  trans-129.4121.2-176.8172.50000111.1F138 S171 L172 T176F138-S174 VanDerWaalsContact CD1-O 3.23Å; F138-S174 WeakPolarHBondContact CD1-O 3.49Å; F138-S174 VanDerWaalsContact CE1-O 3.24Å; F138-S174 WeakPolarHBondContact CE1-O 3.45Å; S171-S174 PolarHBondContact O-N 3.47Å; S171-S174 VanDerWaalsContact O-O 3.14Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 3Å; S174-T176 PolarHBondContact O-N 3.24Å; S174-T176 PolarHBondContact OG-N 3.38Å; S174-T176 PolarHBondContact OG-O 2.87Å; S174-T176 PolarHBondContact OG-OG1 2.86Å; S174-T176 VanDerWaalsContact OG-OG1 3.04Å
175G92.9Very high96.4Very high25 Ų2545.1 Ų45.126%0.25827%0.271SS..SBendtrans-69.5-5.3171.500000114.4
176T94.7Very high96.4Very high93 Ų9347.9 Ų47.957%0.57128%0.278SS*.SBendtrans-108.6145.8175.861.70000111.2S174S174-T176 PolarHBondContact O-N 3.24Å; S174-T176 PolarHBondContact OG-N 3.38Å; S174-T176 PolarHBondContact OG-O 2.87Å; S174-T176 PolarHBondContact OG-OG1 2.86Å; S174-T176 VanDerWaalsContact OG-OG1 3.04Å
177P97.1Very high96.4Very high38 Ų3847.6 Ų47.625%0.24728%0.278CS..  trans-70.9139.3-178.729.6-33.7000110.6K168 V169 W170 F179K168-P177 HydrophobicContact CB-CB 4.1Å; K168-P177 HydrophobicContact CD-CB 4.34Å; K168-P177 HydrophobicContact CD-CG 4.3Å; K168-P177 HydrophobicContact CG-CB 4.39Å; V169-P177 CarbonylContact O-C 3.51Å; W170-P177 HydrophobicContact CD2-CB 3.96Å; W170-P177 VanDerWaalsContact CE3-CA 3.49Å; W170-P177 HydrophobicContact CE3-CB 3.78Å; W170-P177 HydrophobicContact CE3-CG 4.48Å; W170-P177 HydrophobicContact CH2-CB 4.01Å; W170-P177 HydrophobicContact CH2-CG 4.15Å; W170-P177 HydrophobicContact CZ2-CB 4.17Å; W170-P177 HydrophobicContact CZ3-CB 3.81Å; W170-P177 VanDerWaalsContact CZ3-CD 3.41Å; W170-P177 HydrophobicContact CZ3-CG 4.05Å; P177-F179 VanDerWaalsContact C-N 3.27Å; P177-F179 PolarHBondContact O-N 3.46Å
178N96.4Very high96.4Very high74 Ų7447.5 Ų47.540%0.39628%0.277SS..SBendtrans-60.7-39.3173.9-62.9-22000111.1V169 S171V169-N178 WeakPolarHBondContact O-CA 3.43Å; V169-N178 WeakPolarHBondContact O-CB 3.43Å; V169-N178 PolarHBondContact O-N 3.39Å; S171-N178 VanDerWaalsContact OG-CG 3.25Å; S171-N178 PolarHBondContact OG-ND2 3.38Å; S171-N178 PolarHBondContact OG-OD1 2.84Å
179F96.9Very high96.4Very high36 Ų3647.4 Ų47.416%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-165.9164.5174.354.6-88.6000111.3V169 P177 L181 K219V169-F179 HydrophobicContact CB-CD1 4.28Å; V169-F179 HydrophobicContact CB-CD2 4.26Å; V169-F179 HydrophobicContact CB-CE1 3.77Å; V169-F179 HydrophobicContact CB-CE2 3.74Å; V169-F179 HydrophobicContact CB-CZ 3.46Å; V169-F179 VanDerWaalsContact CB-CZ 3.46Å; V169-F179 HydrophobicContact CG1-CE1 3.85Å; V169-F179 HydrophobicContact CG1-CZ 3.76Å; V169-F179 HydrophobicContact CG2-CD2 4.27Å; V169-F179 HydrophobicContact CG2-CE1 4.28Å; V169-F179 HydrophobicContact CG2-CE2 3.45Å; V169-F179 VanDerWaalsContact CG2-CE2 3.45Å; V169-F179 HydrophobicContact CG2-CZ 3.46Å; V169-F179 VanDerWaalsContact CG2-CZ 3.46Å; V169-F179 PolarHBondContact N-O 2.64Å; P177-F179 VanDerWaalsContact C-N 3.27Å; P177-F179 PolarHBondContact O-N 3.46Å; F179-L181 HydrophobicContact CD2-CD2 4.16Å; F179-L181 HydrophobicContact CD2-CG 4.22Å; F179-L181 HydrophobicContact CE2-CD1 4.4Å; F179-L181 HydrophobicContact CE2-CD2 4.2Å; F179-L181 HydrophobicContact CE2-CG 4.17Å; F179-K219 HydrophobicContact CB-CD 4.29Å; F179-K219 VanDerWaalsContact CB-NZ 3.34Å; F179-K219 HydrophobicContact CD2-CD 4.49Å; F179-K219 HydrophobicContact CG-CD 4.42Å
180T97.6Very high96.4Very high46 Ų4647.3 Ų47.328%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-117.8138.6175.8-55.30000109T166 V167 K168 E182T166-T180 HydrophobicContact CG2-CG2 3.76Å; V167-T180 CarbonylContact O-C 3.59Å; K168-T180 HydrophobicContact CG-CG2 3.99Å; K168-T180 PolarHBondContact NZ-OG1 3.48Å; K168-T180 VanDerWaalsContact NZ-OG1 3.1Å; T180-E182 HydrophobicContact CG2-CG 4.03Å
181L97.5Very high96.4Very high4 Ų447.3 Ų47.32%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-107.6127.9171.4-59.6173.3000108.4T166 V167 F179 L202 W214 K219T166-L181 WeakPolarHBondContact CA-O 3.15Å; V167-L181 HydrophobicContact CB-CB 4.25Å; V167-L181 HydrophobicContact CB-CD1 4.45Å; V167-L181 HydrophobicContact CG1-CD1 4.4Å; V167-L181 PolarHBondContact N-O 3.5Å; V167-L181 PolarHBondContact O-N 3.22Å; F179-L181 HydrophobicContact CD2-CD2 4.16Å; F179-L181 HydrophobicContact CD2-CG 4.22Å; F179-L181 HydrophobicContact CE2-CD1 4.4Å; F179-L181 HydrophobicContact CE2-CD2 4.2Å; F179-L181 HydrophobicContact CE2-CG 4.17Å; L181-L202 HydrophobicContact CD1-CD1 4.03Å; L181-W214 HydrophobicContact CB-CD2 4.41Å; L181-W214 HydrophobicContact CB-CE3 4.23Å; L181-W214 HydrophobicContact CB-CZ3 4.4Å; L181-W214 HydrophobicContact CD1-CB 3.88Å; L181-W214 HydrophobicContact CD1-CD2 4.14Å; L181-W214 HydrophobicContact CD1-CE3 4.44Å; L181-W214 HydrophobicContact CD1-CG 3.89Å; L181-W214 HydrophobicContact CD2-CE3 4.4Å; L181-K219 HydrophobicContact CD2-CB 3.98Å
182E95.8Very high96.4Very high144 Ų14447.6 Ų47.667%0.67328%0.277SS*.EExtended strand (participates in β ladder)trans-126.2144.3-176.7-62.3177.5-17700109.3T166 T180 W214T166-E182 HydrophobicContact CG2-CG 3.97Å; T180-E182 HydrophobicContact CG2-CG 4.03Å; E182-W214 WeakPolarHBondContact O-CH2 3.34Å
183G92.3Very high96.3Very high45 Ų4547 Ų4746%0.46427%0.274SS..  trans152.1-6173.200000116.4K212G183-K212 WeakPolarHBondContact O-CE 3.28Å
184H97.1Very high96.2Very high11 Ų1144.1 Ų44.15%0.05124%0.242CC..  trans-73.7147.6164.5-82.1-69.5000110.4V188 S204 S206 D208 T210H184-V188 HydrophobicContact CB-CG2 4.09Å; H184-S204 PolarHBondContact CD2-OG 3.16Å; H184-S204 PolarHBondContact NE2-O 3.02Å; H184-S204 PolarHBondContact NE2-OG 2.96Å; H184-S206 WeakPolarHBondContact ND1-CB 3.3Å; H184-D208 WeakPolarHBondContact CA-OD2 3.45Å; H184-D208 IonicContact CE1-OD1 3.82Å; H184-D208 IonicContact CE1-OD2 3.47Å; H184-D208 IonicContact CG-OD2 3.2Å; H184-D208 IonicContact ND1-OD1 2.72Å; H184-D208 PolarHBondContact ND1-OD1 3.41Å; H184-D208 IonicContact ND1-OD2 3.33Å; H184-D208 PolarHBondContact ND1-OD2 3.39Å; H184-T210 PolarHBondContact CE1-OG1 2.64Å; H184-T210 PolarHBondContact ND1-OG1 2.83Å
185E96.8Very high95.4Very high165 Ų16544.8 Ų44.877%0.77125%0.245SC*.SBendtrans-86.6-17-179.1-64.7-174.8174.200112.7H165 D208H165-E185 PolarHBondContact CE1-O 3.31Å; E185-D208 HydrophobicContact CB-CB 4.17Å; E185-D208 PolarHBondContact N-OD2 3.08Å; E185-D208 VanDerWaalsContact N-OD2 3.09Å
186R97.7Very high94.2Very high140 Ų14046 Ų4653%0.52825%0.249SC..SBendtrans-134.9-178.7178.2-62.7-176.3170.5-157.5-7.3110.5H165 S206 D207 D208H165-R186 PolarHBondContact CD2-O 2.87Å; R186-S206 PolarHBondContact O-OG 2.89Å; R186-D207 HydrophobicContact CB-CB 3.84Å; R186-D207 WeakPolarHBondContact CD-O 3.37Å; R186-D208 HydrophobicContact CB-CB 4.18Å; R186-D208 HydrophobicContact CG-CB 4.25Å
187G97Very high92.8Very high6 Ų643.7 Ų43.76%0.06225%0.245CC..  trans-54.3144.3179.600000113.9H165 S206 D207H165-G187 PolarHBondContact CD2-N 3.45Å; H165-G187 VanDerWaalsContact CD2-N 3.32Å; G187-S206 VanDerWaalsContact O-CA 3.24Å; G187-S206 WeakPolarHBondContact O-CA 3.23Å; G187-S206 VanDerWaalsContact O-CB 3.23Å; G187-S206 WeakPolarHBondContact O-CB 3.29Å; G187-S206 PolarHBondContact O-OG 3.39Å; G187-D207 PolarHBondContact O-N 3.29Å; G187-D207 VanDerWaalsContact O-N 3.11Å
188V98.6Very high91.4Very high0 Ų049.9 Ų49.90%028%0.276CS..EExtended strand (participates in β ladder)trans-97.7120177.9-169.50000108.9A161 S162 V167 H184 G205A161-V188 HydrophobicContact CB-CB 4.13Å; A161-V188 HydrophobicContact CB-CG1 3.7Å; S162-V188 CarbonylContact C-O 3.56Å; S162-V188 PolarHBondContact N-O 3.42Å; S162-V188 WeakPolarHBondContact O-CB 3.41Å; S162-V188 PolarHBondContact O-N 2.96Å; V167-V188 HydrophobicContact CG2-CG1 3.94Å; H184-V188 HydrophobicContact CB-CG2 4.09Å; V188-G205 WeakPolarHBondContact CG1-O 3.23Å
189N98.4Very high90.7Very high20 Ų2050 Ų5011%0.10727%0.273CS..EExtended strand (participates in β ladder)trans-91-34.5-174.5-66.6-39.8000113.1M146 H147 G205 D207 I232M146-N189 VanDerWaalsContact CB-O 3.29Å; M146-N189 WeakPolarHBondContact CB-O 3.2Å; H147-N189 WeakPolarHBondContact CB-O 3.29Å; N189-G205 PolarHBondContact N-O 3.33Å; N189-D207 PolarHBondContact ND2-OD1 3.17Å; N189-I232 WeakPolarHBondContact CB-O 3.33Å; N189-I232 PolarHBondContact ND2-O 2.96Å
190C98.1Very high90.4Very high2 Ų248.9 Ų48.91%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-144.7151.4-170.954.10000111.4S204 G205 S234 V235C190-S204 VanDerWaalsContact O-CA 3.24Å; C190-S204 WeakPolarHBondContact O-CA 3.15Å; C190-G205 PolarHBondContact N-O 2.87Å; C190-G205 PolarHBondContact O-N 3.12Å; C190-S234 VanDerWaalsContact SG-C 3.55Å; C190-S234 VanDerWaalsContact SG-CA 3.55Å; C190-V235 HydrophobicContact CB-CG1 4.18Å; C190-V235 PolarHBondContact SG-N 2.91Å; C190-V235 VanDerWaalsContact SG-N 3.4Å
191V98.1Very high90.3Very high1 Ų148.6 Ų48.61%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-145.4141.3176.5610000109.9H147 A149 A159 A161 V167 L202 A203H147-V191 PolarHBondContact CE1-O 3.47Å; H147-V191 PolarHBondContact ND1-O 3.4Å; H147-V191 VanDerWaalsContact ND1-O 3.11Å; A149-V191 HydrophobicContact CB-CG1 4.43Å; A159-V191 HydrophobicContact CB-CG1 4.22Å; A159-V191 HydrophobicContact CB-CG2 3.92Å; A161-V191 HydrophobicContact CB-CB 4.03Å; A161-V191 HydrophobicContact CB-CG1 3.88Å; V167-V191 HydrophobicContact CG1-CG2 3.85Å; V191-L202 HydrophobicContact CG2-CD2 3.79Å; V191-A203 CarbonylContact C-O 3.55Å; V191-A203 VanDerWaalsContact CA-O 3.24Å; V191-A203 WeakPolarHBondContact CA-O 3.35Å
192D97Very high90.2Very high30 Ų3048.4 Ų48.416%0.1626%0.262CS..EExtended strand (participates in β ladder)trans-146.1153.6173.9-16929.4000112.7L202 A203 V235 L236 F237D192-L202 CarbonylContact O-C 3.58Å; D192-L202 WeakPolarHBondContact O-CA 3.32Å; D192-L202 WeakPolarHBondContact O-CD2 3.37Å; D192-A203 PolarHBondContact N-O 3.3Å; D192-A203 PolarHBondContact O-N 3.48Å; D192-V235 WeakPolarHBondContact CB-O 3.23Å; D192-L236 VanDerWaalsContact OD2-CA 3.28Å; D192-L236 WeakPolarHBondContact OD2-CA 3.2Å; D192-F237 PolarHBondContact OD2-N 3.31Å
193Y94.8Very high90.3Very high2 Ų241.5 Ų41.51%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-96.7139.1179.2-82.2-85000112A149 F150 N151 A159 T195 L202 Y216 F237A149-Y193 HydrophobicContact CB-CD2 4.17Å; A149-Y193 WeakPolarHBondContact O-CE2 3.49Å; F150-Y193 WeakPolarHBondContact O-CD2 3.39Å; N151-Y193 HydrophobicContact CB-CD1 4.17Å; N151-Y193 HydrophobicContact CB-CD2 4.14Å; N151-Y193 HydrophobicContact CB-CE1 3.89Å; N151-Y193 HydrophobicContact CB-CE2 3.85Å; N151-Y193 HydrophobicContact CB-CG 4.29Å; A159-Y193 HydrophobicContact CB-CE2 3.57Å; Y193-T195 PolarHBondContact O-N 3.28Å; Y193-L202 HydrophobicContact CD1-CD2 3.44Å; Y193-L202 VanDerWaalsContact CD1-CD2 3.44Å; Y193-L202 HydrophobicContact CD1-CG 3.85Å; Y193-L202 HydrophobicContact CD2-CD2 3.66Å; Y193-L202 HydrophobicContact CE1-CD1 4.04Å; Y193-L202 HydrophobicContact CE1-CD2 3.46Å; Y193-L202 VanDerWaalsContact CE1-CD2 3.46Å; Y193-L202 HydrophobicContact CE1-CG 3.68Å; Y193-L202 HydrophobicContact CE2-CD2 3.68Å; Y193-L202 HydrophobicContact CG-CD2 3.54Å; Y193-L202 HydrophobicContact CG-CG 4.42Å; Y193-Y216 HydrophobicContact CD1-CD1 4.32Å; Y193-Y216 HydrophobicContact CD1-CE1 4.06Å; Y193-Y216 HydrophobicContact CE1-CD1 4.02Å; Y193-Y216 HydrophobicContact CE1-CE1 4.01Å; Y193-F237 VanDerWaalsContact C-CD2 3.49Å
194S90.4Very high90.6Very high10 Ų1039.4 Ų39.47%0.0721%0.208CC..  trans-68.7117.5169.8177.70000110.6K153 Y201K153-S194 WeakPolarHBondContact CE-O 3.35Å; S194-Y201 PolarHBondContact N-O 2.78Å
195T79.4Confident90.6Very high49 Ų4938.9 Ų38.930%0.30121%0.205SC..  trans-82.5-23.3174640000112.8P152 Y193 P239P152-T195 HydrophobicContact CB-CG2 4.17Å; P152-T195 HydrophobicContact CG-CG2 3.82Å; Y193-T195 PolarHBondContact O-N 3.28Å; T195-P239 HydrophobicContact CG2-CB 4.38Å; T195-P239 WeakPolarHBondContact OG1-CA 3.5Å; T195-P239 PolarHBondContact OG1-O 3.46Å; T195-P239 VanDerWaalsContact OG1-O 3.11Å
196S67.2Low90.7Very high49 Ų4931 Ų3134%0.34317%0.168SC..SBendtrans-86.5131.5-168.4-171.80000112.3
197G64.3Low90.7Very high46 Ų4626 Ų2647%0.47415%0.152SC..THydrogen-bonded Turntrans60.5-163.8174.100000115.7K153 K199K153-G197 PolarHBondContact NZ-O 2.91Å; G197-K199 PolarHBondContact O-N 3.48Å
198D67.5Low90.8Very high168 Ų16826.9 Ų26.990%0.89816%0.155SC*.THydrogen-bonded Turntrans-80.10.7-177.9-64.4-30.2000113.8P200D198-P200 WeakPolarHBondContact O-CD 3.44Å
199K82.2Confident90.7Very high77 Ų7732.3 Ų32.334%0.33518%0.176SC..  trans-74.4122.1-173.3-67.1-179.6175.4-1740111.8K153 G197 Y201 N259K153-K199 PolarHBondContact NZ-O 2.8Å; G197-K199 PolarHBondContact O-N 3.48Å; K199-Y201 VanDerWaalsContact C-N 3.27Å; K199-Y201 HydrophobicContact CB-CD1 4.4Å; K199-Y201 HydrophobicContact CB-CD2 4Å; K199-Y201 HydrophobicContact CB-CE1 4.46Å; K199-Y201 HydrophobicContact CB-CE2 4.09Å; K199-Y201 HydrophobicContact CB-CG 4.16Å; K199-Y201 HydrophobicContact CD-CD2 4.15Å; K199-Y201 HydrophobicContact CD-CE2 3.68Å; K199-Y201 HydrophobicContact CG-CE2 4.24Å; K199-Y201 PolarHBondContact O-N 3.5Å; K199-N259 PolarHBondContact NZ-OD1 3.4Å
200P91.2Very high90.7Very high12 Ų1232.2 Ų32.28%0.07818%0.176CC..  trans-86.963.5-17936.5-36000110.8D198 Y216 Q217D198-P200 WeakPolarHBondContact O-CD 3.44Å; P200-Y216 VanDerWaalsContact CA-CZ 3.47Å; P200-Y216 HydrophobicContact CB-CD1 4.17Å; P200-Y216 HydrophobicContact CB-CD2 4.18Å; P200-Y216 HydrophobicContact CB-CE1 3.64Å; P200-Y216 HydrophobicContact CB-CE2 3.65Å; P200-Y216 HydrophobicContact CB-CG 4.4Å; P200-Y216 WeakPolarHBondContact O-CD1 3.34Å; P200-Y216 VanDerWaalsContact O-CE1 3.22Å; P200-Y216 WeakPolarHBondContact O-CE1 3.41Å; P200-Y216 PolarHBondContact O-N 3.02Å; P200-Q217 HydrophobicContact CB-CG 3.76Å; P200-Q217 HydrophobicContact CG-CB 4.3Å; P200-Q217 HydrophobicContact CG-CG 3.83Å
201Y94.4Very high90.7Very high39 Ų3932.2 Ų32.215%0.15318%0.176CC..EExtended strand (participates in β ladder)trans-105.8146.9-172.6-64.6-11.5000114.3S194 K199 I213 W214 D215 V222 Y261S194-Y201 PolarHBondContact N-O 2.78Å; K199-Y201 VanDerWaalsContact C-N 3.27Å; K199-Y201 HydrophobicContact CB-CD1 4.4Å; K199-Y201 HydrophobicContact CB-CD2 4Å; K199-Y201 HydrophobicContact CB-CE1 4.46Å; K199-Y201 HydrophobicContact CB-CE2 4.09Å; K199-Y201 HydrophobicContact CB-CG 4.16Å; K199-Y201 HydrophobicContact CD-CD2 4.15Å; K199-Y201 HydrophobicContact CD-CE2 3.68Å; K199-Y201 HydrophobicContact CG-CE2 4.24Å; K199-Y201 PolarHBondContact O-N 3.5Å; Y201-I213 HydrophobicContact CD2-CG2 4.09Å; Y201-I213 HydrophobicContact CG-CG2 4.3Å; Y201-W214 CarbonylContact C-O 3.49Å; Y201-W214 WeakPolarHBondContact CA-O 3.41Å; Y201-D215 HydrophobicContact CD1-CB 3.95Å; Y201-D215 HydrophobicContact CE1-CB 3.82Å; Y201-V222 HydrophobicContact CE1-CG2 4.06Å; Y201-Y261 WeakPolarHBondContact CE2-OH 2.96Å
202L96.2Very high90.8Very high0 Ų033.7 Ų33.70%018%0.182CC..EExtended strand (participates in β ladder)trans-119150.2167.7-85.6169.8000108.9A159 V169 L181 V191 D192 Y193 I213 W214 Y216A159-L202 HydrophobicContact CB-CD1 4.49Å; A159-L202 HydrophobicContact CB-CD2 4.14Å; V169-L202 HydrophobicContact CG2-CD1 3.87Å; L181-L202 HydrophobicContact CD1-CD1 4.03Å; V191-L202 HydrophobicContact CG2-CD2 3.79Å; D192-L202 CarbonylContact O-C 3.58Å; D192-L202 WeakPolarHBondContact O-CA 3.32Å; D192-L202 WeakPolarHBondContact O-CD2 3.37Å; Y193-L202 HydrophobicContact CD1-CD2 3.44Å; Y193-L202 VanDerWaalsContact CD1-CD2 3.44Å; Y193-L202 HydrophobicContact CD1-CG 3.85Å; Y193-L202 HydrophobicContact CD2-CD2 3.66Å; Y193-L202 HydrophobicContact CE1-CD1 4.04Å; Y193-L202 HydrophobicContact CE1-CD2 3.46Å; Y193-L202 VanDerWaalsContact CE1-CD2 3.46Å; Y193-L202 HydrophobicContact CE1-CG 3.68Å; Y193-L202 HydrophobicContact CE2-CD2 3.68Å; Y193-L202 HydrophobicContact CG-CD2 3.54Å; Y193-L202 HydrophobicContact CG-CG 4.42Å; L202-I213 CarbonylContact O-C 3.6Å; L202-I213 WeakPolarHBondContact O-CA 3.49Å; L202-W214 HydrophobicContact CB-CB 4.19Å; L202-W214 PolarHBondContact N-O 3.02Å; L202-W214 PolarHBondContact O-N 3.14Å; L202-Y216 HydrophobicContact CD1-CD1 4.43Å; L202-Y216 HydrophobicContact CG-CD1 4.14Å
203A97.4Very high90.8Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-123.1140.4169.300000109.2V191 D192 V211 K212 I213 V235 F237V191-A203 CarbonylContact C-O 3.55Å; V191-A203 VanDerWaalsContact CA-O 3.24Å; V191-A203 WeakPolarHBondContact CA-O 3.35Å; D192-A203 PolarHBondContact N-O 3.3Å; D192-A203 PolarHBondContact O-N 3.48Å; A203-V211 HydrophobicContact CB-CG1 4.43Å; A203-K212 CarbonylContact C-O 3.54Å; A203-K212 VanDerWaalsContact CA-O 3.31Å; A203-K212 WeakPolarHBondContact CA-O 3.36Å; A203-I213 HydrophobicContact CB-CD1 3.65Å; A203-V235 HydrophobicContact CB-CG1 4.31Å; A203-V235 HydrophobicContact CB-CG2 3.7Å; A203-F237 HydrophobicContact CB-CD2 4.15Å; A203-F237 HydrophobicContact CB-CE2 3.37Å; A203-F237 HydrophobicContact CB-CZ 3.83Å
204S98.4Very high90.9Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-133.3139175.361.70000111.6H184 C190 V211 K212 W214H184-S204 PolarHBondContact CD2-OG 3.16Å; H184-S204 PolarHBondContact NE2-O 3.02Å; H184-S204 PolarHBondContact NE2-OG 2.96Å; C190-S204 VanDerWaalsContact O-CA 3.24Å; C190-S204 WeakPolarHBondContact O-CA 3.15Å; S204-V211 CarbonylContact O-C 3.56Å; S204-V211 WeakPolarHBondContact O-CA 3.41Å; S204-V211 WeakPolarHBondContact O-CG1 3.5Å; S204-K212 PolarHBondContact N-O 3.27Å; S204-K212 PolarHBondContact O-N 2.82Å; S204-W214 PolarHBondContact OG-NE1 2.77Å
205G98.3Very high91.1Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-113.2141.5175.800000111.5V188 N189 C190V188-G205 WeakPolarHBondContact CG1-O 3.23Å; N189-G205 PolarHBondContact N-O 3.33Å; C190-G205 PolarHBondContact N-O 2.87Å; C190-G205 PolarHBondContact O-N 3.12Å
206S98.5Very high91.7Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-134164.2-171.4172.40000113H184 R186 G187 D208 R209 T210 I232H184-S206 WeakPolarHBondContact ND1-CB 3.3Å; R186-S206 PolarHBondContact O-OG 2.89Å; G187-S206 VanDerWaalsContact O-CA 3.24Å; G187-S206 WeakPolarHBondContact O-CA 3.23Å; G187-S206 VanDerWaalsContact O-CB 3.23Å; G187-S206 WeakPolarHBondContact O-CB 3.29Å; G187-S206 PolarHBondContact O-OG 3.39Å; S206-D208 WeakPolarHBondContact CB-OD1 3.44Å; S206-D208 PolarHBondContact O-N 3.25Å; S206-D208 PolarHBondContact OG-N 2.93Å; S206-D208 VanDerWaalsContact OG-N 3.12Å; S206-D208 PolarHBondContact OG-OD1 3.05Å; S206-R209 PolarHBondContact O-N 2.95Å; S206-T210 PolarHBondContact N-O 3.25Å; S206-I232 PolarHBondContact O-N 3.46Å
207D98.2Very high93Very high34 Ų3437 Ų3718%0.18219%0.186CC..THydrogen-bonded Turntrans-65.3-10.2167-64.8-27.1000113.4R186 G187 N189 R209 N231R186-D207 HydrophobicContact CB-CB 3.84Å; R186-D207 WeakPolarHBondContact CD-O 3.37Å; G187-D207 PolarHBondContact O-N 3.29Å; G187-D207 VanDerWaalsContact O-N 3.11Å; N189-D207 PolarHBondContact ND2-OD1 3.17Å; D207-R209 PolarHBondContact O-N 2.86Å; D207-N231 PolarHBondContact O-OD1 3.38Å; D207-N231 WeakPolarHBondContact OD1-CB 3.27Å; D207-N231 VanDerWaalsContact OD1-CG 3.22Å; D207-N231 PolarHBondContact OD1-ND2 2.86Å
208D97.5Very high94.4Very high25 Ų2539.2 Ų39.213%0.13419%0.19CC..THydrogen-bonded Turntrans-74.63.7169.272.912.7000113.2H184 E185 R186 S206 T210H184-D208 WeakPolarHBondContact CA-OD2 3.45Å; H184-D208 IonicContact CE1-OD1 3.82Å; H184-D208 IonicContact CE1-OD2 3.47Å; H184-D208 IonicContact CG-OD2 3.2Å; H184-D208 IonicContact ND1-OD1 2.72Å; H184-D208 PolarHBondContact ND1-OD1 3.41Å; H184-D208 IonicContact ND1-OD2 3.33Å; H184-D208 PolarHBondContact ND1-OD2 3.39Å; E185-D208 HydrophobicContact CB-CB 4.17Å; E185-D208 PolarHBondContact N-OD2 3.08Å; E185-D208 VanDerWaalsContact N-OD2 3.09Å; R186-D208 HydrophobicContact CB-CB 4.18Å; R186-D208 HydrophobicContact CG-CB 4.25Å; S206-D208 WeakPolarHBondContact CB-OD1 3.44Å; S206-D208 PolarHBondContact O-N 3.25Å; S206-D208 PolarHBondContact OG-N 2.93Å; S206-D208 VanDerWaalsContact OG-N 3.12Å; S206-D208 PolarHBondContact OG-OD1 3.05Å; D208-T210 VanDerWaalsContact CG-OG1 3.3Å; D208-T210 PolarHBondContact O-N 3.49Å; D208-T210 WeakPolarHBondContact OD1-CA 3.06Å; D208-T210 WeakPolarHBondContact OD1-CB 3.24Å; D208-T210 PolarHBondContact OD1-N 3.11Å; D208-T210 PolarHBondContact OD1-OG1 3.23Å; D208-T210 PolarHBondContact OD2-OG1 3.16Å
209R98.1Very high95.7Very high115 Ų11536.1 Ų36.143%0.43417%0.169SC..SBendtrans68.711.7178.2-43.9174.3-179.5165.5-1.2113.8S206 D207 A229S206-R209 PolarHBondContact O-N 2.95Å; D207-R209 PolarHBondContact O-N 2.86Å; R209-A229 WeakPolarHBondContact CD-O 3.18Å; R209-A229 PolarHBondContact NE-O 3.25Å
210T98.1Very high96.4Very high18 Ų1834.6 Ų34.611%0.1117%0.171CC..  trans-110.6156.1178.877.50000111.8H184 S206 D208 T224 L225 E226H184-T210 PolarHBondContact CE1-OG1 2.64Å; H184-T210 PolarHBondContact ND1-OG1 2.83Å; S206-T210 PolarHBondContact N-O 3.25Å; D208-T210 VanDerWaalsContact CG-OG1 3.3Å; D208-T210 PolarHBondContact O-N 3.49Å; D208-T210 WeakPolarHBondContact OD1-CA 3.06Å; D208-T210 WeakPolarHBondContact OD1-CB 3.24Å; D208-T210 PolarHBondContact OD1-N 3.11Å; D208-T210 PolarHBondContact OD1-OG1 3.23Å; D208-T210 PolarHBondContact OD2-OG1 3.16Å; T210-T224 HydrophobicContact CG2-CG2 4.02Å; T210-L225 WeakPolarHBondContact CA-O 3.32Å; T210-E226 HydrophobicContact CG2-CG 4.18Å
211V98.5Very high96.6Very high2 Ų236.6 Ų36.61%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-114.3125164.8175.40000109.1A203 S204 I213 T224 L225 I232 V235 T246A203-V211 HydrophobicContact CB-CG1 4.43Å; S204-V211 CarbonylContact O-C 3.56Å; S204-V211 WeakPolarHBondContact O-CA 3.41Å; S204-V211 WeakPolarHBondContact O-CG1 3.5Å; V211-I213 HydrophobicContact CG1-CD1 4.29Å; V211-T224 CarbonylContact O-C 3.53Å; V211-T224 WeakPolarHBondContact O-CA 3.08Å; V211-L225 HydrophobicContact CB-CB 4.12Å; V211-L225 HydrophobicContact CB-CD1 4.19Å; V211-L225 HydrophobicContact CB-CG 4.34Å; V211-L225 HydrophobicContact CG1-CD1 4.06Å; V211-L225 PolarHBondContact N-O 3.4Å; V211-L225 PolarHBondContact O-N 3.22Å; V211-I232 HydrophobicContact CG2-CB 4.33Å; V211-I232 HydrophobicContact CG2-CD1 4.25Å; V211-I232 HydrophobicContact CG2-CG1 3.86Å; V211-I232 HydrophobicContact CG2-CG2 3.78Å; V211-V235 HydrophobicContact CG1-CG2 3.77Å; V211-T246 HydrophobicContact CB-CG2 4.36Å; V211-T246 HydrophobicContact CG1-CG2 4.41Å; V211-T246 HydrophobicContact CG2-CG2 3.66Å
212K98.2Very high96.6Very high31 Ų3137.5 Ų37.514%0.13519%0.194CC..EExtended strand (participates in β ladder)trans-103.1133.7176.8-71.3178.5-172.5-74.20110.5G183 A203 S204 W214 Q223 T224G183-K212 WeakPolarHBondContact O-CE 3.28Å; A203-K212 CarbonylContact C-O 3.54Å; A203-K212 VanDerWaalsContact CA-O 3.31Å; A203-K212 WeakPolarHBondContact CA-O 3.36Å; S204-K212 PolarHBondContact N-O 3.27Å; S204-K212 PolarHBondContact O-N 2.82Å; K212-W214 HydrophobicContact CB-CD2 4.47Å; K212-W214 HydrophobicContact CB-CH2 4.48Å; K212-W214 HydrophobicContact CB-CZ2 3.57Å; K212-W214 HydrophobicContact CD-CH2 3.87Å; K212-W214 HydrophobicContact CD-CZ2 3.53Å; K212-W214 HydrophobicContact CG-CZ2 4.17Å; K212-W214 PolarHBondContact O-NE1 3.2Å; K212-Q223 WeakPolarHBondContact CA-O 3.42Å; K212-T224 HydrophobicContact CG-CG2 4.27Å; K212-T224 PolarHBondContact NZ-OG1 2.98Å; K212-T224 VanDerWaalsContact NZ-OG1 3.13Å
213I97.5Very high96.6Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-99125.2171.9-50.2-56.6000107.5Y201 L202 A203 V211 C221 V222 Q223 L225 F237 I244 Y261Y201-I213 HydrophobicContact CD2-CG2 4.09Å; Y201-I213 HydrophobicContact CG-CG2 4.3Å; L202-I213 CarbonylContact O-C 3.6Å; L202-I213 WeakPolarHBondContact O-CA 3.49Å; A203-I213 HydrophobicContact CB-CD1 3.65Å; V211-I213 HydrophobicContact CG1-CD1 4.29Å; I213-C221 CarbonylContact O-C 3.53Å; I213-C221 WeakPolarHBondContact O-CA 3.49Å; I213-V222 HydrophobicContact CG2-CB 4.41Å; I213-V222 PolarHBondContact O-N 2.99Å; I213-Q223 HydrophobicContact CB-CB 4.34Å; I213-Q223 HydrophobicContact CG1-CB 4.37Å; I213-Q223 PolarHBondContact N-O 2.8Å; I213-Q223 PolarHBondContact O-N 2.79Å; I213-L225 HydrophobicContact CD1-CD1 4.27Å; I213-L225 HydrophobicContact CG1-CG 4.48Å; I213-F237 HydrophobicContact CD1-CZ 4.2Å; I213-I244 HydrophobicContact CD1-CD1 3.83Å; I213-I244 HydrophobicContact CG1-CD1 4.48Å; I213-Y261 HydrophobicContact CB-CE1 4.44Å; I213-Y261 HydrophobicContact CG1-CD1 4.27Å; I213-Y261 HydrophobicContact CG1-CE1 3.9Å; I213-Y261 HydrophobicContact CG2-CE1 4.25Å
214W97.1Very high96.6Very high9 Ų943 Ų433%0.03422%0.222CC..EExtended strand (participates in β ladder)trans-116.1140.3-175.7-49.787.8000109.8L181 E182 Y201 L202 S204 K212 A220 C221L181-W214 HydrophobicContact CB-CD2 4.41Å; L181-W214 HydrophobicContact CB-CE3 4.23Å; L181-W214 HydrophobicContact CB-CZ3 4.4Å; L181-W214 HydrophobicContact CD1-CB 3.88Å; L181-W214 HydrophobicContact CD1-CD2 4.14Å; L181-W214 HydrophobicContact CD1-CE3 4.44Å; L181-W214 HydrophobicContact CD1-CG 3.89Å; L181-W214 HydrophobicContact CD2-CE3 4.4Å; E182-W214 WeakPolarHBondContact O-CH2 3.34Å; Y201-W214 CarbonylContact C-O 3.49Å; Y201-W214 WeakPolarHBondContact CA-O 3.41Å; L202-W214 HydrophobicContact CB-CB 4.19Å; L202-W214 PolarHBondContact N-O 3.02Å; L202-W214 PolarHBondContact O-N 3.14Å; S204-W214 PolarHBondContact OG-NE1 2.77Å; K212-W214 HydrophobicContact CB-CD2 4.47Å; K212-W214 HydrophobicContact CB-CH2 4.48Å; K212-W214 HydrophobicContact CB-CZ2 3.57Å; K212-W214 HydrophobicContact CD-CH2 3.87Å; K212-W214 HydrophobicContact CD-CZ2 3.53Å; K212-W214 HydrophobicContact CG-CZ2 4.17Å; K212-W214 PolarHBondContact O-NE1 3.2Å; W214-A220 WeakPolarHBondContact CA-O 3.45Å; W214-C221 HydrophobicContact CE3-CB 3.92Å; W214-C221 HydrophobicContact CH2-CB 4.4Å; W214-C221 HydrophobicContact CZ3-CB 3.82Å
215D95Very high96.6Very high22 Ų2243.4 Ų43.412%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-93.3112.5162.8177.9-44.9000107.6Y201 Q217 T218 K219 A220 V222Y201-D215 HydrophobicContact CD1-CB 3.95Å; Y201-D215 HydrophobicContact CE1-CB 3.82Å; D215-Q217 VanDerWaalsContact C-N 3.26Å; D215-Q217 PolarHBondContact O-N 2.78Å; D215-Q217 WeakPolarHBondContact OD1-CA 3.35Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.44Å; D215-Q217 PolarHBondContact OD1-N 3.3Å; D215-T218 VanDerWaalsContact CB-OG1 3.26Å; D215-T218 WeakPolarHBondContact CB-OG1 3.31Å; D215-T218 PolarHBondContact O-N 3.17Å; D215-T218 PolarHBondContact OD1-N 3.28Å; D215-T218 PolarHBondContact OD1-OG1 2.99Å; D215-K219 WeakPolarHBondContact O-CA 3.49Å; D215-K219 PolarHBondContact O-N 3.17Å; D215-A220 PolarHBondContact N-O 2.87Å; D215-A220 PolarHBondContact O-N 3.04Å; D215-V222 HydrophobicContact CB-CG2 3.62Å
216Y93Very high96.5Very high40 Ų4050 Ų5016%0.15726%0.255CS..THydrogen-bonded Turntrans-78.2-11.4-172.865.7-111.4000113.5Y193 P200 L202Y193-Y216 HydrophobicContact CD1-CD1 4.32Å; Y193-Y216 HydrophobicContact CD1-CE1 4.06Å; Y193-Y216 HydrophobicContact CE1-CD1 4.02Å; Y193-Y216 HydrophobicContact CE1-CE1 4.01Å; P200-Y216 VanDerWaalsContact CA-CZ 3.47Å; P200-Y216 HydrophobicContact CB-CD1 4.17Å; P200-Y216 HydrophobicContact CB-CD2 4.18Å; P200-Y216 HydrophobicContact CB-CE1 3.64Å; P200-Y216 HydrophobicContact CB-CE2 3.65Å; P200-Y216 HydrophobicContact CB-CG 4.4Å; P200-Y216 WeakPolarHBondContact O-CD1 3.34Å; P200-Y216 VanDerWaalsContact O-CE1 3.22Å; P200-Y216 WeakPolarHBondContact O-CE1 3.41Å; P200-Y216 PolarHBondContact O-N 3.02Å; L202-Y216 HydrophobicContact CD1-CD1 4.43Å; L202-Y216 HydrophobicContact CG-CD1 4.14Å
217Q92.6Very high96.2Very high138 Ų13852.2 Ų52.265%0.64528%0.277SS*.THydrogen-bonded Turntrans-80.2-47.8171.6-69.6-179.5-4.800110.6P200 D215P200-Q217 HydrophobicContact CB-CG 3.76Å; P200-Q217 HydrophobicContact CG-CB 4.3Å; P200-Q217 HydrophobicContact CG-CG 3.83Å; D215-Q217 VanDerWaalsContact C-N 3.26Å; D215-Q217 PolarHBondContact O-N 2.78Å; D215-Q217 WeakPolarHBondContact OD1-CA 3.35Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.44Å; D215-Q217 PolarHBondContact OD1-N 3.3Å
218T95.1Very high96.2Very high93 Ų9351.2 Ų51.257%0.57127%0.272SS*.THydrogen-bonded Turntrans-83.7-15.8179.164.70000113.2D215 A220D215-T218 VanDerWaalsContact CB-OG1 3.26Å; D215-T218 WeakPolarHBondContact CB-OG1 3.31Å; D215-T218 PolarHBondContact O-N 3.17Å; D215-T218 PolarHBondContact OD1-N 3.28Å; D215-T218 PolarHBondContact OD1-OG1 2.99Å; T218-A220 PolarHBondContact O-N 3.37Å
219K95.3Very high96.2Very high103 Ų10352.9 Ų52.945%0.44829%0.289SS..THydrogen-bonded Turntrans60.826.6-177.1-48.3-178.6-170.9-59.20113.3F179 L181 D215F179-K219 HydrophobicContact CB-CD 4.29Å; F179-K219 VanDerWaalsContact CB-NZ 3.34Å; F179-K219 HydrophobicContact CD2-CD 4.49Å; F179-K219 HydrophobicContact CG-CD 4.42Å; L181-K219 HydrophobicContact CD2-CB 3.98Å; D215-K219 WeakPolarHBondContact O-CA 3.49Å; D215-K219 PolarHBondContact O-N 3.17Å
220A95.3Very high96.1Very high46 Ų4651.4 Ų51.438%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-107.2148.3-178.400000111.4W214 D215 T218 V222W214-A220 WeakPolarHBondContact CA-O 3.45Å; D215-A220 PolarHBondContact N-O 2.87Å; D215-A220 PolarHBondContact O-N 3.04Å; T218-A220 PolarHBondContact O-N 3.37Å; A220-V222 PolarHBondContact O-N 3.03Å
221C96Very high96.1Very high53 Ų5352 Ų5236%0.35829%0.29SS..EExtended strand (participates in β ladder)trans-72.9113.5165.9-176.10000108.7I213 W214 Q223I213-C221 CarbonylContact O-C 3.53Å; I213-C221 WeakPolarHBondContact O-CA 3.49Å; W214-C221 HydrophobicContact CE3-CB 3.92Å; W214-C221 HydrophobicContact CH2-CB 4.4Å; W214-C221 HydrophobicContact CZ3-CB 3.82Å; C221-Q223 PolarHBondContact SG-O 3.4Å
222V94.9Very high96.1Very high58 Ų5852 Ų5235%0.35229%0.289SS..EExtended strand (participates in β ladder)trans-76.4-41.6178177.90000110.5Y201 I213 D215 A220Y201-V222 HydrophobicContact CE1-CG2 4.06Å; I213-V222 HydrophobicContact CG2-CB 4.41Å; I213-V222 PolarHBondContact O-N 2.99Å; D215-V222 HydrophobicContact CB-CG2 3.62Å; A220-V222 PolarHBondContact O-N 3.03Å
223Q96.4Very high96.1Very high80 Ų8051.3 Ų51.337%0.37429%0.288SS..EExtended strand (participates in β ladder)trans-155.7149.3-178-175.160-61.700112.1K212 I213 C221 L225 Y261K212-Q223 WeakPolarHBondContact CA-O 3.42Å; I213-Q223 HydrophobicContact CB-CB 4.34Å; I213-Q223 HydrophobicContact CG1-CB 4.37Å; I213-Q223 PolarHBondContact N-O 2.8Å; I213-Q223 PolarHBondContact O-N 2.79Å; C221-Q223 PolarHBondContact SG-O 3.4Å; Q223-L225 HydrophobicContact CG-CD2 3.94Å; Q223-Y261 HydrophobicContact CB-CD1 4.41Å; Q223-Y261 HydrophobicContact CB-CD2 4.04Å; Q223-Y261 HydrophobicContact CB-CE2 4.15Å; Q223-Y261 HydrophobicContact CB-CG 4.16Å; Q223-Y261 HydrophobicContact CG-CD1 4.26Å; Q223-Y261 HydrophobicContact CG-CD2 3.85Å; Q223-Y261 HydrophobicContact CG-CE2 4.47Å; Q223-Y261 HydrophobicContact CG-CG 3.72Å
224T97.5Very high96.1Very high37 Ų3751.7 Ų51.723%0.22729%0.291CS..EExtended strand (participates in β ladder)trans-111.8123.3166.9-57.80000109.2T210 V211 K212 E226T210-T224 HydrophobicContact CG2-CG2 4.02Å; V211-T224 CarbonylContact O-C 3.53Å; V211-T224 WeakPolarHBondContact O-CA 3.08Å; K212-T224 HydrophobicContact CG-CG2 4.27Å; K212-T224 PolarHBondContact NZ-OG1 2.98Å; K212-T224 VanDerWaalsContact NZ-OG1 3.13Å; T224-E226 HydrophobicContact CG2-CG 4.04Å
225L97.6Very high96.2Very high7 Ų751.3 Ų51.34%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-93.7120.1174.6-44.6179.2000108.3T210 V211 I213 Q223 I244 W256 Y261T210-L225 WeakPolarHBondContact CA-O 3.32Å; V211-L225 HydrophobicContact CB-CB 4.12Å; V211-L225 HydrophobicContact CB-CD1 4.19Å; V211-L225 HydrophobicContact CB-CG 4.34Å; V211-L225 HydrophobicContact CG1-CD1 4.06Å; V211-L225 PolarHBondContact N-O 3.4Å; V211-L225 PolarHBondContact O-N 3.22Å; I213-L225 HydrophobicContact CD1-CD1 4.27Å; I213-L225 HydrophobicContact CG1-CG 4.48Å; Q223-L225 HydrophobicContact CG-CD2 3.94Å; L225-I244 HydrophobicContact CD1-CD1 4.41Å; L225-W256 HydrophobicContact CB-CD2 4.39Å; L225-W256 HydrophobicContact CB-CE3 4.31Å; L225-W256 HydrophobicContact CB-CH2 4.36Å; L225-W256 HydrophobicContact CB-CZ2 4.42Å; L225-W256 HydrophobicContact CB-CZ3 4.3Å; L225-W256 HydrophobicContact CD1-CB 4.28Å; L225-W256 HydrophobicContact CD1-CD2 4.04Å; L225-W256 HydrophobicContact CD1-CE3 4.48Å; L225-W256 HydrophobicContact CD1-CG 3.92Å; L225-W256 HydrophobicContact CD2-CE3 4.36Å; L225-Y261 HydrophobicContact CD2-CD1 3.98Å; L225-Y261 HydrophobicContact CD2-CG 4.17Å
226E95.8Very high96.2Very high140 Ų14051.2 Ų51.265%0.65429%0.289SS*.  trans-119149.7-178.1-65-179.8-176.800111.1T210 T224 W256T210-E226 HydrophobicContact CG2-CG 4.18Å; T224-E226 HydrophobicContact CG2-CG 4.04Å; E226-W256 VanDerWaalsContact O-CH2 3.31Å; E226-W256 WeakPolarHBondContact O-CH2 3.42Å
227G93.4Very high96.2Very high45 Ų4549.8 Ų49.846%0.46428%0.284SS..  trans141.6-9.7164.100000115.1R254G227-R254 VanDerWaalsContact C-CZ 3.49Å; G227-R254 PolarHBondContact O-NH1 2.89Å; G227-R254 PolarHBondContact O-NH2 3.22Å
228H97.1Very high96Very high13 Ų1343.3 Ų43.36%0.0625%0.254CS..  trans-65.8147.5168.2-83.7-71.4000110.5I232 T246 S248 D250 T252 R254H228-I232 HydrophobicContact CB-CD1 3.59Å; H228-I232 WeakPolarHBondContact CD2-CD1 3.35Å; H228-T246 PolarHBondContact NE2-OG1 3.27Å; H228-S248 VanDerWaalsContact CE1-CB 3.48Å; H228-S248 WeakPolarHBondContact CE1-CB 3.49Å; H228-S248 WeakPolarHBondContact ND1-CB 3.23Å; H228-D250 WeakPolarHBondContact CA-OD2 3.47Å; H228-D250 IonicContact CE1-OD1 3.21Å; H228-D250 IonicContact CG-OD2 2.73Å; H228-D250 IonicContact ND1-OD1 2.7Å; H228-D250 PolarHBondContact ND1-OD1 3.03Å; H228-D250 IonicContact ND1-OD2 3.72Å; H228-D250 PolarHBondContact ND1-OD2 2.9Å; H228-T252 PolarHBondContact CE1-OG1 3.45Å; H228-T252 PolarHBondContact ND1-OG1 2.91Å; H228-R254 WeakPolarHBondContact NE2-CD 3.39Å
229A96.9Very high95.4Very high60 Ų6039.6 Ų39.650%0.49623%0.231SC..SBendtrans-88.3-18.7-177.500000113R209 D250R209-A229 WeakPolarHBondContact CD-O 3.18Å; R209-A229 PolarHBondContact NE-O 3.25Å; A229-D250 HydrophobicContact CB-CB 4.01Å; A229-D250 PolarHBondContact N-OD2 3.22Å
230Q98Very high94.5Very high85 Ų8535.6 Ų35.640%0.39721%0.214SC..SBendtrans-136.6-178.1-177.1-63.7-685.100110.8S248 E249 D250Q230-S248 PolarHBondContact O-OG 2.95Å; Q230-E249 HydrophobicContact CB-CB 3.9Å; Q230-D250 HydrophobicContact CB-CB 4.08Å; Q230-D250 HydrophobicContact CG-CB 4.07Å
231N98.1Very high93.7Very high31 Ų3133.6 Ų33.617%0.16620%0.197CC..  trans-50.4143.9-178.9-55.3-13.7000112.1D207 S248 E249D207-N231 PolarHBondContact O-OD1 3.38Å; D207-N231 WeakPolarHBondContact OD1-CB 3.27Å; D207-N231 VanDerWaalsContact OD1-CG 3.22Å; D207-N231 PolarHBondContact OD1-ND2 2.86Å; N231-S248 VanDerWaalsContact O-CA 3.26Å; N231-S248 WeakPolarHBondContact O-CA 3.33Å; N231-S248 WeakPolarHBondContact O-CB 3.45Å; N231-S248 PolarHBondContact O-OG 3.32Å; N231-E249 HydrophobicContact CB-CG 4.22Å; N231-E249 WeakPolarHBondContact CB-OE1 3.45Å; N231-E249 PolarHBondContact ND2-OE1 3.09Å; N231-E249 PolarHBondContact O-N 3.37Å
232I98.5Very high93Very high0 Ų032.3 Ų32.30%019%0.188CC..EExtended strand (participates in β ladder)trans-87.5117.3171-51.3-58.8000108.2N189 S206 V211 H228N189-I232 WeakPolarHBondContact CB-O 3.33Å; N189-I232 PolarHBondContact ND2-O 2.96Å; S206-I232 PolarHBondContact O-N 3.46Å; V211-I232 HydrophobicContact CG2-CB 4.33Å; V211-I232 HydrophobicContact CG2-CD1 4.25Å; V211-I232 HydrophobicContact CG2-CG1 3.86Å; V211-I232 HydrophobicContact CG2-CG2 3.78Å; H228-I232 HydrophobicContact CB-CD1 3.59Å; H228-I232 WeakPolarHBondContact CD2-CD1 3.35Å
233S98Very high92.6Very high17 Ų1729.6 Ų29.612%0.11917%0.171CC..EExtended strand (participates in β ladder)trans-93.3-30.2-179.156.30000112.7G247 V274S233-G247 PolarHBondContact N-O 3.39Å; S233-G247 PolarHBondContact OG-O 3.28Å; S233-V274 VanDerWaalsContact CB-O 3.29Å; S233-V274 WeakPolarHBondContact CB-O 3.39Å; S233-V274 PolarHBondContact OG-O 2.98Å
234S97.7Very high92.5Very high8 Ų825.8 Ų25.86%0.05615%0.154CC..EExtended strand (participates in β ladder)trans-146.8140.4-177.8-169.10000111.7C190 T246 G247 M277C190-S234 VanDerWaalsContact SG-C 3.55Å; C190-S234 VanDerWaalsContact SG-CA 3.55Å; S234-T246 WeakPolarHBondContact O-CA 3.5Å; S234-G247 PolarHBondContact N-O 3.47Å; S234-G247 PolarHBondContact O-N 2.99Å; S234-M277 PolarHBondContact OG-N 2.75Å
235V97.9Very high92.5Very high2 Ų224 Ų241%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-134.6137.6172.4670000108.9C190 D192 A203 V211 I244 L245 T246C190-V235 HydrophobicContact CB-CG1 4.18Å; C190-V235 PolarHBondContact SG-N 2.91Å; C190-V235 VanDerWaalsContact SG-N 3.4Å; D192-V235 WeakPolarHBondContact CB-O 3.23Å; A203-V235 HydrophobicContact CB-CG1 4.31Å; A203-V235 HydrophobicContact CB-CG2 3.7Å; V211-V235 HydrophobicContact CG1-CG2 3.77Å; V235-I244 HydrophobicContact CG2-CG2 4.01Å; V235-L245 WeakPolarHBondContact CA-O 3.28Å; V235-T246 HydrophobicContact CG2-CG2 4.15Å
236L95.3Very high92.5Very high20 Ų2023.7 Ų23.711%0.10514%0.141CC..EExtended strand (participates in β ladder)trans-141.9139.5176.6-61.3164.6000110.8D192 I244 L245 M277D192-L236 VanDerWaalsContact OD2-CA 3.28Å; D192-L236 WeakPolarHBondContact OD2-CA 3.2Å; L236-I244 CarbonylContact O-C 3.56Å; L236-I244 WeakPolarHBondContact O-CA 3.37Å; L236-L245 HydrophobicContact CB-CB 4.35Å; L236-L245 PolarHBondContact N-O 2.83Å; L236-L245 PolarHBondContact O-N 3.05Å; L236-M277 VanDerWaalsContact CD1-C 3.49Å; L236-M277 HydrophobicContact CD1-CB 3.4Å; L236-M277 HydrophobicContact CG-CB 4.35Å
237F92.2Very high92.6Very high10 Ų1017 Ų174%0.04411%0.11CC..EExtended strand (participates in β ladder)trans-80.9125.8156.4-74.6-83.5000108.6D192 Y193 A203 I213 I244D192-F237 PolarHBondContact OD2-N 3.31Å; Y193-F237 VanDerWaalsContact C-CD2 3.49Å; A203-F237 HydrophobicContact CB-CD2 4.15Å; A203-F237 HydrophobicContact CB-CE2 3.37Å; A203-F237 HydrophobicContact CB-CZ 3.83Å; I213-F237 HydrophobicContact CD1-CZ 4.2Å; F237-I244 HydrophobicContact CD1-CD1 4.33Å; F237-I244 HydrophobicContact CD1-CG1 3.64Å; F237-I244 HydrophobicContact CE1-CD1 3.7Å; F237-I244 HydrophobicContact CE1-CG1 3.53Å; F237-I244 HydrophobicContact CZ-CD1 4.32Å; F237-I244 HydrophobicContact CZ-CG1 4.39Å
238H89.3Confident92.9Very high2 Ų214.9 Ų14.91%0.0099%0.088CC..  trans-64.2133.8170.9-168-67.3000108.9E240 L241 I243 L245 Q284H238-E240 PolarHBondContact ND1-N 3.34Å; H238-E240 PolarHBondContact O-N 3.26Å; H238-L241 HydrophobicContact CB-CB 4.16Å; H238-L241 PolarHBondContact ND1-N 3.17Å; H238-I243 HydrophobicContact CB-CD1 4.09Å; H238-I243 HydrophobicContact CB-CG1 3.49Å; H238-I243 VanDerWaalsContact CB-CG1 3.49Å; H238-I243 PolarHBondContact N-O 2.87Å; H238-L245 HydrophobicContact CB-CD1 4.43Å; H238-Q284 PolarHBondContact CE1-OE1 3.22Å
239P83.1Confident92.9Very high15 Ų1516.5 Ų16.510%0.09710%0.095CC..SBendtrans-67.1-5.5-168.320.4-33.3000115T195 C279 R281T195-P239 HydrophobicContact CG2-CB 4.38Å; T195-P239 WeakPolarHBondContact OG1-CA 3.5Å; T195-P239 PolarHBondContact OG1-O 3.46Å; T195-P239 VanDerWaalsContact OG1-O 3.11Å; P239-C279 WeakPolarHBondContact CD-SG 3.38Å; P239-R281 HydrophobicContact CB-CB 3.95Å; P239-R281 HydrophobicContact CB-CG 4.34Å; P239-R281 HydrophobicContact CG-CB 4.38Å
240E76Confident92.9Very high19 Ų1915.4 Ų15.49%0.0898%0.081CC..SBendtrans-154.6-50.3-151-80-161.817300112H238 R281 G282 Q284 H319H238-E240 PolarHBondContact ND1-N 3.34Å; H238-E240 PolarHBondContact O-N 3.26Å; E240-R281 HydrophobicContact CG-CG 4.33Å; E240-G282 VanDerWaalsContact OE1-CA 3.32Å; E240-G282 WeakPolarHBondContact OE1-CA 3.33Å; E240-G282 PolarHBondContact OE1-N 2.84Å; E240-Q284 PolarHBondContact OE2-NE2 3.38Å; E240-Q284 VanDerWaalsContact OE2-NE2 3.14Å; E240-H319 WeakPolarHBondContact CB-CD2 3.42Å; E240-H319 WeakPolarHBondContact CB-NE2 3.49Å; E240-H319 VanDerWaalsContact CG-CE1 3.42Å; E240-H319 WeakPolarHBondContact CG-CE1 3.25Å; E240-H319 WeakPolarHBondContact CG-NE2 3.28Å; E240-H319 WeakPolarHBondContact O-CB 3.24Å; E240-H319 PolarHBondContact O-CD2 3.08Å; E240-H319 IonicContact OE1-CE1 2.8Å; E240-H319 PolarHBondContact OE1-CE1 3.38Å; E240-H319 IonicContact OE1-NE2 2.63Å; E240-H319 IonicContact OE2-CD2 3.56Å; E240-H319 IonicContact OE2-CE1 3.8Å; E240-H319 PolarHBondContact OE2-CE1 3.35Å; E240-H319 IonicContact OE2-NE2 3.81Å; E240-H319 PolarHBondContact OE2-NE2 2.89Å
241L78.1Confident92.8Very high4 Ų411.5 Ų11.52%0.0216%0.064CC..SBendtrans-79.6145.4171.8-61.2178.7000110L5 H238 I243 L299 Y359L5-L241 HydrophobicContact CD2-CD1 4.14Å; H238-L241 HydrophobicContact CB-CB 4.16Å; H238-L241 PolarHBondContact ND1-N 3.17Å; L241-I243 HydrophobicContact CB-CD1 3.99Å; L241-I243 HydrophobicContact CB-CG1 3.76Å; L241-I243 HydrophobicContact CD1-CD1 3.94Å; L241-I243 PolarHBondContact O-N 3.24Å; L241-L299 HydrophobicContact CD1-CB 3.55Å; L241-L299 HydrophobicContact CD1-CD1 4.19Å; L241-Y359 HydrophobicContact CD2-CE1 4.13Å; L241-Y359 HydrophobicContact CD2-CE2 3.68Å; L241-Y359 WeakPolarHBondContact CD2-OH 3.27Å
242P80.9Confident92.8Very high26 Ų2610.9 Ų10.917%0.1696%0.061CC..SBendtrans-76.551.4178.934.3-37.7000111.8M3 A258 Y359M3-P242 HydrophobicContact CE-CG 4.08Å; M3-P242 HydrophobicContact SD-CG 4.22Å; P242-A258 WeakPolarHBondContact O-CB 3.28Å; P242-A258 PolarHBondContact O-N 3.09Å; P242-Y359 HydrophobicContact CG-CD2 4.45Å
243I88Confident92.8Very high1 Ų110.9 Ų10.91%0.0056%0.061CC..EExtended strand (participates in β ladder)trans-131.2152.7-176.263.7175.6000112.2M3 L5 H238 L241 F255 W256 L299M3-I243 HydrophobicContact SD-CG2 3.9Å; L5-I243 HydrophobicContact CD1-CD1 4.21Å; L5-I243 HydrophobicContact CD1-CG2 4.39Å; H238-I243 HydrophobicContact CB-CD1 4.09Å; H238-I243 HydrophobicContact CB-CG1 3.49Å; H238-I243 VanDerWaalsContact CB-CG1 3.49Å; H238-I243 PolarHBondContact N-O 2.87Å; L241-I243 HydrophobicContact CB-CD1 3.99Å; L241-I243 HydrophobicContact CB-CG1 3.76Å; L241-I243 HydrophobicContact CD1-CD1 3.94Å; L241-I243 PolarHBondContact O-N 3.24Å; I243-F255 HydrophobicContact CD1-CD1 3.9Å; I243-F255 HydrophobicContact CD1-CE1 4.31Å; I243-W256 CarbonylContact C-O 3.49Å; I243-W256 WeakPolarHBondContact CA-O 3.38Å; I243-W256 WeakPolarHBondContact CB-O 3.27Å; I243-L299 HydrophobicContact CD1-CD1 3.84Å
244I94Very high92.7Very high0 Ų011.9 Ų11.90%06%0.062CC..EExtended strand (participates in β ladder)trans-112.6135.9169.4-56.8160000106.7I213 L225 V235 L236 F237 T246 W256 A258 Y261I213-I244 HydrophobicContact CD1-CD1 3.83Å; I213-I244 HydrophobicContact CG1-CD1 4.48Å; L225-I244 HydrophobicContact CD1-CD1 4.41Å; V235-I244 HydrophobicContact CG2-CG2 4.01Å; L236-I244 CarbonylContact O-C 3.56Å; L236-I244 WeakPolarHBondContact O-CA 3.37Å; F237-I244 HydrophobicContact CD1-CD1 4.33Å; F237-I244 HydrophobicContact CD1-CG1 3.64Å; F237-I244 HydrophobicContact CE1-CD1 3.7Å; F237-I244 HydrophobicContact CE1-CG1 3.53Å; F237-I244 HydrophobicContact CZ-CD1 4.32Å; F237-I244 HydrophobicContact CZ-CG1 4.39Å; I244-T246 HydrophobicContact CG2-CG2 4.37Å; I244-W256 HydrophobicContact CB-CB 4.21Å; I244-W256 PolarHBondContact N-O 3.33Å; I244-W256 PolarHBondContact O-N 3.42Å; I244-A258 HydrophobicContact CD1-CB 4.35Å; I244-A258 HydrophobicContact CG1-CB 4.12Å; I244-Y261 HydrophobicContact CD1-CD1 4.2Å; I244-Y261 HydrophobicContact CD1-CE1 4.16Å
245L96.2Very high92.5Very high0 Ų011.5 Ų11.50%06%0.06CC..EExtended strand (participates in β ladder)trans-107.8133.9178.7-68.9152000108.6V235 L236 H238 V253 R254 F255 M277 V286V235-L245 WeakPolarHBondContact CA-O 3.28Å; L236-L245 HydrophobicContact CB-CB 4.35Å; L236-L245 PolarHBondContact N-O 2.83Å; L236-L245 PolarHBondContact O-N 3.05Å; H238-L245 HydrophobicContact CB-CD1 4.43Å; L245-V253 HydrophobicContact CD2-CG1 4.45Å; L245-R254 WeakPolarHBondContact CA-O 3.28Å; L245-F255 HydrophobicContact CD2-CD1 3.56Å; L245-F255 HydrophobicContact CD2-CD2 4.47Å; L245-F255 HydrophobicContact CD2-CE1 3.24Å; L245-F255 HydrophobicContact CD2-CE2 4.18Å; L245-F255 HydrophobicContact CD2-CG 4.17Å; L245-F255 HydrophobicContact CD2-CZ 3.57Å; L245-M277 HydrophobicContact CB-CE 3.65Å; L245-M277 HydrophobicContact CB-SD 4.47Å; L245-M277 HydrophobicContact CD1-CE 4.38Å; L245-M277 HydrophobicContact CD2-CE 3.96Å; L245-M277 HydrophobicContact CG-CE 4.21Å; L245-V286 HydrophobicContact CD1-CG1 4.24Å; L245-V286 HydrophobicContact CD1-CG2 3.81Å
246T98.3Very high92.3Very high0 Ų012 Ų120%06%0.062CC..EExtended strand (participates in β ladder)trans-130.4129.6175.162.20000110.1V211 H228 S234 V235 I244 V253 R254 W256V211-T246 HydrophobicContact CB-CG2 4.36Å; V211-T246 HydrophobicContact CG1-CG2 4.41Å; V211-T246 HydrophobicContact CG2-CG2 3.66Å; H228-T246 PolarHBondContact NE2-OG1 3.27Å; S234-T246 WeakPolarHBondContact O-CA 3.5Å; V235-T246 HydrophobicContact CG2-CG2 4.15Å; I244-T246 HydrophobicContact CG2-CG2 4.37Å; T246-V253 CarbonylContact O-C 3.54Å; T246-V253 VanDerWaalsContact O-CA 3.29Å; T246-V253 WeakPolarHBondContact O-CA 3.31Å; T246-R254 PolarHBondContact N-O 3.42Å; T246-R254 PolarHBondContact O-N 3.4Å; T246-R254 WeakPolarHBondContact OG1-CB 3.35Å; T246-W256 PolarHBondContact OG1-NE1 3.45Å
247G98Very high91.9Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-108.4140.1173.700000110.3S233 S234S233-G247 PolarHBondContact N-O 3.39Å; S233-G247 PolarHBondContact OG-O 3.28Å; S234-G247 PolarHBondContact N-O 3.47Å; S234-G247 PolarHBondContact O-N 2.99Å
248S98.5Very high91.6Very high0 Ų012.5 Ų12.50%07%0.066CC..EExtended strand (participates in β ladder)trans-135.1157.6-177.1175.90000112.8H228 Q230 N231 D250 G251 T252 V274H228-S248 VanDerWaalsContact CE1-CB 3.48Å; H228-S248 WeakPolarHBondContact CE1-CB 3.49Å; H228-S248 WeakPolarHBondContact ND1-CB 3.23Å; Q230-S248 PolarHBondContact O-OG 2.95Å; N231-S248 VanDerWaalsContact O-CA 3.26Å; N231-S248 WeakPolarHBondContact O-CA 3.33Å; N231-S248 WeakPolarHBondContact O-CB 3.45Å; N231-S248 PolarHBondContact O-OG 3.32Å; S248-D250 VanDerWaalsContact CB-OD1 3.31Å; S248-D250 WeakPolarHBondContact CB-OD1 3.39Å; S248-D250 PolarHBondContact O-N 3.21Å; S248-D250 VanDerWaalsContact O-N 3.17Å; S248-D250 PolarHBondContact OG-N 3.39Å; S248-D250 VanDerWaalsContact OG-N 3.15Å; S248-D250 PolarHBondContact OG-OD1 3.48Å; S248-G251 PolarHBondContact O-N 2.92Å; S248-G251 VanDerWaalsContact O-N 3.09Å; S248-T252 PolarHBondContact N-O 2.97Å; S248-V274 WeakPolarHBondContact O-CB 3.35Å; S248-V274 PolarHBondContact O-N 3.07Å; S248-V274 VanDerWaalsContact O-N 3.13Å
249E98.3Very high91.3Very high47 Ų4716.7 Ų16.722%0.229%0.088CC..THydrogen-bonded Turntrans-66.7-0.8167.6-63.3-169.2-130.100113.4Q230 N231 G251 R273Q230-E249 HydrophobicContact CB-CB 3.9Å; N231-E249 HydrophobicContact CB-CG 4.22Å; N231-E249 WeakPolarHBondContact CB-OE1 3.45Å; N231-E249 PolarHBondContact ND2-OE1 3.09Å; N231-E249 PolarHBondContact O-N 3.37Å; E249-G251 PolarHBondContact O-N 3.49Å; E249-R273 HydrophobicContact CB-CB 4.46Å; E249-R273 HydrophobicContact CB-CG 3.99Å; E249-R273 HydrophobicContact CG-CG 4.4Å; E249-R273 WeakPolarHBondContact O-CG 3.33Å; E249-R273 IonicContact OE2-NH1 3.87Å
250D97.4Very high91.4Very high36 Ų3619.6 Ų19.619%0.19311%0.106CC..THydrogen-bonded Turntrans-80.61.8166.468.316.2000113H228 A229 Q230 S248 T252H228-D250 WeakPolarHBondContact CA-OD2 3.47Å; H228-D250 IonicContact CE1-OD1 3.21Å; H228-D250 IonicContact CG-OD2 2.73Å; H228-D250 IonicContact ND1-OD1 2.7Å; H228-D250 PolarHBondContact ND1-OD1 3.03Å; H228-D250 IonicContact ND1-OD2 3.72Å; H228-D250 PolarHBondContact ND1-OD2 2.9Å; A229-D250 HydrophobicContact CB-CB 4.01Å; A229-D250 PolarHBondContact N-OD2 3.22Å; Q230-D250 HydrophobicContact CB-CB 4.08Å; Q230-D250 HydrophobicContact CG-CB 4.07Å; S248-D250 VanDerWaalsContact CB-OD1 3.31Å; S248-D250 WeakPolarHBondContact CB-OD1 3.39Å; S248-D250 PolarHBondContact O-N 3.21Å; S248-D250 VanDerWaalsContact O-N 3.17Å; S248-D250 PolarHBondContact OG-N 3.39Å; S248-D250 VanDerWaalsContact OG-N 3.15Å; S248-D250 PolarHBondContact OG-OD1 3.48Å; D250-T252 VanDerWaalsContact C-N 3.28Å; D250-T252 PolarHBondContact O-N 3.35Å; D250-T252 WeakPolarHBondContact OD1-CA 3.19Å; D250-T252 VanDerWaalsContact OD1-CB 3.28Å; D250-T252 WeakPolarHBondContact OD1-CB 3.47Å; D250-T252 PolarHBondContact OD1-N 3.28Å; D250-T252 PolarHBondContact OD1-OG1 3.31Å; D250-T252 PolarHBondContact OD2-OG1 3.31Å
251G96Very high92Very high4 Ų420.2 Ų20.24%0.04111%0.108CC..SBendtrans7710.1-179.900000114.4S248 E249 E272S248-G251 PolarHBondContact O-N 2.92Å; S248-G251 VanDerWaalsContact O-N 3.09Å; E249-G251 PolarHBondContact O-N 3.49Å; G251-E272 WeakPolarHBondContact CA-O 3.49Å
252T97.4Very high92.6Very high17 Ų1725 Ų2510%0.10413%0.125CC..  trans-106.6146.9179.874.50000112.9H228 S248 D250 T266 L267 N268H228-T252 PolarHBondContact CE1-OG1 3.45Å; H228-T252 PolarHBondContact ND1-OG1 2.91Å; S248-T252 PolarHBondContact N-O 2.97Å; D250-T252 VanDerWaalsContact C-N 3.28Å; D250-T252 PolarHBondContact O-N 3.35Å; D250-T252 WeakPolarHBondContact OD1-CA 3.19Å; D250-T252 VanDerWaalsContact OD1-CB 3.28Å; D250-T252 WeakPolarHBondContact OD1-CB 3.47Å; D250-T252 PolarHBondContact OD1-N 3.28Å; D250-T252 PolarHBondContact OD1-OG1 3.31Å; D250-T252 PolarHBondContact OD2-OG1 3.31Å; T252-T266 HydrophobicContact CG2-CG2 4.11Å; T252-L267 VanDerWaalsContact CA-O 3.32Å; T252-L267 WeakPolarHBondContact CA-O 3.47Å; T252-N268 HydrophobicContact CG2-CB 4.34Å
253V97.5Very high93.1Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-110.3123.8165.3176.80000108.6L245 T246 F255 T266 L267 V274 M277 I288L245-V253 HydrophobicContact CD2-CG1 4.45Å; T246-V253 CarbonylContact O-C 3.54Å; T246-V253 VanDerWaalsContact O-CA 3.29Å; T246-V253 WeakPolarHBondContact O-CA 3.31Å; V253-F255 HydrophobicContact CG1-CE2 3.95Å; V253-F255 HydrophobicContact CG1-CZ 4.44Å; V253-T266 CarbonylContact O-C 3.58Å; V253-T266 WeakPolarHBondContact O-CA 3.35Å; V253-L267 HydrophobicContact CB-CB 4.37Å; V253-L267 PolarHBondContact N-O 2.8Å; V253-L267 PolarHBondContact O-N 3.31Å; V253-V274 HydrophobicContact CG2-CG1 4.23Å; V253-V274 HydrophobicContact CG2-CG2 3.72Å; V253-M277 HydrophobicContact CG1-CE 3.47Å; V253-M277 VanDerWaalsContact CG1-CE 3.47Å; V253-M277 HydrophobicContact CG1-SD 3.9Å; V253-M277 HydrophobicContact CG2-CE 4.45Å; V253-M277 HydrophobicContact CG2-SD 4.18Å; V253-I288 HydrophobicContact CG2-CD1 4.13Å; V253-I288 HydrophobicContact CG2-CG2 4.13Å
254R96.4Very high93Very high39 Ų3928.3 Ų28.315%0.14714%0.141CC..EExtended strand (participates in β ladder)trans-111144.3-179.3-68.9-174.2-175.6-165.54.4112.3G227 H228 L245 T246 W256 L263 T266G227-R254 VanDerWaalsContact C-CZ 3.49Å; G227-R254 PolarHBondContact O-NH1 2.89Å; G227-R254 PolarHBondContact O-NH2 3.22Å; H228-R254 WeakPolarHBondContact NE2-CD 3.39Å; L245-R254 WeakPolarHBondContact CA-O 3.28Å; T246-R254 PolarHBondContact N-O 3.42Å; T246-R254 PolarHBondContact O-N 3.4Å; T246-R254 WeakPolarHBondContact OG1-CB 3.35Å; R254-W256 HydrophobicContact CB-CZ2 4.16Å; R254-L263 HydrophobicContact CB-CD1 3.64Å; R254-L263 HydrophobicContact CG-CD1 3.86Å; R254-T266 HydrophobicContact CG-CG2 4.02Å
255F94.1Very high92.7Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-111.5118179.8-66-107.8000107.7L5 I7 I243 L245 V253 E264 S265 L267 I297 L299L5-F255 HydrophobicContact CD1-CB 4.37Å; L5-F255 HydrophobicContact CD1-CD1 3.56Å; L5-F255 HydrophobicContact CD1-CE1 4.22Å; L5-F255 HydrophobicContact CD1-CG 4.22Å; I7-F255 HydrophobicContact CD1-CE1 4.32Å; I7-F255 HydrophobicContact CD1-CE2 4.31Å; I7-F255 HydrophobicContact CD1-CZ 4.12Å; I243-F255 HydrophobicContact CD1-CD1 3.9Å; I243-F255 HydrophobicContact CD1-CE1 4.31Å; L245-F255 HydrophobicContact CD2-CD1 3.56Å; L245-F255 HydrophobicContact CD2-CD2 4.47Å; L245-F255 HydrophobicContact CD2-CE1 3.24Å; L245-F255 HydrophobicContact CD2-CE2 4.18Å; L245-F255 HydrophobicContact CD2-CG 4.17Å; L245-F255 HydrophobicContact CD2-CZ 3.57Å; V253-F255 HydrophobicContact CG1-CE2 3.95Å; V253-F255 HydrophobicContact CG1-CZ 4.44Å; F255-E264 HydrophobicContact CB-CB 4.4Å; F255-E264 WeakPolarHBondContact O-CB 3.21Å; F255-E264 PolarHBondContact O-N 3.07Å; F255-S265 PolarHBondContact N-O 3.11Å; F255-S265 PolarHBondContact O-N 3.21Å; F255-L267 HydrophobicContact CD2-CG 4.44Å; F255-L267 HydrophobicContact CE2-CB 4.45Å; F255-L267 HydrophobicContact CE2-CD1 3.38Å; F255-L267 HydrophobicContact CE2-CG 3.62Å; F255-L267 HydrophobicContact CZ-CD1 3.61Å; F255-L267 HydrophobicContact CZ-CG 4.32Å; F255-I297 HydrophobicContact CZ-CD1 3.84Å; F255-L299 HydrophobicContact CE1-CD1 3.84Å; F255-L299 HydrophobicContact CE1-CD2 3.52Å; F255-L299 HydrophobicContact CE1-CG 4.36Å; F255-L299 HydrophobicContact CZ-CD2 3.98Å
256W93Very high92.4Very high13 Ų1333.3 Ų33.35%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-112.8141.8179-49.382.6000109L225 E226 I243 I244 T246 R254 A258 R262 L263L225-W256 HydrophobicContact CB-CD2 4.39Å; L225-W256 HydrophobicContact CB-CE3 4.31Å; L225-W256 HydrophobicContact CB-CH2 4.36Å; L225-W256 HydrophobicContact CB-CZ2 4.42Å; L225-W256 HydrophobicContact CB-CZ3 4.3Å; L225-W256 HydrophobicContact CD1-CB 4.28Å; L225-W256 HydrophobicContact CD1-CD2 4.04Å; L225-W256 HydrophobicContact CD1-CE3 4.48Å; L225-W256 HydrophobicContact CD1-CG 3.92Å; L225-W256 HydrophobicContact CD2-CE3 4.36Å; E226-W256 VanDerWaalsContact O-CH2 3.31Å; E226-W256 WeakPolarHBondContact O-CH2 3.42Å; I243-W256 CarbonylContact C-O 3.49Å; I243-W256 WeakPolarHBondContact CA-O 3.38Å; I243-W256 WeakPolarHBondContact CB-O 3.27Å; I244-W256 HydrophobicContact CB-CB 4.21Å; I244-W256 PolarHBondContact N-O 3.33Å; I244-W256 PolarHBondContact O-N 3.42Å; T246-W256 PolarHBondContact OG1-NE1 3.45Å; R254-W256 HydrophobicContact CB-CZ2 4.16Å; W256-A258 PolarHBondContact O-N 3.04Å; W256-R262 WeakPolarHBondContact CA-O 3.19Å; W256-L263 HydrophobicContact CD2-CD1 4.19Å; W256-L263 HydrophobicContact CE3-CB 3.96Å; W256-L263 HydrophobicContact CE3-CD1 4.33Å; W256-L263 HydrophobicContact CH2-CB 4.31Å; W256-L263 HydrophobicContact CH2-CD1 4.25Å; W256-L263 HydrophobicContact CZ2-CD1 4.13Å; W256-L263 HydrophobicContact CZ3-CB 3.79Å; W256-L263 HydrophobicContact CZ3-CD1 4.36Å
257H87.4Confident92.1Very high23 Ų2334.6 Ų34.611%0.10618%0.18CC..EExtended strand (participates in β ladder)trans-73.8123.9174-170.1-51.9000109.9N259 T260 Y261 R262 E264H257-N259 VanDerWaalsContact C-N 3.29Å; H257-N259 PolarHBondContact ND1-N 3.04Å; H257-N259 VanDerWaalsContact ND1-N 3.2Å; H257-N259 PolarHBondContact O-N 3.29Å; H257-T260 VanDerWaalsContact CB-OG1 3.27Å; H257-T260 WeakPolarHBondContact CB-OG1 3.25Å; H257-T260 VanDerWaalsContact CG-OG1 3.32Å; H257-T260 PolarHBondContact ND1-N 3.33Å; H257-T260 PolarHBondContact O-N 3.1Å; H257-Y261 WeakPolarHBondContact O-CA 3.45Å; H257-Y261 PolarHBondContact O-N 3.01Å; H257-R262 HydrophobicContact CB-CG 4.16Å; H257-R262 PolarHBondContact N-O 3.29Å; H257-E264 HydrophobicContact CB-CG 3.93Å; H257-E264 WeakPolarHBondContact CB-OE1 3.37Å; H257-E264 IonicContact CD2-OE1 3.36Å; H257-E264 PolarHBondContact CD2-OE1 2.92Å; H257-E264 VanDerWaalsContact CD2-OE1 3.31Å; H257-E264 IonicContact CG-OE1 3.6Å
258A85.3Confident91.9Very high17 Ų1739.1 Ų39.114%0.1420%0.204CC..THydrogen-bonded Turntrans-65-26.9-171.300000114.6P242 I244 W256 Y261P242-A258 WeakPolarHBondContact O-CB 3.28Å; P242-A258 PolarHBondContact O-N 3.09Å; I244-A258 HydrophobicContact CD1-CB 4.35Å; I244-A258 HydrophobicContact CG1-CB 4.12Å; W256-A258 PolarHBondContact O-N 3.04Å; A258-Y261 WeakPolarHBondContact O-CE1 3.3Å
259N82.9Confident91.5Very high89 Ų8941.9 Ų41.948%0.47622%0.215SC..THydrogen-bonded Turntrans-90.4-40.5176.4-64.2-35.5000114.8K199 H257K199-N259 PolarHBondContact NZ-OD1 3.4Å; H257-N259 VanDerWaalsContact C-N 3.29Å; H257-N259 PolarHBondContact ND1-N 3.04Å; H257-N259 VanDerWaalsContact ND1-N 3.2Å; H257-N259 PolarHBondContact O-N 3.29Å
260T85.1Confident91.1Very high76 Ų7641.8 Ų41.847%0.46623%0.227SC..THydrogen-bonded Turntrans-97.8-12.9-174.763.60000112.8H257 R262H257-T260 VanDerWaalsContact CB-OG1 3.27Å; H257-T260 WeakPolarHBondContact CB-OG1 3.25Å; H257-T260 VanDerWaalsContact CG-OG1 3.32Å; H257-T260 PolarHBondContact ND1-N 3.33Å; H257-T260 PolarHBondContact O-N 3.1Å; T260-R262 PolarHBondContact O-N 2.89Å; T260-R262 WeakPolarHBondContact OG1-CG 3.28Å
261Y90Very high90.9Very high33 Ų3340.1 Ų40.113%0.12922%0.218CC..  trans58.715.1-180-54.7-66.5000115Y201 I213 Q223 L225 I244 H257 A258Y201-Y261 WeakPolarHBondContact CE2-OH 2.96Å; I213-Y261 HydrophobicContact CB-CE1 4.44Å; I213-Y261 HydrophobicContact CG1-CD1 4.27Å; I213-Y261 HydrophobicContact CG1-CE1 3.9Å; I213-Y261 HydrophobicContact CG2-CE1 4.25Å; Q223-Y261 HydrophobicContact CB-CD1 4.41Å; Q223-Y261 HydrophobicContact CB-CD2 4.04Å; Q223-Y261 HydrophobicContact CB-CE2 4.15Å; Q223-Y261 HydrophobicContact CB-CG 4.16Å; Q223-Y261 HydrophobicContact CG-CD1 4.26Å; Q223-Y261 HydrophobicContact CG-CD2 3.85Å; Q223-Y261 HydrophobicContact CG-CE2 4.47Å; Q223-Y261 HydrophobicContact CG-CG 3.72Å; L225-Y261 HydrophobicContact CD2-CD1 3.98Å; L225-Y261 HydrophobicContact CD2-CG 4.17Å; I244-Y261 HydrophobicContact CD1-CD1 4.2Å; I244-Y261 HydrophobicContact CD1-CE1 4.16Å; H257-Y261 WeakPolarHBondContact O-CA 3.45Å; H257-Y261 PolarHBondContact O-N 3.01Å; A258-Y261 WeakPolarHBondContact O-CE1 3.3Å
262R89.8Confident91Very high103 Ų10345.6 Ų45.639%0.38924%0.242SC..  trans-79.7147.9174.475.4-169.4-178.9-178.3-1.7110.5M1 W256 H257 T260 E264M1-R262 PolarHBondContact O-NH2 3.34Å; W256-R262 WeakPolarHBondContact CA-O 3.19Å; H257-R262 HydrophobicContact CB-CG 4.16Å; H257-R262 PolarHBondContact N-O 3.29Å; T260-R262 PolarHBondContact O-N 2.89Å; T260-R262 WeakPolarHBondContact OG1-CG 3.28Å; R262-E264 IonicContact CZ-OE1 3.29Å; R262-E264 IonicContact NE-OE1 3.4Å; R262-E264 PolarHBondContact NE-OE1 3.33Å; R262-E264 IonicContact NE-OE2 3.12Å; R262-E264 IonicContact NH2-OE1 2.78Å; R262-E264 PolarHBondContact NH2-OE1 2.73Å; R262-E264 IonicContact NH2-OE2 3.99Å; R262-E264 PolarHBondContact O-N 3.42Å
263L90.8Very high91Very high71 Ų7148.2 Ų48.237%0.37225%0.25SS..EExtended strand (participates in β ladder)trans-68.8121.7169.6-177.362.8000109.8R254 W256 S265R254-L263 HydrophobicContact CB-CD1 3.64Å; R254-L263 HydrophobicContact CG-CD1 3.86Å; W256-L263 HydrophobicContact CD2-CD1 4.19Å; W256-L263 HydrophobicContact CE3-CB 3.96Å; W256-L263 HydrophobicContact CE3-CD1 4.33Å; W256-L263 HydrophobicContact CH2-CB 4.31Å; W256-L263 HydrophobicContact CH2-CD1 4.25Å; W256-L263 HydrophobicContact CZ2-CD1 4.13Å; W256-L263 HydrophobicContact CZ3-CB 3.79Å; W256-L263 HydrophobicContact CZ3-CD1 4.36Å; L263-S265 WeakPolarHBondContact CD1-O 3.19Å
264E86.5Confident91Very high26 Ų2648.2 Ų48.212%0.12125%0.25CS..EExtended strand (participates in β ladder)trans-95.8-45.2179.7-67.3-69.7178.100111.9P2 M3 F255 H257 R262P2-E264 WeakPolarHBondContact CA-OE2 3.41Å; P2-E264 WeakPolarHBondContact CB-OE2 3.37Å; M3-E264 HydrophobicContact CB-CG 4.45Å; M3-E264 PolarHBondContact N-OE2 2.83Å; F255-E264 HydrophobicContact CB-CB 4.4Å; F255-E264 WeakPolarHBondContact O-CB 3.21Å; F255-E264 PolarHBondContact O-N 3.07Å; H257-E264 HydrophobicContact CB-CG 3.93Å; H257-E264 WeakPolarHBondContact CB-OE1 3.37Å; H257-E264 IonicContact CD2-OE1 3.36Å; H257-E264 PolarHBondContact CD2-OE1 2.92Å; H257-E264 VanDerWaalsContact CD2-OE1 3.31Å; H257-E264 IonicContact CG-OE1 3.6Å; R262-E264 IonicContact CZ-OE1 3.29Å; R262-E264 IonicContact NE-OE1 3.4Å; R262-E264 PolarHBondContact NE-OE1 3.33Å; R262-E264 IonicContact NE-OE2 3.12Å; R262-E264 IonicContact NH2-OE1 2.78Å; R262-E264 PolarHBondContact NH2-OE1 2.73Å; R262-E264 IonicContact NH2-OE2 3.99Å; R262-E264 PolarHBondContact O-N 3.42Å
265S87.4Confident91.1Very high40 Ų4048.5 Ų48.528%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-152.4156.6-177.1-171.60000111.4F255 L263F255-S265 PolarHBondContact N-O 3.11Å; F255-S265 PolarHBondContact O-N 3.21Å; L263-S265 WeakPolarHBondContact CD1-O 3.19Å
266T91.2Very high91.3Very high65 Ų6549.2 Ų49.240%0.39926%0.256SS..EExtended strand (participates in β ladder)trans-131.7127.6173.2-58.10000108.2T252 V253 R254T252-T266 HydrophobicContact CG2-CG2 4.11Å; V253-T266 CarbonylContact O-C 3.58Å; V253-T266 WeakPolarHBondContact O-CA 3.35Å; R254-T266 HydrophobicContact CG-CG2 4.02Å
267L91.8Very high91.5Very high27 Ų2749 Ų4914%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-108.1141.5174.4-63.1178.8000109.6I7 T252 V253 F255 Y269 I297I7-L267 HydrophobicContact CD1-CD1 4.26Å; I7-L267 HydrophobicContact CD1-CD2 4.13Å; I7-L267 HydrophobicContact CD1-CG 4.41Å; I7-L267 HydrophobicContact CG2-CD1 3.98Å; I7-L267 HydrophobicContact CG2-CD2 4.44Å; T252-L267 VanDerWaalsContact CA-O 3.32Å; T252-L267 WeakPolarHBondContact CA-O 3.47Å; V253-L267 HydrophobicContact CB-CB 4.37Å; V253-L267 PolarHBondContact N-O 2.8Å; V253-L267 PolarHBondContact O-N 3.31Å; F255-L267 HydrophobicContact CD2-CG 4.44Å; F255-L267 HydrophobicContact CE2-CB 4.45Å; F255-L267 HydrophobicContact CE2-CD1 3.38Å; F255-L267 HydrophobicContact CE2-CG 3.62Å; F255-L267 HydrophobicContact CZ-CD1 3.61Å; F255-L267 HydrophobicContact CZ-CG 4.32Å; L267-Y269 HydrophobicContact CD1-CE2 4.42Å; L267-I297 HydrophobicContact CD1-CD1 3.75Å
268N92.3Very high91.9Very high95 Ų9548.5 Ų48.551%0.50825%0.254SS..  trans-144.8120.2168.9-175.5-25.9000107.5T252 G270T252-N268 HydrophobicContact CG2-CB 4.34Å; N268-G270 PolarHBondContact OD1-N 3.18Å
269Y90.3Very high92.2Very high59 Ų5948.8 Ų48.823%0.23126%0.255CS..  trans-98.20.9179.7-74.1-65.8000113.7R9 L267 V295 I297R9-Y269 HydrophobicContact CG-CE1 4.46Å; L267-Y269 HydrophobicContact CD1-CE2 4.42Å; Y269-V295 HydrophobicContact CD2-CG1 4.05Å; Y269-V295 HydrophobicContact CD2-CG2 4.31Å; Y269-V295 HydrophobicContact CE2-CG1 3.77Å; Y269-I297 HydrophobicContact CE2-CG2 4Å; Y269-I297 VanDerWaalsContact OH-CG2 3.27Å; Y269-I297 WeakPolarHBondContact OH-CG2 3.39Å
270G90.8Very high92.3Very high45 Ų4547 Ų4746%0.46424%0.243SC..SBendtrans65.537.7-178.400000113N268N268-G270 PolarHBondContact OD1-N 3.18Å
271L93.8Very high91.8Very high1 Ų152.2 Ų52.21%0.00525%0.254CS..SBendtrans-109.725.2176.5-61.3176.5000111.2R14 Y290 E292 V295R14-L271 HydrophobicContact CG-CD2 4.47Å; L271-Y290 HydrophobicContact CB-CD1 3.69Å; L271-Y290 HydrophobicContact CB-CD2 4.26Å; L271-Y290 HydrophobicContact CB-CE1 4.39Å; L271-Y290 HydrophobicContact CB-CG 3.62Å; L271-Y290 HydrophobicContact CD1-CD2 3.86Å; L271-Y290 HydrophobicContact CD1-CE2 4.3Å; L271-Y290 HydrophobicContact CD1-CG 4.09Å; L271-Y290 HydrophobicContact CG-CG 4.5Å; L271-Y290 WeakPolarHBondContact O-CB 3.49Å; L271-E292 HydrophobicContact CB-CB 4.16Å; L271-E292 HydrophobicContact CD2-CB 3.97Å; L271-E292 PolarHBondContact O-N 3.42Å; L271-V295 HydrophobicContact CD1-CG2 3.56Å
272E96.4Very high90.8Very high119 Ų11951.8 Ų51.856%0.55626%0.26SS*.SBendtrans59-143.8-174.1-60.5-57.8139.900112.6G251 D291G251-E272 WeakPolarHBondContact CA-O 3.49Å; E272-D291 HydrophobicContact CB-CB 3.76Å
273R98.1Very high89.9Confident72 Ų7248 Ų4827%0.27225%0.246SC..  trans-63.2140.2-169.5-65178.8-71.7-170.9-8.1112.5E249 W275 Y290 D291E249-R273 HydrophobicContact CB-CB 4.46Å; E249-R273 HydrophobicContact CB-CG 3.99Å; E249-R273 HydrophobicContact CG-CG 4.4Å; E249-R273 WeakPolarHBondContact O-CG 3.33Å; E249-R273 IonicContact OE2-NH1 3.87Å; R273-W275 HydrophobicContact CB-CZ2 4.49Å; R273-W275 VanDerWaalsContact CZ-CZ2 3.45Å; R273-Y290 CarbonylContact O-C 3.55Å; R273-Y290 WeakPolarHBondContact O-CA 3.28Å; R273-D291 IonicContact CZ-OD2 2.79Å; R273-D291 VanDerWaalsContact CZ-OD2 3.32Å; R273-D291 IonicContact NE-OD1 2.59Å; R273-D291 IonicContact NE-OD2 3.56Å; R273-D291 PolarHBondContact NE-OD2 3.26Å; R273-D291 IonicContact NH2-OD1 2.78Å; R273-D291 PolarHBondContact NH2-OD1 3.46Å; R273-D291 IonicContact NH2-OD2 3.27Å; R273-D291 PolarHBondContact NH2-OD2 2.92Å; R273-D291 PolarHBondContact O-N 3.43Å
274V98.3Very high89.2Confident0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-84.8132.5166.3-178.40000108S233 S248 V253 M277 I288 Y290S233-V274 VanDerWaalsContact CB-O 3.29Å; S233-V274 WeakPolarHBondContact CB-O 3.39Å; S233-V274 PolarHBondContact OG-O 2.98Å; S248-V274 WeakPolarHBondContact O-CB 3.35Å; S248-V274 PolarHBondContact O-N 3.07Å; S248-V274 VanDerWaalsContact O-N 3.13Å; V253-V274 HydrophobicContact CG2-CG1 4.23Å; V253-V274 HydrophobicContact CG2-CG2 3.72Å; V274-M277 HydrophobicContact CG1-CG 4.16Å; V274-I288 HydrophobicContact CG1-CG2 3.79Å; V274-Y290 HydrophobicContact CB-CE1 4.48Å; V274-Y290 HydrophobicContact CG2-CD1 3.85Å; V274-Y290 HydrophobicContact CG2-CE1 3.36Å
275W98.2Very high89.3Confident44 Ų4445.4 Ų45.417%0.16723%0.233CC..EExtended strand (participates in β ladder)trans-110.9-33.4178.1-69.8109.9000113.7V18 K19 R273 G289 D291V18-W275 WeakPolarHBondContact O-CB 3.44Å; K19-W275 HydrophobicContact CD-CG 4.48Å; R273-W275 HydrophobicContact CB-CZ2 4.49Å; R273-W275 VanDerWaalsContact CZ-CZ2 3.45Å; W275-G289 PolarHBondContact N-O 2.9Å; W275-D291 PolarHBondContact NE1-OD1 3.22Å
276T98Very high89.7Confident16 Ų1643.5 Ų43.510%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-153.3148-169-177.50000109.8V18 K19 V21 I288 G289V18-T276 HydrophobicContact CG1-CG2 4.45Å; K19-T276 WeakPolarHBondContact O-CB 3.48Å; V21-T276 HydrophobicContact CB-CG2 4.34Å; V21-T276 HydrophobicContact CG1-CG2 4.05Å; V21-T276 HydrophobicContact CG2-CG2 3.82Å; T276-I288 WeakPolarHBondContact O-CA 3.38Å; T276-G289 PolarHBondContact O-N 3.17Å
277M97.6Very high89.9Confident8 Ų840.4 Ų40.44%0.03920%0.201CC..EExtended strand (participates in β ladder)trans-135.3155.3172.9-60.6-179.161.200108.2S234 L236 L245 V253 V274 V286 G287 I288S234-M277 PolarHBondContact OG-N 2.75Å; L236-M277 VanDerWaalsContact CD1-C 3.49Å; L236-M277 HydrophobicContact CD1-CB 3.4Å; L236-M277 HydrophobicContact CG-CB 4.35Å; L245-M277 HydrophobicContact CB-CE 3.65Å; L245-M277 HydrophobicContact CB-SD 4.47Å; L245-M277 HydrophobicContact CD1-CE 4.38Å; L245-M277 HydrophobicContact CD2-CE 3.96Å; L245-M277 HydrophobicContact CG-CE 4.21Å; V253-M277 HydrophobicContact CG1-CE 3.47Å; V253-M277 VanDerWaalsContact CG1-CE 3.47Å; V253-M277 HydrophobicContact CG1-SD 3.9Å; V253-M277 HydrophobicContact CG2-CE 4.45Å; V253-M277 HydrophobicContact CG2-SD 4.18Å; V274-M277 HydrophobicContact CG1-CG 4.16Å; M277-V286 HydrophobicContact CE-CG1 3.72Å; M277-G287 CarbonylContact C-O 3.5Å; M277-G287 VanDerWaalsContact CA-O 3.26Å; M277-G287 WeakPolarHBondContact CA-O 3.24Å; M277-I288 HydrophobicContact CE-CG1 4.31Å; M277-I288 HydrophobicContact CG-CG1 4.43Å; M277-I288 HydrophobicContact CG-CG2 4.21Å
278T96.2Very high90.2Very high13 Ų1339.1 Ų39.18%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-144.3147.2170.1-171.10000110.3V21 L23 V286 G287V21-T278 HydrophobicContact CB-CG2 4.18Å; V21-T278 HydrophobicContact CG2-CG2 3.66Å; L23-T278 HydrophobicContact CD1-CG2 4.09Å; L23-T278 HydrophobicContact CG-CG2 3.8Å; T278-V286 CarbonylContact O-C 3.52Å; T278-V286 WeakPolarHBondContact O-CA 3.48Å; T278-G287 PolarHBondContact N-O 3.17Å; T278-G287 PolarHBondContact O-N 2.95Å
279C91.6Very high90.5Very high23 Ų2334.6 Ų34.616%0.15517%0.17CC..EExtended strand (participates in β ladder)trans-141.7147.9171.155.40000108.3P239 V286P239-C279 WeakPolarHBondContact CD-SG 3.38Å; C279-V286 HydrophobicContact CB-CG2 4.25Å
280Q83.3Confident90.9Very high50 Ų5031.8 Ų31.823%0.23416%0.159CC..  trans-128.2140-178.2-163.4-174.1-11.200111.4L23 H24 S25 K283L23-Q280 HydrophobicContact CB-CB 4.34Å; L23-Q280 HydrophobicContact CD1-CB 4.28Å; L23-Q280 PolarHBondContact O-OE1 3.28Å; H24-Q280 PolarHBondContact O-OE1 3.18Å; S25-Q280 VanDerWaalsContact CB-NE2 3.25Å; Q280-K283 PolarHBondContact O-N 3.39Å
281R75.3Confident91.3Very high186 Ų18630.8 Ų30.870%0.70214%0.143SC*.THydrogen-bonded Turntrans-59.1138.2173-166177.8-173.3177.14.2110.4P239 E240 K283P239-R281 HydrophobicContact CB-CB 3.95Å; P239-R281 HydrophobicContact CB-CG 4.34Å; P239-R281 HydrophobicContact CG-CB 4.38Å; E240-R281 HydrophobicContact CG-CG 4.33Å; R281-K283 PolarHBondContact O-N 2.82Å
282G69.1Low91.4Very high24 Ų2434.2 Ų34.225%0.24716%0.159CC..THydrogen-bonded Turntrans83.5-10.1-17300000114E240E240-G282 VanDerWaalsContact OE1-CA 3.32Å; E240-G282 WeakPolarHBondContact OE1-CA 3.33Å; E240-G282 PolarHBondContact OE1-N 2.84Å
283K71.6Confident91.4Very high23 Ų2328.5 Ų28.510%0.113%0.132CC..  trans-120.1122.5178.9-62.2-169.3175.6-168.40109.5H24 S25 T26 E27 Q280 R281 I285H24-K283 WeakPolarHBondContact O-CE 3.24Å; H24-K283 PolarHBondContact O-NZ 3.47Å; S25-K283 VanDerWaalsContact O-CE 3.28Å; S25-K283 WeakPolarHBondContact O-CE 3.44Å; T26-K283 PolarHBondContact O-NZ 3.41Å; E27-K283 PolarHBondContact O-NZ 2.94Å; Q280-K283 PolarHBondContact O-N 3.39Å; R281-K283 PolarHBondContact O-N 2.82Å; K283-I285 PolarHBondContact O-N 2.71Å
284Q75.5Confident91.4Very high22 Ų2225.1 Ų25.110%0.10312%0.119CC..  trans-74.520.3168.3-65.8-58.4-1800112.2H238 E240 S298 L299H238-Q284 PolarHBondContact CE1-OE1 3.22Å; E240-Q284 PolarHBondContact OE2-NE2 3.38Å; E240-Q284 VanDerWaalsContact OE2-NE2 3.14Å; Q284-S298 CarbonylContact O-C 3.51Å; Q284-S298 WeakPolarHBondContact O-CA 3.44Å; Q284-L299 WeakPolarHBondContact CB-O 3.47Å; Q284-L299 PolarHBondContact O-N 3.36Å; Q284-L299 PolarHBondContact OE1-O 2.65Å
285I89.2Confident91.3Very high22 Ų2225.1 Ų25.111%0.11312%0.119CC..EExtended strand (participates in β ladder)trans-101.2133.2-176-62.5178.4000109L23 I44 K283 A296 I297L23-I285 HydrophobicContact CD1-CB 4.37Å; L23-I285 HydrophobicContact CD1-CG2 4.26Å; L23-I285 WeakPolarHBondContact CD1-O 3.31Å; L23-I285 HydrophobicContact CD2-CG2 4.04Å; I44-I285 HydrophobicContact CD1-CD1 4.2Å; I44-I285 HydrophobicContact CD1-CG2 4.06Å; I44-I285 HydrophobicContact CG2-CD1 4.3Å; K283-I285 PolarHBondContact O-N 2.71Å; I285-A296 HydrophobicContact CG2-CB 4.06Å; I285-I297 CarbonylContact C-O 3.49Å; I285-I297 VanDerWaalsContact CA-O 3.25Å; I285-I297 WeakPolarHBondContact CA-O 3.39Å
286V94.6Very high91.2Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-112.1120.1167.9-179.70000108.4L245 M277 T278 C279 I288 A296 I297 L299L245-V286 HydrophobicContact CD1-CG1 4.24Å; L245-V286 HydrophobicContact CD1-CG2 3.81Å; M277-V286 HydrophobicContact CE-CG1 3.72Å; T278-V286 CarbonylContact O-C 3.52Å; T278-V286 WeakPolarHBondContact O-CA 3.48Å; C279-V286 HydrophobicContact CB-CG2 4.25Å; V286-I288 HydrophobicContact CG1-CG1 4.03Å; V286-A296 WeakPolarHBondContact O-CA 3.45Å; V286-I297 HydrophobicContact CB-CD1 4.19Å; V286-I297 HydrophobicContact CB-CG1 3.76Å; V286-I297 PolarHBondContact N-O 2.81Å; V286-I297 PolarHBondContact O-N 3.26Å; V286-L299 HydrophobicContact CB-CD1 4.49Å; V286-L299 HydrophobicContact CG2-CD1 3.36Å; V286-L299 HydrophobicContact CG2-CG 4.01Å
287G96.8Very high91Very high0 Ų022.2 Ų22.20%011%0.107CC..EExtended strand (participates in β ladder)trans-87.4139.5169.800000110.1M277 T278 V295M277-G287 CarbonylContact C-O 3.5Å; M277-G287 VanDerWaalsContact CA-O 3.26Å; M277-G287 WeakPolarHBondContact CA-O 3.24Å; T278-G287 PolarHBondContact N-O 3.17Å; T278-G287 PolarHBondContact O-N 2.95Å; G287-V295 CarbonylContact C-O 3.37Å
288I98.1Very high90.5Very high0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-136.7128.7-177.5-49.7163.3000108.8V253 V274 T276 M277 V286 Y290 T294 V295 I297V253-I288 HydrophobicContact CG2-CD1 4.13Å; V253-I288 HydrophobicContact CG2-CG2 4.13Å; V274-I288 HydrophobicContact CG1-CG2 3.79Å; T276-I288 WeakPolarHBondContact O-CA 3.38Å; M277-I288 HydrophobicContact CE-CG1 4.31Å; M277-I288 HydrophobicContact CG-CG1 4.43Å; M277-I288 HydrophobicContact CG-CG2 4.21Å; V286-I288 HydrophobicContact CG1-CG1 4.03Å; I288-Y290 HydrophobicContact CB-CD2 4.41Å; I288-Y290 HydrophobicContact CB-CE2 3.72Å; I288-Y290 HydrophobicContact CG2-CD2 3.88Å; I288-Y290 HydrophobicContact CG2-CE1 4.48Å; I288-Y290 HydrophobicContact CG2-CE2 3.24Å; I288-T294 WeakPolarHBondContact O-CA 3.28Å; I288-V295 PolarHBondContact N-O 3.38Å; I288-V295 PolarHBondContact O-N 3.47Å; I288-I297 HydrophobicContact CD1-CD1 4.05Å; I288-I297 HydrophobicContact CD1-CG1 4.42Å
289G98.2Very high89.7Confident0 Ų021.4 Ų21.40%010%0.102CC..EExtended strand (participates in β ladder)trans-104.4130.4173.500000111.5W275 T276W275-G289 PolarHBondContact N-O 2.9Å; T276-G289 PolarHBondContact O-N 3.17Å
290Y98.4Very high88.5Confident0 Ų021.1 Ų21.10%010%0.103CC..EExtended strand (participates in β ladder)trans-118172.3-178.4-69.4-94.6000111.7V18 L271 R273 V274 I288 E292 G293 V295V18-Y290 PolarHBondContact N-O 3.34Å; L271-Y290 HydrophobicContact CB-CD1 3.69Å; L271-Y290 HydrophobicContact CB-CD2 4.26Å; L271-Y290 HydrophobicContact CB-CE1 4.39Å; L271-Y290 HydrophobicContact CB-CG 3.62Å; L271-Y290 HydrophobicContact CD1-CD2 3.86Å; L271-Y290 HydrophobicContact CD1-CE2 4.3Å; L271-Y290 HydrophobicContact CD1-CG 4.09Å; L271-Y290 HydrophobicContact CG-CG 4.5Å; L271-Y290 WeakPolarHBondContact O-CB 3.49Å; R273-Y290 CarbonylContact O-C 3.55Å; R273-Y290 WeakPolarHBondContact O-CA 3.28Å; V274-Y290 HydrophobicContact CB-CE1 4.48Å; V274-Y290 HydrophobicContact CG2-CD1 3.85Å; V274-Y290 HydrophobicContact CG2-CE1 3.36Å; I288-Y290 HydrophobicContact CB-CD2 4.41Å; I288-Y290 HydrophobicContact CB-CE2 3.72Å; I288-Y290 HydrophobicContact CG2-CD2 3.88Å; I288-Y290 HydrophobicContact CG2-CE1 4.48Å; I288-Y290 HydrophobicContact CG2-CE2 3.24Å; Y290-E292 VanDerWaalsContact C-N 3.27Å; Y290-E292 PolarHBondContact O-N 3.18Å; Y290-G293 WeakPolarHBondContact CB-O 3.18Å; Y290-G293 PolarHBondContact N-O 2.97Å; Y290-V295 HydrophobicContact CD2-CG2 4.11Å; Y290-V295 HydrophobicContact CE2-CB 4Å; Y290-V295 HydrophobicContact CE2-CG2 3.78Å
291D98Very high87.4Confident24 Ų2425.8 Ų25.813%0.12812%0.119CC..THydrogen-bonded Turntrans-56.3-39.2164.2-95.2-17.3000112.7R17 E272 R273 W275R17-D291 WeakPolarHBondContact CA-O 3.13Å; R17-D291 WeakPolarHBondContact CD-OD1 3.35Å; R17-D291 WeakPolarHBondContact CG-OD1 3.47Å; R17-D291 IonicContact CZ-OD1 3.52Å; R17-D291 PolarHBondContact N-O 2.81Å; R17-D291 VanDerWaalsContact N-O 3.11Å; R17-D291 IonicContact NE-OD1 3.34Å; R17-D291 PolarHBondContact NE-OD1 3.29Å; R17-D291 IonicContact NH2-OD1 3.9Å; E272-D291 HydrophobicContact CB-CB 3.76Å; R273-D291 IonicContact CZ-OD2 2.79Å; R273-D291 VanDerWaalsContact CZ-OD2 3.32Å; R273-D291 IonicContact NE-OD1 2.59Å; R273-D291 IonicContact NE-OD2 3.56Å; R273-D291 PolarHBondContact NE-OD2 3.26Å; R273-D291 IonicContact NH2-OD1 2.78Å; R273-D291 PolarHBondContact NH2-OD1 3.46Å; R273-D291 IonicContact NH2-OD2 3.27Å; R273-D291 PolarHBondContact NH2-OD2 2.92Å; R273-D291 PolarHBondContact O-N 3.43Å; W275-D291 PolarHBondContact NE1-OD1 3.22Å
292E97.3Very high86.9Confident72 Ų7219.9 Ų19.934%0.33610%0.101SC..THydrogen-bonded Turntrans-109.734.6-179.6-60.2-164.8169.300113.8R14 S15 L271 Y290R14-E292 WeakPolarHBondContact CA-O 3.5Å; R14-E292 IonicContact CZ-OE2 2.78Å; R14-E292 IonicContact NH1-OE2 3.86Å; R14-E292 PolarHBondContact NH1-OE2 3.36Å; R14-E292 IonicContact NH2-OE2 3.28Å; S15-E292 CarbonylContact O-C 3.56Å; L271-E292 HydrophobicContact CB-CB 4.16Å; L271-E292 HydrophobicContact CD2-CB 3.97Å; L271-E292 PolarHBondContact O-N 3.42Å; Y290-E292 VanDerWaalsContact C-N 3.27Å; Y290-E292 PolarHBondContact O-N 3.18Å
293G96.6Very high87.4Confident0 Ų023 Ų230%011%0.109CC..EExtended strand (participates in β ladder)trans122.1-154.516500000116.5S13 S15 V18 Y290S13-G293 CarbonylContact O-C 3.54Å; S13-G293 WeakPolarHBondContact O-CA 3.44Å; S15-G293 PolarHBondContact O-N 2.89Å; S15-G293 WeakPolarHBondContact OG-CA 3.38Å; V18-G293 WeakPolarHBondContact CG2-O 3.43Å; Y290-G293 WeakPolarHBondContact CB-O 3.18Å; Y290-G293 PolarHBondContact N-O 2.97Å
294T97.7Very high88Confident0 Ų022.8 Ų22.80%011%0.11CC..EExtended strand (participates in β ladder)trans-119.5136.6-169.3-53.70000111.5S13 V18 V21 I30 A32 I288S13-T294 PolarHBondContact N-O 3.04Å; S13-T294 PolarHBondContact O-N 3.29Å; V18-T294 WeakPolarHBondContact CG2-OG1 3.47Å; V21-T294 HydrophobicContact CG1-CG2 4.26Å; I30-T294 HydrophobicContact CD1-CG2 3.8Å; I30-T294 HydrophobicContact CG1-CG2 4.48Å; A32-T294 HydrophobicContact CB-CG2 4.37Å; A32-T294 VanDerWaalsContact CB-OG1 3.27Å; A32-T294 WeakPolarHBondContact CB-OG1 3.31Å; I288-T294 WeakPolarHBondContact O-CA 3.28Å
295V97Very high88.6Confident0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-125.4139.7173.31770000109.6R9 L11 L12 Y269 L271 G287 I288 Y290 I297R9-V295 HydrophobicContact CG-CG1 4.28Å; L11-V295 WeakPolarHBondContact O-CA 3.36Å; L11-V295 WeakPolarHBondContact O-CG1 3.45Å; L12-V295 HydrophobicContact CB-CG2 4.48Å; L12-V295 HydrophobicContact CD1-CG2 4.38Å; L12-V295 HydrophobicContact CG-CG2 4.18Å; Y269-V295 HydrophobicContact CD2-CG1 4.05Å; Y269-V295 HydrophobicContact CD2-CG2 4.31Å; Y269-V295 HydrophobicContact CE2-CG1 3.77Å; L271-V295 HydrophobicContact CD1-CG2 3.56Å; G287-V295 CarbonylContact C-O 3.37Å; I288-V295 PolarHBondContact N-O 3.38Å; I288-V295 PolarHBondContact O-N 3.47Å; Y290-V295 HydrophobicContact CD2-CG2 4.11Å; Y290-V295 HydrophobicContact CE2-CB 4Å; Y290-V295 HydrophobicContact CE2-CG2 3.78Å; V295-I297 HydrophobicContact CG1-CG2 3.87Å
296A95.5Very high88.7Confident0 Ų022.2 Ų22.20%011%0.11CC..EExtended strand (participates in β ladder)trans-119.5128.9164.900000109.6K10 L11 I44 I285 V286K10-A296 PolarHBondContact N-O 2.99Å; L11-A296 HydrophobicContact CB-CB 3.81Å; L11-A296 PolarHBondContact N-O 2.93Å; L11-A296 PolarHBondContact O-N 3.2Å; I44-A296 HydrophobicContact CD1-CB 4.22Å; I44-A296 HydrophobicContact CG1-CB 4.28Å; I44-A296 HydrophobicContact CG2-CB 3.81Å; I285-A296 HydrophobicContact CG2-CB 4.06Å; V286-A296 WeakPolarHBondContact O-CA 3.45Å
297I92.9Very high88.7Confident0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-116.2143.7176.362.2178.7000109.6I7 K8 F255 L267 Y269 I285 V286 I288 V295 L299I7-I297 HydrophobicContact CG2-CB 4.22Å; I7-I297 HydrophobicContact CG2-CD1 4.18Å; I7-I297 HydrophobicContact CG2-CG2 4.47Å; K8-I297 CarbonylContact O-C 3.52Å; K8-I297 VanDerWaalsContact O-CA 3.31Å; K8-I297 WeakPolarHBondContact O-CA 3.31Å; F255-I297 HydrophobicContact CZ-CD1 3.84Å; L267-I297 HydrophobicContact CD1-CD1 3.75Å; Y269-I297 HydrophobicContact CE2-CG2 4Å; Y269-I297 VanDerWaalsContact OH-CG2 3.27Å; Y269-I297 WeakPolarHBondContact OH-CG2 3.39Å; I285-I297 CarbonylContact C-O 3.49Å; I285-I297 VanDerWaalsContact CA-O 3.25Å; I285-I297 WeakPolarHBondContact CA-O 3.39Å; V286-I297 HydrophobicContact CB-CD1 4.19Å; V286-I297 HydrophobicContact CB-CG1 3.76Å; V286-I297 PolarHBondContact N-O 2.81Å; V286-I297 PolarHBondContact O-N 3.26Å; I288-I297 HydrophobicContact CD1-CD1 4.05Å; I288-I297 HydrophobicContact CD1-CG1 4.42Å; V295-I297 HydrophobicContact CG1-CG2 3.87Å; I297-L299 HydrophobicContact CD1-CD2 3.87Å; I297-L299 HydrophobicContact CG1-CD2 4.24Å
298S87.3Confident88.6Confident4 Ų422.6 Ų22.63%0.02811%0.112CC..EExtended strand (participates in β ladder)trans-95.6139.316480.70000110.6I7 K8 K10 Q284I7-S298 WeakPolarHBondContact CA-O 3.48Å; K8-S298 PolarHBondContact N-O 2.65Å; K8-S298 PolarHBondContact O-N 2.94Å; K10-S298 WeakPolarHBondContact CE-OG 3.48Å; Q284-S298 CarbonylContact O-C 3.51Å; Q284-S298 WeakPolarHBondContact O-CA 3.44Å
299L79.6Confident88.3Confident0 Ų023.6 Ų23.60%012%0.117CC..EExtended strand (participates in β ladder)trans-111.2100.9-179.7-60-176.7000109.3I7 L241 I243 F255 Q284 V286 I297I7-L299 HydrophobicContact CB-CD2 4.49Å; I7-L299 HydrophobicContact CG1-CD2 3.86Å; I7-L299 HydrophobicContact CG2-CD2 4.24Å; L241-L299 HydrophobicContact CD1-CB 3.55Å; L241-L299 HydrophobicContact CD1-CD1 4.19Å; I243-L299 HydrophobicContact CD1-CD1 3.84Å; F255-L299 HydrophobicContact CE1-CD1 3.84Å; F255-L299 HydrophobicContact CE1-CD2 3.52Å; F255-L299 HydrophobicContact CE1-CG 4.36Å; F255-L299 HydrophobicContact CZ-CD2 3.98Å; Q284-L299 WeakPolarHBondContact CB-O 3.47Å; Q284-L299 PolarHBondContact O-N 3.36Å; Q284-L299 PolarHBondContact OE1-O 2.65Å; V286-L299 HydrophobicContact CB-CD1 4.49Å; V286-L299 HydrophobicContact CG2-CD1 3.36Å; V286-L299 HydrophobicContact CG2-CG 4.01Å; I297-L299 HydrophobicContact CD1-CD2 3.87Å; I297-L299 HydrophobicContact CG1-CD2 4.24Å
300G66.7Low87.9Confident17 Ų1727.7 Ų27.718%0.17515%0.151CC..SBendtrans104.1179.217800000113.8D6D6-G300 PolarHBondContact O-N 3.2Å
301R60.5Low87.4Confident148 Ų14829.9 Ų29.956%0.55817%0.166SC*.  trans-86.4142.8-175.5-68.6-175.6175-177.40.7110.1E303R301-E303 PolarHBondContact O-N 3.05Å
302D64.7Low87.1Confident61 Ų6128.7 Ų28.733%0.32616%0.16SC..SBendtrans-71.7-7.7173.8-68-46.7000112.5K10 Y573 R589K10-D302 IonicContact NZ-OD2 3.72Å; D302-Y573 VanDerWaalsContact C-OH 3.3Å; D302-Y573 WeakPolarHBondContact O-CE2 3.48Å; D302-Y573 PolarHBondContact O-OH 2.92Å; D302-R589 IonicContact OD1-NH1 2.91Å; D302-R589 PolarHBondContact OD1-NH1 3.08Å
303E78.1Confident86.8Confident91 Ų9126.7 Ų26.743%0.42515%0.15SC..SBendtrans-83.1127.2179.9-175.7171.4-162.100111.3R301 Y573R301-E303 PolarHBondContact O-N 3.05Å; E303-Y573 VanDerWaalsContact CA-CZ 3.49Å; E303-Y573 WeakPolarHBondContact CA-OH 3.37Å; E303-Y573 HydrophobicContact CB-CD1 4.46Å; E303-Y573 HydrophobicContact CB-CE1 3.76Å; E303-Y573 HydrophobicContact CG-CD1 3.85Å; E303-Y573 HydrophobicContact CG-CE1 3.62Å; E303-Y573 PolarHBondContact N-OH 2.86Å
304P84.3Confident86.7Confident17 Ų1726.7 Ų26.711%0.1115%0.15CC..  trans-70.3136.2178.527.2-33.5000112M306 Y573P304-M306 VanDerWaalsContact C-N 3.28Å; P304-M306 HydrophobicContact CB-CE 3.61Å; P304-M306 HydrophobicContact CB-CG 3.66Å; P304-M306 HydrophobicContact CB-SD 3.72Å; P304-M306 HydrophobicContact CG-CE 4.13Å; P304-M306 HydrophobicContact CG-CG 3.72Å; P304-M306 HydrophobicContact CG-SD 3.61Å; P304-M306 PolarHBondContact O-N 3.38Å; P304-Y573 HydrophobicContact CG-CD2 3.77Å; P304-Y573 HydrophobicContact CG-CE2 4.42Å; P304-Y573 HydrophobicContact CG-CG 4.01Å
305A88.5Confident86.5Confident15 Ų1526.7 Ų26.712%0.12415%0.15CC..  trans-75.180.7168.200000110.1C316 A317 P360 I363A305-C316 WeakPolarHBondContact O-CA 2.89Å; A305-A317 HydrophobicContact CB-CB 3.98Å; A305-A317 PolarHBondContact O-N 3.16Å; A305-P360 HydrophobicContact CB-CB 4.36Å; A305-I363 HydrophobicContact CB-CG1 4.25Å; A305-I363 WeakPolarHBondContact O-CD1 3.23Å
306M92.4Very high86.3Confident18 Ų1826.7 Ų26.79%0.08915%0.15CC..EExtended strand (participates in β ladder)trans-145.4149.6-17859178.74600113.1P304 V315 C316 L575 D588 L591 I593P304-M306 VanDerWaalsContact C-N 3.28Å; P304-M306 HydrophobicContact CB-CE 3.61Å; P304-M306 HydrophobicContact CB-CG 3.66Å; P304-M306 HydrophobicContact CB-SD 3.72Å; P304-M306 HydrophobicContact CG-CE 4.13Å; P304-M306 HydrophobicContact CG-CG 3.72Å; P304-M306 HydrophobicContact CG-SD 3.61Å; P304-M306 PolarHBondContact O-N 3.38Å; M306-V315 WeakPolarHBondContact CA-O 3.19Å; M306-C316 HydrophobicContact CB-CB 4.06Å; M306-L575 HydrophobicContact CG-CD2 3.54Å; M306-L575 HydrophobicContact SD-CD1 3.69Å; M306-L575 HydrophobicContact SD-CD2 3.35Å; M306-L575 WeakPolarHBondContact SD-CD2 3.38Å; M306-L575 HydrophobicContact SD-CG 4.1Å; M306-D588 WeakPolarHBondContact CE-O 3.35Å; M306-L591 HydrophobicContact CE-CD2 3.54Å; M306-I593 HydrophobicContact CE-CD1 4.4Å
307S94.3Very high85.8Confident3 Ų327.3 Ų27.32%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-146137.3177.5-1700000111.5L314 V315 I363 H365S307-L314 WeakPolarHBondContact O-CA 3.29Å; S307-V315 PolarHBondContact N-O 3.46Å; S307-V315 PolarHBondContact O-N 3.23Å; S307-I363 WeakPolarHBondContact CB-O 3.47Å; S307-H365 VanDerWaalsContact CB-ND1 3.34Å; S307-H365 WeakPolarHBondContact CB-ND1 3.49Å; S307-H365 PolarHBondContact O-CE1 3.36Å; S307-H365 VanDerWaalsContact O-CE1 3.27Å; S307-H365 PolarHBondContact O-ND1 3.26Å; S307-H365 PolarHBondContact OG-N 3.24Å; S307-H365 PolarHBondContact OG-ND1 2.82Å
308M94.1Very high85Confident5 Ų532.3 Ų32.33%0.02517%0.174CC..EExtended strand (participates in β ladder)trans-114.1133.8172.3-167-176.570.400110.2K313 L314 L327 L575 L578 I585M308-K313 WeakPolarHBondContact CA-O 3.36Å; M308-L314 HydrophobicContact CB-CD1 3.91Å; M308-L314 HydrophobicContact CG-CD1 4.45Å; M308-L327 HydrophobicContact SD-CD1 3.57Å; M308-L327 VanDerWaalsContact SD-CD1 3.57Å; M308-L575 HydrophobicContact CB-CB 4.09Å; M308-L578 HydrophobicContact CE-CD2 4.24Å; M308-L578 HydrophobicContact SD-CD2 4.38Å; M308-I585 HydrophobicContact CE-CB 4.18Å; M308-I585 HydrophobicContact CE-CG1 4.21Å; M308-I585 HydrophobicContact SD-CB 4.11Å; M308-I585 HydrophobicContact SD-CG1 4.09Å; M308-I585 HydrophobicContact SD-CG2 4.19Å
309D92.6Very high84.2Confident21 Ų2134.3 Ų34.311%0.11218%0.183CC..  trans-81.4168.9168.978.55.5000112S311 G312 K313D309-S311 VanDerWaalsContact CG-OG 3.23Å; D309-S311 PolarHBondContact O-N 2.91Å; D309-S311 VanDerWaalsContact OD1-CA 3.3Å; D309-S311 WeakPolarHBondContact OD1-CA 3.34Å; D309-S311 WeakPolarHBondContact OD1-CB 3.48Å; D309-S311 PolarHBondContact OD1-N 2.65Å; D309-S311 PolarHBondContact OD1-OG 2.82Å; D309-S311 PolarHBondContact OD2-OG 3.27Å; D309-G312 PolarHBondContact O-N 3.02Å; D309-G312 VanDerWaalsContact O-N 3.1Å; D309-G312 PolarHBondContact OD1-N 3.44Å; D309-G312 VanDerWaalsContact OD1-N 3.1Å; D309-K313 PolarHBondContact N-O 2.82Å; D309-K313 VanDerWaalsContact OD1-CB 3.27Å; D309-K313 WeakPolarHBondContact OD1-CB 3.43Å; D309-K313 PolarHBondContact OD1-N 2.79Å; D309-K313 WeakPolarHBondContact OD2-CB 3.34Å
310A88.8Confident83.9Confident86 Ų8636.2 Ų36.271%0.71120%0.196SC*.THydrogen-bonded Turntrans-64.5-9.5178.700000114.1
311S89Confident84.4Confident45 Ų4539.1 Ų39.132%0.31521%0.205SC..THydrogen-bonded Turntrans-91.1-6.6177.183.40000113.4D309 R328D309-S311 VanDerWaalsContact CG-OG 3.23Å; D309-S311 PolarHBondContact O-N 2.91Å; D309-S311 VanDerWaalsContact OD1-CA 3.3Å; D309-S311 WeakPolarHBondContact OD1-CA 3.34Å; D309-S311 WeakPolarHBondContact OD1-CB 3.48Å; D309-S311 PolarHBondContact OD1-N 2.65Å; D309-S311 PolarHBondContact OD1-OG 2.82Å; D309-S311 PolarHBondContact OD2-OG 3.27Å; S311-R328 VanDerWaalsContact O-CD 3.27Å; S311-R328 WeakPolarHBondContact O-CD 3.22Å; S311-R328 WeakPolarHBondContact O-CG 3.26Å; S311-R328 PolarHBondContact O-NE 3.49Å
312G90.9Very high85.6Confident0 Ų032.4 Ų32.40%018%0.18CC..SBendtrans86.716.3-174.600000113.8D309 L327 L578D309-G312 PolarHBondContact O-N 3.02Å; D309-G312 VanDerWaalsContact O-N 3.1Å; D309-G312 PolarHBondContact OD1-N 3.44Å; D309-G312 VanDerWaalsContact OD1-N 3.1Å; G312-L327 PolarHBondContact O-N 3.21Å; G312-L578 VanDerWaalsContact CA-CD2 3.5Å
313K92.1Very high86.8Confident30 Ų3029.5 Ų29.513%0.1317%0.165CC..EExtended strand (participates in β ladder)trans-84.7119.2174.5-155.3-177.7-167.5-148.90109.3M308 D309 Q324 A385M308-K313 WeakPolarHBondContact CA-O 3.36Å; D309-K313 PolarHBondContact N-O 2.82Å; D309-K313 VanDerWaalsContact OD1-CB 3.27Å; D309-K313 WeakPolarHBondContact OD1-CB 3.43Å; D309-K313 PolarHBondContact OD1-N 2.79Å; D309-K313 WeakPolarHBondContact OD2-CB 3.34Å; K313-Q324 VanDerWaalsContact NZ-CD 3.33Å; K313-A385 PolarHBondContact NZ-O 3.48Å
314L93.8Very high87.5Confident0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-104.1132.7-176.9-172.972.4000109.5S307 M308 C316 Q324 A325 F350 L575 I593S307-L314 WeakPolarHBondContact O-CA 3.29Å; M308-L314 HydrophobicContact CB-CD1 3.91Å; M308-L314 HydrophobicContact CG-CD1 4.45Å; L314-C316 WeakPolarHBondContact CD2-SG 3.19Å; L314-C316 WeakPolarHBondContact CG-SG 3.25Å; L314-Q324 CarbonylContact O-C 3.58Å; L314-Q324 VanDerWaalsContact O-CA 3.3Å; L314-Q324 WeakPolarHBondContact O-CA 3.4Å; L314-Q324 VanDerWaalsContact O-CG 3.29Å; L314-Q324 WeakPolarHBondContact O-CG 2.97Å; L314-A325 HydrophobicContact CB-CB 4.28Å; L314-A325 HydrophobicContact CD2-CB 4.41Å; L314-A325 PolarHBondContact N-O 2.63Å; L314-A325 PolarHBondContact O-N 3.37Å; L314-F350 HydrophobicContact CD2-CE1 3.99Å; L314-F350 HydrophobicContact CD2-CZ 4.37Å; L314-L575 HydrophobicContact CD1-CD1 3.77Å; L314-I593 HydrophobicContact CD2-CD1 3.85Å; L314-I593 HydrophobicContact CD2-CG1 4.19Å
315V93.9Very high87.8Confident0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-122.5125.2168.3179.80000107.2M306 S307 Q324 I363 V372M306-V315 WeakPolarHBondContact CA-O 3.19Å; S307-V315 PolarHBondContact N-O 3.46Å; S307-V315 PolarHBondContact O-N 3.23Å; V315-Q324 HydrophobicContact CG2-CG 4.28Å; V315-I363 HydrophobicContact CB-CG2 4.34Å; V315-I363 HydrophobicContact CG1-CD1 4.44Å; V315-I363 HydrophobicContact CG1-CG2 4.09Å; V315-V372 HydrophobicContact CB-CG2 4.47Å
316C91.9Very high87.9Confident0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-128.8156.6179.3-47.50000110.2A305 M306 L314 V323 L591A305-C316 WeakPolarHBondContact O-CA 2.89Å; M306-C316 HydrophobicContact CB-CB 4.06Å; L314-C316 WeakPolarHBondContact CD2-SG 3.19Å; L314-C316 WeakPolarHBondContact CG-SG 3.25Å; C316-V323 HydrophobicContact CB-CG2 3.86Å; C316-V323 PolarHBondContact N-O 2.87Å; C316-V323 PolarHBondContact O-N 2.87Å; C316-L591 HydrophobicContact CB-CD2 3.48Å; C316-L591 VanDerWaalsContact CB-CD2 3.48Å
317A85.2Confident87.7Confident13 Ų1328.1 Ų28.111%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-100.6128.8162.900000110A305 E321 L322 P360 I363A305-A317 HydrophobicContact CB-CB 3.98Å; A305-A317 PolarHBondContact O-N 3.16Å; A317-E321 CarbonylContact C-O 3.54Å; A317-E321 VanDerWaalsContact CA-O 3.32Å; A317-E321 WeakPolarHBondContact CA-O 3.45Å; A317-L322 HydrophobicContact CB-CD2 4.25Å; A317-P360 HydrophobicContact CB-CB 3.49Å; A317-P360 VanDerWaalsContact CB-CB 3.49Å; A317-P360 HydrophobicContact CB-CG 3.63Å; A317-I363 HydrophobicContact CB-CD1 3.73Å
318R76.4Confident87Confident105 Ų10533.1 Ų33.140%0.39618%0.175SC..EExtended strand (participates in β ladder)trans-9887.9157.8-173.8179.9-70.4176-2106S320 E321 L591R318-S320 PolarHBondContact O-N 3.36Å; R318-S320 VanDerWaalsContact O-N 3.16Å; R318-E321 PolarHBondContact N-O 2.8Å; R318-E321 PolarHBondContact O-N 3.33Å; R318-L591 HydrophobicContact CB-CD1 4.18Å
319H71.3Confident86.2Confident45 Ų4537.2 Ų37.221%0.20821%0.205CC..THydrogen-bonded Turntrans58.7-117.9-172.8-46.592.6000110.4E240 Y359 P360E240-H319 WeakPolarHBondContact CB-CD2 3.42Å; E240-H319 WeakPolarHBondContact CB-NE2 3.49Å; E240-H319 VanDerWaalsContact CG-CE1 3.42Å; E240-H319 WeakPolarHBondContact CG-CE1 3.25Å; E240-H319 WeakPolarHBondContact CG-NE2 3.28Å; E240-H319 WeakPolarHBondContact O-CB 3.24Å; E240-H319 PolarHBondContact O-CD2 3.08Å; E240-H319 IonicContact OE1-CE1 2.8Å; E240-H319 PolarHBondContact OE1-CE1 3.38Å; E240-H319 IonicContact OE1-NE2 2.63Å; E240-H319 IonicContact OE2-CD2 3.56Å; E240-H319 IonicContact OE2-CE1 3.8Å; E240-H319 PolarHBondContact OE2-CE1 3.35Å; E240-H319 IonicContact OE2-NE2 3.81Å; E240-H319 PolarHBondContact OE2-NE2 2.89Å; H319-Y359 HydrophobicContact CB-CE2 4.18Å; H319-P360 WeakPolarHBondContact O-CD 3.23Å; H319-P360 WeakPolarHBondContact O-CG 3.4Å
320S72.4Confident85.5Confident40 Ų4037.4 Ų37.428%0.2821%0.206SC..THydrogen-bonded Turntrans-82.8-8.7176.547.10000114.6R318 T355 C356R318-S320 PolarHBondContact O-N 3.36Å; R318-S320 VanDerWaalsContact O-N 3.16Å; S320-T355 WeakPolarHBondContact O-CA 3.23Å; S320-C356 PolarHBondContact O-N 3.36Å
321E77Confident84.7Confident79 Ų7937.3 Ų37.337%0.36919%0.193SC..EExtended strand (participates in β ladder)trans-91.3129.6179.6-68.7177.317300111A317 R318 T355A317-E321 CarbonylContact C-O 3.54Å; A317-E321 VanDerWaalsContact CA-O 3.32Å; A317-E321 WeakPolarHBondContact CA-O 3.45Å; R318-E321 PolarHBondContact N-O 2.8Å; R318-E321 PolarHBondContact O-N 3.33Å; E321-T355 HydrophobicContact CG-CG2 3.94Å
322L86.5Confident83.9Confident7 Ų736 Ų364%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-90.8126.6172.3-66172.9000109.2A317 M353 G354 C356 P360 I363 V374 Y383 L388A317-L322 HydrophobicContact CB-CD2 4.25Å; L322-M353 HydrophobicContact CB-CB 4.44Å; L322-M353 WeakPolarHBondContact O-CB 3.48Å; L322-M353 PolarHBondContact O-N 3.33Å; L322-G354 PolarHBondContact N-O 3Å; L322-C356 HydrophobicContact CD1-CB 4.06Å; L322-C356 HydrophobicContact CG-CB 4.17Å; L322-P360 HydrophobicContact CD2-CG 4.35Å; L322-I363 HydrophobicContact CD2-CD1 3.6Å; L322-V374 HydrophobicContact CD1-CG2 4.17Å; L322-V374 HydrophobicContact CD2-CG2 4.09Å; L322-Y383 HydrophobicContact CD1-CE2 4.24Å; L322-L388 HydrophobicContact CB-CD1 4.16Å; L322-L388 HydrophobicContact CD1-CD1 4.34Å; L322-L388 HydrophobicContact CD1-CD2 4.12Å
323V90.1Very high82.6Confident0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-121.1150.5176.4-61.40000110.1C316 F350 K351 D352 L591C316-V323 HydrophobicContact CB-CG2 3.86Å; C316-V323 PolarHBondContact N-O 2.87Å; C316-V323 PolarHBondContact O-N 2.87Å; V323-F350 HydrophobicContact CB-CB 4.24Å; V323-F350 HydrophobicContact CB-CD1 4.15Å; V323-F350 HydrophobicContact CG2-CD1 3.67Å; V323-F350 HydrophobicContact CG2-CE1 4.27Å; V323-F350 HydrophobicContact CG2-CG 4.34Å; V323-K351 WeakPolarHBondContact CA-O 3.34Å; V323-D352 WeakPolarHBondContact CG1-OD1 3.44Å; V323-L591 HydrophobicContact CG2-CD1 4.19Å
324Q91.8Very high80.8Confident28 Ų2839.9 Ų39.913%0.13122%0.217CC..EExtended strand (participates in β ladder)trans-127.4140.1-179.8-166.4-155.6-78.500110.2K313 L314 V315 K351 M353K313-Q324 VanDerWaalsContact NZ-CD 3.33Å; L314-Q324 CarbonylContact O-C 3.58Å; L314-Q324 VanDerWaalsContact O-CA 3.3Å; L314-Q324 WeakPolarHBondContact O-CA 3.4Å; L314-Q324 VanDerWaalsContact O-CG 3.29Å; L314-Q324 WeakPolarHBondContact O-CG 2.97Å; V315-Q324 HydrophobicContact CG2-CG 4.28Å; Q324-K351 PolarHBondContact N-O 3.2Å; Q324-K351 PolarHBondContact O-N 3.29Å; Q324-M353 HydrophobicContact CB-CG 3.73Å; Q324-M353 HydrophobicContact CB-SD 4.15Å
325A91.6Very high78.6Confident3 Ų347.7 Ų47.73%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-131.4159.5169.700000111L314 V348 F350L314-A325 HydrophobicContact CB-CB 4.28Å; L314-A325 HydrophobicContact CD2-CB 4.41Å; L314-A325 PolarHBondContact N-O 2.63Å; L314-A325 PolarHBondContact O-N 3.37Å; A325-V348 HydrophobicContact CB-CG1 3.31Å; A325-F350 HydrophobicContact CB-CD1 3.86Å; A325-F350 HydrophobicContact CB-CE1 3.96Å
326N90.3Very high76.2Confident81 Ų8150.1 Ų50.143%0.43328%0.279SS..EExtended strand (participates in β ladder)trans-122.6114.9171.9-174-9.6000108R328 S329N326-R328 PolarHBondContact OD1-N 3.34Å; N326-R328 VanDerWaalsContact OD1-N 3.13Å; N326-S329 PolarHBondContact O-OG 3.05Å
327L87.9Confident74Confident0 Ų055 Ų550%031%0.313CS..G310 helixtrans-80.8-21.1-175.2-61.1175.1000112.2M308 G312 S329 L330 F332 V348 L578 I585 I593M308-L327 HydrophobicContact SD-CD1 3.57Å; M308-L327 VanDerWaalsContact SD-CD1 3.57Å; G312-L327 PolarHBondContact O-N 3.21Å; L327-S329 PolarHBondContact O-N 2.95Å; L327-L330 HydrophobicContact CB-CD1 4.49Å; L327-L330 HydrophobicContact CD2-CD1 4.01Å; L327-L330 VanDerWaalsContact O-CB 3.3Å; L327-L330 WeakPolarHBondContact O-CB 3.36Å; L327-L330 WeakPolarHBondContact O-CG 3.38Å; L327-L330 PolarHBondContact O-N 2.94Å; L327-F332 WeakPolarHBondContact O-CE2 3.45Å; L327-V348 HydrophobicContact CD2-CB 4.48Å; L327-V348 HydrophobicContact CD2-CG1 4.01Å; L327-V348 HydrophobicContact CD2-CG2 3.58Å; L327-L578 HydrophobicContact CB-CD1 4.37Å; L327-I585 HydrophobicContact CD1-CB 4.49Å; L327-I585 HydrophobicContact CD1-CD1 4.47Å; L327-I585 HydrophobicContact CD1-CG1 4.18Å; L327-I585 HydrophobicContact CD1-CG2 3.67Å; L327-I593 HydrophobicContact CD1-CG2 4.5Å; L327-I593 HydrophobicContact CD2-CG2 4.41Å
328R79.7Confident72.7Confident107 Ų10763.1 Ų63.140%0.40435%0.349SS..G310 helixtrans-67-16.3178.3-87.8-169.8177.4149.311.6114.7S311 N326 L330 E581S311-R328 VanDerWaalsContact O-CD 3.27Å; S311-R328 WeakPolarHBondContact O-CD 3.22Å; S311-R328 WeakPolarHBondContact O-CG 3.26Å; S311-R328 PolarHBondContact O-NE 3.49Å; N326-R328 PolarHBondContact OD1-N 3.34Å; N326-R328 VanDerWaalsContact OD1-N 3.13Å; R328-L330 PolarHBondContact O-N 2.98Å; R328-E581 IonicContact NE-OE1 3.83Å
329S76.6Confident72.2Confident91 Ų9164.2 Ų64.264%0.63636%0.36SS*.G310 helixtrans-75-7.2173.753.90000112.9N326 L327N326-S329 PolarHBondContact O-OG 3.05Å; L327-S329 PolarHBondContact O-N 2.95Å
330L77.8Confident72.5Confident26 Ų2663 Ų6314%0.13636%0.355CS..SBendtrans-84136.4176.1-60.3165.9000109.9L327 R328 F332 L346 P347 V348L327-L330 HydrophobicContact CB-CD1 4.49Å; L327-L330 HydrophobicContact CD2-CD1 4.01Å; L327-L330 VanDerWaalsContact O-CB 3.3Å; L327-L330 WeakPolarHBondContact O-CB 3.36Å; L327-L330 WeakPolarHBondContact O-CG 3.38Å; L327-L330 PolarHBondContact O-N 2.94Å; R328-L330 PolarHBondContact O-N 2.98Å; L330-F332 HydrophobicContact CB-CD2 4.41Å; L330-F332 HydrophobicContact CB-CE2 3.87Å; L330-F332 HydrophobicContact CB-CZ 4.07Å; L330-F332 HydrophobicContact CD1-CZ 4.25Å; L330-F332 VanDerWaalsContact O-CD2 3.3Å; L330-F332 WeakPolarHBondContact O-CD2 3.45Å; L330-F332 PolarHBondContact O-N 3.04Å; L330-F332 VanDerWaalsContact O-N 3.09Å; L330-L346 HydrophobicContact CD1-CB 4.16Å; L330-L346 HydrophobicContact CD1-CD1 4.13Å; L330-L346 HydrophobicContact CD1-CD2 4.35Å; L330-L346 HydrophobicContact CD1-CG 4.47Å; L330-P347 HydrophobicContact CD2-CG 4.09Å; L330-V348 HydrophobicContact CD1-CG2 4.27Å
331N72.2Confident73Confident84 Ų8468 Ų6845%0.44937%0.374SS..  trans-78.691178.6-92.40.8000110.7E335 G336N331-E335 PolarHBondContact ND2-O 2.8Å; N331-G336 PolarHBondContact ND2-O 3.08Å
332F72.5Confident73.5Confident17 Ų1768 Ų688%0.07538%0.377CS..  trans-79.3-19.7173.2-65.3-77.2000113.5L327 L330 I340 L346 L578 E581 R583 I585L327-F332 WeakPolarHBondContact O-CE2 3.45Å; L330-F332 HydrophobicContact CB-CD2 4.41Å; L330-F332 HydrophobicContact CB-CE2 3.87Å; L330-F332 HydrophobicContact CB-CZ 4.07Å; L330-F332 HydrophobicContact CD1-CZ 4.25Å; L330-F332 VanDerWaalsContact O-CD2 3.3Å; L330-F332 WeakPolarHBondContact O-CD2 3.45Å; L330-F332 PolarHBondContact O-N 3.04Å; L330-F332 VanDerWaalsContact O-N 3.09Å; F332-I340 HydrophobicContact CD1-CD1 3.88Å; F332-I340 HydrophobicContact CE1-CD1 3.99Å; F332-L346 HydrophobicContact CE1-CD1 4.37Å; F332-L346 HydrophobicContact CE1-CD2 4.06Å; F332-L346 HydrophobicContact CZ-CD1 4.31Å; F332-L578 HydrophobicContact CE2-CD1 4.11Å; F332-L578 HydrophobicContact CZ-CD1 4.27Å; F332-E581 HydrophobicContact CB-CB 4.17Å; F332-E581 HydrophobicContact CB-CG 4.28Å; F332-E581 HydrophobicContact CD2-CB 4.23Å; F332-E581 HydrophobicContact CD2-CG 3.87Å; F332-E581 HydrophobicContact CG-CB 4.27Å; F332-E581 HydrophobicContact CG-CG 4.33Å; F332-R583 HydrophobicContact CD1-CG 3.81Å; F332-R583 HydrophobicContact CE1-CG 4.27Å; F332-R583 HydrophobicContact CG-CG 4.34Å; F332-I585 HydrophobicContact CZ-CD1 4.35Å
333S63.5Low73.5Confident83 Ų8369.1 Ų69.158%0.5839%0.389SS*.SBendtrans-88.31.1-17153.20000115.3E335S333-E335 PolarHBondContact O-N 3.13Å
334G55.5Low73.3Confident28 Ų2873.5 Ų73.529%0.28941%0.41SS..  trans70.74.9175.800000116G336G334-G336 PolarHBondContact O-N 2.8Å; G334-G336 VanDerWaalsContact O-N 3.09Å
335E45.7Very low73.1Confident164 Ų16479.1 Ų79.177%0.76643%0.43SS*.SBendtrans-79.991.3172-76.1-169.8162.600110.4N331 S333N331-E335 PolarHBondContact ND2-O 2.8Å; S333-E335 PolarHBondContact O-N 3.13Å
336G43.9Very low72.9Confident52 Ų5279.2 Ų79.254%0.53643%0.43SS..SBendtrans82.4115.5176.900000112.7N331 G334N331-G336 PolarHBondContact ND2-O 3.08Å; G334-G336 PolarHBondContact O-N 2.8Å; G334-G336 VanDerWaalsContact O-N 3.09Å
337S46.9Very low72.8Confident103 Ų10379.9 Ų79.972%0.7244%0.439SS*.SBendtrans77.2150.6-165.365.90000115.2
338E56.8Low72.7Confident182 Ų18281 Ų8185%0.8545%0.446SS*.PPolyproline II helixtrans-47.9134-171.1-70.5174.8150.800112.2I340E338-I340 PolarHBondContact O-N 3.12Å
339M66.2Low73.1Confident128 Ų12881.9 Ų81.963%0.63146%0.463SS*.PPolyproline II helixtrans-58.4122.9173.5-103.7-167.8173.700109Q341M339-Q341 PolarHBondContact O-N 2.98Å; M339-Q341 VanDerWaalsContact O-N 3.11Å
340I76.9Confident73.7Confident21 Ų2180 Ų8011%0.10844%0.444CS..PPolyproline II helixtrans-56.8118176.4-58.4177.3000108.6F332 E338 L346 R583F332-I340 HydrophobicContact CD1-CD1 3.88Å; F332-I340 HydrophobicContact CE1-CD1 3.99Å; E338-I340 PolarHBondContact O-N 3.12Å; I340-L346 HydrophobicContact CD1-CD2 3.71Å; I340-L346 HydrophobicContact CG2-CD2 3.59Å; I340-R583 VanDerWaalsContact O-CZ 3.3Å; I340-R583 PolarHBondContact O-NH1 2.9Å; I340-R583 PolarHBondContact O-NH2 3.02Å
341Q84.3Confident74.2Confident144 Ų14485.4 Ų85.467%0.67347%0.466SS*.PPolyproline II helixtrans-77.8156.6179.3-66.6-172.60.500111.2M339 G343 E344M339-Q341 PolarHBondContact O-N 2.98Å; M339-Q341 VanDerWaalsContact O-N 3.11Å; Q341-G343 PolarHBondContact O-N 3.28Å; Q341-E344 HydrophobicContact CB-CB 4.37Å; Q341-E344 PolarHBondContact N-OE2 2.95Å; Q341-E344 WeakPolarHBondContact O-CB 3.36Å; Q341-E344 PolarHBondContact O-N 3.46Å
342D87.6Confident74.8Confident80 Ų8086.6 Ų86.643%0.42847%0.472SS..THydrogen-bonded Turntrans-65.8129.1175.6-84.111.6000110.1E344 R583 Y596 T597D342-E344 VanDerWaalsContact C-N 3.28Å; D342-E344 PolarHBondContact O-N 3.13Å; D342-R583 IonicContact OD1-NH1 3.18Å; D342-Y596 HydrophobicContact CB-CD1 3.73Å; D342-Y596 HydrophobicContact CB-CE1 4.13Å; D342-T597 VanDerWaalsContact CG-N 3.27Å; D342-T597 WeakPolarHBondContact OD1-CB 3.42Å; D342-T597 PolarHBondContact OD1-N 3.03Å; D342-T597 PolarHBondContact OD1-OG1 2.9Å; D342-T597 PolarHBondContact OD2-N 2.81Å
343G86.7Confident75.4Confident30 Ų3088.3 Ų88.331%0.30948%0.481SS..THydrogen-bonded Turntrans83.6-5.8-17600000115Q341 S595 Y596Q341-G343 PolarHBondContact O-N 3.28Å; G343-S595 PolarHBondContact N-O 3.06Å; G343-Y596 VanDerWaalsContact CA-CZ 3.47Å; G343-Y596 WeakPolarHBondContact CA-OH 3.41Å
344E85.7Confident76Confident92 Ų9286.3 Ų86.343%0.4347%0.474SS..PPolyproline II helixtrans-70141.9176-164-173.9165.400111.4Q341 D342 L346Q341-E344 HydrophobicContact CB-CB 4.37Å; Q341-E344 PolarHBondContact N-OE2 2.95Å; Q341-E344 WeakPolarHBondContact O-CB 3.36Å; Q341-E344 PolarHBondContact O-N 3.46Å; D342-E344 VanDerWaalsContact C-N 3.28Å; D342-E344 PolarHBondContact O-N 3.13Å; E344-L346 PolarHBondContact O-N 3.48Å
345R86.2Confident76.8Confident146 Ų14690.1 Ų90.155%0.55149%0.492SS*.BIsolated β-bridgetrans-69.8121175-175.6-174.7172.2-179.13.2110Q592R345-Q592 VanDerWaalsContact CZ-NE2 3.26Å
346L88.4Confident78.3Confident4 Ų482.7 Ų82.72%0.02146%0.458CS..PPolyproline II helixtrans-68.6134.2176.6-65.3179.1000111.1L330 F332 I340 E344 V348 I585 I593L330-L346 HydrophobicContact CD1-CB 4.16Å; L330-L346 HydrophobicContact CD1-CD1 4.13Å; L330-L346 HydrophobicContact CD1-CD2 4.35Å; L330-L346 HydrophobicContact CD1-CG 4.47Å; F332-L346 HydrophobicContact CE1-CD1 4.37Å; F332-L346 HydrophobicContact CE1-CD2 4.06Å; F332-L346 HydrophobicContact CZ-CD1 4.31Å; I340-L346 HydrophobicContact CD1-CD2 3.71Å; I340-L346 HydrophobicContact CG2-CD2 3.59Å; E344-L346 PolarHBondContact O-N 3.48Å; L346-V348 HydrophobicContact CB-CG2 3.69Å; L346-V348 PolarHBondContact O-N 3.48Å; L346-I585 HydrophobicContact CD1-CD1 4.18Å; L346-I593 HydrophobicContact CB-CB 4.42Å; L346-I593 WeakPolarHBondContact CB-O 3.37Å; L346-I593 HydrophobicContact CD1-CB 4.45Å; L346-I593 HydrophobicContact CD1-CG2 3.85Å; L346-I593 PolarHBondContact N-O 3.08Å
347P87Confident79.6Confident95 Ų9589.2 Ų89.262%0.61747%0.474SS*.  trans-77.664.9176.232.3-35.2000111L330 T349L330-P347 HydrophobicContact CD2-CG 4.09Å; P347-T349 PolarHBondContact O-N 2.96Å
348V87.1Confident81.1Confident25 Ų2584.7 Ų84.715%0.15244%0.442CS..PPolyproline II helixtrans-76.1124.5-175.9-174.60000110.8A325 L327 L330 L346 F350 I593A325-V348 HydrophobicContact CB-CG1 3.31Å; L327-V348 HydrophobicContact CD2-CB 4.48Å; L327-V348 HydrophobicContact CD2-CG1 4.01Å; L327-V348 HydrophobicContact CD2-CG2 3.58Å; L330-V348 HydrophobicContact CD1-CG2 4.27Å; L346-V348 HydrophobicContact CB-CG2 3.69Å; L346-V348 PolarHBondContact O-N 3.48Å; V348-F350 HydrophobicContact CB-CE2 4.05Å; V348-F350 HydrophobicContact CB-CZ 4.34Å; V348-F350 HydrophobicContact CG1-CD2 4.32Å; V348-F350 HydrophobicContact CG1-CE1 4.3Å; V348-F350 HydrophobicContact CG1-CE2 3.92Å; V348-F350 HydrophobicContact CG1-CZ 3.92Å; V348-I593 HydrophobicContact CG2-CB 3.91Å; V348-I593 HydrophobicContact CG2-CG1 3.94Å
349T87.9Confident82Confident125 Ų12578.1 Ų78.177%0.76741%0.41SS*.PPolyproline II helixtrans-90.8116.6171.1-13.60000110P347P347-T349 PolarHBondContact O-N 2.96Å
350F88.1Confident82.7Confident52 Ų5272.2 Ų72.223%0.22838%0.381CS..PPolyproline II helixtrans-89.3137.7176.4-68.9-85.4000110.7L314 V323 A325 V348 L591 I593L314-F350 HydrophobicContact CD2-CE1 3.99Å; L314-F350 HydrophobicContact CD2-CZ 4.37Å; V323-F350 HydrophobicContact CB-CB 4.24Å; V323-F350 HydrophobicContact CB-CD1 4.15Å; V323-F350 HydrophobicContact CG2-CD1 3.67Å; V323-F350 HydrophobicContact CG2-CE1 4.27Å; V323-F350 HydrophobicContact CG2-CG 4.34Å; A325-F350 HydrophobicContact CB-CD1 3.86Å; A325-F350 HydrophobicContact CB-CE1 3.96Å; V348-F350 HydrophobicContact CB-CE2 4.05Å; V348-F350 HydrophobicContact CB-CZ 4.34Å; V348-F350 HydrophobicContact CG1-CD2 4.32Å; V348-F350 HydrophobicContact CG1-CE1 4.3Å; V348-F350 HydrophobicContact CG1-CE2 3.92Å; V348-F350 HydrophobicContact CG1-CZ 3.92Å; F350-L591 HydrophobicContact CE2-CB 4.23Å; F350-L591 HydrophobicContact CZ-CB 3.95Å; F350-I593 HydrophobicContact CZ-CG1 4.34Å
351K89.4Confident82.9Confident138 Ų13874.2 Ų74.260%0.639%0.39SS*.EExtended strand (participates in β ladder)trans-106.3124.4171.8178179.9176.8179.90109V323 Q324 M353V323-K351 WeakPolarHBondContact CA-O 3.34Å; Q324-K351 PolarHBondContact N-O 3.2Å; Q324-K351 PolarHBondContact O-N 3.29Å; K351-M353 HydrophobicContact CD-SD 4.46Å
352D85.2Confident83.1Confident110 Ų11069.3 Ų69.359%0.58837%0.368SS*.EExtended strand (participates in β ladder)trans-66.8135.3174.4-60.7-34.3000110.9V323V323-D352 WeakPolarHBondContact CG1-OD1 3.44Å
353M83.6Confident83.3Confident52 Ų5265.9 Ų65.926%0.25635%0.349SS..EExtended strand (participates in β ladder)trans-114.6-8.1-179.4-63.3-66.6-61.200113.1L322 Q324 K351 L388L322-M353 HydrophobicContact CB-CB 4.44Å; L322-M353 WeakPolarHBondContact O-CB 3.48Å; L322-M353 PolarHBondContact O-N 3.33Å; Q324-M353 HydrophobicContact CB-CG 3.73Å; Q324-M353 HydrophobicContact CB-SD 4.15Å; K351-M353 HydrophobicContact CD-SD 4.46Å; M353-L388 HydrophobicContact CB-CD1 3.29Å; M353-L388 HydrophobicContact CE-CB 4.14Å; M353-L388 HydrophobicContact CE-CD1 3.82Å; M353-L388 HydrophobicContact CE-CG 4.23Å; M353-L388 HydrophobicContact CG-CD1 3.59Å
354G77Confident83.7Confident42 Ų4267.8 Ų67.843%0.43335%0.35SS..EExtended strand (participates in β ladder)trans117.1176.7179.100000112.9L322L322-G354 PolarHBondContact N-O 3Å
355T73.1Confident84.1Confident108 Ų10864 Ų6466%0.66333%0.332SS*.EExtended strand (participates in β ladder)trans-86.7139.3178.345.70000111S320 E321S320-T355 WeakPolarHBondContact O-CA 3.23Å; E321-T355 HydrophobicContact CG-CG2 3.94Å
356C76.1Confident84.5Confident8 Ų857.2 Ų57.25%0.05431%0.307CS..  trans-87.9144.6169.4-162.10000109.5S320 L322 I358 P360 Y383S320-C356 PolarHBondContact O-N 3.36Å; L322-C356 HydrophobicContact CD1-CB 4.06Å; L322-C356 HydrophobicContact CG-CB 4.17Å; C356-I358 VanDerWaalsContact C-N 3.28Å; C356-I358 VanDerWaalsContact SG-CG1 3.57Å; C356-P360 HydrophobicContact CB-CG 4.29Å; C356-Y383 PolarHBondContact SG-OH 3.36Å; C356-Y383 VanDerWaalsContact SG-OH 3.4Å
357E72.3Confident84.7Confident188 Ų18859.9 Ų59.988%0.87933%0.33SS*.SBendtrans-71.7-26.4178.1-67.4-179.3174.200112.4
358I77.5Confident84.9Confident9 Ų960 Ų605%0.04633%0.325CS..SBendtrans-105.3151.4178.861.5170.6000109.8C356 P360 V374 E379 I381C356-I358 VanDerWaalsContact C-N 3.28Å; C356-I358 VanDerWaalsContact SG-CG1 3.57Å; I358-P360 WeakPolarHBondContact O-CD 3.49Å; I358-V374 HydrophobicContact CD1-CG1 4.14Å; I358-V374 HydrophobicContact CG1-CG1 4.29Å; I358-E379 HydrophobicContact CG2-CB 3.94Å; I358-E379 WeakPolarHBondContact CG2-OE2 3.26Å; I358-I381 HydrophobicContact CD1-CD1 4.28Å; I358-I381 HydrophobicContact CD1-CG1 4.14Å; I358-I381 HydrophobicContact CG1-CD1 4.15Å; I358-I381 HydrophobicContact CG2-CD1 4.45Å
359Y75Confident85.1Confident43 Ų4359.3 Ų59.317%0.16932%0.323CS..  trans-73.8110.4171.4-175.6-96.7000109.3M3 L241 P242 H319 Q361 G376 D377M3-Y359 HydrophobicContact CE-CD1 3.94Å; M3-Y359 HydrophobicContact CE-CD2 4.4Å; M3-Y359 HydrophobicContact CE-CE1 4.49Å; M3-Y359 HydrophobicContact CE-CG 3.9Å; L241-Y359 HydrophobicContact CD2-CE1 4.13Å; L241-Y359 HydrophobicContact CD2-CE2 3.68Å; L241-Y359 WeakPolarHBondContact CD2-OH 3.27Å; P242-Y359 HydrophobicContact CG-CD2 4.45Å; H319-Y359 HydrophobicContact CB-CE2 4.18Å; Y359-Q361 HydrophobicContact CD1-CG 4.26Å; Y359-Q361 PolarHBondContact O-N 2.88Å; Y359-Q361 VanDerWaalsContact O-N 3.12Å; Y359-G376 WeakPolarHBondContact O-CA 3.38Å; Y359-D377 VanDerWaalsContact CB-OD2 3.27Å; Y359-D377 WeakPolarHBondContact CB-OD2 3.44Å; Y359-D377 PolarHBondContact N-OD2 3.01Å
360P81.9Confident85.3Confident4 Ų461 Ų613%0.02632%0.315CS..  trans-62.1113.8-178.8-21.136.3000110.5A305 A317 H319 L322 C356 I358 I363 V374A305-P360 HydrophobicContact CB-CB 4.36Å; A317-P360 HydrophobicContact CB-CB 3.49Å; A317-P360 VanDerWaalsContact CB-CB 3.49Å; A317-P360 HydrophobicContact CB-CG 3.63Å; H319-P360 WeakPolarHBondContact O-CD 3.23Å; H319-P360 WeakPolarHBondContact O-CG 3.4Å; L322-P360 HydrophobicContact CD2-CG 4.35Å; C356-P360 HydrophobicContact CB-CG 4.29Å; I358-P360 WeakPolarHBondContact O-CD 3.49Å; P360-I363 HydrophobicContact CB-CD1 4.4Å; P360-I363 HydrophobicContact CB-CG1 4.34Å; P360-V374 HydrophobicContact CB-CG1 3.63Å; P360-V374 HydrophobicContact CG-CG1 3.82Å
361Q80.9Confident85.7Confident64 Ų6460.1 Ų60.130%0.29931%0.311SS..SBendtrans-92.9-42.1170.8-65.8-178.85.200110.3Y359 Y375 D377Y359-Q361 HydrophobicContact CD1-CG 4.26Å; Y359-Q361 PolarHBondContact O-N 2.88Å; Y359-Q361 VanDerWaalsContact O-N 3.12Å; Q361-Y375 PolarHBondContact N-O 3.49Å; Q361-D377 PolarHBondContact NE2-OD1 3.48Å
362I87.8Confident85.9Confident41 Ų4153.5 Ų53.521%0.2128%0.282CS..EExtended strand (participates in β ladder)trans-133.2138.1176.8-73165.6000109Y375I362-Y375 HydrophobicContact CB-CD1 3.9Å; I362-Y375 HydrophobicContact CB-CE1 3.41Å; I362-Y375 VanDerWaalsContact CB-CE1 3.41Å; I362-Y375 HydrophobicContact CB-CE2 4.38Å; I362-Y375 HydrophobicContact CD1-CE1 4.02Å; I362-Y375 HydrophobicContact CD1-CE2 4.21Å; I362-Y375 VanDerWaalsContact CD1-CZ 3.48Å; I362-Y375 WeakPolarHBondContact CD1-OH 3.22Å; I362-Y375 HydrophobicContact CG1-CE1 4.26Å; I362-Y375 HydrophobicContact CG2-CD1 4.04Å; I362-Y375 HydrophobicContact CG2-CE1 3.42Å; I362-Y375 VanDerWaalsContact CG2-CE1 3.42Å; I362-Y375 PolarHBondContact N-O 3.38Å; I362-Y375 VanDerWaalsContact N-O 3.12Å; I362-Y375 PolarHBondContact O-N 3.48Å; I362-Y375 VanDerWaalsContact O-N 3.08Å
363I93Very high86.4Confident7 Ų748.3 Ų48.34%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-118.6131.5169.3-61.3-172.3000106.9A305 S307 V315 A317 L322 P360 V372 V373 V374A305-I363 HydrophobicContact CB-CG1 4.25Å; A305-I363 WeakPolarHBondContact O-CD1 3.23Å; S307-I363 WeakPolarHBondContact CB-O 3.47Å; V315-I363 HydrophobicContact CB-CG2 4.34Å; V315-I363 HydrophobicContact CG1-CD1 4.44Å; V315-I363 HydrophobicContact CG1-CG2 4.09Å; A317-I363 HydrophobicContact CB-CD1 3.73Å; L322-I363 HydrophobicContact CD2-CD1 3.6Å; P360-I363 HydrophobicContact CB-CD1 4.4Å; P360-I363 HydrophobicContact CB-CG1 4.34Å; I363-V372 HydrophobicContact CG2-CG2 3.48Å; I363-V372 VanDerWaalsContact CG2-CG2 3.48Å; I363-V373 WeakPolarHBondContact CA-O 3.48Å; I363-V374 HydrophobicContact CD1-CG2 4.42Å; I363-V374 HydrophobicContact CG1-CG2 4.24Å
364E94.2Very high86.8Confident70 Ų7045.8 Ų45.833%0.32724%0.242SC..EExtended strand (participates in β ladder)trans-145.2126178.7-155.6-169.4166.300111.4V372 V373 W401E364-V372 WeakPolarHBondContact O-CA 3.19Å; E364-V373 HydrophobicContact CB-CG1 3.93Å; E364-V373 PolarHBondContact N-O 3.01Å; E364-V373 VanDerWaalsContact N-O 3.08Å; E364-V373 PolarHBondContact O-N 2.88Å; E364-W401 PolarHBondContact O-NE1 3.26Å
365H95.1Very high87.4Confident13 Ų1344.9 Ų44.96%0.0623%0.226CC..EExtended strand (participates in β ladder)trans-70144.5166.1-7389.4000110.2S307 Y371S307-H365 VanDerWaalsContact CB-ND1 3.34Å; S307-H365 WeakPolarHBondContact CB-ND1 3.49Å; S307-H365 PolarHBondContact O-CE1 3.36Å; S307-H365 VanDerWaalsContact O-CE1 3.27Å; S307-H365 PolarHBondContact O-ND1 3.26Å; S307-H365 PolarHBondContact OG-N 3.24Å; S307-H365 PolarHBondContact OG-ND1 2.82Å; H365-Y371 WeakPolarHBondContact CA-O 3.48Å
366N94.7Very high87.8Confident4 Ų439.8 Ų39.82%0.02119%0.194CC..  trans-69.5168165.176.2-29.9000110.6N368 G369 R370 Y371 W401 A406N366-N368 VanDerWaalsContact CG-OD1 3.26Å; N366-N368 PolarHBondContact ND2-OD1 3.39Å; N366-N368 PolarHBondContact O-N 3.48Å; N366-N368 PolarHBondContact OD1-OD1 2.87Å; N366-G369 PolarHBondContact O-N 3.42Å; N366-G369 PolarHBondContact OD1-N 3.36Å; N366-R370 PolarHBondContact OD1-N 2.86Å; N366-Y371 PolarHBondContact N-O 3.29Å; N366-Y371 WeakPolarHBondContact ND2-CD2 3.32Å; N366-Y371 PolarHBondContact OD1-N 2.99Å; N366-Y371 PolarHBondContact OD1-O 3.4Å; N366-W401 HydrophobicContact CB-CD2 3.49Å; N366-W401 VanDerWaalsContact CB-CD2 3.49Å; N366-W401 HydrophobicContact CB-CE3 3.68Å; N366-W401 HydrophobicContact CB-CG 3.98Å; N366-W401 HydrophobicContact CB-CH2 4.21Å; N366-W401 HydrophobicContact CB-CZ2 4.01Å; N366-W401 HydrophobicContact CB-CZ3 4.04Å; N366-A406 PolarHBondContact ND2-O 3.44Å
367A91Very high87.7Confident60 Ų6040.9 Ų40.950%0.49620%0.2SC..THydrogen-bonded Turntrans-53.5-27.7-172.500000115.7Q403 A406A367-Q403 WeakPolarHBondContact CB-O 3.49Å; A367-A406 HydrophobicContact CB-CB 4.45Å
368N91.2Very high88.1Confident98 Ų9832.4 Ų32.452%0.52416%0.163SC..THydrogen-bonded Turntrans-103.26.4178.568.310.9000114.5N366 R370 A406N366-N368 VanDerWaalsContact CG-OD1 3.26Å; N366-N368 PolarHBondContact ND2-OD1 3.39Å; N366-N368 PolarHBondContact O-N 3.48Å; N366-N368 PolarHBondContact OD1-OD1 2.87Å; N368-R370 PolarHBondContact O-N 3.3Å; N368-R370 VanDerWaalsContact O-N 3.16Å; N368-R370 WeakPolarHBondContact OD1-CB 3.48Å; N368-R370 PolarHBondContact OD1-N 2.91Å; N368-R370 VanDerWaalsContact OD1-N 3.1Å; N368-A406 HydrophobicContact CB-CB 4.24Å; N368-A406 WeakPolarHBondContact ND2-CB 3.18Å
369G92.2Very high88.7Confident10 Ų1035.9 Ų35.910%0.10318%0.179CC..SBendtrans69.45.8179.300000115.2N366 A385N366-G369 PolarHBondContact O-N 3.42Å; N366-G369 PolarHBondContact OD1-N 3.36Å; G369-A385 WeakPolarHBondContact O-CB 3.09Å
370R92.8Very high89.5Confident160 Ų16034.2 Ų34.260%0.60417%0.173SC*.SBendtrans-75.3-36.4-177-174.5178.8-178.4-179.22112.6N366 N368 A385N366-R370 PolarHBondContact OD1-N 2.86Å; N368-R370 PolarHBondContact O-N 3.3Å; N368-R370 VanDerWaalsContact O-N 3.16Å; N368-R370 WeakPolarHBondContact OD1-CB 3.48Å; N368-R370 PolarHBondContact OD1-N 2.91Å; N368-R370 VanDerWaalsContact OD1-N 3.1Å; R370-A385 PolarHBondContact O-N 3.33Å
371Y95Very high90.1Very high33 Ų3334.4 Ų34.413%0.12917%0.173CC..EExtended strand (participates in β ladder)trans-116.8148.4-179.8-59-62.8000109.5H365 N366 V382 Y383 T384 K391 M424H365-Y371 WeakPolarHBondContact CA-O 3.48Å; N366-Y371 PolarHBondContact N-O 3.29Å; N366-Y371 WeakPolarHBondContact ND2-CD2 3.32Å; N366-Y371 PolarHBondContact OD1-N 2.99Å; N366-Y371 PolarHBondContact OD1-O 3.4Å; Y371-V382 HydrophobicContact CD1-CG1 4.43Å; Y371-V382 HydrophobicContact CG-CG1 4.35Å; Y371-Y383 VanDerWaalsContact CA-O 3.27Å; Y371-Y383 WeakPolarHBondContact CA-O 3.48Å; Y371-T384 HydrophobicContact CD1-CG2 4.47Å; Y371-T384 HydrophobicContact CE1-CG2 4.27Å; Y371-K391 HydrophobicContact CD1-CG 4.33Å; Y371-K391 HydrophobicContact CE1-CG 4.05Å; Y371-M424 HydrophobicContact CD1-CE 4.49Å; Y371-M424 HydrophobicContact CD2-CE 4.41Å; Y371-M424 HydrophobicContact CE1-CE 4.48Å; Y371-M424 HydrophobicContact CE2-CE 4.41Å; Y371-M424 HydrophobicContact CG-CE 4.47Å
372V94.8Very high90.7Very high0 Ų031.4 Ų31.40%016%0.159CC..EExtended strand (participates in β ladder)trans-124.6132.3168.379.80000107.1V315 I363 E364 Y383 A385 L388V315-V372 HydrophobicContact CB-CG2 4.47Å; I363-V372 HydrophobicContact CG2-CG2 3.48Å; I363-V372 VanDerWaalsContact CG2-CG2 3.48Å; E364-V372 WeakPolarHBondContact O-CA 3.19Å; V372-Y383 PolarHBondContact N-O 3.4Å; V372-Y383 PolarHBondContact O-N 2.97Å; V372-A385 HydrophobicContact CB-CB 4.49Å; V372-L388 HydrophobicContact CG1-CD2 3.67Å
373V95.2Very high91Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-93.6140.9168.969.60000108.5I363 E364 I381 V382 F399 W401I363-V373 WeakPolarHBondContact CA-O 3.48Å; E364-V373 HydrophobicContact CB-CG1 3.93Å; E364-V373 PolarHBondContact N-O 3.01Å; E364-V373 VanDerWaalsContact N-O 3.08Å; E364-V373 PolarHBondContact O-N 2.88Å; V373-I381 WeakPolarHBondContact CA-O 3.37Å; V373-V382 HydrophobicContact CB-CG2 4.41Å; V373-V382 HydrophobicContact CG2-CG2 4.08Å; V373-F399 HydrophobicContact CB-CD1 3.98Å; V373-F399 HydrophobicContact CB-CE1 3.9Å; V373-F399 HydrophobicContact CB-CG 4.41Å; V373-F399 HydrophobicContact CB-CZ 4.2Å; V373-F399 HydrophobicContact CG1-CD1 3.65Å; V373-F399 HydrophobicContact CG1-CE1 3.89Å; V373-F399 HydrophobicContact CG1-CG 4.32Å; V373-F399 HydrophobicContact CG2-CB 4.34Å; V373-F399 HydrophobicContact CG2-CD1 3.8Å; V373-F399 HydrophobicContact CG2-CD2 3.77Å; V373-F399 HydrophobicContact CG2-CE1 3.99Å; V373-F399 HydrophobicContact CG2-CE2 3.92Å; V373-F399 HydrophobicContact CG2-CG 3.71Å; V373-F399 HydrophobicContact CG2-CZ 4.04Å; V373-W401 HydrophobicContact CB-CZ2 4.08Å
374V92.3Very high91Very high0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-117.2124.2163.3-178.90000105.5L322 I358 P360 I363 Y380 I381 Y383L322-V374 HydrophobicContact CD1-CG2 4.17Å; L322-V374 HydrophobicContact CD2-CG2 4.09Å; I358-V374 HydrophobicContact CD1-CG1 4.14Å; I358-V374 HydrophobicContact CG1-CG1 4.29Å; P360-V374 HydrophobicContact CB-CG1 3.63Å; P360-V374 HydrophobicContact CG-CG1 3.82Å; I363-V374 HydrophobicContact CD1-CG2 4.42Å; I363-V374 HydrophobicContact CG1-CG2 4.24Å; V374-Y380 CarbonylContact O-C 3.48Å; V374-Y380 WeakPolarHBondContact O-CA 3.04Å; V374-I381 PolarHBondContact N-O 3.08Å; V374-I381 PolarHBondContact O-N 2.94Å; V374-Y383 HydrophobicContact CB-CD2 4.46Å; V374-Y383 HydrophobicContact CB-CE2 4.08Å; V374-Y383 HydrophobicContact CG2-CD2 3.88Å; V374-Y383 HydrophobicContact CG2-CE2 3.79Å
375Y90.1Very high90.6Very high23 Ų2328.3 Ų28.39%0.0915%0.145CC..EExtended strand (participates in β ladder)trans-13614917381.9-96.3000111.7Q361 I362 E379 E398 F399Q361-Y375 PolarHBondContact N-O 3.49Å; I362-Y375 HydrophobicContact CB-CD1 3.9Å; I362-Y375 HydrophobicContact CB-CE1 3.41Å; I362-Y375 VanDerWaalsContact CB-CE1 3.41Å; I362-Y375 HydrophobicContact CB-CE2 4.38Å; I362-Y375 HydrophobicContact CD1-CE1 4.02Å; I362-Y375 HydrophobicContact CD1-CE2 4.21Å; I362-Y375 VanDerWaalsContact CD1-CZ 3.48Å; I362-Y375 WeakPolarHBondContact CD1-OH 3.22Å; I362-Y375 HydrophobicContact CG1-CE1 4.26Å; I362-Y375 HydrophobicContact CG2-CD1 4.04Å; I362-Y375 HydrophobicContact CG2-CE1 3.42Å; I362-Y375 VanDerWaalsContact CG2-CE1 3.42Å; I362-Y375 PolarHBondContact N-O 3.38Å; I362-Y375 VanDerWaalsContact N-O 3.12Å; I362-Y375 PolarHBondContact O-N 3.48Å; I362-Y375 VanDerWaalsContact O-N 3.08Å; Y375-E379 VanDerWaalsContact CA-O 3.31Å; Y375-E379 WeakPolarHBondContact CA-O 3.21Å; Y375-E379 WeakPolarHBondContact CB-O 3.46Å; Y375-E398 HydrophobicContact CE2-CG 4.48Å; Y375-F399 HydrophobicContact CD1-CB 3.8Å; Y375-F399 HydrophobicContact CE1-CB 4.14Å; Y375-F399 HydrophobicContact CG-CB 4.19Å
376G81.2Confident90Very high1 Ų135.5 Ų35.51%0.0118%0.181CC..EExtended strand (participates in β ladder)trans172.8159.7-175.300000110.4Y359 G378 E379Y359-G376 WeakPolarHBondContact O-CA 3.38Å; G376-G378 PolarHBondContact O-N 3.35Å; G376-E379 PolarHBondContact N-O 3.07Å; G376-E379 PolarHBondContact O-N 3.22Å
377D74.4Confident89.5Confident30 Ų3037.4 Ų37.416%0.1620%0.197CC..THydrogen-bonded Turntrans56.524.2178.8-57.7-24000115.7M3 Y359 Q361 E379M3-D377 WeakPolarHBondContact CG-OD1 3.32Å; Y359-D377 VanDerWaalsContact CB-OD2 3.27Å; Y359-D377 WeakPolarHBondContact CB-OD2 3.44Å; Y359-D377 PolarHBondContact N-OD2 3.01Å; Q361-D377 PolarHBondContact NE2-OD1 3.48Å; D377-E379 VanDerWaalsContact C-N 3.31Å
378G80.3Confident89.1Confident11 Ų1135.5 Ų35.511%0.11318%0.179CC..THydrogen-bonded Turntrans78.416-178.200000113.8G376 Q395 G396G376-G378 PolarHBondContact O-N 3.35Å; G378-Q395 WeakPolarHBondContact O-CA 3.38Å; G378-G396 CarbonylContact C-O 3.59Å; G378-G396 VanDerWaalsContact CA-O 3.26Å; G378-G396 WeakPolarHBondContact CA-O 3.48Å; G378-G396 CarbonylContact O-C 3.57Å; G378-G396 PolarHBondContact O-N 3.4Å
379E89.1Confident89Confident81 Ų8139.4 Ų39.438%0.37919%0.186SC..EExtended strand (participates in β ladder)trans-129.8155.4177-63.7-172.2156.300110.4I358 Y375 G376 D377 G394 Q395 G396I358-E379 HydrophobicContact CG2-CB 3.94Å; I358-E379 WeakPolarHBondContact CG2-OE2 3.26Å; Y375-E379 VanDerWaalsContact CA-O 3.31Å; Y375-E379 WeakPolarHBondContact CA-O 3.21Å; Y375-E379 WeakPolarHBondContact CB-O 3.46Å; G376-E379 PolarHBondContact N-O 3.07Å; G376-E379 PolarHBondContact O-N 3.22Å; D377-E379 VanDerWaalsContact C-N 3.31Å; E379-G394 WeakPolarHBondContact CA-O 3.44Å; E379-Q395 HydrophobicContact CG-CG 4.38Å; E379-G396 PolarHBondContact N-O 3.03Å
380Y92.8Very high88.9Confident9 Ų942.6 Ų42.64%0.03520%0.201CC..EExtended strand (participates in β ladder)trans-135146.9174.373.9-88.6000110.6V374 V382 T392 F393 G394 F399 Y409 V411V374-Y380 CarbonylContact O-C 3.48Å; V374-Y380 WeakPolarHBondContact O-CA 3.04Å; Y380-V382 HydrophobicContact CD2-CG2 4.13Å; Y380-V382 HydrophobicContact CE2-CG2 4.29Å; Y380-T392 HydrophobicContact CE2-CG2 4.31Å; Y380-F393 CarbonylContact O-C 3.54Å; Y380-F393 WeakPolarHBondContact O-CA 3.32Å; Y380-F393 WeakPolarHBondContact O-CB 3.34Å; Y380-G394 VanDerWaalsContact CD1-O 3.26Å; Y380-G394 WeakPolarHBondContact CD1-O 3.4Å; Y380-G394 PolarHBondContact N-O 3.12Å; Y380-G394 PolarHBondContact O-N 2.68Å; Y380-F399 HydrophobicContact CD1-CD2 4.48Å; Y380-F399 AromaticContact CD2-CD2 3.63Å; Y380-F399 HydrophobicContact CD2-CD2 3.63Å; Y380-F399 AromaticContact CD2-CE2 3.76Å; Y380-F399 HydrophobicContact CD2-CE2 3.76Å; Y380-F399 HydrophobicContact CE2-CD2 4.13Å; Y380-F399 AromaticContact CE2-CE2 3.96Å; Y380-F399 HydrophobicContact CE2-CE2 3.96Å; Y380-F399 AromaticContact CG-CD2 3.84Å; Y380-F399 HydrophobicContact CG-CD2 3.84Å; Y380-F399 HydrophobicContact CG-CE2 4.44Å; Y380-Y409 HydrophobicContact CE2-CE2 4.43Å; Y380-V411 HydrophobicContact CD1-CG1 3.98Å; Y380-V411 HydrophobicContact CD1-CG2 4.24Å; Y380-V411 HydrophobicContact CE1-CB 4.38Å; Y380-V411 HydrophobicContact CE1-CG1 3.79Å; Y380-V411 HydrophobicContact CE1-CG2 3.78Å; Y380-V411 HydrophobicContact CE2-CG2 4.49Å
381I93.9Very high88.9Confident8 Ų840.3 Ų40.34%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-131.2126.3173.8-52.2174.6000108.1I358 V373 V374 Y383 N390 F393I358-I381 HydrophobicContact CD1-CD1 4.28Å; I358-I381 HydrophobicContact CD1-CG1 4.14Å; I358-I381 HydrophobicContact CG1-CD1 4.15Å; I358-I381 HydrophobicContact CG2-CD1 4.45Å; V373-I381 WeakPolarHBondContact CA-O 3.37Å; V374-I381 PolarHBondContact N-O 3.08Å; V374-I381 PolarHBondContact O-N 2.94Å; I381-Y383 HydrophobicContact CB-CD2 4.4Å; I381-Y383 HydrophobicContact CB-CE2 3.75Å; I381-Y383 HydrophobicContact CG2-CD1 4.17Å; I381-Y383 HydrophobicContact CG2-CD2 4Å; I381-Y383 HydrophobicContact CG2-CE1 3.7Å; I381-Y383 HydrophobicContact CG2-CE2 3.5Å; I381-Y383 VanDerWaalsContact CG2-CE2 3.5Å; I381-Y383 HydrophobicContact CG2-CG 4.32Å; I381-N390 WeakPolarHBondContact CG2-ND2 3.42Å; I381-F393 HydrophobicContact CG1-CB 4.08Å; I381-F393 HydrophobicContact CG2-CB 4.44Å
382V94.6Very high88.9Confident0 Ų040 Ų400%020%0.197CC..EExtended strand (participates in β ladder)trans-99.3123.4172.8-177.30000108.8Y371 V373 Y380 K391 T392 F399 W401 M424Y371-V382 HydrophobicContact CD1-CG1 4.43Å; Y371-V382 HydrophobicContact CG-CG1 4.35Å; V373-V382 HydrophobicContact CB-CG2 4.41Å; V373-V382 HydrophobicContact CG2-CG2 4.08Å; Y380-V382 HydrophobicContact CD2-CG2 4.13Å; Y380-V382 HydrophobicContact CE2-CG2 4.29Å; V382-K391 PolarHBondContact O-N 3.02Å; V382-T392 HydrophobicContact CB-CG2 3.78Å; V382-T392 HydrophobicContact CG2-CG2 3.74Å; V382-T392 PolarHBondContact N-O 2.9Å; V382-T392 PolarHBondContact O-N 2.86Å; V382-F399 HydrophobicContact CG2-CE2 3.82Å; V382-F399 HydrophobicContact CG2-CZ 3.96Å; V382-W401 HydrophobicContact CG1-CH2 3.93Å; V382-W401 HydrophobicContact CG1-CZ2 4.15Å; V382-W401 HydrophobicContact CG2-CH2 4.4Å; V382-M424 HydrophobicContact CB-CE 4.45Å; V382-M424 HydrophobicContact CG1-CE 3.76Å
383Y93.2Very high88.8Confident24 Ų2447 Ų479%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-110.9158.4177.5-61.9-80.5000111.6L322 C356 Y371 V372 V374 I381 L388 R389 N390L322-Y383 HydrophobicContact CD1-CE2 4.24Å; C356-Y383 PolarHBondContact SG-OH 3.36Å; C356-Y383 VanDerWaalsContact SG-OH 3.4Å; Y371-Y383 VanDerWaalsContact CA-O 3.27Å; Y371-Y383 WeakPolarHBondContact CA-O 3.48Å; V372-Y383 PolarHBondContact N-O 3.4Å; V372-Y383 PolarHBondContact O-N 2.97Å; V374-Y383 HydrophobicContact CB-CD2 4.46Å; V374-Y383 HydrophobicContact CB-CE2 4.08Å; V374-Y383 HydrophobicContact CG2-CD2 3.88Å; V374-Y383 HydrophobicContact CG2-CE2 3.79Å; I381-Y383 HydrophobicContact CB-CD2 4.4Å; I381-Y383 HydrophobicContact CB-CE2 3.75Å; I381-Y383 HydrophobicContact CG2-CD1 4.17Å; I381-Y383 HydrophobicContact CG2-CD2 4Å; I381-Y383 HydrophobicContact CG2-CE1 3.7Å; I381-Y383 HydrophobicContact CG2-CE2 3.5Å; I381-Y383 VanDerWaalsContact CG2-CE2 3.5Å; I381-Y383 HydrophobicContact CG2-CG 4.32Å; Y383-L388 HydrophobicContact CD1-CB 4.48Å; Y383-L388 HydrophobicContact CD1-CD2 4.39Å; Y383-L388 WeakPolarHBondContact CD1-O 3.42Å; Y383-L388 HydrophobicContact CD2-CD2 3.91Å; Y383-L388 HydrophobicContact CG-CD2 3.73Å; Y383-R389 CarbonylContact C-O 3.56Å; Y383-R389 VanDerWaalsContact CA-O 3.3Å; Y383-R389 WeakPolarHBondContact CA-O 3.49Å; Y383-N390 HydrophobicContact CD1-CB 4.25Å; Y383-N390 HydrophobicContact CE1-CB 4.19Å
384T92.3Very high88.7Confident27 Ų2748 Ų4817%0.16624%0.238CC..EExtended strand (participates in β ladder)trans-73.1126.8161.261.80000109.9Y371 M386 A387 L388 R389 K391Y371-T384 HydrophobicContact CD1-CG2 4.47Å; Y371-T384 HydrophobicContact CE1-CG2 4.27Å; T384-M386 PolarHBondContact O-N 2.99Å; T384-M386 VanDerWaalsContact O-N 3.17Å; T384-A387 PolarHBondContact O-N 3.21Å; T384-L388 WeakPolarHBondContact O-CA 3.48Å; T384-L388 PolarHBondContact O-N 3.19Å; T384-R389 HydrophobicContact CG2-CB 4.49Å; T384-R389 PolarHBondContact N-O 3.4Å; T384-R389 PolarHBondContact OG1-N 3.08Å; T384-R389 VanDerWaalsContact OG1-N 3.15Å; T384-K391 HydrophobicContact CG2-CD 3.63Å; T384-K391 HydrophobicContact CG2-CG 3.6Å
385A86.5Confident88.6Confident2 Ų253.5 Ų53.52%0.01726%0.264CS..THydrogen-bonded Turntrans-64.4-24-175.900000114.2K313 G369 R370 V372K313-A385 PolarHBondContact NZ-O 3.48Å; G369-A385 WeakPolarHBondContact O-CB 3.09Å; R370-A385 PolarHBondContact O-N 3.33Å; V372-A385 HydrophobicContact CB-CB 4.49Å
386M82.8Confident88.5Confident164 Ų16452.5 Ų52.581%0.80826%0.26SS*.THydrogen-bonded Turntrans-71.3-39.4179.7-82.3-169.77400114.5T384T384-M386 PolarHBondContact O-N 2.99Å; T384-M386 VanDerWaalsContact O-N 3.17Å
387A84Confident88.8Confident45 Ų4554.1 Ų54.137%0.37227%0.268SS..THydrogen-bonded Turntrans-135.46.6-167.100000113T384 R389T384-A387 PolarHBondContact O-N 3.21Å; A387-R389 PolarHBondContact O-N 3.38Å; A387-R389 VanDerWaalsContact O-N 3.08Å
388L82.7Confident89.6Confident20 Ų2054 Ų5411%0.10527%0.267CS..  trans4538.7-173.4-78.1160.1000114.1L322 M353 V372 Y383 T384L322-L388 HydrophobicContact CB-CD1 4.16Å; L322-L388 HydrophobicContact CD1-CD1 4.34Å; L322-L388 HydrophobicContact CD1-CD2 4.12Å; M353-L388 HydrophobicContact CB-CD1 3.29Å; M353-L388 HydrophobicContact CE-CB 4.14Å; M353-L388 HydrophobicContact CE-CD1 3.82Å; M353-L388 HydrophobicContact CE-CG 4.23Å; M353-L388 HydrophobicContact CG-CD1 3.59Å; V372-L388 HydrophobicContact CG1-CD2 3.67Å; Y383-L388 HydrophobicContact CD1-CB 4.48Å; Y383-L388 HydrophobicContact CD1-CD2 4.39Å; Y383-L388 WeakPolarHBondContact CD1-O 3.42Å; Y383-L388 HydrophobicContact CD2-CD2 3.91Å; Y383-L388 HydrophobicContact CG-CD2 3.73Å; T384-L388 WeakPolarHBondContact O-CA 3.48Å; T384-L388 PolarHBondContact O-N 3.19Å
389R88.4Confident90.4Very high179 Ų17953.4 Ų53.468%0.67526%0.261SS*.  trans-78.2128172.1-81.3-173.1-83.2-158.1-8110.8Y383 T384 A387 K391Y383-R389 CarbonylContact C-O 3.56Å; Y383-R389 VanDerWaalsContact CA-O 3.3Å; Y383-R389 WeakPolarHBondContact CA-O 3.49Å; T384-R389 HydrophobicContact CG2-CB 4.49Å; T384-R389 PolarHBondContact N-O 3.4Å; T384-R389 PolarHBondContact OG1-N 3.08Å; T384-R389 VanDerWaalsContact OG1-N 3.15Å; A387-R389 PolarHBondContact O-N 3.38Å; A387-R389 VanDerWaalsContact O-N 3.08Å; R389-K391 PolarHBondContact O-N 3.26Å
390N90.7Very high90.7Very high78 Ų7850.1 Ų50.142%0.41725%0.247SC..EExtended strand (participates in β ladder)trans-59.7129.6177.2-171.8-37.9000110.2I381 Y383 T392I381-N390 WeakPolarHBondContact CG2-ND2 3.42Å; Y383-N390 HydrophobicContact CD1-CB 4.25Å; Y383-N390 HydrophobicContact CE1-CB 4.19Å; N390-T392 PolarHBondContact OD1-N 3.1Å; N390-T392 PolarHBondContact OD1-O 2.78Å
391K93.2Very high90.9Very high111 Ų11150.1 Ų50.148%0.48325%0.247SC..EExtended strand (participates in β ladder)trans-111.9-38.4177.3-66-65-79.5167.10112.5Y371 V382 T384 R389 M424Y371-K391 HydrophobicContact CD1-CG 4.33Å; Y371-K391 HydrophobicContact CE1-CG 4.05Å; V382-K391 PolarHBondContact O-N 3.02Å; T384-K391 HydrophobicContact CG2-CD 3.63Å; T384-K391 HydrophobicContact CG2-CG 3.6Å; R389-K391 PolarHBondContact O-N 3.26Å; K391-M424 HydrophobicContact CB-CE 4.4Å
392T94.4Very high91.1Very high28 Ų2849.9 Ų49.917%0.17225%0.246CC..EExtended strand (participates in β ladder)trans-159.3158.7173.1-1680000108.8Y380 V382 N390 M424Y380-T392 HydrophobicContact CE2-CG2 4.31Å; V382-T392 HydrophobicContact CB-CG2 3.78Å; V382-T392 HydrophobicContact CG2-CG2 3.74Å; V382-T392 PolarHBondContact N-O 2.9Å; V382-T392 PolarHBondContact O-N 2.86Å; N390-T392 PolarHBondContact OD1-N 3.1Å; N390-T392 PolarHBondContact OD1-O 2.78Å; T392-M424 HydrophobicContact CG2-CB 4.42Å; T392-M424 HydrophobicContact CG2-CE 4.43Å; T392-M424 HydrophobicContact CG2-CG 4.2Å; T392-M424 HydrophobicContact CG2-SD 3.45Å; T392-M424 WeakPolarHBondContact CG2-SD 3.39Å
393F93.2Very high91Very high145 Ų14552.8 Ų52.864%0.63626%0.259SS*.EExtended strand (participates in β ladder)trans-145.4164.3173.257.5-85.7000109Y380 I381Y380-F393 CarbonylContact O-C 3.54Å; Y380-F393 WeakPolarHBondContact O-CA 3.32Å; Y380-F393 WeakPolarHBondContact O-CB 3.34Å; I381-F393 HydrophobicContact CG1-CB 4.08Å; I381-F393 HydrophobicContact CG2-CB 4.44Å
394G92.7Very high91Very high21 Ų2155.2 Ų55.222%0.21628%0.28CS..EExtended strand (participates in β ladder)trans-179.2176.8177.700000112.4E379 Y380E379-G394 WeakPolarHBondContact CA-O 3.44Å; Y380-G394 VanDerWaalsContact CD1-O 3.26Å; Y380-G394 WeakPolarHBondContact CD1-O 3.4Å; Y380-G394 PolarHBondContact N-O 3.12Å; Y380-G394 PolarHBondContact O-N 2.68Å
395Q90.2Very high91.1Very high117 Ų11756.4 Ų56.455%0.54729%0.285SS..EExtended strand (participates in β ladder)trans-86.1140.5171.8-63.7-160-13.700110.5G378 E379G378-Q395 WeakPolarHBondContact O-CA 3.38Å; E379-Q395 HydrophobicContact CG-CG 4.38Å
396G88.6Confident91.4Very high2 Ų257.2 Ų57.22%0.02129%0.292CS..  trans-177131.4-177.500000110.9G378 E379 E398 V411G378-G396 CarbonylContact C-O 3.59Å; G378-G396 VanDerWaalsContact CA-O 3.26Å; G378-G396 WeakPolarHBondContact CA-O 3.48Å; G378-G396 CarbonylContact O-C 3.57Å; G378-G396 PolarHBondContact O-N 3.4Å; E379-G396 PolarHBondContact N-O 3.03Å; G396-E398 VanDerWaalsContact C-N 3.34Å; G396-V411 VanDerWaalsContact CA-CG1 3.5Å
397L87.5Confident91.9Very high34 Ų3450.4 Ų50.418%0.17826%0.263CS..SBendtrans-70.3-35173.1-62.9175.7000111.5M1 R412M1-L397 HydrophobicContact CE-CD2 3.81Å; M1-L397 HydrophobicContact SD-CD2 4.31Å; L397-R412 WeakPolarHBondContact CB-O 3.16Å; L397-R412 PolarHBondContact N-O 3.32Å
398E91.6Very high92.5Very high27 Ų2748.3 Ų48.313%0.12625%0.246CC..EExtended strand (participates in β ladder)trans-145.7155.8179.1-78.8161.1-159.300110.7Y375 G396 V411 R412 Q438 I439Y375-E398 HydrophobicContact CE2-CG 4.48Å; G396-E398 VanDerWaalsContact C-N 3.34Å; E398-V411 WeakPolarHBondContact O-CA 3.38Å; E398-R412 HydrophobicContact CB-CB 4.13Å; E398-R412 VanDerWaalsContact CD-NE 3.33Å; E398-R412 VanDerWaalsContact CD-NH2 3.31Å; E398-R412 PolarHBondContact O-N 3.18Å; E398-R412 IonicContact OE1-CZ 3.72Å; E398-R412 IonicContact OE1-NE 3.93Å; E398-R412 IonicContact OE1-NH2 3.66Å; E398-R412 PolarHBondContact OE1-NH2 3.32Å; E398-R412 IonicContact OE2-CZ 3.46Å; E398-R412 IonicContact OE2-NE 2.66Å; E398-R412 PolarHBondContact OE2-NE 3.36Å; E398-R412 IonicContact OE2-NH2 3.41Å; E398-Q438 VanDerWaalsContact OE2-CA 3.23Å; E398-Q438 WeakPolarHBondContact OE2-CA 2.98Å; E398-I439 HydrophobicContact CB-CD1 4.21Å; E398-I439 HydrophobicContact CB-CG1 3.88Å; E398-I439 WeakPolarHBondContact OE2-CG1 3.41Å; E398-I439 PolarHBondContact OE2-N 3.3Å
399F95.7Very high93.2Very high0 Ų047.4 Ų47.40%024%0.241CC..EExtended strand (participates in β ladder)trans-135.7137.6177.5-175.5-71.6000109V373 Y375 Y380 V382 W401 Y409 A410 V411V373-F399 HydrophobicContact CB-CD1 3.98Å; V373-F399 HydrophobicContact CB-CE1 3.9Å; V373-F399 HydrophobicContact CB-CG 4.41Å; V373-F399 HydrophobicContact CB-CZ 4.2Å; V373-F399 HydrophobicContact CG1-CD1 3.65Å; V373-F399 HydrophobicContact CG1-CE1 3.89Å; V373-F399 HydrophobicContact CG1-CG 4.32Å; V373-F399 HydrophobicContact CG2-CB 4.34Å; V373-F399 HydrophobicContact CG2-CD1 3.8Å; V373-F399 HydrophobicContact CG2-CD2 3.77Å; V373-F399 HydrophobicContact CG2-CE1 3.99Å; V373-F399 HydrophobicContact CG2-CE2 3.92Å; V373-F399 HydrophobicContact CG2-CG 3.71Å; V373-F399 HydrophobicContact CG2-CZ 4.04Å; Y375-F399 HydrophobicContact CD1-CB 3.8Å; Y375-F399 HydrophobicContact CE1-CB 4.14Å; Y375-F399 HydrophobicContact CG-CB 4.19Å; Y380-F399 HydrophobicContact CD1-CD2 4.48Å; Y380-F399 AromaticContact CD2-CD2 3.63Å; Y380-F399 HydrophobicContact CD2-CD2 3.63Å; Y380-F399 AromaticContact CD2-CE2 3.76Å; Y380-F399 HydrophobicContact CD2-CE2 3.76Å; Y380-F399 HydrophobicContact CE2-CD2 4.13Å; Y380-F399 AromaticContact CE2-CE2 3.96Å; Y380-F399 HydrophobicContact CE2-CE2 3.96Å; Y380-F399 AromaticContact CG-CD2 3.84Å; Y380-F399 HydrophobicContact CG-CD2 3.84Å; Y380-F399 HydrophobicContact CG-CE2 4.44Å; V382-F399 HydrophobicContact CG2-CE2 3.82Å; V382-F399 HydrophobicContact CG2-CZ 3.96Å; F399-W401 AromaticContact CE1-CD2 3.66Å; F399-W401 HydrophobicContact CE1-CD2 3.66Å; F399-W401 AromaticContact CE1-CE2 3.39Å; F399-W401 HydrophobicContact CE1-CE3 4.17Å; F399-W401 HydrophobicContact CE1-CG 4.06Å; F399-W401 HydrophobicContact CE1-CH2 4.17Å; F399-W401 AromaticContact CE1-CZ2 3.68Å; F399-W401 HydrophobicContact CE1-CZ2 3.68Å; F399-W401 HydrophobicContact CE1-CZ3 4.41Å; F399-W401 AromaticContact CE1-NE1 3.65Å; F399-W401 HydrophobicContact CZ-CD2 4.21Å; F399-W401 AromaticContact CZ-CE2 3.89Å; F399-W401 HydrophobicContact CZ-CE3 4.32Å; F399-W401 AromaticContact CZ-CH2 3.79Å; F399-W401 HydrophobicContact CZ-CH2 3.79Å; F399-W401 AromaticContact CZ-CZ2 3.68Å; F399-W401 HydrophobicContact CZ-CZ2 3.68Å; F399-W401 HydrophobicContact CZ-CZ3 4.12Å; F399-Y409 HydrophobicContact CD2-CD2 4.03Å; F399-Y409 HydrophobicContact CD2-CE2 4.46Å; F399-Y409 HydrophobicContact CE1-CD2 4.33Å; F399-Y409 HydrophobicContact CE1-CG 4.22Å; F399-Y409 AromaticContact CE2-CD2 3.18Å; F399-Y409 HydrophobicContact CE2-CD2 3.18Å; F399-Y409 AromaticContact CE2-CE2 3.57Å; F399-Y409 HydrophobicContact CE2-CE2 3.57Å; F399-Y409 AromaticContact CE2-CG 3.76Å; F399-Y409 HydrophobicContact CE2-CG 3.76Å; F399-Y409 VanDerWaalsContact CZ-CB 3.47Å; F399-Y409 HydrophobicContact CZ-CD1 4.14Å; F399-Y409 AromaticContact CZ-CD2 3.36Å; F399-Y409 HydrophobicContact CZ-CD2 3.36Å; F399-Y409 HydrophobicContact CZ-CE2 4.08Å; F399-Y409 AromaticContact CZ-CG 3.39Å; F399-Y409 HydrophobicContact CZ-CG 3.39Å; F399-A410 WeakPolarHBondContact CA-O 3.28Å; F399-V411 HydrophobicContact CD2-CG2 3.74Å; F399-V411 HydrophobicContact CE2-CG2 4.19Å
400V96.7Very high93.6Very high12 Ų1238.9 Ų38.97%0.07321%0.209CC..EExtended strand (participates in β ladder)trans-141.8142.7174.1-62.80000112.3Y409 A410 I439 L445 W458V400-Y409 WeakPolarHBondContact O-CA 3.36Å; V400-Y409 WeakPolarHBondContact O-CB 3.24Å; V400-A410 HydrophobicContact CG2-CB 3.97Å; V400-A410 PolarHBondContact N-O 3Å; V400-A410 PolarHBondContact O-N 2.92Å; V400-I439 HydrophobicContact CG1-CD1 4.29Å; V400-I439 HydrophobicContact CG1-CG1 4.03Å; V400-I439 WeakPolarHBondContact CG1-O 3.39Å; V400-I439 HydrophobicContact CG2-CB 4.41Å; V400-I439 HydrophobicContact CG2-CD1 3.73Å; V400-I439 HydrophobicContact CG2-CG1 4.12Å; V400-L445 HydrophobicContact CG2-CD1 4.04Å; V400-W458 HydrophobicContact CG2-CH2 3.97Å
401W96.7Very high93.9Very high9 Ų935.2 Ų35.23%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-86148.3176.7-68.6107.7000112.8E364 N366 V373 V382 F399 Y409 G441 G442 W458E364-W401 PolarHBondContact O-NE1 3.26Å; N366-W401 HydrophobicContact CB-CD2 3.49Å; N366-W401 VanDerWaalsContact CB-CD2 3.49Å; N366-W401 HydrophobicContact CB-CE3 3.68Å; N366-W401 HydrophobicContact CB-CG 3.98Å; N366-W401 HydrophobicContact CB-CH2 4.21Å; N366-W401 HydrophobicContact CB-CZ2 4.01Å; N366-W401 HydrophobicContact CB-CZ3 4.04Å; V373-W401 HydrophobicContact CB-CZ2 4.08Å; V382-W401 HydrophobicContact CG1-CH2 3.93Å; V382-W401 HydrophobicContact CG1-CZ2 4.15Å; V382-W401 HydrophobicContact CG2-CH2 4.4Å; F399-W401 AromaticContact CE1-CD2 3.66Å; F399-W401 HydrophobicContact CE1-CD2 3.66Å; F399-W401 AromaticContact CE1-CE2 3.39Å; F399-W401 HydrophobicContact CE1-CE3 4.17Å; F399-W401 HydrophobicContact CE1-CG 4.06Å; F399-W401 HydrophobicContact CE1-CH2 4.17Å; F399-W401 AromaticContact CE1-CZ2 3.68Å; F399-W401 HydrophobicContact CE1-CZ2 3.68Å; F399-W401 HydrophobicContact CE1-CZ3 4.41Å; F399-W401 AromaticContact CE1-NE1 3.65Å; F399-W401 HydrophobicContact CZ-CD2 4.21Å; F399-W401 AromaticContact CZ-CE2 3.89Å; F399-W401 HydrophobicContact CZ-CE3 4.32Å; F399-W401 AromaticContact CZ-CH2 3.79Å; F399-W401 HydrophobicContact CZ-CH2 3.79Å; F399-W401 AromaticContact CZ-CZ2 3.68Å; F399-W401 HydrophobicContact CZ-CZ2 3.68Å; F399-W401 HydrophobicContact CZ-CZ3 4.12Å; W401-Y409 HydrophobicContact CE3-CD1 4.49Å; W401-Y409 HydrophobicContact CE3-CG 4.49Å; W401-Y409 HydrophobicContact CH2-CD1 4.42Å; W401-Y409 AromaticContact CZ3-CD1 3.83Å; W401-Y409 HydrophobicContact CZ3-CD1 3.83Å; W401-Y409 HydrophobicContact CZ3-CG 4.18Å; W401-G441 VanDerWaalsContact O-CA 3.23Å; W401-G441 WeakPolarHBondContact O-CA 3.49Å; W401-G442 PolarHBondContact O-N 2.84Å; W401-W458 WeakPolarHBondContact O-CZ2 3.4Å
402C96.7Very high94Very high3 Ų330.6 Ų30.62%0.0217%0.169CC..BIsolated β-bridgetrans-80.4128.9162-177.50000109.1S404 V408 W458C402-S404 PolarHBondContact SG-OG 3.36Å; C402-V408 HydrophobicContact CB-CB 3.71Å; C402-V408 HydrophobicContact CB-CG1 3.84Å; C402-V408 WeakPolarHBondContact CB-O 3.31Å; C402-V408 PolarHBondContact N-O 3.33Å; C402-W458 HydrophobicContact CB-CD2 3.91Å; C402-W458 HydrophobicContact CB-CE3 4.17Å; C402-W458 HydrophobicContact CB-CG 4.45Å; C402-W458 HydrophobicContact CB-CH2 4.02Å; C402-W458 HydrophobicContact CB-CZ2 3.82Å; C402-W458 HydrophobicContact CB-CZ3 4.2Å
403Q93.9Very high93.8Very high61 Ų6133 Ų3329%0.28518%0.178SC..SBendtrans-78.2-35.4-177.3-170.6170.9-3.600112.2A367 G442 Y443 N477A367-Q403 WeakPolarHBondContact CB-O 3.49Å; Q403-G442 PolarHBondContact N-O 3.26Å; Q403-Y443 HydrophobicContact CB-CD2 4.18Å; Q403-Y443 HydrophobicContact CB-CE2 4.31Å; Q403-Y443 HydrophobicContact CG-CD2 4.31Å; Q403-Y443 HydrophobicContact CG-CE2 4.02Å; Q403-N477 PolarHBondContact NE2-O 2.95Å
404S92.7Very high93.7Very high75 Ų7528.1 Ų28.152%0.52416%0.162SC..SBendtrans-79.5-25.8-178.957.40000114C402C402-S404 PolarHBondContact SG-OG 3.36Å
405D94.4Very high93.5Very high51 Ų5131.8 Ų31.827%0.27318%0.177SC..  trans-130.8100.1176.3-174.1-15.9000109.8G407 V408 K422D405-G407 PolarHBondContact O-N 3.21Å; D405-G407 PolarHBondContact OD1-N 3.05Å; D405-G407 VanDerWaalsContact OD1-N 3.08Å; D405-V408 HydrophobicContact CB-CB 4.23Å; D405-V408 HydrophobicContact CB-CG2 3.9Å; D405-V408 PolarHBondContact O-N 2.97Å; D405-V408 WeakPolarHBondContact OD2-CG2 3.14Å; D405-K422 VanDerWaalsContact OD2-CE 3.28Å; D405-K422 WeakPolarHBondContact OD2-CE 2.86Å; D405-K422 IonicContact OD2-NZ 3.37Å; D405-K422 PolarHBondContact OD2-NZ 3.31Å
406A92.3Very high93.6Very high20 Ų2028.5 Ų28.517%0.16517%0.17CC..THydrogen-bonded Turntrans-62.5-8.2-176.200000114.9N366 A367 N368N366-A406 PolarHBondContact ND2-O 3.44Å; A367-A406 HydrophobicContact CB-CB 4.45Å; N368-A406 HydrophobicContact CB-CB 4.24Å; N368-A406 WeakPolarHBondContact ND2-CB 3.18Å
407G93.5Very high93.9Very high20 Ų2029.7 Ų29.721%0.20618%0.177CC..THydrogen-bonded Turntrans-95.4-3.6173.100000114.3D405 K422 Q423D405-G407 PolarHBondContact O-N 3.21Å; D405-G407 PolarHBondContact OD1-N 3.05Å; D405-G407 VanDerWaalsContact OD1-N 3.08Å; G407-K422 CarbonylContact O-C 3.59Å; G407-K422 WeakPolarHBondContact O-CA 3.3Å; G407-Q423 PolarHBondContact O-N 3.04Å
408V96.6Very high94.3Very high2 Ų228.1 Ų28.11%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-106.7138.4-177.3177.20000110.4C402 D405 V420 Y421 K422 W458 L459C402-V408 HydrophobicContact CB-CB 3.71Å; C402-V408 HydrophobicContact CB-CG1 3.84Å; C402-V408 WeakPolarHBondContact CB-O 3.31Å; C402-V408 PolarHBondContact N-O 3.33Å; D405-V408 HydrophobicContact CB-CB 4.23Å; D405-V408 HydrophobicContact CB-CG2 3.9Å; D405-V408 PolarHBondContact O-N 2.97Å; D405-V408 WeakPolarHBondContact OD2-CG2 3.14Å; V408-V420 HydrophobicContact CG1-CG1 3.98Å; V408-Y421 VanDerWaalsContact CA-O 3.26Å; V408-Y421 WeakPolarHBondContact CA-O 3.27Å; V408-K422 HydrophobicContact CG2-CB 3.96Å; V408-K422 HydrophobicContact CG2-CD 3.82Å; V408-K422 HydrophobicContact CG2-CG 3.68Å; V408-W458 HydrophobicContact CG1-CD2 4.35Å; V408-W458 HydrophobicContact CG1-CE3 3.76Å; V408-W458 HydrophobicContact CG1-CZ3 4.26Å; V408-L459 HydrophobicContact CG2-CD2 4.35Å
409Y97.1Very high94.5Very high1 Ų128.6 Ų28.60%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-151.1161.6175.762.6-88.3000111Y380 F399 V400 W401 V411 V420 Y421 M424Y380-Y409 HydrophobicContact CE2-CE2 4.43Å; F399-Y409 HydrophobicContact CD2-CD2 4.03Å; F399-Y409 HydrophobicContact CD2-CE2 4.46Å; F399-Y409 HydrophobicContact CE1-CD2 4.33Å; F399-Y409 HydrophobicContact CE1-CG 4.22Å; F399-Y409 AromaticContact CE2-CD2 3.18Å; F399-Y409 HydrophobicContact CE2-CD2 3.18Å; F399-Y409 AromaticContact CE2-CE2 3.57Å; F399-Y409 HydrophobicContact CE2-CE2 3.57Å; F399-Y409 AromaticContact CE2-CG 3.76Å; F399-Y409 HydrophobicContact CE2-CG 3.76Å; F399-Y409 VanDerWaalsContact CZ-CB 3.47Å; F399-Y409 HydrophobicContact CZ-CD1 4.14Å; F399-Y409 AromaticContact CZ-CD2 3.36Å; F399-Y409 HydrophobicContact CZ-CD2 3.36Å; F399-Y409 HydrophobicContact CZ-CE2 4.08Å; F399-Y409 AromaticContact CZ-CG 3.39Å; F399-Y409 HydrophobicContact CZ-CG 3.39Å; V400-Y409 WeakPolarHBondContact O-CA 3.36Å; V400-Y409 WeakPolarHBondContact O-CB 3.24Å; W401-Y409 HydrophobicContact CE3-CD1 4.49Å; W401-Y409 HydrophobicContact CE3-CG 4.49Å; W401-Y409 HydrophobicContact CH2-CD1 4.42Å; W401-Y409 AromaticContact CZ3-CD1 3.83Å; W401-Y409 HydrophobicContact CZ3-CD1 3.83Å; W401-Y409 HydrophobicContact CZ3-CG 4.18Å; Y409-V411 HydrophobicContact CD2-CG2 3.88Å; Y409-V411 HydrophobicContact CE2-CG2 3.86Å; Y409-V420 WeakPolarHBondContact O-CA 3.33Å; Y409-Y421 AromaticContact CD2-CD2 3.89Å; Y409-Y421 HydrophobicContact CD2-CD2 3.89Å; Y409-Y421 HydrophobicContact CD2-CG 4.21Å; Y409-Y421 VanDerWaalsContact CE1-CB 3.45Å; Y409-Y421 HydrophobicContact CE1-CG 4.25Å; Y409-Y421 VanDerWaalsContact CE2-CB 3.48Å; Y409-Y421 HydrophobicContact CE2-CD1 4.29Å; Y409-Y421 AromaticContact CE2-CD2 3.33Å; Y409-Y421 HydrophobicContact CE2-CD2 3.33Å; Y409-Y421 HydrophobicContact CE2-CE2 4.14Å; Y409-Y421 AromaticContact CE2-CG 3.44Å; Y409-Y421 HydrophobicContact CE2-CG 3.44Å; Y409-Y421 VanDerWaalsContact CE2-CG 3.44Å; Y409-Y421 AromaticContact CZ-CD2 3.9Å; Y409-Y421 AromaticContact CZ-CG 3.46Å; Y409-Y421 VanDerWaalsContact CZ-CG 3.46Å; Y409-Y421 PolarHBondContact N-O 2.95Å; Y409-Y421 PolarHBondContact O-N 3.45Å; Y409-Y421 WeakPolarHBondContact OH-CB 3.3Å; Y409-Y421 WeakPolarHBondContact OH-CD1 3.31Å; Y409-M424 HydrophobicContact CD1-SD 4.48Å; Y409-M424 HydrophobicContact CE1-SD 3.49Å; Y409-M424 WeakPolarHBondContact CE1-SD 3.49Å
410A97.2Very high94.5Very high0 Ų028.6 Ų28.60%017%0.17CC..EExtended strand (participates in β ladder)trans-122147.2175.700000110.5F399 V400 V418 K419 V420 I439 L445 W458F399-A410 WeakPolarHBondContact CA-O 3.28Å; V400-A410 HydrophobicContact CG2-CB 3.97Å; V400-A410 PolarHBondContact N-O 3Å; V400-A410 PolarHBondContact O-N 2.92Å; A410-V418 HydrophobicContact CB-CG1 4.19Å; A410-K419 CarbonylContact C-O 3.54Å; A410-K419 WeakPolarHBondContact CA-O 3.39Å; A410-V420 HydrophobicContact CB-CG2 4Å; A410-I439 HydrophobicContact CB-CD1 4.36Å; A410-L445 HydrophobicContact CB-CD1 3.81Å; A410-L445 HydrophobicContact CB-CD2 4.32Å; A410-W458 HydrophobicContact CB-CE3 4.45Å; A410-W458 HydrophobicContact CB-CH2 4.11Å; A410-W458 HydrophobicContact CB-CZ3 3.55Å
411V96.8Very high94.5Very high1 Ų129.5 Ų29.51%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-127.8127.8176.1-176.80000108.7Y380 G396 E398 F399 Y409 E413 V418 K419 Y421Y380-V411 HydrophobicContact CD1-CG1 3.98Å; Y380-V411 HydrophobicContact CD1-CG2 4.24Å; Y380-V411 HydrophobicContact CE1-CB 4.38Å; Y380-V411 HydrophobicContact CE1-CG1 3.79Å; Y380-V411 HydrophobicContact CE1-CG2 3.78Å; Y380-V411 HydrophobicContact CE2-CG2 4.49Å; G396-V411 VanDerWaalsContact CA-CG1 3.5Å; E398-V411 WeakPolarHBondContact O-CA 3.38Å; F399-V411 HydrophobicContact CD2-CG2 3.74Å; F399-V411 HydrophobicContact CE2-CG2 4.19Å; Y409-V411 HydrophobicContact CD2-CG2 3.88Å; Y409-V411 HydrophobicContact CE2-CG2 3.86Å; V411-E413 PolarHBondContact O-N 2.88Å; V411-V418 CarbonylContact O-C 3.55Å; V411-V418 WeakPolarHBondContact O-CA 3.4Å; V411-K419 PolarHBondContact N-O 3.2Å; V411-K419 PolarHBondContact O-N 3.08Å; V411-Y421 HydrophobicContact CB-CE2 4.19Å; V411-Y421 HydrophobicContact CG2-CD2 4.19Å; V411-Y421 HydrophobicContact CG2-CE2 3.93Å
412R95.1Very high94.5Very high14 Ų1432.5 Ų32.55%0.05319%0.186CC..EExtended strand (participates in β ladder)trans-87.4100.3170.7-172.2169.769.488.5-1.9108.5L397 E398 S414 N415 V418 A436 E437 I439L397-R412 WeakPolarHBondContact CB-O 3.16Å; L397-R412 PolarHBondContact N-O 3.32Å; E398-R412 HydrophobicContact CB-CB 4.13Å; E398-R412 VanDerWaalsContact CD-NE 3.33Å; E398-R412 VanDerWaalsContact CD-NH2 3.31Å; E398-R412 PolarHBondContact O-N 3.18Å; E398-R412 IonicContact OE1-CZ 3.72Å; E398-R412 IonicContact OE1-NE 3.93Å; E398-R412 IonicContact OE1-NH2 3.66Å; E398-R412 PolarHBondContact OE1-NH2 3.32Å; E398-R412 IonicContact OE2-CZ 3.46Å; E398-R412 IonicContact OE2-NE 2.66Å; E398-R412 PolarHBondContact OE2-NE 3.36Å; E398-R412 IonicContact OE2-NH2 3.41Å; R412-S414 VanDerWaalsContact CG-O 3.27Å; R412-S414 WeakPolarHBondContact CG-O 3.36Å; R412-N415 PolarHBondContact NH1-OD1 2.86Å; R412-V418 HydrophobicContact CB-CG2 4.33Å; R412-V418 HydrophobicContact CG-CG2 4.13Å; R412-A436 HydrophobicContact CG-CB 4.44Å; R412-A436 PolarHBondContact NH1-O 3.21Å; R412-A436 VanDerWaalsContact NH1-O 3.14Å; R412-E437 VanDerWaalsContact CZ-O 3.22Å; R412-E437 PolarHBondContact NH2-O 3.4Å; R412-I439 HydrophobicContact CB-CD1 3.84Å; R412-I439 HydrophobicContact CB-CG1 4.14Å; R412-I439 HydrophobicContact CB-CG2 4.41Å
413E91.3Very high94.3Very high77 Ų7739.6 Ų39.636%0.3622%0.219SC..EExtended strand (participates in β ladder)trans-75.3-36.1-178.3-175.6177.8-135.400111.4V411 V417 K419V411-E413 PolarHBondContact O-N 2.88Å; E413-V417 PolarHBondContact N-O 2.61Å; E413-K419 IonicContact OE1-NZ 2.77Å; E413-K419 PolarHBondContact OE1-NZ 2.8Å; E413-K419 WeakPolarHBondContact OE2-CE 3.41Å; E413-K419 IonicContact OE2-NZ 2.82Å; E413-K419 PolarHBondContact OE2-NZ 3.39Å
414S90.2Very high94.3Very high43 Ų4339.1 Ų39.130%0.30122%0.217SC..EExtended strand (participates in β ladder)trans-150.2176175.868.10000110.1R412 A416 V417R412-S414 VanDerWaalsContact CG-O 3.27Å; R412-S414 WeakPolarHBondContact CG-O 3.36Å; S414-A416 PolarHBondContact O-N 3.37Å; S414-A416 PolarHBondContact OG-N 3.34Å; S414-V417 PolarHBondContact N-O 3.34Å; S414-V417 PolarHBondContact O-N 2.76Å; S414-V417 PolarHBondContact OG-N 2.99Å
415N88.5Confident94.4Very high98 Ų9843.3 Ų43.352%0.52423%0.226SC..THydrogen-bonded Turntrans-58.1-28.2172.1-68.91.3000111.9R412 G435 A436R412-N415 PolarHBondContact NH1-OD1 2.86Å; N415-G435 CarbonylContact O-C 3.46Å; N415-G435 WeakPolarHBondContact O-CA 3.14Å; N415-A436 PolarHBondContact O-N 3.44Å
416A92.4Very high94.4Very high49 Ų4945.7 Ų45.741%0.40524%0.235SC..THydrogen-bonded Turntrans-95.4-11.7-177.200000114.4S414 K431 L432S414-A416 PolarHBondContact O-N 3.37Å; S414-A416 PolarHBondContact OG-N 3.34Å; A416-K431 WeakPolarHBondContact O-CA 3.27Å; A416-L432 PolarHBondContact O-N 2.59Å
417V94.6Very high94.5Very high27 Ų2748.7 Ų48.716%0.16425%0.251CS..EExtended strand (participates in β ladder)trans-134.6123.2-166.6-176.60000111.7E413 S414 K419 T429 F430E413-V417 PolarHBondContact N-O 2.61Å; S414-V417 PolarHBondContact N-O 3.34Å; S414-V417 PolarHBondContact O-N 2.76Å; S414-V417 PolarHBondContact OG-N 2.99Å; V417-K419 HydrophobicContact CG1-CG 4.2Å; V417-T429 HydrophobicContact CG1-CG2 3.79Å; V417-F430 WeakPolarHBondContact CA-O 3.5Å
418V95.5Very high94.5Very high1 Ų152.4 Ų52.41%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-118.9128.3169.8178.20000108.8A410 V411 R412 F430 L432 A436 I439 L445A410-V418 HydrophobicContact CB-CG1 4.19Å; V411-V418 CarbonylContact O-C 3.55Å; V411-V418 WeakPolarHBondContact O-CA 3.4Å; R412-V418 HydrophobicContact CB-CG2 4.33Å; R412-V418 HydrophobicContact CG-CG2 4.13Å; V418-F430 HydrophobicContact CB-CB 4.23Å; V418-F430 PolarHBondContact N-O 3.2Å; V418-F430 WeakPolarHBondContact O-CB 3.45Å; V418-F430 PolarHBondContact O-N 3.31Å; V418-L432 HydrophobicContact CG2-CD1 3.73Å; V418-A436 HydrophobicContact CG2-CB 4.31Å; V418-I439 HydrophobicContact CG1-CG2 4.42Å; V418-I439 HydrophobicContact CG2-CG2 3.9Å; V418-L445 HydrophobicContact CG1-CD2 4.29Å
419K96.2Very high94.3Very high36 Ų3654.9 Ų54.916%0.15728%0.275CS..EExtended strand (participates in β ladder)trans-109.5137.3179.2-66.1-177.2172.31620110A410 V411 E413 V417 Y421 R428 T429A410-K419 CarbonylContact C-O 3.54Å; A410-K419 WeakPolarHBondContact CA-O 3.39Å; V411-K419 PolarHBondContact N-O 3.2Å; V411-K419 PolarHBondContact O-N 3.08Å; E413-K419 IonicContact OE1-NZ 2.77Å; E413-K419 PolarHBondContact OE1-NZ 2.8Å; E413-K419 WeakPolarHBondContact OE2-CE 3.41Å; E413-K419 IonicContact OE2-NZ 2.82Å; E413-K419 PolarHBondContact OE2-NZ 3.39Å; V417-K419 HydrophobicContact CG1-CG 4.2Å; K419-Y421 HydrophobicContact CB-CD2 4.41Å; K419-Y421 HydrophobicContact CB-CE2 3.56Å; K419-Y421 WeakPolarHBondContact CD-OH 3.45Å; K419-R428 CarbonylContact C-O 3.53Å; K419-R428 WeakPolarHBondContact CA-O 3.38Å; K419-T429 HydrophobicContact CG-CG2 4.42Å
420V96.9Very high93.9Very high0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-111.1134.5175174.70000109.7V408 Y409 A410 V427 R428 F430 L445 W458V408-V420 HydrophobicContact CG1-CG1 3.98Å; Y409-V420 WeakPolarHBondContact O-CA 3.33Å; A410-V420 HydrophobicContact CB-CG2 4Å; V420-V427 PolarHBondContact O-N 2.82Å; V420-R428 HydrophobicContact CB-CB 4.3Å; V420-R428 PolarHBondContact N-O 2.95Å; V420-R428 PolarHBondContact O-N 3Å; V420-F430 HydrophobicContact CB-CE2 4.39Å; V420-F430 HydrophobicContact CG2-CD2 4.17Å; V420-F430 HydrophobicContact CG2-CE2 3.53Å; V420-L445 HydrophobicContact CG2-CD2 4.11Å; V420-W458 HydrophobicContact CG1-CE3 4.25Å; V420-W458 HydrophobicContact CG2-CE3 4.35Å
421Y96.8Very high93.5Very high32 Ų3264.1 Ų64.113%0.12532%0.315CS..EExtended strand (participates in β ladder)trans-120.1145.2-178.3-62.8-99.2000109.8V408 Y409 V411 K419 K425 E426V408-Y421 VanDerWaalsContact CA-O 3.26Å; V408-Y421 WeakPolarHBondContact CA-O 3.27Å; Y409-Y421 AromaticContact CD2-CD2 3.89Å; Y409-Y421 HydrophobicContact CD2-CD2 3.89Å; Y409-Y421 HydrophobicContact CD2-CG 4.21Å; Y409-Y421 VanDerWaalsContact CE1-CB 3.45Å; Y409-Y421 HydrophobicContact CE1-CG 4.25Å; Y409-Y421 VanDerWaalsContact CE2-CB 3.48Å; Y409-Y421 HydrophobicContact CE2-CD1 4.29Å; Y409-Y421 AromaticContact CE2-CD2 3.33Å; Y409-Y421 HydrophobicContact CE2-CD2 3.33Å; Y409-Y421 HydrophobicContact CE2-CE2 4.14Å; Y409-Y421 AromaticContact CE2-CG 3.44Å; Y409-Y421 HydrophobicContact CE2-CG 3.44Å; Y409-Y421 VanDerWaalsContact CE2-CG 3.44Å; Y409-Y421 AromaticContact CZ-CD2 3.9Å; Y409-Y421 AromaticContact CZ-CG 3.46Å; Y409-Y421 VanDerWaalsContact CZ-CG 3.46Å; Y409-Y421 PolarHBondContact N-O 2.95Å; Y409-Y421 PolarHBondContact O-N 3.45Å; Y409-Y421 WeakPolarHBondContact OH-CB 3.3Å; Y409-Y421 WeakPolarHBondContact OH-CD1 3.31Å; V411-Y421 HydrophobicContact CB-CE2 4.19Å; V411-Y421 HydrophobicContact CG2-CD2 4.19Å; V411-Y421 HydrophobicContact CG2-CE2 3.93Å; K419-Y421 HydrophobicContact CB-CD2 4.41Å; K419-Y421 HydrophobicContact CB-CE2 3.56Å; K419-Y421 WeakPolarHBondContact CD-OH 3.45Å; Y421-K425 CarbonylContact C-O 3.53Å; Y421-K425 WeakPolarHBondContact CA-O 2.98Å; Y421-E426 HydrophobicContact CD1-CB 3.96Å; Y421-E426 VanDerWaalsContact CD1-N 3.34Å; Y421-E426 HydrophobicContact CE1-CB 3.7Å; Y421-E426 HydrophobicContact CE1-CG 4.24Å
422K95.6Very high93Very high71 Ų7165.1 Ų65.131%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-129.9125.8170.2-175.4163.5-175.1148.90108.3D405 G407 V408 M424 K425 V427 L459D405-K422 VanDerWaalsContact OD2-CE 3.28Å; D405-K422 WeakPolarHBondContact OD2-CE 2.86Å; D405-K422 IonicContact OD2-NZ 3.37Å; D405-K422 PolarHBondContact OD2-NZ 3.31Å; G407-K422 CarbonylContact O-C 3.59Å; G407-K422 WeakPolarHBondContact O-CA 3.3Å; V408-K422 HydrophobicContact CG2-CB 3.96Å; V408-K422 HydrophobicContact CG2-CD 3.82Å; V408-K422 HydrophobicContact CG2-CG 3.68Å; K422-M424 PolarHBondContact O-N 2.64Å; K422-K425 PolarHBondContact N-O 2.95Å; K422-K425 PolarHBondContact O-N 3.18Å; K422-V427 HydrophobicContact CB-CG2 3.39Å; K422-V427 VanDerWaalsContact N-CG2 3.26Å; K422-L459 HydrophobicContact CD-CD2 4.25Å
423Q93.2Very high92.4Very high152 Ų15271.7 Ų71.771%0.7136%0.356SS*.THydrogen-bonded Turntrans51.245.1-175.9-59.3179.7-3.900112.3G407 K425G407-Q423 PolarHBondContact O-N 3.04Å; Q423-K425 PolarHBondContact O-N 2.75Å
424M92.7Very high91.8Very high51 Ų5174.6 Ų74.625%0.25137%0.365SS..THydrogen-bonded Turntrans63.814.6-179.4-42.5-55178.200115.4Y371 V382 K391 T392 Y409 K422Y371-M424 HydrophobicContact CD1-CE 4.49Å; Y371-M424 HydrophobicContact CD2-CE 4.41Å; Y371-M424 HydrophobicContact CE1-CE 4.48Å; Y371-M424 HydrophobicContact CE2-CE 4.41Å; Y371-M424 HydrophobicContact CG-CE 4.47Å; V382-M424 HydrophobicContact CB-CE 4.45Å; V382-M424 HydrophobicContact CG1-CE 3.76Å; K391-M424 HydrophobicContact CB-CE 4.4Å; T392-M424 HydrophobicContact CG2-CB 4.42Å; T392-M424 HydrophobicContact CG2-CE 4.43Å; T392-M424 HydrophobicContact CG2-CG 4.2Å; T392-M424 HydrophobicContact CG2-SD 3.45Å; T392-M424 WeakPolarHBondContact CG2-SD 3.39Å; Y409-M424 HydrophobicContact CD1-SD 4.48Å; Y409-M424 HydrophobicContact CE1-SD 3.49Å; Y409-M424 WeakPolarHBondContact CE1-SD 3.49Å; K422-M424 PolarHBondContact O-N 2.64Å
425K94.5Very high91.5Very high163 Ų16373.5 Ų73.571%0.70936%0.36SS*.EExtended strand (participates in β ladder)trans-113.1134.8171.5-70-174178.1-1780110.1Y421 K422 Q423 V427Y421-K425 CarbonylContact C-O 3.53Å; Y421-K425 WeakPolarHBondContact CA-O 2.98Å; K422-K425 PolarHBondContact N-O 2.95Å; K422-K425 PolarHBondContact O-N 3.18Å; Q423-K425 PolarHBondContact O-N 2.75Å; K425-V427 WeakPolarHBondContact O-CG2 3.48Å; K425-V427 PolarHBondContact O-N 2.83Å
426E94.7Very high91.6Very high101 Ų10168.9 Ų68.947%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-61.5131.2174.2-169.1-175.4137.300109.2Y421 T429Y421-E426 HydrophobicContact CD1-CB 3.96Å; Y421-E426 VanDerWaalsContact CD1-N 3.34Å; Y421-E426 HydrophobicContact CE1-CB 3.7Å; Y421-E426 HydrophobicContact CE1-CG 4.24Å; E426-T429 PolarHBondContact OE1-OG1 2.91Å
427V95.5Very high91.6Very high83 Ų8370.3 Ų70.350%0.50333%0.334SS..EExtended strand (participates in β ladder)trans-117.7-29.2179.1-149.70000111.1V420 K422 K425V420-V427 PolarHBondContact O-N 2.82Å; K422-V427 HydrophobicContact CB-CG2 3.39Å; K422-V427 VanDerWaalsContact N-CG2 3.26Å; K425-V427 WeakPolarHBondContact O-CG2 3.48Å; K425-V427 PolarHBondContact O-N 2.83Å
428R92.1Very high91.5Very high98 Ų9871.5 Ų71.537%0.3734%0.338SS..EExtended strand (participates in β ladder)trans-152.5147.9-176.2-166.9169.4-70.4-90.21.8111.5K419 V420 F430 L459 T460K419-R428 CarbonylContact C-O 3.53Å; K419-R428 WeakPolarHBondContact CA-O 3.38Å; V420-R428 HydrophobicContact CB-CB 4.3Å; V420-R428 PolarHBondContact N-O 2.95Å; V420-R428 PolarHBondContact O-N 3Å; R428-F430 HydrophobicContact CB-CE2 4.37Å; R428-F430 HydrophobicContact CG-CD2 4.32Å; R428-F430 HydrophobicContact CG-CE2 3.9Å; R428-F430 HydrophobicContact CG-CZ 4.28Å; R428-L459 PolarHBondContact NE-O 2.97Å; R428-L459 PolarHBondContact NH2-O 2.9Å; R428-T460 VanDerWaalsContact CZ-C 3.48Å; R428-T460 PolarHBondContact NH1-O 2.72Å; R428-T460 PolarHBondContact NH2-O 2.79Å
429T94.4Very high91.6Very high55 Ų5571.7 Ų71.734%0.33734%0.338SS..EExtended strand (participates in β ladder)trans-126123.3170-75.50000108.6V417 K419 E426V417-T429 HydrophobicContact CG1-CG2 3.79Å; K419-T429 HydrophobicContact CG-CG2 4.42Å; E426-T429 PolarHBondContact OE1-OG1 2.91Å
430F87.8Confident91.6Very high20 Ų2070.6 Ų70.69%0.08833%0.334CS..EExtended strand (participates in β ladder)trans-93.7122.3172.4-63.7-99.3000108.7V417 V418 V420 R428 L432 L445 Y456 G461V417-F430 WeakPolarHBondContact CA-O 3.5Å; V418-F430 HydrophobicContact CB-CB 4.23Å; V418-F430 PolarHBondContact N-O 3.2Å; V418-F430 WeakPolarHBondContact O-CB 3.45Å; V418-F430 PolarHBondContact O-N 3.31Å; V420-F430 HydrophobicContact CB-CE2 4.39Å; V420-F430 HydrophobicContact CG2-CD2 4.17Å; V420-F430 HydrophobicContact CG2-CE2 3.53Å; R428-F430 HydrophobicContact CB-CE2 4.37Å; R428-F430 HydrophobicContact CG-CD2 4.32Å; R428-F430 HydrophobicContact CG-CE2 3.9Å; R428-F430 HydrophobicContact CG-CZ 4.28Å; F430-L432 HydrophobicContact CB-CD2 4.45Å; F430-L445 HydrophobicContact CE2-CD2 4.25Å; F430-L445 HydrophobicContact CZ-CD2 4.45Å; F430-Y456 HydrophobicContact CD1-CD1 4.38Å; F430-Y456 AromaticContact CE1-CD1 3.96Å; F430-Y456 HydrophobicContact CE1-CD1 3.96Å; F430-Y456 HydrophobicContact CE1-CG 4.28Å; F430-G461 VanDerWaalsContact CZ-CA 3.42Å
431K88.7Confident91.5Very high175 Ų17571.5 Ų71.576%0.76134%0.343SS*.EExtended strand (participates in β ladder)trans-99119.1165.8-68.1-173.4178.7-176.70107.6A416A416-K431 WeakPolarHBondContact O-CA 3.27Å
432L86.6Confident91.4Very high22 Ų2270.2 Ų70.212%0.11534%0.339CS..  trans-105.8121.4-171-62.8169.3000110.1A416 V418 F430 A436 V447A416-L432 PolarHBondContact O-N 2.59Å; V418-L432 HydrophobicContact CG2-CD1 3.73Å; F430-L432 HydrophobicContact CB-CD2 4.45Å; L432-A436 HydrophobicContact CD1-CB 3.51Å; L432-V447 HydrophobicContact CD1-CG1 3.79Å
433D81.3Confident91.4Very high152 Ų15269.9 Ų69.981%0.81334%0.337SS*.THydrogen-bonded Turntrans-69-34.8-177.4-60.8-33000112.8
434Y78.8Confident91.6Very high138 Ų13862.9 Ų62.954%0.54130%0.304SS..THydrogen-bonded Turntrans-93.5-3.4-174.4-55.5-80.7000113.9
435G85.6Confident91.8Very high20 Ų2060.4 Ų60.421%0.20629%0.292CS..  trans71.9136.8-172.100000113.8N415 S449N415-G435 CarbonylContact O-C 3.46Å; N415-G435 WeakPolarHBondContact O-CA 3.14Å; G435-S449 WeakPolarHBondContact O-CB 3.43Å
436A90.5Very high91.9Very high1 Ų152.7 Ų52.71%0.00826%0.258CS..  trans-90120.7167.100000110.4R412 N415 V418 L432 V447 R448R412-A436 HydrophobicContact CG-CB 4.44Å; R412-A436 PolarHBondContact NH1-O 3.21Å; R412-A436 VanDerWaalsContact NH1-O 3.14Å; N415-A436 PolarHBondContact O-N 3.44Å; V418-A436 HydrophobicContact CG2-CB 4.31Å; L432-A436 HydrophobicContact CD1-CB 3.51Å; A436-V447 HydrophobicContact CB-CG1 3.61Å; A436-R448 WeakPolarHBondContact CA-O 3.26Å
437E91.8Very high91.9Very high78 Ų7848.2 Ų48.236%0.36424%0.238SC..SBendtrans-81.1-42.3167.5-68.3-172.7164.200111.3R412 R448 L450R412-E437 VanDerWaalsContact CZ-O 3.22Å; R412-E437 PolarHBondContact NH2-O 3.4Å; E437-R448 PolarHBondContact N-O 2.8Å; E437-R448 IonicContact OE2-NE 2.81Å; E437-L450 WeakPolarHBondContact OE1-CD1 3.27Å; E437-L450 WeakPolarHBondContact OE1-CG 3.3Å
438Q93.1Very high91.9Very high53 Ų5346.1 Ų46.125%0.24822%0.221CC..EExtended strand (participates in β ladder)trans-149.1146-177.9-168167.7-2.600111.2E398 F440 R448E398-Q438 VanDerWaalsContact OE2-CA 3.23Å; E398-Q438 WeakPolarHBondContact OE2-CA 2.98Å; Q438-F440 HydrophobicContact CG-CE1 4.24Å; Q438-F440 HydrophobicContact CG-CZ 4.09Å; Q438-R448 HydrophobicContact CB-CB 4.34Å; Q438-R448 PolarHBondContact N-O 2.93Å; Q438-R448 PolarHBondContact O-N 2.87Å; Q438-R448 VanDerWaalsContact OE1-CZ 3.23Å
439I96.1Very high91.9Very high4 Ų441.7 Ų41.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-112.1151.4171.355.5168.5000111.9E398 V400 A410 R412 V418 G446 V447E398-I439 HydrophobicContact CB-CD1 4.21Å; E398-I439 HydrophobicContact CB-CG1 3.88Å; E398-I439 WeakPolarHBondContact OE2-CG1 3.41Å; E398-I439 PolarHBondContact OE2-N 3.3Å; V400-I439 HydrophobicContact CG1-CD1 4.29Å; V400-I439 HydrophobicContact CG1-CG1 4.03Å; V400-I439 WeakPolarHBondContact CG1-O 3.39Å; V400-I439 HydrophobicContact CG2-CB 4.41Å; V400-I439 HydrophobicContact CG2-CD1 3.73Å; V400-I439 HydrophobicContact CG2-CG1 4.12Å; A410-I439 HydrophobicContact CB-CD1 4.36Å; R412-I439 HydrophobicContact CB-CD1 3.84Å; R412-I439 HydrophobicContact CB-CG1 4.14Å; R412-I439 HydrophobicContact CB-CG2 4.41Å; V418-I439 HydrophobicContact CG1-CG2 4.42Å; V418-I439 HydrophobicContact CG2-CG2 3.9Å; I439-G446 CarbonylContact C-O 3.57Å; I439-G446 VanDerWaalsContact CA-O 3.31Å; I439-G446 WeakPolarHBondContact CA-O 3.41Å; I439-V447 HydrophobicContact CG2-CG1 4.42Å; I439-V447 HydrophobicContact CG2-CG2 4.22Å
440F96.7Very high91.6Very high14 Ų1445.6 Ų45.66%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-128.2133.9-179.6-60-73.7000111.3Q438 G446 R448 L453 V474Q438-F440 HydrophobicContact CG-CE1 4.24Å; Q438-F440 HydrophobicContact CG-CZ 4.09Å; F440-G446 PolarHBondContact N-O 3.02Å; F440-G446 PolarHBondContact O-N 3.47Å; F440-R448 HydrophobicContact CE2-CB 3.95Å; F440-L453 HydrophobicContact CD2-CD1 3.84Å; F440-L453 HydrophobicContact CE2-CD1 4.08Å; F440-V474 HydrophobicContact CB-CB 3.86Å; F440-V474 HydrophobicContact CB-CG1 4.41Å; F440-V474 HydrophobicContact CB-CG2 4.22Å; F440-V474 HydrophobicContact CD1-CB 3.9Å; F440-V474 HydrophobicContact CD1-CG2 3.96Å; F440-V474 HydrophobicContact CD2-CB 4.13Å; F440-V474 HydrophobicContact CD2-CG2 3.53Å; F440-V474 HydrophobicContact CE1-CB 4.48Å; F440-V474 HydrophobicContact CE1-CG2 4.18Å; F440-V474 HydrophobicContact CE2-CG2 3.74Å; F440-V474 HydrophobicContact CG-CB 3.71Å; F440-V474 HydrophobicContact CG-CG2 3.64Å; F440-V474 HydrophobicContact CZ-CG2 4.08Å
441G95.2Very high91.4Very high19 Ų1948.7 Ų48.720%0.19624%0.244CC..  trans-78.7176.4172.400000112.6W401W401-G441 VanDerWaalsContact O-CA 3.23Å; W401-G441 WeakPolarHBondContact O-CA 3.49Å
442G95.3Very high91.6Very high4 Ų440.6 Ų40.64%0.04121%0.21CC..BIsolated β-bridgetrans135.2-155-179.700000113.1W401 Q403 L444 W458W401-G442 PolarHBondContact O-N 2.84Å; Q403-G442 PolarHBondContact N-O 3.26Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-W458 PolarHBondContact O-NE1 3.1Å; G442-W458 VanDerWaalsContact O-NE1 3.14Å
443Y95.2Very high92Very high64 Ų6439.6 Ų39.625%0.25121%0.205SC..SBendtrans-71.3-30176.4-89.5-102.9000113Q403 W458 W476 E478 G480Q403-Y443 HydrophobicContact CB-CD2 4.18Å; Q403-Y443 HydrophobicContact CB-CE2 4.31Å; Q403-Y443 HydrophobicContact CG-CD2 4.31Å; Q403-Y443 HydrophobicContact CG-CE2 4.02Å; Y443-W458 VanDerWaalsContact O-CD1 3.3Å; Y443-W458 PolarHBondContact O-NE1 3.02Å; Y443-W476 HydrophobicContact CD2-CB 4.37Å; Y443-E478 PolarHBondContact OH-O 3.14Å; Y443-G480 VanDerWaalsContact CE2-N 3.34Å; Y443-G480 VanDerWaalsContact CG-CA 3.45Å
444L96.7Very high92.6Very high5 Ų532.6 Ų32.63%0.02617%0.168CC..SBendtrans-122.9152.8171.5-62.7176.5000109.2G442 G446 F455 I464 W476 Y496 F523G442-L444 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 3.04Å; L444-F455 HydrophobicContact CB-CB 4.23Å; L444-F455 HydrophobicContact CB-CD1 3.85Å; L444-F455 HydrophobicContact CB-CG 4.35Å; L444-F455 HydrophobicContact CD1-CB 4Å; L444-F455 HydrophobicContact CD1-CG 4.33Å; L444-I464 HydrophobicContact CD1-CB 4.08Å; L444-I464 HydrophobicContact CD1-CG1 4.12Å; L444-I464 HydrophobicContact CD1-CG2 3.81Å; L444-I464 HydrophobicContact CD2-CG1 3.96Å; L444-W476 HydrophobicContact CB-CZ2 4.06Å; L444-W476 HydrophobicContact CD1-CH2 4.05Å; L444-W476 HydrophobicContact CD1-CZ2 4.22Å; L444-W476 HydrophobicContact CG-CH2 4.26Å; L444-W476 HydrophobicContact CG-CZ2 4.25Å; L444-Y496 HydrophobicContact CD1-CD2 4.26Å; L444-Y496 HydrophobicContact CD1-CE1 4.36Å; L444-Y496 HydrophobicContact CD1-CE2 3.82Å; L444-F523 HydrophobicContact CD1-CE2 4.32Å; L444-F523 HydrophobicContact CD1-CZ 3.98Å
445L96.9Very high93.4Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-78.9111.5174.2175.762.4000108.4V400 A410 V418 V420 F430 V447 F455 Y456 W458V400-L445 HydrophobicContact CG2-CD1 4.04Å; A410-L445 HydrophobicContact CB-CD1 3.81Å; A410-L445 HydrophobicContact CB-CD2 4.32Å; V418-L445 HydrophobicContact CG1-CD2 4.29Å; V420-L445 HydrophobicContact CG2-CD2 4.11Å; F430-L445 HydrophobicContact CE2-CD2 4.25Å; F430-L445 HydrophobicContact CZ-CD2 4.45Å; L445-V447 HydrophobicContact CG-CG2 4.26Å; L445-F455 WeakPolarHBondContact O-CA 3.26Å; L445-Y456 PolarHBondContact N-O 2.86Å; L445-Y456 PolarHBondContact O-N 2.88Å; L445-W458 HydrophobicContact CB-CD2 3.92Å; L445-W458 HydrophobicContact CB-CE3 4.25Å; L445-W458 HydrophobicContact CB-CG 4.34Å; L445-W458 HydrophobicContact CB-CZ2 4.26Å; L445-W458 HydrophobicContact CD1-CH2 3.97Å; L445-W458 HydrophobicContact CD1-CZ2 4.23Å; L445-W458 HydrophobicContact CD1-CZ3 4.13Å
446G96.6Very high93.8Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-86.1132.6173.700000110.7I439 F440 L444I439-G446 CarbonylContact C-O 3.57Å; I439-G446 VanDerWaalsContact CA-O 3.31Å; I439-G446 WeakPolarHBondContact CA-O 3.41Å; F440-G446 PolarHBondContact N-O 3.02Å; F440-G446 PolarHBondContact O-N 3.47Å; L444-G446 PolarHBondContact O-N 3.04Å
447V95.8Very high93.9Very high8 Ų828.3 Ų28.35%0.04815%0.148CC..EExtended strand (participates in β ladder)trans-126.9114.4174-175.50000108.6L432 A436 I439 L445 T454 Y456L432-V447 HydrophobicContact CD1-CG1 3.79Å; A436-V447 HydrophobicContact CB-CG1 3.61Å; I439-V447 HydrophobicContact CG2-CG1 4.42Å; I439-V447 HydrophobicContact CG2-CG2 4.22Å; L445-V447 HydrophobicContact CG-CG2 4.26Å; V447-T454 PolarHBondContact N-O 3.14Å; V447-T454 PolarHBondContact O-N 2.98Å; V447-Y456 HydrophobicContact CB-CD2 4.34Å; V447-Y456 HydrophobicContact CB-CE2 3.9Å; V447-Y456 HydrophobicContact CG2-CD2 3.73Å; V447-Y456 HydrophobicContact CG2-CE2 3.65Å
448R95.4Very high94Very high38 Ų3825 Ų2514%0.14313%0.132CC..EExtended strand (participates in β ladder)trans-88.8134.4173.9-166.317975.8-160.7-9.4110.3A436 E437 Q438 F440 L453 N470 P471A436-R448 WeakPolarHBondContact CA-O 3.26Å; E437-R448 PolarHBondContact N-O 2.8Å; E437-R448 IonicContact OE2-NE 2.81Å; Q438-R448 HydrophobicContact CB-CB 4.34Å; Q438-R448 PolarHBondContact N-O 2.93Å; Q438-R448 PolarHBondContact O-N 2.87Å; Q438-R448 VanDerWaalsContact OE1-CZ 3.23Å; F440-R448 HydrophobicContact CE2-CB 3.95Å; R448-L453 HydrophobicContact CB-CD1 4.42Å; R448-N470 WeakPolarHBondContact CD-OD1 3.44Å; R448-N470 WeakPolarHBondContact CG-OD1 3.01Å; R448-P471 WeakPolarHBondContact CD-O 3.37Å; R448-P471 PolarHBondContact NH1-O 2.99Å
449S92.4Very high93.9Very high6 Ų625.8 Ų25.84%0.04214%0.138CC..EExtended strand (participates in β ladder)trans-129.8172.1175.961.80000109.1G435 T451 G452 N470G435-S449 WeakPolarHBondContact O-CB 3.43Å; S449-T451 PolarHBondContact O-N 3.44Å; S449-T451 PolarHBondContact OG-OG1 3.14Å; S449-T451 VanDerWaalsContact OG-OG1 3.04Å; S449-G452 PolarHBondContact N-O 2.91Å; S449-G452 PolarHBondContact O-N 2.9Å; S449-G452 PolarHBondContact OG-O 2.7Å; S449-N470 PolarHBondContact O-OD1 3.45Å; S449-N470 VanDerWaalsContact O-OD1 3.14Å
450L86.4Confident93.5Very high137 Ų13728.3 Ų28.372%0.71715%0.153SC*.THydrogen-bonded Turntrans-53.7-27.8174.6-110.5127.6000113.5E437E437-L450 WeakPolarHBondContact OE1-CD1 3.27Å; E437-L450 WeakPolarHBondContact OE1-CG 3.3Å
451T85.1Confident93Very high84 Ų8428.4 Ų28.452%0.51516%0.158SC..THydrogen-bonded Turntrans-90.2-8.8-178.154.90000114S449S449-T451 PolarHBondContact O-N 3.44Å; S449-T451 PolarHBondContact OG-OG1 3.14Å; S449-T451 VanDerWaalsContact OG-OG1 3.04Å
452G91.5Very high92.7Very high5 Ų529.6 Ų29.65%0.05216%0.157CC..EExtended strand (participates in β ladder)trans134.2-163.2-177.900000113.9S449 N469S449-G452 PolarHBondContact N-O 2.91Å; S449-G452 PolarHBondContact O-N 2.9Å; S449-G452 PolarHBondContact OG-O 2.7Å; G452-N469 CarbonylContact C-O 3.53Å; G452-N469 WeakPolarHBondContact CA-O 3.35Å
453L95.4Very high92.5Very high1 Ų131.9 Ų31.91%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-102.4128.6-175.6-179.668.7000111.6F440 R448 F455 R466 I467 N469 P471 V474 L485F440-L453 HydrophobicContact CD2-CD1 3.84Å; F440-L453 HydrophobicContact CE2-CD1 4.08Å; R448-L453 HydrophobicContact CB-CD1 4.42Å; L453-F455 HydrophobicContact CD2-CD2 4.46Å; L453-F455 HydrophobicContact CD2-CE1 4.28Å; L453-F455 HydrophobicContact CD2-CE2 3.74Å; L453-F455 HydrophobicContact CD2-CZ 3.63Å; L453-F455 HydrophobicContact CG-CE2 4.46Å; L453-F455 HydrophobicContact CG-CZ 4.5Å; L453-R466 WeakPolarHBondContact O-CA 3.34Å; L453-I467 PolarHBondContact N-O 2.89Å; L453-I467 PolarHBondContact O-N 3.36Å; L453-N469 PolarHBondContact N-O 3.14Å; L453-N469 VanDerWaalsContact N-O 3.13Å; L453-P471 HydrophobicContact CB-CG 4.37Å; L453-P471 HydrophobicContact CD2-CG 3.83Å; L453-V474 HydrophobicContact CD2-CG2 3.99Å; L453-L485 HydrophobicContact CD2-CD1 4.4Å; L453-L485 HydrophobicContact CD2-CD2 3.79Å
454T94.8Very high92.4Very high5 Ų529 Ų293%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-114128.3171.3-48.60000110.4V447 Y456 I463 R466V447-T454 PolarHBondContact N-O 3.14Å; V447-T454 PolarHBondContact O-N 2.98Å; T454-Y456 HydrophobicContact CG2-CD2 4.09Å; T454-Y456 HydrophobicContact CG2-CE1 4.26Å; T454-Y456 HydrophobicContact CG2-CE2 3.44Å; T454-Y456 VanDerWaalsContact CG2-CE2 3.44Å; T454-I463 HydrophobicContact CG2-CG1 4.24Å; T454-I463 HydrophobicContact CG2-CG2 3.92Å; T454-R466 HydrophobicContact CG2-CG 3.69Å; T454-R466 WeakPolarHBondContact OG1-CG 3.4Å; T454-R466 PolarHBondContact OG1-NE 3.25Å
455F95.7Very high92.3Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-93.6132169.9-75.1-64.1000111.2L444 L445 L453 I464 R465 I467 V474 W476 V483 L485 F523L444-F455 HydrophobicContact CB-CB 4.23Å; L444-F455 HydrophobicContact CB-CD1 3.85Å; L444-F455 HydrophobicContact CB-CG 4.35Å; L444-F455 HydrophobicContact CD1-CB 4Å; L444-F455 HydrophobicContact CD1-CG 4.33Å; L445-F455 WeakPolarHBondContact O-CA 3.26Å; L453-F455 HydrophobicContact CD2-CD2 4.46Å; L453-F455 HydrophobicContact CD2-CE1 4.28Å; L453-F455 HydrophobicContact CD2-CE2 3.74Å; L453-F455 HydrophobicContact CD2-CZ 3.63Å; L453-F455 HydrophobicContact CG-CE2 4.46Å; L453-F455 HydrophobicContact CG-CZ 4.5Å; F455-I464 HydrophobicContact CB-CB 4.39Å; F455-I464 PolarHBondContact O-N 3.3Å; F455-R465 PolarHBondContact N-O 2.82Å; F455-R465 PolarHBondContact O-N 3.45Å; F455-I467 HydrophobicContact CD2-CD1 4.02Å; F455-I467 HydrophobicContact CE2-CD1 3.74Å; F455-V474 HydrophobicContact CE1-CG1 4.09Å; F455-V474 HydrophobicContact CZ-CG1 3.92Å; F455-W476 HydrophobicContact CD1-CZ2 4.17Å; F455-W476 AromaticContact CE1-CZ2 3.74Å; F455-W476 HydrophobicContact CE1-CZ2 3.74Å; F455-W476 AromaticContact CE1-NE1 3.91Å; F455-W476 AromaticContact CZ-CZ2 3.94Å; F455-W476 HydrophobicContact CZ-CZ2 3.94Å; F455-V483 HydrophobicContact CZ-CG2 4.45Å; F455-L485 HydrophobicContact CE2-CD2 4.45Å; F455-L485 HydrophobicContact CZ-CD2 4.1Å; F455-F523 HydrophobicContact CB-CE2 4.5Å; F455-F523 HydrophobicContact CD2-CE1 4.41Å; F455-F523 AromaticContact CD2-CE2 3.71Å; F455-F523 HydrophobicContact CD2-CE2 3.71Å; F455-F523 AromaticContact CD2-CZ 3.53Å; F455-F523 HydrophobicContact CD2-CZ 3.53Å; F455-F523 HydrophobicContact CE2-CE1 4.22Å; F455-F523 HydrophobicContact CE2-CE2 4.3Å; F455-F523 AromaticContact CE2-CZ 3.76Å; F455-F523 HydrophobicContact CE2-CZ 3.76Å; F455-F523 HydrophobicContact CG-CE2 4.36Å; F455-F523 HydrophobicContact CG-CZ 4.14Å
456Y93.8Very high92.2Very high21 Ų2133.2 Ų33.28%0.08217%0.172CC..EExtended strand (participates in β ladder)trans-117.8147.9175.8-62.3-95.8000110.8F430 L445 V447 T454 R462 I463F430-Y456 HydrophobicContact CD1-CD1 4.38Å; F430-Y456 AromaticContact CE1-CD1 3.96Å; F430-Y456 HydrophobicContact CE1-CD1 3.96Å; F430-Y456 HydrophobicContact CE1-CG 4.28Å; L445-Y456 PolarHBondContact N-O 2.86Å; L445-Y456 PolarHBondContact O-N 2.88Å; V447-Y456 HydrophobicContact CB-CD2 4.34Å; V447-Y456 HydrophobicContact CB-CE2 3.9Å; V447-Y456 HydrophobicContact CG2-CD2 3.73Å; V447-Y456 HydrophobicContact CG2-CE2 3.65Å; T454-Y456 HydrophobicContact CG2-CD2 4.09Å; T454-Y456 HydrophobicContact CG2-CE1 4.26Å; T454-Y456 HydrophobicContact CG2-CE2 3.44Å; T454-Y456 VanDerWaalsContact CG2-CE2 3.44Å; Y456-R462 WeakPolarHBondContact CA-O 3.5Å; Y456-I463 HydrophobicContact CD1-CG1 3.87Å; Y456-I463 HydrophobicContact CE1-CD1 4.22Å; Y456-I463 HydrophobicContact CE1-CG1 3.4Å
457D93Very high92Very high49 Ų4934.7 Ų34.726%0.26218%0.18SC..  trans-69.3130.3161.4175.2-96.5000109.8L459 T460 G461 R462 I464D457-L459 PolarHBondContact O-N 2.93Å; D457-L459 PolarHBondContact OD1-N 2.88Å; D457-T460 VanDerWaalsContact CB-OG1 3.28Å; D457-T460 WeakPolarHBondContact CB-OG1 3.34Å; D457-T460 VanDerWaalsContact CG-OG1 3.23Å; D457-T460 WeakPolarHBondContact OD1-CA 3.31Å; D457-T460 VanDerWaalsContact OD1-CB 3.28Å; D457-T460 WeakPolarHBondContact OD1-CB 3.33Å; D457-T460 WeakPolarHBondContact OD1-CG2 3.37Å; D457-T460 PolarHBondContact OD1-N 2.8Å; D457-T460 PolarHBondContact OD1-OG1 3.12Å; D457-G461 VanDerWaalsContact O-CA 3.23Å; D457-G461 WeakPolarHBondContact O-CA 3.34Å; D457-G461 PolarHBondContact O-N 3.49Å; D457-R462 PolarHBondContact N-O 2.87Å; D457-I464 HydrophobicContact CB-CD1 4.13Å; D457-I464 HydrophobicContact CB-CG1 4.3Å
458W93.4Very high91.8Very high7 Ų741.5 Ų41.53%0.02722%0.216CC..THydrogen-bonded Turntrans-57.4-43.2-172.5-79.594.9000114V400 W401 C402 V408 A410 V420 G442 Y443 L445V400-W458 HydrophobicContact CG2-CH2 3.97Å; W401-W458 WeakPolarHBondContact O-CZ2 3.4Å; C402-W458 HydrophobicContact CB-CD2 3.91Å; C402-W458 HydrophobicContact CB-CE3 4.17Å; C402-W458 HydrophobicContact CB-CG 4.45Å; C402-W458 HydrophobicContact CB-CH2 4.02Å; C402-W458 HydrophobicContact CB-CZ2 3.82Å; C402-W458 HydrophobicContact CB-CZ3 4.2Å; V408-W458 HydrophobicContact CG1-CD2 4.35Å; V408-W458 HydrophobicContact CG1-CE3 3.76Å; V408-W458 HydrophobicContact CG1-CZ3 4.26Å; A410-W458 HydrophobicContact CB-CE3 4.45Å; A410-W458 HydrophobicContact CB-CH2 4.11Å; A410-W458 HydrophobicContact CB-CZ3 3.55Å; V420-W458 HydrophobicContact CG1-CE3 4.25Å; V420-W458 HydrophobicContact CG2-CE3 4.35Å; G442-W458 PolarHBondContact O-NE1 3.1Å; G442-W458 VanDerWaalsContact O-NE1 3.14Å; Y443-W458 VanDerWaalsContact O-CD1 3.3Å; Y443-W458 PolarHBondContact O-NE1 3.02Å; L445-W458 HydrophobicContact CB-CD2 3.92Å; L445-W458 HydrophobicContact CB-CE3 4.25Å; L445-W458 HydrophobicContact CB-CG 4.34Å; L445-W458 HydrophobicContact CB-CZ2 4.26Å; L445-W458 HydrophobicContact CD1-CH2 3.97Å; L445-W458 HydrophobicContact CD1-CZ2 4.23Å; L445-W458 HydrophobicContact CD1-CZ3 4.13Å
459L90.4Very high91.4Very high71 Ų7141.6 Ų41.637%0.37222%0.219SC..THydrogen-bonded Turntrans-99.7-36.4-168.5-65.5178.4000112.9V408 K422 R428 D457V408-L459 HydrophobicContact CG2-CD2 4.35Å; K422-L459 HydrophobicContact CD-CD2 4.25Å; R428-L459 PolarHBondContact NE-O 2.97Å; R428-L459 PolarHBondContact NH2-O 2.9Å; D457-L459 PolarHBondContact O-N 2.93Å; D457-L459 PolarHBondContact OD1-N 2.88Å
460T88.3Confident91.3Very high56 Ų5644.6 Ų44.634%0.34424%0.235SC..THydrogen-bonded Turntrans-83.6-27.5177.466.30000111.8R428 D457 R462R428-T460 VanDerWaalsContact CZ-C 3.48Å; R428-T460 PolarHBondContact NH1-O 2.72Å; R428-T460 PolarHBondContact NH2-O 2.79Å; D457-T460 VanDerWaalsContact CB-OG1 3.28Å; D457-T460 WeakPolarHBondContact CB-OG1 3.34Å; D457-T460 VanDerWaalsContact CG-OG1 3.23Å; D457-T460 WeakPolarHBondContact OD1-CA 3.31Å; D457-T460 VanDerWaalsContact OD1-CB 3.28Å; D457-T460 WeakPolarHBondContact OD1-CB 3.33Å; D457-T460 WeakPolarHBondContact OD1-CG2 3.37Å; D457-T460 PolarHBondContact OD1-N 2.8Å; D457-T460 PolarHBondContact OD1-OG1 3.12Å; T460-R462 PolarHBondContact O-N 3.03Å; T460-R462 PolarHBondContact OG1-N 2.89Å
461G86.7Confident91.7Very high16 Ų1638 Ų3817%0.16520%0.2CC..  trans71.114-175.800000114.5F430 D457F430-G461 VanDerWaalsContact CZ-CA 3.42Å; D457-G461 VanDerWaalsContact O-CA 3.23Å; D457-G461 WeakPolarHBondContact O-CA 3.34Å; D457-G461 PolarHBondContact O-N 3.49Å
462R88.4Confident92Very high44 Ų4436.6 Ų36.617%0.16619%0.187CC..  trans-71140.6176.9-155.2-179-163.6172.812.4110Y456 D457 T460 I464 S507 E514 Y519Y456-R462 WeakPolarHBondContact CA-O 3.5Å; D457-R462 PolarHBondContact N-O 2.87Å; T460-R462 PolarHBondContact O-N 3.03Å; T460-R462 PolarHBondContact OG1-N 2.89Å; R462-I464 PolarHBondContact O-N 3.31Å; R462-S507 PolarHBondContact NH1-OG 2.92Å; R462-S507 VanDerWaalsContact NH1-OG 3.14Å; R462-S507 PolarHBondContact NH2-OG 3.46Å; R462-E514 IonicContact CZ-OE1 3.85Å; R462-E514 IonicContact NE-OE1 3.32Å; R462-E514 PolarHBondContact NE-OE1 3.17Å; R462-E514 IonicContact NH2-OE1 2.74Å; R462-E514 PolarHBondContact NH2-OE1 2.71Å; R462-Y519 PolarHBondContact NE-OH 2.97Å; R462-Y519 PolarHBondContact NH1-OH 3.13Å; R462-Y519 PolarHBondContact NH2-OH 2.95Å
463I91.1Very high92.1Very high52 Ų5236.6 Ų36.627%0.26719%0.187SC..EExtended strand (participates in β ladder)trans-68.5122.9171-65.5171.3000108T454 Y456T454-I463 HydrophobicContact CG2-CG1 4.24Å; T454-I463 HydrophobicContact CG2-CG2 3.92Å; Y456-I463 HydrophobicContact CD1-CG1 3.87Å; Y456-I463 HydrophobicContact CE1-CD1 4.22Å; Y456-I463 HydrophobicContact CE1-CG1 3.4Å
464I93.5Very high92.2Very high5 Ų537.1 Ų37.13%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-88.1-51174.3-60.4-56.7000109.9L444 F455 D457 R462 Y496 V501 G518 Y519 A522 F523L444-I464 HydrophobicContact CD1-CB 4.08Å; L444-I464 HydrophobicContact CD1-CG1 4.12Å; L444-I464 HydrophobicContact CD1-CG2 3.81Å; L444-I464 HydrophobicContact CD2-CG1 3.96Å; F455-I464 HydrophobicContact CB-CB 4.39Å; F455-I464 PolarHBondContact O-N 3.3Å; D457-I464 HydrophobicContact CB-CD1 4.13Å; D457-I464 HydrophobicContact CB-CG1 4.3Å; R462-I464 PolarHBondContact O-N 3.31Å; I464-Y496 HydrophobicContact CG2-CE2 3.87Å; I464-V501 HydrophobicContact CD1-CG1 3.79Å; I464-V501 HydrophobicContact CD1-CG2 4.48Å; I464-V501 HydrophobicContact CG2-CG2 4.03Å; I464-G518 CarbonylContact O-C 3.6Å; I464-Y519 PolarHBondContact O-N 2.95Å; I464-A522 HydrophobicContact CG2-CB 3.99Å; I464-F523 HydrophobicContact CG2-CE2 4.3Å
465R94.1Very high92.3Very high50 Ų5039.8 Ų39.819%0.18920%0.2CC..EExtended strand (participates in β ladder)trans-160.7141.4177.6-172.661.3-173.5171.3-6.5111.7F455 I467 D517 Y519 E520 F523F455-R465 PolarHBondContact N-O 2.82Å; F455-R465 PolarHBondContact O-N 3.45Å; R465-I467 HydrophobicContact CG-CG1 4.09Å; R465-D517 CarbonylContact C-O 3.59Å; R465-D517 WeakPolarHBondContact CA-O 3.46Å; R465-D517 WeakPolarHBondContact CD-O 3.12Å; R465-Y519 WeakPolarHBondContact CD-O 3.47Å; R465-E520 VanDerWaalsContact CZ-CA 3.49Å; R465-E520 IonicContact NH2-OE1 3.93Å; R465-F523 HydrophobicContact CB-CD2 3.65Å; R465-F523 HydrophobicContact CB-CE2 3.81Å; R465-F523 HydrophobicContact CG-CD2 3.89Å; R465-F523 HydrophobicContact CG-CE2 4.49Å
466R93.6Very high92.3Very high43 Ų4340.5 Ų40.516%0.16220%0.203CC..EExtended strand (participates in β ladder)trans-94.9137.2160.1-81.2-175.8164.2176.7-3.9110.7L453 T454 D517L453-R466 WeakPolarHBondContact O-CA 3.34Å; T454-R466 HydrophobicContact CG2-CG 3.69Å; T454-R466 WeakPolarHBondContact OG1-CG 3.4Å; T454-R466 PolarHBondContact OG1-NE 3.25Å; R466-D517 HydrophobicContact CB-CB 4.1Å; R466-D517 PolarHBondContact N-O 2.8Å
467I93.5Very high92.3Very high31 Ų3139.5 Ų39.516%0.15920%0.199CC..EExtended strand (participates in β ladder)trans-125.3119.9178.1-56.2-179.1000106.7L453 F455 R465 N469 L485 L494L453-I467 PolarHBondContact N-O 2.89Å; L453-I467 PolarHBondContact O-N 3.36Å; F455-I467 HydrophobicContact CD2-CD1 4.02Å; F455-I467 HydrophobicContact CE2-CD1 3.74Å; R465-I467 HydrophobicContact CG-CG1 4.09Å; I467-N469 HydrophobicContact CG2-CB 3.95Å; I467-N469 PolarHBondContact O-N 3.38Å; I467-L485 HydrophobicContact CD1-CD1 3.96Å; I467-L485 HydrophobicContact CG2-CD1 4.21Å; I467-L494 HydrophobicContact CD1-CD1 3.63Å
468D90.4Very high92.2Very high151 Ų15142.7 Ų42.781%0.80721%0.212SC*.SBendtrans-74.460.7177.3-73.9-12.6000110.9
469N88.4Confident92.1Very high39 Ų3945.3 Ų45.321%0.20923%0.231CC..  trans-145.3150176.3-159.4-21.8000108.6G452 L453 I467 P471 T487 F492G452-N469 CarbonylContact C-O 3.53Å; G452-N469 WeakPolarHBondContact CA-O 3.35Å; L453-N469 PolarHBondContact N-O 3.14Å; L453-N469 VanDerWaalsContact N-O 3.13Å; I467-N469 HydrophobicContact CG2-CB 3.95Å; I467-N469 PolarHBondContact O-N 3.38Å; N469-P471 WeakPolarHBondContact O-CD 3.41Å; N469-T487 WeakPolarHBondContact OD1-CG2 3.17Å; N469-F492 WeakPolarHBondContact ND2-CD2 3.35Å; N469-F492 WeakPolarHBondContact ND2-CE2 3.39Å
470N90.5Very high92.3Very high69 Ų6942 Ų4237%0.36922%0.215SC..  trans-11870.3-175.5-121.9-3.8000111R448 S449R448-N470 WeakPolarHBondContact CD-OD1 3.44Å; R448-N470 WeakPolarHBondContact CG-OD1 3.01Å; S449-N470 PolarHBondContact O-OD1 3.45Å; S449-N470 VanDerWaalsContact O-OD1 3.14Å
471P94.5Very high92.5Very high0 Ų044.1 Ų44.10%022%0.221CC..  trans-69.1145-177.327.1-32000111.7R448 L453 N469 V474 L485 C486R448-P471 WeakPolarHBondContact CD-O 3.37Å; R448-P471 PolarHBondContact NH1-O 2.99Å; L453-P471 HydrophobicContact CB-CG 4.37Å; L453-P471 HydrophobicContact CD2-CG 3.83Å; N469-P471 WeakPolarHBondContact O-CD 3.41Å; P471-V474 HydrophobicContact CB-CG2 4.22Å; P471-V474 HydrophobicContact CG-CG2 3.82Å; P471-L485 HydrophobicContact CB-CB 4.17Å; P471-L485 HydrophobicContact CG-CB 4.43Å; P471-L485 HydrophobicContact CG-CD2 4.49Å; P471-C486 CarbonylContact C-O 3.6Å; P471-C486 WeakPolarHBondContact CA-O 3.27Å; P471-C486 VanDerWaalsContact CB-O 3.28Å; P471-C486 WeakPolarHBondContact CB-O 3.43Å
472K91.8Very high93Very high53 Ų5343.8 Ų43.823%0.2322%0.215CC..SBendtrans-82-25.8168.670.1-173.8-174.4-159.40112.7C486 T487 N488 V535K472-C486 WeakPolarHBondContact CG-O 3.33Å; K472-C486 PolarHBondContact N-O 3.07Å; K472-T487 WeakPolarHBondContact CD-O 3.5Å; K472-T487 WeakPolarHBondContact CE-O 3.4Å; K472-T487 PolarHBondContact NZ-O 3.22Å; K472-N488 PolarHBondContact NZ-O 3.27Å; K472-V535 WeakPolarHBondContact CE-O 3.17Å; K472-V535 PolarHBondContact NZ-O 2.75Å
473G93.6Very high93.4Very high5 Ų541.7 Ų41.75%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-139.6142.4177.600000111.7C486G473-C486 PolarHBondContact N-O 3.01Å; G473-C486 PolarHBondContact O-N 3.05Å
474V96.9Very high93.7Very high12 Ų1239.2 Ų39.27%0.07320%0.195CC..EExtended strand (participates in β ladder)trans-130.2116.6176.3177.60000107.8F440 L453 F455 P471 V483 A484 L485F440-V474 HydrophobicContact CB-CB 3.86Å; F440-V474 HydrophobicContact CB-CG1 4.41Å; F440-V474 HydrophobicContact CB-CG2 4.22Å; F440-V474 HydrophobicContact CD1-CB 3.9Å; F440-V474 HydrophobicContact CD1-CG2 3.96Å; F440-V474 HydrophobicContact CD2-CB 4.13Å; F440-V474 HydrophobicContact CD2-CG2 3.53Å; F440-V474 HydrophobicContact CE1-CB 4.48Å; F440-V474 HydrophobicContact CE1-CG2 4.18Å; F440-V474 HydrophobicContact CE2-CG2 3.74Å; F440-V474 HydrophobicContact CG-CB 3.71Å; F440-V474 HydrophobicContact CG-CG2 3.64Å; F440-V474 HydrophobicContact CZ-CG2 4.08Å; L453-V474 HydrophobicContact CD2-CG2 3.99Å; F455-V474 HydrophobicContact CE1-CG1 4.09Å; F455-V474 HydrophobicContact CZ-CG1 3.92Å; P471-V474 HydrophobicContact CB-CG2 4.22Å; P471-V474 HydrophobicContact CG-CG2 3.82Å; V474-V483 HydrophobicContact CG1-CG2 3.65Å; V474-A484 WeakPolarHBondContact CA-O 3.07Å; V474-L485 HydrophobicContact CB-CD2 4.34Å; V474-L485 HydrophobicContact CG1-CD2 3.86Å; V474-L485 HydrophobicContact CG2-CD2 3.83Å
475Y96.3Very high93.8Very high62 Ų6239 Ų3924%0.24319%0.194CC..EExtended strand (participates in β ladder)trans-123.5122.8-174.5-53.9-78.7000110V483 A484 C486 G538 W540 F545Y475-V483 CarbonylContact O-C 3.58Å; Y475-V483 VanDerWaalsContact O-CA 3.31Å; Y475-V483 WeakPolarHBondContact O-CA 3.2Å; Y475-V483 WeakPolarHBondContact O-CG2 3.25Å; Y475-A484 PolarHBondContact N-O 3.09Å; Y475-A484 PolarHBondContact O-N 3.07Å; Y475-C486 HydrophobicContact CE2-CB 4.41Å; Y475-G538 WeakPolarHBondContact CD1-O 3.33Å; Y475-G538 VanDerWaalsContact CE1-O 3.23Å; Y475-G538 WeakPolarHBondContact CE1-O 3.33Å; Y475-W540 PolarHBondContact O-NE1 2.85Å; Y475-F545 AromaticContact CD2-CE2 3.83Å; Y475-F545 HydrophobicContact CD2-CE2 3.83Å; Y475-F545 AromaticContact CD2-CZ 3.75Å; Y475-F545 HydrophobicContact CD2-CZ 3.75Å; Y475-F545 HydrophobicContact CE2-CZ 4.32Å; Y475-F545 AromaticContact CG-CE2 3.97Å; Y475-F545 HydrophobicContact CG-CE2 3.97Å; Y475-F545 HydrophobicContact CG-CZ 4.35Å
476W96.6Very high94Very high14 Ų1436.7 Ų36.75%0.05319%0.185CC..EExtended strand (participates in β ladder)trans-98143.7177.7-73.585.6000111.1Y443 L444 F455 G480 V483 Y496 F523 W540Y443-W476 HydrophobicContact CD2-CB 4.37Å; L444-W476 HydrophobicContact CB-CZ2 4.06Å; L444-W476 HydrophobicContact CD1-CH2 4.05Å; L444-W476 HydrophobicContact CD1-CZ2 4.22Å; L444-W476 HydrophobicContact CG-CH2 4.26Å; L444-W476 HydrophobicContact CG-CZ2 4.25Å; F455-W476 HydrophobicContact CD1-CZ2 4.17Å; F455-W476 AromaticContact CE1-CZ2 3.74Å; F455-W476 HydrophobicContact CE1-CZ2 3.74Å; F455-W476 AromaticContact CE1-NE1 3.91Å; F455-W476 AromaticContact CZ-CZ2 3.94Å; F455-W476 HydrophobicContact CZ-CZ2 3.94Å; W476-G480 WeakPolarHBondContact CZ3-O 3.46Å; W476-V483 HydrophobicContact CD2-CB 3.8Å; W476-V483 HydrophobicContact CD2-CG2 3.81Å; W476-V483 HydrophobicContact CE3-CB 3.86Å; W476-V483 HydrophobicContact CE3-CG2 4.38Å; W476-V483 HydrophobicContact CG-CB 4.36Å; W476-V483 HydrophobicContact CG-CG2 4.03Å; W476-V483 HydrophobicContact CH2-CB 4.27Å; W476-V483 HydrophobicContact CH2-CG1 4.35Å; W476-V483 HydrophobicContact CZ2-CB 4.19Å; W476-V483 HydrophobicContact CZ2-CG1 4.43Å; W476-V483 HydrophobicContact CZ2-CG2 4.14Å; W476-V483 HydrophobicContact CZ3-CB 4.1Å; W476-V483 HydrophobicContact CZ3-CG1 4.47Å; W476-Y496 HydrophobicContact CH2-CD1 4.25Å; W476-Y496 AromaticContact CH2-CG 3.99Å; W476-Y496 HydrophobicContact CH2-CG 3.99Å; W476-Y496 HydrophobicContact CZ3-CD1 4.08Å; W476-Y496 HydrophobicContact CZ3-CG 4.01Å; W476-F523 AromaticContact CH2-CE1 3.73Å; W476-F523 HydrophobicContact CH2-CE1 3.73Å; W476-F523 AromaticContact CH2-CZ 3.75Å; W476-F523 HydrophobicContact CH2-CZ 3.75Å; W476-F523 HydrophobicContact CZ2-CE1 4.32Å; W476-F523 HydrophobicContact CZ2-CZ 4.17Å; W476-W540 VanDerWaalsContact O-CD1 3.27Å
477N94.3Very high94Very high0 Ų035.5 Ų35.50%018%0.182CC..  trans-74.5165.2171.483.3-23.3000111.9Q403 S479 G480 Q481 L482 W540 D543Q403-N477 PolarHBondContact NE2-O 2.95Å; N477-S479 PolarHBondContact ND2-OG 3.37Å; N477-S479 PolarHBondContact O-N 2.98Å; N477-S479 PolarHBondContact OD1-OG 2.93Å; N477-G480 PolarHBondContact O-N 3.27Å; N477-G480 VanDerWaalsContact O-N 3.1Å; N477-G480 WeakPolarHBondContact OD1-CA 3.45Å; N477-G480 PolarHBondContact OD1-N 2.63Å; N477-Q481 PolarHBondContact OD1-N 3.03Å; N477-L482 HydrophobicContact CB-CB 4.15Å; N477-L482 PolarHBondContact N-O 3.16Å; N477-L482 PolarHBondContact OD1-N 3.27Å; N477-L482 PolarHBondContact OD1-O 3.48Å; N477-W540 VanDerWaalsContact CA-CG 3.48Å; N477-W540 HydrophobicContact CB-CB 3.75Å; N477-W540 HydrophobicContact CB-CD2 3.56Å; N477-W540 HydrophobicContact CB-CE3 3.74Å; N477-W540 HydrophobicContact CB-CG 3.57Å; N477-W540 HydrophobicContact CB-CZ3 4.49Å; N477-D543 PolarHBondContact ND2-OD1 3.3Å
478E90.3Very high93.8Very high117 Ų11739 Ų3955%0.54720%0.202SC..THydrogen-bonded Turntrans-63.8-24.5-176.1-72.9-173.1152.700113.9Y443Y443-E478 PolarHBondContact OH-O 3.14Å
479S91.7Very high93.9Very high61 Ų6136.3 Ų36.343%0.42719%0.187SC..THydrogen-bonded Turntrans-87.1-13176.965.90000113.5N477 Q481N477-S479 PolarHBondContact ND2-OG 3.37Å; N477-S479 PolarHBondContact O-N 2.98Å; N477-S479 PolarHBondContact OD1-OG 2.93Å; S479-Q481 PolarHBondContact O-N 3.27Å
480G93.3Very high94.2Very high3 Ų335.9 Ų35.93%0.03119%0.186CC..SBendtrans73.310.8-174.300000114.5Y443 W476 N477 Y496Y443-G480 VanDerWaalsContact CE2-N 3.34Å; Y443-G480 VanDerWaalsContact CG-CA 3.45Å; W476-G480 WeakPolarHBondContact CZ3-O 3.46Å; N477-G480 PolarHBondContact O-N 3.27Å; N477-G480 VanDerWaalsContact O-N 3.1Å; N477-G480 WeakPolarHBondContact OD1-CA 3.45Å; N477-G480 PolarHBondContact OD1-N 2.63Å; G480-Y496 WeakPolarHBondContact O-CD1 3.38Å
481Q93.9Very high94.4Very high99 Ų9932.6 Ų32.646%0.46317%0.169SC..SBendtrans-91.5-22.3179.9-66.5-170.4-5.100113.3N477 S479 R495 Y496N477-Q481 PolarHBondContact OD1-N 3.03Å; S479-Q481 PolarHBondContact O-N 3.27Å; Q481-R495 CarbonylContact O-C 3.52Å; Q481-R495 WeakPolarHBondContact O-CA 3.4Å; Q481-Y496 PolarHBondContact O-N 3.5Å
482L95.6Very high94.5Very high10 Ų1034.3 Ų34.35%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-122.6143179.4-63.2171.7000110.2N477 I493 L494 R495 V526 W540 D543N477-L482 HydrophobicContact CB-CB 4.15Å; N477-L482 PolarHBondContact N-O 3.16Å; N477-L482 PolarHBondContact OD1-N 3.27Å; N477-L482 PolarHBondContact OD1-O 3.48Å; L482-I493 HydrophobicContact CD2-CG2 4.41Å; L482-L494 CarbonylContact C-O 3.57Å; L482-L494 WeakPolarHBondContact CA-O 3.48Å; L482-R495 HydrophobicContact CD2-CB 4.16Å; L482-V526 HydrophobicContact CD2-CG2 3.88Å; L482-W540 HydrophobicContact CB-CH2 3.63Å; L482-W540 HydrophobicContact CB-CZ2 3.95Å; L482-W540 HydrophobicContact CB-CZ3 3.97Å; L482-W540 HydrophobicContact CD1-CH2 3.94Å; L482-W540 HydrophobicContact CD1-CZ3 3.7Å; L482-W540 HydrophobicContact CG-CH2 4.36Å; L482-W540 HydrophobicContact CG-CZ3 4.48Å; L482-D543 HydrophobicContact CD1-CB 4Å
483V97.1Very high94.7Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-136.5134.9174.164.20000110.1F455 V474 Y475 W476 L485 I493 L494 F523F455-V483 HydrophobicContact CZ-CG2 4.45Å; V474-V483 HydrophobicContact CG1-CG2 3.65Å; Y475-V483 CarbonylContact O-C 3.58Å; Y475-V483 VanDerWaalsContact O-CA 3.31Å; Y475-V483 WeakPolarHBondContact O-CA 3.2Å; Y475-V483 WeakPolarHBondContact O-CG2 3.25Å; W476-V483 HydrophobicContact CD2-CB 3.8Å; W476-V483 HydrophobicContact CD2-CG2 3.81Å; W476-V483 HydrophobicContact CE3-CB 3.86Å; W476-V483 HydrophobicContact CE3-CG2 4.38Å; W476-V483 HydrophobicContact CG-CB 4.36Å; W476-V483 HydrophobicContact CG-CG2 4.03Å; W476-V483 HydrophobicContact CH2-CB 4.27Å; W476-V483 HydrophobicContact CH2-CG1 4.35Å; W476-V483 HydrophobicContact CZ2-CB 4.19Å; W476-V483 HydrophobicContact CZ2-CG1 4.43Å; W476-V483 HydrophobicContact CZ2-CG2 4.14Å; W476-V483 HydrophobicContact CZ3-CB 4.1Å; W476-V483 HydrophobicContact CZ3-CG1 4.47Å; V483-L485 HydrophobicContact CG2-CD2 4.08Å; V483-I493 WeakPolarHBondContact O-CA 3.32Å; V483-L494 HydrophobicContact CG1-CB 3.78Å; V483-L494 HydrophobicContact CG1-CD1 4.45Å; V483-L494 HydrophobicContact CG1-CG 4.49Å; V483-L494 PolarHBondContact N-O 2.74Å; V483-L494 PolarHBondContact O-N 3.32Å; V483-F523 HydrophobicContact CG1-CD1 4.29Å; V483-F523 HydrophobicContact CG1-CE1 3.82Å
484A97.4Very high94.8Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-98123.3171.100000109.2V474 Y475 F492 I493 W540 F545V474-A484 WeakPolarHBondContact CA-O 3.07Å; Y475-A484 PolarHBondContact N-O 3.09Å; Y475-A484 PolarHBondContact O-N 3.07Å; A484-F492 CarbonylContact C-O 3.48Å; A484-F492 WeakPolarHBondContact CA-O 3.43Å; A484-I493 HydrophobicContact CB-CD1 3.6Å; A484-W540 HydrophobicContact CB-CZ2 3.92Å; A484-F545 HydrophobicContact CB-CD1 4.12Å; A484-F545 HydrophobicContact CB-CD2 3.91Å; A484-F545 HydrophobicContact CB-CE1 3.94Å; A484-F545 HydrophobicContact CB-CE2 3.73Å; A484-F545 HydrophobicContact CB-CG 4.1Å; A484-F545 HydrophobicContact CB-CZ 3.74Å
485L97.1Very high94.8Very high1 Ų135.5 Ų35.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-103.7103.4171.4-54.2-175000108.4L453 F455 I467 P471 V474 V483 F491 F492 L494L453-L485 HydrophobicContact CD2-CD1 4.4Å; L453-L485 HydrophobicContact CD2-CD2 3.79Å; F455-L485 HydrophobicContact CE2-CD2 4.45Å; F455-L485 HydrophobicContact CZ-CD2 4.1Å; I467-L485 HydrophobicContact CD1-CD1 3.96Å; I467-L485 HydrophobicContact CG2-CD1 4.21Å; P471-L485 HydrophobicContact CB-CB 4.17Å; P471-L485 HydrophobicContact CG-CB 4.43Å; P471-L485 HydrophobicContact CG-CD2 4.49Å; V474-L485 HydrophobicContact CB-CD2 4.34Å; V474-L485 HydrophobicContact CG1-CD2 3.86Å; V474-L485 HydrophobicContact CG2-CD2 3.83Å; V483-L485 HydrophobicContact CG2-CD2 4.08Å; L485-F491 CarbonylContact O-C 3.58Å; L485-F491 WeakPolarHBondContact O-CA 3.48Å; L485-F492 HydrophobicContact CB-CB 4.34Å; L485-F492 PolarHBondContact N-O 2.9Å; L485-F492 PolarHBondContact O-N 3.46Å; L485-L494 HydrophobicContact CD1-CD1 3.49Å; L485-L494 VanDerWaalsContact CD1-CD1 3.49Å; L485-L494 HydrophobicContact CD1-CG 4.36Å; L485-L494 HydrophobicContact CG-CD1 4.1Å
486C96.5Very high94.8Very high1 Ų134 Ų341%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-94.6121.6-178.2-58.10000109.7P471 K472 G473 Y475 F491 V535P471-C486 CarbonylContact C-O 3.6Å; P471-C486 WeakPolarHBondContact CA-O 3.27Å; P471-C486 VanDerWaalsContact CB-O 3.28Å; P471-C486 WeakPolarHBondContact CB-O 3.43Å; K472-C486 WeakPolarHBondContact CG-O 3.33Å; K472-C486 PolarHBondContact N-O 3.07Å; G473-C486 PolarHBondContact N-O 3.01Å; G473-C486 PolarHBondContact O-N 3.05Å; Y475-C486 HydrophobicContact CE2-CB 4.41Å; C486-F491 HydrophobicContact CB-CB 4.27Å; C486-V535 HydrophobicContact CB-CB 4.07Å; C486-V535 HydrophobicContact CB-CG1 4.3Å; C486-V535 HydrophobicContact CB-CG2 4.46Å
487T94.2Very high94.7Very high17 Ų1736.5 Ų36.510%0.10419%0.186CC..  trans-96.9-165.3170.776.80000109.9N469 K472 D489 T490 F492N469-T487 WeakPolarHBondContact OD1-CG2 3.17Å; K472-T487 WeakPolarHBondContact CD-O 3.5Å; K472-T487 WeakPolarHBondContact CE-O 3.4Å; K472-T487 PolarHBondContact NZ-O 3.22Å; T487-D489 PolarHBondContact OG1-N 3.23Å; T487-T490 WeakPolarHBondContact CA-O 3.45Å; T487-T490 WeakPolarHBondContact CB-O 3.36Å; T487-T490 PolarHBondContact N-O 3.31Å; T487-T490 PolarHBondContact OG1-N 3.09Å; T487-T490 VanDerWaalsContact OG1-N 3.12Å; T487-T490 PolarHBondContact OG1-O 2.76Å; T487-T490 PolarHBondContact OG1-OG1 2.89Å; T487-F492 HydrophobicContact CG2-CD2 4.41Å; T487-F492 HydrophobicContact CG2-CE2 4.02Å
488N89.1Confident94.6Very high106 Ų10639 Ų3957%0.56721%0.206SC*.SBendtrans-64.5-47.2176.3-70.5-21.7000111.4K472 Q534K472-N488 PolarHBondContact NZ-O 3.27Å; N488-Q534 WeakPolarHBondContact O-CG 3.44Å
489D92.1Very high94.5Very high94 Ų9441.5 Ų41.550%0.50322%0.223SC..SBendtrans-116.1-22.5-168.7-55.9-54.6000114.6T487 S532 S533 Q534T487-D489 PolarHBondContact OG1-N 3.23Å; D489-S532 CarbonylContact O-C 3.59Å; D489-S533 CarbonylContact O-C 3.59Å; D489-S533 VanDerWaalsContact O-C 3.23Å; D489-S533 PolarHBondContact O-N 3.35Å; D489-Q534 PolarHBondContact OD1-NE2 3.34Å
490T94.9Very high94.3Very high30 Ų3040.6 Ų40.618%0.18422%0.219CC..  trans-128.9152.7-178.4540000111.1T487 F492 V531T487-T490 WeakPolarHBondContact CA-O 3.45Å; T487-T490 WeakPolarHBondContact CB-O 3.36Å; T487-T490 PolarHBondContact N-O 3.31Å; T487-T490 PolarHBondContact OG1-N 3.09Å; T487-T490 VanDerWaalsContact OG1-N 3.12Å; T487-T490 PolarHBondContact OG1-O 2.76Å; T487-T490 PolarHBondContact OG1-OG1 2.89Å; T490-F492 WeakPolarHBondContact OG1-CE2 3.44Å; T490-V531 CarbonylContact C-O 3.47Å; T490-V531 VanDerWaalsContact CA-O 3.24Å; T490-V531 WeakPolarHBondContact CA-O 3.27Å
491F96.1Very high93.9Very high0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans-124152.3163.772.9-94.5000111.6L485 C486 I493 V531 V535 F545 F547 F557 V562L485-F491 CarbonylContact O-C 3.58Å; L485-F491 WeakPolarHBondContact O-CA 3.48Å; C486-F491 HydrophobicContact CB-CB 4.27Å; F491-I493 HydrophobicContact CD2-CD1 3.81Å; F491-I493 HydrophobicContact CD2-CG1 3.97Å; F491-I493 HydrophobicContact CE2-CD1 3.75Å; F491-I493 HydrophobicContact CE2-CG1 3.75Å; F491-V531 HydrophobicContact CD1-CB 3.95Å; F491-V531 HydrophobicContact CD1-CG1 4.16Å; F491-V531 HydrophobicContact CD2-CB 4.33Å; F491-V531 HydrophobicContact CE1-CB 3.5Å; F491-V531 VanDerWaalsContact CE1-CB 3.5Å; F491-V531 HydrophobicContact CE1-CG1 3.39Å; F491-V531 HydrophobicContact CE1-CG2 4.23Å; F491-V531 HydrophobicContact CE2-CB 3.88Å; F491-V531 HydrophobicContact CE2-CG2 3.85Å; F491-V531 HydrophobicContact CG-CB 4.37Å; F491-V531 HydrophobicContact CZ-CB 3.45Å; F491-V531 VanDerWaalsContact CZ-CB 3.45Å; F491-V531 HydrophobicContact CZ-CG1 3.6Å; F491-V531 HydrophobicContact CZ-CG2 3.64Å; F491-V531 PolarHBondContact N-O 2.79Å; F491-V531 PolarHBondContact O-N 2.86Å; F491-V535 HydrophobicContact CB-CG2 4.14Å; F491-V535 HydrophobicContact CD1-CG2 3.5Å; F491-V535 HydrophobicContact CE1-CG2 4.16Å; F491-V535 HydrophobicContact CG-CG2 4.06Å; F491-F545 HydrophobicContact CE2-CD1 4.28Å; F491-F547 HydrophobicContact CE1-CE1 4.07Å; F491-F547 HydrophobicContact CE1-CE2 4.3Å; F491-F547 AromaticContact CE1-CZ 3.79Å; F491-F547 HydrophobicContact CE1-CZ 3.79Å; F491-F547 HydrophobicContact CZ-CE1 4.04Å; F491-F547 HydrophobicContact CZ-CZ 4.16Å; F491-F557 HydrophobicContact CE2-CB 4.28Å; F491-F557 HydrophobicContact CE2-CD2 4.13Å; F491-F557 HydrophobicContact CE2-CG 4.12Å; F491-F557 HydrophobicContact CZ-CB 4.03Å; F491-F557 HydrophobicContact CZ-CD2 4.04Å; F491-F557 HydrophobicContact CZ-CG 4.17Å; F491-V562 HydrophobicContact CZ-CG2 4.32Å
492F96.4Very high93.2Very high35 Ų3539.6 Ų39.615%0.15422%0.221CC..EExtended strand (participates in β ladder)trans-120.8130.8-178.1-57.9-94.1000109.8N469 A484 L485 T487 T490 L525 G529 E530N469-F492 WeakPolarHBondContact ND2-CD2 3.35Å; N469-F492 WeakPolarHBondContact ND2-CE2 3.39Å; A484-F492 CarbonylContact C-O 3.48Å; A484-F492 WeakPolarHBondContact CA-O 3.43Å; L485-F492 HydrophobicContact CB-CB 4.34Å; L485-F492 PolarHBondContact N-O 2.9Å; L485-F492 PolarHBondContact O-N 3.46Å; T487-F492 HydrophobicContact CG2-CD2 4.41Å; T487-F492 HydrophobicContact CG2-CE2 4.02Å; T490-F492 WeakPolarHBondContact OG1-CE2 3.44Å; F492-L525 HydrophobicContact CB-CD1 4.41Å; F492-L525 HydrophobicContact CD1-CD1 4.35Å; F492-G529 CarbonylContact C-O 3.58Å; F492-G529 VanDerWaalsContact CA-O 3.23Å; F492-G529 WeakPolarHBondContact CA-O 3.48Å; F492-E530 HydrophobicContact CD1-CB 4.09Å; F492-E530 HydrophobicContact CD1-CG 4.04Å; F492-E530 HydrophobicContact CE1-CB 4.12Å; F492-E530 HydrophobicContact CE1-CG 3.6Å; F492-E530 HydrophobicContact CZ-CG 4.31Å
493I96Very high91.9Very high1 Ų145.1 Ų45.11%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-102.4112.6174.3-55.5-66.5000108.8L482 V483 A484 F491 V526 G529 W540 F545 F557L482-I493 HydrophobicContact CD2-CG2 4.41Å; V483-I493 WeakPolarHBondContact O-CA 3.32Å; A484-I493 HydrophobicContact CB-CD1 3.6Å; F491-I493 HydrophobicContact CD2-CD1 3.81Å; F491-I493 HydrophobicContact CD2-CG1 3.97Å; F491-I493 HydrophobicContact CE2-CD1 3.75Å; F491-I493 HydrophobicContact CE2-CG1 3.75Å; I493-V526 HydrophobicContact CB-CB 4.44Å; I493-V526 HydrophobicContact CG2-CB 4.15Å; I493-V526 HydrophobicContact CG2-CG2 3.9Å; I493-V526 WeakPolarHBondContact O-CB 3.45Å; I493-V526 WeakPolarHBondContact O-CG2 3.3Å; I493-V526 PolarHBondContact O-N 3.3Å; I493-G529 PolarHBondContact N-O 3.17Å; I493-W540 HydrophobicContact CD1-CH2 3.88Å; I493-W540 HydrophobicContact CD1-CZ2 3.77Å; I493-W540 HydrophobicContact CG2-CH2 3.83Å; I493-W540 HydrophobicContact CG2-CZ2 4.32Å; I493-F545 HydrophobicContact CD1-CB 4.35Å; I493-F545 HydrophobicContact CD1-CD1 4.3Å; I493-F545 HydrophobicContact CD1-CG 4.4Å; I493-F557 HydrophobicContact CB-CE1 4.16Å; I493-F557 HydrophobicContact CB-CZ 4.46Å; I493-F557 HydrophobicContact CD1-CD1 4.22Å; I493-F557 HydrophobicContact CD1-CE1 4.4Å; I493-F557 HydrophobicContact CG1-CD1 3.85Å; I493-F557 HydrophobicContact CG1-CE1 3.59Å; I493-F557 HydrophobicContact CG1-CG 4.48Å; I493-F557 HydrophobicContact CG1-CZ 3.97Å; I493-F557 HydrophobicContact CG2-CE1 4.19Å
494L96Very high90Very high18 Ų1848.1 Ų48.19%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-109.2144.3178.5-51.8176.5000110.3I467 L482 V483 L485 F523 Q524 L525I467-L494 HydrophobicContact CD1-CD1 3.63Å; L482-L494 CarbonylContact C-O 3.57Å; L482-L494 WeakPolarHBondContact CA-O 3.48Å; V483-L494 HydrophobicContact CG1-CB 3.78Å; V483-L494 HydrophobicContact CG1-CD1 4.45Å; V483-L494 HydrophobicContact CG1-CG 4.49Å; V483-L494 PolarHBondContact N-O 2.74Å; V483-L494 PolarHBondContact O-N 3.32Å; L485-L494 HydrophobicContact CD1-CD1 3.49Å; L485-L494 VanDerWaalsContact CD1-CD1 3.49Å; L485-L494 HydrophobicContact CD1-CG 4.36Å; L485-L494 HydrophobicContact CG-CD1 4.1Å; L494-F523 HydrophobicContact CB-CD1 4.01Å; L494-F523 HydrophobicContact CD1-CD1 4.21Å; L494-Q524 CarbonylContact C-O 2.8Å; L494-Q524 WeakPolarHBondContact CA-O 3.44Å; L494-L525 HydrophobicContact CD2-CB 4.08Å; L494-L525 HydrophobicContact CD2-CD1 3.71Å
495R95.5Very high87.7Confident76 Ų7655 Ų5529%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-93.6128.2167-177.3175.2-64.2-79.9-3.7109.8Q481 L482 L497 F523 Q524 V526Q481-R495 CarbonylContact O-C 3.52Å; Q481-R495 WeakPolarHBondContact O-CA 3.4Å; L482-R495 HydrophobicContact CD2-CB 4.16Å; R495-L497 HydrophobicContact CG-CD2 4.18Å; R495-F523 CarbonylContact O-C 3.58Å; R495-F523 VanDerWaalsContact O-CA 3.29Å; R495-F523 WeakPolarHBondContact O-CA 3.27Å; R495-Q524 PolarHBondContact N-O 3.15Å; R495-Q524 PolarHBondContact O-N 3.14Å; R495-V526 HydrophobicContact CB-CG2 4.15Å
496Y96.3Very high85.4Confident31 Ų3161.5 Ų61.512%0.12234%0.342CS..EExtended strand (participates in β ladder)trans-91.5126.8171.4178.7-124.4000110.4L444 I464 W476 G480 Q481 A498 V501 A522 F523L444-Y496 HydrophobicContact CD1-CD2 4.26Å; L444-Y496 HydrophobicContact CD1-CE1 4.36Å; L444-Y496 HydrophobicContact CD1-CE2 3.82Å; I464-Y496 HydrophobicContact CG2-CE2 3.87Å; W476-Y496 HydrophobicContact CH2-CD1 4.25Å; W476-Y496 AromaticContact CH2-CG 3.99Å; W476-Y496 HydrophobicContact CH2-CG 3.99Å; W476-Y496 HydrophobicContact CZ3-CD1 4.08Å; W476-Y496 HydrophobicContact CZ3-CG 4.01Å; G480-Y496 WeakPolarHBondContact O-CD1 3.38Å; Q481-Y496 PolarHBondContact O-N 3.5Å; Y496-A498 HydrophobicContact CD1-CB 4.39Å; Y496-A498 HydrophobicContact CE1-CB 3.75Å; Y496-V501 HydrophobicContact CE2-CG2 4.28Å; Y496-A522 CarbonylContact C-O 3.48Å; Y496-A522 WeakPolarHBondContact CA-O 3.39Å; Y496-A522 VanDerWaalsContact CD2-O 3.23Å; Y496-A522 WeakPolarHBondContact CD2-O 3.44Å; Y496-A522 HydrophobicContact CE2-CB 4.21Å; Y496-F523 HydrophobicContact CD2-CD1 4.34Å; Y496-F523 HydrophobicContact CD2-CD2 4.36Å; Y496-F523 AromaticContact CD2-CE1 3.89Å; Y496-F523 HydrophobicContact CD2-CE1 3.89Å; Y496-F523 AromaticContact CD2-CE2 3.92Å; Y496-F523 HydrophobicContact CD2-CE2 3.92Å; Y496-F523 AromaticContact CD2-CZ 3.68Å; Y496-F523 HydrophobicContact CD2-CZ 3.68Å; Y496-F523 HydrophobicContact CE2-CE2 4.34Å; Y496-F523 HydrophobicContact CE2-CZ 4.37Å; Y496-F523 HydrophobicContact CG-CE1 4.2Å; Y496-F523 HydrophobicContact CG-CZ 4.3Å
497L95.2Very high83Confident67 Ų6763.3 Ų63.335%0.35136%0.355SS..  trans-110.684.4-179.6-63.4173.5000108.9R495 D499 A500 A522R495-L497 HydrophobicContact CG-CD2 4.18Å; L497-D499 PolarHBondContact O-N 2.79Å; L497-A500 HydrophobicContact CB-CB 4.14Å; L497-A500 WeakPolarHBondContact O-CB 3.36Å; L497-A500 PolarHBondContact O-N 3.43Å; L497-A522 PolarHBondContact N-O 3.31Å
498A91Very high80.5Confident52 Ų5268.6 Ų68.643%0.4339%0.387SS..G310 helixtrans-55.9-38.1-177.500000112.8Y496 A500 V501Y496-A498 HydrophobicContact CD1-CB 4.39Å; Y496-A498 HydrophobicContact CE1-CB 3.75Å; A498-A500 PolarHBondContact O-N 2.87Å; A498-V501 WeakPolarHBondContact O-CB 3.44Å; A498-V501 PolarHBondContact O-N 3.03Å
499D89.8Confident78.3Confident170 Ų17070.3 Ų70.391%0.90939%0.394SS*.G310 helixtrans-65.9-18-179.7-56-23000113.5L497 V501L497-D499 PolarHBondContact O-N 2.79Å; D499-V501 VanDerWaalsContact C-N 3.27Å
500A87.5Confident75.6Confident41 Ų4172.3 Ų72.334%0.33941%0.405SS..G310 helixtrans-78.6-13.1174.800000112.6L497 A498 K521L497-A500 HydrophobicContact CB-CB 4.14Å; L497-A500 WeakPolarHBondContact O-CB 3.36Å; L497-A500 PolarHBondContact O-N 3.43Å; A498-A500 PolarHBondContact O-N 2.87Å; A500-K521 HydrophobicContact CB-CB 3.99Å; A500-K521 WeakPolarHBondContact CB-O 3.1Å
501V85.2Confident72.9Confident26 Ų2677.9 Ų77.916%0.15843%0.434CS..SBendtrans-91.9117177-176.80000108.7I464 Y496 A498 D499 D503 Y519 A522I464-V501 HydrophobicContact CD1-CG1 3.79Å; I464-V501 HydrophobicContact CD1-CG2 4.48Å; I464-V501 HydrophobicContact CG2-CG2 4.03Å; Y496-V501 HydrophobicContact CE2-CG2 4.28Å; A498-V501 WeakPolarHBondContact O-CB 3.44Å; A498-V501 PolarHBondContact O-N 3.03Å; D499-V501 VanDerWaalsContact C-N 3.27Å; V501-D503 PolarHBondContact O-N 3.29Å; V501-Y519 HydrophobicContact CG1-CD2 3.97Å; V501-Y519 HydrophobicContact CG1-CE2 3.98Å; V501-Y519 HydrophobicContact CG2-CD2 4.43Å; V501-A522 HydrophobicContact CG2-CB 3.87Å
502P77.4Confident70.3Confident56 Ų5685.9 Ų85.936%0.36448%0.477SS..PPolyproline II helixtrans-66.7134.6-178.514.4-16.1000112.2S504 Y519P502-S504 PolarHBondContact O-N 3.31Å; P502-Y519 HydrophobicContact CG-CD1 4.16Å; P502-Y519 HydrophobicContact CG-CE1 3.4Å; P502-Y519 VanDerWaalsContact CG-CE1 3.4Å
503D68.6Low67.8Low126 Ų12691.9 Ų91.967%0.67451%0.505SS*.PPolyproline II helixtrans-52.4131.7178.5-93.2-31.4000112.1V501 N505 L506V501-D503 PolarHBondContact O-N 3.29Å; D503-N505 PolarHBondContact O-N 3.34Å; D503-L506 PolarHBondContact O-N 2.98Å
504S57.7Low65.8Low62 Ų6298 Ų9843%0.43453%0.533SS..THydrogen-bonded Turntrans-53.1-32.2-177580000113.3P502P502-S504 PolarHBondContact O-N 3.31Å
505N49.9Very low64.2Low144 Ų144102.6 Ų102.677%0.7756%0.558SS**THydrogen-bonded Turntrans-79-16.4-178.6-70.9-29.7000114.7D503D503-N505 PolarHBondContact O-N 3.34Å
506L47.1Very low63.5Low139 Ų139105 Ų10573%0.72858%0.576SS**THydrogen-bonded Turntrans-99.1-22.1-177-114.283.5000113.8D503 T508D503-L506 PolarHBondContact O-N 2.98Å; L506-T508 VanDerWaalsContact C-N 3.26Å; L506-T508 PolarHBondContact O-N 3.1Å
507S46.4Very low62.9Low39 Ų39107.2 Ų107.227%0.27359%0.589SS.*THydrogen-bonded Turntrans-77.1-0.4-169.464.90000115.9R462 I509R462-S507 PolarHBondContact NH1-OG 2.92Å; R462-S507 VanDerWaalsContact NH1-OG 3.14Å; R462-S507 PolarHBondContact NH2-OG 3.46Å; S507-I509 PolarHBondContact O-N 3.23Å
508T41.9Very low62.6Low128 Ų128104.3 Ų104.379%0.78558%0.575SS**THydrogen-bonded Turntrans-74.7-7.7178.8-8.20000114.2L506L506-T508 VanDerWaalsContact C-N 3.26Å; L506-T508 PolarHBondContact O-N 3.1Å
509I43.2Very low62.6Low141 Ų141104.2 Ų104.272%0.72357%0.565SS**SBendtrans-106-27.3-170-60.5179.6000113.4S507S507-I509 PolarHBondContact O-N 3.23Å
510N35.9Very low62.5Low137 Ų137103 Ų10373%0.73355%0.553SS**SBendtrans-156.486.5-177.7-79.5-40.3000112.3
511N38.1Very low62.6Low146 Ų146109.1 Ų109.178%0.78157%0.572SS**  trans166.8117136.8-87.6-15.2000111.3H513N511-H513 PolarHBondContact O-N 3.32Å
512N40.8Very low63Low168 Ų168107.9 Ų107.990%0.89857%0.565SS**SBendtrans-79.824.2177.5-91-10000114.1
513H44.8Very low63.9Low162 Ų162106.4 Ų106.475%0.7555%0.553SS**  trans-134.885173.7-76.5-71000108.1N511 D515N511-H513 PolarHBondContact O-N 3.32Å; H513-D515 PolarHBondContact O-N 3.09Å; H513-D515 VanDerWaalsContact O-N 3.12Å
514E53.4Low65.2Low128 Ų128105.6 Ų105.660%0.59855%0.545SS*.  trans-65.3101.4147.4-69.5-169.2149.100104.8R462 I516R462-E514 IonicContact CZ-OE1 3.85Å; R462-E514 IonicContact NE-OE1 3.32Å; R462-E514 PolarHBondContact NE-OE1 3.17Å; R462-E514 IonicContact NH2-OE1 2.74Å; R462-E514 PolarHBondContact NH2-OE1 2.71Å; E514-I516 PolarHBondContact O-N 3.27Å
515D63Low66.9Low116 Ų116106.6 Ų106.662%0.6255%0.545SS*.  trans-51.2136175.8-103.3-34.1000108.8H513 D517 G518H513-D515 PolarHBondContact O-N 3.09Å; H513-D515 VanDerWaalsContact O-N 3.12Å; D515-D517 PolarHBondContact O-N 3.14Å; D515-G518 PolarHBondContact O-N 2.81Å
516I80.1Confident68.9Low127 Ų127100.8 Ų100.865%0.65151%0.514SS*.THydrogen-bonded Turntrans-55.2-28.8-177.1-70.5166.3000111E514E514-I516 PolarHBondContact O-N 3.27Å
517D84.5Confident70.8Confident76 Ų7699 Ų9941%0.40651%0.511SS..THydrogen-bonded Turntrans-98.75.1-179.4-59.4-36000113.9R465 R466 D515R465-D517 CarbonylContact C-O 3.59Å; R465-D517 WeakPolarHBondContact CA-O 3.46Å; R465-D517 WeakPolarHBondContact CD-O 3.12Å; R466-D517 HydrophobicContact CB-CB 4.1Å; R466-D517 PolarHBondContact N-O 2.8Å; D515-D517 PolarHBondContact O-N 3.14Å
518G88Confident72.8Confident6 Ų6103.1 Ų103.16%0.06253%0.53CS..BIsolated β-bridgetrans73.2-158.2-176.400000113.9I464 D515 E520I464-G518 CarbonylContact O-C 3.6Å; D515-G518 PolarHBondContact O-N 2.81Å; G518-E520 PolarHBondContact O-N 2.89Å
519Y90.3Very high75Confident51 Ų5197 Ų9720%0.249%0.493CS..  trans-86.3106.2-170.9-57.6-80000112R462 I464 R465 V501 P502 K521 A522R462-Y519 PolarHBondContact NE-OH 2.97Å; R462-Y519 PolarHBondContact NH1-OH 3.13Å; R462-Y519 PolarHBondContact NH2-OH 2.95Å; I464-Y519 PolarHBondContact O-N 2.95Å; R465-Y519 WeakPolarHBondContact CD-O 3.47Å; V501-Y519 HydrophobicContact CG1-CD2 3.97Å; V501-Y519 HydrophobicContact CG1-CE2 3.98Å; V501-Y519 HydrophobicContact CG2-CD2 4.43Å; P502-Y519 HydrophobicContact CG-CD1 4.16Å; P502-Y519 HydrophobicContact CG-CE1 3.4Å; P502-Y519 VanDerWaalsContact CG-CE1 3.4Å; Y519-K521 VanDerWaalsContact C-N 3.28Å; Y519-K521 PolarHBondContact O-N 2.8Å; Y519-A522 WeakPolarHBondContact O-CB 3.17Å; Y519-A522 PolarHBondContact O-N 2.87Å
520E87.7Confident77.5Confident143 Ų14395.9 Ų95.967%0.66849%0.485SS*.G310 helixtrans-55.7-39.1-177.9-175.5161.5-152.700114.3R465 G518 A522R465-E520 VanDerWaalsContact CZ-CA 3.49Å; R465-E520 IonicContact NH2-OE1 3.93Å; G518-E520 PolarHBondContact O-N 2.89Å; E520-A522 PolarHBondContact O-N 3.46Å
521K90.8Very high80.3Confident170 Ų17090.4 Ų90.474%0.73946%0.456SS*.G310 helixtrans-74.9-4.9179.3-65.1-174.9178.8-179.10114.4A500 Y519 F523A500-K521 HydrophobicContact CB-CB 3.99Å; A500-K521 WeakPolarHBondContact CB-O 3.1Å; Y519-K521 VanDerWaalsContact C-N 3.28Å; Y519-K521 PolarHBondContact O-N 2.8Å; K521-F523 PolarHBondContact O-N 3.49Å
522A94Very high82.9Confident0 Ų088.5 Ų88.50%045%0.454CS..G310 helixtrans-67.6-26.7179.900000112.3I464 Y496 L497 V501 Y519 E520I464-A522 HydrophobicContact CG2-CB 3.99Å; Y496-A522 CarbonylContact C-O 3.48Å; Y496-A522 WeakPolarHBondContact CA-O 3.39Å; Y496-A522 VanDerWaalsContact CD2-O 3.23Å; Y496-A522 WeakPolarHBondContact CD2-O 3.44Å; Y496-A522 HydrophobicContact CE2-CB 4.21Å; L497-A522 PolarHBondContact N-O 3.31Å; V501-A522 HydrophobicContact CG2-CB 3.87Å; Y519-A522 WeakPolarHBondContact O-CB 3.17Å; Y519-A522 PolarHBondContact O-N 2.87Å; E520-A522 PolarHBondContact O-N 3.46Å
523F95.6Very high85.3Confident25 Ų2581.7 Ų81.711%0.1142%0.42CS..EExtended strand (participates in β ladder)trans-126.9143178.4-72.8-86.4000111.7L444 F455 I464 R465 W476 V483 L494 R495 Y496 K521L444-F523 HydrophobicContact CD1-CE2 4.32Å; L444-F523 HydrophobicContact CD1-CZ 3.98Å; F455-F523 HydrophobicContact CB-CE2 4.5Å; F455-F523 HydrophobicContact CD2-CE1 4.41Å; F455-F523 AromaticContact CD2-CE2 3.71Å; F455-F523 HydrophobicContact CD2-CE2 3.71Å; F455-F523 AromaticContact CD2-CZ 3.53Å; F455-F523 HydrophobicContact CD2-CZ 3.53Å; F455-F523 HydrophobicContact CE2-CE1 4.22Å; F455-F523 HydrophobicContact CE2-CE2 4.3Å; F455-F523 AromaticContact CE2-CZ 3.76Å; F455-F523 HydrophobicContact CE2-CZ 3.76Å; F455-F523 HydrophobicContact CG-CE2 4.36Å; F455-F523 HydrophobicContact CG-CZ 4.14Å; I464-F523 HydrophobicContact CG2-CE2 4.3Å; R465-F523 HydrophobicContact CB-CD2 3.65Å; R465-F523 HydrophobicContact CB-CE2 3.81Å; R465-F523 HydrophobicContact CG-CD2 3.89Å; R465-F523 HydrophobicContact CG-CE2 4.49Å; W476-F523 AromaticContact CH2-CE1 3.73Å; W476-F523 HydrophobicContact CH2-CE1 3.73Å; W476-F523 AromaticContact CH2-CZ 3.75Å; W476-F523 HydrophobicContact CH2-CZ 3.75Å; W476-F523 HydrophobicContact CZ2-CE1 4.32Å; W476-F523 HydrophobicContact CZ2-CZ 4.17Å; V483-F523 HydrophobicContact CG1-CD1 4.29Å; V483-F523 HydrophobicContact CG1-CE1 3.82Å; L494-F523 HydrophobicContact CB-CD1 4.01Å; L494-F523 HydrophobicContact CD1-CD1 4.21Å; R495-F523 CarbonylContact O-C 3.58Å; R495-F523 VanDerWaalsContact O-CA 3.29Å; R495-F523 WeakPolarHBondContact O-CA 3.27Å; Y496-F523 HydrophobicContact CD2-CD1 4.34Å; Y496-F523 HydrophobicContact CD2-CD2 4.36Å; Y496-F523 AromaticContact CD2-CE1 3.89Å; Y496-F523 HydrophobicContact CD2-CE1 3.89Å; Y496-F523 AromaticContact CD2-CE2 3.92Å; Y496-F523 HydrophobicContact CD2-CE2 3.92Å; Y496-F523 AromaticContact CD2-CZ 3.68Å; Y496-F523 HydrophobicContact CD2-CZ 3.68Å; Y496-F523 HydrophobicContact CE2-CE2 4.34Å; Y496-F523 HydrophobicContact CE2-CZ 4.37Å; Y496-F523 HydrophobicContact CG-CE1 4.2Å; Y496-F523 HydrophobicContact CG-CZ 4.3Å; K521-F523 PolarHBondContact O-N 3.49Å
524Q95.1Very high87.5Confident110 Ų11077.8 Ų77.851%0.51440%0.402SS..EExtended strand (participates in β ladder)trans-132.3131.6173.9-176.4-178.94.800109.5L494 R495 V526L494-Q524 CarbonylContact C-O 2.8Å; L494-Q524 WeakPolarHBondContact CA-O 3.44Å; R495-Q524 PolarHBondContact N-O 3.15Å; R495-Q524 PolarHBondContact O-N 3.14Å; Q524-V526 PolarHBondContact O-N 2.99Å
525L94.4Very high89.5Confident82 Ų8271.8 Ų71.843%0.42937%0.374SS..EExtended strand (participates in β ladder)trans-65.3127170.5-176.266.3000109.5F492 L494F492-L525 HydrophobicContact CB-CD1 4.41Å; F492-L525 HydrophobicContact CD1-CD1 4.35Å; L494-L525 HydrophobicContact CD2-CB 4.08Å; L494-L525 HydrophobicContact CD2-CD1 3.71Å
526V91.8Very high90.8Very high22 Ų2268.3 Ų68.313%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-68.8141.9175.5177.50000108.7L482 I493 R495 Q524 N528 G529L482-V526 HydrophobicContact CD2-CG2 3.88Å; I493-V526 HydrophobicContact CB-CB 4.44Å; I493-V526 HydrophobicContact CG2-CB 4.15Å; I493-V526 HydrophobicContact CG2-CG2 3.9Å; I493-V526 WeakPolarHBondContact O-CB 3.45Å; I493-V526 WeakPolarHBondContact O-CG2 3.3Å; I493-V526 PolarHBondContact O-N 3.3Å; R495-V526 HydrophobicContact CB-CG2 4.15Å; Q524-V526 PolarHBondContact O-N 2.99Å; V526-N528 PolarHBondContact O-N 3.16Å; V526-G529 WeakPolarHBondContact O-CA 3.29Å; V526-G529 PolarHBondContact O-N 3.25Å
527P87.8Confident91.4Very high102 Ų10262.9 Ų62.966%0.66233%0.328SS*.EExtended strand (participates in β ladder)trans-52133173.8-26.334.9000111.2G529P527-G529 PolarHBondContact O-N 3.08Å; P527-G529 VanDerWaalsContact O-N 3.08Å
528N87.4Confident91.9Very high125 Ų12559.3 Ų59.367%0.66831%0.309SS*.EExtended strand (participates in β ladder)trans54.323-173.7-55.5-22.8000113.8V526 E530 F557V526-N528 PolarHBondContact O-N 3.16Å; N528-E530 VanDerWaalsContact C-N 3.28Å; N528-E530 PolarHBondContact O-N 2.9Å; N528-F557 WeakPolarHBondContact O-CE2 3.2Å
529G89.2Confident92.2Very high1 Ų163.1 Ų63.11%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-80.7-4.7179.300000113.8F492 I493 V526 P527F492-G529 CarbonylContact C-O 3.58Å; F492-G529 VanDerWaalsContact CA-O 3.23Å; F492-G529 WeakPolarHBondContact CA-O 3.48Å; I493-G529 PolarHBondContact N-O 3.17Å; V526-G529 WeakPolarHBondContact O-CA 3.29Å; V526-G529 PolarHBondContact O-N 3.25Å; P527-G529 PolarHBondContact O-N 3.08Å; P527-G529 VanDerWaalsContact O-N 3.08Å
530E94.8Very high92.3Very high117 Ų11761.3 Ų61.355%0.54731%0.314SS..EExtended strand (participates in β ladder)trans-93.1115.4169.3178.2174.5178.300109F492 N528F492-E530 HydrophobicContact CD1-CB 4.09Å; F492-E530 HydrophobicContact CD1-CG 4.04Å; F492-E530 HydrophobicContact CE1-CB 4.12Å; F492-E530 HydrophobicContact CE1-CG 3.6Å; F492-E530 HydrophobicContact CZ-CG 4.31Å; N528-E530 VanDerWaalsContact C-N 3.28Å; N528-E530 PolarHBondContact O-N 2.9Å
531V94.3Very high92.4Very high21 Ų2156 Ų5613%0.12729%0.289CS..EExtended strand (participates in β ladder)trans-129.8123.9-173.2179.60000110T490 F491 S533 F557 V562T490-V531 CarbonylContact C-O 3.47Å; T490-V531 VanDerWaalsContact CA-O 3.24Å; T490-V531 WeakPolarHBondContact CA-O 3.27Å; F491-V531 HydrophobicContact CD1-CB 3.95Å; F491-V531 HydrophobicContact CD1-CG1 4.16Å; F491-V531 HydrophobicContact CD2-CB 4.33Å; F491-V531 HydrophobicContact CE1-CB 3.5Å; F491-V531 VanDerWaalsContact CE1-CB 3.5Å; F491-V531 HydrophobicContact CE1-CG1 3.39Å; F491-V531 HydrophobicContact CE1-CG2 4.23Å; F491-V531 HydrophobicContact CE2-CB 3.88Å; F491-V531 HydrophobicContact CE2-CG2 3.85Å; F491-V531 HydrophobicContact CG-CB 4.37Å; F491-V531 HydrophobicContact CZ-CB 3.45Å; F491-V531 VanDerWaalsContact CZ-CB 3.45Å; F491-V531 HydrophobicContact CZ-CG1 3.6Å; F491-V531 HydrophobicContact CZ-CG2 3.64Å; F491-V531 PolarHBondContact N-O 2.79Å; F491-V531 PolarHBondContact O-N 2.86Å; V531-S533 VanDerWaalsContact C-N 3.34Å; V531-S533 PolarHBondContact O-N 3.43Å; V531-F557 HydrophobicContact CG2-CD2 3.85Å; V531-F557 HydrophobicContact CG2-CE2 3.68Å; V531-V562 HydrophobicContact CG1-CG2 3.55Å; V531-V562 HydrophobicContact CG2-CG2 4.37Å
532S93.6Very high92.1Very high107 Ų10749.6 Ų49.675%0.74827%0.271SS*.  trans-77.382173.5-58.90000110.9D489D489-S532 CarbonylContact O-C 3.59Å
533S91Very high91.9Very high24 Ų2451.6 Ų51.617%0.16828%0.282CS..  trans-145.3135.6174.6-165.10000111.9D489 V531 V535D489-S533 CarbonylContact O-C 3.59Å; D489-S533 VanDerWaalsContact O-C 3.23Å; D489-S533 PolarHBondContact O-N 3.35Å; V531-S533 VanDerWaalsContact C-N 3.34Å; V531-S533 PolarHBondContact O-N 3.43Å; S533-V535 PolarHBondContact O-N 3.18Å; S533-V535 VanDerWaalsContact O-N 3.07Å
534Q91.5Very high91.7Very high81 Ų8150.5 Ų50.538%0.37928%0.277SS..  trans-80.485.5177.7-67.9-178.8-21.800110.9N488 D489 L536 T549 Q550N488-Q534 WeakPolarHBondContact O-CG 3.44Å; D489-Q534 PolarHBondContact OD1-NE2 3.34Å; Q534-L536 PolarHBondContact O-N 2.77Å; Q534-T549 VanDerWaalsContact O-CA 3.25Å; Q534-T549 WeakPolarHBondContact O-CA 3.3Å; Q534-Q550 HydrophobicContact CB-CB 4.27Å; Q534-Q550 HydrophobicContact CB-CG 4.26Å; Q534-Q550 PolarHBondContact O-N 2.83Å; Q534-Q550 VanDerWaalsContact O-N 3.1Å
535V94.4Very high91.7Very high2 Ų245.3 Ų45.31%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-66.4123.9176.4178.20000110K472 C486 F491 S533 F545 F547K472-V535 WeakPolarHBondContact CE-O 3.17Å; K472-V535 PolarHBondContact NZ-O 2.75Å; C486-V535 HydrophobicContact CB-CB 4.07Å; C486-V535 HydrophobicContact CB-CG1 4.3Å; C486-V535 HydrophobicContact CB-CG2 4.46Å; F491-V535 HydrophobicContact CB-CG2 4.14Å; F491-V535 HydrophobicContact CD1-CG2 3.5Å; F491-V535 HydrophobicContact CE1-CG2 4.16Å; F491-V535 HydrophobicContact CG-CG2 4.06Å; S533-V535 PolarHBondContact O-N 3.18Å; S533-V535 VanDerWaalsContact O-N 3.07Å; V535-F545 HydrophobicContact CG2-CE1 4.45Å; V535-F547 HydrophobicContact CB-CD2 4.49Å; V535-F547 HydrophobicContact CG1-CB 3.97Å; V535-F547 HydrophobicContact CG1-CD2 4.49Å; V535-F547 HydrophobicContact CG2-CD2 3.82Å; V535-F547 HydrophobicContact CG2-CE2 4.21Å; V535-F547 HydrophobicContact CG2-CG 4.2Å
536L91.2Very high91.7Very high42 Ų4241.4 Ų41.422%0.2223%0.233CC..EExtended strand (participates in β ladder)trans-83-57.6170.7177.464.8000109.7Q534 T548 P571 Y573Q534-L536 PolarHBondContact O-N 2.77Å; L536-T548 PolarHBondContact N-O 2.96Å; L536-P571 HydrophobicContact CD2-CB 4.43Å; L536-Y573 HydrophobicContact CD1-CE1 4.01Å; L536-Y573 HydrophobicContact CD2-CD1 4.46Å; L536-Y573 HydrophobicContact CD2-CE1 4Å; L536-Y573 HydrophobicContact CD2-CE2 4.42Å; L536-Y573 HydrophobicContact CG-CD1 4.38Å; L536-Y573 HydrophobicContact CG-CE1 3.83Å
537N93Very high92Very high14 Ų1440.4 Ų40.48%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-146.4162.1169.697.2-33.8000110.5F547 T548 Y573 L574N537-F547 CarbonylContact O-C 3.54Å; N537-F547 WeakPolarHBondContact O-CA 3.37Å; N537-F547 VanDerWaalsContact O-CB 3.25Å; N537-F547 WeakPolarHBondContact O-CB 3.44Å; N537-T548 PolarHBondContact O-N 3.19Å; N537-T548 PolarHBondContact OD1-OG1 3.16Å; N537-T548 VanDerWaalsContact OD1-OG1 3.08Å; N537-Y573 HydrophobicContact CB-CD1 4.02Å; N537-L574 VanDerWaalsContact CG-N 3.31Å; N537-L574 PolarHBondContact ND2-N 3.29Å; N537-L574 PolarHBondContact ND2-O 3.39Å; N537-L574 VanDerWaalsContact OD1-CB 3.28Å; N537-L574 WeakPolarHBondContact OD1-CB 3.27Å; N537-L574 PolarHBondContact OD1-N 3.17Å
538G94.2Very high92.4Very high1 Ų135.6 Ų35.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-158.1164.2177.400000113.9Y475 I546Y475-G538 WeakPolarHBondContact CD1-O 3.33Å; Y475-G538 VanDerWaalsContact CE1-O 3.23Å; Y475-G538 WeakPolarHBondContact CE1-O 3.33Å; G538-I546 CarbonylContact C-O 3.54Å; G538-I546 WeakPolarHBondContact CA-O 3.45Å
539R94.2Very high92.7Very high86 Ų8630.2 Ų30.233%0.32517%0.167SC..EExtended strand (participates in β ladder)trans-147.5152.7172.6-69.4-161.2177.5-170.73.9110.5I546 L574 L575R539-I546 PolarHBondContact N-O 3.39Å; R539-I546 PolarHBondContact O-N 3.15Å; R539-I546 VanDerWaalsContact O-O 3.09Å; R539-L574 HydrophobicContact CB-CD2 3.75Å; R539-L574 HydrophobicContact CG-CD2 4.19Å; R539-L575 PolarHBondContact NE-O 3.14Å; R539-L575 PolarHBondContact NH1-O 2.72Å; R539-L575 PolarHBondContact NH2-O 3.07Å
540W93.2Very high92.5Very high12 Ų1235.2 Ų35.25%0.04519%0.19CC..EExtended strand (participates in β ladder)trans-86.8143.4172.5-70.790.5000111.6Y475 W476 N477 L482 A484 I493 D543 A544 F545Y475-W540 PolarHBondContact O-NE1 2.85Å; W476-W540 VanDerWaalsContact O-CD1 3.27Å; N477-W540 VanDerWaalsContact CA-CG 3.48Å; N477-W540 HydrophobicContact CB-CB 3.75Å; N477-W540 HydrophobicContact CB-CD2 3.56Å; N477-W540 HydrophobicContact CB-CE3 3.74Å; N477-W540 HydrophobicContact CB-CG 3.57Å; N477-W540 HydrophobicContact CB-CZ3 4.49Å; L482-W540 HydrophobicContact CB-CH2 3.63Å; L482-W540 HydrophobicContact CB-CZ2 3.95Å; L482-W540 HydrophobicContact CB-CZ3 3.97Å; L482-W540 HydrophobicContact CD1-CH2 3.94Å; L482-W540 HydrophobicContact CD1-CZ3 3.7Å; L482-W540 HydrophobicContact CG-CH2 4.36Å; L482-W540 HydrophobicContact CG-CZ3 4.48Å; A484-W540 HydrophobicContact CB-CZ2 3.92Å; I493-W540 HydrophobicContact CD1-CH2 3.88Å; I493-W540 HydrophobicContact CD1-CZ2 3.77Å; I493-W540 HydrophobicContact CG2-CH2 3.83Å; I493-W540 HydrophobicContact CG2-CZ2 4.32Å; W540-D543 WeakPolarHBondContact CZ3-O 3.13Å; W540-A544 CarbonylContact C-O 3.54Å; W540-A544 WeakPolarHBondContact CA-O 3.41Å; W540-F545 AromaticContact CD1-CD2 3.77Å; W540-F545 HydrophobicContact CD2-CB 3.96Å; W540-F545 AromaticContact CD2-CD2 3.94Å; W540-F545 HydrophobicContact CD2-CD2 3.94Å; W540-F545 HydrophobicContact CD2-CG 4.41Å; W540-F545 AromaticContact CE2-CD2 3.65Å; W540-F545 HydrophobicContact CE3-CB 3.92Å; W540-F545 HydrophobicContact CG-CD2 4.03Å; W540-F545 HydrophobicContact CH2-CB 3.89Å; W540-F545 HydrophobicContact CZ2-CB 3.94Å; W540-F545 HydrophobicContact CZ2-CD2 4.22Å; W540-F545 HydrophobicContact CZ2-CG 4.25Å; W540-F545 HydrophobicContact CZ3-CB 3.88Å; W540-F545 AromaticContact NE1-CD2 3.52Å
541F88.2Confident92.2Very high32 Ų3232 Ų3214%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-130.7111.7161.8-102.9-85.2000109.1D543 A544 I546 Y577F541-D543 PolarHBondContact O-N 2.91Å; F541-D543 VanDerWaalsContact O-N 3.13Å; F541-A544 PolarHBondContact N-O 3.34Å; F541-A544 WeakPolarHBondContact O-CB 3.04Å; F541-A544 PolarHBondContact O-N 3.26Å; F541-I546 HydrophobicContact CB-CD1 4.01Å; F541-I546 HydrophobicContact CD2-CD1 4.48Å; F541-Y577 AromaticContact CD1-CD1 3.28Å; F541-Y577 HydrophobicContact CD1-CD1 3.28Å; F541-Y577 AromaticContact CD1-CE1 3.92Å; F541-Y577 HydrophobicContact CD1-CE1 3.92Å; F541-Y577 AromaticContact CD1-CG 3.96Å; F541-Y577 HydrophobicContact CD1-CG 3.96Å; F541-Y577 VanDerWaalsContact CD2-CB 3.48Å; F541-Y577 HydrophobicContact CD2-CD1 4.32Å; F541-Y577 HydrophobicContact CD2-CG 4.19Å; F541-Y577 AromaticContact CE1-CD1 3.29Å; F541-Y577 HydrophobicContact CE1-CD1 3.29Å; F541-Y577 HydrophobicContact CE1-CE1 4.2Å; F541-Y577 HydrophobicContact CE1-CG 4Å; F541-Y577 HydrophobicContact CE2-CD1 4.36Å; F541-Y577 HydrophobicContact CE2-CG 4.25Å; F541-Y577 AromaticContact CG-CD1 3.85Å; F541-Y577 HydrophobicContact CG-CD1 3.85Å; F541-Y577 HydrophobicContact CG-CG 4.08Å; F541-Y577 VanDerWaalsContact CZ-CB 3.46Å; F541-Y577 AromaticContact CZ-CD1 3.87Å; F541-Y577 HydrophobicContact CZ-CD1 3.87Å; F541-Y577 HydrophobicContact CZ-CG 4.15Å
542G86.1Confident92.1Very high36 Ų3632.9 Ų32.937%0.37119%0.192SC..THydrogen-bonded Turntrans56.2-117.4-165.600000110.6
543D88.5Confident92.1Very high42 Ų4233.8 Ų33.823%0.22518%0.179CC..THydrogen-bonded Turntrans-107.29.5177.5-60.7-42.6000113.3N477 L482 W540 F541 T607 R611N477-D543 PolarHBondContact ND2-OD1 3.3Å; L482-D543 HydrophobicContact CD1-CB 4Å; W540-D543 WeakPolarHBondContact CZ3-O 3.13Å; F541-D543 PolarHBondContact O-N 2.91Å; F541-D543 VanDerWaalsContact O-N 3.13Å; D543-T607 HydrophobicContact CB-CG2 4.24Å; D543-R611 IonicContact OD2-CZ 3.06Å; D543-R611 IonicContact OD2-NH1 2.72Å; D543-R611 IonicContact OD2-NH2 3.49Å; D543-R611 PolarHBondContact OD2-NH2 2.86Å
544A91Very high92.4Very high2 Ų232.7 Ų32.72%0.01717%0.171CC..EExtended strand (participates in β ladder)trans-92.3125.9171.700000110.1W540 F541 F557 V558 L603W540-A544 CarbonylContact C-O 3.54Å; W540-A544 WeakPolarHBondContact CA-O 3.41Å; F541-A544 PolarHBondContact N-O 3.34Å; F541-A544 WeakPolarHBondContact O-CB 3.04Å; F541-A544 PolarHBondContact O-N 3.26Å; A544-F557 WeakPolarHBondContact CA-O 3.42Å; A544-V558 HydrophobicContact CB-CG2 3.34Å; A544-L603 HydrophobicContact CB-CD1 4.11Å; A544-L603 HydrophobicContact CB-CD2 3.9Å; A544-L603 HydrophobicContact CB-CG 4.46Å
545F95.3Very high92.6Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-95.5107.8172.2-179.9-115.8000109.5Y475 A484 F491 I493 V535 W540 F547 Y556 F557Y475-F545 AromaticContact CD2-CE2 3.83Å; Y475-F545 HydrophobicContact CD2-CE2 3.83Å; Y475-F545 AromaticContact CD2-CZ 3.75Å; Y475-F545 HydrophobicContact CD2-CZ 3.75Å; Y475-F545 HydrophobicContact CE2-CZ 4.32Å; Y475-F545 AromaticContact CG-CE2 3.97Å; Y475-F545 HydrophobicContact CG-CE2 3.97Å; Y475-F545 HydrophobicContact CG-CZ 4.35Å; A484-F545 HydrophobicContact CB-CD1 4.12Å; A484-F545 HydrophobicContact CB-CD2 3.91Å; A484-F545 HydrophobicContact CB-CE1 3.94Å; A484-F545 HydrophobicContact CB-CE2 3.73Å; A484-F545 HydrophobicContact CB-CG 4.1Å; A484-F545 HydrophobicContact CB-CZ 3.74Å; F491-F545 HydrophobicContact CE2-CD1 4.28Å; I493-F545 HydrophobicContact CD1-CB 4.35Å; I493-F545 HydrophobicContact CD1-CD1 4.3Å; I493-F545 HydrophobicContact CD1-CG 4.4Å; V535-F545 HydrophobicContact CG2-CE1 4.45Å; W540-F545 AromaticContact CD1-CD2 3.77Å; W540-F545 HydrophobicContact CD2-CB 3.96Å; W540-F545 AromaticContact CD2-CD2 3.94Å; W540-F545 HydrophobicContact CD2-CD2 3.94Å; W540-F545 HydrophobicContact CD2-CG 4.41Å; W540-F545 AromaticContact CE2-CD2 3.65Å; W540-F545 HydrophobicContact CE3-CB 3.92Å; W540-F545 HydrophobicContact CG-CD2 4.03Å; W540-F545 HydrophobicContact CH2-CB 3.89Å; W540-F545 HydrophobicContact CZ2-CB 3.94Å; W540-F545 HydrophobicContact CZ2-CD2 4.22Å; W540-F545 HydrophobicContact CZ2-CG 4.25Å; W540-F545 HydrophobicContact CZ3-CB 3.88Å; W540-F545 AromaticContact NE1-CD2 3.52Å; F545-F547 AromaticContact CD1-CD1 3.78Å; F545-F547 HydrophobicContact CD1-CD1 3.78Å; F545-F547 HydrophobicContact CD1-CE1 4.44Å; F545-F547 HydrophobicContact CD1-CG 4.46Å; F545-F547 HydrophobicContact CE1-CB 3.96Å; F545-F547 AromaticContact CE1-CD1 3.92Å; F545-F547 HydrophobicContact CE1-CD1 3.92Å; F545-F547 HydrophobicContact CE1-CG 4.14Å; F545-F547 HydrophobicContact CZ-CB 4.28Å; F545-F547 WeakPolarHBondContact O-CD1 3.47Å; F545-Y556 CarbonylContact O-C 3.43Å; F545-Y556 VanDerWaalsContact O-CA 3.29Å; F545-Y556 WeakPolarHBondContact O-CA 3.32Å; F545-F557 HydrophobicContact CB-CB 4.31Å; F545-F557 PolarHBondContact N-O 2.83Å; F545-F557 PolarHBondContact O-N 3.02Å
546I95.9Very high92.6Very high1 Ų129.5 Ų29.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-96.5135.4-177.9-51.8169.4000108.3G538 R539 F541 L554 C555 L574 L584 L598G538-I546 CarbonylContact C-O 3.54Å; G538-I546 WeakPolarHBondContact CA-O 3.45Å; R539-I546 PolarHBondContact N-O 3.39Å; R539-I546 PolarHBondContact O-N 3.15Å; R539-I546 VanDerWaalsContact O-O 3.09Å; F541-I546 HydrophobicContact CB-CD1 4.01Å; F541-I546 HydrophobicContact CD2-CD1 4.48Å; I546-L554 HydrophobicContact CG2-CD1 4.03Å; I546-C555 WeakPolarHBondContact CA-O 3.48Å; I546-C555 WeakPolarHBondContact CG2-O 3.48Å; I546-L574 HydrophobicContact CB-CD2 3.98Å; I546-L574 HydrophobicContact CG2-CD1 4.12Å; I546-L574 HydrophobicContact CG2-CD2 3.93Å; I546-L574 WeakPolarHBondContact O-CD2 3.29Å; I546-L584 HydrophobicContact CD1-CD1 4.39Å; I546-L584 HydrophobicContact CD1-CD2 3.57Å; I546-L584 HydrophobicContact CD1-CG 4.5Å; I546-L584 HydrophobicContact CG2-CD1 3.88Å; I546-L584 HydrophobicContact CG2-CD2 4.17Å; I546-L598 HydrophobicContact CD1-CD2 3.62Å; I546-L598 HydrophobicContact CG1-CD2 4.39Å
547F96.6Very high92.7Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-151.7155.6-175.562.7-83.8000112.8F491 V535 N537 F545 T549 C555 F557 V562F491-F547 HydrophobicContact CE1-CE1 4.07Å; F491-F547 HydrophobicContact CE1-CE2 4.3Å; F491-F547 AromaticContact CE1-CZ 3.79Å; F491-F547 HydrophobicContact CE1-CZ 3.79Å; F491-F547 HydrophobicContact CZ-CE1 4.04Å; F491-F547 HydrophobicContact CZ-CZ 4.16Å; V535-F547 HydrophobicContact CB-CD2 4.49Å; V535-F547 HydrophobicContact CG1-CB 3.97Å; V535-F547 HydrophobicContact CG1-CD2 4.49Å; V535-F547 HydrophobicContact CG2-CD2 3.82Å; V535-F547 HydrophobicContact CG2-CE2 4.21Å; V535-F547 HydrophobicContact CG2-CG 4.2Å; N537-F547 CarbonylContact O-C 3.54Å; N537-F547 WeakPolarHBondContact O-CA 3.37Å; N537-F547 VanDerWaalsContact O-CB 3.25Å; N537-F547 WeakPolarHBondContact O-CB 3.44Å; F545-F547 AromaticContact CD1-CD1 3.78Å; F545-F547 HydrophobicContact CD1-CD1 3.78Å; F545-F547 HydrophobicContact CD1-CE1 4.44Å; F545-F547 HydrophobicContact CD1-CG 4.46Å; F545-F547 HydrophobicContact CE1-CB 3.96Å; F545-F547 AromaticContact CE1-CD1 3.92Å; F545-F547 HydrophobicContact CE1-CD1 3.92Å; F545-F547 HydrophobicContact CE1-CG 4.14Å; F545-F547 HydrophobicContact CZ-CB 4.28Å; F545-F547 WeakPolarHBondContact O-CD1 3.47Å; F547-T549 HydrophobicContact CD2-CG2 4.04Å; F547-T549 HydrophobicContact CE2-CG2 3.77Å; F547-C555 HydrophobicContact CD1-CB 4.38Å; F547-C555 HydrophobicContact CD2-CB 4.23Å; F547-C555 HydrophobicContact CE1-CB 3.9Å; F547-C555 HydrophobicContact CE2-CB 3.74Å; F547-C555 HydrophobicContact CZ-CB 3.56Å; F547-C555 PolarHBondContact N-O 2.8Å; F547-C555 PolarHBondContact O-N 3.33Å; F547-C555 VanDerWaalsContact O-O 3.06Å; F547-F557 HydrophobicContact CE1-CB 4.19Å; F547-V562 HydrophobicContact CE1-CG1 4.34Å; F547-V562 HydrophobicContact CZ-CG1 3.78Å; F547-V562 HydrophobicContact CZ-CG2 4.39Å
548T96.3Very high92.5Very high1 Ų127.3 Ų27.31%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-99.8151.8165.461.50000110.4L536 N537 R553 L554 L568 M572 L586L536-T548 PolarHBondContact N-O 2.96Å; N537-T548 PolarHBondContact O-N 3.19Å; N537-T548 PolarHBondContact OD1-OG1 3.16Å; N537-T548 VanDerWaalsContact OD1-OG1 3.08Å; T548-R553 CarbonylContact C-O 3.45Å; T548-R553 WeakPolarHBondContact CA-O 3.45Å; T548-L554 HydrophobicContact CG2-CD1 4.09Å; T548-L568 HydrophobicContact CG2-CD1 4.07Å; T548-M572 WeakPolarHBondContact CB-O 3.3Å; T548-M572 WeakPolarHBondContact CG2-O 3.43Å; T548-M572 PolarHBondContact OG1-O 2.73Å; T548-M572 VanDerWaalsContact OG1-O 3.04Å; T548-L586 HydrophobicContact CG2-CD2 3.56Å
549T94.2Very high91.7Very high12 Ų1229.3 Ų29.37%0.07417%0.166CC..EExtended strand (participates in β ladder)trans-105.3161.3178.471.50000111.8Q534 F547 G551 N552 R553Q534-T549 VanDerWaalsContact O-CA 3.25Å; Q534-T549 WeakPolarHBondContact O-CA 3.3Å; F547-T549 HydrophobicContact CD2-CG2 4.04Å; F547-T549 HydrophobicContact CE2-CG2 3.77Å; T549-G551 PolarHBondContact O-N 3.1Å; T549-G551 PolarHBondContact OG1-N 2.96Å; T549-N552 PolarHBondContact O-N 3.36Å; T549-N552 VanDerWaalsContact O-N 3.15Å; T549-R553 HydrophobicContact CG2-CB 4.21Å; T549-R553 PolarHBondContact N-O 3.29Å; T549-R553 WeakPolarHBondContact OG1-CB 3.16Å; T549-R553 PolarHBondContact OG1-N 2.8Å
550Q86Confident91.2Very high107 Ų10726 Ų2650%0.516%0.158SC..THydrogen-bonded Turntrans-63.1-22.4170.7-71-169.4-15.800113.4Q534 N552Q534-Q550 HydrophobicContact CB-CB 4.27Å; Q534-Q550 HydrophobicContact CB-CG 4.26Å; Q534-Q550 PolarHBondContact O-N 2.83Å; Q534-Q550 VanDerWaalsContact O-N 3.1Å; Q550-N552 PolarHBondContact O-N 2.75Å
551G88.3Confident90.7Very high50 Ų5028.4 Ų28.452%0.51517%0.17SC..THydrogen-bonded Turntrans-86.624.6173.300000113.6T549 R553T549-G551 PolarHBondContact O-N 3.1Å; T549-G551 PolarHBondContact OG1-N 2.96Å; G551-R553 PolarHBondContact O-N 3.4Å
552N90.8Very high90.9Very high38 Ų3829.6 Ų29.620%0.20318%0.18CC..SBendtrans53.447.9178.3-62.7-16000113T549 Q550 L568 P571T549-N552 PolarHBondContact O-N 3.36Å; T549-N552 VanDerWaalsContact O-N 3.15Å; Q550-N552 PolarHBondContact O-N 2.75Å; N552-L568 HydrophobicContact CB-CB 4.04Å; N552-L568 VanDerWaalsContact CB-O 3.3Å; N552-L568 WeakPolarHBondContact CB-O 3.49Å; N552-L568 WeakPolarHBondContact O-CA 3.08Å; N552-L568 VanDerWaalsContact O-CB 3.32Å; N552-L568 WeakPolarHBondContact O-CB 3.46Å; N552-L568 PolarHBondContact O-N 3.23Å; N552-P571 WeakPolarHBondContact OD1-CA 3.43Å
553R95Very high91Very high127 Ų12730 Ų3048%0.47917%0.174SC..EExtended strand (participates in β ladder)trans-114.5140.5172.2-50.3-170.8-178.5-173.8-1.4110.4T548 T549 G551 T564 L567T548-R553 CarbonylContact C-O 3.45Å; T548-R553 WeakPolarHBondContact CA-O 3.45Å; T549-R553 HydrophobicContact CG2-CB 4.21Å; T549-R553 PolarHBondContact N-O 3.29Å; T549-R553 WeakPolarHBondContact OG1-CB 3.16Å; T549-R553 PolarHBondContact OG1-N 2.8Å; G551-R553 PolarHBondContact O-N 3.4Å; R553-T564 HydrophobicContact CB-CG2 4.46Å; R553-L567 HydrophobicContact CG-CD1 3.92Å
554L96.4Very high91.2Very high0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-95.5119.7166.917759.7000108.6I546 T548 L565 A566 L568 L574 L584 L586 Y596I546-L554 HydrophobicContact CG2-CD1 4.03Å; T548-L554 HydrophobicContact CG2-CD1 4.09Å; L554-L565 HydrophobicContact CD2-CB 4.24Å; L554-L565 HydrophobicContact CD2-CD1 4.34Å; L554-L565 HydrophobicContact CG-CB 4.08Å; L554-L565 HydrophobicContact CG-CD1 4.18Å; L554-L565 PolarHBondContact O-N 3.04Å; L554-A566 HydrophobicContact CB-CB 4.38Å; L554-A566 PolarHBondContact N-O 2.85Å; L554-A566 PolarHBondContact O-N 3.39Å; L554-L568 HydrophobicContact CB-CD1 4.38Å; L554-L568 HydrophobicContact CB-CD2 4.36Å; L554-L568 HydrophobicContact CB-CG 4.44Å; L554-L574 HydrophobicContact CD1-CD1 4.26Å; L554-L584 HydrophobicContact CD1-CD1 4.39Å; L554-L584 HydrophobicContact CD2-CD1 4.07Å; L554-L586 HydrophobicContact CD1-CD2 4.3Å; L554-L586 HydrophobicContact CD2-CD1 4.16Å; L554-Y596 HydrophobicContact CD2-CD1 4.49Å; L554-Y596 HydrophobicContact CD2-CD2 3.73Å; L554-Y596 HydrophobicContact CD2-CE2 4.34Å; L554-Y596 HydrophobicContact CD2-CG 3.81Å
555C95.7Very high91.2Very high4 Ų434.1 Ų34.13%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-130.9161.1-175.3-59.10000111I546 F547 V562 V563I546-C555 WeakPolarHBondContact CA-O 3.48Å; I546-C555 WeakPolarHBondContact CG2-O 3.48Å; F547-C555 HydrophobicContact CD1-CB 4.38Å; F547-C555 HydrophobicContact CD2-CB 4.23Å; F547-C555 HydrophobicContact CE1-CB 3.9Å; F547-C555 HydrophobicContact CE2-CB 3.74Å; F547-C555 HydrophobicContact CZ-CB 3.56Å; F547-C555 PolarHBondContact N-O 2.8Å; F547-C555 PolarHBondContact O-N 3.33Å; F547-C555 VanDerWaalsContact O-O 3.06Å; C555-V562 HydrophobicContact CB-CG1 3.98Å; C555-V563 CarbonylContact C-O 3.54Å; C555-V563 WeakPolarHBondContact CA-O 3.47Å; C555-V563 WeakPolarHBondContact CB-O 3.08Å
556Y94.3Very high91.1Very high13 Ų1334.9 Ų34.95%0.05121%0.205CC..EExtended strand (participates in β ladder)trans-133.5149.8162.766.4-93000110.9F545 V558 V562 V563 L565 L598 L603 E606F545-Y556 CarbonylContact O-C 3.43Å; F545-Y556 VanDerWaalsContact O-CA 3.29Å; F545-Y556 WeakPolarHBondContact O-CA 3.32Å; Y556-V558 HydrophobicContact CD2-CB 4.24Å; Y556-V558 HydrophobicContact CD2-CG2 3.76Å; Y556-V558 HydrophobicContact CE2-CB 4.34Å; Y556-V558 HydrophobicContact CE2-CG2 4.14Å; Y556-V562 WeakPolarHBondContact O-CA 3.47Å; Y556-V563 HydrophobicContact CD1-CB 4.21Å; Y556-V563 HydrophobicContact CD2-CB 4.32Å; Y556-V563 HydrophobicContact CE1-CB 3.66Å; Y556-V563 HydrophobicContact CE1-CG1 3.75Å; Y556-V563 HydrophobicContact CE2-CB 3.77Å; Y556-V563 HydrophobicContact CE2-CG2 3.82Å; Y556-V563 VanDerWaalsContact CZ-CB 3.41Å; Y556-V563 PolarHBondContact N-O 2.82Å; Y556-V563 PolarHBondContact O-N 2.99Å; Y556-V563 WeakPolarHBondContact OH-CG1 3.24Å; Y556-L565 HydrophobicContact CD1-CD1 3.58Å; Y556-L565 HydrophobicContact CD1-CD2 4.16Å; Y556-L565 HydrophobicContact CD1-CG 3.62Å; Y556-L565 HydrophobicContact CE1-CD1 4.15Å; Y556-L565 HydrophobicContact CE1-CD2 3.84Å; Y556-L565 HydrophobicContact CE1-CG 3.76Å; Y556-L598 HydrophobicContact CE1-CD1 4.48Å; Y556-L603 HydrophobicContact CD2-CD2 3.84Å; Y556-L603 HydrophobicContact CE2-CD2 3.81Å; Y556-L603 HydrophobicContact CG-CD2 4.25Å; Y556-E606 WeakPolarHBondContact CE2-OE2 3.11Å; Y556-E606 PolarHBondContact OH-OE1 3.27Å; Y556-E606 PolarHBondContact OH-OE2 3.11Å
557F93.2Very high91Very high4 Ų440.9 Ų40.92%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-108.4124.6173.3171.6-86.1000109.5F491 I493 N528 V531 A544 F545 F547 G560 E561 V562F491-F557 HydrophobicContact CE2-CB 4.28Å; F491-F557 HydrophobicContact CE2-CD2 4.13Å; F491-F557 HydrophobicContact CE2-CG 4.12Å; F491-F557 HydrophobicContact CZ-CB 4.03Å; F491-F557 HydrophobicContact CZ-CD2 4.04Å; F491-F557 HydrophobicContact CZ-CG 4.17Å; I493-F557 HydrophobicContact CB-CE1 4.16Å; I493-F557 HydrophobicContact CB-CZ 4.46Å; I493-F557 HydrophobicContact CD1-CD1 4.22Å; I493-F557 HydrophobicContact CD1-CE1 4.4Å; I493-F557 HydrophobicContact CG1-CD1 3.85Å; I493-F557 HydrophobicContact CG1-CE1 3.59Å; I493-F557 HydrophobicContact CG1-CG 4.48Å; I493-F557 HydrophobicContact CG1-CZ 3.97Å; I493-F557 HydrophobicContact CG2-CE1 4.19Å; N528-F557 WeakPolarHBondContact O-CE2 3.2Å; V531-F557 HydrophobicContact CG2-CD2 3.85Å; V531-F557 HydrophobicContact CG2-CE2 3.68Å; A544-F557 WeakPolarHBondContact CA-O 3.42Å; F545-F557 HydrophobicContact CB-CB 4.31Å; F545-F557 PolarHBondContact N-O 2.83Å; F545-F557 PolarHBondContact O-N 3.02Å; F547-F557 HydrophobicContact CE1-CB 4.19Å; F557-G560 VanDerWaalsContact CE2-CA 3.4Å; F557-G560 VanDerWaalsContact CZ-CA 3.46Å; F557-E561 VanDerWaalsContact CA-O 3.24Å; F557-E561 WeakPolarHBondContact CA-O 3.3Å; F557-E561 WeakPolarHBondContact CD2-O 3.39Å; F557-V562 HydrophobicContact CD2-CG2 4.05Å
558V88.4Confident90.8Very high5 Ų541.4 Ų41.43%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-139.3123175.7165.20000108.4A544 Y556 G560 E561 L603 E606 L610A544-V558 HydrophobicContact CB-CG2 3.34Å; Y556-V558 HydrophobicContact CD2-CB 4.24Å; Y556-V558 HydrophobicContact CD2-CG2 3.76Å; Y556-V558 HydrophobicContact CE2-CB 4.34Å; Y556-V558 HydrophobicContact CE2-CG2 4.14Å; V558-G560 VanDerWaalsContact C-N 3.27Å; V558-G560 PolarHBondContact O-N 3Å; V558-G560 VanDerWaalsContact O-N 3.08Å; V558-E561 PolarHBondContact N-O 2.84Å; V558-E561 PolarHBondContact O-N 2.91Å; V558-E561 VanDerWaalsContact O-N 3.1Å; V558-L603 HydrophobicContact CG2-CD2 4.08Å; V558-E606 HydrophobicContact CG1-CB 4.11Å; V558-L610 HydrophobicContact CG1-CD1 3.58Å; V558-L610 VanDerWaalsContact O-CD1 3.3Å; V558-L610 WeakPolarHBondContact O-CD1 3.36Å
559G78.8Confident90.2Very high44 Ų4447.1 Ų47.145%0.45427%0.27SS..THydrogen-bonded Turntrans49.235.9174.100000116.9L610G559-L610 VanDerWaalsContact CA-CD1 3.48Å
560G82.4Confident89.5Confident15 Ų1550.2 Ų50.216%0.15528%0.28CS..THydrogen-bonded Turntrans102.5-9.3175.600000114.9F557 V558F557-G560 VanDerWaalsContact CE2-CA 3.4Å; F557-G560 VanDerWaalsContact CZ-CA 3.46Å; V558-G560 VanDerWaalsContact C-N 3.27Å; V558-G560 PolarHBondContact O-N 3Å; V558-G560 VanDerWaalsContact O-N 3.08Å
561E84.1Confident89.5Confident64 Ų6448.3 Ų48.330%0.29928%0.277SS..EExtended strand (participates in β ladder)trans-107.9147.7175.3-73.4-152167.700112.1F557 V558 Q639F557-E561 VanDerWaalsContact CA-O 3.24Å; F557-E561 WeakPolarHBondContact CA-O 3.3Å; F557-E561 WeakPolarHBondContact CD2-O 3.39Å; V558-E561 PolarHBondContact N-O 2.84Å; V558-E561 PolarHBondContact O-N 2.91Å; V558-E561 VanDerWaalsContact O-N 3.1Å; E561-Q639 PolarHBondContact OE1-NE2 3.02Å; E561-Q639 PolarHBondContact OE2-NE2 3.21Å
562V91.1Very high89.6Confident57 Ų5746 Ų4635%0.34525%0.253SS..EExtended strand (participates in β ladder)trans-106.5122.2168.7178.80000108.9F491 V531 F547 C555 Y556 F557F491-V562 HydrophobicContact CZ-CG2 4.32Å; V531-V562 HydrophobicContact CG1-CG2 3.55Å; V531-V562 HydrophobicContact CG2-CG2 4.37Å; F547-V562 HydrophobicContact CE1-CG1 4.34Å; F547-V562 HydrophobicContact CZ-CG1 3.78Å; F547-V562 HydrophobicContact CZ-CG2 4.39Å; C555-V562 HydrophobicContact CB-CG1 3.98Å; Y556-V562 WeakPolarHBondContact O-CA 3.47Å; F557-V562 HydrophobicContact CD2-CG2 4.05Å
563V89.4Confident89.7Confident43 Ų4345.1 Ų45.126%0.26125%0.247SC..EExtended strand (participates in β ladder)trans-109.2134.5174.8-177.40000109C555 Y556C555-V563 CarbonylContact C-O 3.54Å; C555-V563 WeakPolarHBondContact CA-O 3.47Å; C555-V563 WeakPolarHBondContact CB-O 3.08Å; Y556-V563 HydrophobicContact CD1-CB 4.21Å; Y556-V563 HydrophobicContact CD2-CB 4.32Å; Y556-V563 HydrophobicContact CE1-CB 3.66Å; Y556-V563 HydrophobicContact CE1-CG1 3.75Å; Y556-V563 HydrophobicContact CE2-CB 3.77Å; Y556-V563 HydrophobicContact CE2-CG2 3.82Å; Y556-V563 VanDerWaalsContact CZ-CB 3.41Å; Y556-V563 PolarHBondContact N-O 2.82Å; Y556-V563 PolarHBondContact O-N 2.99Å; Y556-V563 WeakPolarHBondContact OH-CG1 3.24Å
564T92.3Very high89.7Confident72 Ų7239.2 Ų39.244%0.44223%0.225SC..EExtended strand (participates in β ladder)trans-89.4122.7173.3-590000109.2R553R553-T564 HydrophobicContact CB-CG2 4.46Å
565L91.3Very high89.5Confident60 Ų6039.5 Ų39.531%0.31423%0.226SC..EExtended strand (participates in β ladder)trans-84.4-46.4175.8-80.1164.3000111.9L554 Y556 L584 L598L554-L565 HydrophobicContact CD2-CB 4.24Å; L554-L565 HydrophobicContact CD2-CD1 4.34Å; L554-L565 HydrophobicContact CG-CB 4.08Å; L554-L565 HydrophobicContact CG-CD1 4.18Å; L554-L565 PolarHBondContact O-N 3.04Å; Y556-L565 HydrophobicContact CD1-CD1 3.58Å; Y556-L565 HydrophobicContact CD1-CD2 4.16Å; Y556-L565 HydrophobicContact CD1-CG 3.62Å; Y556-L565 HydrophobicContact CE1-CD1 4.15Å; Y556-L565 HydrophobicContact CE1-CD2 3.84Å; Y556-L565 HydrophobicContact CE1-CG 3.76Å; L565-L584 HydrophobicContact CD1-CD1 3.87Å; L565-L598 HydrophobicContact CD1-CD1 4.18Å; L565-L598 HydrophobicContact CD1-CD2 4.02Å; L565-L598 HydrophobicContact CD2-CD1 3.92Å
566A93.8Very high89.4Confident15 Ų1539.4 Ų39.412%0.12423%0.226CC..EExtended strand (participates in β ladder)trans-154.7153.5-175.400000112.3L554 Y596L554-A566 HydrophobicContact CB-CB 4.38Å; L554-A566 PolarHBondContact N-O 2.85Å; L554-A566 PolarHBondContact O-N 3.39Å; A566-Y596 HydrophobicContact CB-CD1 3.75Å; A566-Y596 HydrophobicContact CB-CE1 3.27Å
567L94Very high89.2Confident127 Ų12739 Ų3967%0.66522%0.224SC*.EExtended strand (participates in β ladder)trans-90.3133.8162.6-144.884.6000108.3R553R553-L567 HydrophobicContact CG-CD1 3.92Å
568L90.9Very high89.1Confident11 Ų1138.9 Ų38.96%0.05822%0.224CC..  trans-102.6144.9-179.9-51.5166.5000108.8T548 N552 L554 M572 L586 Y596T548-L568 HydrophobicContact CG2-CD1 4.07Å; N552-L568 HydrophobicContact CB-CB 4.04Å; N552-L568 VanDerWaalsContact CB-O 3.3Å; N552-L568 WeakPolarHBondContact CB-O 3.49Å; N552-L568 WeakPolarHBondContact O-CA 3.08Å; N552-L568 VanDerWaalsContact O-CB 3.32Å; N552-L568 WeakPolarHBondContact O-CB 3.46Å; N552-L568 PolarHBondContact O-N 3.23Å; L554-L568 HydrophobicContact CB-CD1 4.38Å; L554-L568 HydrophobicContact CB-CD2 4.36Å; L554-L568 HydrophobicContact CB-CG 4.44Å; L568-M572 HydrophobicContact CD1-CB 4.09Å; L568-M572 HydrophobicContact CD1-CG 4.44Å; L568-L586 HydrophobicContact CD1-CD2 4.3Å; L568-Y596 HydrophobicContact CD2-CE2 3.69Å; L568-Y596 WeakPolarHBondContact CD2-OH 3.41Å
569D83.2Confident89Confident121 Ų12141.1 Ų41.165%0.64724%0.242SC*.SBendtrans-78.5-27.6178.560.6-26.2000112.7
570R81.4Confident89.3Confident77 Ų7746.9 Ų46.929%0.29126%0.255SS..SBendtrans-140.8169.1179.262.3179.6161.6-79.7-12.9112M572 D588R570-M572 HydrophobicContact CG-CG 4.29Å; R570-M572 HydrophobicContact CG-SD 3.81Å; R570-M572 PolarHBondContact O-N 3.42Å; R570-M572 VanDerWaalsContact O-N 3.1Å; R570-D588 WeakPolarHBondContact CD-OD2 3.37Å; R570-D588 IonicContact CZ-OD2 3.19Å; R570-D588 IonicContact NE-OD2 2.65Å; R570-D588 PolarHBondContact NE-OD2 2.79Å
571P84.6Confident89.5Confident67 Ų6748.5 Ų48.544%0.43526%0.259SS..  trans-64.5112.1175.1-18.531.7000110.4L536 N552L536-P571 HydrophobicContact CD2-CB 4.43Å; N552-P571 WeakPolarHBondContact OD1-CA 3.43Å
572M89.9Confident89.7Confident2 Ų247.8 Ų47.81%0.0126%0.257CS..  trans-115.6145.1177-57.8-66.6-79.900110.4T548 L568 R570 L586 D588 V594T548-M572 WeakPolarHBondContact CB-O 3.3Å; T548-M572 WeakPolarHBondContact CG2-O 3.43Å; T548-M572 PolarHBondContact OG1-O 2.73Å; T548-M572 VanDerWaalsContact OG1-O 3.04Å; L568-M572 HydrophobicContact CD1-CB 4.09Å; L568-M572 HydrophobicContact CD1-CG 4.44Å; R570-M572 HydrophobicContact CG-CG 4.29Å; R570-M572 HydrophobicContact CG-SD 3.81Å; R570-M572 PolarHBondContact O-N 3.42Å; R570-M572 VanDerWaalsContact O-N 3.1Å; M572-L586 HydrophobicContact CB-CB 3.98Å; M572-L586 HydrophobicContact CB-CD2 3.78Å; M572-L586 HydrophobicContact CE-CB 4.32Å; M572-D588 HydrophobicContact CE-CB 4.47Å; M572-D588 HydrophobicContact SD-CB 3.65Å; M572-V594 HydrophobicContact CE-CB 4.15Å; M572-V594 HydrophobicContact CE-CG1 3.88Å; M572-V594 HydrophobicContact CE-CG2 3.31Å
573Y93.3Very high89.6Confident19 Ų1945.8 Ų45.88%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-110.4126.7-178.7-65.3-98.8000109.8D302 E303 P304 L536 N537 L575 L586 G587D302-Y573 VanDerWaalsContact C-OH 3.3Å; D302-Y573 WeakPolarHBondContact O-CE2 3.48Å; D302-Y573 PolarHBondContact O-OH 2.92Å; E303-Y573 VanDerWaalsContact CA-CZ 3.49Å; E303-Y573 WeakPolarHBondContact CA-OH 3.37Å; E303-Y573 HydrophobicContact CB-CD1 4.46Å; E303-Y573 HydrophobicContact CB-CE1 3.76Å; E303-Y573 HydrophobicContact CG-CD1 3.85Å; E303-Y573 HydrophobicContact CG-CE1 3.62Å; E303-Y573 PolarHBondContact N-OH 2.86Å; P304-Y573 HydrophobicContact CG-CD2 3.77Å; P304-Y573 HydrophobicContact CG-CE2 4.42Å; P304-Y573 HydrophobicContact CG-CG 4.01Å; L536-Y573 HydrophobicContact CD1-CE1 4.01Å; L536-Y573 HydrophobicContact CD2-CD1 4.46Å; L536-Y573 HydrophobicContact CD2-CE1 4Å; L536-Y573 HydrophobicContact CD2-CE2 4.42Å; L536-Y573 HydrophobicContact CG-CD1 4.38Å; L536-Y573 HydrophobicContact CG-CE1 3.83Å; N537-Y573 HydrophobicContact CB-CD1 4.02Å; Y573-L575 PolarHBondContact O-N 3.31Å; Y573-L586 CarbonylContact O-C 3.41Å; Y573-L586 VanDerWaalsContact O-CA 3.24Å; Y573-L586 WeakPolarHBondContact O-CA 3.28Å; Y573-G587 WeakPolarHBondContact CB-O 3.31Å; Y573-G587 PolarHBondContact N-O 2.95Å; Y573-G587 PolarHBondContact O-N 3.27Å
574L94.6Very high89.8Confident4 Ų443.7 Ų43.72%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-63.3119175.7-165.277.4000111.1N537 R539 I546 L554 L584 L586N537-L574 VanDerWaalsContact CG-N 3.31Å; N537-L574 PolarHBondContact ND2-N 3.29Å; N537-L574 PolarHBondContact ND2-O 3.39Å; N537-L574 VanDerWaalsContact OD1-CB 3.28Å; N537-L574 WeakPolarHBondContact OD1-CB 3.27Å; N537-L574 PolarHBondContact OD1-N 3.17Å; R539-L574 HydrophobicContact CB-CD2 3.75Å; R539-L574 HydrophobicContact CG-CD2 4.19Å; I546-L574 HydrophobicContact CB-CD2 3.98Å; I546-L574 HydrophobicContact CG2-CD1 4.12Å; I546-L574 HydrophobicContact CG2-CD2 3.93Å; I546-L574 WeakPolarHBondContact O-CD2 3.29Å; L554-L574 HydrophobicContact CD1-CD1 4.26Å; L574-L584 HydrophobicContact CD1-CB 4.49Å; L574-L584 HydrophobicContact CD1-CD2 4.02Å; L574-L586 HydrophobicContact CD1-CG 4.17Å
575L93.8Very high90Very high5 Ų540.3 Ų40.33%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-95.5-28.2-179.5-55.9-176.2000112.8M306 M308 L314 R539 Y573 I585 I593M306-L575 HydrophobicContact CG-CD2 3.54Å; M306-L575 HydrophobicContact SD-CD1 3.69Å; M306-L575 HydrophobicContact SD-CD2 3.35Å; M306-L575 WeakPolarHBondContact SD-CD2 3.38Å; M306-L575 HydrophobicContact SD-CG 4.1Å; M308-L575 HydrophobicContact CB-CB 4.09Å; L314-L575 HydrophobicContact CD1-CD1 3.77Å; R539-L575 PolarHBondContact NE-O 3.14Å; R539-L575 PolarHBondContact NH1-O 2.72Å; R539-L575 PolarHBondContact NH2-O 3.07Å; Y573-L575 PolarHBondContact O-N 3.31Å; L575-I585 HydrophobicContact CB-CG2 4.3Å; L575-I585 HydrophobicContact CD1-CG2 4.11Å; L575-I585 PolarHBondContact N-O 3.19Å; L575-I593 HydrophobicContact CD1-CD1 4.04Å
576G92Very high90.1Very high2 Ų237.4 Ų37.42%0.02120%0.195CC..EExtended strand (participates in β ladder)trans152.3-169.6176.800000111.4I585G576-I585 PolarHBondContact O-N 2.94Å
577Y91.4Very high90.1Very high6 Ų636.7 Ų36.72%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-131.2137.9-179.4172-99.7000109.9F541 A579 N582 R583 L584 L598 L600F541-Y577 AromaticContact CD1-CD1 3.28Å; F541-Y577 HydrophobicContact CD1-CD1 3.28Å; F541-Y577 AromaticContact CD1-CE1 3.92Å; F541-Y577 HydrophobicContact CD1-CE1 3.92Å; F541-Y577 AromaticContact CD1-CG 3.96Å; F541-Y577 HydrophobicContact CD1-CG 3.96Å; F541-Y577 VanDerWaalsContact CD2-CB 3.48Å; F541-Y577 HydrophobicContact CD2-CD1 4.32Å; F541-Y577 HydrophobicContact CD2-CG 4.19Å; F541-Y577 AromaticContact CE1-CD1 3.29Å; F541-Y577 HydrophobicContact CE1-CD1 3.29Å; F541-Y577 HydrophobicContact CE1-CE1 4.2Å; F541-Y577 HydrophobicContact CE1-CG 4Å; F541-Y577 HydrophobicContact CE2-CD1 4.36Å; F541-Y577 HydrophobicContact CE2-CG 4.25Å; F541-Y577 AromaticContact CG-CD1 3.85Å; F541-Y577 HydrophobicContact CG-CD1 3.85Å; F541-Y577 HydrophobicContact CG-CG 4.08Å; F541-Y577 VanDerWaalsContact CZ-CB 3.46Å; F541-Y577 AromaticContact CZ-CD1 3.87Å; F541-Y577 HydrophobicContact CZ-CD1 3.87Å; F541-Y577 HydrophobicContact CZ-CG 4.15Å; Y577-A579 HydrophobicContact CD1-CB 3.96Å; Y577-A579 HydrophobicContact CE1-CB 3.74Å; Y577-N582 WeakPolarHBondContact OH-CA 3.28Å; Y577-N582 PolarHBondContact OH-OD1 3.08Å; Y577-N582 VanDerWaalsContact OH-OD1 3.04Å; Y577-R583 WeakPolarHBondContact CA-O 3.32Å; Y577-R583 VanDerWaalsContact CD2-C 3.45Å; Y577-R583 VanDerWaalsContact CD2-O 3.31Å; Y577-R583 WeakPolarHBondContact CD2-O 3.39Å; Y577-L584 HydrophobicContact CD2-CD2 3.69Å; Y577-L584 HydrophobicContact CD2-CG 3.93Å; Y577-L584 HydrophobicContact CG-CD2 4.19Å; Y577-L598 HydrophobicContact CE2-CB 4.06Å; Y577-L598 WeakPolarHBondContact CE2-O 3.41Å; Y577-L598 PolarHBondContact OH-O 3.04Å; Y577-L600 HydrophobicContact CE1-CD1 4.19Å; Y577-L600 WeakPolarHBondContact OH-CB 3.4Å; Y577-L600 PolarHBondContact OH-N 2.94Å
578L90.4Very high89.7Confident1 Ų130.9 Ų30.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-97.793.4178.3-65.9-178.6000108.1M308 G312 L327 F332 K580 E581 N582 R583 I585M308-L578 HydrophobicContact CE-CD2 4.24Å; M308-L578 HydrophobicContact SD-CD2 4.38Å; G312-L578 VanDerWaalsContact CA-CD2 3.5Å; L327-L578 HydrophobicContact CB-CD1 4.37Å; F332-L578 HydrophobicContact CE2-CD1 4.11Å; F332-L578 HydrophobicContact CZ-CD1 4.27Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 3.05Å; L578-E581 HydrophobicContact CB-CB 4.16Å; L578-E581 WeakPolarHBondContact CB-OE2 3.38Å; L578-E581 CarbonylContact O-C 3.23Å; L578-E581 PolarHBondContact O-N 2.8Å; L578-E581 VanDerWaalsContact O-N 3.11Å; L578-N582 PolarHBondContact O-N 3.17Å; L578-R583 PolarHBondContact N-O 2.81Å; L578-R583 PolarHBondContact O-N 2.68Å; L578-I585 HydrophobicContact CD1-CD1 3.95Å; L578-I585 HydrophobicContact CD1-CG1 3.89Å; L578-I585 HydrophobicContact CG-CG1 3.99Å
579A85.9Confident89Confident51 Ų5135.2 Ų35.242%0.42117%0.174SC..THydrogen-bonded Turntrans-64.7-26.6-169.800000115Y577 E581Y577-A579 HydrophobicContact CD1-CB 3.96Å; Y577-A579 HydrophobicContact CE1-CB 3.74Å; A579-E581 VanDerWaalsContact C-N 3.35Å
580K85.1Confident88.7Confident166 Ų16633 Ų3372%0.72216%0.162SC*.THydrogen-bonded Turntrans-74.3-32.9175.9-70.9-175.9174.4-171.50111.7L578L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 3.05Å
581E86.8Confident88.9Confident48 Ų4829.9 Ų29.922%0.22415%0.151CC..THydrogen-bonded Turntrans-94.6-8.1-175.6-6078.4-175.700112.3R328 F332 L578 A579 R583R328-E581 IonicContact NE-OE1 3.83Å; F332-E581 HydrophobicContact CB-CB 4.17Å; F332-E581 HydrophobicContact CB-CG 4.28Å; F332-E581 HydrophobicContact CD2-CB 4.23Å; F332-E581 HydrophobicContact CD2-CG 3.87Å; F332-E581 HydrophobicContact CG-CB 4.27Å; F332-E581 HydrophobicContact CG-CG 4.33Å; L578-E581 HydrophobicContact CB-CB 4.16Å; L578-E581 WeakPolarHBondContact CB-OE2 3.38Å; L578-E581 CarbonylContact O-C 3.23Å; L578-E581 PolarHBondContact O-N 2.8Å; L578-E581 VanDerWaalsContact O-N 3.11Å; A579-E581 VanDerWaalsContact C-N 3.35Å; E581-R583 VanDerWaalsContact C-N 3.28Å; E581-R583 HydrophobicContact CB-CB 4.45Å; E581-R583 HydrophobicContact CB-CG 4.27Å; E581-R583 WeakPolarHBondContact O-CG 3.49Å; E581-R583 PolarHBondContact O-N 3.04Å
582N88.1Confident89Confident49 Ų4928.2 Ų28.226%0.26214%0.137SC..THydrogen-bonded Turntrans53.840-174.1-66.6-60.7000113.3Y577 L578 L598 L600Y577-N582 WeakPolarHBondContact OH-CA 3.28Å; Y577-N582 PolarHBondContact OH-OD1 3.08Å; Y577-N582 VanDerWaalsContact OH-OD1 3.04Å; L578-N582 PolarHBondContact O-N 3.17Å; N582-L598 CarbonylContact C-O 3.51Å; N582-L598 WeakPolarHBondContact CB-O 3.5Å; N582-L598 PolarHBondContact O-N 3.08Å; N582-L600 PolarHBondContact OD1-N 2.83Å
583R90.4Very high89.1Confident15 Ų1528.2 Ų28.26%0.05714%0.137CC..EExtended strand (participates in β ladder)trans-122.3126.4-173.6-70.9-93.8-178164.9-2.4111.8F332 I340 D342 Y577 L578 E581 I585 S595 Y596F332-R583 HydrophobicContact CD1-CG 3.81Å; F332-R583 HydrophobicContact CE1-CG 4.27Å; F332-R583 HydrophobicContact CG-CG 4.34Å; I340-R583 VanDerWaalsContact O-CZ 3.3Å; I340-R583 PolarHBondContact O-NH1 2.9Å; I340-R583 PolarHBondContact O-NH2 3.02Å; D342-R583 IonicContact OD1-NH1 3.18Å; Y577-R583 WeakPolarHBondContact CA-O 3.32Å; Y577-R583 VanDerWaalsContact CD2-C 3.45Å; Y577-R583 VanDerWaalsContact CD2-O 3.31Å; Y577-R583 WeakPolarHBondContact CD2-O 3.39Å; L578-R583 PolarHBondContact N-O 2.81Å; L578-R583 PolarHBondContact O-N 2.68Å; E581-R583 VanDerWaalsContact C-N 3.28Å; E581-R583 HydrophobicContact CB-CB 4.45Å; E581-R583 HydrophobicContact CB-CG 4.27Å; E581-R583 WeakPolarHBondContact O-CG 3.49Å; E581-R583 PolarHBondContact O-N 3.04Å; R583-I585 HydrophobicContact CB-CD1 4.44Å; R583-S595 PolarHBondContact NH1-OG 3.22Å; R583-Y596 CarbonylContact C-O 3.54Å; R583-Y596 WeakPolarHBondContact CA-O 3.48Å
584L93.7Very high89.1Confident0 Ų027.5 Ų27.50%014%0.135CC..EExtended strand (participates in β ladder)trans-77.2138.9162.2-71.5171.4000109.5I546 L554 L565 L574 Y577 S595 Y596 L598I546-L584 HydrophobicContact CD1-CD1 4.39Å; I546-L584 HydrophobicContact CD1-CD2 3.57Å; I546-L584 HydrophobicContact CD1-CG 4.5Å; I546-L584 HydrophobicContact CG2-CD1 3.88Å; I546-L584 HydrophobicContact CG2-CD2 4.17Å; L554-L584 HydrophobicContact CD1-CD1 4.39Å; L554-L584 HydrophobicContact CD2-CD1 4.07Å; L565-L584 HydrophobicContact CD1-CD1 3.87Å; L574-L584 HydrophobicContact CD1-CB 4.49Å; L574-L584 HydrophobicContact CD1-CD2 4.02Å; Y577-L584 HydrophobicContact CD2-CD2 3.69Å; Y577-L584 HydrophobicContact CD2-CG 3.93Å; Y577-L584 HydrophobicContact CG-CD2 4.19Å; L584-S595 CarbonylContact O-C 3.57Å; L584-S595 WeakPolarHBondContact O-CA 3.24Å; L584-S595 WeakPolarHBondContact O-CB 3.21Å; L584-Y596 PolarHBondContact N-O 2.86Å; L584-Y596 PolarHBondContact O-N 3.29Å; L584-L598 HydrophobicContact CD1-CB 4.12Å; L584-L598 HydrophobicContact CD1-CD2 3.55Å; L584-L598 HydrophobicContact CD2-CD2 4.27Å; L584-L598 HydrophobicContact CG-CB 4.14Å; L584-L598 HydrophobicContact CG-CD2 3.93Å
585I94.7Very high89.1Confident0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-115.6128.6177.3-55.1-59.1000108.5M308 L327 F332 L346 L575 G576 L578 R583 I593M308-I585 HydrophobicContact CE-CB 4.18Å; M308-I585 HydrophobicContact CE-CG1 4.21Å; M308-I585 HydrophobicContact SD-CB 4.11Å; M308-I585 HydrophobicContact SD-CG1 4.09Å; M308-I585 HydrophobicContact SD-CG2 4.19Å; L327-I585 HydrophobicContact CD1-CB 4.49Å; L327-I585 HydrophobicContact CD1-CD1 4.47Å; L327-I585 HydrophobicContact CD1-CG1 4.18Å; L327-I585 HydrophobicContact CD1-CG2 3.67Å; F332-I585 HydrophobicContact CZ-CD1 4.35Å; L346-I585 HydrophobicContact CD1-CD1 4.18Å; L575-I585 HydrophobicContact CB-CG2 4.3Å; L575-I585 HydrophobicContact CD1-CG2 4.11Å; L575-I585 PolarHBondContact N-O 3.19Å; G576-I585 PolarHBondContact O-N 2.94Å; L578-I585 HydrophobicContact CD1-CD1 3.95Å; L578-I585 HydrophobicContact CD1-CG1 3.89Å; L578-I585 HydrophobicContact CG-CG1 3.99Å; R583-I585 HydrophobicContact CB-CD1 4.44Å; I585-I593 HydrophobicContact CG2-CG2 3.47Å; I585-I593 VanDerWaalsContact CG2-CG2 3.47Å
586L95.2Very high89.1Confident0 Ų028.3 Ų28.30%014%0.138CC..EExtended strand (participates in β ladder)trans-122.2151.2172.8-56.989.9000110.2T548 L554 L568 M572 Y573 L574 I593 V594 Y596T548-L586 HydrophobicContact CG2-CD2 3.56Å; L554-L586 HydrophobicContact CD1-CD2 4.3Å; L554-L586 HydrophobicContact CD2-CD1 4.16Å; L568-L586 HydrophobicContact CD1-CD2 4.3Å; M572-L586 HydrophobicContact CB-CB 3.98Å; M572-L586 HydrophobicContact CB-CD2 3.78Å; M572-L586 HydrophobicContact CE-CB 4.32Å; Y573-L586 CarbonylContact O-C 3.41Å; Y573-L586 VanDerWaalsContact O-CA 3.24Å; Y573-L586 WeakPolarHBondContact O-CA 3.28Å; L574-L586 HydrophobicContact CD1-CG 4.17Å; L586-I593 WeakPolarHBondContact O-CA 3.47Å; L586-I593 WeakPolarHBondContact O-CG2 3.49Å; L586-V594 HydrophobicContact CB-CG2 3.85Å; L586-V594 HydrophobicContact CD1-CG2 4.28Å; L586-V594 PolarHBondContact N-O 3.15Å; L586-V594 PolarHBondContact O-N 2.85Å; L586-Y596 HydrophobicContact CD1-CD2 3.62Å; L586-Y596 HydrophobicContact CD1-CE2 4.13Å
587G92.1Very high89Confident0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-137.1154.1173.800000112.4Y573 Q592Y573-G587 WeakPolarHBondContact CB-O 3.31Å; Y573-G587 PolarHBondContact N-O 2.95Å; Y573-G587 PolarHBondContact O-N 3.27Å; G587-Q592 VanDerWaalsContact CA-O 3.27Å; G587-Q592 WeakPolarHBondContact CA-O 3.26Å
588D87Confident88.9Confident4 Ų430.9 Ų30.92%0.02115%0.153CC..  trans-110.1179.3169.561.525.4000112.1M306 R570 M572 D590 L591 Q592M306-D588 WeakPolarHBondContact CE-O 3.35Å; R570-D588 WeakPolarHBondContact CD-OD2 3.37Å; R570-D588 IonicContact CZ-OD2 3.19Å; R570-D588 IonicContact NE-OD2 2.65Å; R570-D588 PolarHBondContact NE-OD2 2.79Å; M572-D588 HydrophobicContact CE-CB 4.47Å; M572-D588 HydrophobicContact SD-CB 3.65Å; D588-D590 PolarHBondContact O-N 2.88Å; D588-D590 WeakPolarHBondContact OD1-CA 3.49Å; D588-D590 PolarHBondContact OD1-N 2.88Å; D588-L591 PolarHBondContact O-N 3.06Å; D588-L591 PolarHBondContact OD1-N 3.37Å; D588-Q592 PolarHBondContact N-O 3.29Å; D588-Q592 VanDerWaalsContact N-O 3.17Å; D588-Q592 VanDerWaalsContact OD1-CB 3.3Å; D588-Q592 WeakPolarHBondContact OD1-CB 3.2Å; D588-Q592 VanDerWaalsContact OD1-CG 3.24Å; D588-Q592 WeakPolarHBondContact OD1-CG 3.27Å; D588-Q592 PolarHBondContact OD1-N 3.34Å; D588-Q592 WeakPolarHBondContact OD2-CB 3.2Å; D588-Q592 WeakPolarHBondContact OD2-CG 3.41Å
589R76.3Confident88.8Confident102 Ų10232.4 Ų32.439%0.38516%0.161SC..THydrogen-bonded Turntrans-59.3-27.1175.570.6-178.5-171.4-165.6-2.9114.1D302 L591D302-R589 IonicContact OD1-NH1 2.91Å; D302-R589 PolarHBondContact OD1-NH1 3.08Å; R589-L591 PolarHBondContact O-N 3.33Å
590D76.5Confident88.7Confident75 Ų7532.3 Ų32.340%0.40115%0.154SC..THydrogen-bonded Turntrans-89.814.8-177.9-62.8-51.3000111.8D588 Q592D588-D590 PolarHBondContact O-N 2.88Å; D588-D590 WeakPolarHBondContact OD1-CA 3.49Å; D588-D590 PolarHBondContact OD1-N 2.88Å; D590-Q592 HydrophobicContact CB-CG 4.05Å; D590-Q592 PolarHBondContact O-N 3.35Å; D590-Q592 VanDerWaalsContact O-N 3.15Å; D590-Q592 PolarHBondContact O-NE2 2.74Å
591L84.4Confident88.9Confident11 Ų1125.4 Ų25.46%0.05813%0.126CC..  trans56.925.7-178.5-52.4176.5000112.5M306 C316 R318 V323 F350 D588 R589 I593M306-L591 HydrophobicContact CE-CD2 3.54Å; C316-L591 HydrophobicContact CB-CD2 3.48Å; C316-L591 VanDerWaalsContact CB-CD2 3.48Å; R318-L591 HydrophobicContact CB-CD1 4.18Å; V323-L591 HydrophobicContact CG2-CD1 4.19Å; F350-L591 HydrophobicContact CE2-CB 4.23Å; F350-L591 HydrophobicContact CZ-CB 3.95Å; D588-L591 PolarHBondContact O-N 3.06Å; D588-L591 PolarHBondContact OD1-N 3.37Å; R589-L591 PolarHBondContact O-N 3.33Å; L591-I593 PolarHBondContact O-N 2.79Å
592Q87.5Confident89Confident33 Ų3323.8 Ų23.815%0.15412%0.119CC..  trans-76.4121.5168.8-42.5-69.2-69.400107.2R345 G587 D588 D590R345-Q592 VanDerWaalsContact CZ-NE2 3.26Å; G587-Q592 VanDerWaalsContact CA-O 3.27Å; G587-Q592 WeakPolarHBondContact CA-O 3.26Å; D588-Q592 PolarHBondContact N-O 3.29Å; D588-Q592 VanDerWaalsContact N-O 3.17Å; D588-Q592 VanDerWaalsContact OD1-CB 3.3Å; D588-Q592 WeakPolarHBondContact OD1-CB 3.2Å; D588-Q592 VanDerWaalsContact OD1-CG 3.24Å; D588-Q592 WeakPolarHBondContact OD1-CG 3.27Å; D588-Q592 PolarHBondContact OD1-N 3.34Å; D588-Q592 WeakPolarHBondContact OD2-CB 3.2Å; D588-Q592 WeakPolarHBondContact OD2-CG 3.41Å; D590-Q592 HydrophobicContact CB-CG 4.05Å; D590-Q592 PolarHBondContact O-N 3.35Å; D590-Q592 VanDerWaalsContact O-N 3.15Å; D590-Q592 PolarHBondContact O-NE2 2.74Å
593I92.7Very high89Confident1 Ų121.7 Ų21.71%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-107.6131177.9-46.9-58.7000107.5M306 L314 L327 L346 V348 F350 L575 I585 L586 L591M306-I593 HydrophobicContact CE-CD1 4.4Å; L314-I593 HydrophobicContact CD2-CD1 3.85Å; L314-I593 HydrophobicContact CD2-CG1 4.19Å; L327-I593 HydrophobicContact CD1-CG2 4.5Å; L327-I593 HydrophobicContact CD2-CG2 4.41Å; L346-I593 HydrophobicContact CB-CB 4.42Å; L346-I593 WeakPolarHBondContact CB-O 3.37Å; L346-I593 HydrophobicContact CD1-CB 4.45Å; L346-I593 HydrophobicContact CD1-CG2 3.85Å; L346-I593 PolarHBondContact N-O 3.08Å; V348-I593 HydrophobicContact CG2-CB 3.91Å; V348-I593 HydrophobicContact CG2-CG1 3.94Å; F350-I593 HydrophobicContact CZ-CG1 4.34Å; L575-I593 HydrophobicContact CD1-CD1 4.04Å; I585-I593 HydrophobicContact CG2-CG2 3.47Å; I585-I593 VanDerWaalsContact CG2-CG2 3.47Å; L586-I593 WeakPolarHBondContact O-CA 3.47Å; L586-I593 WeakPolarHBondContact O-CG2 3.49Å; L591-I593 PolarHBondContact O-N 2.79Å
594V93.6Very high88.8Confident5 Ų525.4 Ų25.43%0.0313%0.126CC..EExtended strand (participates in β ladder)trans-123.1161.1173.8-62.10000109.7M572 L586 Y596M572-V594 HydrophobicContact CE-CB 4.15Å; M572-V594 HydrophobicContact CE-CG1 3.88Å; M572-V594 HydrophobicContact CE-CG2 3.31Å; L586-V594 HydrophobicContact CB-CG2 3.85Å; L586-V594 HydrophobicContact CD1-CG2 4.28Å; L586-V594 PolarHBondContact N-O 3.15Å; L586-V594 PolarHBondContact O-N 2.85Å; V594-Y596 HydrophobicContact CG2-CE2 4.16Å
595S93.1Very high88.7Confident0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-130.4149.8176.176.40000112.8G343 R583 L584G343-S595 PolarHBondContact N-O 3.06Å; R583-S595 PolarHBondContact NH1-OG 3.22Å; L584-S595 CarbonylContact O-C 3.57Å; L584-S595 WeakPolarHBondContact O-CA 3.24Å; L584-S595 WeakPolarHBondContact O-CB 3.21Å
596Y93.4Very high88.4Confident25 Ų2526 Ų2610%0.09813%0.129CC..EExtended strand (participates in β ladder)trans-130.4143.2172.1-73.7-89.3000110.2D342 G343 L554 A566 L568 R583 L584 L586 V594D342-Y596 HydrophobicContact CB-CD1 3.73Å; D342-Y596 HydrophobicContact CB-CE1 4.13Å; G343-Y596 VanDerWaalsContact CA-CZ 3.47Å; G343-Y596 WeakPolarHBondContact CA-OH 3.41Å; L554-Y596 HydrophobicContact CD2-CD1 4.49Å; L554-Y596 HydrophobicContact CD2-CD2 3.73Å; L554-Y596 HydrophobicContact CD2-CE2 4.34Å; L554-Y596 HydrophobicContact CD2-CG 3.81Å; A566-Y596 HydrophobicContact CB-CD1 3.75Å; A566-Y596 HydrophobicContact CB-CE1 3.27Å; L568-Y596 HydrophobicContact CD2-CE2 3.69Å; L568-Y596 WeakPolarHBondContact CD2-OH 3.41Å; R583-Y596 CarbonylContact C-O 3.54Å; R583-Y596 WeakPolarHBondContact CA-O 3.48Å; L584-Y596 PolarHBondContact N-O 2.86Å; L584-Y596 PolarHBondContact O-N 3.29Å; L586-Y596 HydrophobicContact CD1-CD2 3.62Å; L586-Y596 HydrophobicContact CD1-CE2 4.13Å; V594-Y596 HydrophobicContact CG2-CE2 4.16Å
597T90.1Very high87.9Confident53 Ų5327 Ų2733%0.32514%0.135SC..EExtended strand (participates in β ladder)trans-79.5129.2178.9-57.50000109.7D342 L599D342-T597 VanDerWaalsContact CG-N 3.27Å; D342-T597 WeakPolarHBondContact OD1-CB 3.42Å; D342-T597 PolarHBondContact OD1-N 3.03Å; D342-T597 PolarHBondContact OD1-OG1 2.9Å; D342-T597 PolarHBondContact OD2-N 2.81Å; T597-L599 HydrophobicContact CG2-CD1 4.03Å
598L89.7Confident87.7Confident9 Ų927.3 Ų27.35%0.04714%0.137CC..  trans-144.5107.7174.3-178.858.8000108.9I546 Y556 L565 Y577 N582 L584 L600 L603I546-L598 HydrophobicContact CD1-CD2 3.62Å; I546-L598 HydrophobicContact CG1-CD2 4.39Å; Y556-L598 HydrophobicContact CE1-CD1 4.48Å; L565-L598 HydrophobicContact CD1-CD1 4.18Å; L565-L598 HydrophobicContact CD1-CD2 4.02Å; L565-L598 HydrophobicContact CD2-CD1 3.92Å; Y577-L598 HydrophobicContact CE2-CB 4.06Å; Y577-L598 WeakPolarHBondContact CE2-O 3.41Å; Y577-L598 PolarHBondContact OH-O 3.04Å; N582-L598 CarbonylContact C-O 3.51Å; N582-L598 WeakPolarHBondContact CB-O 3.5Å; N582-L598 PolarHBondContact O-N 3.08Å; L584-L598 HydrophobicContact CD1-CB 4.12Å; L584-L598 HydrophobicContact CD1-CD2 3.55Å; L584-L598 HydrophobicContact CD2-CD2 4.27Å; L584-L598 HydrophobicContact CG-CB 4.14Å; L584-L598 HydrophobicContact CG-CD2 3.93Å; L598-L600 PolarHBondContact O-N 2.84Å; L598-L603 HydrophobicContact CD1-CD1 4.25Å; L598-L603 HydrophobicContact CD1-CD2 4.3Å; L598-L603 HydrophobicContact CD1-CG 4.19Å; L598-L603 HydrophobicContact CD2-CD1 3.85Å; L598-L603 HydrophobicContact CG-CD1 3.9Å; L598-L603 HydrophobicContact CG-CG 4.36Å
599L88Confident87.8Confident34 Ų3427.1 Ų27.118%0.17814%0.136CC..  trans-74.5123-178.8-76.687.4000110.2T597 S601 V602 L603 Q628T597-L599 HydrophobicContact CG2-CD1 4.03Å; L599-S601 PolarHBondContact O-N 2.98Å; L599-V602 HydrophobicContact CB-CB 4.27Å; L599-V602 HydrophobicContact CB-CG2 3.75Å; L599-V602 PolarHBondContact O-N 3.3Å; L599-V602 VanDerWaalsContact O-N 3.14Å; L599-L603 PolarHBondContact O-N 2.75Å; L599-Q628 HydrophobicContact CD1-CG 4.46Å
600L85.5Confident88.1Confident49 Ų4924.5 Ų24.526%0.25713%0.13SC..Hα-helixtrans-58.9-39176.6-169.171000111.4Y577 N582 L598 V602 L603 E604Y577-L600 HydrophobicContact CE1-CD1 4.19Å; Y577-L600 WeakPolarHBondContact OH-CB 3.4Å; Y577-L600 PolarHBondContact OH-N 2.94Å; N582-L600 PolarHBondContact OD1-N 2.83Å; L598-L600 PolarHBondContact O-N 2.84Å; L600-V602 VanDerWaalsContact C-N 3.26Å; L600-V602 PolarHBondContact O-N 3Å; L600-L603 PolarHBondContact O-N 2.95Å; L600-L603 VanDerWaalsContact O-N 3.15Å; L600-E604 HydrophobicContact CG-CG 4.34Å; L600-E604 WeakPolarHBondContact O-CG 3.42Å; L600-E604 PolarHBondContact O-N 2.91Å
601S88.6Confident88.3Confident20 Ų2028.2 Ų28.214%0.1414%0.138CC..Hα-helixtrans-61.7-31.6179.249.20000113.2L599 Y605 I620L599-S601 PolarHBondContact O-N 2.98Å; S601-Y605 VanDerWaalsContact O-CB 3.27Å; S601-Y605 WeakPolarHBondContact O-CB 3.2Å; S601-Y605 PolarHBondContact O-N 2.83Å; S601-I620 WeakPolarHBondContact O-CG2 3.34Å
602V89.5Confident88.3Confident14 Ų1429.7 Ų29.79%0.08516%0.156CC..Hα-helixtrans-69.6-45.9174.5177.30000110.3L599 L600 E604 Y605 E606 I624 Q628 I632L599-V602 HydrophobicContact CB-CB 4.27Å; L599-V602 HydrophobicContact CB-CG2 3.75Å; L599-V602 PolarHBondContact O-N 3.3Å; L599-V602 VanDerWaalsContact O-N 3.14Å; L600-V602 VanDerWaalsContact C-N 3.26Å; L600-V602 PolarHBondContact O-N 3Å; V602-E604 PolarHBondContact O-N 3.48Å; V602-Y605 WeakPolarHBondContact O-CB 3.25Å; V602-Y605 PolarHBondContact O-N 3.04Å; V602-E606 HydrophobicContact CG1-CG 4.5Å; V602-E606 WeakPolarHBondContact O-CG 3.48Å; V602-E606 PolarHBondContact O-N 2.89Å; V602-I624 HydrophobicContact CG2-CD1 4.32Å; V602-I624 HydrophobicContact CG2-CG2 3.79Å; V602-Q628 HydrophobicContact CG2-CB 4.33Å; V602-Q628 HydrophobicContact CG2-CG 4.36Å; V602-I632 HydrophobicContact CG1-CG1 4.42Å; V602-I632 HydrophobicContact CG2-CD1 4.43Å
603L86.5Confident88.4Confident5 Ų530.8 Ų30.83%0.02616%0.163CC..Hα-helixtrans-62.7-41.7177-68.6171.3000112.3A544 Y556 V558 L598 L599 L600 Y605 E606 T607A544-L603 HydrophobicContact CB-CD1 4.11Å; A544-L603 HydrophobicContact CB-CD2 3.9Å; A544-L603 HydrophobicContact CB-CG 4.46Å; Y556-L603 HydrophobicContact CD2-CD2 3.84Å; Y556-L603 HydrophobicContact CE2-CD2 3.81Å; Y556-L603 HydrophobicContact CG-CD2 4.25Å; V558-L603 HydrophobicContact CG2-CD2 4.08Å; L598-L603 HydrophobicContact CD1-CD1 4.25Å; L598-L603 HydrophobicContact CD1-CD2 4.3Å; L598-L603 HydrophobicContact CD1-CG 4.19Å; L598-L603 HydrophobicContact CD2-CD1 3.85Å; L598-L603 HydrophobicContact CG-CD1 3.9Å; L598-L603 HydrophobicContact CG-CG 4.36Å; L599-L603 PolarHBondContact O-N 2.75Å; L600-L603 PolarHBondContact O-N 2.95Å; L600-L603 VanDerWaalsContact O-N 3.15Å; L603-Y605 VanDerWaalsContact C-N 3.34Å; L603-E606 PolarHBondContact O-N 3.19Å; L603-T607 VanDerWaalsContact O-CB 3.28Å; L603-T607 WeakPolarHBondContact O-CB 2.97Å; L603-T607 PolarHBondContact O-N 3.31Å; L603-T607 PolarHBondContact O-OG1 2.85Å
604E87.4Confident88.3Confident93 Ų9333 Ų3344%0.43517%0.172SC..Hα-helixtrans-64.4-40.7176.4-71177.1166.300111.2L600 V602 T607 A608 I620L600-E604 HydrophobicContact CG-CG 4.34Å; L600-E604 WeakPolarHBondContact O-CG 3.42Å; L600-E604 PolarHBondContact O-N 2.91Å; V602-E604 PolarHBondContact O-N 3.48Å; E604-T607 PolarHBondContact O-N 2.67Å; E604-A608 WeakPolarHBondContact O-CB 3.38Å; E604-A608 PolarHBondContact O-N 2.9Å; E604-I620 HydrophobicContact CB-CD1 4Å
605Y91.1Very high88.3Confident1 Ų138.3 Ų38.30%0.00421%0.205CC..Hα-helixtrans-61.2-52.2174.5-178-85.8000111.7S601 V602 L603 T607 A608 V609 A617 L621 I624 I632 L636S601-Y605 VanDerWaalsContact O-CB 3.27Å; S601-Y605 WeakPolarHBondContact O-CB 3.2Å; S601-Y605 PolarHBondContact O-N 2.83Å; V602-Y605 WeakPolarHBondContact O-CB 3.25Å; V602-Y605 PolarHBondContact O-N 3.04Å; L603-Y605 VanDerWaalsContact C-N 3.34Å; Y605-T607 VanDerWaalsContact C-N 3.28Å; Y605-T607 PolarHBondContact O-N 3Å; Y605-A608 PolarHBondContact O-N 3.29Å; Y605-A608 VanDerWaalsContact O-N 3.14Å; Y605-V609 HydrophobicContact CD1-CG2 3.98Å; Y605-V609 HydrophobicContact CE1-CG2 3.51Å; Y605-V609 WeakPolarHBondContact O-CG2 3.3Å; Y605-V609 PolarHBondContact O-N 3.39Å; Y605-A617 HydrophobicContact CD2-CB 3.88Å; Y605-A617 VanDerWaalsContact CD2-O 3.25Å; Y605-A617 WeakPolarHBondContact CD2-O 3.11Å; Y605-A617 HydrophobicContact CE2-CB 3.64Å; Y605-A617 VanDerWaalsContact CE2-O 3.3Å; Y605-A617 WeakPolarHBondContact CE2-O 3.39Å; Y605-L621 HydrophobicContact CD2-CB 4.31Å; Y605-L621 HydrophobicContact CD2-CD1 4.13Å; Y605-L621 HydrophobicContact CE2-CB 3.99Å; Y605-L621 HydrophobicContact CE2-CD1 3.65Å; Y605-L621 HydrophobicContact CE2-CG 4.34Å; Y605-I624 HydrophobicContact CD2-CD1 4.32Å; Y605-I624 HydrophobicContact CG-CD1 4.14Å; Y605-I632 HydrophobicContact CD1-CG2 3.73Å; Y605-I632 HydrophobicContact CE1-CG2 3.23Å; Y605-L636 HydrophobicContact CE1-CD1 4.47Å; Y605-L636 HydrophobicContact CE1-CD2 4.47Å
606E89Confident88.2Confident12 Ų1241.2 Ų41.26%0.05622%0.223CC..Hα-helixtrans-58.2-42.8177.6-71.7175175.500111.3Y556 V558 V602 L603 A608 V609 L610 F635Y556-E606 WeakPolarHBondContact CE2-OE2 3.11Å; Y556-E606 PolarHBondContact OH-OE1 3.27Å; Y556-E606 PolarHBondContact OH-OE2 3.11Å; V558-E606 HydrophobicContact CG1-CB 4.11Å; V602-E606 HydrophobicContact CG1-CG 4.5Å; V602-E606 WeakPolarHBondContact O-CG 3.48Å; V602-E606 PolarHBondContact O-N 2.89Å; L603-E606 PolarHBondContact O-N 3.19Å; E606-A608 PolarHBondContact O-N 2.79Å; E606-V609 PolarHBondContact O-N 2.86Å; E606-L610 VanDerWaalsContact O-CG 3.29Å; E606-L610 WeakPolarHBondContact O-CG 3.14Å; E606-L610 PolarHBondContact O-N 2.99Å; E606-F635 HydrophobicContact CB-CE1 4.05Å; E606-F635 HydrophobicContact CB-CE2 4.37Å; E606-F635 HydrophobicContact CB-CZ 3.88Å; E606-F635 HydrophobicContact CG-CD1 3.97Å; E606-F635 HydrophobicContact CG-CD2 4.35Å; E606-F635 HydrophobicContact CG-CE1 3.83Å; E606-F635 HydrophobicContact CG-CE2 4.23Å; E606-F635 HydrophobicContact CG-CG 4.22Å; E606-F635 HydrophobicContact CG-CZ 3.96Å
607T83.6Confident88.2Confident20 Ų2040 Ų4012%0.12322%0.218CC..Hα-helixtrans-62.4-41.8176.7-57.90000111.8D543 L603 E604 Y605 R611D543-T607 HydrophobicContact CB-CG2 4.24Å; L603-T607 VanDerWaalsContact O-CB 3.28Å; L603-T607 WeakPolarHBondContact O-CB 2.97Å; L603-T607 PolarHBondContact O-N 3.31Å; L603-T607 PolarHBondContact O-OG1 2.85Å; E604-T607 PolarHBondContact O-N 2.67Å; Y605-T607 VanDerWaalsContact C-N 3.28Å; Y605-T607 PolarHBondContact O-N 3Å; T607-R611 WeakPolarHBondContact O-CG 3.49Å; T607-R611 PolarHBondContact O-N 2.9Å
608A87.9Confident88.2Confident7 Ų742.1 Ų42.16%0.05823%0.227CC..Hα-helixtrans-66.1-42.8177.600000111.8E604 Y605 E606 L610 R611 G612 D613 T616 A617E604-A608 WeakPolarHBondContact O-CB 3.38Å; E604-A608 PolarHBondContact O-N 2.9Å; Y605-A608 PolarHBondContact O-N 3.29Å; Y605-A608 VanDerWaalsContact O-N 3.14Å; E606-A608 PolarHBondContact O-N 2.79Å; A608-L610 PolarHBondContact O-N 2.86Å; A608-R611 PolarHBondContact O-N 2.84Å; A608-G612 PolarHBondContact O-N 3.11Å; A608-D613 PolarHBondContact O-N 3.37Å; A608-T616 HydrophobicContact CB-CG2 4.38Å; A608-A617 HydrophobicContact CB-CB 4Å
609V89.7Confident88.5Confident0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-61-44.6176.1170.80000111.5Y605 E606 R611 G612 F614 A617 F635 L636 Y641Y605-V609 HydrophobicContact CD1-CG2 3.98Å; Y605-V609 HydrophobicContact CE1-CG2 3.51Å; Y605-V609 WeakPolarHBondContact O-CG2 3.3Å; Y605-V609 PolarHBondContact O-N 3.39Å; E606-V609 PolarHBondContact O-N 2.86Å; V609-R611 PolarHBondContact O-N 2.73Å; V609-G612 WeakPolarHBondContact O-CA 3.43Å; V609-G612 PolarHBondContact O-N 3.02Å; V609-F614 HydrophobicContact CG1-CE1 4.23Å; V609-F614 HydrophobicContact CG1-CZ 4.4Å; V609-F614 HydrophobicContact CG2-CE1 4.32Å; V609-A617 HydrophobicContact CG2-CB 3.94Å; V609-F635 HydrophobicContact CB-CE1 3.86Å; V609-F635 HydrophobicContact CB-CZ 4.38Å; V609-F635 HydrophobicContact CG1-CE1 3.7Å; V609-F635 HydrophobicContact CG1-CZ 4.2Å; V609-F635 HydrophobicContact CG2-CE1 4.34Å; V609-L636 HydrophobicContact CG1-CD2 3.8Å; V609-L636 HydrophobicContact CG2-CD2 3.99Å; V609-Y641 HydrophobicContact CG1-CD2 3.99Å; V609-Y641 HydrophobicContact CG1-CE2 3.94Å
610L82.8Confident88.6Confident47 Ų4744.4 Ų44.425%0.24625%0.249CC..Hα-helixtrans-68.8-21.9179.8-66.7167.8000113V558 G559 E606 A608 G612 F635 Q639V558-L610 HydrophobicContact CG1-CD1 3.58Å; V558-L610 VanDerWaalsContact O-CD1 3.3Å; V558-L610 WeakPolarHBondContact O-CD1 3.36Å; G559-L610 VanDerWaalsContact CA-CD1 3.48Å; E606-L610 VanDerWaalsContact O-CG 3.29Å; E606-L610 WeakPolarHBondContact O-CG 3.14Å; E606-L610 PolarHBondContact O-N 2.99Å; A608-L610 PolarHBondContact O-N 2.86Å; L610-G612 VanDerWaalsContact C-N 3.27Å; L610-F635 HydrophobicContact CD1-CE2 4.32Å; L610-F635 HydrophobicContact CD1-CZ 4.12Å; L610-F635 HydrophobicContact CD2-CE2 4.3Å; L610-F635 HydrophobicContact CD2-CZ 4.03Å; L610-F635 HydrophobicContact CG-CE2 4.4Å; L610-F635 HydrophobicContact CG-CZ 3.87Å; L610-Q639 HydrophobicContact CD2-CG 4.04Å
611R80.8Confident88.9Confident154 Ų15443.3 Ų43.358%0.58124%0.244SC*.THydrogen-bonded Turntrans-80.2-7.8169.9-71.6172.8178.6172.81.6113.4D543 T607 A608 V609 D613D543-R611 IonicContact OD2-CZ 3.06Å; D543-R611 IonicContact OD2-NH1 2.72Å; D543-R611 IonicContact OD2-NH2 3.49Å; D543-R611 PolarHBondContact OD2-NH2 2.86Å; T607-R611 WeakPolarHBondContact O-CG 3.49Å; T607-R611 PolarHBondContact O-N 2.9Å; A608-R611 PolarHBondContact O-N 2.84Å; V609-R611 PolarHBondContact O-N 2.73Å; R611-D613 HydrophobicContact CB-CB 4.47Å; R611-D613 PolarHBondContact O-N 3.07Å
612G84.7Confident89Confident41 Ų4146.9 Ų46.942%0.42327%0.266SS..THydrogen-bonded Turntrans71.514.6-170.800000113.6A608 V609 L610 F614A608-G612 PolarHBondContact O-N 3.11Å; V609-G612 WeakPolarHBondContact O-CA 3.43Å; V609-G612 PolarHBondContact O-N 3.02Å; L610-G612 VanDerWaalsContact C-N 3.27Å; G612-F614 PolarHBondContact O-N 3.21Å
613D89.3Confident89.1Confident56 Ų5652.2 Ų52.230%0.29929%0.294SS..  trans-92.374.2178.7-176.11000110.7A608 R611 T615 T616 A617A608-D613 PolarHBondContact O-N 3.37Å; R611-D613 HydrophobicContact CB-CB 4.47Å; R611-D613 PolarHBondContact O-N 3.07Å; D613-T615 PolarHBondContact O-N 3.1Å; D613-T615 PolarHBondContact OD1-N 2.81Å; D613-T615 PolarHBondContact OD1-OG1 2.82Å; D613-T616 VanDerWaalsContact CG-OG1 3.22Å; D613-T616 PolarHBondContact O-N 3.04Å; D613-T616 PolarHBondContact OD1-N 2.77Å; D613-T616 PolarHBondContact OD1-OG1 3.48Å; D613-T616 VanDerWaalsContact OD2-CB 3.29Å; D613-T616 WeakPolarHBondContact OD2-CB 3.43Å; D613-T616 PolarHBondContact OD2-OG1 2.97Å; D613-A617 PolarHBondContact O-N 3.34Å; D613-A617 VanDerWaalsContact O-N 3.16Å
614F90.5Very high89.2Confident48 Ų4852.3 Ų52.321%0.21129%0.294CS..Hα-helixtrans-66.1-24.7177.7-70.5-77.5000113.1V609 G612 A617 D618 L636 Y641 Q644V609-F614 HydrophobicContact CG1-CE1 4.23Å; V609-F614 HydrophobicContact CG1-CZ 4.4Å; V609-F614 HydrophobicContact CG2-CE1 4.32Å; G612-F614 PolarHBondContact O-N 3.21Å; F614-A617 PolarHBondContact O-N 3Å; F614-D618 WeakPolarHBondContact O-CB 3.3Å; F614-D618 VanDerWaalsContact O-CG 3.31Å; F614-D618 PolarHBondContact O-N 2.96Å; F614-L636 HydrophobicContact CE1-CD2 4.45Å; F614-Y641 HydrophobicContact CE1-CD1 4.4Å; F614-Y641 HydrophobicContact CE1-CD2 4.33Å; F614-Y641 HydrophobicContact CE1-CG 4.26Å; F614-Y641 HydrophobicContact CE2-CD1 4.27Å; F614-Y641 AromaticContact CE2-CE1 3.8Å; F614-Y641 HydrophobicContact CE2-CE1 3.8Å; F614-Y641 AromaticContact CE2-CZ 3.94Å; F614-Y641 AromaticContact CZ-CD1 3.58Å; F614-Y641 HydrophobicContact CZ-CD1 3.58Å; F614-Y641 AromaticContact CZ-CD2 3.81Å; F614-Y641 HydrophobicContact CZ-CD2 3.81Å; F614-Y641 AromaticContact CZ-CE1 3.44Å; F614-Y641 HydrophobicContact CZ-CE1 3.44Å; F614-Y641 VanDerWaalsContact CZ-CE1 3.44Å; F614-Y641 AromaticContact CZ-CE2 3.68Å; F614-Y641 HydrophobicContact CZ-CE2 3.68Å; F614-Y641 AromaticContact CZ-CG 3.76Å; F614-Y641 HydrophobicContact CZ-CG 3.76Å; F614-Y641 AromaticContact CZ-CZ 3.49Å; F614-Y641 VanDerWaalsContact CZ-CZ 3.49Å; F614-Q644 HydrophobicContact CE1-CG 4.4Å
615T93.5Very high89.1Confident116 Ų11649.9 Ų49.971%0.71229%0.288SS*.Hα-helixtrans-63.4-43.7176.437.20000112D613 A619D613-T615 PolarHBondContact O-N 3.1Å; D613-T615 PolarHBondContact OD1-N 2.81Å; D613-T615 PolarHBondContact OD1-OG1 2.82Å; T615-A619 PolarHBondContact O-N 2.97Å
616T91.8Very high89Confident61 Ų6156.8 Ų56.837%0.37432%0.318SS..Hα-helixtrans-71.8-39.9175-59.20000111.3A608 D613 D618 A619 I620A608-T616 HydrophobicContact CB-CG2 4.38Å; D613-T616 VanDerWaalsContact CG-OG1 3.22Å; D613-T616 PolarHBondContact O-N 3.04Å; D613-T616 PolarHBondContact OD1-N 2.77Å; D613-T616 PolarHBondContact OD1-OG1 3.48Å; D613-T616 VanDerWaalsContact OD2-CB 3.29Å; D613-T616 WeakPolarHBondContact OD2-CB 3.43Å; D613-T616 PolarHBondContact OD2-OG1 2.97Å; T616-D618 PolarHBondContact O-N 2.89Å; T616-A619 PolarHBondContact O-N 3.17Å; T616-I620 HydrophobicContact CG2-CD1 3.8Å; T616-I620 HydrophobicContact CG2-CG1 4.49Å; T616-I620 WeakPolarHBondContact O-CG1 3.19Å; T616-I620 PolarHBondContact O-N 3.34Å; T616-I620 VanDerWaalsContact O-N 3.14Å
617A91.6Very high88.8Confident0 Ų062.3 Ų62.30%035%0.348CS..Hα-helixtrans-59.4-47.4178.200000112.3Y605 A608 V609 D613 F614 A619 I620 L621Y605-A617 HydrophobicContact CD2-CB 3.88Å; Y605-A617 VanDerWaalsContact CD2-O 3.25Å; Y605-A617 WeakPolarHBondContact CD2-O 3.11Å; Y605-A617 HydrophobicContact CE2-CB 3.64Å; Y605-A617 VanDerWaalsContact CE2-O 3.3Å; Y605-A617 WeakPolarHBondContact CE2-O 3.39Å; A608-A617 HydrophobicContact CB-CB 4Å; V609-A617 HydrophobicContact CG2-CB 3.94Å; D613-A617 PolarHBondContact O-N 3.34Å; D613-A617 VanDerWaalsContact O-N 3.16Å; F614-A617 PolarHBondContact O-N 3Å; A617-A619 PolarHBondContact O-N 2.95Å; A617-I620 PolarHBondContact O-N 3.21Å; A617-I620 VanDerWaalsContact O-N 3.09Å; A617-L621 PolarHBondContact O-N 2.79Å
618D91.8Very high89Confident97 Ų9763.6 Ų63.652%0.51935%0.352SS..Hα-helixtrans-64.9-28.2178.9-73.9-17.3000112.7F614 T616 P622F614-D618 WeakPolarHBondContact O-CB 3.3Å; F614-D618 VanDerWaalsContact O-CG 3.31Å; F614-D618 PolarHBondContact O-N 2.96Å; T616-D618 PolarHBondContact O-N 2.89Å; D618-P622 WeakPolarHBondContact O-CD 3.27Å
619A94.1Very high89.2Confident69 Ų6965 Ų6557%0.5736%0.356SS*.Hα-helixtrans-74.3-28.6174.600000112.9T615 T616 A617T615-A619 PolarHBondContact O-N 2.97Å; T616-A619 PolarHBondContact O-N 3.17Å; A617-A619 PolarHBondContact O-N 2.95Å
620I91.4Very high89.2Confident23 Ų2366.4 Ų66.412%0.11837%0.365CS..Hα-helixtrans-85.1-34.2-179.7-64.7166.4000111.4S601 E604 T616 A617 P622 N623 I624S601-I620 WeakPolarHBondContact O-CG2 3.34Å; E604-I620 HydrophobicContact CB-CD1 4Å; T616-I620 HydrophobicContact CG2-CD1 3.8Å; T616-I620 HydrophobicContact CG2-CG1 4.49Å; T616-I620 WeakPolarHBondContact O-CG1 3.19Å; T616-I620 PolarHBondContact O-N 3.34Å; T616-I620 VanDerWaalsContact O-N 3.14Å; A617-I620 PolarHBondContact O-N 3.21Å; A617-I620 VanDerWaalsContact O-N 3.09Å; I620-P622 VanDerWaalsContact C-N 3.32Å; I620-P622 VanDerWaalsContact O-N 3.12Å; I620-N623 WeakPolarHBondContact O-CB 3.19Å; I620-N623 PolarHBondContact O-N 3Å; I620-I624 HydrophobicContact CG2-CD1 4.37Å
621L91.1Very high89.4Confident26 Ų2670.7 Ų70.714%0.13638%0.382CS..G310 helixtrans-47.4-42.9-174.8-169.173000114.4Y605 A617 N623 I624 Y629 I632 V648Y605-L621 HydrophobicContact CD2-CB 4.31Å; Y605-L621 HydrophobicContact CD2-CD1 4.13Å; Y605-L621 HydrophobicContact CE2-CB 3.99Å; Y605-L621 HydrophobicContact CE2-CD1 3.65Å; Y605-L621 HydrophobicContact CE2-CG 4.34Å; A617-L621 PolarHBondContact O-N 2.79Å; L621-N623 PolarHBondContact O-N 2.81Å; L621-N623 VanDerWaalsContact O-N 3.16Å; L621-I624 WeakPolarHBondContact O-CB 3.45Å; L621-I624 PolarHBondContact O-N 3.1Å; L621-I624 VanDerWaalsContact O-N 3.08Å; L621-Y629 HydrophobicContact CD1-CE1 4.41Å; L621-Y629 PolarHBondContact O-OH 3.16Å; L621-I632 HydrophobicContact CD1-CD1 4.47Å; L621-V648 HydrophobicContact CD1-CG1 4.12Å; L621-V648 HydrophobicContact CD1-CG2 4.38Å; L621-V648 HydrophobicContact CD2-CG2 3.97Å
622P91.9Very high89.9Confident94 Ų9463.3 Ų63.361%0.6135%0.354SS*.G310 helixtrans-64.1-19.3179.2-21.534.2000115.1D618 I620 I624D618-P622 WeakPolarHBondContact O-CD 3.27Å; I620-P622 VanDerWaalsContact C-N 3.32Å; I620-P622 VanDerWaalsContact O-N 3.12Å; P622-I624 VanDerWaalsContact C-N 3.29Å
623N89.8Confident90.3Very high126 Ų12661.4 Ų61.467%0.67433%0.334SS*.G310 helixtrans-85.3-2.7178-64.3-24.6000112.7I620 L621I620-N623 WeakPolarHBondContact O-CB 3.19Å; I620-N623 PolarHBondContact O-N 3Å; L621-N623 PolarHBondContact O-N 2.81Å; L621-N623 VanDerWaalsContact O-N 3.16Å
624I88.7Confident90.4Very high7 Ų763.1 Ų63.14%0.03634%0.34CS..SBendtrans-97140.9179.7-56.5175.3000108.9V602 Y605 I620 L621 P622 Q628 Y629 I632V602-I624 HydrophobicContact CG2-CD1 4.32Å; V602-I624 HydrophobicContact CG2-CG2 3.79Å; Y605-I624 HydrophobicContact CD2-CD1 4.32Å; Y605-I624 HydrophobicContact CG-CD1 4.14Å; I620-I624 HydrophobicContact CG2-CD1 4.37Å; L621-I624 WeakPolarHBondContact O-CB 3.45Å; L621-I624 PolarHBondContact O-N 3.1Å; L621-I624 VanDerWaalsContact O-N 3.08Å; P622-I624 VanDerWaalsContact C-N 3.29Å; I624-Q628 HydrophobicContact CG2-CB 3.78Å; I624-Q628 HydrophobicContact CG2-CG 4.31Å; I624-Y629 HydrophobicContact CB-CE1 4.14Å; I624-Y629 HydrophobicContact CG2-CD1 4.44Å; I624-Y629 HydrophobicContact CG2-CE1 4.3Å; I624-Y629 WeakPolarHBondContact O-CE1 3.25Å; I624-I632 HydrophobicContact CB-CD1 4.49Å; I624-I632 HydrophobicContact CD1-CD1 3.6Å; I624-I632 HydrophobicContact CG2-CD1 3.8Å
625S86.9Confident90.3Very high42 Ų4261.6 Ų61.629%0.29433%0.334SS..  trans-67.6145.6175.583.40000111.1D627 Q628 Y629S625-D627 WeakPolarHBondContact CB-OD2 3.35Å; S625-D627 PolarHBondContact O-N 2.88Å; S625-D627 VanDerWaalsContact O-N 3.17Å; S625-D627 PolarHBondContact OG-OD2 3.02Å; S625-Q628 PolarHBondContact O-N 2.9Å; S625-Y629 VanDerWaalsContact O-CD1 3.26Å; S625-Y629 WeakPolarHBondContact O-CD1 3.13Å
626K88Confident90.2Very high147 Ų14756 Ų5664%0.63930%0.3SS*.G310 helixtrans-60.5-27.8-178.4-69.9-173.5178.9-1780112.8Q628 Y629K626-Q628 PolarHBondContact O-N 2.87Å; K626-Y629 HydrophobicContact CG-CE2 4.47Å; K626-Y629 VanDerWaalsContact O-CB 3.24Å; K626-Y629 WeakPolarHBondContact O-CB 3.47Å; K626-Y629 PolarHBondContact O-N 2.95Å
627D85.9Confident90.2Very high128 Ų12855.3 Ų55.368%0.68429%0.292SS*.G310 helixtrans-62.3-23.7178-12-54.2000112.2S625S625-D627 WeakPolarHBondContact CB-OD2 3.35Å; S625-D627 PolarHBondContact O-N 2.88Å; S625-D627 VanDerWaalsContact O-N 3.17Å; S625-D627 PolarHBondContact OG-OD2 3.02Å
628Q86.8Confident90Very high46 Ų4662.9 Ų62.922%0.21533%0.325CS..G310 helixtrans-88.9-9.9174.9-57.7-57.9-38.300113.3L599 V602 I624 S625 K626 T630 K631 I632L599-Q628 HydrophobicContact CD1-CG 4.46Å; V602-Q628 HydrophobicContact CG2-CB 4.33Å; V602-Q628 HydrophobicContact CG2-CG 4.36Å; I624-Q628 HydrophobicContact CG2-CB 3.78Å; I624-Q628 HydrophobicContact CG2-CG 4.31Å; S625-Q628 PolarHBondContact O-N 2.9Å; K626-Q628 PolarHBondContact O-N 2.87Å; Q628-T630 VanDerWaalsContact C-N 3.32Å; Q628-T630 PolarHBondContact O-N 2.97Å; Q628-K631 PolarHBondContact O-N 2.86Å; Q628-K631 VanDerWaalsContact O-N 3.15Å; Q628-I632 WeakPolarHBondContact O-CG1 3.42Å; Q628-I632 PolarHBondContact O-N 2.85Å
629Y92.5Very high89.8Confident36 Ų3660.9 Ų60.914%0.14131%0.313CS..Hα-helixtrans-65-35.8-172-80.426.8000112.2L621 I624 S625 K626 I632 A633 V648 T650L621-Y629 HydrophobicContact CD1-CE1 4.41Å; L621-Y629 PolarHBondContact O-OH 3.16Å; I624-Y629 HydrophobicContact CB-CE1 4.14Å; I624-Y629 HydrophobicContact CG2-CD1 4.44Å; I624-Y629 HydrophobicContact CG2-CE1 4.3Å; I624-Y629 WeakPolarHBondContact O-CE1 3.25Å; S625-Y629 VanDerWaalsContact O-CD1 3.26Å; S625-Y629 WeakPolarHBondContact O-CD1 3.13Å; K626-Y629 HydrophobicContact CG-CE2 4.47Å; K626-Y629 VanDerWaalsContact O-CB 3.24Å; K626-Y629 WeakPolarHBondContact O-CB 3.47Å; K626-Y629 PolarHBondContact O-N 2.95Å; Y629-I632 PolarHBondContact O-N 3.1Å; Y629-A633 VanDerWaalsContact O-CB 3.31Å; Y629-A633 WeakPolarHBondContact O-CB 3.38Å; Y629-A633 PolarHBondContact O-N 3.43Å; Y629-V648 WeakPolarHBondContact CB-O 3.49Å; Y629-V648 HydrophobicContact CD2-CG1 4.06Å; Y629-V648 WeakPolarHBondContact CD2-O 3.2Å; Y629-V648 HydrophobicContact CG-CG1 4.04Å; Y629-T650 HydrophobicContact CD2-CG2 4.19Å; Y629-T650 HydrophobicContact CG-CG2 4.47Å
630T89.1Confident89.6Confident31 Ų3159.4 Ų59.419%0.1930%0.304CS..Hα-helixtrans-62.4-43.1175.1-54.20000111.6Q628 A633 Q634 T650 D651Q628-T630 VanDerWaalsContact C-N 3.32Å; Q628-T630 PolarHBondContact O-N 2.97Å; T630-A633 PolarHBondContact O-N 2.86Å; T630-Q634 WeakPolarHBondContact O-CG 3.37Å; T630-Q634 PolarHBondContact O-N 2.96Å; T630-T650 PolarHBondContact OG1-OG1 2.94Å; T630-D651 HydrophobicContact CG2-CB 3.9Å
631K87.4Confident89.7Confident136 Ų13662 Ų6259%0.59131%0.313SS*.Hα-helixtrans-62.9-43.7175.9-78.2-177.6178.31770111.7Q628 A633 Q634 F635Q628-K631 PolarHBondContact O-N 2.86Å; Q628-K631 VanDerWaalsContact O-N 3.15Å; K631-A633 VanDerWaalsContact C-N 3.3Å; K631-A633 PolarHBondContact O-N 3.04Å; K631-Q634 PolarHBondContact O-N 2.67Å; K631-F635 PolarHBondContact O-N 3.08Å
632I91Very high89.8Confident0 Ų065.9 Ų65.90%033%0.326CS..Hα-helixtrans-62.4-40.7176.1-68.6172000110.9V602 Y605 L621 I624 Q628 Y629 F635 L636 V648V602-I632 HydrophobicContact CG1-CG1 4.42Å; V602-I632 HydrophobicContact CG2-CD1 4.43Å; Y605-I632 HydrophobicContact CD1-CG2 3.73Å; Y605-I632 HydrophobicContact CE1-CG2 3.23Å; L621-I632 HydrophobicContact CD1-CD1 4.47Å; I624-I632 HydrophobicContact CB-CD1 4.49Å; I624-I632 HydrophobicContact CD1-CD1 3.6Å; I624-I632 HydrophobicContact CG2-CD1 3.8Å; Q628-I632 WeakPolarHBondContact O-CG1 3.42Å; Q628-I632 PolarHBondContact O-N 2.85Å; Y629-I632 PolarHBondContact O-N 3.1Å; I632-F635 WeakPolarHBondContact O-CB 3.4Å; I632-F635 PolarHBondContact O-N 3.08Å; I632-L636 HydrophobicContact CG2-CD1 4.11Å; I632-L636 HydrophobicContact CG2-CG 4.48Å; I632-L636 WeakPolarHBondContact O-CG 3.5Å; I632-L636 PolarHBondContact O-N 2.99Å; I632-V648 HydrophobicContact CB-CG1 4.27Å; I632-V648 HydrophobicContact CG2-CG1 3.98Å
633A92.7Very high89.8Confident0 Ų064.7 Ų64.70%032%0.317CS..Hα-helixtrans-64.6-42.3177.500000111.8Y629 T630 K631 F635 L636 E637 A645 V648Y629-A633 VanDerWaalsContact O-CB 3.31Å; Y629-A633 WeakPolarHBondContact O-CB 3.38Å; Y629-A633 PolarHBondContact O-N 3.43Å; T630-A633 PolarHBondContact O-N 2.86Å; K631-A633 VanDerWaalsContact C-N 3.3Å; K631-A633 PolarHBondContact O-N 3.04Å; A633-F635 VanDerWaalsContact C-N 3.31Å; A633-F635 PolarHBondContact O-N 2.95Å; A633-L636 PolarHBondContact O-N 3.27Å; A633-E637 WeakPolarHBondContact O-CB 3.31Å; A633-E637 PolarHBondContact O-N 2.89Å; A633-A645 HydrophobicContact CB-CB 4.42Å; A633-A645 WeakPolarHBondContact CB-O 3.32Å; A633-A645 VanDerWaalsContact O-CB 3.28Å; A633-A645 WeakPolarHBondContact O-CB 3.25Å; A633-V648 HydrophobicContact CB-CB 4.42Å
634Q91.1Very high89.9Confident93 Ų9361.8 Ų61.844%0.43530%0.299SS..Hα-helixtrans-62.9-39.1174.4-72.1172.6-11.900111.8T630 K631 E637 K638T630-Q634 WeakPolarHBondContact O-CG 3.37Å; T630-Q634 PolarHBondContact O-N 2.96Å; K631-Q634 PolarHBondContact O-N 2.67Å; Q634-E637 PolarHBondContact O-N 3.1Å; Q634-K638 PolarHBondContact O-N 3.12Å
635F88.7Confident90.1Very high15 Ų1561.5 Ų61.57%0.06630%0.297CS..Hα-helixtrans-61-48.6172.4164.5-99.9000111.3E606 V609 L610 K631 I632 A633 E637 K638 Q639E606-F635 HydrophobicContact CB-CE1 4.05Å; E606-F635 HydrophobicContact CB-CE2 4.37Å; E606-F635 HydrophobicContact CB-CZ 3.88Å; E606-F635 HydrophobicContact CG-CD1 3.97Å; E606-F635 HydrophobicContact CG-CD2 4.35Å; E606-F635 HydrophobicContact CG-CE1 3.83Å; E606-F635 HydrophobicContact CG-CE2 4.23Å; E606-F635 HydrophobicContact CG-CG 4.22Å; E606-F635 HydrophobicContact CG-CZ 3.96Å; V609-F635 HydrophobicContact CB-CE1 3.86Å; V609-F635 HydrophobicContact CB-CZ 4.38Å; V609-F635 HydrophobicContact CG1-CE1 3.7Å; V609-F635 HydrophobicContact CG1-CZ 4.2Å; V609-F635 HydrophobicContact CG2-CE1 4.34Å; L610-F635 HydrophobicContact CD1-CE2 4.32Å; L610-F635 HydrophobicContact CD1-CZ 4.12Å; L610-F635 HydrophobicContact CD2-CE2 4.3Å; L610-F635 HydrophobicContact CD2-CZ 4.03Å; L610-F635 HydrophobicContact CG-CE2 4.4Å; L610-F635 HydrophobicContact CG-CZ 3.87Å; K631-F635 PolarHBondContact O-N 3.08Å; I632-F635 WeakPolarHBondContact O-CB 3.4Å; I632-F635 PolarHBondContact O-N 3.08Å; A633-F635 VanDerWaalsContact C-N 3.31Å; A633-F635 PolarHBondContact O-N 2.95Å; F635-E637 VanDerWaalsContact C-N 3.32Å; F635-E637 PolarHBondContact O-N 2.99Å; F635-K638 PolarHBondContact O-N 3.43Å; F635-Q639 HydrophobicContact CD2-CG 4.24Å; F635-Q639 HydrophobicContact CE1-CG 4.31Å; F635-Q639 HydrophobicContact CE2-CG 3.8Å; F635-Q639 HydrophobicContact CZ-CG 3.84Å; F635-Q639 WeakPolarHBondContact O-CG 3.4Å; F635-Q639 PolarHBondContact O-N 3.12Å
636L91.5Very high90.3Very high0 Ų060.9 Ų60.90%029%0.29CS..Hα-helixtrans-60-40.5176.3-74166.6000112.3Y605 V609 F614 I632 A633 Q639 G640 Y641 Q644 A645 V648Y605-L636 HydrophobicContact CE1-CD1 4.47Å; Y605-L636 HydrophobicContact CE1-CD2 4.47Å; V609-L636 HydrophobicContact CG1-CD2 3.8Å; V609-L636 HydrophobicContact CG2-CD2 3.99Å; F614-L636 HydrophobicContact CE1-CD2 4.45Å; I632-L636 HydrophobicContact CG2-CD1 4.11Å; I632-L636 HydrophobicContact CG2-CG 4.48Å; I632-L636 WeakPolarHBondContact O-CG 3.5Å; I632-L636 PolarHBondContact O-N 2.99Å; A633-L636 PolarHBondContact O-N 3.27Å; L636-Q639 CarbonylContact O-C 3.53Å; L636-Q639 PolarHBondContact O-N 2.88Å; L636-G640 PolarHBondContact O-N 3.17Å; L636-Y641 HydrophobicContact CD2-CD2 4.32Å; L636-Y641 WeakPolarHBondContact O-CA 3.16Å; L636-Y641 PolarHBondContact O-N 3Å; L636-Q644 HydrophobicContact CD1-CB 4.23Å; L636-Q644 HydrophobicContact CD2-CB 4.43Å; L636-A645 HydrophobicContact CB-CB 3.75Å; L636-V648 HydrophobicContact CD1-CB 4.32Å; L636-V648 HydrophobicContact CD1-CG2 3.93Å
637E92.4Very high90.4Very high46 Ų4663.9 Ų63.922%0.21530%0.298CS..Hα-helixtrans-60.7-48.6176-174.9-169.9-161.900111.1A633 Q634 F635 Q639 G640 A645 H654 L658 Q661A633-E637 WeakPolarHBondContact O-CB 3.31Å; A633-E637 PolarHBondContact O-N 2.89Å; Q634-E637 PolarHBondContact O-N 3.1Å; F635-E637 VanDerWaalsContact C-N 3.32Å; F635-E637 PolarHBondContact O-N 2.99Å; E637-Q639 VanDerWaalsContact C-N 3.28Å; E637-Q639 PolarHBondContact O-N 2.91Å; E637-G640 WeakPolarHBondContact O-CA 3.48Å; E637-G640 PolarHBondContact O-N 2.95Å; E637-A645 HydrophobicContact CB-CB 4.29Å; E637-H654 IonicContact OE2-CD2 3.48Å; E637-H654 IonicContact OE2-NE2 3.47Å; E637-H654 PolarHBondContact OE2-NE2 2.92Å; E637-L658 HydrophobicContact CB-CD2 4.12Å; E637-L658 HydrophobicContact CG-CD2 3.75Å; E637-Q661 PolarHBondContact OE1-NE2 3.05Å
638K87.8Confident90.7Very high159 Ų15958.4 Ų58.469%0.69127%0.269SS*.Hα-helixtrans-58.6-39.3175.8-82.8-175.5175.3-178.90112.6Q634 F635 G640Q634-K638 PolarHBondContact O-N 3.12Å; F635-K638 PolarHBondContact O-N 3.43Å; K638-G640 PolarHBondContact O-N 3.01Å
639Q87.8Confident91.1Very high55 Ų5556.7 Ų56.726%0.25726%0.261SS..THydrogen-bonded Turntrans-73.5-1.9174.4-61.6-47.5-47.900113.4E561 L610 F635 L636 E637 Y641E561-Q639 PolarHBondContact OE1-NE2 3.02Å; E561-Q639 PolarHBondContact OE2-NE2 3.21Å; L610-Q639 HydrophobicContact CD2-CG 4.04Å; F635-Q639 HydrophobicContact CD2-CG 4.24Å; F635-Q639 HydrophobicContact CE1-CG 4.31Å; F635-Q639 HydrophobicContact CE2-CG 3.8Å; F635-Q639 HydrophobicContact CZ-CG 3.84Å; F635-Q639 WeakPolarHBondContact O-CG 3.4Å; F635-Q639 PolarHBondContact O-N 3.12Å; L636-Q639 CarbonylContact O-C 3.53Å; L636-Q639 PolarHBondContact O-N 2.88Å; E637-Q639 VanDerWaalsContact C-N 3.28Å; E637-Q639 PolarHBondContact O-N 2.91Å; Q639-Y641 HydrophobicContact CB-CD2 3.63Å; Q639-Y641 HydrophobicContact CB-CE2 3.81Å
640G89.8Confident91Very high38 Ų3858.4 Ų58.439%0.39228%0.276SS..THydrogen-bonded Turntrans86.91.4177.700000114.9L636 E637 K638 R642L636-G640 PolarHBondContact O-N 3.17Å; E637-G640 WeakPolarHBondContact O-CA 3.48Å; E637-G640 PolarHBondContact O-N 2.95Å; K638-G640 PolarHBondContact O-N 3.01Å; G640-R642 VanDerWaalsContact C-N 3.26Å; G640-R642 PolarHBondContact O-N 2.93Å
641Y92.1Very high91Very high77 Ų7759.7 Ų59.730%0.30228%0.281SS..  trans-85.756.4-179.4-58.5-64.5000112.3V609 F614 L636 Q639 T643 Q644 A645V609-Y641 HydrophobicContact CG1-CD2 3.99Å; V609-Y641 HydrophobicContact CG1-CE2 3.94Å; F614-Y641 HydrophobicContact CE1-CD1 4.4Å; F614-Y641 HydrophobicContact CE1-CD2 4.33Å; F614-Y641 HydrophobicContact CE1-CG 4.26Å; F614-Y641 HydrophobicContact CE2-CD1 4.27Å; F614-Y641 AromaticContact CE2-CE1 3.8Å; F614-Y641 HydrophobicContact CE2-CE1 3.8Å; F614-Y641 AromaticContact CE2-CZ 3.94Å; F614-Y641 AromaticContact CZ-CD1 3.58Å; F614-Y641 HydrophobicContact CZ-CD1 3.58Å; F614-Y641 AromaticContact CZ-CD2 3.81Å; F614-Y641 HydrophobicContact CZ-CD2 3.81Å; F614-Y641 AromaticContact CZ-CE1 3.44Å; F614-Y641 HydrophobicContact CZ-CE1 3.44Å; F614-Y641 VanDerWaalsContact CZ-CE1 3.44Å; F614-Y641 AromaticContact CZ-CE2 3.68Å; F614-Y641 HydrophobicContact CZ-CE2 3.68Å; F614-Y641 AromaticContact CZ-CG 3.76Å; F614-Y641 HydrophobicContact CZ-CG 3.76Å; F614-Y641 AromaticContact CZ-CZ 3.49Å; F614-Y641 VanDerWaalsContact CZ-CZ 3.49Å; L636-Y641 HydrophobicContact CD2-CD2 4.32Å; L636-Y641 WeakPolarHBondContact O-CA 3.16Å; L636-Y641 PolarHBondContact O-N 3Å; Q639-Y641 HydrophobicContact CB-CD2 3.63Å; Q639-Y641 HydrophobicContact CB-CE2 3.81Å; Y641-T643 VanDerWaalsContact C-N 3.33Å; Y641-T643 PolarHBondContact O-N 2.98Å; Y641-Q644 PolarHBondContact O-N 2.93Å; Y641-Q644 VanDerWaalsContact O-N 3.13Å; Y641-A645 PolarHBondContact O-N 3.48Å
642R93.4Very high91.1Very high108 Ų10857.3 Ų57.341%0.40827%0.273SS..Hα-helixtrans-56.9-39.7-174-65.2176.8-179.491.62.4114G640 Q644 A645 M646 L658 L662G640-R642 VanDerWaalsContact C-N 3.26Å; G640-R642 PolarHBondContact O-N 2.93Å; R642-Q644 VanDerWaalsContact C-N 3.33Å; R642-Q644 PolarHBondContact O-N 2.75Å; R642-A645 WeakPolarHBondContact O-CB 3.39Å; R642-A645 PolarHBondContact O-N 3.22Å; R642-M646 WeakPolarHBondContact O-CB 3.29Å; R642-M646 PolarHBondContact O-N 3.41Å; R642-L658 HydrophobicContact CB-CD2 4.26Å; R642-L658 HydrophobicContact CG-CD2 4.33Å; R642-L662 HydrophobicContact CB-CD1 4.37Å; R642-L662 HydrophobicContact CB-CD2 3.9Å; R642-L662 HydrophobicContact CB-CG 4.16Å
643T92.1Very high91.1Very high69 Ų6961.5 Ų61.542%0.42330%0.296SS..Hα-helixtrans-65.5-38.3179.9-48.20000111.8Y641 R647Y641-T643 VanDerWaalsContact C-N 3.33Å; Y641-T643 PolarHBondContact O-N 2.98Å; T643-R647 PolarHBondContact O-N 2.79Å
644Q91.7Very high91.1Very high65 Ų6562.2 Ų62.230%0.30430%0.299SS..Hα-helixtrans-72.4-44.3175.5-67.282.7-24.200110.2F614 L636 Y641 R642 M646 R647 V648F614-Q644 HydrophobicContact CE1-CG 4.4Å; L636-Q644 HydrophobicContact CD1-CB 4.23Å; L636-Q644 HydrophobicContact CD2-CB 4.43Å; Y641-Q644 PolarHBondContact O-N 2.93Å; Y641-Q644 VanDerWaalsContact O-N 3.13Å; R642-Q644 VanDerWaalsContact C-N 3.33Å; R642-Q644 PolarHBondContact O-N 2.75Å; Q644-M646 PolarHBondContact O-N 2.98Å; Q644-R647 WeakPolarHBondContact O-CB 3.26Å; Q644-R647 PolarHBondContact O-N 3.03Å; Q644-V648 WeakPolarHBondContact O-CG2 3.34Å; Q644-V648 PolarHBondContact O-N 3.28Å; Q644-V648 VanDerWaalsContact O-N 3.12Å
645A93.3Very high91.2Very high0 Ų060.5 Ų60.50%029%0.29CS..Hα-helixtrans-52.8-44.417400000111.5A633 L636 E637 Y641 R642 R647 V648 T649 L658A633-A645 HydrophobicContact CB-CB 4.42Å; A633-A645 WeakPolarHBondContact CB-O 3.32Å; A633-A645 VanDerWaalsContact O-CB 3.28Å; A633-A645 WeakPolarHBondContact O-CB 3.25Å; L636-A645 HydrophobicContact CB-CB 3.75Å; E637-A645 HydrophobicContact CB-CB 4.29Å; Y641-A645 PolarHBondContact O-N 3.48Å; R642-A645 WeakPolarHBondContact O-CB 3.39Å; R642-A645 PolarHBondContact O-N 3.22Å; A645-R647 VanDerWaalsContact C-N 3.26Å; A645-R647 PolarHBondContact O-N 2.74Å; A645-V648 PolarHBondContact O-N 2.78Å; A645-V648 VanDerWaalsContact O-N 3.14Å; A645-T649 PolarHBondContact O-N 2.88Å; A645-L658 HydrophobicContact CB-CD1 3.77Å; A645-L658 HydrophobicContact CB-CD2 4.09Å
646M92.4Very high91.4Very high29 Ų2959.9 Ų59.914%0.14329%0.288CS..Hα-helixtrans-65.2-28.6179.9-169.418072.100113R642 Q644 K655 L658 A659 L662 L667R642-M646 WeakPolarHBondContact O-CB 3.29Å; R642-M646 PolarHBondContact O-N 3.41Å; Q644-M646 PolarHBondContact O-N 2.98Å; M646-K655 HydrophobicContact CG-CG 4.1Å; M646-L658 HydrophobicContact CB-CB 4.17Å; M646-L658 HydrophobicContact CB-CD1 4.26Å; M646-L658 HydrophobicContact CG-CB 4.33Å; M646-A659 HydrophobicContact SD-CB 4.01Å; M646-L662 HydrophobicContact CB-CD1 4.33Å; M646-L662 HydrophobicContact CE-CD1 4.06Å; M646-L662 HydrophobicContact SD-CD1 3.78Å; M646-L667 HydrophobicContact CE-CD2 4.17Å; M646-L667 HydrophobicContact SD-CD2 3.72Å
647R89.8Confident91.4Very high211 Ų21164.5 Ų64.580%0.79631%0.309SS*.Hα-helixtrans-77.1-31.7175.3-73.7178171-176.7-1.8112.7T643 Q644 A645T643-R647 PolarHBondContact O-N 2.79Å; Q644-R647 WeakPolarHBondContact O-CB 3.26Å; Q644-R647 PolarHBondContact O-N 3.03Å; A645-R647 VanDerWaalsContact C-N 3.26Å; A645-R647 PolarHBondContact O-N 2.74Å
648V92.4Very high91.5Very high12 Ų1262.3 Ų62.37%0.07330%0.299CS..Hα-helixtrans-87.4-38.2-175.7179.30000111.4L621 Y629 I632 A633 L636 Q644 A645 T650L621-V648 HydrophobicContact CD1-CG1 4.12Å; L621-V648 HydrophobicContact CD1-CG2 4.38Å; L621-V648 HydrophobicContact CD2-CG2 3.97Å; Y629-V648 WeakPolarHBondContact CB-O 3.49Å; Y629-V648 HydrophobicContact CD2-CG1 4.06Å; Y629-V648 WeakPolarHBondContact CD2-O 3.2Å; Y629-V648 HydrophobicContact CG-CG1 4.04Å; I632-V648 HydrophobicContact CB-CG1 4.27Å; I632-V648 HydrophobicContact CG2-CG1 3.98Å; A633-V648 HydrophobicContact CB-CB 4.42Å; L636-V648 HydrophobicContact CD1-CB 4.32Å; L636-V648 HydrophobicContact CD1-CG2 3.93Å; Q644-V648 WeakPolarHBondContact O-CG2 3.34Å; Q644-V648 PolarHBondContact O-N 3.28Å; Q644-V648 VanDerWaalsContact O-N 3.12Å; A645-V648 PolarHBondContact O-N 2.78Å; A645-V648 VanDerWaalsContact O-N 3.14Å; V648-T650 PolarHBondContact O-N 3.42Å
649T93.3Very high91.7Very high10 Ų1054.8 Ų54.86%0.06127%0.266CS..  trans-57.4132.9-173.7-168.80000112.7A645 D651 H654 K655 L658A645-T649 PolarHBondContact O-N 2.88Å; T649-D651 PolarHBondContact OG1-N 2.84Å; T649-D651 PolarHBondContact OG1-O 3.06Å; T649-H654 PolarHBondContact OG1-ND1 3.24Å; T649-H654 VanDerWaalsContact OG1-ND1 3.09Å; T649-K655 HydrophobicContact CG2-CB 3.62Å; T649-K655 HydrophobicContact CG2-CD 4.29Å; T649-K655 HydrophobicContact CG2-CG 3.83Å; T649-L658 HydrophobicContact CG2-CD1 4.18Å
650T90.7Very high91.9Very high72 Ų7254.3 Ų54.344%0.44227%0.265SS..  trans-97.4-18.3171.347.70000112.3Y629 T630 V648Y629-T650 HydrophobicContact CD2-CG2 4.19Å; Y629-T650 HydrophobicContact CG-CG2 4.47Å; T630-T650 PolarHBondContact OG1-OG1 2.94Å; V648-T650 PolarHBondContact O-N 3.42Å
651D90.5Very high91.9Very high58 Ų5856.8 Ų56.831%0.3127%0.266SS..  trans-77.8125.3174.4174.920.7000110.4T630 T649 D653 H654 K655T630-D651 HydrophobicContact CG2-CB 3.9Å; T649-D651 PolarHBondContact OG1-N 2.84Å; T649-D651 PolarHBondContact OG1-O 3.06Å; D651-D653 PolarHBondContact OD1-N 2.79Å; D651-H654 HydrophobicContact CB-CB 4.06Å; D651-H654 VanDerWaalsContact OD2-CB 3.28Å; D651-H654 WeakPolarHBondContact OD2-CB 3.36Å; D651-H654 PolarHBondContact OD2-N 2.96Å; D651-K655 VanDerWaalsContact O-CB 3.28Å; D651-K655 WeakPolarHBondContact O-CB 3.16Å; D651-K655 PolarHBondContact O-N 3.47Å
652M89.3Confident91.8Very high86 Ų8656.3 Ų56.342%0.42427%0.269SS..Hα-helixtrans-75.2-28.7-177.2-67.4-63.9-75.800112.5K655 F656 I671M652-K655 PolarHBondContact O-N 3.48Å; M652-K655 HydrophobicContact SD-CD 4.3Å; M652-F656 WeakPolarHBondContact O-CB 3.41Å; M652-F656 PolarHBondContact O-N 2.81Å; M652-I671 HydrophobicContact CE-CB 4.44Å; M652-I671 HydrophobicContact CE-CG1 3.84Å; M652-I671 HydrophobicContact CE-CG2 4.14Å
653D89.9Confident91.6Very high89 Ų8953 Ų5348%0.47627%0.268SS..Hα-helixtrans-72.3-49.7176.9-69.5-26.4000110.1D651 K655 F656 E657 K683D651-D653 PolarHBondContact OD1-N 2.79Å; D653-K655 VanDerWaalsContact C-N 3.25Å; D653-K655 PolarHBondContact O-N 2.84Å; D653-F656 WeakPolarHBondContact O-CB 3.34Å; D653-F656 PolarHBondContact O-N 2.79Å; D653-F656 VanDerWaalsContact O-N 3.08Å; D653-E657 PolarHBondContact O-N 3.42Å; D653-K683 WeakPolarHBondContact OD1-CE 3.39Å; D653-K683 IonicContact OD1-NZ 3.53Å; D653-K683 PolarHBondContact OD1-NZ 2.89Å
654H92.4Very high91.4Very high14 Ų1452.6 Ų52.67%0.06526%0.264CS..Hα-helixtrans-58.5-37.7171.2-178.8-143000112.5E637 T649 D651 F656 E657 L658E637-H654 IonicContact OE2-CD2 3.48Å; E637-H654 IonicContact OE2-NE2 3.47Å; E637-H654 PolarHBondContact OE2-NE2 2.92Å; T649-H654 PolarHBondContact OG1-ND1 3.24Å; T649-H654 VanDerWaalsContact OG1-ND1 3.09Å; D651-H654 HydrophobicContact CB-CB 4.06Å; D651-H654 VanDerWaalsContact OD2-CB 3.28Å; D651-H654 WeakPolarHBondContact OD2-CB 3.36Å; D651-H654 PolarHBondContact OD2-N 2.96Å; H654-F656 VanDerWaalsContact C-N 3.34Å; H654-F656 PolarHBondContact O-N 2.82Å; H654-E657 PolarHBondContact O-N 3.23Å; H654-L658 WeakPolarHBondContact O-CG 3.48Å; H654-L658 PolarHBondContact O-N 3.11Å
655K93.6Very high91.2Very high58 Ų5850.8 Ų50.825%0.25226%0.255SS..Hα-helixtrans-64-38.8175-163.1173.8-175.2177.70112.6M646 T649 D651 M652 D653 L658 A659 I671M646-K655 HydrophobicContact CG-CG 4.1Å; T649-K655 HydrophobicContact CG2-CB 3.62Å; T649-K655 HydrophobicContact CG2-CD 4.29Å; T649-K655 HydrophobicContact CG2-CG 3.83Å; D651-K655 VanDerWaalsContact O-CB 3.28Å; D651-K655 WeakPolarHBondContact O-CB 3.16Å; D651-K655 PolarHBondContact O-N 3.47Å; M652-K655 PolarHBondContact O-N 3.48Å; M652-K655 HydrophobicContact SD-CD 4.3Å; D653-K655 VanDerWaalsContact C-N 3.25Å; D653-K655 PolarHBondContact O-N 2.84Å; K655-L658 PolarHBondContact O-N 3.29Å; K655-A659 WeakPolarHBondContact O-CB 3.42Å; K655-A659 PolarHBondContact O-N 2.94Å; K655-I671 HydrophobicContact CB-CD1 4.24Å; K655-I671 HydrophobicContact CD-CD1 4.32Å; K655-I671 HydrophobicContact CG-CD1 4.08Å
656F92.8Very high91Very high2 Ų257.4 Ų57.41%0.00929%0.286CS..Hα-helixtrans-61.7-47.5175.5177.4-91.9000111M652 D653 H654 L658 A659 L660 C668 I671 A672 K683 Q686 L687M652-F656 WeakPolarHBondContact O-CB 3.41Å; M652-F656 PolarHBondContact O-N 2.81Å; D653-F656 WeakPolarHBondContact O-CB 3.34Å; D653-F656 PolarHBondContact O-N 2.79Å; D653-F656 VanDerWaalsContact O-N 3.08Å; H654-F656 VanDerWaalsContact C-N 3.34Å; H654-F656 PolarHBondContact O-N 2.82Å; F656-L658 PolarHBondContact O-N 2.78Å; F656-A659 PolarHBondContact O-N 3.5Å; F656-L660 HydrophobicContact CE1-CD2 4.48Å; F656-L660 WeakPolarHBondContact O-CB 3.32Å; F656-L660 PolarHBondContact O-N 3.23Å; F656-C668 HydrophobicContact CD2-CB 4.09Å; F656-C668 HydrophobicContact CE2-CB 3.73Å; F656-C668 HydrophobicContact CZ-CB 4.49Å; F656-I671 HydrophobicContact CB-CD1 4.36Å; F656-I671 HydrophobicContact CB-CG2 4.09Å; F656-I671 HydrophobicContact CD2-CB 4.29Å; F656-I671 HydrophobicContact CD2-CG2 4.22Å; F656-A672 HydrophobicContact CE2-CB 4.44Å; F656-K683 HydrophobicContact CD1-CD 4.3Å; F656-K683 HydrophobicContact CD1-CG 4.1Å; F656-K683 HydrophobicContact CD2-CD 4.17Å; F656-K683 HydrophobicContact CE1-CB 3.96Å; F656-K683 HydrophobicContact CE1-CD 4.5Å; F656-K683 HydrophobicContact CE1-CG 3.91Å; F656-K683 HydrophobicContact CE2-CB 3.93Å; F656-K683 HydrophobicContact CE2-CD 4.35Å; F656-K683 HydrophobicContact CE2-CG 4.33Å; F656-K683 HydrophobicContact CG-CD 4.15Å; F656-K683 HydrophobicContact CG-CG 4.42Å; F656-K683 HydrophobicContact CZ-CB 3.61Å; F656-K683 HydrophobicContact CZ-CG 4.04Å; F656-K683 WeakPolarHBondContact CZ-O 3.46Å; F656-Q686 HydrophobicContact CE1-CB 4.43Å; F656-L687 HydrophobicContact CE2-CD1 3.61Å; F656-L687 HydrophobicContact CE2-CG 4.23Å; F656-L687 HydrophobicContact CZ-CD1 3.9Å; F656-L687 HydrophobicContact CZ-CG 4.14Å
657E92.9Very high90.8Very high97 Ų9757.5 Ų57.545%0.45329%0.287SS..Hα-helixtrans-62.5-43.7177.7-66.8-154.316600112.2D653 H654 A659 L660 Q661D653-E657 PolarHBondContact O-N 3.42Å; H654-E657 PolarHBondContact O-N 3.23Å; E657-A659 PolarHBondContact O-N 2.82Å; E657-L660 WeakPolarHBondContact O-CB 3.47Å; E657-L660 PolarHBondContact O-N 2.85Å; E657-Q661 WeakPolarHBondContact O-CG 3.4Å; E657-Q661 PolarHBondContact O-N 3.47Å
658L93.3Very high90.8Very high0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-61.9-43176.5-73170.8000112.3E637 R642 A645 M646 T649 H654 K655 F656 L660 Q661 L662E637-L658 HydrophobicContact CB-CD2 4.12Å; E637-L658 HydrophobicContact CG-CD2 3.75Å; R642-L658 HydrophobicContact CB-CD2 4.26Å; R642-L658 HydrophobicContact CG-CD2 4.33Å; A645-L658 HydrophobicContact CB-CD1 3.77Å; A645-L658 HydrophobicContact CB-CD2 4.09Å; M646-L658 HydrophobicContact CB-CB 4.17Å; M646-L658 HydrophobicContact CB-CD1 4.26Å; M646-L658 HydrophobicContact CG-CB 4.33Å; T649-L658 HydrophobicContact CG2-CD1 4.18Å; H654-L658 WeakPolarHBondContact O-CG 3.48Å; H654-L658 PolarHBondContact O-N 3.11Å; K655-L658 PolarHBondContact O-N 3.29Å; F656-L658 PolarHBondContact O-N 2.78Å; L658-L660 VanDerWaalsContact C-N 3.31Å; L658-L660 PolarHBondContact O-N 2.72Å; L658-Q661 PolarHBondContact O-N 3.29Å; L658-L662 WeakPolarHBondContact O-CB 3.34Å; L658-L662 VanDerWaalsContact O-CG 3.29Å; L658-L662 WeakPolarHBondContact O-CG 3.47Å; L658-L662 PolarHBondContact O-N 2.81Å
659A93Very high90.7Very high0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-63.4-39.2176.200000111.3M646 K655 F656 E657 L662 G663 D664 L667 C668M646-A659 HydrophobicContact SD-CB 4.01Å; K655-A659 WeakPolarHBondContact O-CB 3.42Å; K655-A659 PolarHBondContact O-N 2.94Å; F656-A659 PolarHBondContact O-N 3.5Å; E657-A659 PolarHBondContact O-N 2.82Å; A659-L662 CarbonylContact O-C 3.58Å; A659-L662 PolarHBondContact O-N 3.42Å; A659-G663 PolarHBondContact O-N 2.95Å; A659-D664 HydrophobicContact CB-CB 4.43Å; A659-D664 PolarHBondContact O-N 2.81Å; A659-L667 HydrophobicContact CB-CB 4.4Å; A659-L667 HydrophobicContact CB-CD2 4.03Å; A659-L667 HydrophobicContact CB-CG 4.29Å; A659-C668 VanDerWaalsContact C-SG 3.52Å; A659-C668 WeakPolarHBondContact CB-SG 3.32Å
660L91.4Very high90.5Very high45 Ų4552.8 Ų52.824%0.23627%0.272CS..Hα-helixtrans-63.6-45.8176-16672000111.1F656 E657 L658 L662 G663 C668 Q686 A690F656-L660 HydrophobicContact CE1-CD2 4.48Å; F656-L660 WeakPolarHBondContact O-CB 3.32Å; F656-L660 PolarHBondContact O-N 3.23Å; E657-L660 WeakPolarHBondContact O-CB 3.47Å; E657-L660 PolarHBondContact O-N 2.85Å; L658-L660 VanDerWaalsContact C-N 3.31Å; L658-L660 PolarHBondContact O-N 2.72Å; L660-L662 VanDerWaalsContact C-N 3.29Å; L660-L662 PolarHBondContact O-N 2.91Å; L660-G663 PolarHBondContact O-N 2.91Å; L660-G663 VanDerWaalsContact O-N 3.13Å; L660-C668 PolarHBondContact N-SG 3.37Å; L660-Q686 HydrophobicContact CD2-CB 4.2Å; L660-A690 HydrophobicContact CD1-CB 3.61Å; L660-A690 HydrophobicContact CG-CB 4.36Å
661Q90.2Very high90.3Very high90 Ų9049.8 Ų49.842%0.42125%0.253SS..Hα-helixtrans-62.9-33.5176-69.4178.727.700112.7E637 E657 L658 G663E637-Q661 PolarHBondContact OE1-NE2 3.05Å; E657-Q661 WeakPolarHBondContact O-CG 3.4Å; E657-Q661 PolarHBondContact O-N 3.47Å; L658-Q661 PolarHBondContact O-N 3.29Å; Q661-G663 VanDerWaalsContact C-N 3.32Å
662L90.1Very high90.1Very high67 Ų6747.1 Ų47.135%0.35124%0.239SC..Hα-helixtrans-81.7-9.4176.8-70.3169.9000113.4R642 M646 L658 A659 L660R642-L662 HydrophobicContact CB-CD1 4.37Å; R642-L662 HydrophobicContact CB-CD2 3.9Å; R642-L662 HydrophobicContact CB-CG 4.16Å; M646-L662 HydrophobicContact CB-CD1 4.33Å; M646-L662 HydrophobicContact CE-CD1 4.06Å; M646-L662 HydrophobicContact SD-CD1 3.78Å; L658-L662 WeakPolarHBondContact O-CB 3.34Å; L658-L662 VanDerWaalsContact O-CG 3.29Å; L658-L662 WeakPolarHBondContact O-CG 3.47Å; L658-L662 PolarHBondContact O-N 2.81Å; A659-L662 CarbonylContact O-C 3.58Å; A659-L662 PolarHBondContact O-N 3.42Å; L660-L662 VanDerWaalsContact C-N 3.29Å; L660-L662 PolarHBondContact O-N 2.91Å
663G87.7Confident90Very high38 Ų3847.4 Ų47.439%0.39224%0.241SC..THydrogen-bonded Turntrans74.721.9-177.300000114.4A659 L660 Q661 F665A659-G663 PolarHBondContact O-N 2.95Å; L660-G663 PolarHBondContact O-N 2.91Å; L660-G663 VanDerWaalsContact O-N 3.13Å; Q661-G663 VanDerWaalsContact C-N 3.32Å; G663-F665 WeakPolarHBondContact O-CD2 3.48Å; G663-F665 WeakPolarHBondContact O-CE2 3.39Å; G663-F665 PolarHBondContact O-N 2.8Å; G663-F665 VanDerWaalsContact O-N 3.17Å
664D89.6Confident89.6Confident62 Ų6249.9 Ų49.933%0.33225%0.254SS..  trans-86.176.8177.2-167.3-13.7000111.1A659 E666 L667 C668A659-D664 HydrophobicContact CB-CB 4.43Å; A659-D664 PolarHBondContact O-N 2.81Å; D664-E666 PolarHBondContact O-N 3.04Å; D664-E666 PolarHBondContact OD1-N 3.22Å; D664-L667 HydrophobicContact CB-CB 4.34Å; D664-L667 PolarHBondContact O-N 2.92Å; D664-L667 PolarHBondContact OD1-N 3.13Å; D664-C668 PolarHBondContact O-N 2.75Å; D664-C668 VanDerWaalsContact O-N 3.09Å; D664-C668 PolarHBondContact O-SG 2.86Å
665F86.4Confident88.7Confident27 Ų2750.9 Ų50.912%0.11827%0.268CS..Hα-helixtrans-61.9-29.2-177.8-63.5-83.5000113.7G663 Q669 L687 A690 A691 A694 K696G663-F665 WeakPolarHBondContact O-CD2 3.48Å; G663-F665 WeakPolarHBondContact O-CE2 3.39Å; G663-F665 PolarHBondContact O-N 2.8Å; G663-F665 VanDerWaalsContact O-N 3.17Å; F665-Q669 VanDerWaalsContact O-CB 3.28Å; F665-Q669 WeakPolarHBondContact O-CB 3.29Å; F665-Q669 PolarHBondContact O-N 3.47Å; F665-L687 HydrophobicContact CD1-CD2 4.08Å; F665-A690 HydrophobicContact CE1-CB 3.87Å; F665-A690 HydrophobicContact CZ-CB 4.48Å; F665-A691 HydrophobicContact CE1-CB 4.32Å; F665-A694 HydrophobicContact CE2-CB 4.34Å; F665-A694 HydrophobicContact CZ-CB 3.87Å; F665-K696 HydrophobicContact CD2-CD 4.31Å; F665-K696 HydrophobicContact CE2-CD 4.16Å; F665-K696 VanDerWaalsContact CE2-NZ 3.27Å
666E88.9Confident87.6Confident138 Ų13853.3 Ų53.365%0.64528%0.284SS*.Hα-helixtrans-71.2-44.3-178.3-171.1169.6-175.100110.4D664 Q669 Q670D664-E666 PolarHBondContact O-N 3.04Å; D664-E666 PolarHBondContact OD1-N 3.22Å; E666-Q669 PolarHBondContact O-N 2.91Å; E666-Q670 WeakPolarHBondContact O-CG 3.05Å; E666-Q670 PolarHBondContact O-N 2.86Å
667L89Confident86.4Confident31 Ų3156.5 Ų56.516%0.16231%0.311CS..Hα-helixtrans-66.6-42.8174.6-175.261000111.9M646 A659 D664 Q669 Q670 I671M646-L667 HydrophobicContact CE-CD2 4.17Å; M646-L667 HydrophobicContact SD-CD2 3.72Å; A659-L667 HydrophobicContact CB-CB 4.4Å; A659-L667 HydrophobicContact CB-CD2 4.03Å; A659-L667 HydrophobicContact CB-CG 4.29Å; D664-L667 HydrophobicContact CB-CB 4.34Å; D664-L667 PolarHBondContact O-N 2.92Å; D664-L667 PolarHBondContact OD1-N 3.13Å; L667-Q669 VanDerWaalsContact C-N 3.26Å; L667-Q669 PolarHBondContact O-N 3.2Å; L667-Q670 PolarHBondContact O-N 3.07Å; L667-I671 HydrophobicContact CD1-CD1 4.38Å; L667-I671 HydrophobicContact CD1-CG1 4.48Å; L667-I671 HydrophobicContact CG-CD1 4.09Å; L667-I671 WeakPolarHBondContact O-CG1 3.3Å; L667-I671 PolarHBondContact O-N 2.76Å
668C90.4Very high85.3Confident0 Ų060.4 Ų60.40%033%0.326CS..Hα-helixtrans-56.7-43.3174.6-68.70000111.5F656 A659 L660 D664 I671 A672 L687F656-C668 HydrophobicContact CD2-CB 4.09Å; F656-C668 HydrophobicContact CE2-CB 3.73Å; F656-C668 HydrophobicContact CZ-CB 4.49Å; A659-C668 VanDerWaalsContact C-SG 3.52Å; A659-C668 WeakPolarHBondContact CB-SG 3.32Å; L660-C668 PolarHBondContact N-SG 3.37Å; D664-C668 PolarHBondContact O-N 2.75Å; D664-C668 VanDerWaalsContact O-N 3.09Å; D664-C668 PolarHBondContact O-SG 2.86Å; C668-I671 PolarHBondContact O-N 2.89Å; C668-A672 WeakPolarHBondContact O-CB 3.28Å; C668-A672 PolarHBondContact O-N 3.09Å; C668-L687 HydrophobicContact CB-CD1 3.81Å; C668-L687 HydrophobicContact CB-CD2 3.82Å; C668-L687 HydrophobicContact CB-CG 3.88Å
669Q89.2Confident84.4Confident33 Ų3365.3 Ų65.315%0.15436%0.356CS..Hα-helixtrans-64-42.9178.4-178.917316.900112F665 E666 L667 A672 M673 W684 Y703F665-Q669 VanDerWaalsContact O-CB 3.28Å; F665-Q669 WeakPolarHBondContact O-CB 3.29Å; F665-Q669 PolarHBondContact O-N 3.47Å; E666-Q669 PolarHBondContact O-N 2.91Å; L667-Q669 VanDerWaalsContact C-N 3.26Å; L667-Q669 PolarHBondContact O-N 3.2Å; Q669-A672 PolarHBondContact O-N 3.18Å; Q669-M673 HydrophobicContact CG-CE 3.9Å; Q669-M673 HydrophobicContact CG-SD 4.27Å; Q669-M673 WeakPolarHBondContact O-CB 3.17Å; Q669-M673 VanDerWaalsContact O-CG 3.31Å; Q669-M673 WeakPolarHBondContact O-CG 3.41Å; Q669-M673 PolarHBondContact O-N 2.8Å; Q669-W684 HydrophobicContact CG-CH2 4.01Å; Q669-W684 HydrophobicContact CG-CZ3 4.14Å; Q669-Y703 HydrophobicContact CB-CE1 4.43Å; Q669-Y703 HydrophobicContact CG-CE1 4.21Å
670Q88.8Confident83.9Confident101 Ų10165.7 Ų65.747%0.47236%0.358SS..Hα-helixtrans-59.3-47.7175.7-72.3171.77.500111.2E666 L667 A672 M673 D674E666-Q670 WeakPolarHBondContact O-CG 3.05Å; E666-Q670 PolarHBondContact O-N 2.86Å; L667-Q670 PolarHBondContact O-N 3.07Å; Q670-A672 VanDerWaalsContact C-N 3.33Å; Q670-A672 PolarHBondContact O-N 2.69Å; Q670-M673 PolarHBondContact O-N 3.31Å; Q670-D674 PolarHBondContact O-N 3.47Å; Q670-D674 VanDerWaalsContact O-N 3.16Å
671I87.2Confident83.7Confident9 Ų966 Ų665%0.04636%0.359CS..Hα-helixtrans-63.2-39.7179.4-62.8169.8000111.5M652 K655 F656 L667 C668 M673M652-I671 HydrophobicContact CE-CB 4.44Å; M652-I671 HydrophobicContact CE-CG1 3.84Å; M652-I671 HydrophobicContact CE-CG2 4.14Å; K655-I671 HydrophobicContact CB-CD1 4.24Å; K655-I671 HydrophobicContact CD-CD1 4.32Å; K655-I671 HydrophobicContact CG-CD1 4.08Å; F656-I671 HydrophobicContact CB-CD1 4.36Å; F656-I671 HydrophobicContact CB-CG2 4.09Å; F656-I671 HydrophobicContact CD2-CB 4.29Å; F656-I671 HydrophobicContact CD2-CG2 4.22Å; L667-I671 HydrophobicContact CD1-CD1 4.38Å; L667-I671 HydrophobicContact CD1-CG1 4.48Å; L667-I671 HydrophobicContact CG-CD1 4.09Å; L667-I671 WeakPolarHBondContact O-CG1 3.3Å; L667-I671 PolarHBondContact O-N 2.76Å; C668-I671 PolarHBondContact O-N 2.89Å; I671-M673 VanDerWaalsContact C-N 3.33Å
672A87Confident83.6Confident2 Ų264.8 Ų64.82%0.01736%0.364CS..Hα-helixtrans-70.6-28.6178.400000112.9F656 C668 Q669 Q670 N680 K683 W684 L687F656-A672 HydrophobicContact CE2-CB 4.44Å; C668-A672 WeakPolarHBondContact O-CB 3.28Å; C668-A672 PolarHBondContact O-N 3.09Å; Q669-A672 PolarHBondContact O-N 3.18Å; Q670-A672 VanDerWaalsContact C-N 3.33Å; Q670-A672 PolarHBondContact O-N 2.69Å; A672-N680 PolarHBondContact O-ND2 3.33Å; A672-K683 HydrophobicContact CB-CB 4.46Å; A672-W684 HydrophobicContact CB-CD2 4Å; A672-W684 HydrophobicContact CB-CE3 4.19Å; A672-W684 HydrophobicContact CB-CH2 3.72Å; A672-W684 HydrophobicContact CB-CZ2 3.5Å; A672-W684 HydrophobicContact CB-CZ3 4.06Å; A672-L687 HydrophobicContact CB-CD1 4.12Å
673M86.6Confident83.6Confident92 Ų9263.2 Ų63.245%0.45335%0.354SS..Hα-helixtrans-74.8-33.8176.4-78-177.2172.600113.8Q669 Q670 I671 G675 W684Q669-M673 HydrophobicContact CG-CE 3.9Å; Q669-M673 HydrophobicContact CG-SD 4.27Å; Q669-M673 WeakPolarHBondContact O-CB 3.17Å; Q669-M673 VanDerWaalsContact O-CG 3.31Å; Q669-M673 WeakPolarHBondContact O-CG 3.41Å; Q669-M673 PolarHBondContact O-N 2.8Å; Q670-M673 PolarHBondContact O-N 3.31Å; I671-M673 VanDerWaalsContact C-N 3.33Å; M673-G675 PolarHBondContact O-N 3.2Å; M673-W684 HydrophobicContact CE-CH2 4.39Å; M673-W684 HydrophobicContact CG-CH2 3.82Å; M673-W684 HydrophobicContact CG-CZ2 3.94Å
674D82Confident83.8Confident141 Ų14162 Ų6275%0.75434%0.337SS*.SBendtrans-74-7.6-175.4-77.5-12.2000113.8Q670Q670-D674 PolarHBondContact O-N 3.47Å; Q670-D674 VanDerWaalsContact O-N 3.16Å
675G71.8Confident83.9Confident36 Ų3662.8 Ų62.837%0.37134%0.338SS..SBendtrans-105.9176.6178.800000114.7M673 N680M673-G675 PolarHBondContact O-N 3.2Å; G675-N680 VanDerWaalsContact CA-ND2 3.35Å; G675-N680 WeakPolarHBondContact CA-ND2 3.47Å
676D71.6Confident84.1Confident108 Ų10865.1 Ų65.158%0.57835%0.349SS*.  trans-67.9136.3175.9-171.24.1000110.7K678 T679 N680D676-K678 PolarHBondContact O-N 3.35Å; D676-T679 PolarHBondContact O-N 3.28Å; D676-T679 PolarHBondContact O-OG1 3.19Å; D676-T679 VanDerWaalsContact O-OG1 3.09Å; D676-N680 PolarHBondContact O-N 2.78Å
677A68.1Low84.3Confident69 Ų6958.5 Ų58.557%0.5732%0.318SS*.THydrogen-bonded Turntrans-61-34.1-172.400000112.1E681A677-E681 PolarHBondContact O-N 3.2Å
678K69.2Low84.4Confident180 Ų18057.2 Ų57.278%0.78331%0.312SS*.THydrogen-bonded Turntrans-72.9-42.1177.6-79.2-173.2175.7-175.90112.9D676D676-K678 PolarHBondContact O-N 3.35Å
679T73.8Confident84.5Confident102 Ų10262.2 Ų62.263%0.62634%0.336SS*.THydrogen-bonded Turntrans-74.2-29.6-177.953.80000112.1D676D676-T679 PolarHBondContact O-N 3.28Å; D676-T679 PolarHBondContact O-OG1 3.19Å; D676-T679 VanDerWaalsContact O-OG1 3.09Å
680N83.9Confident84.6Confident8 Ų861.7 Ų61.74%0.04334%0.337CS..THydrogen-bonded Turntrans-90.85.7179.8-78.6-12000114.6A672 G675 D676 A682 K683 W684A672-N680 PolarHBondContact O-ND2 3.33Å; G675-N680 VanDerWaalsContact CA-ND2 3.35Å; G675-N680 WeakPolarHBondContact CA-ND2 3.47Å; D676-N680 PolarHBondContact O-N 2.78Å; N680-A682 PolarHBondContact O-N 3.11Å; N680-K683 WeakPolarHBondContact O-CB 3.35Å; N680-K683 PolarHBondContact O-N 3.44Å; N680-K683 WeakPolarHBondContact OD1-CD 3.34Å; N680-K683 PolarHBondContact OD1-NZ 3.14Å; N680-W684 PolarHBondContact O-N 2.97Å; N680-W684 VanDerWaalsContact O-N 3.08Å
681E86.1Confident84.7Confident53 Ų5356.9 Ų56.925%0.24831%0.314CS..Hα-helixtrans-56.3-41.2179.4-165.3-169.2152.100111.8A677 K683 W684 K685 T707A677-E681 PolarHBondContact O-N 3.2Å; E681-K683 VanDerWaalsContact C-N 3.32Å; E681-K683 PolarHBondContact O-N 3.42Å; E681-W684 PolarHBondContact O-N 2.83Å; E681-K685 PolarHBondContact O-N 3.15Å; E681-K685 WeakPolarHBondContact OE1-CE 3.11Å; E681-K685 IonicContact OE1-NZ 3.26Å; E681-K685 PolarHBondContact OE1-NZ 3.06Å; E681-T707 HydrophobicContact CG-CG2 3.87Å
682A88.6Confident84.8Confident63 Ų6358.6 Ų58.652%0.52133%0.326SS..Hα-helixtrans-60.1-39.7176.200000112.5N680 K685 Q686N680-A682 PolarHBondContact O-N 3.11Å; A682-K685 PolarHBondContact O-N 2.82Å; A682-Q686 WeakPolarHBondContact O-CG 3.12Å; A682-Q686 PolarHBondContact O-N 2.72Å
683K90.5Very high84.9Confident34 Ų3465.9 Ų65.915%0.14836%0.358CS..Hα-helixtrans-65.5-40.8176.6-67.9-179-173.91580111.4D653 F656 A672 N680 E681 K685 Q686 L687D653-K683 WeakPolarHBondContact OD1-CE 3.39Å; D653-K683 IonicContact OD1-NZ 3.53Å; D653-K683 PolarHBondContact OD1-NZ 2.89Å; F656-K683 HydrophobicContact CD1-CD 4.3Å; F656-K683 HydrophobicContact CD1-CG 4.1Å; F656-K683 HydrophobicContact CD2-CD 4.17Å; F656-K683 HydrophobicContact CE1-CB 3.96Å; F656-K683 HydrophobicContact CE1-CD 4.5Å; F656-K683 HydrophobicContact CE1-CG 3.91Å; F656-K683 HydrophobicContact CE2-CB 3.93Å; F656-K683 HydrophobicContact CE2-CD 4.35Å; F656-K683 HydrophobicContact CE2-CG 4.33Å; F656-K683 HydrophobicContact CG-CD 4.15Å; F656-K683 HydrophobicContact CG-CG 4.42Å; F656-K683 HydrophobicContact CZ-CB 3.61Å; F656-K683 HydrophobicContact CZ-CG 4.04Å; F656-K683 WeakPolarHBondContact CZ-O 3.46Å; A672-K683 HydrophobicContact CB-CB 4.46Å; N680-K683 WeakPolarHBondContact O-CB 3.35Å; N680-K683 PolarHBondContact O-N 3.44Å; N680-K683 WeakPolarHBondContact OD1-CD 3.34Å; N680-K683 PolarHBondContact OD1-NZ 3.14Å; E681-K683 VanDerWaalsContact C-N 3.32Å; E681-K683 PolarHBondContact O-N 3.42Å; K683-K685 VanDerWaalsContact C-N 3.34Å; K683-K685 PolarHBondContact O-N 2.77Å; K683-Q686 PolarHBondContact O-N 3.39Å; K683-L687 WeakPolarHBondContact O-CB 3.5Å; K683-L687 PolarHBondContact O-N 2.92Å
684W91.4Very high85.1Confident12 Ų1263.7 Ų63.75%0.04535%0.354CS..Hα-helixtrans-62.8-39.7175.6-70.5117.1000112.3Q669 A672 M673 N680 E681 L687 A688 Y703 R706 T707Q669-W684 HydrophobicContact CG-CH2 4.01Å; Q669-W684 HydrophobicContact CG-CZ3 4.14Å; A672-W684 HydrophobicContact CB-CD2 4Å; A672-W684 HydrophobicContact CB-CE3 4.19Å; A672-W684 HydrophobicContact CB-CH2 3.72Å; A672-W684 HydrophobicContact CB-CZ2 3.5Å; A672-W684 HydrophobicContact CB-CZ3 4.06Å; M673-W684 HydrophobicContact CE-CH2 4.39Å; M673-W684 HydrophobicContact CG-CH2 3.82Å; M673-W684 HydrophobicContact CG-CZ2 3.94Å; N680-W684 PolarHBondContact O-N 2.97Å; N680-W684 VanDerWaalsContact O-N 3.08Å; E681-W684 PolarHBondContact O-N 2.83Å; W684-L687 HydrophobicContact CE3-CD1 4.12Å; W684-L687 HydrophobicContact CZ3-CD1 4.18Å; W684-L687 WeakPolarHBondContact O-CB 3.33Å; W684-L687 PolarHBondContact O-N 2.84Å; W684-A688 WeakPolarHBondContact O-CB 3.46Å; W684-A688 PolarHBondContact O-N 3.01Å; W684-Y703 AromaticContact CE3-CD1 3.91Å; W684-Y703 HydrophobicContact CE3-CD1 3.91Å; W684-Y703 HydrophobicContact CE3-CG 4.27Å; W684-Y703 AromaticContact CZ3-CD1 3.65Å; W684-Y703 HydrophobicContact CZ3-CD1 3.65Å; W684-Y703 HydrophobicContact CZ3-CE1 4.14Å; W684-Y703 HydrophobicContact CZ3-CG 4.44Å; W684-R706 HydrophobicContact CD2-CB 4.1Å; W684-R706 HydrophobicContact CD2-CG 4.49Å; W684-R706 HydrophobicContact CG-CB 4.09Å; W684-T707 HydrophobicContact CB-CG2 3.48Å; W684-T707 VanDerWaalsContact CB-CG2 3.48Å; W684-T707 HydrophobicContact CG-CG2 4.44Å
685K91.6Very high85.4Confident80 Ų8061.4 Ų61.435%0.34835%0.348SS..Hα-helixtrans-63.4-45.5173.9-68.5-177.8-174.4173.20111.9E681 A682 K683 L687 A688 E689 T707E681-K685 PolarHBondContact O-N 3.15Å; E681-K685 WeakPolarHBondContact OE1-CE 3.11Å; E681-K685 IonicContact OE1-NZ 3.26Å; E681-K685 PolarHBondContact OE1-NZ 3.06Å; A682-K685 PolarHBondContact O-N 2.82Å; K683-K685 VanDerWaalsContact C-N 3.34Å; K683-K685 PolarHBondContact O-N 2.77Å; K685-L687 VanDerWaalsContact C-N 3.35Å; K685-L687 PolarHBondContact O-N 2.97Å; K685-A688 WeakPolarHBondContact O-CB 3.21Å; K685-A688 PolarHBondContact O-N 2.97Å; K685-E689 PolarHBondContact O-N 3.43Å; K685-T707 HydrophobicContact CG-CG2 4.01Å
686Q91.4Very high86.2Confident75 Ų7563.6 Ų63.635%0.3535%0.348SS..Hα-helixtrans-61.3-41.9175.6-72.3-179.9-1.600112.4F656 L660 A682 K683 E689 A690F656-Q686 HydrophobicContact CE1-CB 4.43Å; L660-Q686 HydrophobicContact CD2-CB 4.2Å; A682-Q686 WeakPolarHBondContact O-CG 3.12Å; A682-Q686 PolarHBondContact O-N 2.72Å; K683-Q686 PolarHBondContact O-N 3.39Å; Q686-E689 PolarHBondContact O-N 2.93Å; Q686-A690 WeakPolarHBondContact O-CB 3.5Å; Q686-A690 PolarHBondContact O-N 3.46Å
687L91.5Very high87.1Confident0 Ų064 Ų640%035%0.345CS..Hα-helixtrans-61.1-44.1174.1-110152.6000112F656 F665 C668 A672 K683 W684 K685 A690 A691 Y703F656-L687 HydrophobicContact CE2-CD1 3.61Å; F656-L687 HydrophobicContact CE2-CG 4.23Å; F656-L687 HydrophobicContact CZ-CD1 3.9Å; F656-L687 HydrophobicContact CZ-CG 4.14Å; F665-L687 HydrophobicContact CD1-CD2 4.08Å; C668-L687 HydrophobicContact CB-CD1 3.81Å; C668-L687 HydrophobicContact CB-CD2 3.82Å; C668-L687 HydrophobicContact CB-CG 3.88Å; A672-L687 HydrophobicContact CB-CD1 4.12Å; K683-L687 WeakPolarHBondContact O-CB 3.5Å; K683-L687 PolarHBondContact O-N 2.92Å; W684-L687 HydrophobicContact CE3-CD1 4.12Å; W684-L687 HydrophobicContact CZ3-CD1 4.18Å; W684-L687 WeakPolarHBondContact O-CB 3.33Å; W684-L687 PolarHBondContact O-N 2.84Å; K685-L687 VanDerWaalsContact C-N 3.35Å; K685-L687 PolarHBondContact O-N 2.97Å; L687-A690 PolarHBondContact O-N 3.38Å; L687-A691 VanDerWaalsContact O-CB 3.26Å; L687-A691 WeakPolarHBondContact O-CB 3.36Å; L687-A691 PolarHBondContact O-N 2.89Å; L687-Y703 HydrophobicContact CB-CD2 3.89Å; L687-Y703 HydrophobicContact CB-CE2 4.32Å; L687-Y703 HydrophobicContact CB-CG 4.24Å; L687-Y703 HydrophobicContact CD2-CD2 3.89Å; L687-Y703 HydrophobicContact CD2-CE1 4.34Å; L687-Y703 HydrophobicContact CD2-CE2 3.43Å; L687-Y703 VanDerWaalsContact CD2-CE2 3.43Å; L687-Y703 HydrophobicContact CG-CE2 4.49Å
688A91.5Very high88Confident3 Ų368.2 Ų68.23%0.02535%0.35CS..Hα-helixtrans-63.5-45.2177.200000111.9W684 K685 A691 C692 L704W684-A688 WeakPolarHBondContact O-CB 3.46Å; W684-A688 PolarHBondContact O-N 3.01Å; K685-A688 WeakPolarHBondContact O-CB 3.21Å; K685-A688 PolarHBondContact O-N 2.97Å; A688-A691 PolarHBondContact O-N 2.6Å; A688-C692 WeakPolarHBondContact O-CB 3.28Å; A688-C692 PolarHBondContact O-N 3.27Å; A688-C692 PolarHBondContact O-SG 2.87Å; A688-L704 HydrophobicContact CB-CD1 4.25Å; A688-L704 HydrophobicContact CB-CD2 3.7Å; A688-L704 HydrophobicContact CB-CG 3.53Å
689E92.6Very high88.9Confident106 Ų10665 Ų6550%0.49533%0.334SS..Hα-helixtrans-62.2-45.4177.2-166.7-168.4156.500111.1K685 Q686 A691 C692 K693K685-E689 PolarHBondContact O-N 3.43Å; Q686-E689 PolarHBondContact O-N 2.93Å; E689-A691 VanDerWaalsContact C-N 3.32Å; E689-A691 PolarHBondContact O-N 3.19Å; E689-C692 WeakPolarHBondContact O-CB 3.47Å; E689-C692 PolarHBondContact O-N 3.2Å; E689-K693 WeakPolarHBondContact O-CG 3.4Å; E689-K693 PolarHBondContact O-N 2.93Å; E689-K693 WeakPolarHBondContact OE1-CE 3.36Å; E689-K693 IonicContact OE1-NZ 3.79Å; E689-K693 PolarHBondContact OE1-NZ 2.69Å
690A90.9Very high89.7Confident22 Ų2260.2 Ų60.218%0.18230%0.304CS..Hα-helixtrans-62.7-39175.500000112L660 F665 Q686 L687 K693 A694L660-A690 HydrophobicContact CD1-CB 3.61Å; L660-A690 HydrophobicContact CG-CB 4.36Å; F665-A690 HydrophobicContact CE1-CB 3.87Å; F665-A690 HydrophobicContact CZ-CB 4.48Å; Q686-A690 WeakPolarHBondContact O-CB 3.5Å; Q686-A690 PolarHBondContact O-N 3.46Å; L687-A690 PolarHBondContact O-N 3.38Å; A690-K693 PolarHBondContact O-N 3.06Å; A690-A694 WeakPolarHBondContact O-CB 3.28Å; A690-A694 PolarHBondContact O-N 2.75Å
691A90.7Very high90Very high0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-65.4-40.5174.800000111.6F665 L687 A688 E689 A694 C695 K696 A700 Y703F665-A691 HydrophobicContact CE1-CB 4.32Å; L687-A691 VanDerWaalsContact O-CB 3.26Å; L687-A691 WeakPolarHBondContact O-CB 3.36Å; L687-A691 PolarHBondContact O-N 2.89Å; A688-A691 PolarHBondContact O-N 2.6Å; E689-A691 VanDerWaalsContact C-N 3.32Å; E689-A691 PolarHBondContact O-N 3.19Å; A691-A694 CarbonylContact O-C 3.55Å; A691-A694 PolarHBondContact O-N 3.45Å; A691-C695 PolarHBondContact O-N 3.44Å; A691-K696 HydrophobicContact CB-CB 4.26Å; A691-K696 WeakPolarHBondContact O-CA 3.44Å; A691-K696 WeakPolarHBondContact O-CB 3.42Å; A691-K696 PolarHBondContact O-N 2.88Å; A691-A700 HydrophobicContact CB-CB 4.01Å; A691-Y703 HydrophobicContact CB-CD2 4.11Å; A691-Y703 HydrophobicContact CB-CE2 4.05Å
692C90.4Very high90Very high44 Ų4462 Ų6230%0.29731%0.312SS..Hα-helixtrans-61.7-47.4173.2-78.80000111.7A688 E689 A694 C695 A700A688-C692 WeakPolarHBondContact O-CB 3.28Å; A688-C692 PolarHBondContact O-N 3.27Å; A688-C692 PolarHBondContact O-SG 2.87Å; E689-C692 WeakPolarHBondContact O-CB 3.47Å; E689-C692 PolarHBondContact O-N 3.2Å; C692-A694 PolarHBondContact O-N 3.15Å; C692-C695 PolarHBondContact O-N 3.13Å; C692-A700 WeakPolarHBondContact SG-CB 3.39Å
693K89.7Confident90.1Very high155 Ų15559.1 Ų59.167%0.67429%0.288SS*.Hα-helixtrans-59.3-34.1175.2-74.3176.9-175.5165.50112.3E689 A690 C695E689-K693 WeakPolarHBondContact O-CG 3.4Å; E689-K693 PolarHBondContact O-N 2.93Å; E689-K693 WeakPolarHBondContact OE1-CE 3.36Å; E689-K693 IonicContact OE1-NZ 3.79Å; E689-K693 PolarHBondContact OE1-NZ 2.69Å; A690-K693 PolarHBondContact O-N 3.06Å; K693-C695 VanDerWaalsContact C-N 3.28Å; K693-C695 PolarHBondContact O-N 3.09Å
694A89Confident90.1Very high46 Ų4658 Ų5838%0.3828%0.283SS..THydrogen-bonded Turntrans-84.27.5175.600000114.2F665 A690 A691 C692 K696F665-A694 HydrophobicContact CE2-CB 4.34Å; F665-A694 HydrophobicContact CZ-CB 3.87Å; A690-A694 WeakPolarHBondContact O-CB 3.28Å; A690-A694 PolarHBondContact O-N 2.75Å; A691-A694 CarbonylContact O-C 3.55Å; A691-A694 PolarHBondContact O-N 3.45Å; C692-A694 PolarHBondContact O-N 3.15Å; A694-K696 HydrophobicContact CB-CD 4.32Å; A694-K696 HydrophobicContact CB-CG 4.22Å; A694-K696 PolarHBondContact O-N 3.17Å
695C90Very high90Very high93 Ų9358.9 Ų58.963%0.62829%0.291SS*.THydrogen-bonded Turntrans56.228.6-175.8-61.30000114.3A691 C692 K693 F697A691-C695 PolarHBondContact O-N 3.44Å; C692-C695 PolarHBondContact O-N 3.13Å; K693-C695 VanDerWaalsContact C-N 3.28Å; K693-C695 PolarHBondContact O-N 3.09Å; C695-F697 HydrophobicContact CB-CE2 4.19Å; C695-F697 HydrophobicContact CB-CZ 4.37Å; C695-F697 PolarHBondContact O-N 2.9Å
696K88.8Confident89.7Confident83 Ų8359.3 Ų59.336%0.36129%0.291SS..  trans-97.156.9179.8-72.7-174.5-175.6177.40111.2F665 A691 A694 K698 Y699 A700F665-K696 HydrophobicContact CD2-CD 4.31Å; F665-K696 HydrophobicContact CE2-CD 4.16Å; F665-K696 VanDerWaalsContact CE2-NZ 3.27Å; A691-K696 HydrophobicContact CB-CB 4.26Å; A691-K696 WeakPolarHBondContact O-CA 3.44Å; A691-K696 WeakPolarHBondContact O-CB 3.42Å; A691-K696 PolarHBondContact O-N 2.88Å; A694-K696 HydrophobicContact CB-CD 4.32Å; A694-K696 HydrophobicContact CB-CG 4.22Å; A694-K696 PolarHBondContact O-N 3.17Å; K696-K698 VanDerWaalsContact C-N 3.29Å; K696-K698 PolarHBondContact O-N 2.97Å; K696-K698 VanDerWaalsContact O-N 3.14Å; K696-Y699 HydrophobicContact CB-CD2 4.01Å; K696-Y699 HydrophobicContact CD-CD2 4.23Å; K696-Y699 HydrophobicContact CG-CD2 4.44Å; K696-Y699 WeakPolarHBondContact O-CB 3.45Å; K696-Y699 PolarHBondContact O-N 2.95Å; K696-A700 PolarHBondContact O-N 2.81Å; K696-A700 VanDerWaalsContact O-N 3.11Å
697F88.6Confident89.6Confident117 Ų11756 Ų5651%0.51328%0.276SS..Hα-helixtrans-57.8-33.1-169.7-57.1-65.9000115.1C695 Y699 A700 E701 L716C695-F697 HydrophobicContact CB-CE2 4.19Å; C695-F697 HydrophobicContact CB-CZ 4.37Å; C695-F697 PolarHBondContact O-N 2.9Å; F697-Y699 VanDerWaalsContact C-N 3.3Å; F697-Y699 PolarHBondContact O-N 2.98Å; F697-A700 PolarHBondContact O-N 3.06Å; F697-E701 PolarHBondContact O-N 3.02Å; F697-L716 HydrophobicContact CD1-CD2 4.17Å
698K87.5Confident89.4Confident157 Ų15759.7 Ų59.768%0.68330%0.295SS*.Hα-helixtrans-62.2-38.1175.8-173.7177.1-179.3179.40112.5K696 Q702K696-K698 VanDerWaalsContact C-N 3.29Å; K696-K698 PolarHBondContact O-N 2.97Å; K696-K698 VanDerWaalsContact O-N 3.14Å; K698-Q702 PolarHBondContact O-N 2.74Å
699Y88Confident89.4Confident113 Ų11361.3 Ų61.344%0.44330%0.304SS..Hα-helixtrans-73.8-40.3175.7-70.7-75.8000110.6K696 F697 E701 Q702 Y703K696-Y699 HydrophobicContact CB-CD2 4.01Å; K696-Y699 HydrophobicContact CD-CD2 4.23Å; K696-Y699 HydrophobicContact CG-CD2 4.44Å; K696-Y699 WeakPolarHBondContact O-CB 3.45Å; K696-Y699 PolarHBondContact O-N 2.95Å; F697-Y699 VanDerWaalsContact C-N 3.3Å; F697-Y699 PolarHBondContact O-N 2.98Å; Y699-E701 VanDerWaalsContact C-N 3.33Å; Y699-E701 PolarHBondContact O-N 2.86Å; Y699-Q702 PolarHBondContact O-N 2.91Å; Y699-Q702 VanDerWaalsContact O-N 3.15Å; Y699-Y703 WeakPolarHBondContact CD1-OH 3.33Å; Y699-Y703 WeakPolarHBondContact O-CB 3.25Å; Y699-Y703 WeakPolarHBondContact O-CD2 3.41Å; Y699-Y703 PolarHBondContact O-N 2.82Å
700A90.5Very high89.4Confident0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-58.1-43.6174.800000112.3A691 C692 K696 F697 Y703 L704 L716A691-A700 HydrophobicContact CB-CB 4.01Å; C692-A700 WeakPolarHBondContact SG-CB 3.39Å; K696-A700 PolarHBondContact O-N 2.81Å; K696-A700 VanDerWaalsContact O-N 3.11Å; F697-A700 PolarHBondContact O-N 3.06Å; A700-Y703 PolarHBondContact O-N 2.85Å; A700-L704 WeakPolarHBondContact O-CB 3.25Å; A700-L704 WeakPolarHBondContact O-CG 3.19Å; A700-L704 PolarHBondContact O-N 2.96Å; A700-L716 HydrophobicContact CB-CD1 4.2Å
701E90Very high89.5Confident47 Ų4757.9 Ų57.922%0.2229%0.292CS..Hα-helixtrans-58.6-48173.3-175.9-177.2149.500111.3F697 Y699 Y703 L704 S705 L716 N722 L725F697-E701 PolarHBondContact O-N 3.02Å; Y699-E701 VanDerWaalsContact C-N 3.33Å; Y699-E701 PolarHBondContact O-N 2.86Å; E701-Y703 VanDerWaalsContact C-N 3.33Å; E701-Y703 PolarHBondContact O-N 2.83Å; E701-L704 PolarHBondContact O-N 3.47Å; E701-S705 WeakPolarHBondContact O-CB 3.41Å; E701-S705 PolarHBondContact O-N 2.66Å; E701-S705 PolarHBondContact O-OG 3.24Å; E701-L716 HydrophobicContact CB-CD1 4.41Å; E701-N722 PolarHBondContact OE1-ND2 2.79Å; E701-L725 HydrophobicContact CG-CD2 3.83Å
702Q87.9Confident89.6Confident53 Ų5360 Ų6025%0.24831%0.306CS..Hα-helixtrans-63.3-36.6178.6-176.1-179.4800113.1K698 Y699 S705K698-Q702 PolarHBondContact O-N 2.74Å; Y699-Q702 PolarHBondContact O-N 2.91Å; Y699-Q702 VanDerWaalsContact O-N 3.15Å; Q702-S705 PolarHBondContact O-OG 2.89Å
703Y90.5Very high89.7Confident2 Ų257.9 Ų57.91%0.00829%0.292CS..Hα-helixtrans-75.5-44.7-180-59.1-29000111Q669 W684 L687 A691 Y699 A700 E701 S705 R706Q669-Y703 HydrophobicContact CB-CE1 4.43Å; Q669-Y703 HydrophobicContact CG-CE1 4.21Å; W684-Y703 AromaticContact CE3-CD1 3.91Å; W684-Y703 HydrophobicContact CE3-CD1 3.91Å; W684-Y703 HydrophobicContact CE3-CG 4.27Å; W684-Y703 AromaticContact CZ3-CD1 3.65Å; W684-Y703 HydrophobicContact CZ3-CD1 3.65Å; W684-Y703 HydrophobicContact CZ3-CE1 4.14Å; W684-Y703 HydrophobicContact CZ3-CG 4.44Å; L687-Y703 HydrophobicContact CB-CD2 3.89Å; L687-Y703 HydrophobicContact CB-CE2 4.32Å; L687-Y703 HydrophobicContact CB-CG 4.24Å; L687-Y703 HydrophobicContact CD2-CD2 3.89Å; L687-Y703 HydrophobicContact CD2-CE1 4.34Å; L687-Y703 HydrophobicContact CD2-CE2 3.43Å; L687-Y703 VanDerWaalsContact CD2-CE2 3.43Å; L687-Y703 HydrophobicContact CG-CE2 4.49Å; A691-Y703 HydrophobicContact CB-CD2 4.11Å; A691-Y703 HydrophobicContact CB-CE2 4.05Å; Y699-Y703 WeakPolarHBondContact CD1-OH 3.33Å; Y699-Y703 WeakPolarHBondContact O-CB 3.25Å; Y699-Y703 WeakPolarHBondContact O-CD2 3.41Å; Y699-Y703 PolarHBondContact O-N 2.82Å; A700-Y703 PolarHBondContact O-N 2.85Å; E701-Y703 VanDerWaalsContact C-N 3.33Å; E701-Y703 PolarHBondContact O-N 2.83Å; Y703-S705 VanDerWaalsContact C-N 3.3Å; Y703-S705 PolarHBondContact O-N 2.87Å; Y703-R706 WeakPolarHBondContact O-CB 3.17Å; Y703-R706 PolarHBondContact O-N 2.86Å; Y703-R706 VanDerWaalsContact O-N 3.09Å
704L90.7Very high89.9Confident10 Ų1052.1 Ų52.15%0.05227%0.268CS..Hα-helixtrans-66.3-30.9176.6-70.9166.4000112.5A688 A700 E701 R706 T707 D709 L713 L716A688-L704 HydrophobicContact CB-CD1 4.25Å; A688-L704 HydrophobicContact CB-CD2 3.7Å; A688-L704 HydrophobicContact CB-CG 3.53Å; A700-L704 WeakPolarHBondContact O-CB 3.25Å; A700-L704 WeakPolarHBondContact O-CG 3.19Å; A700-L704 PolarHBondContact O-N 2.96Å; E701-L704 PolarHBondContact O-N 3.47Å; L704-R706 PolarHBondContact O-N 3.02Å; L704-T707 WeakPolarHBondContact O-CA 3.38Å; L704-T707 PolarHBondContact O-N 3.28Å; L704-T707 PolarHBondContact O-OG1 3.08Å; L704-D709 HydrophobicContact CD2-CB 4.37Å; L704-L713 HydrophobicContact CB-CD1 4.3Å; L704-L713 HydrophobicContact CB-CD2 3.53Å; L704-L713 HydrophobicContact CB-CG 3.63Å; L704-L716 HydrophobicContact CD1-CD1 3.63Å
705S88.2Confident90.1Very high30 Ų3055.4 Ų55.421%0.2128%0.279CS..THydrogen-bonded Turntrans-64.6-9.4174.771.40000113.6E701 Q702 Y703E701-S705 WeakPolarHBondContact O-CB 3.41Å; E701-S705 PolarHBondContact O-N 2.66Å; E701-S705 PolarHBondContact O-OG 3.24Å; Q702-S705 PolarHBondContact O-OG 2.89Å; Y703-S705 VanDerWaalsContact C-N 3.3Å; Y703-S705 PolarHBondContact O-N 2.87Å
706R86.2Confident90.1Very high89 Ų8952.4 Ų52.434%0.33626%0.256SS..THydrogen-bonded Turntrans-93.73.1171.8-58.8-64.9-176.2138.5-3.3112.9W684 Y703 L704 L880W684-R706 HydrophobicContact CD2-CB 4.1Å; W684-R706 HydrophobicContact CD2-CG 4.49Å; W684-R706 HydrophobicContact CG-CB 4.09Å; Y703-R706 WeakPolarHBondContact O-CB 3.17Å; Y703-R706 PolarHBondContact O-N 2.86Å; Y703-R706 VanDerWaalsContact O-N 3.09Å; L704-R706 PolarHBondContact O-N 3.02Å; R706-L880 PolarHBondContact NH2-O 2.68Å
707T88.5Confident90.1Very high7 Ų748.4 Ų48.44%0.04324%0.239CC..SBendtrans-122.2161.9-178.771.90000110.2E681 W684 K685 L704 D709E681-T707 HydrophobicContact CG-CG2 3.87Å; W684-T707 HydrophobicContact CB-CG2 3.48Å; W684-T707 VanDerWaalsContact CB-CG2 3.48Å; W684-T707 HydrophobicContact CG-CG2 4.44Å; K685-T707 HydrophobicContact CG-CG2 4.01Å; L704-T707 WeakPolarHBondContact O-CA 3.38Å; L704-T707 PolarHBondContact O-N 3.28Å; L704-T707 PolarHBondContact O-OG1 3.08Å; T707-D709 PolarHBondContact O-N 2.81Å; T707-D709 WeakPolarHBondContact OG1-CB 3.4Å; T707-D709 PolarHBondContact OG1-N 3.17Å
708D88.2Confident90.2Very high76 Ų7645.8 Ų45.841%0.40623%0.232SC..SBendtrans-86.120.7172-77.9-31.7000111.6Y710 K736D708-Y710 VanDerWaalsContact C-N 3.31Å; D708-Y710 HydrophobicContact CB-CE2 3.94Å; D708-Y710 WeakPolarHBondContact O-CD2 3.42Å; D708-Y710 WeakPolarHBondContact O-CE2 3.34Å; D708-Y710 PolarHBondContact O-N 2.82Å; D708-Y710 VanDerWaalsContact O-N 3.07Å; D708-Y710 PolarHBondContact OD1-OH 2.81Å; D708-K736 IonicContact OD1-NZ 2.66Å; D708-K736 PolarHBondContact OD1-NZ 3.15Å; D708-K736 IonicContact OD2-NZ 3.6Å; D708-K736 PolarHBondContact OD2-NZ 3.37Å; D708-K736 VanDerWaalsContact OD2-NZ 3.12Å
709D90.9Very high90.2Very high37 Ų3742.9 Ų42.920%0.19823%0.232CC..  trans-84.670.6174.7-172.60.3000112.1L704 T707 A711 S712 L713L704-D709 HydrophobicContact CD2-CB 4.37Å; T707-D709 PolarHBondContact O-N 2.81Å; T707-D709 WeakPolarHBondContact OG1-CB 3.4Å; T707-D709 PolarHBondContact OG1-N 3.17Å; D709-A711 PolarHBondContact O-N 3.4Å; D709-A711 PolarHBondContact OD1-N 2.91Å; D709-S712 VanDerWaalsContact CG-CB 3.5Å; D709-S712 VanDerWaalsContact CG-OG 3.24Å; D709-S712 PolarHBondContact OD1-N 2.86Å; D709-S712 PolarHBondContact OD1-OG 3.4Å; D709-S712 WeakPolarHBondContact OD2-CB 3.35Å; D709-S712 PolarHBondContact OD2-OG 2.8Å; D709-L713 PolarHBondContact O-N 2.95Å
710Y93.2Very high90.1Very high10 Ų1040.7 Ų40.74%0.03923%0.233CC..Hα-helixtrans-64.3-23.3177.1-58-71.3000112.9D708 M714 W728 I729 E732 A733 K736D708-Y710 VanDerWaalsContact C-N 3.31Å; D708-Y710 HydrophobicContact CB-CE2 3.94Å; D708-Y710 WeakPolarHBondContact O-CD2 3.42Å; D708-Y710 WeakPolarHBondContact O-CE2 3.34Å; D708-Y710 PolarHBondContact O-N 2.82Å; D708-Y710 VanDerWaalsContact O-N 3.07Å; D708-Y710 PolarHBondContact OD1-OH 2.81Å; Y710-M714 WeakPolarHBondContact O-CB 3.31Å; Y710-M714 PolarHBondContact O-N 3.22Å; Y710-W728 HydrophobicContact CE1-CH2 4.36Å; Y710-W728 HydrophobicContact CE1-CZ3 4.36Å; Y710-I729 HydrophobicContact CD1-CG2 4.37Å; Y710-E732 HydrophobicContact CE1-CB 3.74Å; Y710-A733 HydrophobicContact CD1-CB 4.44Å; Y710-A733 HydrophobicContact CD2-CB 4.34Å; Y710-A733 HydrophobicContact CG-CB 4.14Å; Y710-K736 HydrophobicContact CE2-CB 4.35Å; Y710-K736 HydrophobicContact CE2-CG 4.31Å
711A93.3Very high89.6Confident47 Ų4743.3 Ų43.339%0.38826%0.26SS..Hα-helixtrans-69.7-49.9179.900000110.9D709 L713 M714 L715 I741D709-A711 PolarHBondContact O-N 3.4Å; D709-A711 PolarHBondContact OD1-N 2.91Å; A711-L713 VanDerWaalsContact C-N 3.33Å; A711-L713 PolarHBondContact O-N 2.87Å; A711-M714 PolarHBondContact O-N 2.79Å; A711-L715 PolarHBondContact O-N 3.09Å; A711-I741 HydrophobicContact CB-CD1 3.84Å
712S92.6Very high89.4Confident44 Ų4442.1 Ų42.131%0.30826%0.255SS..Hα-helixtrans-63.8-39.1176.2-650000111.9D709 L715 L716D709-S712 VanDerWaalsContact CG-CB 3.5Å; D709-S712 VanDerWaalsContact CG-OG 3.24Å; D709-S712 PolarHBondContact OD1-N 2.86Å; D709-S712 PolarHBondContact OD1-OG 3.4Å; D709-S712 WeakPolarHBondContact OD2-CB 3.35Å; D709-S712 PolarHBondContact OD2-OG 2.8Å; S712-L715 PolarHBondContact O-N 2.96Å; S712-L716 PolarHBondContact O-N 3.4Å
713L92.4Very high89.3Confident0 Ų043.3 Ų43.30%026%0.258CS..Hα-helixtrans-62.8-43.2173.3-78.7168.4000112.3L704 D709 A711 L715 L716 A717 W728 I729L704-L713 HydrophobicContact CB-CD1 4.3Å; L704-L713 HydrophobicContact CB-CD2 3.53Å; L704-L713 HydrophobicContact CB-CG 3.63Å; D709-L713 PolarHBondContact O-N 2.95Å; A711-L713 VanDerWaalsContact C-N 3.33Å; A711-L713 PolarHBondContact O-N 2.87Å; L713-L715 VanDerWaalsContact C-N 3.29Å; L713-L715 PolarHBondContact O-N 3.35Å; L713-L716 PolarHBondContact O-N 2.8Å; L713-A717 VanDerWaalsContact O-CB 3.31Å; L713-A717 WeakPolarHBondContact O-CB 3.25Å; L713-A717 PolarHBondContact O-N 3.48Å; L713-W728 HydrophobicContact CD1-CZ3 4Å; L713-I729 HydrophobicContact CB-CD1 3.76Å; L713-I729 HydrophobicContact CB-CG1 4.2Å
714M93.1Very high89.1Confident34 Ų3446.9 Ų46.917%0.16727%0.273CS..Hα-helixtrans-63.1-38.5177.7-175.9177.166.700110.9Y710 A711 A717 T718 L726 I729 I741 L744Y710-M714 WeakPolarHBondContact O-CB 3.31Å; Y710-M714 PolarHBondContact O-N 3.22Å; A711-M714 PolarHBondContact O-N 2.79Å; M714-A717 PolarHBondContact O-N 3.2Å; M714-T718 HydrophobicContact CG-CG2 4.22Å; M714-T718 WeakPolarHBondContact O-CB 3.5Å; M714-T718 VanDerWaalsContact O-CG2 3.32Å; M714-T718 WeakPolarHBondContact O-CG2 3.48Å; M714-T718 PolarHBondContact O-N 2.76Å; M714-T718 PolarHBondContact O-OG1 3.16Å; M714-L726 HydrophobicContact CG-CD2 3.9Å; M714-I729 HydrophobicContact CB-CD1 4.26Å; M714-I741 HydrophobicContact SD-CG2 4.13Å; M714-L744 HydrophobicContact CE-CD1 4.39Å; M714-L744 HydrophobicContact SD-CB 4.11Å
715L92.8Very high89.1Confident115 Ų11546.6 Ų46.660%0.60227%0.271SS*.Hα-helixtrans-62.6-43.7175.2-171.765.9000111.7A711 S712 L713 T718 S719A711-L715 PolarHBondContact O-N 3.09Å; S712-L715 PolarHBondContact O-N 2.96Å; L713-L715 VanDerWaalsContact C-N 3.29Å; L713-L715 PolarHBondContact O-N 3.35Å; L715-T718 PolarHBondContact O-OG1 3.07Å; L715-T718 VanDerWaalsContact O-OG1 3.12Å; L715-S719 VanDerWaalsContact O-CB 3.22Å; L715-S719 WeakPolarHBondContact O-CB 3.26Å; L715-S719 PolarHBondContact O-N 2.83Å; L715-S719 VanDerWaalsContact O-N 3.07Å; L715-S719 PolarHBondContact O-OG 2.8Å
716L90.2Very high89.2Confident29 Ų2945.8 Ų45.815%0.15227%0.265CS..Hα-helixtrans-64.9-42.6174.3-72.6178.5000111.9F697 A700 E701 L704 S712 L713 S719 S720F697-L716 HydrophobicContact CD1-CD2 4.17Å; A700-L716 HydrophobicContact CB-CD1 4.2Å; E701-L716 HydrophobicContact CB-CD1 4.41Å; L704-L716 HydrophobicContact CD1-CD1 3.63Å; S712-L716 PolarHBondContact O-N 3.4Å; L713-L716 PolarHBondContact O-N 2.8Å; L716-S719 PolarHBondContact O-N 2.94Å; L716-S720 WeakPolarHBondContact O-CB 3.42Å; L716-S720 PolarHBondContact O-N 2.82Å; L716-S720 PolarHBondContact O-OG 3.07Å
717A89.8Confident89.5Confident0 Ų044.9 Ų44.90%026%0.264CS..Hα-helixtrans-66.7-45.6-177.400000111.9L713 M714 S720 G721 N722 L725 L726 I729L713-A717 VanDerWaalsContact O-CB 3.31Å; L713-A717 WeakPolarHBondContact O-CB 3.25Å; L713-A717 PolarHBondContact O-N 3.48Å; M714-A717 PolarHBondContact O-N 3.2Å; A717-S720 PolarHBondContact O-N 3.04Å; A717-S720 PolarHBondContact O-OG 3.48Å; A717-G721 CarbonylContact O-C 3.6Å; A717-G721 PolarHBondContact O-N 3.42Å; A717-N722 PolarHBondContact O-N 3.18Å; A717-L725 HydrophobicContact CB-CB 4.1Å; A717-L725 HydrophobicContact CB-CD2 3.63Å; A717-L725 HydrophobicContact CB-CG 3.8Å; A717-L726 HydrophobicContact CB-CD2 3.82Å; A717-L726 HydrophobicContact CB-CG 3.74Å; A717-I729 HydrophobicContact CB-CD1 4.06Å
718T90.2Very high89.7Confident61 Ų6147.1 Ų47.137%0.37427%0.272SS..Hα-helixtrans-65.4-42.6176.551.60000111.7M714 L715 S720 G721 L726 L748M714-T718 HydrophobicContact CG-CG2 4.22Å; M714-T718 WeakPolarHBondContact O-CB 3.5Å; M714-T718 VanDerWaalsContact O-CG2 3.32Å; M714-T718 WeakPolarHBondContact O-CG2 3.48Å; M714-T718 PolarHBondContact O-N 2.76Å; M714-T718 PolarHBondContact O-OG1 3.16Å; L715-T718 PolarHBondContact O-OG1 3.07Å; L715-T718 VanDerWaalsContact O-OG1 3.12Å; T718-S720 VanDerWaalsContact C-N 3.32Å; T718-S720 PolarHBondContact O-N 2.79Å; T718-G721 PolarHBondContact O-N 3.37Å; T718-L726 HydrophobicContact CG2-CD1 4.25Å; T718-L726 HydrophobicContact CG2-CD2 3.99Å; T718-L748 HydrophobicContact CG2-CD1 3.73Å
719S88.3Confident90Very high96 Ų9643.5 Ų43.567%0.67125%0.253SS*.Hα-helixtrans-65.7-34.2179-60.10000113L715 L716L715-S719 VanDerWaalsContact O-CB 3.22Å; L715-S719 WeakPolarHBondContact O-CB 3.26Å; L715-S719 PolarHBondContact O-N 2.83Å; L715-S719 VanDerWaalsContact O-N 3.07Å; L715-S719 PolarHBondContact O-OG 2.8Å; L716-S719 PolarHBondContact O-N 2.94Å
720S84.5Confident90.1Very high68 Ų6841.8 Ų41.848%0.47624%0.243SC..Hα-helixtrans-89.3-9.6178.7590000114.1L716 A717 T718 N722L716-S720 WeakPolarHBondContact O-CB 3.42Å; L716-S720 PolarHBondContact O-N 2.82Å; L716-S720 PolarHBondContact O-OG 3.07Å; A717-S720 PolarHBondContact O-N 3.04Å; A717-S720 PolarHBondContact O-OG 3.48Å; T718-S720 VanDerWaalsContact C-N 3.32Å; T718-S720 PolarHBondContact O-N 2.79Å; S720-N722 VanDerWaalsContact C-N 3.26Å; S720-N722 PolarHBondContact O-N 2.86Å; S720-N722 WeakPolarHBondContact OG-CB 3.48Å
721G80.8Confident90.1Very high55 Ų5547.2 Ų47.257%0.56727%0.267SS*.THydrogen-bonded Turntrans66.825.6-170.900000113.4A717 T718 R723A717-G721 CarbonylContact O-C 3.6Å; A717-G721 PolarHBondContact O-N 3.42Å; T718-G721 PolarHBondContact O-N 3.37Å; G721-R723 PolarHBondContact O-N 2.71Å
722N85.5Confident90.1Very high22 Ų2248.1 Ų48.112%0.11826%0.264CS..  trans-80.787.3-177.9-171.9-13.4000111.1E701 A717 S720 K724 L725 L726E701-N722 PolarHBondContact OE1-ND2 2.79Å; A717-N722 PolarHBondContact O-N 3.18Å; S720-N722 VanDerWaalsContact C-N 3.26Å; S720-N722 PolarHBondContact O-N 2.86Å; S720-N722 WeakPolarHBondContact OG-CB 3.48Å; N722-K724 PolarHBondContact O-N 2.72Å; N722-K724 PolarHBondContact OD1-N 3.41Å; N722-L725 HydrophobicContact CB-CB 4.08Å; N722-L725 VanDerWaalsContact CG-CB 3.44Å; N722-L725 PolarHBondContact O-N 2.83Å; N722-L725 PolarHBondContact OD1-N 3.49Å; N722-L725 VanDerWaalsContact OD1-N 3.13Å; N722-L726 PolarHBondContact O-N 3.46Å; N722-L726 VanDerWaalsContact O-N 3.14Å
723R84.6Confident90.2Very high78 Ų7846 Ų4629%0.29425%0.249SC..Hα-helixtrans-59.2-44.4179.9179.6-179.1173.1162.39.8113.4G721 L725 L726 E727 V749 L836G721-R723 PolarHBondContact O-N 2.71Å; R723-L725 PolarHBondContact O-N 3.06Å; R723-L726 WeakPolarHBondContact O-CB 3.48Å; R723-L726 PolarHBondContact O-N 3.15Å; R723-L726 VanDerWaalsContact O-N 3.1Å; R723-E727 HydrophobicContact CG-CG 4.43Å; R723-E727 IonicContact CZ-OE1 3.41Å; R723-E727 IonicContact NE-OE1 2.81Å; R723-E727 PolarHBondContact NE-OE1 2.86Å; R723-E727 IonicContact NH2-OE1 2.87Å; R723-E727 PolarHBondContact NH2-OE1 3.17Å; R723-E727 PolarHBondContact O-N 3.04Å; R723-V749 HydrophobicContact CG-CG1 4.1Å; R723-L836 VanDerWaalsContact CZ-CD2 3.47Å; R723-L836 VanDerWaalsContact NH1-CB 3.33Å
724K88.2Confident90.2Very high76 Ų7647.1 Ų47.133%0.3326%0.258SS..Hα-helixtrans-60.2-39.3-178.6-70.1176-177.6165.80111.2N722 E727 W728 D872 F876N722-K724 PolarHBondContact O-N 2.72Å; N722-K724 PolarHBondContact OD1-N 3.41Å; K724-E727 PolarHBondContact O-N 2.82Å; K724-W728 PolarHBondContact O-N 2.94Å; K724-D872 PolarHBondContact NZ-O 3.05Å; K724-F876 HydrophobicContact CB-CB 4.36Å; K724-F876 HydrophobicContact CB-CD1 4.21Å; K724-F876 HydrophobicContact CB-CG 4.21Å; K724-F876 HydrophobicContact CD-CB 3.87Å; K724-F876 HydrophobicContact CD-CD1 4.25Å; K724-F876 HydrophobicContact CD-CG 4.37Å
725L89Confident90.1Very high4 Ų450.5 Ų50.52%0.02128%0.281CS..Hα-helixtrans-66.8-42.5174.9-178.660.2000111.7E701 A717 N722 R723 E727 W728 I729E701-L725 HydrophobicContact CG-CD2 3.83Å; A717-L725 HydrophobicContact CB-CB 4.1Å; A717-L725 HydrophobicContact CB-CD2 3.63Å; A717-L725 HydrophobicContact CB-CG 3.8Å; N722-L725 HydrophobicContact CB-CB 4.08Å; N722-L725 VanDerWaalsContact CG-CB 3.44Å; N722-L725 PolarHBondContact O-N 2.83Å; N722-L725 PolarHBondContact OD1-N 3.49Å; N722-L725 VanDerWaalsContact OD1-N 3.13Å; R723-L725 PolarHBondContact O-N 3.06Å; L725-E727 PolarHBondContact O-N 2.86Å; L725-W728 HydrophobicContact CD1-CE3 4Å; L725-W728 PolarHBondContact O-N 2.97Å; L725-I729 HydrophobicContact CD1-CD1 4.29Å; L725-I729 HydrophobicContact CD1-CG1 4.31Å; L725-I729 HydrophobicContact CG-CD1 3.9Å; L725-I729 HydrophobicContact CG-CG1 4.4Å; L725-I729 VanDerWaalsContact O-CG1 3.23Å; L725-I729 WeakPolarHBondContact O-CG1 3.17Å; L725-I729 PolarHBondContact O-N 3.28Å
726L90.9Very high89.9Confident14 Ų1450.6 Ų50.67%0.07328%0.276CS..Hα-helixtrans-61.1-40.9174.2-75.5171.2000112.8M714 A717 T718 N722 R723 W728 I729 G730 A745 V749M714-L726 HydrophobicContact CG-CD2 3.9Å; A717-L726 HydrophobicContact CB-CD2 3.82Å; A717-L726 HydrophobicContact CB-CG 3.74Å; T718-L726 HydrophobicContact CG2-CD1 4.25Å; T718-L726 HydrophobicContact CG2-CD2 3.99Å; N722-L726 PolarHBondContact O-N 3.46Å; N722-L726 VanDerWaalsContact O-N 3.14Å; R723-L726 WeakPolarHBondContact O-CB 3.48Å; R723-L726 PolarHBondContact O-N 3.15Å; R723-L726 VanDerWaalsContact O-N 3.1Å; L726-W728 VanDerWaalsContact C-N 3.32Å; L726-W728 PolarHBondContact O-N 3.34Å; L726-I729 PolarHBondContact O-N 3.14Å; L726-G730 PolarHBondContact O-N 3.05Å; L726-A745 HydrophobicContact CD2-CB 4.47Å; L726-V749 HydrophobicContact CB-CG1 3.48Å; L726-V749 VanDerWaalsContact CB-CG1 3.48Å; L726-V749 HydrophobicContact CD1-CG1 4.19Å; L726-V749 HydrophobicContact CG-CG1 4.48Å
727E92.4Very high89.9Confident69 Ų6951.8 Ų51.832%0.32230%0.295SS..Hα-helixtrans-62.9-39175.1-73.2177.2-174.500111.9R723 K724 L725 K731 V749R723-E727 HydrophobicContact CG-CG 4.43Å; R723-E727 IonicContact CZ-OE1 3.41Å; R723-E727 IonicContact NE-OE1 2.81Å; R723-E727 PolarHBondContact NE-OE1 2.86Å; R723-E727 IonicContact NH2-OE1 2.87Å; R723-E727 PolarHBondContact NH2-OE1 3.17Å; R723-E727 PolarHBondContact O-N 3.04Å; K724-E727 PolarHBondContact O-N 2.82Å; L725-E727 PolarHBondContact O-N 2.86Å; E727-K731 WeakPolarHBondContact O-CG 3.48Å; E727-K731 PolarHBondContact O-N 3.41Å; E727-V749 HydrophobicContact CG-CB 4.12Å; E727-V749 HydrophobicContact CG-CG1 4.04Å; E727-V749 HydrophobicContact CG-CG2 4Å
728W93.6Very high90Very high55 Ų5554.5 Ų54.521%0.20831%0.31CS..Hα-helixtrans-67.1-47.6174.7179.581.1000111.6Y710 L713 K724 L725 L726 G730 K731 E732 I881Y710-W728 HydrophobicContact CE1-CH2 4.36Å; Y710-W728 HydrophobicContact CE1-CZ3 4.36Å; L713-W728 HydrophobicContact CD1-CZ3 4Å; K724-W728 PolarHBondContact O-N 2.94Å; L725-W728 HydrophobicContact CD1-CE3 4Å; L725-W728 PolarHBondContact O-N 2.97Å; L726-W728 VanDerWaalsContact C-N 3.32Å; L726-W728 PolarHBondContact O-N 3.34Å; W728-G730 VanDerWaalsContact C-N 3.32Å; W728-G730 PolarHBondContact O-N 3.24Å; W728-K731 PolarHBondContact O-N 3.24Å; W728-K731 VanDerWaalsContact O-N 3.11Å; W728-E732 HydrophobicContact CD2-CG 4.06Å; W728-E732 HydrophobicContact CG-CG 4.47Å; W728-E732 HydrophobicContact CH2-CG 4.3Å; W728-E732 HydrophobicContact CZ2-CB 4.46Å; W728-E732 HydrophobicContact CZ2-CG 3.68Å; W728-E732 PolarHBondContact O-N 2.93Å; W728-I881 HydrophobicContact CZ2-CD1 4.44Å
729I93.9Very high90.1Very high0 Ų054.8 Ų54.80%031%0.309CS..Hα-helixtrans-56.7-46.8175.9-67.2162.9000110.3Y710 L713 M714 A717 L725 L726 K731 E732 A733 I741 A745Y710-I729 HydrophobicContact CD1-CG2 4.37Å; L713-I729 HydrophobicContact CB-CD1 3.76Å; L713-I729 HydrophobicContact CB-CG1 4.2Å; M714-I729 HydrophobicContact CB-CD1 4.26Å; A717-I729 HydrophobicContact CB-CD1 4.06Å; L725-I729 HydrophobicContact CD1-CD1 4.29Å; L725-I729 HydrophobicContact CD1-CG1 4.31Å; L725-I729 HydrophobicContact CG-CD1 3.9Å; L725-I729 HydrophobicContact CG-CG1 4.4Å; L725-I729 VanDerWaalsContact O-CG1 3.23Å; L725-I729 WeakPolarHBondContact O-CG1 3.17Å; L725-I729 PolarHBondContact O-N 3.28Å; L726-I729 PolarHBondContact O-N 3.14Å; I729-K731 PolarHBondContact O-N 2.79Å; I729-E732 PolarHBondContact O-N 3.48Å; I729-A733 WeakPolarHBondContact O-CB 3.39Å; I729-A733 PolarHBondContact O-N 2.59Å; I729-I741 HydrophobicContact CG2-CG2 3.88Å; I729-A745 HydrophobicContact CB-CB 4.42Å; I729-A745 HydrophobicContact CG2-CB 4.06Å
730G93.6Very high90.4Very high0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-63.7-22.8-179.600000114.4L726 W728 R746L726-G730 PolarHBondContact O-N 3.05Å; W728-G730 VanDerWaalsContact C-N 3.32Å; W728-G730 PolarHBondContact O-N 3.24Å; G730-R746 PolarHBondContact O-NE 3.24Å
731K93.2Very high90.9Very high125 Ų12553.6 Ų53.654%0.54329%0.289SS..Hα-helixtrans-87.4-50.4174.3-71.9175.6-176.5174.70111.7E727 W728 I729 A734 T735E727-K731 WeakPolarHBondContact O-CG 3.48Å; E727-K731 PolarHBondContact O-N 3.41Å; W728-K731 PolarHBondContact O-N 3.24Å; W728-K731 VanDerWaalsContact O-N 3.11Å; I729-K731 PolarHBondContact O-N 2.79Å; K731-A734 WeakPolarHBondContact O-CB 3.36Å; K731-A734 PolarHBondContact O-N 2.8Å; K731-T735 WeakPolarHBondContact O-CG2 3.2Å; K731-T735 PolarHBondContact O-N 2.86Å; K731-T735 VanDerWaalsContact O-N 3.07Å
732E93.1Very high91.6Very high66 Ų6651 Ų5131%0.30826%0.262SS..Hα-helixtrans-68.3-39.4-178.5-70.9-60.2139.500112.7Y710 W728 I729 A734 T735 K736Y710-E732 HydrophobicContact CE1-CB 3.74Å; W728-E732 HydrophobicContact CD2-CG 4.06Å; W728-E732 HydrophobicContact CG-CG 4.47Å; W728-E732 HydrophobicContact CH2-CG 4.3Å; W728-E732 HydrophobicContact CZ2-CB 4.46Å; W728-E732 HydrophobicContact CZ2-CG 3.68Å; W728-E732 PolarHBondContact O-N 2.93Å; I729-E732 PolarHBondContact O-N 3.48Å; E732-A734 PolarHBondContact O-N 3.16Å; E732-T735 WeakPolarHBondContact CA-OG1 3.31Å; E732-T735 PolarHBondContact O-N 3.04Å; E732-T735 PolarHBondContact O-OG1 2.74Å; E732-K736 WeakPolarHBondContact O-CB 3.38Å; E732-K736 VanDerWaalsContact O-CG 3.32Å; E732-K736 WeakPolarHBondContact O-CG 3.32Å; E732-K736 PolarHBondContact O-N 2.84Å
733A93.8Very high92.2Very high0 Ų052.4 Ų52.40%027%0.268CS..Hα-helixtrans-61.4-37.3174.400000111.1Y710 I729 K736 G737 N738 I741 A742Y710-A733 HydrophobicContact CD1-CB 4.44Å; Y710-A733 HydrophobicContact CD2-CB 4.34Å; Y710-A733 HydrophobicContact CG-CB 4.14Å; I729-A733 WeakPolarHBondContact O-CB 3.39Å; I729-A733 PolarHBondContact O-N 2.59Å; A733-K736 PolarHBondContact O-N 3Å; A733-G737 PolarHBondContact O-N 3.44Å; A733-N738 HydrophobicContact CB-CB 4.2Å; A733-N738 WeakPolarHBondContact O-CA 3.43Å; A733-N738 PolarHBondContact O-N 2.85Å; A733-I741 HydrophobicContact CB-CB 4.35Å; A733-I741 HydrophobicContact CB-CG2 4.27Å; A733-A742 HydrophobicContact CB-CB 3.85Å
734A91.8Very high92.7Very high23 Ų2352.7 Ų52.719%0.1928%0.275CS..Hα-helixtrans-67.1-43176.500000112.1K731 E732 K736 G737 A742 L758K731-A734 WeakPolarHBondContact O-CB 3.36Å; K731-A734 PolarHBondContact O-N 2.8Å; E732-A734 PolarHBondContact O-N 3.16Å; A734-K736 PolarHBondContact O-N 3.47Å; A734-G737 PolarHBondContact O-N 3.05Å; A734-A742 HydrophobicContact CB-CB 3.86Å; A734-L758 HydrophobicContact CB-CD2 3.84Å
735T91.4Very high93Very high105 Ų10549.1 Ų49.164%0.64426%0.259SS*.Hα-helixtrans-67-27.9178.656.60000112.3K731 E732K731-T735 WeakPolarHBondContact O-CG2 3.2Å; K731-T735 PolarHBondContact O-N 2.86Å; K731-T735 VanDerWaalsContact O-N 3.07Å; E732-T735 WeakPolarHBondContact CA-OG1 3.31Å; E732-T735 PolarHBondContact O-N 3.04Å; E732-T735 PolarHBondContact O-OG1 2.74Å
736K89.2Confident93.2Very high117 Ų11750.3 Ų50.351%0.50926%0.263SS..THydrogen-bonded Turntrans-89.80.8177.5-66.1-74-168.9137.40114.5D708 Y710 E732 A733 A734D708-K736 IonicContact OD1-NZ 2.66Å; D708-K736 PolarHBondContact OD1-NZ 3.15Å; D708-K736 IonicContact OD2-NZ 3.6Å; D708-K736 PolarHBondContact OD2-NZ 3.37Å; D708-K736 VanDerWaalsContact OD2-NZ 3.12Å; Y710-K736 HydrophobicContact CE2-CB 4.35Å; Y710-K736 HydrophobicContact CE2-CG 4.31Å; E732-K736 WeakPolarHBondContact O-CB 3.38Å; E732-K736 VanDerWaalsContact O-CG 3.32Å; E732-K736 WeakPolarHBondContact O-CG 3.32Å; E732-K736 PolarHBondContact O-N 2.84Å; A733-K736 PolarHBondContact O-N 3Å; A734-K736 PolarHBondContact O-N 3.47Å
737G89.6Confident93.4Very high53 Ų5352.9 Ų52.955%0.54627%0.274SS..THydrogen-bonded Turntrans76.717.1179.100000115.1A733 A734 D739A733-G737 PolarHBondContact O-N 3.44Å; A734-G737 PolarHBondContact O-N 3.05Å; G737-D739 VanDerWaalsContact C-N 3.3Å; G737-D739 PolarHBondContact O-N 3.28Å
738N92.5Very high93.2Very high58 Ų5854.1 Ų54.131%0.3128%0.283SS..  trans-90.866.7174.2-159.9-26.2000110.5A733 N740 I741 A742A733-N738 HydrophobicContact CB-CB 4.2Å; A733-N738 WeakPolarHBondContact O-CA 3.43Å; A733-N738 PolarHBondContact O-N 2.85Å; N738-N740 VanDerWaalsContact C-N 3.33Å; N738-N740 PolarHBondContact O-N 2.88Å; N738-I741 WeakPolarHBondContact ND2-CD1 3.46Å; N738-I741 PolarHBondContact O-N 3.24Å; N738-I741 WeakPolarHBondContact OD1-CG1 3.23Å; N738-A742 WeakPolarHBondContact O-CB 3.32Å; N738-A742 PolarHBondContact O-N 3.15Å
739D92.4Very high92.9Very high67 Ų6752 Ų5236%0.35828%0.276SS..Hα-helixtrans-63.1-34.5-166.5-68.4-21.2000113.6G737 A742 F743G737-D739 VanDerWaalsContact C-N 3.3Å; G737-D739 PolarHBondContact O-N 3.28Å; D739-A742 PolarHBondContact O-N 3.21Å; D739-F743 WeakPolarHBondContact O-CB 3.24Å; D739-F743 PolarHBondContact O-N 2.85Å
740N94.9Very high92.6Very high117 Ų11754.8 Ų54.863%0.62629%0.293SS*.Hα-helixtrans-64.8-46.3178.8-74.3-20.6000111.5N738 F743 L744N738-N740 VanDerWaalsContact C-N 3.33Å; N738-N740 PolarHBondContact O-N 2.88Å; N740-F743 PolarHBondContact O-N 3.29Å; N740-L744 WeakPolarHBondContact O-CB 3.24Å; N740-L744 WeakPolarHBondContact O-CG 3.29Å; N740-L744 PolarHBondContact O-N 3.11Å
741I95.4Very high92.5Very high21 Ų2157.4 Ų57.411%0.10831%0.307CS..Hα-helixtrans-68.6-41.4177.6-60.9-177.9000109.8A711 M714 I729 A733 N738 F743 L744 A745A711-I741 HydrophobicContact CB-CD1 3.84Å; M714-I741 HydrophobicContact SD-CG2 4.13Å; I729-I741 HydrophobicContact CG2-CG2 3.88Å; A733-I741 HydrophobicContact CB-CB 4.35Å; A733-I741 HydrophobicContact CB-CG2 4.27Å; N738-I741 WeakPolarHBondContact ND2-CD1 3.46Å; N738-I741 PolarHBondContact O-N 3.24Å; N738-I741 WeakPolarHBondContact OD1-CG1 3.23Å; I741-F743 PolarHBondContact O-N 3.32Å; I741-L744 PolarHBondContact O-N 3.14Å; I741-A745 VanDerWaalsContact O-CB 3.25Å; I741-A745 WeakPolarHBondContact O-CB 3.23Å; I741-A745 PolarHBondContact O-N 3.25Å
742A95.5Very high92.4Very high0 Ų051.9 Ų51.90%028%0.283CS..Hα-helixtrans-59.2-46.9176.500000111.8A733 A734 N738 D739 A745 R746 L758A733-A742 HydrophobicContact CB-CB 3.85Å; A734-A742 HydrophobicContact CB-CB 3.86Å; N738-A742 WeakPolarHBondContact O-CB 3.32Å; N738-A742 PolarHBondContact O-N 3.15Å; D739-A742 PolarHBondContact O-N 3.21Å; A742-A745 PolarHBondContact O-N 2.76Å; A742-R746 WeakPolarHBondContact O-CB 3.24Å; A742-R746 VanDerWaalsContact O-CG 3.3Å; A742-R746 WeakPolarHBondContact O-CG 3.47Å; A742-R746 PolarHBondContact O-N 3.49Å; A742-L758 HydrophobicContact CB-CD1 3.77Å
743F96.5Very high92.4Very high52 Ų5252.5 Ų52.523%0.22829%0.286CS..Hα-helixtrans-61.8-48.8178.5-176.8-87.1000111.1D739 N740 I741 R746 F747 C755 L758 L759 F771D739-F743 WeakPolarHBondContact O-CB 3.24Å; D739-F743 PolarHBondContact O-N 2.85Å; N740-F743 PolarHBondContact O-N 3.29Å; I741-F743 PolarHBondContact O-N 3.32Å; F743-R746 PolarHBondContact O-N 2.88Å; F743-F747 WeakPolarHBondContact O-CB 3.32Å; F743-F747 PolarHBondContact O-N 3.48Å; F743-C755 HydrophobicContact CD2-CB 3.87Å; F743-C755 HydrophobicContact CE2-CB 3.54Å; F743-C755 HydrophobicContact CZ-CB 4.2Å; F743-C755 PolarHBondContact O-SG 3.14Å; F743-L758 HydrophobicContact CB-CD1 4.21Å; F743-L759 HydrophobicContact CD2-CG 4.28Å; F743-L759 HydrophobicContact CE2-CD1 3.78Å; F743-L759 HydrophobicContact CE2-CD2 4.27Å; F743-L759 HydrophobicContact CE2-CG 3.85Å; F743-L759 HydrophobicContact CZ-CD1 4.42Å; F743-F771 HydrophobicContact CE2-CE2 4.35Å; F743-F771 HydrophobicContact CZ-CD2 4.09Å; F743-F771 AromaticContact CZ-CE2 3.8Å; F743-F771 HydrophobicContact CZ-CE2 3.8Å
744L95.5Very high92.4Very high85 Ų8552.7 Ų52.745%0.44529%0.288SS..Hα-helixtrans-61.9-45.8178.3-74.6170.9000111.9M714 N740 I741 F747 L748M714-L744 HydrophobicContact CE-CD1 4.39Å; M714-L744 HydrophobicContact SD-CB 4.11Å; N740-L744 WeakPolarHBondContact O-CB 3.24Å; N740-L744 WeakPolarHBondContact O-CG 3.29Å; N740-L744 PolarHBondContact O-N 3.11Å; I741-L744 PolarHBondContact O-N 3.14Å; L744-F747 PolarHBondContact O-N 3.34Å; L744-L748 WeakPolarHBondContact O-CB 3.4Å; L744-L748 WeakPolarHBondContact O-CG 3.21Å; L744-L748 PolarHBondContact O-N 3.4Å
745A95.2Very high92.6Very high0 Ų051.6 Ų51.60%028%0.279CS..Hα-helixtrans-62.6-47.1179.100000111.8L726 I729 I741 A742 L748 V749L726-A745 HydrophobicContact CD2-CB 4.47Å; I729-A745 HydrophobicContact CB-CB 4.42Å; I729-A745 HydrophobicContact CG2-CB 4.06Å; I741-A745 VanDerWaalsContact O-CB 3.25Å; I741-A745 WeakPolarHBondContact O-CB 3.23Å; I741-A745 PolarHBondContact O-N 3.25Å; A742-A745 PolarHBondContact O-N 2.76Å; A745-L748 PolarHBondContact O-N 2.76Å; A745-V749 WeakPolarHBondContact O-CG2 3.33Å; A745-V749 PolarHBondContact O-N 3.11Å
746R93.9Very high92.8Very high29 Ų2946.9 Ų46.911%0.10925%0.25CC..Hα-helixtrans-62.3-41.8175.4-72.6-174.2-173.4-160.2-9.2111.9G730 A742 F743 L748 V749 T750 D751 G754 E757G730-R746 PolarHBondContact O-NE 3.24Å; A742-R746 WeakPolarHBondContact O-CB 3.24Å; A742-R746 VanDerWaalsContact O-CG 3.3Å; A742-R746 WeakPolarHBondContact O-CG 3.47Å; A742-R746 PolarHBondContact O-N 3.49Å; F743-R746 PolarHBondContact O-N 2.88Å; R746-L748 PolarHBondContact O-N 2.74Å; R746-V749 VanDerWaalsContact O-CG2 3.25Å; R746-V749 WeakPolarHBondContact O-CG2 3.11Å; R746-V749 PolarHBondContact O-N 3.02Å; R746-T750 PolarHBondContact O-N 2.91Å; R746-D751 HydrophobicContact CB-CB 4.14Å; R746-D751 PolarHBondContact O-N 2.88Å; R746-G754 PolarHBondContact NH1-O 2.71Å; R746-E757 IonicContact NH1-OE2 2.96Å; R746-E757 PolarHBondContact NH1-OE2 3.04Å
747F93.1Very high93.1Very high68 Ų6846.2 Ų46.230%0.29825%0.248SC..Hα-helixtrans-63.5-43.4179-173.9-105.5000111.6F743 L744 V749 T750 L752 C755 F771 Y775F743-F747 WeakPolarHBondContact O-CB 3.32Å; F743-F747 PolarHBondContact O-N 3.48Å; L744-F747 PolarHBondContact O-N 3.34Å; F747-V749 VanDerWaalsContact C-N 3.31Å; F747-V749 PolarHBondContact O-N 2.8Å; F747-T750 WeakPolarHBondContact O-CA 3.35Å; F747-T750 PolarHBondContact O-N 3.26Å; F747-L752 HydrophobicContact CD2-CD2 3.95Å; F747-L752 HydrophobicContact CE2-CD2 3.96Å; F747-C755 VanDerWaalsContact CA-SG 3.58Å; F747-C755 PolarHBondContact N-SG 3.28Å; F747-F771 HydrophobicContact CD2-CE2 4.02Å; F747-F771 HydrophobicContact CD2-CZ 4.21Å; F747-F771 AromaticContact CE2-CE2 3.96Å; F747-F771 HydrophobicContact CE2-CE2 3.96Å; F747-F771 HydrophobicContact CE2-CZ 4.33Å; F747-Y775 HydrophobicContact CE2-CE1 4.33Å; F747-Y775 HydrophobicContact CE2-CE2 4.21Å; F747-Y775 AromaticContact CE2-CZ 4Å; F747-Y775 HydrophobicContact CZ-CE1 4.41Å
748L89.2Confident93.4Very high96 Ų9644.4 Ų44.450%0.50323%0.226SC..Hα-helixtrans-64.5-32.3178.4-73.2170.1000113.2T718 L744 A745 R746 T750T718-L748 HydrophobicContact CG2-CD1 3.73Å; L744-L748 WeakPolarHBondContact O-CB 3.4Å; L744-L748 WeakPolarHBondContact O-CG 3.21Å; L744-L748 PolarHBondContact O-N 3.4Å; A745-L748 PolarHBondContact O-N 2.76Å; R746-L748 PolarHBondContact O-N 2.74Å; L748-T750 VanDerWaalsContact C-N 3.27Å
749V88.2Confident93.5Very high11 Ų1142.4 Ų42.47%0.06722%0.215CC..THydrogen-bonded Turntrans-88.27.9173.9-56.60000113.3R723 L726 E727 A745 R746 F747 D751R723-V749 HydrophobicContact CG-CG1 4.1Å; L726-V749 HydrophobicContact CB-CG1 3.48Å; L726-V749 VanDerWaalsContact CB-CG1 3.48Å; L726-V749 HydrophobicContact CD1-CG1 4.19Å; L726-V749 HydrophobicContact CG-CG1 4.48Å; E727-V749 HydrophobicContact CG-CB 4.12Å; E727-V749 HydrophobicContact CG-CG1 4.04Å; E727-V749 HydrophobicContact CG-CG2 4Å; A745-V749 WeakPolarHBondContact O-CG2 3.33Å; A745-V749 PolarHBondContact O-N 3.11Å; R746-V749 VanDerWaalsContact O-CG2 3.25Å; R746-V749 WeakPolarHBondContact O-CG2 3.11Å; R746-V749 PolarHBondContact O-N 3.02Å; F747-V749 VanDerWaalsContact C-N 3.31Å; F747-V749 PolarHBondContact O-N 2.8Å; V749-D751 VanDerWaalsContact C-N 3.29Å; V749-D751 HydrophobicContact CG2-CB 4.1Å; V749-D751 PolarHBondContact O-N 3.29Å
750T87.1Confident93.6Very high57 Ų5740.4 Ų40.435%0.3521%0.205SC..THydrogen-bonded Turntrans62.426.3-179.664.70000115.2R746 F747 L748 L752 L836R746-T750 PolarHBondContact O-N 2.91Å; F747-T750 WeakPolarHBondContact O-CA 3.35Å; F747-T750 PolarHBondContact O-N 3.26Å; L748-T750 VanDerWaalsContact C-N 3.27Å; T750-L752 VanDerWaalsContact C-N 3.27Å; T750-L752 PolarHBondContact O-N 3.4Å; T750-L836 VanDerWaalsContact OG1-CD2 3.31Å; T750-L836 WeakPolarHBondContact OG1-CD2 3.47Å
751D90.5Very high93.5Very high56 Ų5640.2 Ų40.230%0.29920%0.204SC..  trans-80.973.7169.8179.419.5000110.2R746 V749 G754 C755R746-D751 HydrophobicContact CB-CB 4.14Å; R746-D751 PolarHBondContact O-N 2.88Å; V749-D751 VanDerWaalsContact C-N 3.29Å; V749-D751 HydrophobicContact CG2-CB 4.1Å; V749-D751 PolarHBondContact O-N 3.29Å; D751-G754 PolarHBondContact O-N 3.18Å; D751-G754 WeakPolarHBondContact OD1-CA 3.48Å; D751-G754 PolarHBondContact OD1-N 3.33Å; D751-C755 PolarHBondContact O-N 3.29Å; D751-C755 PolarHBondContact O-SG 2.88Å; D751-C755 VanDerWaalsContact O-SG 3.37Å
752L92.1Very high93.3Very high8 Ų841.2 Ų41.24%0.04222%0.216CC..Hα-helixtrans-72.2-35.4-173.8-61.6169.2000111.8F747 T750 G754 C755 L756 F771 Y775 L776F747-L752 HydrophobicContact CD2-CD2 3.95Å; F747-L752 HydrophobicContact CE2-CD2 3.96Å; T750-L752 VanDerWaalsContact C-N 3.27Å; T750-L752 PolarHBondContact O-N 3.4Å; L752-G754 VanDerWaalsContact C-N 3.33Å; L752-C755 WeakPolarHBondContact O-CB 3.42Å; L752-C755 PolarHBondContact O-N 3.06Å; L752-L756 WeakPolarHBondContact O-CB 3.4Å; L752-L756 PolarHBondContact O-N 3.38Å; L752-F771 HydrophobicContact CB-CE1 4.27Å; L752-F771 HydrophobicContact CB-CZ 4.38Å; L752-F771 HydrophobicContact CD2-CE1 4.34Å; L752-F771 HydrophobicContact CD2-CZ 3.68Å; L752-F771 WeakPolarHBondContact O-CE1 3.46Å; L752-Y775 HydrophobicContact CD2-CG 4.39Å; L752-L776 HydrophobicContact CB-CD1 3.83Å; L752-L776 HydrophobicContact CB-CD2 4.42Å; L752-L776 HydrophobicContact CB-CG 4.13Å
753E93.3Very high93.1Very high79 Ų7947.8 Ų47.837%0.36925%0.245SC..Hα-helixtrans-61.9-43.6172.7-68.288.2159.700110.5C755 L756 E757 L776E753-C755 PolarHBondContact O-N 2.92Å; E753-L756 PolarHBondContact O-N 2.9Å; E753-E757 WeakPolarHBondContact O-CB 3.14Å; E753-E757 PolarHBondContact O-N 3.15Å; E753-L776 HydrophobicContact CG-CD1 4.14Å
754G93.3Very high93Very high4 Ų450.8 Ų50.84%0.04126%0.255CS..Hα-helixtrans-65.7-32.5174.300000113.9R746 D751 L752 L758R746-G754 PolarHBondContact NH1-O 2.71Å; D751-G754 PolarHBondContact O-N 3.18Å; D751-G754 WeakPolarHBondContact OD1-CA 3.48Å; D751-G754 PolarHBondContact OD1-N 3.33Å; L752-G754 VanDerWaalsContact C-N 3.33Å; G754-L758 WeakPolarHBondContact O-CG 3.33Å; G754-L758 PolarHBondContact O-N 3.29Å; G754-L758 VanDerWaalsContact O-N 3.16Å
755C96.1Very high92.8Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-66.6-43.5170.3-73.20000112.2F743 F747 D751 L752 E753 E757 L758 L759 F771F743-C755 HydrophobicContact CD2-CB 3.87Å; F743-C755 HydrophobicContact CE2-CB 3.54Å; F743-C755 HydrophobicContact CZ-CB 4.2Å; F743-C755 PolarHBondContact O-SG 3.14Å; F747-C755 VanDerWaalsContact CA-SG 3.58Å; F747-C755 PolarHBondContact N-SG 3.28Å; D751-C755 PolarHBondContact O-N 3.29Å; D751-C755 PolarHBondContact O-SG 2.88Å; D751-C755 VanDerWaalsContact O-SG 3.37Å; L752-C755 WeakPolarHBondContact O-CB 3.42Å; L752-C755 PolarHBondContact O-N 3.06Å; E753-C755 PolarHBondContact O-N 2.92Å; C755-E757 VanDerWaalsContact C-N 3.33Å; C755-L758 PolarHBondContact O-N 2.91Å; C755-L759 PolarHBondContact O-N 2.87Å; C755-L759 VanDerWaalsContact O-N 3.12Å; C755-F771 HydrophobicContact CB-CE1 3.99Å; C755-F771 HydrophobicContact CB-CE2 4.35Å; C755-F771 HydrophobicContact CB-CZ 3.65Å
756L95.8Very high92.7Very high7 Ų749.6 Ų49.64%0.03725%0.25CS..Hα-helixtrans-65.4-39.6178.2-175.266000111.2L752 E753 L759 T760 A768 F771 A772 L776 Y779 I783L752-L756 WeakPolarHBondContact O-CB 3.4Å; L752-L756 PolarHBondContact O-N 3.38Å; E753-L756 PolarHBondContact O-N 2.9Å; L756-L759 PolarHBondContact O-N 3.19Å; L756-T760 WeakPolarHBondContact O-CB 3.39Å; L756-T760 PolarHBondContact O-N 2.82Å; L756-T760 PolarHBondContact O-OG1 3.15Å; L756-A768 HydrophobicContact CD1-CB 3.85Å; L756-A768 WeakPolarHBondContact CD1-O 3.44Å; L756-F771 HydrophobicContact CB-CD1 4.32Å; L756-F771 HydrophobicContact CB-CE1 4.43Å; L756-F771 HydrophobicContact CD1-CD1 4.21Å; L756-A772 HydrophobicContact CD1-CB 4.16Å; L756-A772 HydrophobicContact CD2-CB 4.49Å; L756-L776 HydrophobicContact CB-CD1 4.47Å; L756-L776 HydrophobicContact CD2-CD1 4.24Å; L756-Y779 HydrophobicContact CD2-CD1 4.02Å; L756-Y779 HydrophobicContact CD2-CG 3.88Å; L756-I783 HydrophobicContact CD1-CD1 4.28Å; L756-I783 HydrophobicContact CD1-CG1 4.2Å; L756-I783 HydrophobicContact CD2-CD1 4.24Å; L756-I783 HydrophobicContact CD2-CG1 4.21Å; L756-I783 HydrophobicContact CG-CD1 4.29Å
757E95Very high92.8Very high102 Ų10252.6 Ų52.648%0.47727%0.265SS..Hα-helixtrans-57.7-48.5173-175.3-169.7-167.100111.1R746 E753 C755 L759 T760 N761R746-E757 IonicContact NH1-OE2 2.96Å; R746-E757 PolarHBondContact NH1-OE2 3.04Å; E753-E757 WeakPolarHBondContact O-CB 3.14Å; E753-E757 PolarHBondContact O-N 3.15Å; C755-E757 VanDerWaalsContact C-N 3.33Å; E757-L759 PolarHBondContact O-N 2.65Å; E757-T760 PolarHBondContact O-N 2.92Å; E757-N761 WeakPolarHBondContact O-CB 3.38Å; E757-N761 VanDerWaalsContact O-CG 3.24Å; E757-N761 PolarHBondContact O-N 2.98Å
758L95.3Very high92.9Very high15 Ų1549.3 Ų49.38%0.07925%0.251CS..Hα-helixtrans-58.6-47.7177.6-74.9172.8000112.2A734 A742 F743 G754 C755 T760 N761 A762A734-L758 HydrophobicContact CB-CD2 3.84Å; A742-L758 HydrophobicContact CB-CD1 3.77Å; F743-L758 HydrophobicContact CB-CD1 4.21Å; G754-L758 WeakPolarHBondContact O-CG 3.33Å; G754-L758 PolarHBondContact O-N 3.29Å; G754-L758 VanDerWaalsContact O-N 3.16Å; C755-L758 PolarHBondContact O-N 2.91Å; L758-T760 VanDerWaalsContact C-N 3.29Å; L758-T760 PolarHBondContact O-N 3Å; L758-N761 PolarHBondContact O-N 2.88Å; L758-A762 VanDerWaalsContact O-CB 3.31Å; L758-A762 WeakPolarHBondContact O-CB 3.47Å; L758-A762 PolarHBondContact O-N 3.02Å
759L95.7Very high93.1Very high17 Ų1745.1 Ų45.19%0.08923%0.23CC..Hα-helixtrans-61.9-38.6177.7-69.5172.4000112.2F743 C755 L756 E757 K763 R764 E767 A768 F771F743-L759 HydrophobicContact CD2-CG 4.28Å; F743-L759 HydrophobicContact CE2-CD1 3.78Å; F743-L759 HydrophobicContact CE2-CD2 4.27Å; F743-L759 HydrophobicContact CE2-CG 3.85Å; F743-L759 HydrophobicContact CZ-CD1 4.42Å; C755-L759 PolarHBondContact O-N 2.87Å; C755-L759 VanDerWaalsContact O-N 3.12Å; L756-L759 PolarHBondContact O-N 3.19Å; E757-L759 PolarHBondContact O-N 2.65Å; L759-K763 PolarHBondContact O-N 3.19Å; L759-R764 HydrophobicContact CD2-CB 4.35Å; L759-R764 PolarHBondContact O-N 3.01Å; L759-E767 HydrophobicContact CD2-CB 4.27Å; L759-A768 HydrophobicContact CB-CB 3.86Å; L759-F771 HydrophobicContact CD1-CB 3.94Å; L759-F771 HydrophobicContact CD1-CD2 4.46Å; L759-F771 HydrophobicContact CD1-CG 4.12Å
760T93.9Very high93.4Very high24 Ų2450.9 Ų50.915%0.14725%0.254CS..Hα-helixtrans-70.4-44.3179.8-54.50000111.1L756 E757 L758 A762 K763 F765L756-T760 WeakPolarHBondContact O-CB 3.39Å; L756-T760 PolarHBondContact O-N 2.82Å; L756-T760 PolarHBondContact O-OG1 3.15Å; E757-T760 PolarHBondContact O-N 2.92Å; L758-T760 VanDerWaalsContact C-N 3.29Å; L758-T760 PolarHBondContact O-N 3Å; T760-A762 VanDerWaalsContact C-N 3.31Å; T760-A762 PolarHBondContact O-N 2.83Å; T760-K763 WeakPolarHBondContact O-CA 3.41Å; T760-K763 PolarHBondContact O-N 2.88Å; T760-F765 HydrophobicContact CG2-CE1 3.96Å
761N92.3Very high93.8Very high113 Ų11349 Ų4960%0.60424%0.241SC*.Hα-helixtrans-62.9-38176.1-72.3-13000111.6E757 L758 K763E757-N761 WeakPolarHBondContact O-CB 3.38Å; E757-N761 VanDerWaalsContact O-CG 3.24Å; E757-N761 PolarHBondContact O-N 2.98Å; L758-N761 PolarHBondContact O-N 2.88Å; N761-K763 PolarHBondContact O-N 2.82Å
762A91.6Very high94Very high43 Ų4346.3 Ų46.336%0.35523%0.227SC..THydrogen-bonded Turntrans-74.23.717300000113.8L758 T760 R764L758-A762 VanDerWaalsContact O-CB 3.31Å; L758-A762 WeakPolarHBondContact O-CB 3.47Å; L758-A762 PolarHBondContact O-N 3.02Å; T760-A762 VanDerWaalsContact C-N 3.31Å; T760-A762 PolarHBondContact O-N 2.83Å; A762-R764 HydrophobicContact CB-CG 4.25Å; A762-R764 PolarHBondContact O-N 3.42Å
763K91.7Very high93.9Very high138 Ų13852.4 Ų52.460%0.625%0.25SC*.THydrogen-bonded Turntrans57.823.5-177.9-57.5175.1-176.3170.30114.2L759 T760 N761 F765L759-K763 PolarHBondContact O-N 3.19Å; T760-K763 WeakPolarHBondContact O-CA 3.41Å; T760-K763 PolarHBondContact O-N 2.88Å; N761-K763 PolarHBondContact O-N 2.82Å; K763-F765 HydrophobicContact CB-CD2 4.4Å; K763-F765 HydrophobicContact CB-CE2 3.74Å; K763-F765 HydrophobicContact CB-CZ 4.28Å; K763-F765 HydrophobicContact CG-CE2 4.18Å; K763-F765 HydrophobicContact CG-CZ 4.36Å; K763-F765 VanDerWaalsContact O-CD2 3.27Å; K763-F765 WeakPolarHBondContact O-CD2 3.41Å; K763-F765 PolarHBondContact O-N 2.73Å
764R93.4Very high93.8Very high115 Ų11553.1 Ų53.143%0.43426%0.259SS..  trans-85.755.6176.1-65.1-176.2173.3-156.56.2111L759 A762 P766 E767 A768L759-R764 HydrophobicContact CD2-CB 4.35Å; L759-R764 PolarHBondContact O-N 3.01Å; A762-R764 HydrophobicContact CB-CG 4.25Å; A762-R764 PolarHBondContact O-N 3.42Å; R764-P766 VanDerWaalsContact C-CD 3.44Å; R764-E767 HydrophobicContact CB-CB 4.24Å; R764-E767 WeakPolarHBondContact CD-OE1 3.18Å; R764-E767 WeakPolarHBondContact CD-OE2 3.22Å; R764-E767 IonicContact NH1-OE1 3.93Å; R764-E767 IonicContact NH1-OE2 3.44Å; R764-E767 PolarHBondContact NH1-OE2 3.22Å; R764-E767 PolarHBondContact O-N 2.54Å; R764-A768 WeakPolarHBondContact O-CB 2.93Å; R764-A768 PolarHBondContact O-N 2.89Å
765F92.8Very high93.6Very high17 Ų1757 Ų578%0.07527%0.274CS..Hα-helixtrans-58-36.7-173.4-57.3-74.1000115.4T760 K763 A768 A769 Q786 W787 W790T760-F765 HydrophobicContact CG2-CE1 3.96Å; K763-F765 HydrophobicContact CB-CD2 4.4Å; K763-F765 HydrophobicContact CB-CE2 3.74Å; K763-F765 HydrophobicContact CB-CZ 4.28Å; K763-F765 HydrophobicContact CG-CE2 4.18Å; K763-F765 HydrophobicContact CG-CZ 4.36Å; K763-F765 VanDerWaalsContact O-CD2 3.27Å; K763-F765 WeakPolarHBondContact O-CD2 3.41Å; K763-F765 PolarHBondContact O-N 2.73Å; F765-A768 PolarHBondContact O-N 3.41Å; F765-A769 WeakPolarHBondContact O-CB 3.46Å; F765-A769 PolarHBondContact O-N 2.7Å; F765-Q786 HydrophobicContact CD1-CB 3.96Å; F765-Q786 HydrophobicContact CE1-CB 3.91Å; F765-W787 HydrophobicContact CB-CB 3.67Å; F765-W787 HydrophobicContact CB-CG 3.86Å; F765-W787 HydrophobicContact CG-CB 4.49Å; F765-W790 HydrophobicContact CD2-CB 3.71Å; F765-W790 AromaticContact CD2-CD2 3.74Å; F765-W790 HydrophobicContact CD2-CD2 3.74Å; F765-W790 HydrophobicContact CD2-CE3 4.16Å; F765-W790 AromaticContact CD2-CG 3.53Å; F765-W790 HydrophobicContact CD2-CG 3.53Å; F765-W790 HydrophobicContact CE2-CB 3.62Å; F765-W790 AromaticContact CE2-CD1 3.45Å; F765-W790 VanDerWaalsContact CE2-CD1 3.45Å; F765-W790 AromaticContact CE2-CD2 3.98Å; F765-W790 HydrophobicContact CE2-CD2 3.98Å; F765-W790 AromaticContact CE2-CG 3.38Å; F765-W790 HydrophobicContact CE2-CG 3.38Å; F765-W790 HydrophobicContact CZ-CB 4.42Å; F765-W790 HydrophobicContact CZ-CG 4.48Å
766P92.9Very high93.4Very high43 Ų4357.2 Ų57.228%0.27928%0.275SS..Hα-helixtrans-61.4-48.6173.8-19.829.8000112.1R764 A769 F770 W787R764-P766 VanDerWaalsContact C-CD 3.44Å; P766-A769 WeakPolarHBondContact O-CB 3.39Å; P766-A769 PolarHBondContact O-N 3.35Å; P766-F770 WeakPolarHBondContact O-CD2 3.19Å; P766-F770 PolarHBondContact O-N 3.27Å; P766-W787 HydrophobicContact CB-CH2 4.14Å; P766-W787 HydrophobicContact CB-CZ2 3.88Å; P766-W787 HydrophobicContact CG-CD2 4.37Å; P766-W787 HydrophobicContact CG-CZ2 3.81Å
767E96Very high93.2Very high91 Ų9157.3 Ų57.343%0.42528%0.276SS..Hα-helixtrans-62.3-43.8177.5-68.8164.8-115.600110.9L759 R764 A769 F770 F771L759-E767 HydrophobicContact CD2-CB 4.27Å; R764-E767 HydrophobicContact CB-CB 4.24Å; R764-E767 WeakPolarHBondContact CD-OE1 3.18Å; R764-E767 WeakPolarHBondContact CD-OE2 3.22Å; R764-E767 IonicContact NH1-OE1 3.93Å; R764-E767 IonicContact NH1-OE2 3.44Å; R764-E767 PolarHBondContact NH1-OE2 3.22Å; R764-E767 PolarHBondContact O-N 2.54Å; E767-A769 VanDerWaalsContact C-N 3.3Å; E767-A769 PolarHBondContact O-N 3.37Å; E767-F770 PolarHBondContact O-N 2.77Å; E767-F771 VanDerWaalsContact O-CB 3.27Å; E767-F771 WeakPolarHBondContact O-CB 3.43Å; E767-F771 PolarHBondContact O-N 2.7Å
768A95.6Very high93.1Very high0 Ų055.4 Ų55.40%027%0.273CS..Hα-helixtrans-58.9-40.1174.200000111.8L756 L759 R764 F765 F771 A772 I783L756-A768 HydrophobicContact CD1-CB 3.85Å; L756-A768 WeakPolarHBondContact CD1-O 3.44Å; L759-A768 HydrophobicContact CB-CB 3.86Å; R764-A768 WeakPolarHBondContact O-CB 2.93Å; R764-A768 PolarHBondContact O-N 2.89Å; F765-A768 PolarHBondContact O-N 3.41Å; A768-F771 PolarHBondContact O-N 3.13Å; A768-A772 VanDerWaalsContact O-CB 3.23Å; A768-A772 WeakPolarHBondContact O-CB 3.43Å; A768-A772 PolarHBondContact O-N 2.82Å; A768-I783 HydrophobicContact CB-CG2 3.66Å
769A93.5Very high93.1Very high7 Ų758.9 Ų58.96%0.05829%0.286CS..Hα-helixtrans-68.4-41.5178.100000112F765 P766 E767 R773 I783 V784 W787F765-A769 WeakPolarHBondContact O-CB 3.46Å; F765-A769 PolarHBondContact O-N 2.7Å; P766-A769 WeakPolarHBondContact O-CB 3.39Å; P766-A769 PolarHBondContact O-N 3.35Å; E767-A769 VanDerWaalsContact C-N 3.3Å; E767-A769 PolarHBondContact O-N 3.37Å; A769-R773 VanDerWaalsContact O-CB 3.31Å; A769-R773 WeakPolarHBondContact O-CB 3.41Å; A769-R773 PolarHBondContact O-N 2.79Å; A769-I783 HydrophobicContact CB-CG2 4.05Å; A769-V784 HydrophobicContact CB-CG2 4.12Å; A769-W787 HydrophobicContact CB-CE3 4.07Å; A769-W787 HydrophobicContact CB-CZ3 4.38Å
770F94.6Very high92.9Very high132 Ų13258.4 Ų58.458%0.57928%0.283SS*.Hα-helixtrans-66-40.8173.6-78.7-69.3000112P766 E767 R773 T774P766-F770 WeakPolarHBondContact O-CD2 3.19Å; P766-F770 PolarHBondContact O-N 3.27Å; E767-F770 PolarHBondContact O-N 2.77Å; F770-R773 PolarHBondContact O-N 3.31Å; F770-T774 WeakPolarHBondContact O-CB 3.27Å; F770-T774 PolarHBondContact O-N 3.37Å; F770-T774 PolarHBondContact O-OG1 3.23Å
771F95.4Very high92.8Very high18 Ų1858.8 Ų58.88%0.07929%0.286CS..Hα-helixtrans-63-48.5175.6-173.1-89.7000111F743 F747 L752 C755 L756 L759 E767 A768 R773 T774 Y775F743-F771 HydrophobicContact CE2-CE2 4.35Å; F743-F771 HydrophobicContact CZ-CD2 4.09Å; F743-F771 AromaticContact CZ-CE2 3.8Å; F743-F771 HydrophobicContact CZ-CE2 3.8Å; F747-F771 HydrophobicContact CD2-CE2 4.02Å; F747-F771 HydrophobicContact CD2-CZ 4.21Å; F747-F771 AromaticContact CE2-CE2 3.96Å; F747-F771 HydrophobicContact CE2-CE2 3.96Å; F747-F771 HydrophobicContact CE2-CZ 4.33Å; L752-F771 HydrophobicContact CB-CE1 4.27Å; L752-F771 HydrophobicContact CB-CZ 4.38Å; L752-F771 HydrophobicContact CD2-CE1 4.34Å; L752-F771 HydrophobicContact CD2-CZ 3.68Å; L752-F771 WeakPolarHBondContact O-CE1 3.46Å; C755-F771 HydrophobicContact CB-CE1 3.99Å; C755-F771 HydrophobicContact CB-CE2 4.35Å; C755-F771 HydrophobicContact CB-CZ 3.65Å; L756-F771 HydrophobicContact CB-CD1 4.32Å; L756-F771 HydrophobicContact CB-CE1 4.43Å; L756-F771 HydrophobicContact CD1-CD1 4.21Å; L759-F771 HydrophobicContact CD1-CB 3.94Å; L759-F771 HydrophobicContact CD1-CD2 4.46Å; L759-F771 HydrophobicContact CD1-CG 4.12Å; E767-F771 VanDerWaalsContact O-CB 3.27Å; E767-F771 WeakPolarHBondContact O-CB 3.43Å; E767-F771 PolarHBondContact O-N 2.7Å; A768-F771 PolarHBondContact O-N 3.13Å; F771-R773 PolarHBondContact O-N 3.44Å; F771-T774 PolarHBondContact O-N 2.73Å; F771-T774 VanDerWaalsContact O-N 3.16Å; F771-Y775 HydrophobicContact CD1-CD2 4.34Å; F771-Y775 AromaticContact CD2-CD2 3.58Å; F771-Y775 HydrophobicContact CD2-CD2 3.58Å; F771-Y775 AromaticContact CD2-CE2 3.86Å; F771-Y775 HydrophobicContact CD2-CE2 3.86Å; F771-Y775 HydrophobicContact CE1-CD2 4.28Å; F771-Y775 AromaticContact CE2-CD2 3.51Å; F771-Y775 HydrophobicContact CE2-CD2 3.51Å; F771-Y775 AromaticContact CE2-CE2 3.78Å; F771-Y775 HydrophobicContact CE2-CE2 3.78Å; F771-Y775 HydrophobicContact CE2-CG 4.38Å; F771-Y775 HydrophobicContact CG-CD2 4.02Å; F771-Y775 AromaticContact CZ-CD2 3.89Å; F771-Y775 HydrophobicContact CZ-CD2 3.89Å; F771-Y775 HydrophobicContact CZ-CG 4.36Å; F771-Y775 PolarHBondContact O-N 2.75Å
772A94Very high92.9Very high0 Ų058.4 Ų58.40%028%0.281CS..Hα-helixtrans-58.7-49.317500000110.7L756 A768 T774 Y775 L776 P777 M780 I783L756-A772 HydrophobicContact CD1-CB 4.16Å; L756-A772 HydrophobicContact CD2-CB 4.49Å; A768-A772 VanDerWaalsContact O-CB 3.23Å; A768-A772 WeakPolarHBondContact O-CB 3.43Å; A768-A772 PolarHBondContact O-N 2.82Å; A772-T774 PolarHBondContact O-N 2.92Å; A772-T774 VanDerWaalsContact O-N 3.14Å; A772-Y775 PolarHBondContact O-N 3.38Å; A772-L776 CarbonylContact C-O 3.47Å; A772-L776 CarbonylContact O-C 3.54Å; A772-L776 VanDerWaalsContact O-CA 3.32Å; A772-L776 WeakPolarHBondContact O-CA 3.38Å; A772-L776 PolarHBondContact O-N 2.63Å; A772-L776 VanDerWaalsContact O-O 3.04Å; A772-P777 VanDerWaalsContact O-CA 3.31Å; A772-P777 WeakPolarHBondContact O-CA 3.24Å; A772-M780 HydrophobicContact CB-CB 4.34Å; A772-I783 HydrophobicContact CB-CG1 4.46Å
773R90.7Very high93Very high136 Ų13656.6 Ų56.651%0.51327%0.265SS..Hα-helixtrans-54.3-37.7176.5-177.4176177.5158.82.4112.9A769 F770 F771 M780A769-R773 VanDerWaalsContact O-CB 3.31Å; A769-R773 WeakPolarHBondContact O-CB 3.41Å; A769-R773 PolarHBondContact O-N 2.79Å; F770-R773 PolarHBondContact O-N 3.31Å; F771-R773 PolarHBondContact O-N 3.44Å; R773-M780 HydrophobicContact CB-SD 3.73Å; R773-M780 HydrophobicContact CG-SD 3.84Å
774T89.7Confident93.1Very high94 Ų9450.6 Ų50.658%0.57724%0.24SC*.Hα-helixtrans-81.7-44.4-175.8-54.30000112.4F770 F771 A772F770-T774 WeakPolarHBondContact O-CB 3.27Å; F770-T774 PolarHBondContact O-N 3.37Å; F770-T774 PolarHBondContact O-OG1 3.23Å; F771-T774 PolarHBondContact O-N 2.73Å; F771-T774 VanDerWaalsContact O-N 3.16Å; A772-T774 PolarHBondContact O-N 2.92Å; A772-T774 VanDerWaalsContact O-N 3.14Å
775Y89.4Confident93Very high86 Ų8649.6 Ų49.634%0.33724%0.24SC..Hα-helixtrans-115.5-25.9-167-63.6-72.2000115F747 L752 F771 A772F747-Y775 HydrophobicContact CE2-CE1 4.33Å; F747-Y775 HydrophobicContact CE2-CE2 4.21Å; F747-Y775 AromaticContact CE2-CZ 4Å; F747-Y775 HydrophobicContact CZ-CE1 4.41Å; L752-Y775 HydrophobicContact CD2-CG 4.39Å; F771-Y775 HydrophobicContact CD1-CD2 4.34Å; F771-Y775 AromaticContact CD2-CD2 3.58Å; F771-Y775 HydrophobicContact CD2-CD2 3.58Å; F771-Y775 AromaticContact CD2-CE2 3.86Å; F771-Y775 HydrophobicContact CD2-CE2 3.86Å; F771-Y775 HydrophobicContact CE1-CD2 4.28Å; F771-Y775 AromaticContact CE2-CD2 3.51Å; F771-Y775 HydrophobicContact CE2-CD2 3.51Å; F771-Y775 AromaticContact CE2-CE2 3.78Å; F771-Y775 HydrophobicContact CE2-CE2 3.78Å; F771-Y775 HydrophobicContact CE2-CG 4.38Å; F771-Y775 HydrophobicContact CG-CD2 4.02Å; F771-Y775 AromaticContact CZ-CD2 3.89Å; F771-Y775 HydrophobicContact CZ-CD2 3.89Å; F771-Y775 HydrophobicContact CZ-CG 4.36Å; F771-Y775 PolarHBondContact O-N 2.75Å; A772-Y775 PolarHBondContact O-N 3.38Å
776L92.9Very high93Very high4 Ų451.5 Ų51.52%0.02125%0.249CC..  trans-142.260-174-68.3174.5000111.4L752 E753 L756 A772 S778 Y779 E825L752-L776 HydrophobicContact CB-CD1 3.83Å; L752-L776 HydrophobicContact CB-CD2 4.42Å; L752-L776 HydrophobicContact CB-CG 4.13Å; E753-L776 HydrophobicContact CG-CD1 4.14Å; L756-L776 HydrophobicContact CB-CD1 4.47Å; L756-L776 HydrophobicContact CD2-CD1 4.24Å; A772-L776 CarbonylContact C-O 3.47Å; A772-L776 CarbonylContact O-C 3.54Å; A772-L776 VanDerWaalsContact O-CA 3.32Å; A772-L776 WeakPolarHBondContact O-CA 3.38Å; A772-L776 PolarHBondContact O-N 2.63Å; A772-L776 VanDerWaalsContact O-O 3.04Å; L776-S778 PolarHBondContact O-N 3.47Å; L776-Y779 HydrophobicContact CB-CD2 4.03Å; L776-Y779 HydrophobicContact CD1-CD2 4.46Å; L776-Y779 PolarHBondContact O-N 3.44Å; L776-E825 VanDerWaalsContact CA-OE1 3.26Å; L776-E825 WeakPolarHBondContact CA-OE1 3.25Å
777P91.7Very high92.9Very high9 Ų951.7 Ų51.76%0.05824%0.244CC..G310 helixtrans-59.7-22.1-170.420.3-32.2000113.3A772 Y779 M780 L818 A821 L822 E825A772-P777 VanDerWaalsContact O-CA 3.31Å; A772-P777 WeakPolarHBondContact O-CA 3.24Å; P777-Y779 VanDerWaalsContact C-N 3.27Å; P777-Y779 PolarHBondContact O-N 3.32Å; P777-M780 WeakPolarHBondContact O-CB 3.47Å; P777-M780 PolarHBondContact O-N 2.92Å; P777-L818 HydrophobicContact CB-CD1 4.46Å; P777-A821 HydrophobicContact CB-CB 4.26Å; P777-A821 HydrophobicContact CG-CB 4.11Å; P777-L822 HydrophobicContact CB-CD2 4.36Å; P777-E825 VanDerWaalsContact CD-CD 3.49Å; P777-E825 HydrophobicContact CG-CB 3.9Å; P777-E825 HydrophobicContact CG-CG 4.33Å; P777-E825 WeakPolarHBondContact CG-OE2 3.44Å
778S93Very high92.6Very high61 Ų6149.1 Ų49.143%0.42723%0.231SC..G310 helixtrans-59.5-30.9172.163.10000114.6L776 P781 L822 E825L776-S778 PolarHBondContact O-N 3.47Å; S778-P781 WeakPolarHBondContact O-CD 3.14Å; S778-L822 VanDerWaalsContact CA-CD2 3.49Å; S778-E825 WeakPolarHBondContact CB-OE1 3.45Å; S778-E825 WeakPolarHBondContact CB-OE2 3.4Å; S778-E825 PolarHBondContact N-OE2 3.13Å; S778-E825 VanDerWaalsContact OG-CD 3.29Å; S778-E825 PolarHBondContact OG-OE1 2.9Å; S778-E825 PolarHBondContact OG-OE2 3.02Å
779Y93.9Very high92.2Very high89 Ų8953.1 Ų53.135%0.34925%0.252SS..G310 helixtrans-86.4-15.4179.1-74.5-97.6000113L756 L776 P777 P781 E782 I783L756-Y779 HydrophobicContact CD2-CD1 4.02Å; L756-Y779 HydrophobicContact CD2-CG 3.88Å; L776-Y779 HydrophobicContact CB-CD2 4.03Å; L776-Y779 HydrophobicContact CD1-CD2 4.46Å; L776-Y779 PolarHBondContact O-N 3.44Å; P777-Y779 VanDerWaalsContact C-N 3.27Å; P777-Y779 PolarHBondContact O-N 3.32Å; Y779-P781 VanDerWaalsContact C-CD 3.47Å; Y779-E782 PolarHBondContact O-N 2.78Å; Y779-E782 VanDerWaalsContact O-N 3.08Å; Y779-I783 WeakPolarHBondContact O-CG1 3.41Å; Y779-I783 PolarHBondContact O-N 2.85Å
780M92.3Very high92Very high6 Ų657.6 Ų57.63%0.0327%0.268CS..Hα-helixtrans-52.7-44.6-176.2178.117750.200113.5A772 R773 P777 E782 I783 V784 P808 F815 L818A772-M780 HydrophobicContact CB-CB 4.34Å; R773-M780 HydrophobicContact CB-SD 3.73Å; R773-M780 HydrophobicContact CG-SD 3.84Å; P777-M780 WeakPolarHBondContact O-CB 3.47Å; P777-M780 PolarHBondContact O-N 2.92Å; M780-E782 VanDerWaalsContact C-N 3.33Å; M780-E782 PolarHBondContact O-N 2.89Å; M780-I783 PolarHBondContact O-N 3.38Å; M780-V784 HydrophobicContact CG-CG2 4.04Å; M780-V784 WeakPolarHBondContact O-CB 3.3Å; M780-V784 VanDerWaalsContact O-CG2 3.23Å; M780-V784 WeakPolarHBondContact O-CG2 3.41Å; M780-V784 PolarHBondContact O-N 3.41Å; M780-P808 HydrophobicContact CE-CB 4.26Å; M780-P808 HydrophobicContact CE-CG 3.47Å; M780-P808 VanDerWaalsContact CE-CG 3.47Å; M780-P808 HydrophobicContact CG-CG 4.03Å; M780-P808 HydrophobicContact SD-CG 4.01Å; M780-F815 HydrophobicContact CE-CD1 4.09Å; M780-F815 HydrophobicContact CE-CE1 4.38Å; M780-F815 HydrophobicContact SD-CD1 4.35Å; M780-F815 HydrophobicContact SD-CE1 4.13Å; M780-L818 HydrophobicContact CE-CD1 3.45Å; M780-L818 VanDerWaalsContact CE-CD1 3.45Å
781P92.4Very high91.6Very high33 Ų3352.2 Ų52.221%0.21425%0.245CC..Hα-helixtrans-60.5-40.1178.7-24.135.4000113.5S778 Y779 E785 N807 P808 K809S778-P781 WeakPolarHBondContact O-CD 3.14Å; Y779-P781 VanDerWaalsContact C-CD 3.47Å; P781-E785 WeakPolarHBondContact O-CB 3.31Å; P781-E785 PolarHBondContact O-N 2.87Å; P781-E785 VanDerWaalsContact O-N 3.11Å; P781-N807 PolarHBondContact O-ND2 3.45Å; P781-P808 HydrophobicContact CG-CB 4.38Å; P781-P808 HydrophobicContact CG-CG 4.33Å; P781-K809 HydrophobicContact CB-CB 4.41Å
782E94.1Very high90.8Very high105 Ų10555 Ų5549%0.49126%0.261SS..Hα-helixtrans-68.6-46.7179.7-174.3-177.5164.200110.7Y779 M780 V784 E785 Q786Y779-E782 PolarHBondContact O-N 2.78Å; Y779-E782 VanDerWaalsContact O-N 3.08Å; M780-E782 VanDerWaalsContact C-N 3.33Å; M780-E782 PolarHBondContact O-N 2.89Å; E782-V784 PolarHBondContact O-N 2.96Å; E782-E785 WeakPolarHBondContact O-CB 3.26Å; E782-E785 PolarHBondContact O-N 3.09Å; E782-Q786 WeakPolarHBondContact O-CG 3.49Å; E782-Q786 PolarHBondContact O-N 3.34Å; E782-Q786 PolarHBondContact OE1-NE2 3.48Å
783I94.1Very high90.1Very high5 Ų563.7 Ų63.73%0.02630%0.299CS..Hα-helixtrans-67.8-38.3-178.6-58.4-62.2000111.7L756 A768 A769 A772 Y779 M780 E785 Q786 W787L756-I783 HydrophobicContact CD1-CD1 4.28Å; L756-I783 HydrophobicContact CD1-CG1 4.2Å; L756-I783 HydrophobicContact CD2-CD1 4.24Å; L756-I783 HydrophobicContact CD2-CG1 4.21Å; L756-I783 HydrophobicContact CG-CD1 4.29Å; A768-I783 HydrophobicContact CB-CG2 3.66Å; A769-I783 HydrophobicContact CB-CG2 4.05Å; A772-I783 HydrophobicContact CB-CG1 4.46Å; Y779-I783 WeakPolarHBondContact O-CG1 3.41Å; Y779-I783 PolarHBondContact O-N 2.85Å; M780-I783 PolarHBondContact O-N 3.38Å; I783-E785 VanDerWaalsContact C-N 3.29Å; I783-E785 PolarHBondContact O-N 3.07Å; I783-Q786 PolarHBondContact O-N 2.78Å; I783-W787 WeakPolarHBondContact O-CB 3.3Å; I783-W787 PolarHBondContact O-N 3.38Å
784V92.5Very high89Confident11 Ų1160.3 Ų60.37%0.06730%0.296CS..Hα-helixtrans-65.7-34.8174.2172.80000111A769 M780 E782 W787 R788 N807A769-V784 HydrophobicContact CB-CG2 4.12Å; M780-V784 HydrophobicContact CG-CG2 4.04Å; M780-V784 WeakPolarHBondContact O-CB 3.3Å; M780-V784 VanDerWaalsContact O-CG2 3.23Å; M780-V784 WeakPolarHBondContact O-CG2 3.41Å; M780-V784 PolarHBondContact O-N 3.41Å; E782-V784 PolarHBondContact O-N 2.96Å; V784-W787 PolarHBondContact O-N 3.01Å; V784-R788 WeakPolarHBondContact O-CG 3.27Å; V784-R788 PolarHBondContact O-N 3.16Å; V784-N807 HydrophobicContact CG1-CB 4.18Å
785E91.9Very high88Confident94 Ų9461.3 Ų61.344%0.43930%0.298SS..Hα-helixtrans-67-42.3173.5-170.2166.3-168.400111.6P781 E782 I783 W787 R788 N789P781-E785 WeakPolarHBondContact O-CB 3.31Å; P781-E785 PolarHBondContact O-N 2.87Å; P781-E785 VanDerWaalsContact O-N 3.11Å; E782-E785 WeakPolarHBondContact O-CB 3.26Å; E782-E785 PolarHBondContact O-N 3.09Å; I783-E785 VanDerWaalsContact C-N 3.29Å; I783-E785 PolarHBondContact O-N 3.07Å; E785-W787 VanDerWaalsContact C-N 3.33Å; E785-W787 PolarHBondContact O-N 3.12Å; E785-R788 PolarHBondContact O-N 3.32Å; E785-N789 WeakPolarHBondContact O-CB 3.39Å; E785-N789 PolarHBondContact O-N 3.48Å; E785-N789 PolarHBondContact O-ND2 3.11Å
786Q91.9Very high86.7Confident58 Ų5866.3 Ų66.327%0.27132%0.321SS..Hα-helixtrans-61.4-41.1171.8-66.5-176.83400111.9F765 E782 I783 N789 W790F765-Q786 HydrophobicContact CD1-CB 3.96Å; F765-Q786 HydrophobicContact CE1-CB 3.91Å; E782-Q786 WeakPolarHBondContact O-CG 3.49Å; E782-Q786 PolarHBondContact O-N 3.34Å; E782-Q786 PolarHBondContact OE1-NE2 3.48Å; I783-Q786 PolarHBondContact O-N 2.78Å; Q786-N789 PolarHBondContact O-N 2.92Å; Q786-W790 WeakPolarHBondContact O-CB 3.48Å; Q786-W790 PolarHBondContact O-N 2.8Å
787W91.5Very high85.2Confident46 Ų4669.8 Ų69.817%0.17435%0.35CS..Hα-helixtrans-61.5-47.4175.6-174.311.8000112F765 P766 A769 I783 V784 E785 W790 L791 L805F765-W787 HydrophobicContact CB-CB 3.67Å; F765-W787 HydrophobicContact CB-CG 3.86Å; F765-W787 HydrophobicContact CG-CB 4.49Å; P766-W787 HydrophobicContact CB-CH2 4.14Å; P766-W787 HydrophobicContact CB-CZ2 3.88Å; P766-W787 HydrophobicContact CG-CD2 4.37Å; P766-W787 HydrophobicContact CG-CZ2 3.81Å; A769-W787 HydrophobicContact CB-CE3 4.07Å; A769-W787 HydrophobicContact CB-CZ3 4.38Å; I783-W787 WeakPolarHBondContact O-CB 3.3Å; I783-W787 PolarHBondContact O-N 3.38Å; V784-W787 PolarHBondContact O-N 3.01Å; E785-W787 VanDerWaalsContact C-N 3.33Å; E785-W787 PolarHBondContact O-N 3.12Å; W787-W790 PolarHBondContact O-N 3.11Å; W787-L791 PolarHBondContact O-N 2.68Å; W787-L805 HydrophobicContact CD2-CD1 3.47Å; W787-L805 VanDerWaalsContact CD2-CD1 3.47Å; W787-L805 HydrophobicContact CE3-CD1 3.76Å; W787-L805 HydrophobicContact CE3-CD2 4.15Å; W787-L805 HydrophobicContact CG-CD1 3.92Å; W787-L805 HydrophobicContact CH2-CD1 4.16Å; W787-L805 HydrophobicContact CH2-CD2 3.45Å; W787-L805 VanDerWaalsContact CH2-CD2 3.45Å; W787-L805 HydrophobicContact CH2-CG 4.47Å; W787-L805 HydrophobicContact CZ2-CD1 3.9Å; W787-L805 HydrophobicContact CZ2-CD2 3.85Å; W787-L805 HydrophobicContact CZ3-CD1 4.1Å; W787-L805 HydrophobicContact CZ3-CD2 3.62Å; W787-L805 HydrophobicContact CZ3-CG 4.49Å
788R89.5Confident84.3Confident38 Ų3870 Ų7014%0.14335%0.352CS..Hα-helixtrans-57.2-50.8174.6-76.3177.6171178.8-6.5111V784 E785 W790 L791 D792 L805 N807 D810V784-R788 WeakPolarHBondContact O-CG 3.27Å; V784-R788 PolarHBondContact O-N 3.16Å; E785-R788 PolarHBondContact O-N 3.32Å; R788-W790 VanDerWaalsContact C-N 3.27Å; R788-W790 PolarHBondContact O-N 2.96Å; R788-L791 PolarHBondContact O-N 3.14Å; R788-D792 PolarHBondContact O-N 3.47Å; R788-L805 HydrophobicContact CG-CB 4.17Å; R788-L805 HydrophobicContact CG-CD1 4.3Å; R788-L805 PolarHBondContact NE-O 3.06Å; R788-L805 PolarHBondContact NH2-O 3Å; R788-N807 VanDerWaalsContact CZ-CB 3.48Å; R788-D810 IonicContact CZ-OD2 3.45Å; R788-D810 IonicContact NH1-OD2 3.38Å; R788-D810 PolarHBondContact NH1-OD2 3.28Å; R788-D810 IonicContact NH2-OD2 2.67Å
789N88.2Confident83.2Confident83 Ų8368.4 Ų68.444%0.44434%0.343SS..Hα-helixtrans-61.6-34.9-180-72.2-27.4000112.7E785 Q786 K793E785-N789 WeakPolarHBondContact O-CB 3.39Å; E785-N789 PolarHBondContact O-N 3.48Å; E785-N789 PolarHBondContact O-ND2 3.11Å; Q786-N789 PolarHBondContact O-N 2.92Å; N789-K793 WeakPolarHBondContact O-CG 3.27Å; N789-K793 PolarHBondContact O-N 3.41Å
790W88.2Confident82.5Confident102 Ų10272.4 Ų72.439%0.38636%0.362SS..Hα-helixtrans-69.1-44.5175.6177.878.2000111.6F765 Q786 W787 R788 K793 S794F765-W790 HydrophobicContact CD2-CB 3.71Å; F765-W790 AromaticContact CD2-CD2 3.74Å; F765-W790 HydrophobicContact CD2-CD2 3.74Å; F765-W790 HydrophobicContact CD2-CE3 4.16Å; F765-W790 AromaticContact CD2-CG 3.53Å; F765-W790 HydrophobicContact CD2-CG 3.53Å; F765-W790 HydrophobicContact CE2-CB 3.62Å; F765-W790 AromaticContact CE2-CD1 3.45Å; F765-W790 VanDerWaalsContact CE2-CD1 3.45Å; F765-W790 AromaticContact CE2-CD2 3.98Å; F765-W790 HydrophobicContact CE2-CD2 3.98Å; F765-W790 AromaticContact CE2-CG 3.38Å; F765-W790 HydrophobicContact CE2-CG 3.38Å; F765-W790 HydrophobicContact CZ-CB 4.42Å; F765-W790 HydrophobicContact CZ-CG 4.48Å; Q786-W790 WeakPolarHBondContact O-CB 3.48Å; Q786-W790 PolarHBondContact O-N 2.8Å; W787-W790 PolarHBondContact O-N 3.11Å; R788-W790 VanDerWaalsContact C-N 3.27Å; R788-W790 PolarHBondContact O-N 2.96Å; W790-K793 PolarHBondContact O-N 2.73Å; W790-S794 PolarHBondContact O-N 2.92Å
791L85.7Confident82Confident19 Ų1976.5 Ų76.510%0.09938%0.383CS..Hα-helixtrans-66.4-35.9175.6-75.9176000113.3W787 R788 K793 S794 S798 I801 A802 L805W787-L791 PolarHBondContact O-N 2.68Å; R788-L791 PolarHBondContact O-N 3.14Å; L791-K793 PolarHBondContact O-N 2.66Å; L791-S794 PolarHBondContact O-N 3.47Å; L791-S794 PolarHBondContact O-OG 3.2Å; L791-S798 VanDerWaalsContact O-CB 3.23Å; L791-S798 WeakPolarHBondContact O-CB 3.41Å; L791-S798 PolarHBondContact O-OG 3.41Å; L791-I801 HydrophobicContact CD1-CG2 4.05Å; L791-A802 HydrophobicContact CB-CB 3.82Å; L791-A802 HydrophobicContact CD1-CB 4.46Å; L791-L805 HydrophobicContact CD1-CD1 3.63Å
792D80.2Confident81.5Confident76 Ų7675 Ų7541%0.40637%0.373SS..Hα-helixtrans-65.4-27.1177.9-84.6-24.8000112.2R788 A799 A802R788-D792 PolarHBondContact O-N 3.47Å; D792-A799 WeakPolarHBondContact OD1-CA 3.27Å; D792-A802 WeakPolarHBondContact OD1-CB 3.35Å
793K78Confident80.9Confident183 Ų18376.1 Ų76.180%0.79638%0.382SS*.Hα-helixtrans-85.5-21.1178.6-71.3176.6-177.6-178.70113.9N789 W790 L791N789-K793 WeakPolarHBondContact O-CG 3.27Å; N789-K793 PolarHBondContact O-N 3.41Å; W790-K793 PolarHBondContact O-N 2.73Å; L791-K793 PolarHBondContact O-N 2.66Å
794S68.9Low80.5Confident65 Ų6580 Ų8046%0.45541%0.41SS..Hα-helixtrans-82.2-34.4-169.455.80000114.7W790 L791 S798W790-S794 PolarHBondContact O-N 2.92Å; L791-S794 PolarHBondContact O-N 3.47Å; L791-S794 PolarHBondContact O-OG 3.2Å; S794-S798 PolarHBondContact OG-OG 2.72Å
795N67.7Low80.3Confident115 Ų11580.9 Ų80.962%0.61541%0.414SS*.  trans-173.3165.7171.1-145.8-28.6000112.5A797 S798 A799N795-A797 VanDerWaalsContact C-N 3.28Å; N795-A797 PolarHBondContact O-N 3.08Å; N795-S798 PolarHBondContact N-OG 3.21Å; N795-S798 PolarHBondContact O-N 2.83Å; N795-S798 PolarHBondContact O-OG 3.35Å; N795-A799 PolarHBondContact O-N 2.78Å
796K61.8Low80.1Confident190 Ų19077.7 Ų77.783%0.82640%0.404SS*.Hα-helixtrans-63.2-31175.6-76.3179.9-178.51680113.3
797A62.2Low80Confident77 Ų7775 Ų7564%0.63639%0.391SS*.Hα-helixtrans-68.4-34.6176.500000112.3N795N795-A797 VanDerWaalsContact C-N 3.28Å; N795-A797 PolarHBondContact O-N 3.08Å
798S71.7Confident79.7Confident14 Ų1473.1 Ų73.110%0.09839%0.385CS..Hα-helixtrans-77.5-20.217951.10000113.2L791 S794 N795 K800 I801 A802L791-S798 VanDerWaalsContact O-CB 3.23Å; L791-S798 WeakPolarHBondContact O-CB 3.41Å; L791-S798 PolarHBondContact O-OG 3.41Å; S794-S798 PolarHBondContact OG-OG 2.72Å; N795-S798 PolarHBondContact N-OG 3.21Å; N795-S798 PolarHBondContact O-N 2.83Å; N795-S798 PolarHBondContact O-OG 3.35Å; S798-K800 VanDerWaalsContact C-N 3.28Å; S798-K800 PolarHBondContact O-N 2.84Å; S798-I801 CarbonylContact O-C 3.59Å; S798-I801 WeakPolarHBondContact O-CB 3.28Å; S798-I801 PolarHBondContact O-N 2.91Å; S798-I801 VanDerWaalsContact O-N 3.08Å; S798-A802 PolarHBondContact O-N 2.91Å
799A70.5Confident79.6Confident28 Ų2878.6 Ų78.623%0.23141%0.41CS..Hα-helixtrans-62.2-33.3173.200000113.1D792 N795 I801 N803D792-A799 WeakPolarHBondContact OD1-CA 3.27Å; N795-A799 PolarHBondContact O-N 2.78Å; A799-I801 VanDerWaalsContact C-N 3.35Å; A799-N803 PolarHBondContact O-N 3.33Å; A799-N803 VanDerWaalsContact O-N 3.08Å; A799-N803 PolarHBondContact O-ND2 2.95Å
800K78.8Confident79.5Confident173 Ų17378.9 Ų78.975%0.75241%0.411SS*.Hα-helixtrans-67.8-38173.7-169.9-179.2179.5-175.50111.5S798 S804S798-K800 VanDerWaalsContact C-N 3.28Å; S798-K800 PolarHBondContact O-N 2.84Å; K800-S804 PolarHBondContact O-N 3.42Å
801I82.2Confident79.5Confident91 Ų9179.7 Ų79.747%0.46742%0.415SS..Hα-helixtrans-69.2-44177.2-58.5174.4000109.8L791 S798 A799 N803 S804 L805L791-I801 HydrophobicContact CD1-CG2 4.05Å; S798-I801 CarbonylContact O-C 3.59Å; S798-I801 WeakPolarHBondContact O-CB 3.28Å; S798-I801 PolarHBondContact O-N 2.91Å; S798-I801 VanDerWaalsContact O-N 3.08Å; A799-I801 VanDerWaalsContact C-N 3.35Å; I801-N803 VanDerWaalsContact C-N 3.32Å; I801-N803 PolarHBondContact O-N 3.24Å; I801-S804 WeakPolarHBondContact CA-OG 3.31Å; I801-S804 WeakPolarHBondContact O-CA 3.46Å; I801-S804 WeakPolarHBondContact O-CB 3.48Å; I801-S804 PolarHBondContact O-N 3.15Å; I801-S804 PolarHBondContact O-OG 2.93Å; I801-L805 PolarHBondContact O-N 2.88Å; I801-L805 VanDerWaalsContact O-N 3.16Å
802A82.4Confident79.4Confident1 Ų182.7 Ų82.71%0.00844%0.436CS..Hα-helixtrans-54.8-47.217500000111.6L791 D792 S798 S804 L805L791-A802 HydrophobicContact CB-CB 3.82Å; L791-A802 HydrophobicContact CD1-CB 4.46Å; D792-A802 WeakPolarHBondContact OD1-CB 3.35Å; S798-A802 PolarHBondContact O-N 2.91Å; A802-S804 PolarHBondContact O-N 3.21Å; A802-L805 PolarHBondContact O-N 2.78Å
803N81.2Confident79.7Confident129 Ų12985.2 Ų85.269%0.6945%0.449SS*.Hα-helixtrans-64.9-23.7175.8-76-56.8000113.9A799 I801A799-N803 PolarHBondContact O-N 3.33Å; A799-N803 VanDerWaalsContact O-N 3.08Å; A799-N803 PolarHBondContact O-ND2 2.95Å; I801-N803 VanDerWaalsContact C-N 3.32Å; I801-N803 PolarHBondContact O-N 3.24Å
804S85.5Confident80.2Confident87 Ų8781.3 Ų81.361%0.60844%0.437SS*.Hα-helixtrans-82.9-20.617876.50000113.8K800 I801 A802 A806K800-S804 PolarHBondContact O-N 3.42Å; I801-S804 WeakPolarHBondContact CA-OG 3.31Å; I801-S804 WeakPolarHBondContact O-CA 3.46Å; I801-S804 WeakPolarHBondContact O-CB 3.48Å; I801-S804 PolarHBondContact O-N 3.15Å; I801-S804 PolarHBondContact O-OG 2.93Å; A802-S804 PolarHBondContact O-N 3.21Å; S804-A806 PolarHBondContact O-N 2.77Å
805L87.9Confident81.2Confident30 Ų3079.6 Ų79.616%0.15742%0.421CS..SBendtrans-70.1115.8175.2-67.1174.1000108.7W787 R788 L791 I801 A802W787-L805 HydrophobicContact CD2-CD1 3.47Å; W787-L805 VanDerWaalsContact CD2-CD1 3.47Å; W787-L805 HydrophobicContact CE3-CD1 3.76Å; W787-L805 HydrophobicContact CE3-CD2 4.15Å; W787-L805 HydrophobicContact CG-CD1 3.92Å; W787-L805 HydrophobicContact CH2-CD1 4.16Å; W787-L805 HydrophobicContact CH2-CD2 3.45Å; W787-L805 VanDerWaalsContact CH2-CD2 3.45Å; W787-L805 HydrophobicContact CH2-CG 4.47Å; W787-L805 HydrophobicContact CZ2-CD1 3.9Å; W787-L805 HydrophobicContact CZ2-CD2 3.85Å; W787-L805 HydrophobicContact CZ3-CD1 4.1Å; W787-L805 HydrophobicContact CZ3-CD2 3.62Å; W787-L805 HydrophobicContact CZ3-CG 4.49Å; R788-L805 HydrophobicContact CG-CB 4.17Å; R788-L805 HydrophobicContact CG-CD1 4.3Å; R788-L805 PolarHBondContact NE-O 3.06Å; R788-L805 PolarHBondContact NH2-O 3Å; L791-L805 HydrophobicContact CD1-CD1 3.63Å; I801-L805 PolarHBondContact O-N 2.88Å; I801-L805 VanDerWaalsContact O-N 3.16Å; A802-L805 PolarHBondContact O-N 2.78Å
806A88.6Confident82.1Confident26 Ų2678.6 Ų78.622%0.21542%0.421CS..  trans-75.8127.1176.100000110.4S804 Y811 L814 F815S804-A806 PolarHBondContact O-N 2.77Å; A806-Y811 HydrophobicContact CB-CD2 4.26Å; A806-L814 HydrophobicContact CB-CD1 3.67Å; A806-F815 HydrophobicContact CB-CE2 3.81Å; A806-F815 HydrophobicContact CB-CZ 4.09Å; A806-F815 WeakPolarHBondContact O-CZ 3.29Å
807N88.5Confident83.3Confident2 Ų274.7 Ų74.71%0.01141%0.409CS..  trans-90129168.3-171.5-42.3000108.3P781 V784 R788 K809 D810 Y811P781-N807 PolarHBondContact O-ND2 3.45Å; V784-N807 HydrophobicContact CG1-CB 4.18Å; R788-N807 VanDerWaalsContact CZ-CB 3.48Å; N807-K809 PolarHBondContact O-N 3.49Å; N807-K809 VanDerWaalsContact O-N 3.09Å; N807-K809 VanDerWaalsContact OD1-CB 3.32Å; N807-K809 WeakPolarHBondContact OD1-CB 3.47Å; N807-K809 PolarHBondContact OD1-N 3.46Å; N807-D810 PolarHBondContact O-N 2.97Å; N807-Y811 PolarHBondContact O-N 3.07Å
808P86.8Confident84.5Confident6 Ų672.5 Ų72.54%0.03939%0.387CS..THydrogen-bonded Turntrans-54.5-27.5178.2-18.321.4000114.8M780 P781 P812 F815 L818M780-P808 HydrophobicContact CE-CB 4.26Å; M780-P808 HydrophobicContact CE-CG 3.47Å; M780-P808 VanDerWaalsContact CE-CG 3.47Å; M780-P808 HydrophobicContact CG-CG 4.03Å; M780-P808 HydrophobicContact SD-CG 4.01Å; P781-P808 HydrophobicContact CG-CB 4.38Å; P781-P808 HydrophobicContact CG-CG 4.33Å; P808-P812 WeakPolarHBondContact O-CA 3.23Å; P808-F815 HydrophobicContact CB-CD2 3.9Å; P808-F815 HydrophobicContact CB-CE2 4.14Å; P808-F815 HydrophobicContact CB-CG 4.12Å; P808-F815 HydrophobicContact CG-CD1 4.11Å; P808-F815 HydrophobicContact CG-CD2 4.07Å; P808-F815 HydrophobicContact CG-CE1 3.96Å; P808-F815 HydrophobicContact CG-CE2 3.93Å; P808-F815 HydrophobicContact CG-CG 4.17Å; P808-F815 HydrophobicContact CG-CZ 3.88Å; P808-L818 HydrophobicContact CB-CD2 3.55Å
809K86.4Confident85.1Confident154 Ų15479.9 Ų79.967%0.6742%0.419SS*.THydrogen-bonded Turntrans-67.7-35.7176.3-171.4179.9177.1-174.40112.6P781 N807P781-K809 HydrophobicContact CB-CB 4.41Å; N807-K809 PolarHBondContact O-N 3.49Å; N807-K809 VanDerWaalsContact O-N 3.09Å; N807-K809 VanDerWaalsContact OD1-CB 3.32Å; N807-K809 WeakPolarHBondContact OD1-CB 3.47Å; N807-K809 PolarHBondContact OD1-N 3.46Å
810D86.9Confident85.9Confident88 Ų8882.2 Ų82.247%0.47143%0.426SS..THydrogen-bonded Turntrans-90.8-37-176.9-55.9-34.4000111.8R788 N807 P812R788-D810 IonicContact CZ-OD2 3.45Å; R788-D810 IonicContact NH1-OD2 3.38Å; R788-D810 PolarHBondContact NH1-OD2 3.28Å; R788-D810 IonicContact NH2-OD2 2.67Å; N807-D810 PolarHBondContact O-N 2.97Å; D810-P812 VanDerWaalsContact C-CD 3.49Å; D810-P812 WeakPolarHBondContact O-CD 3.46Å
811Y88.1Confident86.4Confident119 Ų11975.7 Ų75.747%0.46740%0.404SS..  trans-128.763.3-173.7-56.8-76.8000111.9A806 N807 N813 L814 F815A806-Y811 HydrophobicContact CB-CD2 4.26Å; N807-Y811 PolarHBondContact O-N 3.07Å; Y811-N813 PolarHBondContact O-N 3.2Å; Y811-N813 VanDerWaalsContact O-N 3.12Å; Y811-L814 HydrophobicContact CG-CD1 4.25Å; Y811-L814 PolarHBondContact O-N 3.03Å; Y811-F815 WeakPolarHBondContact O-CD2 3.27Å
812P83.8Confident86.8Confident83 Ų8374 Ų7454%0.53940%0.396SS..G310 helixtrans-59.8-28.4-175.823.9-34.5000113P808 D810 L814 F815P808-P812 WeakPolarHBondContact O-CA 3.23Å; D810-P812 VanDerWaalsContact C-CD 3.49Å; D810-P812 WeakPolarHBondContact O-CD 3.46Å; P812-L814 PolarHBondContact O-N 2.81Å; P812-F815 PolarHBondContact O-N 2.93Å; P812-F815 VanDerWaalsContact O-N 3.15Å
813N86.8Confident87Confident129 Ų12976.4 Ų76.469%0.6941%0.412SS*.G310 helixtrans-66.1-17.7177.764.6-62.3000114.3Y811 F815Y811-N813 PolarHBondContact O-N 3.2Å; Y811-N813 VanDerWaalsContact O-N 3.12Å; N813-F815 VanDerWaalsContact C-N 3.33Å
814L88.2Confident87.4Confident101 Ų10170.9 Ų70.953%0.52938%0.383SS..G310 helixtrans-86.9-5.4176.3-64.6179.1000113A806 Y811 P812 P816A806-L814 HydrophobicContact CB-CD1 3.67Å; Y811-L814 HydrophobicContact CG-CD1 4.25Å; Y811-L814 PolarHBondContact O-N 3.03Å; P812-L814 PolarHBondContact O-N 2.81Å; L814-P816 WeakPolarHBondContact O-CD 3.43Å
815F89.2Confident87.6Confident28 Ų2867.7 Ų67.712%0.12336%0.358CS..SBendtrans-120.775.5-179.2-64.2-92.1000109.3M780 A806 P808 Y811 P812 N813 L818M780-F815 HydrophobicContact CE-CD1 4.09Å; M780-F815 HydrophobicContact CE-CE1 4.38Å; M780-F815 HydrophobicContact SD-CD1 4.35Å; M780-F815 HydrophobicContact SD-CE1 4.13Å; A806-F815 HydrophobicContact CB-CE2 3.81Å; A806-F815 HydrophobicContact CB-CZ 4.09Å; A806-F815 WeakPolarHBondContact O-CZ 3.29Å; P808-F815 HydrophobicContact CB-CD2 3.9Å; P808-F815 HydrophobicContact CB-CE2 4.14Å; P808-F815 HydrophobicContact CB-CG 4.12Å; P808-F815 HydrophobicContact CG-CD1 4.11Å; P808-F815 HydrophobicContact CG-CD2 4.07Å; P808-F815 HydrophobicContact CG-CE1 3.96Å; P808-F815 HydrophobicContact CG-CE2 3.93Å; P808-F815 HydrophobicContact CG-CG 4.17Å; P808-F815 HydrophobicContact CG-CZ 3.88Å; Y811-F815 WeakPolarHBondContact O-CD2 3.27Å; P812-F815 PolarHBondContact O-N 2.93Å; P812-F815 VanDerWaalsContact O-N 3.15Å; N813-F815 VanDerWaalsContact C-N 3.33Å; F815-L818 HydrophobicContact CB-CB 4.12Å; F815-L818 HydrophobicContact CB-CD2 4.15Å; F815-L818 WeakPolarHBondContact O-CB 3.34Å; F815-L818 PolarHBondContact O-N 3.16Å
816P86.7Confident87.5Confident94 Ų9474.4 Ų74.461%0.6139%0.386SS*.THydrogen-bonded Turntrans-56.8147.9173.927.2-34.1000109.7L814 L818L814-P816 WeakPolarHBondContact O-CD 3.43Å; P816-L818 PolarHBondContact O-N 3.19Å; P816-L818 VanDerWaalsContact O-N 3.11Å
817D87.3Confident87.4Confident109 Ų10975 Ų7558%0.58338%0.383SS*.THydrogen-bonded Turntrans6510.2176.3-39.8-35.9000115.1E819 E820 A821D817-E819 VanDerWaalsContact C-N 3.34Å; D817-E819 PolarHBondContact O-N 3.28Å; D817-E820 HydrophobicContact CB-CB 4.48Å; D817-E820 WeakPolarHBondContact O-CB 3.4Å; D817-E820 PolarHBondContact O-N 3.36Å; D817-A821 PolarHBondContact O-N 3.32Å
818L86.9Confident87.3Confident31 Ų3175.6 Ų75.616%0.16239%0.386CS..Hα-helixtrans-61.6-39.1178.9-178.662.4000113.1P777 M780 P808 F815 P816 E820 A821 L822P777-L818 HydrophobicContact CB-CD1 4.46Å; M780-L818 HydrophobicContact CE-CD1 3.45Å; M780-L818 VanDerWaalsContact CE-CD1 3.45Å; P808-L818 HydrophobicContact CB-CD2 3.55Å; F815-L818 HydrophobicContact CB-CB 4.12Å; F815-L818 HydrophobicContact CB-CD2 4.15Å; F815-L818 WeakPolarHBondContact O-CB 3.34Å; F815-L818 PolarHBondContact O-N 3.16Å; P816-L818 PolarHBondContact O-N 3.19Å; P816-L818 VanDerWaalsContact O-N 3.11Å; L818-E820 VanDerWaalsContact C-N 3.31Å; L818-E820 PolarHBondContact O-N 3.45Å; L818-A821 PolarHBondContact O-N 3.2Å; L818-L822 HydrophobicContact CD1-CG 4.4Å; L818-L822 HydrophobicContact CG-CD1 4.25Å; L818-L822 HydrophobicContact CG-CG 4.47Å; L818-L822 VanDerWaalsContact O-CG 3.28Å; L818-L822 WeakPolarHBondContact O-CG 3.26Å; L818-L822 PolarHBondContact O-N 3.01Å
819E85.4Confident87.1Confident168 Ų16881 Ų8179%0.78541%0.409SS*.Hα-helixtrans-67-35.7177.9-166.8171-169.500111.5D817 S823D817-E819 VanDerWaalsContact C-N 3.34Å; D817-E819 PolarHBondContact O-N 3.28Å; E819-S823 PolarHBondContact O-N 3.14Å; E819-S823 PolarHBondContact O-OG 3.32Å
820E87.4Confident86.7Confident78 Ų7875 Ų7536%0.36439%0.391SS..Hα-helixtrans-66.5-41.9171.9-63.3-174.1170.600111D817 L818 S823 T824 H855D817-E820 HydrophobicContact CB-CB 4.48Å; D817-E820 WeakPolarHBondContact O-CB 3.4Å; D817-E820 PolarHBondContact O-N 3.36Å; L818-E820 VanDerWaalsContact C-N 3.31Å; L818-E820 PolarHBondContact O-N 3.45Å; E820-S823 WeakPolarHBondContact CA-OG 3.39Å; E820-S823 PolarHBondContact O-N 3.19Å; E820-S823 PolarHBondContact O-OG 3.2Å; E820-T824 VanDerWaalsContact O-CB 3.31Å; E820-T824 WeakPolarHBondContact O-CB 3.19Å; E820-T824 PolarHBondContact O-N 3.18Å; E820-T824 PolarHBondContact O-OG1 2.98Å; E820-H855 IonicContact OE2-CE1 2.93Å; E820-H855 PolarHBondContact OE2-CE1 2.97Å; E820-H855 IonicContact OE2-ND1 3.67Å; E820-H855 IonicContact OE2-NE2 2.91Å; E820-H855 PolarHBondContact OE2-NE2 2.84Å
821A88.8Confident86.4Confident35 Ų3571 Ų7129%0.28937%0.37SS..Hα-helixtrans-63.9-43.417600000112.5P777 D817 L818 T824 E825P777-A821 HydrophobicContact CB-CB 4.26Å; P777-A821 HydrophobicContact CG-CB 4.11Å; D817-A821 PolarHBondContact O-N 3.32Å; L818-A821 PolarHBondContact O-N 3.2Å; A821-T824 PolarHBondContact O-N 2.8Å; A821-E825 WeakPolarHBondContact O-CB 3.39Å; A821-E825 PolarHBondContact O-N 2.89Å
822L89.9Confident86Confident57 Ų5768.3 Ų68.330%0.29836%0.358SS..Hα-helixtrans-65.8-36.9177.6-71.3172000112.6P777 S778 L818 K826P777-L822 HydrophobicContact CB-CD2 4.36Å; S778-L822 VanDerWaalsContact CA-CD2 3.49Å; L818-L822 HydrophobicContact CD1-CG 4.4Å; L818-L822 HydrophobicContact CG-CD1 4.25Å; L818-L822 HydrophobicContact CG-CG 4.47Å; L818-L822 VanDerWaalsContact O-CG 3.28Å; L818-L822 WeakPolarHBondContact O-CG 3.26Å; L818-L822 PolarHBondContact O-N 3.01Å; L822-K826 WeakPolarHBondContact O-CG 3.38Å; L822-K826 PolarHBondContact O-N 2.9Å
823S87.7Confident85.7Confident50 Ų5069.8 Ų69.835%0.3536%0.358SS..Hα-helixtrans-70-38.8173.651.50000111.4E819 E820 K826 W827E819-S823 PolarHBondContact O-N 3.14Å; E819-S823 PolarHBondContact O-OG 3.32Å; E820-S823 WeakPolarHBondContact CA-OG 3.39Å; E820-S823 PolarHBondContact O-N 3.19Å; E820-S823 PolarHBondContact O-OG 3.2Å; S823-K826 PolarHBondContact O-N 3.38Å; S823-W827 PolarHBondContact O-N 3.02Å; S823-W827 VanDerWaalsContact O-N 3.14Å
824T88.4Confident85Confident13 Ų1364 Ų648%0.0833%0.328CS..Hα-helixtrans-65.1-43.5176.9-55.50000111.2E820 A821 K826 W827 L828 L854 M858E820-T824 VanDerWaalsContact O-CB 3.31Å; E820-T824 WeakPolarHBondContact O-CB 3.19Å; E820-T824 PolarHBondContact O-N 3.18Å; E820-T824 PolarHBondContact O-OG1 2.98Å; A821-T824 PolarHBondContact O-N 2.8Å; T824-K826 PolarHBondContact O-N 3.49Å; T824-W827 PolarHBondContact O-N 2.99Å; T824-L828 HydrophobicContact CG2-CD1 3.84Å; T824-L828 HydrophobicContact CG2-CG 4.15Å; T824-L828 WeakPolarHBondContact O-CB 3.37Å; T824-L828 VanDerWaalsContact O-CG 3.27Å; T824-L828 WeakPolarHBondContact O-CG 3.32Å; T824-L828 PolarHBondContact O-N 3.11Å; T824-L854 HydrophobicContact CG2-CB 4.08Å; T824-M858 WeakPolarHBondContact CA-SD 3.34Å; T824-M858 HydrophobicContact CG2-CB 4.41Å; T824-M858 PolarHBondContact N-SD 2.6Å
825E90.2Very high84.3Confident20 Ų2062 Ų629%0.09331%0.314CS..Hα-helixtrans-56.1-47.6174.6179.2-172.3-163.600112.1L776 P777 S778 A821 W827 L828 K829L776-E825 VanDerWaalsContact CA-OE1 3.26Å; L776-E825 WeakPolarHBondContact CA-OE1 3.25Å; P777-E825 VanDerWaalsContact CD-CD 3.49Å; P777-E825 HydrophobicContact CG-CB 3.9Å; P777-E825 HydrophobicContact CG-CG 4.33Å; P777-E825 WeakPolarHBondContact CG-OE2 3.44Å; S778-E825 WeakPolarHBondContact CB-OE1 3.45Å; S778-E825 WeakPolarHBondContact CB-OE2 3.4Å; S778-E825 PolarHBondContact N-OE2 3.13Å; S778-E825 VanDerWaalsContact OG-CD 3.29Å; S778-E825 PolarHBondContact OG-OE1 2.9Å; S778-E825 PolarHBondContact OG-OE2 3.02Å; A821-E825 WeakPolarHBondContact O-CB 3.39Å; A821-E825 PolarHBondContact O-N 2.89Å; E825-W827 VanDerWaalsContact C-N 3.3Å; E825-W827 PolarHBondContact O-N 2.85Å; E825-L828 PolarHBondContact O-N 3.13Å; E825-K829 PolarHBondContact O-N 3.38Å
826K86.7Confident83.4Confident171 Ų17163.5 Ų63.574%0.74332%0.323SS*.Hα-helixtrans-61.5-38.8178-74.9177.6-177174.10112.4L822 S823 T824L822-K826 WeakPolarHBondContact O-CG 3.38Å; L822-K826 PolarHBondContact O-N 2.9Å; S823-K826 PolarHBondContact O-N 3.38Å; T824-K826 PolarHBondContact O-N 3.49Å
827W86.3Confident82.4Confident39 Ų3962.1 Ų62.115%0.14831%0.31CS..Hα-helixtrans-70.2-43.5175.4176.584.3000111.6S823 T824 E825 K829 G830 D831 E857 M858 P862S823-W827 PolarHBondContact O-N 3.02Å; S823-W827 VanDerWaalsContact O-N 3.14Å; T824-W827 PolarHBondContact O-N 2.99Å; E825-W827 VanDerWaalsContact C-N 3.3Å; E825-W827 PolarHBondContact O-N 2.85Å; W827-K829 PolarHBondContact O-N 2.89Å; W827-G830 PolarHBondContact O-N 3.49Å; W827-G830 VanDerWaalsContact O-N 3.13Å; W827-D831 HydrophobicContact CH2-CB 4.21Å; W827-D831 HydrophobicContact CZ3-CB 4.26Å; W827-D831 PolarHBondContact O-N 2.97Å; W827-E857 HydrophobicContact CH2-CB 3.78Å; W827-E857 HydrophobicContact CZ3-CB 4.15Å; W827-M858 HydrophobicContact CB-CB 4.4Å; W827-M858 HydrophobicContact CB-CG 3.72Å; W827-M858 HydrophobicContact CB-SD 4.49Å; W827-M858 HydrophobicContact CD2-CB 4.01Å; W827-M858 HydrophobicContact CD2-CG 4.21Å; W827-M858 HydrophobicContact CE3-CB 4.01Å; W827-M858 HydrophobicContact CG-CB 4.17Å; W827-M858 HydrophobicContact CG-CG 3.82Å; W827-P862 HydrophobicContact CZ2-CG 4.1Å
828L85.6Confident81.6Confident14 Ų1459.1 Ų59.17%0.07329%0.294CS..Hα-helixtrans-60.7-31.4179.1-79.5170.2000112.9T824 E825 G830 D831 R832 L854T824-L828 HydrophobicContact CG2-CD1 3.84Å; T824-L828 HydrophobicContact CG2-CG 4.15Å; T824-L828 WeakPolarHBondContact O-CB 3.37Å; T824-L828 VanDerWaalsContact O-CG 3.27Å; T824-L828 WeakPolarHBondContact O-CG 3.32Å; T824-L828 PolarHBondContact O-N 3.11Å; E825-L828 PolarHBondContact O-N 3.13Å; L828-G830 VanDerWaalsContact C-N 3.28Å; L828-G830 PolarHBondContact O-N 2.94Å; L828-D831 PolarHBondContact O-N 2.83Å; L828-R832 WeakPolarHBondContact O-CB 3.38Å; L828-R832 VanDerWaalsContact O-CG 3.28Å; L828-R832 WeakPolarHBondContact O-CG 3.5Å; L828-R832 PolarHBondContact O-N 3.14Å; L828-L854 HydrophobicContact CD1-CB 4.44Å; L828-L854 HydrophobicContact CD1-CD1 3.86Å; L828-L854 HydrophobicContact CD2-CB 4.38Å; L828-L854 HydrophobicContact CD2-CD1 4.07Å; L828-L854 HydrophobicContact CD2-CD2 3.99Å; L828-L854 HydrophobicContact CD2-CG 4.36Å
829K82.3Confident80.8Confident120 Ų12059.5 Ų59.552%0.52230%0.298SS..Hα-helixtrans-56-45.3175.2-169.7170.3-175.7161.60111.6E825 W827 E833E825-K829 PolarHBondContact O-N 3.38Å; W827-K829 PolarHBondContact O-N 2.89Å; K829-E833 WeakPolarHBondContact O-CG 3.2Å; K829-E833 PolarHBondContact O-N 3.43Å; K829-E833 VanDerWaalsContact O-N 3.11Å
830G79.1Confident80.1Confident28 Ų2856 Ų5629%0.28930%0.298SS..Hα-helixtrans-70.1-37.2175.400000113.6W827 L828 A834W827-G830 PolarHBondContact O-N 3.49Å; W827-G830 VanDerWaalsContact O-N 3.13Å; L828-G830 VanDerWaalsContact C-N 3.28Å; L828-G830 PolarHBondContact O-N 2.94Å; G830-A834 WeakPolarHBondContact O-CB 3.3Å; G830-A834 PolarHBondContact O-N 3.23Å
831D79.9Confident79.5Confident5 Ų557.1 Ų57.13%0.02731%0.314CS..Hα-helixtrans-64.3-43.4175.1-179.461.1000111.9W827 L828 A834 R835 R852W827-D831 HydrophobicContact CH2-CB 4.21Å; W827-D831 HydrophobicContact CZ3-CB 4.26Å; W827-D831 PolarHBondContact O-N 2.97Å; L828-D831 PolarHBondContact O-N 2.83Å; D831-A834 PolarHBondContact O-N 2.99Å; D831-R835 VanDerWaalsContact CG-NE 3.26Å; D831-R835 WeakPolarHBondContact O-CB 3.34Å; D831-R835 VanDerWaalsContact O-CG 3.26Å; D831-R835 WeakPolarHBondContact O-CG 3.12Å; D831-R835 PolarHBondContact O-N 2.99Å; D831-R835 IonicContact OD1-CZ 2.85Å; D831-R835 IonicContact OD1-NE 3.74Å; D831-R835 PolarHBondContact OD1-NE 2.74Å; D831-R835 IonicContact OD1-NH2 3.02Å; D831-R835 WeakPolarHBondContact OD2-CD 3.46Å; D831-R835 IonicContact OD2-CZ 3.58Å; D831-R835 IonicContact OD2-NE 3.84Å; D831-R835 PolarHBondContact OD2-NE 3.13Å; D831-R852 IonicContact OD1-NH2 3.75Å; D831-R852 IonicContact OD2-CZ 2.69Å; D831-R852 IonicContact OD2-NH1 3.62Å; D831-R852 PolarHBondContact OD2-NH1 3.14Å; D831-R852 IonicContact OD2-NH2 3.31Å; D831-R852 PolarHBondContact OD2-NH2 2.79Å
832R80Confident78.8Confident61 Ų6156.2 Ų56.223%0.2331%0.306CS..Hα-helixtrans-60.8-51.5175.6-73.1171.9-179.3157.5-0.7110.4L828 A834 R835 L836L828-R832 WeakPolarHBondContact O-CB 3.38Å; L828-R832 VanDerWaalsContact O-CG 3.28Å; L828-R832 WeakPolarHBondContact O-CG 3.5Å; L828-R832 PolarHBondContact O-N 3.14Å; R832-A834 PolarHBondContact O-N 3.35Å; R832-R835 PolarHBondContact O-N 3.32Å; R832-L836 VanDerWaalsContact O-CG 3.3Å; R832-L836 WeakPolarHBondContact O-CG 3.49Å; R832-L836 PolarHBondContact O-N 2.79Å
833E76Confident78.2Confident115 Ų11561 Ų6154%0.53732%0.322SS..Hα-helixtrans-55-38.5176.5-76.3175.3-168.200112.9K829K829-E833 WeakPolarHBondContact O-CG 3.2Å; K829-E833 PolarHBondContact O-N 3.43Å; K829-E833 VanDerWaalsContact O-N 3.11Å
834A73Confident77.9Confident6 Ų663.9 Ų63.95%0.0534%0.339CS..Hα-helixtrans-70.3-40.5176.100000113.4G830 D831 R832 L836 M865G830-A834 WeakPolarHBondContact O-CB 3.3Å; G830-A834 PolarHBondContact O-N 3.23Å; D831-A834 PolarHBondContact O-N 2.99Å; R832-A834 PolarHBondContact O-N 3.35Å; A834-L836 VanDerWaalsContact C-N 3.33Å; A834-M865 HydrophobicContact CB-CB 3.88Å; A834-M865 WeakPolarHBondContact CB-O 3.33Å
835R74.4Confident77.4Confident61 Ų6168.5 Ų68.523%0.2337%0.368CS..Hα-helixtrans-73.4-25.1-178.9-72.7173.7-178.5-92.9-0.3113.1D831 R832 N837 L838 R852D831-R835 VanDerWaalsContact CG-NE 3.26Å; D831-R835 WeakPolarHBondContact O-CB 3.34Å; D831-R835 VanDerWaalsContact O-CG 3.26Å; D831-R835 WeakPolarHBondContact O-CG 3.12Å; D831-R835 PolarHBondContact O-N 2.99Å; D831-R835 IonicContact OD1-CZ 2.85Å; D831-R835 IonicContact OD1-NE 3.74Å; D831-R835 PolarHBondContact OD1-NE 2.74Å; D831-R835 IonicContact OD1-NH2 3.02Å; D831-R835 WeakPolarHBondContact OD2-CD 3.46Å; D831-R835 IonicContact OD2-CZ 3.58Å; D831-R835 IonicContact OD2-NE 3.84Å; D831-R835 PolarHBondContact OD2-NE 3.13Å; R832-R835 PolarHBondContact O-N 3.32Å; R835-N837 PolarHBondContact O-N 3.43Å; R835-N837 VanDerWaalsContact O-N 3.1Å; R835-L838 HydrophobicContact CB-CD1 3.88Å; R835-L838 HydrophobicContact CG-CD1 3.82Å; R835-L838 VanDerWaalsContact O-CB 3.3Å; R835-L838 WeakPolarHBondContact O-CB 3.5Å; R835-L838 WeakPolarHBondContact O-CG 3.49Å; R835-L838 PolarHBondContact O-N 2.89Å; R835-R852 VanDerWaalsContact NH2-CZ 3.25Å
836L69.7Low76.8Confident59 Ų5970 Ų7031%0.30937%0.374SS..THydrogen-bonded Turntrans-55.9-25.3177.5-84.8-178.7000113.8R723 T750 R832 A834R723-L836 VanDerWaalsContact CZ-CD2 3.47Å; R723-L836 VanDerWaalsContact NH1-CB 3.33Å; T750-L836 VanDerWaalsContact OG1-CD2 3.31Å; T750-L836 WeakPolarHBondContact OG1-CD2 3.47Å; R832-L836 VanDerWaalsContact O-CG 3.3Å; R832-L836 WeakPolarHBondContact O-CG 3.49Å; R832-L836 PolarHBondContact O-N 2.79Å; A834-L836 VanDerWaalsContact C-N 3.33Å
837N66.3Low76.4Confident65 Ų6567.7 Ų67.735%0.34837%0.366SS..THydrogen-bonded Turntrans-10311.8-178.8-61.9-27.5000113.4R835 S868R835-N837 PolarHBondContact O-N 3.43Å; R835-N837 VanDerWaalsContact O-N 3.1Å; N837-S868 VanDerWaalsContact C-OG 3.31Å; N837-S868 WeakPolarHBondContact CB-O 3.49Å; N837-S868 PolarHBondContact O-OG 2.92Å
838L70.5Confident75.9Confident46 Ų4670 Ų7024%0.24138%0.381CS..  trans-70.4126.8-179.8-79.7169.5000110.9R835 A842 Q846 M865R835-L838 HydrophobicContact CB-CD1 3.88Å; R835-L838 HydrophobicContact CG-CD1 3.82Å; R835-L838 VanDerWaalsContact O-CB 3.3Å; R835-L838 WeakPolarHBondContact O-CB 3.5Å; R835-L838 WeakPolarHBondContact O-CG 3.49Å; R835-L838 PolarHBondContact O-N 2.89Å; L838-A842 HydrophobicContact CD2-CB 3.99Å; L838-Q846 HydrophobicContact CD1-CG 4.36Å; L838-M865 HydrophobicContact CD2-CE 3.6Å
839P69Low75.3Confident39 Ų3974.6 Ų74.625%0.25341%0.412SS..  trans-66.6147.7173.228.8-33.8000109.7S841 A842 F870P839-S841 PolarHBondContact O-N 3.49Å; P839-A842 HydrophobicContact CG-CB 4.43Å; P839-A842 VanDerWaalsContact O-CB 3.31Å; P839-A842 WeakPolarHBondContact O-CB 3.24Å; P839-A842 PolarHBondContact O-N 3.01Å; P839-F870 HydrophobicContact CB-CD2 4.45Å; P839-F870 HydrophobicContact CB-CE2 4.32Å
840A70.3Confident74.9Confident94 Ų9472.6 Ų72.678%0.77743%0.426SS*.G310 helixtrans-53.1-2917900000113.2A842 Y843A840-A842 PolarHBondContact O-N 2.97Å; A840-Y843 WeakPolarHBondContact O-CB 3.36Å; A840-Y843 PolarHBondContact O-N 3.41Å
841S74.5Confident75.1Confident101 Ų10176.8 Ų76.871%0.70644%0.441SS*.G310 helixtrans-61.1-21.8174.757.90000114.5P839 Y843 P844P839-S841 PolarHBondContact O-N 3.49Å; S841-Y843 VanDerWaalsContact C-N 3.28Å; S841-P844 WeakPolarHBondContact O-CD 3.08Å
842A75.2Confident75.3Confident16 Ų1678.5 Ų78.513%0.13245%0.447CS..G310 helixtrans-77.4-14.6176.800000112.5L838 P839 A840 P844 T845 Q846L838-A842 HydrophobicContact CD2-CB 3.99Å; P839-A842 HydrophobicContact CG-CB 4.43Å; P839-A842 VanDerWaalsContact O-CB 3.31Å; P839-A842 WeakPolarHBondContact O-CB 3.24Å; P839-A842 PolarHBondContact O-N 3.01Å; A840-A842 PolarHBondContact O-N 2.97Å; A842-P844 VanDerWaalsContact C-CD 3.46Å; A842-T845 PolarHBondContact O-N 3.42Å; A842-T845 PolarHBondContact O-OG1 3.22Å; A842-Q846 WeakPolarHBondContact O-CG 3.48Å; A842-Q846 PolarHBondContact O-N 3.35Å
843Y77.4Confident75.6Confident158 Ų15880.4 Ų80.462%0.6246%0.462SS*.G310 helixtrans-49.6-46.8-175.5178.7-98.3000114.5A840 S841 T845 Q846A840-Y843 WeakPolarHBondContact O-CB 3.36Å; A840-Y843 PolarHBondContact O-N 3.41Å; S841-Y843 VanDerWaalsContact C-N 3.28Å; Y843-T845 PolarHBondContact O-N 2.73Å; Y843-Q846 PolarHBondContact O-N 2.86Å
844P80.7Confident76Confident110 Ų11077.7 Ų77.771%0.71445%0.451SS*.G310 helixtrans-63.9-17.3-179.5-20.933.9000114.4S841 A842S841-P844 WeakPolarHBondContact O-CD 3.08Å; A842-P844 VanDerWaalsContact C-CD 3.46Å
845T78.6Confident76.4Confident111 Ų11179.8 Ų79.868%0.68146%0.46SS*.G310 helixtrans-96.8-6.9179.165.90000112.8A842 Y843A842-T845 PolarHBondContact O-N 3.42Å; A842-T845 PolarHBondContact O-OG1 3.22Å; Y843-T845 PolarHBondContact O-N 2.73Å
846Q76.9Confident76.9Confident50 Ų5078.3 Ų78.323%0.23446%0.461CS..SBendtrans-87.7136.9177.2-59.6-51.1-54.500110L838 A842 Y843L838-Q846 HydrophobicContact CD1-CG 4.36Å; A842-Q846 WeakPolarHBondContact O-CG 3.48Å; A842-Q846 PolarHBondContact O-N 3.35Å; Y843-Q846 PolarHBondContact O-N 2.86Å
847Q78Confident77.6Confident123 Ų12377.2 Ų77.258%0.57545%0.454SS*.PPolyproline II helixtrans-69.2137.1164.9-76.3178.9-22.300109.3R852Q847-R852 HydrophobicContact CB-CG 3.9Å
848L76.5Confident78.5Confident88 Ų8875.3 Ų75.346%0.46144%0.443SS..PPolyproline II helixtrans-61.3144.7175.2-67.5170.3000109.1G850 D851L848-G850 PolarHBondContact O-N 3.5Å; L848-G850 VanDerWaalsContact O-N 3.08Å; L848-D851 PolarHBondContact O-N 2.93Å
849P72.4Confident79Confident111 Ų11178.6 Ų78.672%0.72146%0.457SS*.G310 helixtrans-53.2-34.1-176.7-2935.3000114.6D851P849-D851 VanDerWaalsContact C-N 3.32Å; P849-D851 PolarHBondContact O-N 3.38Å
850G75.2Confident79.6Confident78 Ų7883 Ų8380%0.80448%0.479SS*.G310 helixtrans-73.8-17.9178.400000115.1L848L848-G850 PolarHBondContact O-N 3.5Å; L848-G850 VanDerWaalsContact O-N 3.08Å
851D82.4Confident79.5Confident116 Ų11686.6 Ų86.662%0.6248%0.477SS*.G310 helixtrans-94.7-4.9-179.7-62.8-32.2000112.5L848 P849L848-D851 PolarHBondContact O-N 2.93Å; P849-D851 VanDerWaalsContact C-N 3.32Å; P849-D851 PolarHBondContact O-N 3.38Å
852R84.7Confident79Confident40 Ų4084.6 Ų84.615%0.15146%0.462CS..  trans-85.8127.8-178.5-68.7-176.767.4-165.32.3111.1D831 R835 Q847 L854 E857D831-R852 IonicContact OD1-NH2 3.75Å; D831-R852 IonicContact OD2-CZ 2.69Å; D831-R852 IonicContact OD2-NH1 3.62Å; D831-R852 PolarHBondContact OD2-NH1 3.14Å; D831-R852 IonicContact OD2-NH2 3.31Å; D831-R852 PolarHBondContact OD2-NH2 2.79Å; R835-R852 VanDerWaalsContact NH2-CZ 3.25Å; Q847-R852 HydrophobicContact CB-CG 3.9Å; R852-L854 HydrophobicContact CB-CD2 3.7Å; R852-L854 HydrophobicContact CB-CG 4.46Å; R852-L854 PolarHBondContact O-N 2.94Å; R852-E857 WeakPolarHBondContact CB-OE1 3.49Å; R852-E857 IonicContact CZ-OE1 3.71Å; R852-E857 IonicContact CZ-OE2 3.84Å; R852-E857 IonicContact NE-OE1 3.86Å; R852-E857 PolarHBondContact NE-OE1 3.49Å; R852-E857 IonicContact NE-OE2 3.6Å; R852-E857 PolarHBondContact NE-OE2 2.92Å; R852-E857 IonicContact NH2-OE1 2.75Å; R852-E857 IonicContact NH2-OE2 2.82Å; R852-E857 PolarHBondContact NH2-OE2 3.43Å
853D85.3Confident78.3Confident101 Ų10191 Ų9154%0.5449%0.492SS..  trans-92.789.3164.2-175.3-16.6000109.1H855 A856 E857D853-H855 PolarHBondContact O-N 2.95Å; D853-H855 PolarHBondContact OD1-N 2.78Å; D853-A856 HydrophobicContact CB-CB 3.98Å; D853-A856 VanDerWaalsContact CG-CB 3.44Å; D853-A856 PolarHBondContact O-N 3.04Å; D853-A856 PolarHBondContact OD1-N 3.32Å; D853-A856 WeakPolarHBondContact OD2-CB 3.03Å; D853-E857 WeakPolarHBondContact O-CG 3.19Å; D853-E857 PolarHBondContact O-N 2.84Å
854L84.4Confident77.3Confident59 Ų5986.1 Ų86.131%0.30948%0.479SS..Hα-helixtrans-62.9-30.9-172.9-54.8178.3000112.7T824 L828 R852 M858T824-L854 HydrophobicContact CG2-CB 4.08Å; L828-L854 HydrophobicContact CD1-CB 4.44Å; L828-L854 HydrophobicContact CD1-CD1 3.86Å; L828-L854 HydrophobicContact CD2-CB 4.38Å; L828-L854 HydrophobicContact CD2-CD1 4.07Å; L828-L854 HydrophobicContact CD2-CD2 3.99Å; L828-L854 HydrophobicContact CD2-CG 4.36Å; R852-L854 HydrophobicContact CB-CD2 3.7Å; R852-L854 HydrophobicContact CB-CG 4.46Å; R852-L854 PolarHBondContact O-N 2.94Å; L854-M858 PolarHBondContact O-N 2.98Å
855H82.7Confident76.2Confident50 Ų5084.4 Ų84.423%0.23146%0.463CS..Hα-helixtrans-72.6-45.8178.5179.8-119.5000110.7E820 D853 E857 M858 Q859E820-H855 IonicContact OE2-CE1 2.93Å; E820-H855 PolarHBondContact OE2-CE1 2.97Å; E820-H855 IonicContact OE2-ND1 3.67Å; E820-H855 IonicContact OE2-NE2 2.91Å; E820-H855 PolarHBondContact OE2-NE2 2.84Å; D853-H855 PolarHBondContact O-N 2.95Å; D853-H855 PolarHBondContact OD1-N 2.78Å; H855-E857 VanDerWaalsContact C-N 3.3Å; H855-E857 PolarHBondContact O-N 3.45Å; H855-M858 PolarHBondContact O-N 3.49Å; H855-Q859 PolarHBondContact CE1-NE2 2.78Å; H855-Q859 PolarHBondContact NE2-NE2 3.37Å; H855-Q859 VanDerWaalsContact NE2-NE2 3.15Å; H855-Q859 WeakPolarHBondContact O-CG 3.37Å; H855-Q859 PolarHBondContact O-N 3.34Å
856A84.5Confident75.1Confident30 Ų3087.2 Ų87.225%0.24847%0.468CS..Hα-helixtrans-62.1-39.417400000111.8D853 Q859 N860D853-A856 HydrophobicContact CB-CB 3.98Å; D853-A856 VanDerWaalsContact CG-CB 3.44Å; D853-A856 PolarHBondContact O-N 3.04Å; D853-A856 PolarHBondContact OD1-N 3.32Å; D853-A856 WeakPolarHBondContact OD2-CB 3.03Å; A856-Q859 PolarHBondContact O-N 3.48Å; A856-N860 WeakPolarHBondContact O-CB 3.5Å; A856-N860 VanDerWaalsContact O-CG 3.28Å; A856-N860 PolarHBondContact O-N 3.33Å; A856-N860 PolarHBondContact O-ND2 2.77Å
857E84Confident74.1Confident35 Ų3588.8 Ų88.816%0.16448%0.483CS..Hα-helixtrans-59.1-51.8173.1-74.4-174.6-134.900111W827 R852 D853 H855 Q859 N860 K861 P862W827-E857 HydrophobicContact CH2-CB 3.78Å; W827-E857 HydrophobicContact CZ3-CB 4.15Å; R852-E857 WeakPolarHBondContact CB-OE1 3.49Å; R852-E857 IonicContact CZ-OE1 3.71Å; R852-E857 IonicContact CZ-OE2 3.84Å; R852-E857 IonicContact NE-OE1 3.86Å; R852-E857 PolarHBondContact NE-OE1 3.49Å; R852-E857 IonicContact NE-OE2 3.6Å; R852-E857 PolarHBondContact NE-OE2 2.92Å; R852-E857 IonicContact NH2-OE1 2.75Å; R852-E857 IonicContact NH2-OE2 2.82Å; R852-E857 PolarHBondContact NH2-OE2 3.43Å; D853-E857 WeakPolarHBondContact O-CG 3.19Å; D853-E857 PolarHBondContact O-N 2.84Å; H855-E857 VanDerWaalsContact C-N 3.3Å; H855-E857 PolarHBondContact O-N 3.45Å; E857-Q859 PolarHBondContact O-N 3.05Å; E857-N860 PolarHBondContact O-N 2.7Å; E857-K861 PolarHBondContact O-N 3.15Å; E857-P862 WeakPolarHBondContact O-CD 3.5Å
858M84.8Confident72.9Confident25 Ų2584.9 Ų84.912%0.12347%0.469CS..Hα-helixtrans-57.5-46.3177.3-178.5-151.256.900112.2T824 W827 L854 H855 N860 K861T824-M858 WeakPolarHBondContact CA-SD 3.34Å; T824-M858 HydrophobicContact CG2-CB 4.41Å; T824-M858 PolarHBondContact N-SD 2.6Å; W827-M858 HydrophobicContact CB-CB 4.4Å; W827-M858 HydrophobicContact CB-CG 3.72Å; W827-M858 HydrophobicContact CB-SD 4.49Å; W827-M858 HydrophobicContact CD2-CB 4.01Å; W827-M858 HydrophobicContact CD2-CG 4.21Å; W827-M858 HydrophobicContact CE3-CB 4.01Å; W827-M858 HydrophobicContact CG-CB 4.17Å; W827-M858 HydrophobicContact CG-CG 3.82Å; L854-M858 PolarHBondContact O-N 2.98Å; H855-M858 PolarHBondContact O-N 3.49Å; M858-N860 VanDerWaalsContact C-N 3.29Å; M858-N860 PolarHBondContact O-N 3.48Å; M858-K861 WeakPolarHBondContact O-CA 3.24Å; M858-K861 WeakPolarHBondContact O-CG 3.23Å; M858-K861 PolarHBondContact O-N 3.32Å
859Q82.7Confident71.5Confident115 Ų11589.5 Ų89.554%0.53749%0.493SS..Hα-helixtrans-61.4-38.2-178.4-75.4-165.2-8.100112.6H855 A856 E857 K861H855-Q859 PolarHBondContact CE1-NE2 2.78Å; H855-Q859 PolarHBondContact NE2-NE2 3.37Å; H855-Q859 VanDerWaalsContact NE2-NE2 3.15Å; H855-Q859 WeakPolarHBondContact O-CG 3.37Å; H855-Q859 PolarHBondContact O-N 3.34Å; A856-Q859 PolarHBondContact O-N 3.48Å; E857-Q859 PolarHBondContact O-N 3.05Å; Q859-K861 PolarHBondContact O-N 2.9Å
860N81.2Confident70.5Confident131 Ų13190.7 Ų90.770%0.70149%0.487SS*.THydrogen-bonded Turntrans-71.5-7176.7-72.2-41.6000113A856 E857 M858 P862A856-N860 WeakPolarHBondContact O-CB 3.5Å; A856-N860 VanDerWaalsContact O-CG 3.28Å; A856-N860 PolarHBondContact O-N 3.33Å; A856-N860 PolarHBondContact O-ND2 2.77Å; E857-N860 PolarHBondContact O-N 2.7Å; M858-N860 VanDerWaalsContact C-N 3.29Å; M858-N860 PolarHBondContact O-N 3.48Å; N860-P862 VanDerWaalsContact C-N 3.26Å; N860-P862 VanDerWaalsContact O-N 3.14Å
861K68.4Low69.2Low171 Ų17192.6 Ų92.674%0.74348%0.479SS*.  trans39.448.4-177.2-63-174.9-179.6-179.30113.2E857 M858 Q859 I863E857-K861 PolarHBondContact O-N 3.15Å; M858-K861 WeakPolarHBondContact O-CA 3.24Å; M858-K861 WeakPolarHBondContact O-CG 3.23Å; M858-K861 PolarHBondContact O-N 3.32Å; Q859-K861 PolarHBondContact O-N 2.9Å; K861-I863 PolarHBondContact O-N 2.84Å
862P63.7Low67.5Low59 Ų5991.3 Ų91.338%0.38347%0.472SS..PPolyproline II helixtrans-57.4136.2167.628.6-29.7000106.7W827 E857 N860 P864W827-P862 HydrophobicContact CZ2-CG 4.1Å; E857-P862 WeakPolarHBondContact O-CD 3.5Å; N860-P862 VanDerWaalsContact C-N 3.26Å; N860-P862 VanDerWaalsContact O-N 3.14Å; P862-P864 WeakPolarHBondContact O-CD 3.5Å; P862-P864 VanDerWaalsContact O-N 3.1Å
863I59.6Low65.6Low149 Ų14995.4 Ų95.476%0.76450%0.497SS*.PPolyproline II helixtrans-53.2123.3176.6-58170.8000105.8K861 M865K861-I863 PolarHBondContact O-N 2.84Å; I863-M865 PolarHBondContact O-N 3.01Å
864P56.3Low63.8Low56 Ų5696 Ų9636%0.36450%0.5SS..PPolyproline II helixtrans-48.6135.9173.4-24.332.1000108P862 Q866P862-P864 WeakPolarHBondContact O-CD 3.5Å; P862-P864 VanDerWaalsContact O-N 3.1Å; P864-Q866 PolarHBondContact O-N 2.88Å
865M59Low61.8Low74 Ų7498.3 Ų98.337%0.36552%0.518SS..PPolyproline II helixtrans-47.7135.1-179.3-76.4-170.963.700109.3A834 L838 I863A834-M865 HydrophobicContact CB-CB 3.88Å; A834-M865 WeakPolarHBondContact CB-O 3.33Å; L838-M865 HydrophobicContact CD2-CE 3.6Å; I863-M865 PolarHBondContact O-N 3.01Å
866Q55.6Low60Low170 Ų17098.8 Ų98.879%0.79452%0.52SS*.PPolyproline II helixtrans-66132.8173.5-77.3-172.2-13.200107.7P864 S868P864-Q866 PolarHBondContact O-N 2.88Å; Q866-S868 PolarHBondContact O-N 3.27Å
867P54.1Low58.1Low84 Ų84101.7 Ų101.755%0.54553%0.531SS..PPolyproline II helixtrans-56.9119.7176.621.3-30.1000108L869P867-L869 PolarHBondContact O-N 3.41Å
868S53.3Low56.2Low40 Ų40102.8 Ų102.828%0.2855%0.546SS..PPolyproline II helixtrans-61.3125.2168.826.80000107.8N837 Q866 F870N837-S868 VanDerWaalsContact C-OG 3.31Å; N837-S868 WeakPolarHBondContact CB-O 3.49Å; N837-S868 PolarHBondContact O-OG 2.92Å; Q866-S868 PolarHBondContact O-N 3.27Å; S868-F870 PolarHBondContact O-N 3.06Å
869L48.5Very low54.2Low185 Ų185108.4 Ų108.497%0.96958%0.577SS**  trans-69.474.6162.4-79.1149.8000107.3P867P867-L869 PolarHBondContact O-N 3.41Å
870F50.9Low52.2Low136 Ų136107.6 Ų107.660%0.59658%0.575SS**  trans-96.1124.9166.6-145.2-92.5000107.8P839 S868P839-F870 HydrophobicContact CB-CD2 4.45Å; P839-F870 HydrophobicContact CB-CE2 4.32Å; S868-F870 PolarHBondContact O-N 3.06Å
871D46.8Very low50.4Low118 Ų118103.9 Ų103.963%0.63156%0.555SS**  trans-82.3116.3178.8-167.23.4000107.9N873D871-N873 PolarHBondContact O-N 3.04Å; D871-N873 PolarHBondContact OD1-ND2 3.46Å; D871-N873 PolarHBondContact OD2-ND2 2.75Å
872D48.3Very low49Very low89 Ų8999.4 Ų99.448%0.47654%0.543SS..  trans-7244.3-176.3-115.57.4000112.4K724 L874K724-D872 PolarHBondContact NZ-O 3.05Å; D872-L874 PolarHBondContact O-N 3.28Å
873N43.1Very low47.6Very low127 Ų127102.2 Ų102.268%0.67956%0.56SS**  trans-80.645.7176.4-80.7-34.1000112.1D871D871-N873 PolarHBondContact O-N 3.04Å; D871-N873 PolarHBondContact OD1-ND2 3.46Å; D871-N873 PolarHBondContact OD2-ND2 2.75Å
874L48Very low46.3Very low113 Ų113101.2 Ų101.259%0.59256%0.56SS**SBendtrans-81.7118142.8-82160.5000105.8D872 F876D872-L874 PolarHBondContact O-N 3.28Å; L874-F876 VanDerWaalsContact C-N 3.26Å; L874-F876 PolarHBondContact O-N 3.11Å
875P42.7Very low45Very low108 Ų108103.9 Ų103.970%0.70158%0.576SS**  trans-73.783-173.630.1-33.3000109.7N877P875-N877 PolarHBondContact O-N 2.83Å
876F44.9Very low43.5Very low60 Ų60108.1 Ų108.126%0.26360%0.599SS.*  trans-77.8108.1155.9-178-106.3000107.4K724 L874 A878 I881K724-F876 HydrophobicContact CB-CB 4.36Å; K724-F876 HydrophobicContact CB-CD1 4.21Å; K724-F876 HydrophobicContact CB-CG 4.21Å; K724-F876 HydrophobicContact CD-CB 3.87Å; K724-F876 HydrophobicContact CD-CD1 4.25Å; K724-F876 HydrophobicContact CD-CG 4.37Å; L874-F876 VanDerWaalsContact C-N 3.26Å; L874-F876 PolarHBondContact O-N 3.11Å; F876-A878 HydrophobicContact CD1-CB 4.13Å; F876-A878 HydrophobicContact CE1-CB 3.6Å; F876-A878 HydrophobicContact CZ-CB 4.4Å; F876-I881 HydrophobicContact CZ-CD1 4.41Å
877N45.2Very low42.2Very low91 Ų91104.8 Ų104.849%0.48759%0.594SS.*  trans-9790.1173.6-156.4-1.6000107.6P875 N879 L880P875-N877 PolarHBondContact O-N 2.83Å; N877-N879 PolarHBondContact O-N 3.15Å; N877-N879 PolarHBondContact OD1-ND2 3.39Å; N877-L880 HydrophobicContact CB-CD1 4.16Å; N877-L880 PolarHBondContact O-N 3.41Å; N877-L880 VanDerWaalsContact O-N 3.1Å
878A43.4Very low40.9Very low57 Ų57109.1 Ų109.147%0.47161%0.607SS.*G310 helixtrans-53.2-18.7175.500000112.9F876 L880F876-A878 HydrophobicContact CD1-CB 4.13Å; F876-A878 HydrophobicContact CE1-CB 3.6Å; F876-A878 HydrophobicContact CZ-CB 4.4Å; A878-L880 PolarHBondContact O-N 3.45Å
879N42.3Very low39.7Very low144 Ų144113.7 Ų113.777%0.7763%0.628SS**G310 helixtrans-75.51178.2-62.9-33000114.9N877N877-N879 PolarHBondContact O-N 3.15Å; N877-N879 PolarHBondContact OD1-ND2 3.39Å
880L42Very low38.7Very low97 Ų97112.4 Ų112.451%0.50862%0.622SS.*G310 helixtrans-91.5-1.6175.1-75.3165.5000113.8R706 N877 A878R706-L880 PolarHBondContact NH2-O 2.68Å; N877-L880 HydrophobicContact CB-CD1 4.16Å; N877-L880 PolarHBondContact O-N 3.41Å; N877-L880 VanDerWaalsContact O-N 3.1Å; A878-L880 PolarHBondContact O-N 3.45Å
881I43.7Very low37.5Very low54 Ų54115.8 Ų115.828%0.27763%0.632SS.*SBendtrans-103.1110.4176.4-53.4172.3000107.1W728 F876 T883W728-I881 HydrophobicContact CZ2-CD1 4.44Å; F876-I881 HydrophobicContact CZ-CD1 4.41Å; I881-T883 PolarHBondContact O-N 3.41Å; I881-T883 VanDerWaalsContact O-N 3.1Å
882P37.8Very low36.5Very low76 Ų76115.6 Ų115.649%0.49464%0.635SS.*  trans-69.9108.716622-15.9000106.6T884P882-T884 VanDerWaalsContact C-N 3.28Å; P882-T884 PolarHBondContact O-N 3.1Å
883T35.1Very low35.6Very low119 Ų119116.4 Ų116.473%0.7365%0.645SS**  trans-60.596.6161.738.10000107.4I881 T885I881-T883 PolarHBondContact O-N 3.41Å; I881-T883 VanDerWaalsContact O-N 3.1Å; T883-T885 PolarHBondContact O-N 2.84Å
884T31.4Very low34.9Very low127 Ų127116.6 Ų116.678%0.77965%0.651SS**  trans-71.176.3163.238.10000108.1P882 I886P882-T884 VanDerWaalsContact C-N 3.28Å; P882-T884 PolarHBondContact O-N 3.1Å; T884-I886 PolarHBondContact O-N 2.72Å
885T29.8Very low33.9Very low113 Ų113118.4 Ų118.469%0.69366%0.66SS**  trans-70.8105152.343.20000106.5T883 S887T883-T885 PolarHBondContact O-N 2.84Å; T885-S887 VanDerWaalsContact C-N 3.29Å; T885-S887 PolarHBondContact O-N 2.84Å
886I26.8Very low33.3Very low163 Ų163122.4 Ų122.484%0.83667%0.669SS**  trans-63.196.9163.3-61169.8000105.9T884T884-I886 PolarHBondContact O-N 2.72Å
887S28.6Very low32.4Very low100 Ų100127.1 Ų127.170%0.69969%0.692SS**  trans-91.1115.5163.255.60000108.1T885 D889T885-S887 VanDerWaalsContact C-N 3.29Å; T885-S887 PolarHBondContact O-N 2.84Å; S887-D889 PolarHBondContact O-N 3.33Å; S887-D889 VanDerWaalsContact O-N 3.08Å
888H27.5Very low31.4Very low175 Ų175129.9 Ų129.981%0.8170%0.702SS**  trans-54106.9155-94.1-59000108.3
889D26.3Very low30.7Very low136 Ų136134.5 Ų134.573%0.72771%0.714SS**  165.7141.4125.2-82.6-21.8000111.3S887S887-D889 PolarHBondContact O-N 3.33Å; S887-D889 VanDerWaalsContact O-N 3.08Å
890D28.6Very low29.9Very low157 Ų157135.8 Ų135.884%0.8472%0.715SS**  trans76.288.5164.9-61.2-20.3000120.5
891Y25.1Very low29.2Very low208 Ų208140.7 Ų140.782%0.81674%0.735SS**  trans-59.3124.1145.3-177.7-91.3000111.7
892V26.8Very low28.3Very low114 Ų114143.9 Ų143.969%0.69176%0.758SS**  -168.2121129.3170.80000108.7
893P28.5Very low27.9Very low105 Ų105148.4 Ų148.468%0.68278%0.776SS**  trans-104.3124.8158.932.7-21.1000110.3
894T29.4Very low27.7Very low132 Ų132148 Ų14881%0.8178%0.778SS**  trans-110.3127167-24.60000109.5
895I26.6Very low27.6Very low151 Ų151147 Ų14777%0.77478%0.776SS**  trans-68.8135.3174.8-65.7161.9000109.4
896E28.7Very low27.8Very low192 Ų192147.1 Ų147.190%0.89778%0.779SS**  trans-146.9147.2147.5-108.6179.1-161.400111.2
897E27.4Very low27.9Very low158 Ų158145.8 Ų145.874%0.73878%0.778SS**  trans-84.5154.8-155.5-71174.713300115.6
898Q24.5Very low27.8Very low149 Ų149147 Ų14770%0.69678%0.781SS**  trans40.5120.9135.1-61.4-178.117.700120.1
899Q28.6Very low27.9Very low154 Ų154145.2 Ų145.272%0.7278%0.782SS**  166.112995.8-109.2154.850.300112.1
900Q25.3Very low27.9Very low172 Ų172142.7 Ų142.780%0.80478%0.78SS**  trans27.2120.1141.8-68173-13.400119.6
901E27.7Very low27.9Very low199 Ų199140.5 Ų140.593%0.9378%0.777SS**  -139127.5123.3-106.4-174.1-174.200111.1
902T24.5Very low28.1Very low121 Ų121136.5 Ų136.574%0.74277%0.774SS**  trans-74.8133179.1450000111.9
903I29.8Very low28.1Very low172 Ų172138.1 Ų138.188%0.88278%0.778SS**  trans-133.8119.3144-59.7179.3000109.1
904S29.2Very low28.1Very low109 Ų109140.7 Ų140.776%0.76279%0.785SS**  trans-64.1134.4176.851.50000113.9
905S30.8Very low27.8Very low108 Ų108142.6 Ų142.676%0.75578%0.784SS**  trans-75167.9145.741.50000109.3
906P33.3Very low27.9Very low115 Ų115140.9 Ų140.975%0.74779%0.786SS**  cis-146.9161.829.939.5-18.5000117.3
907V28.4Very low27.7Very low134 Ų134141.3 Ų141.381%0.81279%0.785SS**  trans-137.8103.6153.8-178.80000110.3
908V27.3Very low27.9Very low127 Ų127139.3 Ų139.377%0.7779%0.788SS**  trans26.5107.2136-169.60000117.2
909V29Very low27.9Very low137 Ų137139.6 Ų139.683%0.8379%0.794SS**  trans-101.7112.6156-179.30000108.1S911V909-S911 PolarHBondContact O-N 3.2Å
910A26.8Very low28Very low82 Ų82138.8 Ų138.868%0.67880%0.795SS**  trans-73.5118.7170.200000109.7T912A910-T912 PolarHBondContact O-N 2.85Å
911S29.1Very low28.2Very low112 Ų112141.7 Ų141.778%0.78380%0.799SS**  trans-74.9107.5168.527.20000109.7V909V909-S911 PolarHBondContact O-N 3.2Å
912T27.7Very low28Very low124 Ų124140.1 Ų140.176%0.76180%0.797SS**  trans-86.5106.6165.1-58.80000108.1A910 L914A910-T912 PolarHBondContact O-N 2.85Å; T912-L914 PolarHBondContact O-N 2.94Å
913I28Very low28.3Very low148 Ų148141.8 Ų141.876%0.75980%0.801SS**  trans-70.6107.6168.8-66.5169.6000107.5
914L27.7Very low28.1Very low158 Ų158139 Ų13983%0.82780%0.797SS**  trans-87.7108.3162.6-96.1159.7000108.4T912 S916T912-L914 PolarHBondContact O-N 2.94Å; L914-S916 PolarHBondContact O-N 3.49Å
915Q23.4Very low28Very low172 Ų172137 Ų13780%0.80479%0.794SS**  trans-63.9118161.5-71175.5-9.900109
916S29.7Very low27.8Very low115 Ų115140.2 Ų140.280%0.80480%0.803SS**  trans-116.9111.2153.954.70000108.9L914L914-S916 PolarHBondContact O-N 3.49Å
917K24Very low27.7Very low201 Ų201139.5 Ų139.587%0.87480%0.8SS**  trans-72.5127.6161.3-73173.2173.5175.30107.7
918S31Very low27.5Very low116 Ų116142.2 Ų142.281%0.81180%0.804SS**  trans-142.8108.4149.458.30000109.8
919N24.8Very low27.7Very low155 Ų155143.2 Ų143.283%0.82980%0.804SS**  trans-61.6133.9158.3-75.4-27.6000109.6
920N30.7Very low27.6Very low137 Ų137143 Ų14373%0.73380%0.799SS**  -173.7108.9129.9-95.6-15.8000106.7
921R29.2Very low27.5Very low233 Ų233144.3 Ų144.388%0.87980%0.803SS**  80.9110.987.5-85.2-174.6175.3176.3-0.9111.5
922N24.5Very low27.5Very low167 Ų167144.8 Ų144.889%0.89380%0.801SS**  trans-33.1130.3153.3-61.2-12.3000111.3
923D29.6Very low27.4Very low156 Ų156146.9 Ų146.983%0.83480%0.799SS**  trans-140.4126.2133.2-140-7.5000109.4
924S25.7Very low27.4Very low113 Ų113147.8 Ų147.879%0.7981%0.805SS**  trans-71.8133167.342.60000108.9
925G27.9Very low27.3Very low68 Ų68146.3 Ų146.370%0.70180%0.796SS**  trans-154.990.2171.900000109.3S927G925-S927 PolarHBondContact O-N 3.06Å
926D25.6Very low27.6Very low175 Ų175141.1 Ų141.194%0.93679%0.789SS**  trans-49.5126.7156.2-76.3-44.4000109
927S30.9Very low27.5Very low100 Ų100142.3 Ų142.370%0.69979%0.787SS**  trans-143.188.4156.5660000108.6G925G925-S927 PolarHBondContact O-N 3.06Å
928E25.3Very low27.8Very low191 Ų191141.7 Ų141.789%0.89379%0.787SS**  trans-44.4126.1136.7-69.7177.9142.300108.4
929L30.3Very low27.7Very low148 Ų148145 Ų14578%0.77579%0.79SS**  trans-163.696.3157.3-103.4154000108.8
930D28Very low27.9Very low132 Ų132147 Ų14771%0.70679%0.794SS**  trans53.194.4137.8-64.4-22.6000119.2V932D930-V932 PolarHBondContact O-N 2.89Å; D930-V932 VanDerWaalsContact O-N 3.17Å
931S25.4Very low27.9Very low110 Ų110147.7 Ų147.777%0.76980%0.798SS**  trans-38.3108.2137.652.90000112.4K933S931-K933 PolarHBondContact O-N 3.17Å
932V28.5Very low27.8Very low122 Ų122145.8 Ų145.874%0.73980%0.799SS**  trans-86.797.3159.2177.20000107.5D930 L934D930-V932 PolarHBondContact O-N 2.89Å; D930-V932 VanDerWaalsContact O-N 3.17Å; V932-L934 HydrophobicContact CG1-CG 4.24Å; V932-L934 PolarHBondContact O-N 3.04Å
933K25Very low28Very low168 Ų168147.1 Ų147.173%0.7380%0.8SS**  trans-62.8119.5154.7-79.4176.8170.2-176.90108S931 I935S931-K933 PolarHBondContact O-N 3.17Å; K933-I935 HydrophobicContact CD-CD1 4.31Å
934L28.5Very low27.9Very low167 Ų167148.9 Ų148.987%0.87480%0.803SS**  trans-109.9105.8149.8-79.6167.8000106.6V932V932-L934 HydrophobicContact CG1-CG 4.24Å; V932-L934 PolarHBondContact O-N 3.04Å
935I26.5Very low28.1Very low126 Ų126153 Ų15365%0.64681%0.809SS**  trans-86144.5167.4-70.6165.2000106.7K933K933-I935 HydrophobicContact CD-CD1 4.31Å
936G29.1Very low28.1Very low64 Ų64158.1 Ų158.166%0.6682%0.815SS**  trans153.468.7-177.600000104.8
937D26.2Very low28.2Very low140 Ų140157.8 Ų157.875%0.74981%0.808SS**  68.2138.284.6-69-12.6000111.1
938E30.3Very low28.2Very low187 Ų187160.6 Ų160.687%0.87482%0.815SS**  trans98.779.1-172.2-58.5173.2-165.100111.6
939E29.4Very low28.3Very low187 Ų187161.1 Ų161.187%0.87482%0.818SS**  54.589.180.2-71-174.7176.100112.5
940E30.4Very low28.5Very low196 Ų196163.3 Ų163.392%0.91682%0.824SS**  trans-97.7103.8159.5-77.1-179.3171.100107.2
941D30Very low28.5Very low152 Ų152165.2 Ų165.281%0.81383%0.829SS**  trans-85140.6162.3-82.4-35.2000109.3
942E26.2Very low28.8Very low193 Ų193166.9 Ų166.990%0.90283%0.828SS**  trans-66.1125176.4-58.7167.8157.700110.9
943E30.1Very low28.9Very low195 Ų195167.7 Ų167.791%0.91183%0.828SS**  trans-140.8133.6153.8-73.9-165.6167.100111.3
944E26.8Very low29.3Very low193 Ų193167.6 Ų167.690%0.90283%0.83SS**  trans-72.6139.6-179.9-60.9168.9149.100110.5
945E30.1Very low29.5Very low199 Ų199166.2 Ų166.293%0.9382%0.824SS**  trans-115.5103.5164.1-77.1-170.7169.800109.3
946E27.1Very low30.1Very low175 Ų175168.4 Ų168.482%0.81884%0.835SS**  trans-90.7136.7154.6-81.1-17216300109.3
947E28Very low30.3Very low168 Ų168171.7 Ų171.779%0.78584%0.838SS**  trans51.1130.1144.4-58.2-173.3169.700121.2
948D30.4Very low30.8Very low159 Ų159171.6 Ų171.685%0.8584%0.837SS**  -173.9105.3127.6-88.6-26.5000110.3
949E28.9Very low31.1Very low203 Ų203169.4 Ų169.495%0.94983%0.831SS**  trans-93.1117.2158.6-75.8-171.616300108.2
950E32.8Very low31.4Very low193 Ų193167 Ų16790%0.90283%0.825SS**  trans-93.9137.1170.7-81.2-170.3158.800112.1
951E28.2Very low31.7Very low173 Ų173164.2 Ų164.281%0.80882%0.816SS**  trans-73.3-176.9-179.4-67.6-175.5139.200115.9
952L32.4Very low32Very low144 Ų144163 Ų16375%0.75481%0.81SS**  trans108132.6153.3-52.4170.9000114.4
953D30.2Very low32.4Very low139 Ų139159.3 Ų159.374%0.74380%0.796SS**  cis-175.9172.1-7.8-111.3-16.2000107.1
954E34.5Very low32.6Very low167 Ų167156.3 Ų156.378%0.7879%0.786SS**  trans116.999.3152.5-60.8-171.3-177.100118.4
955D32.4Very low32.9Very low137 Ų137155.6 Ų155.673%0.73378%0.783SS**  65.5123.5122.6-54.9-16.3000122.4
956I37.8Very low33Very low172 Ų172154.5 Ų154.588%0.88278%0.778SS**  -161.2133.8127.1-91.8150.1000109.7
957D35.2Very low33.3Very low134 Ų134154.3 Ų154.372%0.71778%0.777SS**  trans-77.6162.8-173.1-62.6-54.8000117.2
958D35.3Very low33.5Very low137 Ų137153.3 Ų153.373%0.73378%0.777SS**  trans67.4117140.1-65.1-20.5000122.8
959D36.4Very low33.4Very low142 Ų142153.1 Ų153.176%0.75978%0.776SS**  173.5123.3103-89.3-24.8000113.3
960D37.2Very low33.6Very low137 Ų137150.3 Ų150.373%0.73377%0.767SS**  trans63.3131.2137.2-66.7-19.7000126.6
961D36.1Very low33.4Very low136 Ų136147.7 Ų147.773%0.72776%0.76SS**  trans95.4103.7135.6-77-11.9000122.8
962D35.8Very low33.7Very low128 Ų128146.6 Ų146.668%0.68476%0.759SS**  100.6114.2117-95.5-6.2000122.8
963N35Very low33.4Very low114 Ų114148.1 Ų148.161%0.6176%0.762SS**  trans91.8116.5132.5-71.9-46.3000122.8
964N33.5Very low33.5Very low132 Ų132150 Ų15071%0.70677%0.771SS**  trans68.7136.1135.9-64.7-9000118.2
965E34.3Very low33.1Very low178 Ų178148.9 Ų148.983%0.83277%0.771SS**  cis-163.3157.329.4-127.8160.9-143.200110.2
966E30.6Very low32.9Very low177 Ų177149.9 Ų149.983%0.82778%0.775SS**  trans-70.7149.6-175.6-60.5168.5141.400114.2
967E33.8Very low32.7Very low171 Ų171148 Ų14880%0.79977%0.767SS**  172.7113.1107.1-90.8-168.3167.800113.4
968N33.4Very low32.3Very low147 Ų147150.4 Ų150.479%0.78677%0.771SS**  trans59.5108135.5-66.5-28.3000122.8
969N27.9Very low32.2Very low154 Ų154153.5 Ų153.582%0.82478%0.781SS**  trans-109.3146.5143.2-100.3-16.8000109.8
970N33.8Very low31.8Very low144 Ų144153.7 Ų153.777%0.7778%0.777SS**  trans156.5109.4138.3-78.5-15.9000109.4
971N28.5Very low31.6Very low139 Ų139154.2 Ų154.274%0.74379%0.785SS**  62.7112.188.5-856.4000113.7
972D32.6Very low31.2Very low149 Ų149154 Ų15480%0.79778%0.779SS**  178.9149.897.3-94.7-24000113.7
973Q27.7Very low30.9Very low177 Ų177153.2 Ų153.283%0.82778%0.784SS**  trans-55.8154.8174.5-89.3157-43.400115
974L31.5Very low30.8Very low177 Ų177158.2 Ų158.293%0.92780%0.795SS**  -172.5133.6127.7-97.7156.9000112
975D26.7Very low30.6Very low145 Ų145161.8 Ų161.878%0.77580%0.8SS**  trans-64.8150171.9-69.2-54.9000113.7
976L28.5Very low30.5Very low158 Ų158160.8 Ų160.883%0.82780%0.8SS**  156.3151.7116.1-83168.2000113.7
977D32.1Very low30.4Very low131 Ų131159 Ų15970%0.70180%0.796SS**  trans89.897.2163.7-57.2-27.4000117.3
978K27.8Very low30.4Very low186 Ų186159.1 Ų159.181%0.80980%0.802SS**  64.3107.184-79.2-174.3176.6176.10114.1
979E32.4Very low30.2Very low201 Ų201158.8 Ų158.894%0.93980%0.8SS**  trans-151.2129.1135-114.3174.3-160.600111.8
980H27.7Very low30.3Very low146 Ų146158 Ų15868%0.67680%0.797SS**  trans-71.7144.3178.5-89.1-93.6000112.2
981V32.8Very low30.2Very low148 Ų148159.1 Ų159.190%0.89780%0.802SS**  trans-137.6117.6131.8179.50000108.7
982E28.1Very low30.3Very low131 Ų131159 Ų15961%0.61280%0.802SS**  trans-84.8145.6171.4-70.1175.7161.200111.7
983S29.8Very low30.1Very low112 Ų112158.8 Ų158.878%0.78380%0.8SS**  trans-161.98914161.60000106.8
984W33Very low30.5Very low220 Ų220157.9 Ų157.983%0.83380%0.801SS**  73.8117.696.5-71.945.4000113.8
985Y28.8Very low30.6Very low207 Ų207156.1 Ų156.181%0.81279%0.793SS**  trans-65.1153.7169.4-74.5-99.7000111.6
986D32.5Very low30.7Very low157 Ų157157.5 Ų157.584%0.8480%0.8SS**  -172.4139.1110.9-85.8-23000111.1
987D28.4Very low31.1Very low140 Ų140154.6 Ų154.675%0.74979%0.793SS**  trans-61.8152.7168.8-62.7-60.6000111.8
988D33.4Very low31.2Very low172 Ų172155.2 Ų155.292%0.9280%0.796SS**  trans-159.5130140.2-92.6-31.5000110.3
989D30.2Very low31.5Very low140 Ų140154.3 Ų154.375%0.74980%0.801SS**  trans-65.6168171.1-69.4-60.7000113
990D29.2Very low31.6Very low139 Ų139151.1 Ų151.174%0.74379%0.79SS**  trans60.3117.6151.1-61.6-28.7000120.7
991D32.8Very low31.9Very low166 Ų166153.8 Ų153.889%0.88880%0.8SS**  trans-169.593.9144.1-86-31000104.8
992D30.3Very low32.1Very low138 Ų138152.6 Ų152.674%0.73879%0.793SS**  40.2129.174.4-85.1-13.6000115.6
993D29.2Very low32.2Very low143 Ų143153.9 Ų153.977%0.76580%0.804SS**  trans72.9112.9155.9-59.5-30.8000120.7
994D34.8Very low32.4Very low158 Ų158153 Ų15385%0.84580%0.803SS**  trans-134107136-93.8-30.5000110
995D34.4Very low32.3Very low140 Ų140151.9 Ų151.975%0.74980%0.804SS**  trans7684.5140.7-69.5-22000121.5
996D27.8Very low32.7Very low174 Ų174148 Ų14893%0.9381%0.805SS**  trans-82.9116.3134-95.1-31.1000109.7
997S37.4Very low32.6Very low98 Ų98151.9 Ų151.969%0.68581%0.808SS**  trans-146.8112.5147.859.80000113.1
998D33.5Very low33Very low143 Ų143151.3 Ų151.377%0.76582%0.815SS**  trans54.4104.9143.7-65.7-20000120.5
999D35.8Very low32.9Very low168 Ų168146.3 Ų146.390%0.89880%0.804SS**  -140122.7122.4-109.9-24.9000112.8
1000N33.5Very low33.1Very low134 Ų134147.2 Ų147.272%0.71781%0.808SS**  trans-54.9134-178.6-73.3-75.6000114.5
1001F34.5Very low33.4Very low202 Ų202146.9 Ų146.989%0.88681%0.806SS**  trans-15893.7135.4-124.1-86.7000113.6
1002V37.1Very low33.5Very low122 Ų122145.4 Ų145.474%0.73980%0.798SS**  trans42.5112.3136.4-167.90000120.1
1003D29.3Very low33.7Very low158 Ų158147.8 Ų147.885%0.84581%0.805SS**  trans-34.6130.4155.3-93.2-44.9000116.4
1004A35Very low34Very low94 Ų94145.6 Ų145.678%0.77781%0.806SS**  trans-158.598.5144.800000112.1
1005K30.3Very low33.9Very low196 Ų196147.9 Ų147.985%0.85281%0.809SS**  trans-61.7151.1153.4-82.6174.7176.3163.90109.9
1006P38Very low34Very low126 Ų126147 Ų14782%0.81881%0.809SS**  -134.1142.1125.730.9-16.5000114.1
1007R29Very low34.3Very low239 Ų239145 Ų14590%0.90280%0.803SS**  trans-70.9141.2162.4-77.6173.6163.5172.3-3.8110.9
1008S37.3Very low34.4Very low128 Ų128148.1 Ų148.190%0.89581%0.811SS**  trans146.7136.9145.5620000106.8
1009G30.9Very low34.6Very low67 Ų67149.7 Ų149.769%0.69182%0.818SS**  cis165.2158.95.500000106.2
1010L35.5Very low34.7Very low159 Ų159145.4 Ų145.483%0.83281%0.814SS**  trans96.5101.2164-60.7154000119.2
1011N34.4Very low35Very low132 Ų132149.7 Ų149.771%0.70683%0.826SS**  74.7111.6116.5-74.110.2000122.7
1012N36.5Very low35.3Very low135 Ų135143.7 Ų143.772%0.72282%0.821SS**  134.7104.6121.7-78.1-5.1000110.7
1013E32.9Very low35.3Very low188 Ų188151.6 Ų151.688%0.87985%0.846SS**  53.4112.494.7-69.5-170.9169.800111.5
1014A36.4Very low35.6Very low97 Ų97151.3 Ų151.380%0.80285%0.846SS**  -158.6138.260.800000113.2
1015K31.5Very low35.6Very low205 Ų205154.3 Ų154.389%0.89185%0.849SS**  trans-90.1134.3156.3-80.6178.4173.1179.20107.9
1016T36.9Very low35.9Very low123 Ų123151.9 Ų151.976%0.75585%0.849SS**  trans-140.7104.4153.4-33.30000110L1018T1016-L1018 HydrophobicContact CG2-CD1 4.27Å
1017T34.7Very low35.7Very low132 Ų132153.5 Ų153.581%0.8185%0.851SS**  trans-80.6136.3154.621.80000108.1
1018L40.1Very low36.2Very low162 Ų162148.1 Ų148.185%0.84885%0.848SS**  trans-149.6106.2161.5-104.3161.6000110.6T1016T1016-L1018 HydrophobicContact CG2-CD1 4.27Å
1019L36.1Very low36.1Very low176 Ų176149.5 Ų149.592%0.92185%0.845SS**  trans-86.6139.4153.4-91154.2000107.8
1020G38.9Very low36.5Very low78 Ų78155.4 Ų155.480%0.80486%0.856SS**  trans173.3100167.500000114.1
1021K39.7Very low36.5Very low224 Ų224155.1 Ų155.197%0.97486%0.857SS**  trans-75.1146.2162.6-82-178.8172.1178.90110.4
1022G41Very low36.7Very low76 Ų76157 Ų15778%0.78487%0.87SS**  trans122.482.1145.600000117.6
1023K35.9Very low36.7Very low288 Ų288159 Ų159100%1.25288%0.884SS**  -179.90119.1-103.6-173.6-179.7-1780110.7

Retrieved 1,023 of 1,023 residues in 636.5 ms (Link to these results)

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