A0A087X2R6_POEFO Loading...

Phospholipase A2-activating protein

AlphaFold DB , UniProt , Accession A0A087X2R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 798 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
1M28.5Very low72.1Confident243 Ų24366.8 Ų66.8100%1.19741%0.405SS*.  0140.40-71.3-176.9-105.900106.5
2A27.8Very low74.1Confident97 Ų9765.9 Ų65.980%0.80240%0.403SS*.  trans14.2115.2-176.100000117.5S4A2-S4 PolarHBondContact O-N 3.05Å
3S37.9Very low75.9Confident114 Ų11461.6 Ų61.680%0.79738%0.376SS*.  trans-62.39916249.60000108.6N5S3-N5 PolarHBondContact O-N 3.1Å
4S54.1Low77.2Confident98 Ų9865.1 Ų65.169%0.68540%0.401SS*.  trans-69.6114.4167.652.20000107.4A2 S6A2-S4 PolarHBondContact O-N 3.05Å; S4-S6 PolarHBondContact O-N 3.03Å
5N74.3Confident77.8Confident76 Ų7661.1 Ų61.141%0.40638%0.377SS..PPolyproline II helixtrans-52.3130.6170.9-70.521.8000108S3 E299S3-N5 PolarHBondContact O-N 3.1Å; N5-E299 HydrophobicContact CB-CB 3.91Å; N5-E299 HydrophobicContact CB-CG 4.29Å; N5-E299 PolarHBondContact ND2-O 2.85Å
6S90.1Very high79Confident21 Ų2158.2 Ų58.215%0.14736%0.358CS..PPolyproline II helixtrans-98.7145.4177.658.30000108.9S4 K8S4-S6 PolarHBondContact O-N 3.03Å; S6-K8 PolarHBondContact O-N 3.07Å; S6-K8 WeakPolarHBondContact OG-CE 3.44Å
7F95.8Very high80.1Confident3 Ų365.1 Ų65.11%0.01339%0.385CS..PPolyproline II helixtrans-65.9121.9172.9-79-86.7000109.4F240 I257 Q265 I267 G283 I285 F297 T298 E299F7-F240 HydrophobicContact CE2-CE1 4.46Å; F7-F240 AromaticContact CE2-CZ 3.89Å; F7-F240 HydrophobicContact CE2-CZ 3.89Å; F7-F240 AromaticContact CZ-CE1 3.73Å; F7-F240 HydrophobicContact CZ-CE1 3.73Å; F7-F240 AromaticContact CZ-CZ 3.57Å; F7-F240 HydrophobicContact CZ-CZ 3.57Å; F7-I257 HydrophobicContact CD2-CD1 4.45Å; F7-I257 HydrophobicContact CD2-CG1 3.92Å; F7-I257 HydrophobicContact CD2-CG2 4.28Å; F7-I257 HydrophobicContact CE2-CG1 4.35Å; F7-I257 HydrophobicContact CE2-CG2 4.12Å; F7-Q265 PolarHBondContact O-NE2 3.12Å; F7-I267 HydrophobicContact CB-CD1 3.95Å; F7-I267 WeakPolarHBondContact O-CD1 3.27Å; F7-G283 WeakPolarHBondContact CE1-O 3.42Å; F7-I285 HydrophobicContact CD1-CD1 3.52Å; F7-I285 HydrophobicContact CD1-CG1 4.02Å; F7-I285 HydrophobicContact CD2-CD1 4.01Å; F7-I285 HydrophobicContact CE1-CD1 3.51Å; F7-I285 HydrophobicContact CE1-CG1 3.67Å; F7-I285 HydrophobicContact CE2-CD1 3.98Å; F7-I285 HydrophobicContact CG-CD1 3.79Å; F7-I285 HydrophobicContact CZ-CD1 3.75Å; F7-I285 HydrophobicContact CZ-CG1 4.11Å; F7-F297 HydrophobicContact CB-CB 4.23Å; F7-F297 HydrophobicContact CD1-CB 4.19Å; F7-T298 WeakPolarHBondContact CA-O 3.32Å; F7-E299 HydrophobicContact CD1-CG 3.87Å; F7-E299 HydrophobicContact CD2-CG 3.62Å; F7-E299 WeakPolarHBondContact CD2-OE1 3.32Å; F7-E299 HydrophobicContact CE1-CG 3.8Å; F7-E299 HydrophobicContact CE2-CG 3.57Å; F7-E299 WeakPolarHBondContact CE2-OE1 3.3Å; F7-E299 HydrophobicContact CG-CG 3.78Å; F7-E299 HydrophobicContact CZ-CG 3.65Å
8K95.4Very high81Confident44 Ų4465.6 Ų65.619%0.19138%0.384CS..EExtended strand (participates in β ladder)trans-118.1161.4172.7-62.8-60.5-170.1-175.10109.7S6 R10 F297 T298 M304 L310 D371S6-K8 PolarHBondContact O-N 3.07Å; S6-K8 WeakPolarHBondContact OG-CE 3.44Å; K8-R10 PolarHBondContact O-N 2.73Å; K8-F297 CarbonylContact O-C 3.59Å; K8-F297 WeakPolarHBondContact O-CA 3.1Å; K8-T298 PolarHBondContact N-O 3.38Å; K8-T298 PolarHBondContact O-N 3.39Å; K8-M304 HydrophobicContact CB-CE 4.25Å; K8-M304 HydrophobicContact CB-CG 4.24Å; K8-M304 HydrophobicContact CB-SD 3.97Å; K8-M304 HydrophobicContact CG-CE 4.12Å; K8-M304 HydrophobicContact CG-SD 4.04Å; K8-L310 HydrophobicContact CB-CD2 4.43Å; K8-D371 IonicContact NZ-OD1 2.72Å; K8-D371 PolarHBondContact NZ-OD1 2.74Å; K8-D371 IonicContact NZ-OD2 3.55Å; K8-D371 PolarHBondContact NZ-OD2 3.46Å
9L96.6Very high81.8Confident7 Ų763.3 Ų63.34%0.03737%0.37CS..EExtended strand (participates in β ladder)trans-59.5133.1178.1-17369.9000109.6R295 F297 A305 L310 F313L9-R295 HydrophobicContact CD1-CB 4.11Å; L9-R295 HydrophobicContact CD1-CG 4.48Å; L9-F297 HydrophobicContact CB-CD1 4.47Å; L9-F297 HydrophobicContact CB-CE1 4.3Å; L9-F297 HydrophobicContact CD1-CD1 4.49Å; L9-F297 HydrophobicContact CD1-CE1 3.98Å; L9-F297 HydrophobicContact CD1-CZ 4.05Å; L9-A305 HydrophobicContact CB-CB 4.48Å; L9-A305 HydrophobicContact CG-CB 4.39Å; L9-A305 VanDerWaalsContact O-CB 3.28Å; L9-A305 WeakPolarHBondContact O-CB 3.48Å; L9-A305 PolarHBondContact O-N 3.42Å; L9-L310 HydrophobicContact CB-CD2 3.87Å; L9-F313 HydrophobicContact CD2-CB 3.85Å; L9-F313 HydrophobicContact CD2-CD2 4.47Å; L9-F313 HydrophobicContact CD2-CG 4.1Å
10R96.4Very high82.7Confident14 Ų1460.2 Ų60.25%0.05335%0.351CS..EExtended strand (participates in β ladder)trans-97.6-48.3170163.3168179-161.4-7.9110.6K8 T53 N282 D284 I296 T298 R303 A305K8-R10 PolarHBondContact O-N 2.73Å; R10-T53 PolarHBondContact NE-O 2.95Å; R10-T53 PolarHBondContact NH2-O 3.02Å; R10-N282 PolarHBondContact NH1-ND2 2.85Å; R10-D284 WeakPolarHBondContact CD-OD2 3.25Å; R10-D284 IonicContact CZ-OD2 2.84Å; R10-D284 IonicContact NE-OD2 2.63Å; R10-D284 IonicContact NH1-OD2 2.8Å; R10-D284 PolarHBondContact NH1-OD2 3.17Å; R10-I296 HydrophobicContact CB-CB 4.25Å; R10-I296 HydrophobicContact CB-CG2 4.19Å; R10-I296 WeakPolarHBondContact CB-O 3.49Å; R10-I296 HydrophobicContact CG-CB 4.44Å; R10-I296 HydrophobicContact CG-CG2 4.27Å; R10-I296 PolarHBondContact N-O 2.87Å; R10-T298 HydrophobicContact CB-CG2 3.95Å; R10-R303 WeakPolarHBondContact CB-O 3.24Å; R10-R303 VanDerWaalsContact CG-O 3.26Å; R10-R303 WeakPolarHBondContact CG-O 3.26Å; R10-A305 WeakPolarHBondContact O-CB 3.18Å
11C96.3Very high83.4Confident18 Ų1859.4 Ų59.412%0.12234%0.343CS..EExtended strand (participates in β ladder)trans-164.3162.1174.661.10000112I296C11-I296 PolarHBondContact N-O 2.83Å; C11-I296 PolarHBondContact O-N 2.89Å; C11-I296 VanDerWaalsContact SG-CG1 3.59Å
12S96.4Very high86.7Confident56 Ų5648.2 Ų48.239%0.39229%0.289SS..EExtended strand (participates in β ladder)trans-114.6131.6169.3-660000109.4
13I97.1Very high90Very high10 Ų1044.4 Ų44.45%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-118.6101.9-175-53.6162000107.7G15 F33 W45 F55 I294 I296I13-G15 PolarHBondContact O-N 3.03Å; I13-F33 HydrophobicContact CD1-CE1 4.36Å; I13-F33 HydrophobicContact CD1-CZ 3.89Å; I13-W45 HydrophobicContact CG2-CD2 4.15Å; I13-W45 HydrophobicContact CG2-CE3 3.7Å; I13-W45 HydrophobicContact CG2-CH2 3.71Å; I13-W45 HydrophobicContact CG2-CZ2 4.13Å; I13-W45 HydrophobicContact CG2-CZ3 3.46Å; I13-W45 VanDerWaalsContact CG2-CZ3 3.46Å; I13-F55 HydrophobicContact CD1-CB 3.79Å; I13-F55 HydrophobicContact CD1-CD2 4.06Å; I13-F55 HydrophobicContact CD1-CG 4.09Å; I13-F55 HydrophobicContact CG1-CB 4.48Å; I13-I294 HydrophobicContact CB-CB 4.21Å; I13-I294 PolarHBondContact N-O 2.97Å; I13-I294 PolarHBondContact O-N 3.35Å; I13-I296 HydrophobicContact CD1-CD1 4.15Å; I13-I296 HydrophobicContact CD1-CG1 3.93Å
14P94.3Very high92.9Very high111 Ų11139.8 Ų39.872%0.72122%0.224SC*.  trans-7768.5175.732.9-34.8000109.9
15G86.3Confident94.9Very high4 Ų437.8 Ų37.84%0.04121%0.208CC..  trans-89.2-17.7-168.600000115.5I13 R43 W45I13-G15 PolarHBondContact O-N 3.03Å; G15-R43 VanDerWaalsContact O-CD 3.29Å; G15-R43 WeakPolarHBondContact O-CD 3.38Å; G15-R43 PolarHBondContact O-NE 2.85Å; G15-R43 VanDerWaalsContact O-NE 3.1Å; G15-R43 PolarHBondContact O-NH1 3.3Å; G15-R43 PolarHBondContact O-NH2 3.3Å; G15-W45 VanDerWaalsContact CA-CH2 3.48Å
16H97.5Very high95.8Very high15 Ų1534.4 Ų34.47%0.06919%0.191CC..  trans-136151.4-173.5-73-72.9000112.1M18 V20 S35 S37 D39 T41 G292H16-M18 VanDerWaalsContact C-N 3.35Å; H16-V20 HydrophobicContact CB-CG2 4.36Å; H16-S35 PolarHBondContact NE2-OG 3.01Å; H16-S37 WeakPolarHBondContact ND1-CB 3.4Å; H16-D39 WeakPolarHBondContact CA-OD2 3.12Å; H16-D39 WeakPolarHBondContact CB-OD2 3.12Å; H16-D39 IonicContact CE1-OD2 3.75Å; H16-D39 IonicContact CG-OD2 2.79Å; H16-D39 IonicContact ND1-OD1 2.94Å; H16-D39 PolarHBondContact ND1-OD1 2.76Å; H16-D39 IonicContact ND1-OD2 2.7Å; H16-D39 PolarHBondContact ND1-OD2 2.62Å; H16-T41 PolarHBondContact CE1-OG1 2.83Å; H16-T41 VanDerWaalsContact CE1-OG1 3.28Å; H16-T41 PolarHBondContact ND1-OG1 2.81Å; H16-G292 PolarHBondContact N-O 2.77Å
17E96.3Very high95.7Very high175 Ų17537.9 Ų37.982%0.81821%0.207SC*.SBendtrans-83.5-12.9179.4-63.3-177.8175.100113.1D39E17-D39 HydrophobicContact CB-CB 4.25Å; E17-D39 PolarHBondContact N-OD2 2.86Å
18M97.1Very high95.5Very high74 Ų7442.1 Ų42.137%0.36523%0.225SC..SBendtrans-144.4173.7-177.7-57.7-174.671.900110.7H16 V20 S37 R38 D39 F67 G292H16-M18 VanDerWaalsContact C-N 3.35Å; M18-V20 PolarHBondContact O-N 3.14Å; M18-S37 VanDerWaalsContact C-OG 3.31Å; M18-S37 PolarHBondContact O-OG 2.71Å; M18-R38 HydrophobicContact CB-CB 3.88Å; M18-R38 HydrophobicContact CE-CB 4.01Å; M18-R38 HydrophobicContact SD-CB 4.07Å; M18-D39 HydrophobicContact CB-CB 4.42Å; M18-D39 HydrophobicContact CG-CB 4.38Å; M18-F67 HydrophobicContact CE-CE1 4.47Å; M18-F67 HydrophobicContact CE-CZ 4.46Å; M18-G292 WeakPolarHBondContact O-CA 3.32Å
19D96.9Very high95.2Very high23 Ų2341.5 Ų41.512%0.12323%0.225CC..  trans-34.6124.7-178.8-52.258000114.2R21 S37 R38 W275D19-R21 HydrophobicContact CB-CG 4.13Å; D19-R21 PolarHBondContact O-N 2.7Å; D19-S37 VanDerWaalsContact O-CA 3.25Å; D19-S37 WeakPolarHBondContact O-CA 3.29Å; D19-S37 WeakPolarHBondContact O-CB 3.43Å; D19-S37 PolarHBondContact O-OG 3.26Å; D19-R38 HydrophobicContact CB-CG 4.1Å; D19-R38 PolarHBondContact O-N 2.78Å; D19-R38 WeakPolarHBondContact OD1-CD 3.28Å; D19-R38 IonicContact OD1-CZ 3.8Å; D19-R38 IonicContact OD1-NE 2.9Å; D19-R38 PolarHBondContact OD1-NE 2.91Å; D19-R38 IonicContact OD2-CZ 3.49Å; D19-R38 VanDerWaalsContact OD2-CZ 3.26Å; D19-R38 IonicContact OD2-NE 2.99Å; D19-R38 PolarHBondContact OD2-NE 2.76Å; D19-R38 IonicContact OD2-NH2 3.34Å; D19-R38 PolarHBondContact OD2-NH2 2.99Å; D19-W275 PolarHBondContact OD2-NE1 2.97Å
20V98.4Very high94.9Very high0 Ų050 Ų500%027%0.265CS..EExtended strand (participates in β ladder)trans-77.3112.8167.8-172.60000107.9H16 M18 L23 W275 A289 I294H16-V20 HydrophobicContact CB-CG2 4.36Å; M18-V20 PolarHBondContact O-N 3.14Å; V20-L23 HydrophobicContact CG1-CG 4.49Å; V20-W275 VanDerWaalsContact O-CB 3.32Å; V20-W275 WeakPolarHBondContact O-CB 3.28Å; V20-A289 PolarHBondContact N-O 3.16Å; V20-I294 HydrophobicContact CG1-CG1 4.09Å; V20-I294 HydrophobicContact CG2-CG1 3.86Å
21R97.4Very high94.7Very high45 Ų4550.1 Ų50.117%0.1727%0.27CS..EExtended strand (participates in β ladder)trans-101.6-23.5-168.3-72.6-58.7-49-64.3-9.2114.8D19 V36 R38D19-R21 HydrophobicContact CB-CG 4.13Å; D19-R21 PolarHBondContact O-N 2.7Å; R21-V36 PolarHBondContact N-O 3.05Å; R21-R38 HydrophobicContact CG-CG 3.87Å
22G97.8Very high94.7Very high7 Ų749.2 Ų49.27%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-149.2149.2177.900000112.1S35 V36G22-S35 CarbonylContact O-C 3.49Å; G22-S35 WeakPolarHBondContact O-CA 3.48Å; G22-V36 PolarHBondContact N-O 3.28Å; G22-V36 PolarHBondContact O-N 3.15Å
23L98.4Very high94.7Very high18 Ų1846.6 Ų46.69%0.09425%0.246CC..EExtended strand (participates in β ladder)trans-137142175.6-75.4169.1000109.2V20 F33 V34 C278 A286 I294V20-L23 HydrophobicContact CG1-CG 4.49Å; L23-F33 HydrophobicContact CD2-CD2 3.77Å; L23-F33 HydrophobicContact CD2-CE2 3.74Å; L23-V34 VanDerWaalsContact CA-O 3.3Å; L23-V34 WeakPolarHBondContact CA-O 3.11Å; L23-C278 HydrophobicContact CB-CB 4.39Å; L23-A286 HydrophobicContact CD1-CB 4.19Å; L23-I294 HydrophobicContact CD2-CG2 4.25Å
24A97.6Very high94.8Very high16 Ų1646.1 Ų46.113%0.13224%0.243CC..EExtended strand (participates in β ladder)trans-146.2149.517000000110.8F33 V34 V71 V73A24-F33 CarbonylContact O-C 3.14Å; A24-F33 WeakPolarHBondContact O-CA 3.32Å; A24-F33 WeakPolarHBondContact O-CB 3.27Å; A24-V34 HydrophobicContact CB-CG1 3.79Å; A24-V34 PolarHBondContact N-O 3.01Å; A24-V34 WeakPolarHBondContact O-CG1 3.48Å; A24-V34 PolarHBondContact O-N 3.37Å; A24-V71 HydrophobicContact CB-CG1 4.21Å; A24-V73 HydrophobicContact CB-CG2 4.29Å
25T95.9Very high95Very high56 Ų5640.8 Ų40.834%0.34421%0.209SC..EExtended strand (participates in β ladder)trans-70.4136172.843.80000110.7V73 V279 L280T25-V73 WeakPolarHBondContact O-CG2 3.1Å; T25-V279 WeakPolarHBondContact CG2-O 3.45Å; T25-L280 HydrophobicContact CG2-CD2 4.05Å
26A93.6Very high95.6Very high6 Ų640.6 Ų40.65%0.0521%0.207CC..  trans-90.7145.8172.900000110.1A32 F85A26-A32 HydrophobicContact CB-CB 3.92Å; A26-A32 WeakPolarHBondContact CB-O 3.39Å; A26-A32 PolarHBondContact N-O 2.74Å; A26-F85 HydrophobicContact CB-CE1 4Å; A26-F85 HydrophobicContact CB-CZ 4.12Å
27I89.3Confident95.7Very high94 Ų9439.9 Ų39.948%0.48220%0.204SC..SBendtrans-84.6-27.6176.5-64.4165.7000110.4V73 A75 P76I27-V73 HydrophobicContact CD1-CG1 4.16Å; I27-V73 HydrophobicContact CG1-CG1 4.33Å; I27-A75 HydrophobicContact CD1-CB 4.28Å; I27-P76 HydrophobicContact CG2-CG 3.86Å
28F89.7Confident95.7Very high92 Ų9234.7 Ų34.740%0.40418%0.177SC..SBendtrans-141.1139.2175.8-176.4-83.7000111.1R82 L99F28-R82 HydrophobicContact CB-CB 4.2Å; F28-R82 HydrophobicContact CB-CG 4.26Å; F28-R82 HydrophobicContact CD1-CB 4.15Å; F28-R82 VanDerWaalsContact CD1-CD 3.45Å; F28-R82 HydrophobicContact CD1-CG 3.66Å; F28-R82 HydrophobicContact CD2-CG 4.21Å; F28-R82 VanDerWaalsContact CE1-CD 3.42Å; F28-R82 HydrophobicContact CE1-CG 4.04Å; F28-R82 HydrophobicContact CG-CB 4.21Å; F28-R82 HydrophobicContact CG-CG 3.76Å; F28-R82 HydrophobicContact CZ-CG 4.47Å; F28-L99 HydrophobicContact CD1-CD1 3.66Å; F28-L99 HydrophobicContact CE1-CD1 4.31Å
29P90Very high95.7Very high30 Ų3032 Ų3220%0.19516%0.164CC..SBendcis-70.1172.7-11.431.1-34.3000111.5G31 A32 V46 M58P29-G31 PolarHBondContact O-N 3.15Å; P29-A32 HydrophobicContact CG-CB 3.98Å; P29-A32 WeakPolarHBondContact O-CB 3.3Å; P29-A32 PolarHBondContact O-N 2.85Å; P29-V46 HydrophobicContact CG-CB 4.3Å; P29-V46 HydrophobicContact CG-CG1 3.42Å; P29-V46 VanDerWaalsContact CG-CG1 3.42Å; P29-M58 VanDerWaalsContact CD-CE 3.43Å; P29-M58 HydrophobicContact CG-CE 4.17Å; P29-M58 HydrophobicContact CG-SD 3.91Å
30E90.9Very high95.8Very high186 Ų18637.5 Ų37.587%0.86918%0.183SC*.THydrogen-bonded Turntrans-60.5136.8-176.6-170.617717200112A32E30-A32 PolarHBondContact O-N 3.25Å
31G91.6Very high95.8Very high16 Ų1638.6 Ų38.617%0.16519%0.19CC..THydrogen-bonded Turntrans72.51.1-17900000115.5P29 P47P29-G31 PolarHBondContact O-N 3.15Å; G31-P47 WeakPolarHBondContact O-CG 2.87Å
32A95.9Very high95.8Very high0 Ų036.6 Ų36.60%018%0.183CC..  trans-75.1160.9177.800000113.1A26 P29 E30 W45 V46A26-A32 HydrophobicContact CB-CB 3.92Å; A26-A32 WeakPolarHBondContact CB-O 3.39Å; A26-A32 PolarHBondContact N-O 2.74Å; P29-A32 HydrophobicContact CG-CB 3.98Å; P29-A32 WeakPolarHBondContact O-CB 3.3Å; P29-A32 PolarHBondContact O-N 2.85Å; E30-A32 PolarHBondContact O-N 3.25Å; A32-W45 CarbonylContact C-O 3.52Å; A32-W45 WeakPolarHBondContact CA-O 3.46Å; A32-W45 WeakPolarHBondContact CB-O 3.4Å; A32-V46 HydrophobicContact CB-CG1 4.05Å
33F97.8Very high95.8Very high0 Ų038.6 Ų38.60%019%0.188CC..EExtended strand (participates in β ladder)trans-143.9163.8172.271.8-92.1000111I13 L23 A24 V44 W45 F55 L280 I294 I296I13-F33 HydrophobicContact CD1-CE1 4.36Å; I13-F33 HydrophobicContact CD1-CZ 3.89Å; L23-F33 HydrophobicContact CD2-CD2 3.77Å; L23-F33 HydrophobicContact CD2-CE2 3.74Å; A24-F33 CarbonylContact O-C 3.14Å; A24-F33 WeakPolarHBondContact O-CA 3.32Å; A24-F33 WeakPolarHBondContact O-CB 3.27Å; F33-V44 WeakPolarHBondContact O-CA 3.36Å; F33-W45 HydrophobicContact CD1-CB 4.07Å; F33-W45 HydrophobicContact CD2-CB 4.37Å; F33-W45 AromaticContact CD2-CD1 3.87Å; F33-W45 HydrophobicContact CD2-CG 4.45Å; F33-W45 HydrophobicContact CE1-CB 3.67Å; F33-W45 HydrophobicContact CE1-CG 4.26Å; F33-W45 HydrophobicContact CE2-CB 3.98Å; F33-W45 AromaticContact CE2-CD1 3.31Å; F33-W45 AromaticContact CE2-CG 3.79Å; F33-W45 HydrophobicContact CE2-CG 3.79Å; F33-W45 HydrophobicContact CG-CB 4.4Å; F33-W45 HydrophobicContact CZ-CB 3.6Å; F33-W45 AromaticContact CZ-CD1 3.69Å; F33-W45 AromaticContact CZ-CG 3.67Å; F33-W45 HydrophobicContact CZ-CG 3.67Å; F33-W45 PolarHBondContact N-O 3.13Å; F33-W45 PolarHBondContact O-N 2.85Å; F33-F55 HydrophobicContact CD1-CD1 4.03Å; F33-F55 AromaticContact CD1-CE1 3.69Å; F33-F55 HydrophobicContact CD1-CE1 3.69Å; F33-F55 HydrophobicContact CD1-CZ 4.29Å; F33-F55 AromaticContact CE1-CD1 3.55Å; F33-F55 HydrophobicContact CE1-CD1 3.55Å; F33-F55 HydrophobicContact CE1-CD2 4.42Å; F33-F55 AromaticContact CE1-CE1 3.54Å; F33-F55 HydrophobicContact CE1-CE1 3.54Å; F33-F55 HydrophobicContact CE1-CE2 4.42Å; F33-F55 HydrophobicContact CE1-CG 4.03Å; F33-F55 HydrophobicContact CE1-CZ 4Å; F33-L280 HydrophobicContact CB-CD2 3.77Å; F33-L280 HydrophobicContact CD1-CD1 4.25Å; F33-L280 HydrophobicContact CD1-CD2 4.04Å; F33-L280 HydrophobicContact CG-CD2 4.12Å; F33-I294 HydrophobicContact CE2-CD1 4.17Å; F33-I294 HydrophobicContact CE2-CG2 3.98Å; F33-I294 HydrophobicContact CZ-CG2 4Å; F33-I296 HydrophobicContact CE1-CD1 3.84Å; F33-I296 HydrophobicContact CZ-CD1 3.89Å
34V98.3Very high95.8Very high0 Ų037.7 Ų37.70%018%0.184CC..EExtended strand (participates in β ladder)trans-116.6139.6177.361.10000110.3L23 A24 R43 V44 M61 V71 V73 F85L23-V34 VanDerWaalsContact CA-O 3.3Å; L23-V34 WeakPolarHBondContact CA-O 3.11Å; A24-V34 HydrophobicContact CB-CG1 3.79Å; A24-V34 PolarHBondContact N-O 3.01Å; A24-V34 WeakPolarHBondContact O-CG1 3.48Å; A24-V34 PolarHBondContact O-N 3.37Å; V34-R43 CarbonylContact C-O 3.5Å; V34-R43 VanDerWaalsContact CA-O 3.3Å; V34-R43 WeakPolarHBondContact CA-O 3.49Å; V34-R43 WeakPolarHBondContact CG2-O 3.36Å; V34-V44 HydrophobicContact CB-CG2 4.49Å; V34-V44 HydrophobicContact CG2-CG2 4.26Å; V34-M61 HydrophobicContact CG2-CE 3.58Å; V34-V71 HydrophobicContact CB-CG2 4.45Å; V34-V71 HydrophobicContact CG1-CG1 4.12Å; V34-V71 HydrophobicContact CG1-CG2 3.6Å; V34-V71 HydrophobicContact CG2-CG2 3.94Å; V34-V73 HydrophobicContact CG1-CG2 3.96Å; V34-F85 HydrophobicContact CB-CD1 3.87Å; V34-F85 HydrophobicContact CB-CE1 3.93Å; V34-F85 HydrophobicContact CG1-CD1 3.89Å; V34-F85 HydrophobicContact CG1-CE1 4.11Å; V34-F85 HydrophobicContact CG2-CD1 3.94Å; V34-F85 HydrophobicContact CG2-CE1 4.41Å
35S98.7Very high95.8Very high0 Ų037.6 Ų37.60%018%0.18CC..EExtended strand (participates in β ladder)trans-117158.1170.163.40000111.4H16 G22 G42 R43 W45 I294H16-S35 PolarHBondContact NE2-OG 3.01Å; G22-S35 CarbonylContact O-C 3.49Å; G22-S35 WeakPolarHBondContact O-CA 3.48Å; S35-G42 CarbonylContact O-C 3.52Å; S35-G42 WeakPolarHBondContact O-CA 3.31Å; S35-R43 PolarHBondContact N-O 2.85Å; S35-R43 PolarHBondContact O-N 2.92Å; S35-W45 PolarHBondContact OG-NE1 3.15Å; S35-I294 WeakPolarHBondContact OG-CD1 3.17Å
36V98.7Very high95.8Very high0 Ų036 Ų360%017%0.17CC..EExtended strand (participates in β ladder)trans-138.5149.4169.7-70.20000111.6R21 G22 T41 V68 V71 T87R21-V36 PolarHBondContact N-O 3.05Å; G22-V36 PolarHBondContact N-O 3.28Å; G22-V36 PolarHBondContact O-N 3.15Å; V36-T41 WeakPolarHBondContact CA-O 3.28Å; V36-V68 HydrophobicContact CB-CB 3.95Å; V36-V68 HydrophobicContact CB-CG1 3.57Å; V36-V68 HydrophobicContact CG1-CB 4.38Å; V36-V68 HydrophobicContact CG1-CG1 3.62Å; V36-V68 HydrophobicContact CG2-CG1 4.06Å; V36-V71 HydrophobicContact CG1-CB 3.74Å; V36-V71 HydrophobicContact CG1-CG1 4.18Å; V36-V71 HydrophobicContact CG1-CG2 4.24Å; V36-V71 HydrophobicContact CG2-CB 3.97Å; V36-V71 HydrophobicContact CG2-CG1 3.89Å; V36-T87 HydrophobicContact CG1-CG2 3.64Å
37S98.6Very high95.9Very high0 Ų038 Ų380%018%0.182CC..EExtended strand (participates in β ladder)trans-137.7163.1-174.41720000114.3H16 M18 D19 D39 R40 T41 V68H16-S37 WeakPolarHBondContact ND1-CB 3.4Å; M18-S37 VanDerWaalsContact C-OG 3.31Å; M18-S37 PolarHBondContact O-OG 2.71Å; D19-S37 VanDerWaalsContact O-CA 3.25Å; D19-S37 WeakPolarHBondContact O-CA 3.29Å; D19-S37 WeakPolarHBondContact O-CB 3.43Å; D19-S37 PolarHBondContact O-OG 3.26Å; S37-D39 WeakPolarHBondContact CB-OD1 3.46Å; S37-D39 PolarHBondContact O-N 3.25Å; S37-D39 PolarHBondContact OG-N 3.06Å; S37-R40 PolarHBondContact O-N 2.87Å; S37-T41 PolarHBondContact N-O 3.08Å; S37-T41 VanDerWaalsContact N-O 3.07Å; S37-V68 CarbonylContact C-O 3.58Å; S37-V68 PolarHBondContact O-N 3.47Å
38R97.4Very high96.1Very high65 Ų6535.4 Ų35.425%0.24517%0.17CC..THydrogen-bonded Turntrans-61.7-15.1165.3-59.7-173-158.3-159.314.1113.3M18 D19 R21 R40 F67M18-R38 HydrophobicContact CB-CB 3.88Å; M18-R38 HydrophobicContact CE-CB 4.01Å; M18-R38 HydrophobicContact SD-CB 4.07Å; D19-R38 HydrophobicContact CB-CG 4.1Å; D19-R38 PolarHBondContact O-N 2.78Å; D19-R38 WeakPolarHBondContact OD1-CD 3.28Å; D19-R38 IonicContact OD1-CZ 3.8Å; D19-R38 IonicContact OD1-NE 2.9Å; D19-R38 PolarHBondContact OD1-NE 2.91Å; D19-R38 IonicContact OD2-CZ 3.49Å; D19-R38 VanDerWaalsContact OD2-CZ 3.26Å; D19-R38 IonicContact OD2-NE 2.99Å; D19-R38 PolarHBondContact OD2-NE 2.76Å; D19-R38 IonicContact OD2-NH2 3.34Å; D19-R38 PolarHBondContact OD2-NH2 2.99Å; R21-R38 HydrophobicContact CG-CG 3.87Å; R38-R40 PolarHBondContact O-N 3.2Å; R38-F67 HydrophobicContact CB-CB 4.19Å; R38-F67 HydrophobicContact CB-CD1 3.9Å; R38-F67 HydrophobicContact CB-CD2 4.24Å; R38-F67 HydrophobicContact CB-CE1 4.31Å; R38-F67 HydrophobicContact CB-CG 3.85Å; R38-F67 HydrophobicContact CG-CB 4.21Å; R38-F67 HydrophobicContact CG-CD2 4.08Å; R38-F67 HydrophobicContact CG-CG 4.05Å; R38-F67 WeakPolarHBondContact O-CD1 3.49Å
39D97.3Very high95.8Very high17 Ų1736.2 Ų36.29%0.09119%0.187CC..THydrogen-bonded Turntrans-64.2-6.3171.672.810.4000114H16 E17 M18 S37 T41 R43H16-D39 WeakPolarHBondContact CA-OD2 3.12Å; H16-D39 WeakPolarHBondContact CB-OD2 3.12Å; H16-D39 IonicContact CE1-OD2 3.75Å; H16-D39 IonicContact CG-OD2 2.79Å; H16-D39 IonicContact ND1-OD1 2.94Å; H16-D39 PolarHBondContact ND1-OD1 2.76Å; H16-D39 IonicContact ND1-OD2 2.7Å; H16-D39 PolarHBondContact ND1-OD2 2.62Å; E17-D39 HydrophobicContact CB-CB 4.25Å; E17-D39 PolarHBondContact N-OD2 2.86Å; M18-D39 HydrophobicContact CB-CB 4.42Å; M18-D39 HydrophobicContact CG-CB 4.38Å; S37-D39 WeakPolarHBondContact CB-OD1 3.46Å; S37-D39 PolarHBondContact O-N 3.25Å; S37-D39 PolarHBondContact OG-N 3.06Å; D39-T41 VanDerWaalsContact CG-OG1 3.3Å; D39-T41 WeakPolarHBondContact OD1-CA 3.44Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3.1Å; D39-T41 PolarHBondContact OD1-OG1 2.78Å; D39-T41 PolarHBondContact OD2-OG1 2.78Å; D39-R43 IonicContact OD2-NH2 2.96Å
40R97.8Very high95.1Very high139 Ų13940.4 Ų40.453%0.52522%0.217SC..SBendtrans82.811.8179.5-49166.1-70.9-179.4-2.2114.2S37 R38S37-R40 PolarHBondContact O-N 2.87Å; R38-R40 PolarHBondContact O-N 3.2Å
41T98.2Very high94.4Very high24 Ų2437.5 Ų37.515%0.14721%0.214CC..EExtended strand (participates in β ladder)trans-110.1154.6178.271.40000112.7H16 V36 S37 D39 R43 M61H16-T41 PolarHBondContact CE1-OG1 2.83Å; H16-T41 VanDerWaalsContact CE1-OG1 3.28Å; H16-T41 PolarHBondContact ND1-OG1 2.81Å; V36-T41 WeakPolarHBondContact CA-O 3.28Å; S37-T41 PolarHBondContact N-O 3.08Å; S37-T41 VanDerWaalsContact N-O 3.07Å; D39-T41 VanDerWaalsContact CG-OG1 3.3Å; D39-T41 WeakPolarHBondContact OD1-CA 3.44Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3.1Å; D39-T41 PolarHBondContact OD1-OG1 2.78Å; D39-T41 PolarHBondContact OD2-OG1 2.78Å; T41-R43 PolarHBondContact OG1-NE 2.8Å; T41-M61 WeakPolarHBondContact CA-O 3.26Å
42G98.2Very high94Very high3 Ų340.8 Ų40.83%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-114.8144.3157.300000110S35 M61S35-G42 CarbonylContact O-C 3.52Å; S35-G42 WeakPolarHBondContact O-CA 3.31Å; G42-M61 PolarHBondContact N-O 3.37Å; G42-M61 PolarHBondContact O-N 2.85Å
43R98.4Very high93.4Very high48 Ų4842.9 Ų42.918%0.18124%0.24CC..EExtended strand (participates in β ladder)trans-132.7137.8-177.1-66.7176.8-169.8-143.721.4111G15 V34 S35 D39 T41 W45 E57 H59 C60G15-R43 VanDerWaalsContact O-CD 3.29Å; G15-R43 WeakPolarHBondContact O-CD 3.38Å; G15-R43 PolarHBondContact O-NE 2.85Å; G15-R43 VanDerWaalsContact O-NE 3.1Å; G15-R43 PolarHBondContact O-NH1 3.3Å; G15-R43 PolarHBondContact O-NH2 3.3Å; V34-R43 CarbonylContact C-O 3.5Å; V34-R43 VanDerWaalsContact CA-O 3.3Å; V34-R43 WeakPolarHBondContact CA-O 3.49Å; V34-R43 WeakPolarHBondContact CG2-O 3.36Å; S35-R43 PolarHBondContact N-O 2.85Å; S35-R43 PolarHBondContact O-N 2.92Å; D39-R43 IonicContact OD2-NH2 2.96Å; T41-R43 PolarHBondContact OG1-NE 2.8Å; R43-W45 HydrophobicContact CB-CZ2 3.8Å; R43-W45 HydrophobicContact CG-CZ2 4.4Å; R43-E57 WeakPolarHBondContact CD-OE2 3.44Å; R43-E57 IonicContact CZ-OE2 2.63Å; R43-E57 IonicContact NE-OE2 4Å; R43-E57 IonicContact NH1-OE2 3.12Å; R43-E57 PolarHBondContact NH1-OE2 3.09Å; R43-H59 CarbonylContact C-O 3.5Å; R43-H59 WeakPolarHBondContact CA-O 3.06Å; R43-C60 HydrophobicContact CG-CB 4.44Å
44V98Very high93.1Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-103121176.7-168.10000108.9F33 V34 M58 H59 M61 F85 L99F33-V44 WeakPolarHBondContact O-CA 3.36Å; V34-V44 HydrophobicContact CB-CG2 4.49Å; V34-V44 HydrophobicContact CG2-CG2 4.26Å; V44-M58 HydrophobicContact CB-CE 3.94Å; V44-M58 HydrophobicContact CG1-CE 3.43Å; V44-M58 VanDerWaalsContact CG1-CE 3.43Å; V44-M58 PolarHBondContact O-N 3.37Å; V44-H59 HydrophobicContact CB-CB 4.17Å; V44-H59 HydrophobicContact CG2-CB 4.17Å; V44-H59 PolarHBondContact N-O 2.98Å; V44-M61 HydrophobicContact CG2-CE 4.3Å; V44-F85 HydrophobicContact CG1-CE1 4.48Å; V44-F85 HydrophobicContact CG1-CZ 4.33Å; V44-F85 HydrophobicContact CG2-CD1 4.44Å; V44-F85 HydrophobicContact CG2-CE1 4.12Å; V44-F85 HydrophobicContact CG2-CZ 4.16Å; V44-L99 HydrophobicContact CB-CD2 4.49Å; V44-L99 HydrophobicContact CG1-CD2 4.37Å; V44-L99 HydrophobicContact CG2-CD2 4.03Å
45W97.9Very high93.1Very high13 Ų1344.2 Ų44.25%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-105.5131.6-175.3-57.694.7000110.1I13 G15 A32 F33 S35 R43 F55 S56 E57 I294I13-W45 HydrophobicContact CG2-CD2 4.15Å; I13-W45 HydrophobicContact CG2-CE3 3.7Å; I13-W45 HydrophobicContact CG2-CH2 3.71Å; I13-W45 HydrophobicContact CG2-CZ2 4.13Å; I13-W45 HydrophobicContact CG2-CZ3 3.46Å; I13-W45 VanDerWaalsContact CG2-CZ3 3.46Å; G15-W45 VanDerWaalsContact CA-CH2 3.48Å; A32-W45 CarbonylContact C-O 3.52Å; A32-W45 WeakPolarHBondContact CA-O 3.46Å; A32-W45 WeakPolarHBondContact CB-O 3.4Å; F33-W45 HydrophobicContact CD1-CB 4.07Å; F33-W45 HydrophobicContact CD2-CB 4.37Å; F33-W45 AromaticContact CD2-CD1 3.87Å; F33-W45 HydrophobicContact CD2-CG 4.45Å; F33-W45 HydrophobicContact CE1-CB 3.67Å; F33-W45 HydrophobicContact CE1-CG 4.26Å; F33-W45 HydrophobicContact CE2-CB 3.98Å; F33-W45 AromaticContact CE2-CD1 3.31Å; F33-W45 AromaticContact CE2-CG 3.79Å; F33-W45 HydrophobicContact CE2-CG 3.79Å; F33-W45 HydrophobicContact CG-CB 4.4Å; F33-W45 HydrophobicContact CZ-CB 3.6Å; F33-W45 AromaticContact CZ-CD1 3.69Å; F33-W45 AromaticContact CZ-CG 3.67Å; F33-W45 HydrophobicContact CZ-CG 3.67Å; F33-W45 PolarHBondContact N-O 3.13Å; F33-W45 PolarHBondContact O-N 2.85Å; S35-W45 PolarHBondContact OG-NE1 3.15Å; R43-W45 HydrophobicContact CB-CZ2 3.8Å; R43-W45 HydrophobicContact CG-CZ2 4.4Å; W45-F55 HydrophobicContact CB-CB 4.36Å; W45-F55 HydrophobicContact CB-CD1 4.17Å; W45-S56 WeakPolarHBondContact CA-O 3.41Å; W45-E57 HydrophobicContact CE3-CB 4.2Å; W45-E57 HydrophobicContact CH2-CB 4.16Å; W45-E57 HydrophobicContact CZ3-CB 3.77Å; W45-I294 HydrophobicContact CZ2-CD1 4.2Å
46V96.1Very high92.9Very high24 Ų2446.5 Ų46.515%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-115.9140.7179.3-58.80000110.1P29 A32 N48 F55 S56 M58P29-V46 HydrophobicContact CG-CB 4.3Å; P29-V46 HydrophobicContact CG-CG1 3.42Å; P29-V46 VanDerWaalsContact CG-CG1 3.42Å; A32-V46 HydrophobicContact CB-CG1 4.05Å; V46-N48 PolarHBondContact O-N 3.31Å; V46-F55 VanDerWaalsContact C-CD1 3.42Å; V46-F55 CarbonylContact O-C 3.58Å; V46-F55 WeakPolarHBondContact O-CA 3.3Å; V46-F55 WeakPolarHBondContact O-CB 3.42Å; V46-F55 WeakPolarHBondContact O-CD1 3.39Å; V46-S56 PolarHBondContact N-O 3.36Å; V46-S56 PolarHBondContact O-N 3.21Å; V46-M58 HydrophobicContact CG1-CB 3.56Å; V46-M58 HydrophobicContact CG1-CE 3.8Å; V46-M58 HydrophobicContact CG1-CG 4.15Å; V46-M58 HydrophobicContact CG1-SD 3.69Å; V46-M58 HydrophobicContact CG2-CB 4.14Å
47P94.6Very high92.8Very high46 Ų4650.6 Ų50.630%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-58.8138.6174.6-21.131.2000110.9G31 F55G31-P47 WeakPolarHBondContact O-CG 2.87Å; P47-F55 HydrophobicContact CB-CD1 4.48Å; P47-F55 HydrophobicContact CB-CE1 4.2Å; P47-F55 HydrophobicContact CG-CD1 4.25Å; P47-F55 HydrophobicContact CG-CE1 3.69Å; P47-F55 HydrophobicContact CG-CZ 4.26Å
48N92.9Very high92.7Very high41 Ų4154.3 Ų54.322%0.21930%0.303CS..PPolyproline II helixtrans-74.4155.6174.9-66.9-13.5000111V46 D52 G54 F55 S56V46-N48 PolarHBondContact O-N 3.31Å; N48-D52 CarbonylContact C-O 3.58Å; N48-D52 HydrophobicContact CB-CB 3.89Å; N48-D52 PolarHBondContact ND2-OD2 3.43Å; N48-G54 PolarHBondContact N-O 3.01Å; N48-F55 PolarHBondContact ND2-N 2.98Å; N48-F55 VanDerWaalsContact OD1-C 3.23Å; N48-S56 WeakPolarHBondContact OD1-CB 3.28Å; N48-S56 PolarHBondContact OD1-N 3.44Å; N48-S56 PolarHBondContact OD1-OG 2.81Å
49S84.8Confident92.6Very high108 Ų10852.3 Ų52.376%0.75530%0.296SS*.PPolyproline II helixtrans-72.2137174.5-66.80000110.6D52S49-D52 PolarHBondContact O-N 2.88Å; S49-D52 VanDerWaalsContact O-N 3.14Å
50S74.8Confident92.6Very high118 Ų11853.2 Ų53.283%0.82530%0.303SS*.THydrogen-bonded Turntrans-46.1133.2171.81780000111.5
51P75.9Confident92.6Very high125 Ų12546.7 Ų46.781%0.81228%0.279SS*.THydrogen-bonded Turncis-89.7-1.516.236.8-38000115.8T53P51-T53 PolarHBondContact O-N 2.8Å
52D83.5Confident92.5Very high85 Ų8547.6 Ų47.646%0.45529%0.286SS..  trans-76.6115.5-179.7-177.80.2000110.2N48 S49 G54N48-D52 CarbonylContact C-O 3.58Å; N48-D52 HydrophobicContact CB-CB 3.89Å; N48-D52 PolarHBondContact ND2-OD2 3.43Å; S49-D52 PolarHBondContact O-N 2.88Å; S49-D52 VanDerWaalsContact O-N 3.14Å; D52-G54 VanDerWaalsContact C-N 3.29Å; D52-G54 WeakPolarHBondContact OD1-CA 3.44Å; D52-G54 PolarHBondContact OD1-N 3.29Å
53T83.1Confident92.4Very high44 Ų4449.1 Ų49.127%0.2730%0.302SS..  trans-86.11.117959.80000112.6R10 P51R10-T53 PolarHBondContact NE-O 2.95Å; R10-T53 PolarHBondContact NH2-O 3.02Å; P51-T53 PolarHBondContact O-N 2.8Å
54G92.8Very high92.3Very high9 Ų947.6 Ų47.69%0.09330%0.297CS..SBendtrans-73.7-163177.800000114.9N48 D52N48-G54 PolarHBondContact N-O 3.01Å; D52-G54 VanDerWaalsContact C-N 3.29Å; D52-G54 WeakPolarHBondContact OD1-CA 3.44Å; D52-G54 PolarHBondContact OD1-N 3.29Å
55F96.4Very high92.2Very high19 Ų1951.8 Ų51.88%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-134.5153.2175.3-73-105.5000109.7I13 F33 W45 V46 P47 N48 L280 I296I13-F55 HydrophobicContact CD1-CB 3.79Å; I13-F55 HydrophobicContact CD1-CD2 4.06Å; I13-F55 HydrophobicContact CD1-CG 4.09Å; I13-F55 HydrophobicContact CG1-CB 4.48Å; F33-F55 HydrophobicContact CD1-CD1 4.03Å; F33-F55 AromaticContact CD1-CE1 3.69Å; F33-F55 HydrophobicContact CD1-CE1 3.69Å; F33-F55 HydrophobicContact CD1-CZ 4.29Å; F33-F55 AromaticContact CE1-CD1 3.55Å; F33-F55 HydrophobicContact CE1-CD1 3.55Å; F33-F55 HydrophobicContact CE1-CD2 4.42Å; F33-F55 AromaticContact CE1-CE1 3.54Å; F33-F55 HydrophobicContact CE1-CE1 3.54Å; F33-F55 HydrophobicContact CE1-CE2 4.42Å; F33-F55 HydrophobicContact CE1-CG 4.03Å; F33-F55 HydrophobicContact CE1-CZ 4Å; W45-F55 HydrophobicContact CB-CB 4.36Å; W45-F55 HydrophobicContact CB-CD1 4.17Å; V46-F55 VanDerWaalsContact C-CD1 3.42Å; V46-F55 CarbonylContact O-C 3.58Å; V46-F55 WeakPolarHBondContact O-CA 3.3Å; V46-F55 WeakPolarHBondContact O-CB 3.42Å; V46-F55 WeakPolarHBondContact O-CD1 3.39Å; P47-F55 HydrophobicContact CB-CD1 4.48Å; P47-F55 HydrophobicContact CB-CE1 4.2Å; P47-F55 HydrophobicContact CG-CD1 4.25Å; P47-F55 HydrophobicContact CG-CE1 3.69Å; P47-F55 HydrophobicContact CG-CZ 4.26Å; N48-F55 PolarHBondContact ND2-N 2.98Å; N48-F55 VanDerWaalsContact OD1-C 3.23Å; F55-L280 HydrophobicContact CZ-CD1 3.87Å; F55-I296 HydrophobicContact CD2-CG1 4.12Å; F55-I296 HydrophobicContact CE2-CD1 4.44Å; F55-I296 HydrophobicContact CE2-CG1 3.87Å; F55-I296 HydrophobicContact CE2-CG2 4.25Å
56S95.8Very high92.1Very high49 Ų4954 Ų5434%0.34334%0.339SS..EExtended strand (participates in β ladder)trans-122.8151.8174.343.80000110.9W45 V46 N48 M58W45-S56 WeakPolarHBondContact CA-O 3.41Å; V46-S56 PolarHBondContact N-O 3.36Å; V46-S56 PolarHBondContact O-N 3.21Å; N48-S56 WeakPolarHBondContact OD1-CB 3.28Å; N48-S56 PolarHBondContact OD1-N 3.44Å; N48-S56 PolarHBondContact OD1-OG 2.81Å; S56-M58 PolarHBondContact O-N 2.82Å
57E96.6Very high92Very high86 Ų8656.4 Ų56.440%0.40235%0.348SS..EExtended strand (participates in β ladder)trans-72.5121.4172-173.6-177.5124.800109.2R43 W45 C60R43-E57 WeakPolarHBondContact CD-OE2 3.44Å; R43-E57 IonicContact CZ-OE2 2.63Å; R43-E57 IonicContact NE-OE2 4Å; R43-E57 IonicContact NH1-OE2 3.12Å; R43-E57 PolarHBondContact NH1-OE2 3.09Å; W45-E57 HydrophobicContact CE3-CB 4.2Å; W45-E57 HydrophobicContact CH2-CB 4.16Å; W45-E57 HydrophobicContact CZ3-CB 3.77Å; E57-C60 WeakPolarHBondContact OE1-CB 3.46Å
58M95.6Very high92.2Very high78 Ų7854.2 Ų54.238%0.38433%0.334SS..EExtended strand (participates in β ladder)trans-94.7-35.8172.3174.5-173.558.200111.6P29 V44 V46 S56 L99P29-M58 VanDerWaalsContact CD-CE 3.43Å; P29-M58 HydrophobicContact CG-CE 4.17Å; P29-M58 HydrophobicContact CG-SD 3.91Å; V44-M58 HydrophobicContact CB-CE 3.94Å; V44-M58 HydrophobicContact CG1-CE 3.43Å; V44-M58 VanDerWaalsContact CG1-CE 3.43Å; V44-M58 PolarHBondContact O-N 3.37Å; V46-M58 HydrophobicContact CG1-CB 3.56Å; V46-M58 HydrophobicContact CG1-CE 3.8Å; V46-M58 HydrophobicContact CG1-CG 4.15Å; V46-M58 HydrophobicContact CG1-SD 3.69Å; V46-M58 HydrophobicContact CG2-CB 4.14Å; S56-M58 PolarHBondContact O-N 2.82Å; M58-L99 HydrophobicContact CE-CD1 4.25Å; M58-L99 HydrophobicContact CE-CD2 3.71Å
59H96.3Very high92.3Very high22 Ų2252.7 Ų52.710%0.10233%0.326CS..EExtended strand (participates in β ladder)trans-150.4142.9-173.6-16844.1000112.3R43 V44 T98 L99 Q101R43-H59 CarbonylContact C-O 3.5Å; R43-H59 WeakPolarHBondContact CA-O 3.06Å; V44-H59 HydrophobicContact CB-CB 4.17Å; V44-H59 HydrophobicContact CG2-CB 4.17Å; V44-H59 PolarHBondContact N-O 2.98Å; H59-T98 PolarHBondContact NE2-O 3.32Å; H59-L99 HydrophobicContact CB-CD2 4.49Å; H59-Q101 PolarHBondContact CE1-O 3.02Å; H59-Q101 VanDerWaalsContact CE1-O 3.24Å; H59-Q101 PolarHBondContact NE2-O 3.22Å
60C97.1Very high93Very high37 Ų3748 Ų4825%0.2529%0.293CS..EExtended strand (participates in β ladder)trans-122.5121.6174.9-174.40000110.2R43 E57 P102R43-C60 HydrophobicContact CG-CB 4.44Å; E57-C60 WeakPolarHBondContact OE1-CB 3.46Å; C60-P102 WeakPolarHBondContact O-CA 3.34Å; C60-P102 WeakPolarHBondContact O-CB 3.4Å
61M98Very high94.1Very high2 Ų243 Ų431%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-101.6128.9-177.8-60.6179.2-61.700109.3V34 T41 G42 V44 F85 T87 F97 P102V34-M61 HydrophobicContact CG2-CE 3.58Å; T41-M61 WeakPolarHBondContact CA-O 3.26Å; G42-M61 PolarHBondContact N-O 3.37Å; G42-M61 PolarHBondContact O-N 2.85Å; V44-M61 HydrophobicContact CG2-CE 4.3Å; M61-F85 HydrophobicContact CE-CB 4.05Å; M61-F85 HydrophobicContact CE-CG 4.34Å; M61-F85 HydrophobicContact SD-CB 3.71Å; M61-F85 HydrophobicContact SD-CD2 4.39Å; M61-F85 HydrophobicContact SD-CG 4.05Å; M61-T87 HydrophobicContact CE-CG2 4.42Å; M61-F97 HydrophobicContact CB-CD1 3.78Å; M61-F97 HydrophobicContact CB-CD2 4.33Å; M61-F97 HydrophobicContact CB-CE1 3.8Å; M61-F97 HydrophobicContact CB-CE2 4.36Å; M61-F97 HydrophobicContact CB-CG 4.06Å; M61-F97 HydrophobicContact CB-CZ 4.11Å; M61-F97 HydrophobicContact CG-CB 4.14Å; M61-F97 HydrophobicContact CG-CD1 3.94Å; M61-F97 HydrophobicContact CG-CD2 4.48Å; M61-F97 HydrophobicContact CG-CE1 4.47Å; M61-F97 HydrophobicContact CG-CG 3.94Å; M61-F97 HydrophobicContact SD-CB 3.53Å; M61-F97 VanDerWaalsContact SD-CB 3.53Å; M61-F97 HydrophobicContact SD-CD1 4.27Å; M61-F97 HydrophobicContact SD-CD2 3.89Å; M61-F97 HydrophobicContact SD-CG 3.65Å; M61-P102 CarbonylContact C-O 3.6Å; M61-P102 WeakPolarHBondContact CA-O 3.49Å
62S96.1Very high95.1Very high42 Ų4237.6 Ų37.629%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-141.8138.8-177.854.90000109.5P102 Q103S62-P102 PolarHBondContact N-O 2.85Å; S62-Q103 PolarHBondContact O-NE2 2.76Å; S62-Q103 PolarHBondContact O-OE1 2.84Å; S62-Q103 PolarHBondContact OG-NE2 2.84Å
63G95.2Very high95.7Very high36 Ų3634.6 Ų34.637%0.37121%0.207SC..  trans168.6-27.4-175.900000113.9
64H97.6Very high96.3Very high15 Ų1533 Ų337%0.06920%0.197CC..  trans-66.4138.8169.4-74-76.7000111.1N66 V68 T87 G89 D91 N93H64-N66 VanDerWaalsContact C-N 3.34Å; H64-N66 WeakPolarHBondContact CB-O 3.32Å; H64-V68 HydrophobicContact CB-CG2 4.08Å; H64-T87 PolarHBondContact CD2-OG1 2.89Å; H64-T87 PolarHBondContact NE2-O 2.88Å; H64-T87 PolarHBondContact NE2-OG1 2.98Å; H64-G89 PolarHBondContact CE1-N 3.24Å; H64-D91 VanDerWaalsContact CA-OD2 3.32Å; H64-D91 WeakPolarHBondContact CA-OD2 3.27Å; H64-D91 IonicContact CE1-OD1 3.14Å; H64-D91 IonicContact CG-OD1 3.83Å; H64-D91 IonicContact CG-OD2 2.78Å; H64-D91 IonicContact ND1-OD1 3.98Å; H64-D91 PolarHBondContact ND1-OD1 3.12Å; H64-D91 IonicContact ND1-OD2 2.68Å; H64-D91 PolarHBondContact ND1-OD2 2.68Å; H64-N93 PolarHBondContact CE1-O 2.82Å
65S95.4Very high96.1Very high89 Ų8935 Ų3562%0.62221%0.213SC*.SBendtrans-79.6-19.8175.361.10000112.7D91S65-D91 PolarHBondContact N-OD2 3.29Å; S65-D91 WeakPolarHBondContact OG-CB 3.18Å; S65-D91 PolarHBondContact OG-OD2 2.7Å; S65-D91 VanDerWaalsContact OG-OD2 3.04Å
66N96.2Very high95.8Very high60 Ų6036.9 Ų36.932%0.32123%0.227SC..SBendtrans-140.9-175.3178.7-151-16000111.6H64 V68 N90 D91H64-N66 VanDerWaalsContact C-N 3.34Å; H64-N66 WeakPolarHBondContact CB-O 3.32Å; N66-V68 PolarHBondContact O-N 2.82Å; N66-N90 HydrophobicContact CB-CB 4.3Å; N66-N90 PolarHBondContact ND2-OD1 3Å; N66-D91 HydrophobicContact CB-CB 4.3Å
67F94.1Very high95.3Very high73 Ų7337.2 Ų37.232%0.3223%0.229SC..  trans-48.9131-170.2-57.8-17.6000114M18 R38 G89 N90M18-F67 HydrophobicContact CE-CE1 4.47Å; M18-F67 HydrophobicContact CE-CZ 4.46Å; R38-F67 HydrophobicContact CB-CB 4.19Å; R38-F67 HydrophobicContact CB-CD1 3.9Å; R38-F67 HydrophobicContact CB-CD2 4.24Å; R38-F67 HydrophobicContact CB-CE1 4.31Å; R38-F67 HydrophobicContact CB-CG 3.85Å; R38-F67 HydrophobicContact CG-CB 4.21Å; R38-F67 HydrophobicContact CG-CD2 4.08Å; R38-F67 HydrophobicContact CG-CG 4.05Å; R38-F67 WeakPolarHBondContact O-CD1 3.49Å; F67-G89 CarbonylContact O-C 3.54Å; F67-G89 WeakPolarHBondContact O-CA 3.34Å; F67-N90 HydrophobicContact CB-CB 4.2Å; F67-N90 PolarHBondContact O-N 2.85Å
68V98Very high94.5Very high1 Ų142.7 Ų42.71%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-81.7127.9170.2-163.70000108.8V36 S37 H64 N66 T87V36-V68 HydrophobicContact CB-CB 3.95Å; V36-V68 HydrophobicContact CB-CG1 3.57Å; V36-V68 HydrophobicContact CG1-CB 4.38Å; V36-V68 HydrophobicContact CG1-CG1 3.62Å; V36-V68 HydrophobicContact CG2-CG1 4.06Å; S37-V68 CarbonylContact C-O 3.58Å; S37-V68 PolarHBondContact O-N 3.47Å; H64-V68 HydrophobicContact CB-CG2 4.08Å; N66-V68 PolarHBondContact O-N 2.82Å; V68-T87 HydrophobicContact CG1-CG2 4.34Å
69S96.2Very high93.9Very high8 Ų843.9 Ų43.96%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-110.1-24.6-170-69.20000113.9G88S69-G88 PolarHBondContact N-O 3.13Å
70C98.3Very high93.6Very high10 Ų1046.3 Ų46.37%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-155.9161.6-178.159.20000112.3T87 G88 V115 C116 T117C70-T87 WeakPolarHBondContact O-CA 3.41Å; C70-G88 PolarHBondContact N-O 3Å; C70-G88 PolarHBondContact O-N 2.78Å; C70-G88 VanDerWaalsContact SG-CA 3.58Å; C70-V115 PolarHBondContact SG-O 3.49Å; C70-C116 WeakPolarHBondContact CB-O 3.19Å; C70-T117 PolarHBondContact SG-N 3.18Å
71V98.6Very high93.1Very high13 Ų1349.3 Ų49.38%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-146.6146.5177.761.10000110.6A24 V34 V36 A86 T87A24-V71 HydrophobicContact CB-CG1 4.21Å; V34-V71 HydrophobicContact CB-CG2 4.45Å; V34-V71 HydrophobicContact CG1-CG1 4.12Å; V34-V71 HydrophobicContact CG1-CG2 3.6Å; V34-V71 HydrophobicContact CG2-CG2 3.94Å; V36-V71 HydrophobicContact CG1-CB 3.74Å; V36-V71 HydrophobicContact CG1-CG1 4.18Å; V36-V71 HydrophobicContact CG1-CG2 4.24Å; V36-V71 HydrophobicContact CG2-CB 3.97Å; V36-V71 HydrophobicContact CG2-CG1 3.89Å; V71-A86 CarbonylContact C-O 3.58Å; V71-A86 VanDerWaalsContact CA-O 3.31Å; V71-A86 WeakPolarHBondContact CA-O 3.36Å; V71-T87 HydrophobicContact CB-CG2 4.26Å; V71-T87 HydrophobicContact CG2-CG2 3.94Å
72C97.4Very high92.8Very high12 Ų1253.4 Ų53.48%0.08131%0.31CS..EExtended strand (participates in β ladder)trans-141.5163.1160.171.20000110.8A86 L118 L126C72-A86 PolarHBondContact N-O 2.73Å; C72-A86 PolarHBondContact O-N 3.16Å; C72-L118 HydrophobicContact CB-CB 4.19Å; C72-L126 WeakPolarHBondContact SG-CD1 3.43Å
73V96.3Very high92.6Very high21 Ų2151.6 Ų51.613%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-102.6129.3175.9-179.90000109.3A24 T25 I27 V34 F85 S120A24-V73 HydrophobicContact CB-CG2 4.29Å; T25-V73 WeakPolarHBondContact O-CG2 3.1Å; I27-V73 HydrophobicContact CD1-CG1 4.16Å; I27-V73 HydrophobicContact CG1-CG1 4.33Å; V34-V73 HydrophobicContact CG1-CG2 3.96Å; V73-F85 HydrophobicContact CG2-CD1 3.74Å; V73-F85 HydrophobicContact CG2-CE1 3.71Å; V73-S120 WeakPolarHBondContact O-CB 3.26Å
74I94.1Very high92.7Very high10 Ų1050.2 Ų50.25%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-88.3129173.3-57.4172.5000107.7G83 L84 A86 V96 S120I74-G83 VanDerWaalsContact O-CA 3.22Å; I74-G83 WeakPolarHBondContact O-CA 3.21Å; I74-L84 HydrophobicContact CB-CB 4.15Å; I74-L84 HydrophobicContact CD1-CB 4.31Å; I74-L84 PolarHBondContact N-O 2.93Å; I74-L84 PolarHBondContact O-N 3.14Å; I74-L84 VanDerWaalsContact O-N 3.07Å; I74-A86 HydrophobicContact CD1-CB 4.09Å; I74-A86 HydrophobicContact CG1-CB 4.38Å; I74-V96 HydrophobicContact CD1-CG1 4.25Å; I74-S120 WeakPolarHBondContact CA-OG 3.12Å
75A89.8Confident92.6Very high52 Ų5249.5 Ų49.543%0.4328%0.279SS..PPolyproline II helixtrans-59.5149.8-17700000112.8I27I27-A75 HydrophobicContact CD1-CB 4.28Å
76P89.7Confident92.8Very high58 Ų5845.3 Ų45.338%0.37725%0.249SC..PPolyproline II helixtrans-50.4145174.3-3035.2000114.6I27 Y80I27-P76 HydrophobicContact CG2-CG 3.86Å; P76-Y80 VanDerWaalsContact CA-O 3.31Å; P76-Y80 WeakPolarHBondContact CA-O 3.44Å
77S84.7Confident92.9Very high56 Ų5642.5 Ų42.539%0.39224%0.235SC..  trans-131.8173.5171.871.10000110.3T79 Y80 P81S77-T79 PolarHBondContact O-N 3.01Å; S77-T79 PolarHBondContact OG-N 2.99Å; S77-Y80 PolarHBondContact N-O 3.39Å; S77-Y80 CarbonylContact O-C 3.55Å; S77-Y80 PolarHBondContact O-N 3.39Å; S77-Y80 PolarHBondContact OG-N 2.88Å; S77-Y80 VanDerWaalsContact OG-N 3.13Å; S77-P81 WeakPolarHBondContact O-CA 3.38Å
78E79.9Confident93.1Very high201 Ų20139 Ų3994%0.93922%0.219SC*.SBendtrans-57.2-36.9174.3-61.7-172.7162.100112.1
79T82.9Confident93Very high104 Ų10439 Ų3964%0.63822%0.219SC*.SBendtrans-74.6-37.4176.5-42.20000112.5S77 P81S77-T79 PolarHBondContact O-N 3.01Å; S77-T79 PolarHBondContact OG-N 2.99Å; T79-P81 WeakPolarHBondContact O-CD 3.43Å
80Y89.4Confident93.1Very high72 Ų7241.1 Ų41.128%0.28223%0.23SC..  trans-126.476.7-175-56-66.8000110.6P76 S77 R82 G83 L84 T98 L105P76-Y80 VanDerWaalsContact CA-O 3.31Å; P76-Y80 WeakPolarHBondContact CA-O 3.44Å; S77-Y80 PolarHBondContact N-O 3.39Å; S77-Y80 CarbonylContact O-C 3.55Å; S77-Y80 PolarHBondContact O-N 3.39Å; S77-Y80 PolarHBondContact OG-N 2.88Å; S77-Y80 VanDerWaalsContact OG-N 3.13Å; Y80-R82 PolarHBondContact O-N 3.34Å; Y80-R82 VanDerWaalsContact O-N 3.08Å; Y80-G83 PolarHBondContact O-N 3.27Å; Y80-L84 HydrophobicContact CD1-CD2 3.76Å; Y80-L84 HydrophobicContact CD1-CG 4.43Å; Y80-L84 HydrophobicContact CD2-CD1 3.72Å; Y80-L84 HydrophobicContact CD2-CD2 4.28Å; Y80-L84 HydrophobicContact CD2-CG 4.12Å; Y80-L84 HydrophobicContact CE1-CD2 4.26Å; Y80-L84 HydrophobicContact CE2-CD1 4.04Å; Y80-L84 HydrophobicContact CG-CD1 4.06Å; Y80-L84 HydrophobicContact CG-CD2 3.77Å; Y80-L84 HydrophobicContact CG-CG 3.94Å; Y80-T98 HydrophobicContact CD1-CG2 4.43Å; Y80-T98 HydrophobicContact CE1-CG2 4.44Å; Y80-L105 HydrophobicContact CE1-CD2 3.79Å
81P87.9Confident93Very high100 Ų10041.6 Ų41.665%0.64923%0.232SC*.THydrogen-bonded Turntrans-68.6-9.7-172.526.1-35.8000114.6S77 T79S77-P81 WeakPolarHBondContact O-CA 3.38Å; T79-P81 WeakPolarHBondContact O-CD 3.43Å
82R91.4Very high92.9Very high88 Ų8843.5 Ų43.533%0.33224%0.241SC..THydrogen-bonded Turntrans-100.84.4172.3-71.8179.4-73.9169.3-3.5113.4F28 Y80 L99 D100F28-R82 HydrophobicContact CB-CB 4.2Å; F28-R82 HydrophobicContact CB-CG 4.26Å; F28-R82 HydrophobicContact CD1-CB 4.15Å; F28-R82 VanDerWaalsContact CD1-CD 3.45Å; F28-R82 HydrophobicContact CD1-CG 3.66Å; F28-R82 HydrophobicContact CD2-CG 4.21Å; F28-R82 VanDerWaalsContact CE1-CD 3.42Å; F28-R82 HydrophobicContact CE1-CG 4.04Å; F28-R82 HydrophobicContact CG-CB 4.21Å; F28-R82 HydrophobicContact CG-CG 3.76Å; F28-R82 HydrophobicContact CZ-CG 4.47Å; Y80-R82 PolarHBondContact O-N 3.34Å; Y80-R82 VanDerWaalsContact O-N 3.08Å; R82-L99 HydrophobicContact CB-CD1 4.33Å; R82-D100 IonicContact CZ-OD1 3.26Å; R82-D100 VanDerWaalsContact CZ-OD1 3.28Å; R82-D100 IonicContact CZ-OD2 3.23Å; R82-D100 IonicContact NH1-OD1 3.72Å; R82-D100 PolarHBondContact NH1-OD1 2.91Å; R82-D100 IonicContact NH2-OD1 3.53Å; R82-D100 PolarHBondContact NH2-OD1 3.42Å; R82-D100 IonicContact NH2-OD2 2.76Å; R82-D100 PolarHBondContact NH2-OD2 2.98Å
83G92.5Very high93Very high5 Ų544.8 Ų44.85%0.05225%0.248CC..  trans73.8-174.5-169.800000112.7I74 Y80I74-G83 VanDerWaalsContact O-CA 3.22Å; I74-G83 WeakPolarHBondContact O-CA 3.21Å; Y80-G83 PolarHBondContact O-N 3.27Å
84L95.6Very high93.1Very high6 Ų643.9 Ų43.93%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-133160.4175.2-60.6171.5000110.1I74 Y80 V96 F97 T98 L105I74-L84 HydrophobicContact CB-CB 4.15Å; I74-L84 HydrophobicContact CD1-CB 4.31Å; I74-L84 PolarHBondContact N-O 2.93Å; I74-L84 PolarHBondContact O-N 3.14Å; I74-L84 VanDerWaalsContact O-N 3.07Å; Y80-L84 HydrophobicContact CD1-CD2 3.76Å; Y80-L84 HydrophobicContact CD1-CG 4.43Å; Y80-L84 HydrophobicContact CD2-CD1 3.72Å; Y80-L84 HydrophobicContact CD2-CD2 4.28Å; Y80-L84 HydrophobicContact CD2-CG 4.12Å; Y80-L84 HydrophobicContact CE1-CD2 4.26Å; Y80-L84 HydrophobicContact CE2-CD1 4.04Å; Y80-L84 HydrophobicContact CG-CD1 4.06Å; Y80-L84 HydrophobicContact CG-CD2 3.77Å; Y80-L84 HydrophobicContact CG-CG 3.94Å; L84-V96 HydrophobicContact CB-CG1 3.91Å; L84-V96 HydrophobicContact CD1-CG1 3.85Å; L84-V96 HydrophobicContact CG-CG1 4.39Å; L84-F97 WeakPolarHBondContact CA-O 3.43Å; L84-F97 WeakPolarHBondContact CD2-O 3.46Å; L84-T98 HydrophobicContact CD2-CG2 3.7Å; L84-L105 HydrophobicContact CD2-CD2 4.18Å
85F97.3Very high93.3Very high1 Ų143.5 Ų43.50%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-110.2127.7173.8-60.2-93.7000108.7A26 V34 V44 M61 V73 V96 F97 L99A26-F85 HydrophobicContact CB-CE1 4Å; A26-F85 HydrophobicContact CB-CZ 4.12Å; V34-F85 HydrophobicContact CB-CD1 3.87Å; V34-F85 HydrophobicContact CB-CE1 3.93Å; V34-F85 HydrophobicContact CG1-CD1 3.89Å; V34-F85 HydrophobicContact CG1-CE1 4.11Å; V34-F85 HydrophobicContact CG2-CD1 3.94Å; V34-F85 HydrophobicContact CG2-CE1 4.41Å; V44-F85 HydrophobicContact CG1-CE1 4.48Å; V44-F85 HydrophobicContact CG1-CZ 4.33Å; V44-F85 HydrophobicContact CG2-CD1 4.44Å; V44-F85 HydrophobicContact CG2-CE1 4.12Å; V44-F85 HydrophobicContact CG2-CZ 4.16Å; M61-F85 HydrophobicContact CE-CB 4.05Å; M61-F85 HydrophobicContact CE-CG 4.34Å; M61-F85 HydrophobicContact SD-CB 3.71Å; M61-F85 HydrophobicContact SD-CD2 4.39Å; M61-F85 HydrophobicContact SD-CG 4.05Å; V73-F85 HydrophobicContact CG2-CD1 3.74Å; V73-F85 HydrophobicContact CG2-CE1 3.71Å; F85-V96 CarbonylContact O-C 3.44Å; F85-V96 VanDerWaalsContact O-CA 3.28Å; F85-V96 WeakPolarHBondContact O-CA 2.98Å; F85-F97 HydrophobicContact CB-CB 4.46Å; F85-F97 PolarHBondContact N-O 2.95Å; F85-F97 PolarHBondContact O-N 3.49Å; F85-L99 HydrophobicContact CD2-CD2 4.21Å; F85-L99 HydrophobicContact CE2-CD1 4.35Å; F85-L99 HydrophobicContact CE2-CD2 3.37Å; F85-L99 HydrophobicContact CE2-CG 3.69Å; F85-L99 HydrophobicContact CZ-CD2 3.84Å; F85-L99 HydrophobicContact CZ-CG 4.41Å
86A98.2Very high93.7Very high0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-113.5125.2175.300000109.5V71 C72 I74 I94 C95 V96 L118 L126V71-A86 CarbonylContact C-O 3.58Å; V71-A86 VanDerWaalsContact CA-O 3.31Å; V71-A86 WeakPolarHBondContact CA-O 3.36Å; C72-A86 PolarHBondContact N-O 2.73Å; C72-A86 PolarHBondContact O-N 3.16Å; I74-A86 HydrophobicContact CD1-CB 4.09Å; I74-A86 HydrophobicContact CG1-CB 4.38Å; A86-I94 HydrophobicContact CB-CG2 4.24Å; A86-C95 WeakPolarHBondContact CA-O 3.29Å; A86-V96 HydrophobicContact CB-CG2 4.08Å; A86-L118 HydrophobicContact CB-CD1 4.33Å; A86-L118 WeakPolarHBondContact O-CD1 3.48Å; A86-L126 HydrophobicContact CB-CD1 4.21Å; A86-L126 HydrophobicContact CB-CD2 4.14Å
87T98.8Very high94Very high2 Ų238.4 Ų38.41%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-119138.8179.263.70000110.8V36 M61 H64 V68 C70 V71 I94 C95 F97V36-T87 HydrophobicContact CG1-CG2 3.64Å; M61-T87 HydrophobicContact CE-CG2 4.42Å; H64-T87 PolarHBondContact CD2-OG1 2.89Å; H64-T87 PolarHBondContact NE2-O 2.88Å; H64-T87 PolarHBondContact NE2-OG1 2.98Å; V68-T87 HydrophobicContact CG1-CG2 4.34Å; C70-T87 WeakPolarHBondContact O-CA 3.41Å; V71-T87 HydrophobicContact CB-CG2 4.26Å; V71-T87 HydrophobicContact CG2-CG2 3.94Å; T87-I94 CarbonylContact O-C 3.51Å; T87-I94 VanDerWaalsContact O-CA 3.22Å; T87-I94 WeakPolarHBondContact O-CA 3.25Å; T87-I94 WeakPolarHBondContact O-CG2 3.35Å; T87-C95 PolarHBondContact N-O 3.46Å; T87-C95 PolarHBondContact O-N 2.91Å; T87-F97 HydrophobicContact CG2-CE2 4.32Å; T87-F97 WeakPolarHBondContact OG1-CE2 3.23Å
88G98.6Very high94.5Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-110.7133.8178.500000111.3S69 C70 V115S69-G88 PolarHBondContact N-O 3.13Å; C70-G88 PolarHBondContact N-O 3Å; C70-G88 PolarHBondContact O-N 2.78Å; C70-G88 VanDerWaalsContact SG-CA 3.58Å; G88-V115 CarbonylContact C-O 3.51Å; G88-V115 VanDerWaalsContact C-O 3.27Å
89G95.8Very high95.1Very high0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-116.6165.1-171.400000115.4H64 F67 D91 N92 N93 T114 V115H64-G89 PolarHBondContact CE1-N 3.24Å; F67-G89 CarbonylContact O-C 3.54Å; F67-G89 WeakPolarHBondContact O-CA 3.34Å; G89-D91 WeakPolarHBondContact CA-OD1 3.38Å; G89-D91 PolarHBondContact O-N 3.32Å; G89-N92 PolarHBondContact O-N 3.29Å; G89-N93 PolarHBondContact N-O 2.96Å; G89-N93 VanDerWaalsContact N-O 3.09Å; G89-T114 WeakPolarHBondContact O-CA 3.34Å; G89-V115 PolarHBondContact O-N 3.32Å
90N97.6Very high95.4Very high52 Ų5227.9 Ų27.928%0.27815%0.145SC..THydrogen-bonded Turntrans-66.7-15.8167.1175.8-107.8000112.9N66 F67 N92 T114N66-N90 HydrophobicContact CB-CB 4.3Å; N66-N90 PolarHBondContact ND2-OD1 3Å; F67-N90 HydrophobicContact CB-CB 4.2Å; F67-N90 PolarHBondContact O-N 2.85Å; N90-N92 PolarHBondContact O-N 2.58Å; N90-N92 PolarHBondContact O-OD1 2.83Å; N90-T114 HydrophobicContact CB-CG2 4.38Å; N90-T114 PolarHBondContact ND2-OG1 3.17Å
91D96.7Very high95.6Very high21 Ų2129.8 Ų29.811%0.11216%0.156CC..THydrogen-bonded Turntrans-81.718.2172.462.1-5.9000114.2H64 S65 N66 G89 N93H64-D91 VanDerWaalsContact CA-OD2 3.32Å; H64-D91 WeakPolarHBondContact CA-OD2 3.27Å; H64-D91 IonicContact CE1-OD1 3.14Å; H64-D91 IonicContact CG-OD1 3.83Å; H64-D91 IonicContact CG-OD2 2.78Å; H64-D91 IonicContact ND1-OD1 3.98Å; H64-D91 PolarHBondContact ND1-OD1 3.12Å; H64-D91 IonicContact ND1-OD2 2.68Å; H64-D91 PolarHBondContact ND1-OD2 2.68Å; S65-D91 PolarHBondContact N-OD2 3.29Å; S65-D91 WeakPolarHBondContact OG-CB 3.18Å; S65-D91 PolarHBondContact OG-OD2 2.7Å; S65-D91 VanDerWaalsContact OG-OD2 3.04Å; N66-D91 HydrophobicContact CB-CB 4.3Å; G89-D91 WeakPolarHBondContact CA-OD1 3.38Å; G89-D91 PolarHBondContact O-N 3.32Å; D91-N93 PolarHBondContact O-N 2.83Å; D91-N93 VanDerWaalsContact O-N 3.08Å
92N97.3Very high95.9Very high52 Ų5228.1 Ų28.128%0.27815%0.146SC..SBendtrans67.30.4176.3-40.2-34.1000115.2G89 N90 N113 T114 V115G89-N92 PolarHBondContact O-N 3.29Å; N90-N92 PolarHBondContact O-N 2.58Å; N90-N92 PolarHBondContact O-OD1 2.83Å; N92-N113 WeakPolarHBondContact OD1-CA 3.42Å; N92-N113 PolarHBondContact OD1-N 2.73Å; N92-N113 PolarHBondContact OD1-O 2.97Å; N92-T114 PolarHBondContact OD1-N 2.88Å; N92-T114 VanDerWaalsContact OD1-N 3.11Å; N92-V115 WeakPolarHBondContact O-CG2 3.37Å
93N97.8Very high96.2Very high40 Ų4028.7 Ų28.721%0.21415%0.152CC..  trans-97.8159.5-173.2-70.3-24.6000112H64 G89 D91 T107H64-N93 PolarHBondContact CE1-O 2.82Å; G89-N93 PolarHBondContact N-O 2.96Å; G89-N93 VanDerWaalsContact N-O 3.09Å; D91-N93 PolarHBondContact O-N 2.83Å; D91-N93 VanDerWaalsContact O-N 3.08Å; N93-T107 HydrophobicContact CB-CG2 3.8Å
94I98.7Very high96.4Very high1 Ų130.1 Ų30.11%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-116.2116.4163.1-54164.2000107.7A86 T87 V96 T107 L108 V115 L118 L126 W138A86-I94 HydrophobicContact CB-CG2 4.24Å; T87-I94 CarbonylContact O-C 3.51Å; T87-I94 VanDerWaalsContact O-CA 3.22Å; T87-I94 WeakPolarHBondContact O-CA 3.25Å; T87-I94 WeakPolarHBondContact O-CG2 3.35Å; I94-V96 HydrophobicContact CG2-CG2 4.39Å; I94-T107 CarbonylContact O-C 3.55Å; I94-T107 WeakPolarHBondContact O-CA 3.46Å; I94-L108 HydrophobicContact CB-CB 4.03Å; I94-L108 HydrophobicContact CB-CD1 4.17Å; I94-L108 HydrophobicContact CB-CG 4.25Å; I94-L108 HydrophobicContact CD1-CB 4.42Å; I94-L108 HydrophobicContact CD1-CD1 4.16Å; I94-L108 HydrophobicContact CG2-CD1 4.16Å; I94-L108 PolarHBondContact N-O 3.22Å; I94-L108 VanDerWaalsContact N-O 3.15Å; I94-L108 PolarHBondContact O-N 2.71Å; I94-V115 HydrophobicContact CD1-CG1 4.39Å; I94-V115 HydrophobicContact CG1-CB 4.45Å; I94-V115 HydrophobicContact CG1-CG1 3.99Å; I94-V115 HydrophobicContact CG1-CG2 4.19Å; I94-L118 HydrophobicContact CD1-CD2 3.88Å; I94-L118 HydrophobicContact CG1-CD2 4.17Å; I94-L118 HydrophobicContact CG2-CD1 4.16Å; I94-L118 HydrophobicContact CG2-CD2 4.31Å; I94-L126 HydrophobicContact CD1-CD2 4.27Å; I94-L126 HydrophobicContact CG2-CD2 3.98Å; I94-W138 HydrophobicContact CD1-CZ2 4Å
95C98.4Very high96.4Very high2 Ų233.3 Ų33.31%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-96.5133.2176.3-700000109.4A86 T87 F97 P104A86-C95 WeakPolarHBondContact CA-O 3.29Å; T87-C95 PolarHBondContact N-O 3.46Å; T87-C95 PolarHBondContact O-N 2.91Å; C95-F97 HydrophobicContact CB-CD2 4.4Å; C95-F97 HydrophobicContact CB-CE2 3.39Å; C95-F97 HydrophobicContact CB-CZ 3.62Å; C95-P104 HydrophobicContact CB-CB 4.05Å
96V97.9Very high96.3Very high1 Ų134.6 Ų34.61%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-115.9132.3-179.9-176.20000110.2I74 L84 F85 A86 I94 P104 L105 Y106I74-V96 HydrophobicContact CD1-CG1 4.25Å; L84-V96 HydrophobicContact CB-CG1 3.91Å; L84-V96 HydrophobicContact CD1-CG1 3.85Å; L84-V96 HydrophobicContact CG-CG1 4.39Å; F85-V96 CarbonylContact O-C 3.44Å; F85-V96 VanDerWaalsContact O-CA 3.28Å; F85-V96 WeakPolarHBondContact O-CA 2.98Å; A86-V96 HydrophobicContact CB-CG2 4.08Å; I94-V96 HydrophobicContact CG2-CG2 4.39Å; V96-P104 CarbonylContact O-C 3.52Å; V96-P104 WeakPolarHBondContact O-CA 3.4Å; V96-L105 WeakPolarHBondContact O-CB 3.31Å; V96-L105 PolarHBondContact O-N 2.82Å; V96-Y106 HydrophobicContact CB-CD2 3.88Å; V96-Y106 HydrophobicContact CB-CE2 3.52Å; V96-Y106 HydrophobicContact CG1-CE1 4.38Å; V96-Y106 HydrophobicContact CG1-CE2 3.95Å; V96-Y106 HydrophobicContact CG2-CD2 4Å; V96-Y106 HydrophobicContact CG2-CE2 3.46Å; V96-Y106 VanDerWaalsContact CG2-CE2 3.46Å; V96-Y106 PolarHBondContact N-O 3.25Å
97F97.4Very high96.2Very high2 Ų237.1 Ų37.11%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-127.4150-168.8-58.4-98.4000112.6M61 L84 F85 T87 C95 P102 Q103 P104M61-F97 HydrophobicContact CB-CD1 3.78Å; M61-F97 HydrophobicContact CB-CD2 4.33Å; M61-F97 HydrophobicContact CB-CE1 3.8Å; M61-F97 HydrophobicContact CB-CE2 4.36Å; M61-F97 HydrophobicContact CB-CG 4.06Å; M61-F97 HydrophobicContact CB-CZ 4.11Å; M61-F97 HydrophobicContact CG-CB 4.14Å; M61-F97 HydrophobicContact CG-CD1 3.94Å; M61-F97 HydrophobicContact CG-CD2 4.48Å; M61-F97 HydrophobicContact CG-CE1 4.47Å; M61-F97 HydrophobicContact CG-CG 3.94Å; M61-F97 HydrophobicContact SD-CB 3.53Å; M61-F97 VanDerWaalsContact SD-CB 3.53Å; M61-F97 HydrophobicContact SD-CD1 4.27Å; M61-F97 HydrophobicContact SD-CD2 3.89Å; M61-F97 HydrophobicContact SD-CG 3.65Å; L84-F97 WeakPolarHBondContact CA-O 3.43Å; L84-F97 WeakPolarHBondContact CD2-O 3.46Å; F85-F97 HydrophobicContact CB-CB 4.46Å; F85-F97 PolarHBondContact N-O 2.95Å; F85-F97 PolarHBondContact O-N 3.49Å; T87-F97 HydrophobicContact CG2-CE2 4.32Å; T87-F97 WeakPolarHBondContact OG1-CE2 3.23Å; C95-F97 HydrophobicContact CB-CD2 4.4Å; C95-F97 HydrophobicContact CB-CE2 3.39Å; C95-F97 HydrophobicContact CB-CZ 3.62Å; F97-P102 WeakPolarHBondContact CE1-O 3.28Å; F97-Q103 WeakPolarHBondContact CD1-O 3.47Å; F97-P104 HydrophobicContact CD1-CB 4.39Å; F97-P104 HydrophobicContact CE1-CB 4.03Å; F97-P104 HydrophobicContact CE1-CG 4.43Å; F97-P104 VanDerWaalsContact CE1-N 3.31Å; F97-P104 HydrophobicContact CZ-CB 4.15Å
98T95.1Very high96.2Very high18 Ų1837.2 Ų37.211%0.1120%0.198CC..  trans-95.7168.2161.166.70000110.1H59 Y80 L84 D100 L105H59-T98 PolarHBondContact NE2-O 3.32Å; Y80-T98 HydrophobicContact CD1-CG2 4.43Å; Y80-T98 HydrophobicContact CE1-CG2 4.44Å; L84-T98 HydrophobicContact CD2-CG2 3.7Å; T98-D100 PolarHBondContact O-N 3.08Å; T98-D100 PolarHBondContact OG1-N 2.89Å; T98-L105 HydrophobicContact CG2-CB 4.49Å; T98-L105 HydrophobicContact CG2-CD1 4.47Å; T98-L105 HydrophobicContact CG2-CD2 4.03Å
99L91.8Very high96Very high20 Ų2044 Ų4411%0.10523%0.23CC..THydrogen-bonded Turntrans-74-8.4172.1-71176000114.3F28 V44 M58 H59 R82 F85F28-L99 HydrophobicContact CD1-CD1 3.66Å; F28-L99 HydrophobicContact CE1-CD1 4.31Å; V44-L99 HydrophobicContact CB-CD2 4.49Å; V44-L99 HydrophobicContact CG1-CD2 4.37Å; V44-L99 HydrophobicContact CG2-CD2 4.03Å; M58-L99 HydrophobicContact CE-CD1 4.25Å; M58-L99 HydrophobicContact CE-CD2 3.71Å; H59-L99 HydrophobicContact CB-CD2 4.49Å; R82-L99 HydrophobicContact CB-CD1 4.33Å; F85-L99 HydrophobicContact CD2-CD2 4.21Å; F85-L99 HydrophobicContact CE2-CD1 4.35Å; F85-L99 HydrophobicContact CE2-CD2 3.37Å; F85-L99 HydrophobicContact CE2-CG 3.69Å; F85-L99 HydrophobicContact CZ-CD2 3.84Å; F85-L99 HydrophobicContact CZ-CG 4.41Å
100D89.3Confident95.9Very high102 Ų10246 Ų4655%0.54525%0.25SS..THydrogen-bonded Turntrans-95.9-14.5-171.5-52.7-59.9000113.2R82 T98R82-D100 IonicContact CZ-OD1 3.26Å; R82-D100 VanDerWaalsContact CZ-OD1 3.28Å; R82-D100 IonicContact CZ-OD2 3.23Å; R82-D100 IonicContact NH1-OD1 3.72Å; R82-D100 PolarHBondContact NH1-OD1 2.91Å; R82-D100 IonicContact NH2-OD1 3.53Å; R82-D100 PolarHBondContact NH2-OD1 3.42Å; R82-D100 IonicContact NH2-OD2 2.76Å; R82-D100 PolarHBondContact NH2-OD2 2.98Å; T98-D100 PolarHBondContact O-N 3.08Å; T98-D100 PolarHBondContact OG1-N 2.89Å
101Q92.9Very high95.9Very high113 Ų11344.2 Ų44.253%0.52824%0.24SC..  trans-138.6136.9-174.4-60.2-170.723.600111H59 Q103H59-Q101 PolarHBondContact CE1-O 3.02Å; H59-Q101 VanDerWaalsContact CE1-O 3.24Å; H59-Q101 PolarHBondContact NE2-O 3.22Å; Q101-Q103 VanDerWaalsContact C-N 3.29Å
102P95.2Very high95.8Very high65 Ų6551.7 Ų51.742%0.42227%0.272SS..SBendtrans-76.3-18.8179.731.3-35.9000112.5C60 M61 S62 F97C60-P102 WeakPolarHBondContact O-CA 3.34Å; C60-P102 WeakPolarHBondContact O-CB 3.4Å; M61-P102 CarbonylContact C-O 3.6Å; M61-P102 WeakPolarHBondContact CA-O 3.49Å; S62-P102 PolarHBondContact N-O 2.85Å; F97-P102 WeakPolarHBondContact CE1-O 3.28Å
103Q96.8Very high95.8Very high100 Ų10052.2 Ų52.247%0.46728%0.275SS..SBendtrans-90.3155178.3-65.1-56.4-62.300111S62 F97 Q101 L105S62-Q103 PolarHBondContact O-NE2 2.76Å; S62-Q103 PolarHBondContact O-OE1 2.84Å; S62-Q103 PolarHBondContact OG-NE2 2.84Å; F97-Q103 WeakPolarHBondContact CD1-O 3.47Å; Q101-Q103 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 2.68Å
104P97.3Very high95.8Very high35 Ų3550.4 Ų50.423%0.22727%0.265CS..  trans-61.8138.2176.924.2-33000111.4C95 V96 F97 Y106C95-P104 HydrophobicContact CB-CB 4.05Å; V96-P104 CarbonylContact O-C 3.52Å; V96-P104 WeakPolarHBondContact O-CA 3.4Å; F97-P104 HydrophobicContact CD1-CB 4.39Å; F97-P104 HydrophobicContact CE1-CB 4.03Å; F97-P104 HydrophobicContact CE1-CG 4.43Å; F97-P104 VanDerWaalsContact CE1-N 3.31Å; F97-P104 HydrophobicContact CZ-CB 4.15Å; P104-Y106 VanDerWaalsContact C-N 3.35Å
105L95.7Very high95.8Very high72 Ų7250.4 Ų50.438%0.37727%0.265SS..SBendtrans-64.5-42.5167.8176.369.9000110.5Y80 L84 V96 T98 Q103Y80-L105 HydrophobicContact CE1-CD2 3.79Å; L84-L105 HydrophobicContact CD2-CD2 4.18Å; V96-L105 WeakPolarHBondContact O-CB 3.31Å; V96-L105 PolarHBondContact O-N 2.82Å; T98-L105 HydrophobicContact CG2-CB 4.49Å; T98-L105 HydrophobicContact CG2-CD1 4.47Å; T98-L105 HydrophobicContact CG2-CD2 4.03Å; Q103-L105 PolarHBondContact O-N 2.68Å
106Y95.2Very high95.7Very high29 Ų2950.9 Ų50.911%0.11427%0.268CS..EExtended strand (participates in β ladder)trans-155.9165170.654.4-104.6000110.5V96 P104 L108 E141V96-Y106 HydrophobicContact CB-CD2 3.88Å; V96-Y106 HydrophobicContact CB-CE2 3.52Å; V96-Y106 HydrophobicContact CG1-CE1 4.38Å; V96-Y106 HydrophobicContact CG1-CE2 3.95Å; V96-Y106 HydrophobicContact CG2-CD2 4Å; V96-Y106 HydrophobicContact CG2-CE2 3.46Å; V96-Y106 VanDerWaalsContact CG2-CE2 3.46Å; V96-Y106 PolarHBondContact N-O 3.25Å; P104-Y106 VanDerWaalsContact C-N 3.35Å; Y106-L108 HydrophobicContact CD2-CD2 3.8Å; Y106-L108 HydrophobicContact CD2-CG 4.46Å; Y106-L108 HydrophobicContact CE2-CD2 3.77Å; Y106-L108 HydrophobicContact CE2-CG 4.39Å; Y106-E141 HydrophobicContact CD1-CG 3.89Å; Y106-E141 HydrophobicContact CD2-CG 3.72Å; Y106-E141 HydrophobicContact CE1-CG 4.29Å; Y106-E141 HydrophobicContact CE2-CG 4.11Å; Y106-E141 HydrophobicContact CG-CG 3.6Å
107T96.9Very high95.8Very high52 Ų5251.8 Ų51.832%0.31927%0.274SS..EExtended strand (participates in β ladder)trans-123.6130.9177.9-60.40000109.6N93 I94 E109N93-T107 HydrophobicContact CB-CG2 3.8Å; I94-T107 CarbonylContact O-C 3.55Å; I94-T107 WeakPolarHBondContact O-CA 3.46Å; T107-E109 HydrophobicContact CG2-CG 4.28Å
108L97.4Very high95.8Very high4 Ų452.4 Ų52.42%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-91.5115.6173.7-43.5177.1000109.2I94 Y106 L126 W138 N140 E141I94-L108 HydrophobicContact CB-CB 4.03Å; I94-L108 HydrophobicContact CB-CD1 4.17Å; I94-L108 HydrophobicContact CB-CG 4.25Å; I94-L108 HydrophobicContact CD1-CB 4.42Å; I94-L108 HydrophobicContact CD1-CD1 4.16Å; I94-L108 HydrophobicContact CG2-CD1 4.16Å; I94-L108 PolarHBondContact N-O 3.22Å; I94-L108 VanDerWaalsContact N-O 3.15Å; I94-L108 PolarHBondContact O-N 2.71Å; Y106-L108 HydrophobicContact CD2-CD2 3.8Å; Y106-L108 HydrophobicContact CD2-CG 4.46Å; Y106-L108 HydrophobicContact CE2-CD2 3.77Å; Y106-L108 HydrophobicContact CE2-CG 4.39Å; L108-L126 HydrophobicContact CD1-CD2 3.83Å; L108-W138 HydrophobicContact CB-CD2 4.27Å; L108-W138 HydrophobicContact CB-CE3 3.81Å; L108-W138 HydrophobicContact CB-CH2 4.14Å; L108-W138 HydrophobicContact CB-CZ3 3.73Å; L108-W138 HydrophobicContact CD1-CB 4.04Å; L108-W138 HydrophobicContact CD1-CD2 3.87Å; L108-W138 HydrophobicContact CD1-CE3 4.02Å; L108-W138 HydrophobicContact CD1-CG 3.87Å; L108-W138 HydrophobicContact CD2-CE3 4.44Å; L108-W138 HydrophobicContact CG-CE3 4.32Å; L108-N140 WeakPolarHBondContact CD2-O 3.38Å; L108-E141 VanDerWaalsContact CD2-CA 3.5Å; L108-E141 HydrophobicContact CD2-CB 4.49Å
109E95.6Very high95.9Very high144 Ų14452.4 Ų52.467%0.67328%0.278SS*.  trans-104.7145.3177.2-60-173.7177.400110.6T107 W138T107-E109 HydrophobicContact CG2-CG 4.28Å; E109-W138 WeakPolarHBondContact O-CH2 3.31Å
110G92.5Very high95.9Very high42 Ų4253 Ų5343%0.43328%0.283SS..  trans143.2-5.7171.500000116.6K136G110-K136 WeakPolarHBondContact O-CE 3.37Å; G110-K136 PolarHBondContact O-NZ 3.16Å; G110-K136 VanDerWaalsContact O-NZ 3.13Å
111H97.3Very high95.9Very high13 Ų1348.7 Ų48.76%0.0626%0.263CS..  trans-77.8154.9159.2-85.9-62.1000110.5V115 S128 S130 D132 T134 K136H111-V115 HydrophobicContact CB-CG2 3.98Å; H111-S128 PolarHBondContact CD2-OG 3.38Å; H111-S128 PolarHBondContact NE2-OG 3.1Å; H111-S130 WeakPolarHBondContact CE1-CB 3.15Å; H111-S130 WeakPolarHBondContact ND1-CB 3.49Å; H111-D132 VanDerWaalsContact CA-OD2 3.3Å; H111-D132 WeakPolarHBondContact CA-OD2 3.44Å; H111-D132 IonicContact CE1-OD1 2.75Å; H111-D132 IonicContact CE1-OD2 3.83Å; H111-D132 IonicContact CG-OD2 3.28Å; H111-D132 IonicContact ND1-OD1 2.72Å; H111-D132 PolarHBondContact ND1-OD1 2.83Å; H111-D132 IonicContact ND1-OD2 3.71Å; H111-D132 PolarHBondContact ND1-OD2 3.2Å; H111-T134 PolarHBondContact CE1-OG1 3.04Å; H111-T134 PolarHBondContact ND1-OG1 2.79Å; H111-K136 VanDerWaalsContact ND1-CE 3.32Å; H111-K136 WeakPolarHBondContact ND1-CE 3.45Å
112K96.2Very high95.3Very high179 Ų17947.5 Ų47.578%0.77826%0.256SS*.SBendtrans-107.1-3.3-177.4-61.5-178.5-179.8178.40113.9D132K112-D132 HydrophobicContact CB-CB 3.97Å; K112-D132 PolarHBondContact N-OD2 3.17Å
113N97.4Very high94.4Very high63 Ų6347.9 Ų47.934%0.33725%0.251SS..SBendtrans-153.7171.5178.5-155-30.4000108.6N92 V115 S130 W131 D132N92-N113 WeakPolarHBondContact OD1-CA 3.42Å; N92-N113 PolarHBondContact OD1-N 2.73Å; N92-N113 PolarHBondContact OD1-O 2.97Å; N113-V115 PolarHBondContact O-N 3.18Å; N113-S130 PolarHBondContact O-OG 3.41Å; N113-W131 HydrophobicContact CB-CB 3.88Å; N113-D132 HydrophobicContact CB-CB 4.02Å
114T97.5Very high93.7Very high2 Ų244 Ų441%0.01224%0.239CC..  trans-33.4125.3-179.5-59.30000113.4G89 N90 N92 C116 S130 W131G89-T114 WeakPolarHBondContact O-CA 3.34Å; N90-T114 HydrophobicContact CB-CG2 4.38Å; N90-T114 PolarHBondContact ND2-OG1 3.17Å; N92-T114 PolarHBondContact OD1-N 2.88Å; N92-T114 VanDerWaalsContact OD1-N 3.11Å; T114-C116 HydrophobicContact CG2-CB 4.11Å; T114-S130 WeakPolarHBondContact O-CA 3.45Å; T114-S130 WeakPolarHBondContact O-CB 3.42Å; T114-S130 PolarHBondContact O-OG 2.98Å; T114-S130 VanDerWaalsContact O-OG 3.09Å; T114-W131 HydrophobicContact CG2-CD2 4.38Å; T114-W131 PolarHBondContact O-N 2.94Å
115V98.6Very high93.3Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-86.9108.6167.7-175.20000107.8C70 G88 G89 N92 I94 H111 N113 L118C70-V115 PolarHBondContact SG-O 3.49Å; G88-V115 CarbonylContact C-O 3.51Å; G88-V115 VanDerWaalsContact C-O 3.27Å; G89-V115 PolarHBondContact O-N 3.32Å; N92-V115 WeakPolarHBondContact O-CG2 3.37Å; I94-V115 HydrophobicContact CD1-CG1 4.39Å; I94-V115 HydrophobicContact CG1-CB 4.45Å; I94-V115 HydrophobicContact CG1-CG1 3.99Å; I94-V115 HydrophobicContact CG1-CG2 4.19Å; H111-V115 HydrophobicContact CB-CG2 3.98Å; N113-V115 PolarHBondContact O-N 3.18Å; V115-L118 HydrophobicContact CG1-CD2 4.14Å; V115-L118 HydrophobicContact CG1-CG 4.43Å
116C96.6Very high93.2Very high12 Ų1239.4 Ų39.48%0.08121%0.212CC..EExtended strand (participates in β ladder)trans-110.8-5.4-168.268.90000114.3C70 T114 G129 W131 V154C70-C116 WeakPolarHBondContact CB-O 3.19Å; T114-C116 HydrophobicContact CG2-CB 4.11Å; C116-G129 PolarHBondContact N-O 3.31Å; C116-W131 VanDerWaalsContact SG-CD1 3.57Å; C116-V154 PolarHBondContact SG-O 3.26Å
117T98.5Very high93.4Very high21 Ų2138 Ų3813%0.12921%0.207CC..EExtended strand (participates in β ladder)trans-153.3145.1177.5-175.90000111C70 S128 G129 W155 V157C70-T117 PolarHBondContact SG-N 3.18Å; T117-S128 WeakPolarHBondContact O-CA 3.4Å; T117-G129 PolarHBondContact N-O 2.91Å; T117-G129 PolarHBondContact O-N 2.84Å; T117-W155 WeakPolarHBondContact CB-O 3.48Å; T117-V157 HydrophobicContact CG2-CB 4.25Å; T117-V157 HydrophobicContact CG2-CG1 3.87Å; T117-V157 HydrophobicContact CG2-CG2 3.84Å; T117-V157 PolarHBondContact OG1-N 3.1Å
118L98.4Very high93.4Very high15 Ų1535.6 Ų35.68%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-141.3146-178.9-72172.9000110.4C72 A86 I94 V115 L126 L127C72-L118 HydrophobicContact CB-CB 4.19Å; A86-L118 HydrophobicContact CB-CD1 4.33Å; A86-L118 WeakPolarHBondContact O-CD1 3.48Å; I94-L118 HydrophobicContact CD1-CD2 3.88Å; I94-L118 HydrophobicContact CG1-CD2 4.17Å; I94-L118 HydrophobicContact CG2-CD1 4.16Å; I94-L118 HydrophobicContact CG2-CD2 4.31Å; V115-L118 HydrophobicContact CG1-CD2 4.14Å; V115-L118 HydrophobicContact CG1-CG 4.43Å; L118-L126 HydrophobicContact CD2-CD1 4.24Å; L118-L126 HydrophobicContact CD2-CD2 4.13Å; L118-L126 HydrophobicContact CD2-CG 4.23Å; L118-L127 CarbonylContact C-O 3.55Å; L118-L127 WeakPolarHBondContact CA-O 3.28Å
119S96.6Very high93.5Very high18 Ų1835.4 Ų35.413%0.12619%0.191CC..EExtended strand (participates in β ladder)trans-145.5131.6172.7179.70000109.8L127 I159S119-L127 PolarHBondContact N-O 3.22Å; S119-L127 PolarHBondContact O-N 3.25Å; S119-I159 WeakPolarHBondContact O-CD1 3.28Å; S119-I159 PolarHBondContact OG-N 2.8Å
120S92.9Very high93.7Very high31 Ų3128.5 Ų28.522%0.21716%0.159CC..EExtended strand (participates in β ladder)trans-99148.4176.6-169.60000111.7V73 I74 T125V73-S120 WeakPolarHBondContact O-CB 3.26Å; I74-S120 WeakPolarHBondContact CA-OG 3.12Å; S120-T125 WeakPolarHBondContact CA-O 3.24Å; S120-T125 PolarHBondContact OG-O 3.48Å
121G87.8Confident93.9Very high12 Ų1231.3 Ų31.312%0.12416%0.156CC..  trans-126.4-166.3175.900000111.8T125G121-T125 PolarHBondContact N-O 2.94Å
122K81.6Confident93.9Very high88 Ų8832 Ų3238%0.38316%0.16SC..G310 helixtrans-65157.2178.8-62.4-177.9178.9-179.90111.8G124 T125 P161 E162K122-G124 VanDerWaalsContact C-N 3.28Å; K122-G124 PolarHBondContact O-N 2.99Å; K122-T125 VanDerWaalsContact O-CB 3.29Å; K122-T125 WeakPolarHBondContact O-CB 3.37Å; K122-T125 PolarHBondContact O-N 3.18Å; K122-T125 PolarHBondContact O-OG1 3.42Å; K122-P161 HydrophobicContact CG-CB 4.26Å; K122-E162 VanDerWaalsContact CE-OE1 3.28Å; K122-E162 WeakPolarHBondContact CE-OE1 3.43Å; K122-E162 IonicContact NZ-OE1 2.73Å; K122-E162 PolarHBondContact NZ-OE1 2.61Å; K122-E162 IonicContact NZ-OE2 2.71Å; K122-E162 PolarHBondContact NZ-OE2 2.72Å
123F76.6Confident94Very high74 Ų7426 Ų2633%0.32514%0.139SC..G310 helixtrans59.825.6173.6-46.1-72.8000115.9T125 L139 T760 D763F123-T125 VanDerWaalsContact C-N 3.28Å; F123-T125 PolarHBondContact O-N 3.22Å; F123-L139 WeakPolarHBondContact O-CD1 3.29Å; F123-T760 HydrophobicContact CD1-CG2 4.32Å; F123-T760 HydrophobicContact CE1-CG2 4.23Å; F123-D763 HydrophobicContact CE1-CB 4.41Å; F123-D763 HydrophobicContact CE2-CB 3.56Å; F123-D763 HydrophobicContact CZ-CB 3.38Å
124G80.4Confident94Very high19 Ų1923.6 Ų23.620%0.19613%0.127CC..G310 helixtrans76.514.3-175.900000114K122K122-G124 VanDerWaalsContact C-N 3.28Å; K122-G124 PolarHBondContact O-N 2.99Å
125T88.7Confident94.1Very high5 Ų523.6 Ų23.63%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-65.2135.1172-50.10000109.6S120 G121 K122 F123 V137 W138 I159S120-T125 WeakPolarHBondContact CA-O 3.24Å; S120-T125 PolarHBondContact OG-O 3.48Å; G121-T125 PolarHBondContact N-O 2.94Å; K122-T125 VanDerWaalsContact O-CB 3.29Å; K122-T125 WeakPolarHBondContact O-CB 3.37Å; K122-T125 PolarHBondContact O-N 3.18Å; K122-T125 PolarHBondContact O-OG1 3.42Å; F123-T125 VanDerWaalsContact C-N 3.28Å; F123-T125 PolarHBondContact O-N 3.22Å; T125-V137 HydrophobicContact CG2-CG1 3.85Å; T125-W138 WeakPolarHBondContact CA-O 3.36Å; T125-I159 HydrophobicContact CG2-CD1 4.33Å
126L95.5Very high94Very high4 Ų424.6 Ų24.62%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-128.4138.6175.3-176.672.1000109.4C72 A86 I94 L108 L118 V137 W138C72-L126 WeakPolarHBondContact SG-CD1 3.43Å; A86-L126 HydrophobicContact CB-CD1 4.21Å; A86-L126 HydrophobicContact CB-CD2 4.14Å; I94-L126 HydrophobicContact CD1-CD2 4.27Å; I94-L126 HydrophobicContact CG2-CD2 3.98Å; L108-L126 HydrophobicContact CD1-CD2 3.83Å; L118-L126 HydrophobicContact CD2-CD1 4.24Å; L118-L126 HydrophobicContact CD2-CD2 4.13Å; L118-L126 HydrophobicContact CD2-CG 4.23Å; L126-V137 CarbonylContact O-C 3.59Å; L126-V137 WeakPolarHBondContact O-CA 3.4Å; L126-W138 HydrophobicContact CB-CB 4.23Å; L126-W138 PolarHBondContact N-O 3.45Å; L126-W138 PolarHBondContact O-N 2.95Å
127L97.6Very high93.9Very high1 Ų124 Ų241%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-116.6126.7173.1175.466000108.2L118 S119 A135 K136 V137 L147 V157 I159 M166L118-L127 CarbonylContact C-O 3.55Å; L118-L127 WeakPolarHBondContact CA-O 3.28Å; S119-L127 PolarHBondContact N-O 3.22Å; S119-L127 PolarHBondContact O-N 3.25Å; L127-A135 HydrophobicContact CD1-CB 4.19Å; L127-K136 CarbonylContact C-O 3.44Å; L127-K136 WeakPolarHBondContact CA-O 3.48Å; L127-V137 HydrophobicContact CD1-CG2 4.06Å; L127-L147 HydrophobicContact CD1-CD1 3.86Å; L127-V157 HydrophobicContact CD2-CB 3.73Å; L127-V157 HydrophobicContact CD2-CG1 4.41Å; L127-V157 HydrophobicContact CD2-CG2 4.25Å; L127-V157 HydrophobicContact CG-CB 3.79Å; L127-V157 HydrophobicContact CG-CG1 4.22Å; L127-V157 HydrophobicContact CG-CG2 3.95Å; L127-V157 WeakPolarHBondContact O-CG2 3.49Å; L127-I159 HydrophobicContact CB-CD1 3.72Å; L127-I159 HydrophobicContact CB-CG1 3.71Å; L127-I159 HydrophobicContact CD2-CG1 3.81Å; L127-I159 HydrophobicContact CG-CG1 4.44Å; L127-M166 HydrophobicContact CD1-SD 4.29Å; L127-M166 HydrophobicContact CD2-CB 3.84Å; L127-M166 HydrophobicContact CD2-CG 4.12Å
128S98.7Very high93.6Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-117.2148.8176.661.90000111.8H111 T117 A135 K136 W138H111-S128 PolarHBondContact CD2-OG 3.38Å; H111-S128 PolarHBondContact NE2-OG 3.1Å; T117-S128 WeakPolarHBondContact O-CA 3.4Å; S128-A135 CarbonylContact O-C 3.57Å; S128-A135 WeakPolarHBondContact O-CA 3.36Å; S128-A135 WeakPolarHBondContact O-CB 3.43Å; S128-K136 PolarHBondContact N-O 3Å; S128-K136 PolarHBondContact O-N 2.82Å; S128-K136 PolarHBondContact OG-O 3.48Å; S128-W138 PolarHBondContact OG-NE1 3.23Å
129G98.7Very high93.1Very high0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-122.9137.3170.500000111.3C116 T117 V154C116-G129 PolarHBondContact N-O 3.31Å; T117-G129 PolarHBondContact N-O 2.91Å; T117-G129 PolarHBondContact O-N 2.84Å; G129-V154 CarbonylContact C-O 3.56Å
130S98.8Very high92.3Very high0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-130.1158.6-173.2171.70000113.1H111 N113 T114 D132 T133 T134 V154H111-S130 WeakPolarHBondContact CE1-CB 3.15Å; H111-S130 WeakPolarHBondContact ND1-CB 3.49Å; N113-S130 PolarHBondContact O-OG 3.41Å; T114-S130 WeakPolarHBondContact O-CA 3.45Å; T114-S130 WeakPolarHBondContact O-CB 3.42Å; T114-S130 PolarHBondContact O-OG 2.98Å; T114-S130 VanDerWaalsContact O-OG 3.09Å; S130-D132 WeakPolarHBondContact CB-OD1 3.26Å; S130-D132 PolarHBondContact O-N 3.35Å; S130-D132 VanDerWaalsContact OG-CG 3.28Å; S130-D132 PolarHBondContact OG-N 3.4Å; S130-D132 PolarHBondContact OG-OD1 2.94Å; S130-T133 PolarHBondContact O-N 3Å; S130-T134 PolarHBondContact N-O 3.42Å; S130-T134 VanDerWaalsContact N-O 3.14Å; S130-V154 PolarHBondContact N-O 3.43Å; S130-V154 PolarHBondContact O-N 3.27Å
131W97.9Very high92Very high100 Ų10029.1 Ų29.138%0.37915%0.145SC..THydrogen-bonded Turntrans-65.2-9.1167.6-68.812.7000113.6N113 T114 C116 T133 A153 W155N113-W131 HydrophobicContact CB-CB 3.88Å; T114-W131 HydrophobicContact CG2-CD2 4.38Å; T114-W131 PolarHBondContact O-N 2.94Å; C116-W131 VanDerWaalsContact SG-CD1 3.57Å; W131-T133 PolarHBondContact O-N 3.17Å; W131-T133 VanDerWaalsContact O-N 3.15Å; W131-A153 HydrophobicContact CB-CB 4.2Å; W131-A153 HydrophobicContact CG-CB 4.09Å; W131-W155 AromaticContact CE2-CH2 3.92Å; W131-W155 AromaticContact CE2-CZ2 3.85Å; W131-W155 AromaticContact CZ2-CH2 3.54Å; W131-W155 HydrophobicContact CZ2-CH2 3.54Å; W131-W155 AromaticContact CZ2-CZ2 3.82Å; W131-W155 HydrophobicContact CZ2-CZ2 3.82Å; W131-W155 HydrophobicContact CZ2-CZ3 4.3Å; W131-W155 AromaticContact NE1-CE2 3.8Å; W131-W155 AromaticContact NE1-CH2 3.82Å; W131-W155 AromaticContact NE1-CZ2 3.64Å
132D97.4Very high91.6Very high27 Ų2731 Ų3114%0.14415%0.15CC..THydrogen-bonded Turntrans-76.514.1172.875.29.6000114.8H111 K112 N113 S130 T134H111-D132 VanDerWaalsContact CA-OD2 3.3Å; H111-D132 WeakPolarHBondContact CA-OD2 3.44Å; H111-D132 IonicContact CE1-OD1 2.75Å; H111-D132 IonicContact CE1-OD2 3.83Å; H111-D132 IonicContact CG-OD2 3.28Å; H111-D132 IonicContact ND1-OD1 2.72Å; H111-D132 PolarHBondContact ND1-OD1 2.83Å; H111-D132 IonicContact ND1-OD2 3.71Å; H111-D132 PolarHBondContact ND1-OD2 3.2Å; K112-D132 HydrophobicContact CB-CB 3.97Å; K112-D132 PolarHBondContact N-OD2 3.17Å; N113-D132 HydrophobicContact CB-CB 4.02Å; S130-D132 WeakPolarHBondContact CB-OD1 3.26Å; S130-D132 PolarHBondContact O-N 3.35Å; S130-D132 VanDerWaalsContact OG-CG 3.28Å; S130-D132 PolarHBondContact OG-N 3.4Å; S130-D132 PolarHBondContact OG-OD1 2.94Å; D132-T134 PolarHBondContact O-N 2.84Å; D132-T134 WeakPolarHBondContact OD1-CB 3.31Å; D132-T134 PolarHBondContact OD1-N 3.45Å; D132-T134 PolarHBondContact OD1-OG1 3.35Å
133T98Very high91.9Very high53 Ų5329.4 Ų29.433%0.32515%0.15SC..SBendtrans62.111.4-176.791.80000115.4S130 W131 H150 A152S130-T133 PolarHBondContact O-N 3Å; W131-T133 PolarHBondContact O-N 3.17Å; W131-T133 VanDerWaalsContact O-N 3.15Å; T133-H150 PolarHBondContact OG1-O 3.19Å; T133-A152 WeakPolarHBondContact CA-O 3.2Å; T133-A152 WeakPolarHBondContact CB-O 3.28Å
134T97.6Very high92.2Very high14 Ų1426.7 Ų26.79%0.08614%0.138CC..EExtended strand (participates in β ladder)trans-113.1155.3175.376.20000112.7H111 S130 D132 T146 Q148H111-T134 PolarHBondContact CE1-OG1 3.04Å; H111-T134 PolarHBondContact ND1-OG1 2.79Å; S130-T134 PolarHBondContact N-O 3.42Å; S130-T134 VanDerWaalsContact N-O 3.14Å; D132-T134 PolarHBondContact O-N 2.84Å; D132-T134 WeakPolarHBondContact OD1-CB 3.31Å; D132-T134 PolarHBondContact OD1-N 3.45Å; D132-T134 PolarHBondContact OD1-OG1 3.35Å; T134-T146 HydrophobicContact CG2-CG2 3.96Å; T134-Q148 HydrophobicContact CG2-CG 4.06Å
135A98.5Very high92.4Very high2 Ų227.4 Ų27.42%0.01714%0.137CC..EExtended strand (participates in β ladder)trans-107.4153.715600000109.5L127 S128 L147 V154 V157L127-A135 HydrophobicContact CD1-CB 4.19Å; S128-A135 CarbonylContact O-C 3.57Å; S128-A135 WeakPolarHBondContact O-CA 3.36Å; S128-A135 WeakPolarHBondContact O-CB 3.43Å; A135-L147 HydrophobicContact CB-CB 4.1Å; A135-L147 HydrophobicContact CB-CD1 4.04Å; A135-L147 HydrophobicContact CB-CG 4.42Å; A135-L147 PolarHBondContact N-O 3.01Å; A135-L147 WeakPolarHBondContact O-CB 2.97Å; A135-L147 PolarHBondContact O-N 2.76Å; A135-V154 HydrophobicContact CB-CG1 4.42Å; A135-V157 HydrophobicContact CB-CG1 4.24Å
136K97Very high92.4Very high21 Ų2129.5 Ų29.59%0.09115%0.15CC..EExtended strand (participates in β ladder)trans-131.2141.3178.7-70.2173.5-169.8-84.10111G110 H111 L127 S128 W138 M145 T146G110-K136 WeakPolarHBondContact O-CE 3.37Å; G110-K136 PolarHBondContact O-NZ 3.16Å; G110-K136 VanDerWaalsContact O-NZ 3.13Å; H111-K136 VanDerWaalsContact ND1-CE 3.32Å; H111-K136 WeakPolarHBondContact ND1-CE 3.45Å; L127-K136 CarbonylContact C-O 3.44Å; L127-K136 WeakPolarHBondContact CA-O 3.48Å; S128-K136 PolarHBondContact N-O 3Å; S128-K136 PolarHBondContact O-N 2.82Å; S128-K136 PolarHBondContact OG-O 3.48Å; K136-W138 HydrophobicContact CB-CZ2 3.8Å; K136-W138 HydrophobicContact CD-CH2 4.06Å; K136-W138 HydrophobicContact CD-CZ2 3.56Å; K136-W138 HydrophobicContact CG-CZ2 4.32Å; K136-W138 PolarHBondContact O-NE1 2.83Å; K136-M145 WeakPolarHBondContact CA-O 3.28Å; K136-T146 HydrophobicContact CG-CG2 4.09Å; K136-T146 PolarHBondContact NZ-OG1 2.95Å
137V94.2Very high92.3Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-104.9125.1175.4-170.50000107.6T125 L126 L127 M144 M145 L147 M166T125-V137 HydrophobicContact CG2-CG1 3.85Å; L126-V137 CarbonylContact O-C 3.59Å; L126-V137 WeakPolarHBondContact O-CA 3.4Å; L127-V137 HydrophobicContact CD1-CG2 4.06Å; V137-M144 PolarHBondContact O-N 2.9Å; V137-M145 HydrophobicContact CB-CB 4.1Å; V137-M145 HydrophobicContact CB-CE 4.02Å; V137-M145 HydrophobicContact CG1-CE 3.96Å; V137-M145 HydrophobicContact CG2-CB 4.09Å; V137-M145 HydrophobicContact CG2-CE 4Å; V137-M145 PolarHBondContact N-O 3.44Å; V137-M145 PolarHBondContact O-N 3.25Å; V137-L147 HydrophobicContact CG2-CD1 4.07Å; V137-L147 HydrophobicContact CG2-CD2 4.31Å; V137-L147 HydrophobicContact CG2-CG 4.23Å; V137-M166 HydrophobicContact CG1-CE 3.83Å; V137-M166 HydrophobicContact CG1-SD 4.36Å; V137-M166 HydrophobicContact CG2-CE 3.97Å; V137-M166 HydrophobicContact CG2-SD 3.42Å; V137-M166 WeakPolarHBondContact CG2-SD 3.46Å
138W93.4Very high92.1Very high4 Ų436.1 Ų36.12%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-117.3151.6-178.9-42.979.8000110.2I94 L108 E109 T125 L126 S128 K136 K142 C143I94-W138 HydrophobicContact CD1-CZ2 4Å; L108-W138 HydrophobicContact CB-CD2 4.27Å; L108-W138 HydrophobicContact CB-CE3 3.81Å; L108-W138 HydrophobicContact CB-CH2 4.14Å; L108-W138 HydrophobicContact CB-CZ3 3.73Å; L108-W138 HydrophobicContact CD1-CB 4.04Å; L108-W138 HydrophobicContact CD1-CD2 3.87Å; L108-W138 HydrophobicContact CD1-CE3 4.02Å; L108-W138 HydrophobicContact CD1-CG 3.87Å; L108-W138 HydrophobicContact CD2-CE3 4.44Å; L108-W138 HydrophobicContact CG-CE3 4.32Å; E109-W138 WeakPolarHBondContact O-CH2 3.31Å; T125-W138 WeakPolarHBondContact CA-O 3.36Å; L126-W138 HydrophobicContact CB-CB 4.23Å; L126-W138 PolarHBondContact N-O 3.45Å; L126-W138 PolarHBondContact O-N 2.95Å; S128-W138 PolarHBondContact OG-NE1 3.23Å; K136-W138 HydrophobicContact CB-CZ2 3.8Å; K136-W138 HydrophobicContact CD-CH2 4.06Å; K136-W138 HydrophobicContact CD-CZ2 3.56Å; K136-W138 HydrophobicContact CG-CZ2 4.32Å; K136-W138 PolarHBondContact O-NE1 2.83Å; W138-K142 CarbonylContact C-O 3.52Å; W138-K142 WeakPolarHBondContact CA-O 3.31Å; W138-C143 HydrophobicContact CD2-CB 4.37Å; W138-C143 HydrophobicContact CE3-CB 3.67Å; W138-C143 HydrophobicContact CH2-CB 4.19Å; W138-C143 HydrophobicContact CZ3-CB 3.57Å
139L86.6Confident91.8Very high4 Ų438.2 Ų38.22%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-136.6119.3167.2-176.272.8000106.7F123 E141 K142 M144 A725 L764F123-L139 WeakPolarHBondContact O-CD1 3.29Å; L139-E141 PolarHBondContact O-N 2.8Å; L139-K142 PolarHBondContact N-O 3.31Å; L139-K142 PolarHBondContact O-N 3.34Å; L139-K142 VanDerWaalsContact O-N 3.08Å; L139-M144 HydrophobicContact CB-CE 4.49Å; L139-M144 HydrophobicContact CB-CG 3.59Å; L139-M144 HydrophobicContact CB-SD 4.05Å; L139-M144 HydrophobicContact CD2-CE 4.31Å; L139-A725 HydrophobicContact CD2-CB 3.31Å; L139-L764 HydrophobicContact CD1-CD1 4.43Å; L139-L764 HydrophobicContact CD2-CD1 4.15Å; L139-L764 HydrophobicContact CD2-CD2 4.35Å
140N80.8Confident91.7Very high57 Ų5738.7 Ų38.731%0.30520%0.204SC..THydrogen-bonded Turntrans49.5-131.9-169.4-58-37.3000109.9L108 K142 D722L108-N140 WeakPolarHBondContact CD2-O 3.38Å; N140-K142 PolarHBondContact O-N 2.57Å; N140-D722 PolarHBondContact ND2-OD1 3.49Å
141E85.6Confident91.6Very high126 Ų12644.4 Ų44.459%0.58924%0.24SC*.THydrogen-bonded Turntrans-765.8-178-68.4174.5-93.200114.9Y106 L108 L139Y106-E141 HydrophobicContact CD1-CG 3.89Å; Y106-E141 HydrophobicContact CD2-CG 3.72Å; Y106-E141 HydrophobicContact CE1-CG 4.29Å; Y106-E141 HydrophobicContact CE2-CG 4.11Å; Y106-E141 HydrophobicContact CG-CG 3.6Å; L108-E141 VanDerWaalsContact CD2-CA 3.5Å; L108-E141 HydrophobicContact CD2-CB 4.49Å; L139-E141 PolarHBondContact O-N 2.8Å
142K80.5Confident91.6Very high51 Ų5141 Ų4122%0.22223%0.233CC..EExtended strand (participates in β ladder)trans-121.5129.9-163.2-71.3168-169.9169.40113.8W138 L139 N140 M144 E683W138-K142 CarbonylContact C-O 3.52Å; W138-K142 WeakPolarHBondContact CA-O 3.31Å; L139-K142 PolarHBondContact N-O 3.31Å; L139-K142 PolarHBondContact O-N 3.34Å; L139-K142 VanDerWaalsContact O-N 3.08Å; N140-K142 PolarHBondContact O-N 2.57Å; K142-M144 HydrophobicContact CB-SD 4.1Å; K142-M144 PolarHBondContact O-N 3.11Å; K142-E683 WeakPolarHBondContact CE-OE1 3.26Å; K142-E683 WeakPolarHBondContact CE-OE2 3.3Å; K142-E683 IonicContact NZ-OE1 2.79Å; K142-E683 IonicContact NZ-OE2 3.21Å; K142-E683 PolarHBondContact NZ-OE2 3.26Å
143C88.1Confident91.5Very high56 Ų5640.5 Ų40.538%0.37823%0.232SC..EExtended strand (participates in β ladder)trans-73.9106.6169.5-173.10000109.8W138W138-C143 HydrophobicContact CD2-CB 4.37Å; W138-C143 HydrophobicContact CE3-CB 3.67Å; W138-C143 HydrophobicContact CH2-CB 4.19Å; W138-C143 HydrophobicContact CZ3-CB 3.57Å
144M82.8Confident91.6Very high17 Ų1738 Ų388%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-85.1-34.8-175.7-57.6-57.2-77.100112.4V137 L139 K142 A725 S729V137-M144 PolarHBondContact O-N 2.9Å; L139-M144 HydrophobicContact CB-CE 4.49Å; L139-M144 HydrophobicContact CB-CG 3.59Å; L139-M144 HydrophobicContact CB-SD 4.05Å; L139-M144 HydrophobicContact CD2-CE 4.31Å; K142-M144 HydrophobicContact CB-SD 4.1Å; K142-M144 PolarHBondContact O-N 3.11Å; M144-A725 HydrophobicContact CE-CB 3.67Å; M144-A725 WeakPolarHBondContact CE-O 3.48Å; M144-S729 PolarHBondContact O-OG 2.74Å; M144-S729 VanDerWaalsContact O-OG 3.13Å
145M84.2Confident91.6Very high33 Ų3340 Ų4016%0.16322%0.223CC..EExtended strand (participates in β ladder)trans-149.5144.7179.3-64.4178.6-85.400110.6K136 V137 L147 M166 G181 L768K136-M145 WeakPolarHBondContact CA-O 3.28Å; V137-M145 HydrophobicContact CB-CB 4.1Å; V137-M145 HydrophobicContact CB-CE 4.02Å; V137-M145 HydrophobicContact CG1-CE 3.96Å; V137-M145 HydrophobicContact CG2-CB 4.09Å; V137-M145 HydrophobicContact CG2-CE 4Å; V137-M145 PolarHBondContact N-O 3.44Å; V137-M145 PolarHBondContact O-N 3.25Å; M145-L147 HydrophobicContact CB-CD2 4.39Å; M145-M166 HydrophobicContact CE-CE 4.37Å; M145-G181 PolarHBondContact SD-N 2.89Å; M145-L768 HydrophobicContact CE-CD2 3.81Å
146T89.2Confident91.6Very high49 Ų4940 Ų4030%0.30122%0.223SC..EExtended strand (participates in β ladder)trans-113.2117.6164.7-62.10000108.6T134 K136 Q148T134-T146 HydrophobicContact CG2-CG2 3.96Å; K136-T146 HydrophobicContact CG-CG2 4.09Å; K136-T146 PolarHBondContact NZ-OG1 2.95Å; T146-Q148 HydrophobicContact CG2-CG 3.9Å; T146-Q148 PolarHBondContact O-N 3.25Å
147L93.4Very high91.6Very high2 Ų239.3 Ų39.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-86.3106-178.7-50.2-179000108.5L127 A135 V137 M145 M166 W178L127-L147 HydrophobicContact CD1-CD1 3.86Å; A135-L147 HydrophobicContact CB-CB 4.1Å; A135-L147 HydrophobicContact CB-CD1 4.04Å; A135-L147 HydrophobicContact CB-CG 4.42Å; A135-L147 PolarHBondContact N-O 3.01Å; A135-L147 WeakPolarHBondContact O-CB 2.97Å; A135-L147 PolarHBondContact O-N 2.76Å; V137-L147 HydrophobicContact CG2-CD1 4.07Å; V137-L147 HydrophobicContact CG2-CD2 4.31Å; V137-L147 HydrophobicContact CG2-CG 4.23Å; M145-L147 HydrophobicContact CB-CD2 4.39Å; L147-M166 HydrophobicContact CD1-SD 4.36Å; L147-W178 HydrophobicContact CB-CD2 3.89Å; L147-W178 HydrophobicContact CB-CE3 3.83Å; L147-W178 HydrophobicContact CB-CH2 4.21Å; L147-W178 HydrophobicContact CB-CZ2 4.24Å; L147-W178 HydrophobicContact CB-CZ3 3.99Å; L147-W178 HydrophobicContact CD1-CB 4.07Å; L147-W178 HydrophobicContact CD1-CD2 4.07Å; L147-W178 HydrophobicContact CD1-CG 3.79Å; L147-W178 HydrophobicContact CD2-CB 4.4Å; L147-W178 HydrophobicContact CD2-CD2 4.38Å; L147-W178 HydrophobicContact CD2-CE3 4.15Å; L147-W178 HydrophobicContact CD2-CG 4.5Å; L147-W178 HydrophobicContact CG-CD2 4.33Å; L147-W178 HydrophobicContact CG-CE3 4.4Å; L147-W178 HydrophobicContact CG-CG 4.49Å
148Q91.9Very high91.7Very high142 Ų14240.1 Ų40.166%0.66423%0.226SC*.EExtended strand (participates in β ladder)trans-111.8136.5-177.7-60.3-173-3.900110.6T134 T146 W178T134-Q148 HydrophobicContact CG2-CG 4.06Å; T146-Q148 HydrophobicContact CG2-CG 3.9Å; T146-Q148 PolarHBondContact O-N 3.25Å; Q148-W178 VanDerWaalsContact O-CH2 3.32Å; Q148-W178 WeakPolarHBondContact O-CH2 3.5Å; Q148-W178 WeakPolarHBondContact O-CZ3 3.13Å
149G92.1Very high91.7Very high44 Ų4440.7 Ų40.745%0.45423%0.229SC..  trans148.5-6.9176.900000116K176G149-K176 WeakPolarHBondContact O-CE 3.5Å; G149-K176 PolarHBondContact O-NZ 2.75Å
150H97.5Very high91.7Very high10 Ų1040.5 Ų40.55%0.04623%0.228CC..  trans-77.3147.2161.2-81.6-64.9000110.4T133 V154 S168 S170 D172 T174 K176T133-H150 PolarHBondContact OG1-O 3.19Å; H150-V154 HydrophobicContact CB-CG2 4.13Å; H150-S168 PolarHBondContact CD2-OG 2.83Å; H150-S168 VanDerWaalsContact CD2-OG 3.27Å; H150-S168 PolarHBondContact NE2-O 3.19Å; H150-S168 PolarHBondContact NE2-OG 3.04Å; H150-S170 WeakPolarHBondContact CE1-CB 3.29Å; H150-S170 WeakPolarHBondContact ND1-CB 3.24Å; H150-D172 WeakPolarHBondContact CA-OD2 3.49Å; H150-D172 WeakPolarHBondContact CB-OD2 3.21Å; H150-D172 IonicContact CE1-OD1 3.53Å; H150-D172 IonicContact CE1-OD2 3.25Å; H150-D172 IonicContact CG-OD2 2.68Å; H150-D172 VanDerWaalsContact ND1-CG 3.31Å; H150-D172 IonicContact ND1-OD1 2.68Å; H150-D172 PolarHBondContact ND1-OD1 3.37Å; H150-D172 IonicContact ND1-OD2 3.85Å; H150-D172 PolarHBondContact ND1-OD2 3.21Å; H150-T174 PolarHBondContact CE1-OG1 3.2Å; H150-T174 PolarHBondContact ND1-OG1 3.25Å; H150-K176 VanDerWaalsContact ND1-CE 3.32Å; H150-K176 WeakPolarHBondContact ND1-CE 3.21Å
151T96.9Very high90.8Very high121 Ų12140.1 Ų40.174%0.74223%0.228SC*.SBendtrans-99.1-2.7-17958.60000113.7D172T151-D172 PolarHBondContact N-OD2 3.33Å; T151-D172 WeakPolarHBondContact OG1-CB 3.37Å
152A97Very high89.9Confident28 Ų2839.4 Ų39.423%0.23123%0.225CC..SBendtrans-145.5179174.200000110.8T133 S170 A171 D172T133-A152 WeakPolarHBondContact CA-O 3.2Å; T133-A152 WeakPolarHBondContact CB-O 3.28Å; A152-S170 PolarHBondContact O-OG 2.7Å; A152-S170 VanDerWaalsContact O-OG 3.04Å; A152-A171 HydrophobicContact CB-CB 3.82Å; A152-D172 HydrophobicContact CB-CB 4.14Å
153A97Very high89.1Confident16 Ų1640.4 Ų40.413%0.13223%0.23CC..  trans-46.4137.4-17900000113.5W131 S170 A171W131-A153 HydrophobicContact CB-CB 4.2Å; W131-A153 HydrophobicContact CG-CB 4.09Å; A153-S170 VanDerWaalsContact O-CA 3.26Å; A153-S170 WeakPolarHBondContact O-CA 3.45Å; A153-S170 WeakPolarHBondContact O-CB 3.36Å; A153-S170 PolarHBondContact O-OG 2.84Å; A153-A171 HydrophobicContact CB-CB 4.43Å; A153-A171 PolarHBondContact O-N 3.09Å
154V98.7Very high88.4Confident0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-92.7105.9175.4-179.60000108.9C116 G129 S130 A135 H150 V157C116-V154 PolarHBondContact SG-O 3.26Å; G129-V154 CarbonylContact C-O 3.56Å; S130-V154 PolarHBondContact N-O 3.43Å; S130-V154 PolarHBondContact O-N 3.27Å; A135-V154 HydrophobicContact CB-CG1 4.42Å; H150-V154 HydrophobicContact CB-CG2 4.13Å; V154-V157 HydrophobicContact CG1-CG1 3.79Å
155W97.7Very high88.6Confident56 Ų5637.5 Ų37.521%0.21221%0.212CC..EExtended strand (participates in β ladder)trans-96.1-22.4-170.8-78.488.7000114.4T117 W131 G169 V194T117-W155 WeakPolarHBondContact CB-O 3.48Å; W131-W155 AromaticContact CE2-CH2 3.92Å; W131-W155 AromaticContact CE2-CZ2 3.85Å; W131-W155 AromaticContact CZ2-CH2 3.54Å; W131-W155 HydrophobicContact CZ2-CH2 3.54Å; W131-W155 AromaticContact CZ2-CZ2 3.82Å; W131-W155 HydrophobicContact CZ2-CZ2 3.82Å; W131-W155 HydrophobicContact CZ2-CZ3 4.3Å; W131-W155 AromaticContact NE1-CE2 3.8Å; W131-W155 AromaticContact NE1-CH2 3.82Å; W131-W155 AromaticContact NE1-CZ2 3.64Å; W155-G169 PolarHBondContact N-O 3.35Å; W155-V194 WeakPolarHBondContact CB-O 3.17Å
156A98.3Very high89.1Confident2 Ų236.2 Ų36.22%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-133.6140.3176.600000110.4S168 G169 L197A156-S168 CarbonylContact O-C 3.59Å; A156-S168 VanDerWaalsContact O-CA 3.23Å; A156-S168 WeakPolarHBondContact O-CA 3.42Å; A156-G169 PolarHBondContact N-O 2.9Å; A156-G169 VanDerWaalsContact N-O 3.13Å; A156-G169 PolarHBondContact O-N 2.67Å; A156-L197 HydrophobicContact CB-CB 4.15Å; A156-L197 HydrophobicContact CB-CD1 3.92Å; A156-L197 HydrophobicContact CB-CG 3.74Å
157V98.6Very high89.5Confident8 Ų833.9 Ų33.95%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-137.3148.8168.1-62.60000110.9T117 L127 A135 V154 L167T117-V157 HydrophobicContact CG2-CB 4.25Å; T117-V157 HydrophobicContact CG2-CG1 3.87Å; T117-V157 HydrophobicContact CG2-CG2 3.84Å; T117-V157 PolarHBondContact OG1-N 3.1Å; L127-V157 HydrophobicContact CD2-CB 3.73Å; L127-V157 HydrophobicContact CD2-CG1 4.41Å; L127-V157 HydrophobicContact CD2-CG2 4.25Å; L127-V157 HydrophobicContact CG-CB 3.79Å; L127-V157 HydrophobicContact CG-CG1 4.22Å; L127-V157 HydrophobicContact CG-CG2 3.95Å; L127-V157 WeakPolarHBondContact O-CG2 3.49Å; A135-V157 HydrophobicContact CB-CG1 4.24Å; V154-V157 HydrophobicContact CG1-CG1 3.79Å; V157-L167 CarbonylContact C-O 3.17Å; V157-L167 VanDerWaalsContact CA-O 3.27Å; V157-L167 WeakPolarHBondContact CA-O 3.25Å
158T96.2Very high89.8Confident17 Ų1733.8 Ų33.810%0.10419%0.191CC..EExtended strand (participates in β ladder)trans-151.7149.5167.9-166.70000112.2L167 L197 V199T158-L167 HydrophobicContact CG2-CB 3.93Å; T158-L167 HydrophobicContact CG2-CD1 4.02Å; T158-L167 PolarHBondContact N-O 3.33Å; T158-L167 PolarHBondContact O-N 3.44Å; T158-L197 HydrophobicContact CG2-CB 3.99Å; T158-L197 HydrophobicContact CG2-CD1 4.44Å; T158-V199 HydrophobicContact CG2-CG2 3.78Å
159I92.2Very high90.1Very high16 Ų1627 Ų278%0.08216%0.159CC..EExtended strand (participates in β ladder)trans-99.8136.5177.7-61.1173.4000109.3S119 T125 L127 P161 M166S119-I159 WeakPolarHBondContact O-CD1 3.28Å; S119-I159 PolarHBondContact OG-N 2.8Å; T125-I159 HydrophobicContact CG2-CD1 4.33Å; L127-I159 HydrophobicContact CB-CD1 3.72Å; L127-I159 HydrophobicContact CB-CG1 3.71Å; L127-I159 HydrophobicContact CD2-CG1 3.81Å; L127-I159 HydrophobicContact CG-CG1 4.44Å; I159-P161 HydrophobicContact CG2-CB 4.49Å; I159-P161 VanDerWaalsContact O-CD 3.31Å; I159-P161 WeakPolarHBondContact O-CD 3.32Å; I159-M166 HydrophobicContact CG1-CG 4.4Å
160L87.2Confident90.4Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-101.890.4168.7-66.8172.2000108E162 Q163 L165 L167 L177 V199 V219L160-E162 PolarHBondContact O-N 2.75Å; L160-Q163 PolarHBondContact O-N 2.99Å; L160-L165 HydrophobicContact CB-CB 3.96Å; L160-L165 HydrophobicContact CD1-CB 3.99Å; L160-L165 HydrophobicContact CD1-CD1 4.37Å; L160-L165 PolarHBondContact N-O 3.47Å; L160-L167 HydrophobicContact CD1-CD1 4.03Å; L160-L167 HydrophobicContact CD1-CG 4.44Å; L160-L167 HydrophobicContact CG-CD1 4.36Å; L160-L177 HydrophobicContact CD1-CD1 4.5Å; L160-V199 HydrophobicContact CD2-CB 4.22Å; L160-V199 HydrophobicContact CD2-CG1 3.51Å; L160-V199 HydrophobicContact CD2-CG2 3.62Å; L160-V219 HydrophobicContact CD1-CG1 3.68Å
161P61.6Low90.4Very high49 Ų4925.7 Ų25.732%0.31815%0.145SC..THydrogen-bonded Turntrans-68.2-30-156.725.4-35.6000114.5K122 I159 Q163K122-P161 HydrophobicContact CG-CB 4.26Å; I159-P161 HydrophobicContact CG2-CB 4.49Å; I159-P161 VanDerWaalsContact O-CD 3.31Å; I159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-Q163 VanDerWaalsContact C-N 3.3Å; P161-Q163 PolarHBondContact O-N 3.46Å
162E66.2Low90.5Very high111 Ų11121.2 Ų21.252%0.51912%0.117SC..THydrogen-bonded Turntrans-77.1-12.6-177.7-54.3-53.1153.600114.1K122 L160 N202K122-E162 VanDerWaalsContact CE-OE1 3.28Å; K122-E162 WeakPolarHBondContact CE-OE1 3.43Å; K122-E162 IonicContact NZ-OE1 2.73Å; K122-E162 PolarHBondContact NZ-OE1 2.61Å; K122-E162 IonicContact NZ-OE2 2.71Å; K122-E162 PolarHBondContact NZ-OE2 2.72Å; L160-E162 PolarHBondContact O-N 2.75Å; E162-N202 WeakPolarHBondContact CG-ND2 3.36Å
163Q64.8Low90.5Very high71 Ų7124.3 Ų24.333%0.33213%0.125SC..THydrogen-bonded Turntrans-118.8-1.2-174.6-61.7-170.414.600114.4L160 P161 L165 K179 N202L160-Q163 PolarHBondContact O-N 2.99Å; P161-Q163 VanDerWaalsContact C-N 3.3Å; P161-Q163 PolarHBondContact O-N 3.46Å; Q163-L165 HydrophobicContact CB-CB 4.32Å; Q163-L165 HydrophobicContact CB-CD1 3.89Å; Q163-L165 HydrophobicContact CB-CG 3.85Å; Q163-L165 PolarHBondContact O-N 2.98Å; Q163-K179 WeakPolarHBondContact O-CE 3.11Å; Q163-N202 PolarHBondContact NE2-O 3.32Å
164G72.4Confident90.6Very high2 Ų224.7 Ų24.72%0.02113%0.126CC..THydrogen-bonded Turntrans59.628.7-171.600000112.7R766 S767G164-R766 WeakPolarHBondContact CA-O 3.29Å; G164-S767 WeakPolarHBondContact CA-O 3.38Å
165L88.1Confident90.6Very high11 Ų1124.7 Ų24.76%0.05813%0.126CC..EExtended strand (participates in β ladder)trans-99.7145.9179.5-71.9178.6000109.6L160 Q163 L177 K179L160-L165 HydrophobicContact CB-CB 3.96Å; L160-L165 HydrophobicContact CD1-CB 3.99Å; L160-L165 HydrophobicContact CD1-CD1 4.37Å; L160-L165 PolarHBondContact N-O 3.47Å; Q163-L165 HydrophobicContact CB-CB 4.32Å; Q163-L165 HydrophobicContact CB-CD1 3.89Å; Q163-L165 HydrophobicContact CB-CG 3.85Å; Q163-L165 PolarHBondContact O-N 2.98Å; L165-L177 HydrophobicContact CB-CD1 4.11Å; L165-L177 HydrophobicContact CD1-CD1 4.23Å; L165-L177 HydrophobicContact CD1-CD2 4.4Å; L165-L177 HydrophobicContact CD2-CD1 4.18Å; L165-L177 HydrophobicContact CD2-CD2 4.18Å; L165-L177 HydrophobicContact CD2-CG 4.13Å; L165-L177 HydrophobicContact CG-CD1 4.41Å; L165-K179 HydrophobicContact CD2-CB 3.93Å; L165-K179 HydrophobicContact CD2-CD 3.57Å; L165-K179 HydrophobicContact CD2-CG 3.86Å
166M94.7Very high90.6Very high5 Ų523.2 Ų23.23%0.02512%0.121CC..EExtended strand (participates in β ladder)trans-132.7141.3179.9-62.4165-166.800108.7L127 V137 M145 L147 I159 L177 W178L127-M166 HydrophobicContact CD1-SD 4.29Å; L127-M166 HydrophobicContact CD2-CB 3.84Å; L127-M166 HydrophobicContact CD2-CG 4.12Å; V137-M166 HydrophobicContact CG1-CE 3.83Å; V137-M166 HydrophobicContact CG1-SD 4.36Å; V137-M166 HydrophobicContact CG2-CE 3.97Å; V137-M166 HydrophobicContact CG2-SD 3.42Å; V137-M166 WeakPolarHBondContact CG2-SD 3.46Å; M145-M166 HydrophobicContact CE-CE 4.37Å; L147-M166 HydrophobicContact CD1-SD 4.36Å; I159-M166 HydrophobicContact CG1-CG 4.4Å; M166-L177 CarbonylContact O-C 3.56Å; M166-L177 WeakPolarHBondContact O-CA 3.2Å; M166-W178 HydrophobicContact CB-CB 4.25Å; M166-W178 PolarHBondContact N-O 2.91Å; M166-W178 PolarHBondContact O-N 3Å
167L98Very high90.6Very high0 Ų023.3 Ų23.30%012%0.121CC..EExtended strand (participates in β ladder)trans-115.7143.4177.3-73.5163.3000109.7V157 T158 L160 I175 K176 L177 F187 L197 F205V157-L167 CarbonylContact C-O 3.17Å; V157-L167 VanDerWaalsContact CA-O 3.27Å; V157-L167 WeakPolarHBondContact CA-O 3.25Å; T158-L167 HydrophobicContact CG2-CB 3.93Å; T158-L167 HydrophobicContact CG2-CD1 4.02Å; T158-L167 PolarHBondContact N-O 3.33Å; T158-L167 PolarHBondContact O-N 3.44Å; L160-L167 HydrophobicContact CD1-CD1 4.03Å; L160-L167 HydrophobicContact CD1-CG 4.44Å; L160-L167 HydrophobicContact CG-CD1 4.36Å; L167-I175 HydrophobicContact CD2-CG2 3.99Å; L167-K176 WeakPolarHBondContact CA-O 3.27Å; L167-L177 HydrophobicContact CD2-CB 4.27Å; L167-L177 HydrophobicContact CD2-CD1 3.64Å; L167-L177 HydrophobicContact CG-CD1 4.02Å; L167-F187 HydrophobicContact CD2-CE2 3.76Å; L167-F187 HydrophobicContact CD2-CZ 4.24Å; L167-L197 HydrophobicContact CB-CD1 3.94Å; L167-F205 HydrophobicContact CD1-CB 3.99Å; L167-F205 HydrophobicContact CD1-CD1 3.56Å; L167-F205 HydrophobicContact CD1-CD2 3.87Å; L167-F205 HydrophobicContact CD1-CE1 3.93Å; L167-F205 HydrophobicContact CD1-CE2 4.22Å; L167-F205 HydrophobicContact CD1-CG 3.53Å; L167-F205 HydrophobicContact CD1-CZ 4.24Å; L167-F205 HydrophobicContact CD2-CD1 4.41Å; L167-F205 HydrophobicContact CD2-CE1 3.92Å; L167-F205 HydrophobicContact CD2-CE2 4.33Å; L167-F205 HydrophobicContact CD2-CZ 3.87Å
168S98.7Very high90.4Very high1 Ų123.1 Ų23.11%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-135.7136168.563.10000111.6H150 A156 I175 K176 W178H150-S168 PolarHBondContact CD2-OG 2.83Å; H150-S168 VanDerWaalsContact CD2-OG 3.27Å; H150-S168 PolarHBondContact NE2-O 3.19Å; H150-S168 PolarHBondContact NE2-OG 3.04Å; A156-S168 CarbonylContact O-C 3.59Å; A156-S168 VanDerWaalsContact O-CA 3.23Å; A156-S168 WeakPolarHBondContact O-CA 3.42Å; S168-I175 CarbonylContact O-C 3.6Å; S168-I175 WeakPolarHBondContact O-CA 3.5Å; S168-I175 WeakPolarHBondContact O-CG2 3.46Å; S168-K176 PolarHBondContact N-O 3.46Å; S168-K176 PolarHBondContact O-N 2.81Å; S168-W178 PolarHBondContact OG-NE1 3.48Å
169G98.6Very high89.7Confident0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-109.8142.2172.400000110.4W155 A156W155-G169 PolarHBondContact N-O 3.35Å; A156-G169 PolarHBondContact N-O 2.9Å; A156-G169 VanDerWaalsContact N-O 3.13Å; A156-G169 PolarHBondContact O-N 2.67Å
170S98.8Very high88.8Confident0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-133.9160.8-170.1175.80000113.7H150 A152 A153 D172 K173 T174 V194H150-S170 WeakPolarHBondContact CE1-CB 3.29Å; H150-S170 WeakPolarHBondContact ND1-CB 3.24Å; A152-S170 PolarHBondContact O-OG 2.7Å; A152-S170 VanDerWaalsContact O-OG 3.04Å; A153-S170 VanDerWaalsContact O-CA 3.26Å; A153-S170 WeakPolarHBondContact O-CA 3.45Å; A153-S170 WeakPolarHBondContact O-CB 3.36Å; A153-S170 PolarHBondContact O-OG 2.84Å; S170-D172 WeakPolarHBondContact CB-OD1 3.34Å; S170-D172 PolarHBondContact O-N 3.47Å; S170-D172 PolarHBondContact OG-N 2.93Å; S170-K173 PolarHBondContact O-N 2.82Å; S170-K173 VanDerWaalsContact O-N 3.15Å; S170-T174 PolarHBondContact N-O 3.08Å; S170-T174 VanDerWaalsContact N-O 3.14Å; S170-V194 PolarHBondContact O-N 2.84Å
171A97.6Very high88.3Confident25 Ų2524.9 Ų24.921%0.20713%0.132CC..THydrogen-bonded Turntrans-62-12.2164.300000113.4A152 A153 K173 C193A152-A171 HydrophobicContact CB-CB 3.82Å; A153-A171 HydrophobicContact CB-CB 4.43Å; A153-A171 PolarHBondContact O-N 3.09Å; A171-K173 PolarHBondContact O-N 3.43Å; A171-C193 HydrophobicContact CB-CB 4.33Å
172D97.6Very high89.2Confident27 Ų2725.7 Ų25.714%0.14413%0.129CC..THydrogen-bonded Turntrans-75.78.5169.974.516.7000113.9H150 T151 A152 S170 T174H150-D172 WeakPolarHBondContact CA-OD2 3.49Å; H150-D172 WeakPolarHBondContact CB-OD2 3.21Å; H150-D172 IonicContact CE1-OD1 3.53Å; H150-D172 IonicContact CE1-OD2 3.25Å; H150-D172 IonicContact CG-OD2 2.68Å; H150-D172 VanDerWaalsContact ND1-CG 3.31Å; H150-D172 IonicContact ND1-OD1 2.68Å; H150-D172 PolarHBondContact ND1-OD1 3.37Å; H150-D172 IonicContact ND1-OD2 3.85Å; H150-D172 PolarHBondContact ND1-OD2 3.21Å; T151-D172 PolarHBondContact N-OD2 3.33Å; T151-D172 WeakPolarHBondContact OG1-CB 3.37Å; A152-D172 HydrophobicContact CB-CB 4.14Å; S170-D172 WeakPolarHBondContact CB-OD1 3.34Å; S170-D172 PolarHBondContact O-N 3.47Å; S170-D172 PolarHBondContact OG-N 2.93Å; D172-T174 PolarHBondContact O-N 3.43Å; D172-T174 WeakPolarHBondContact OD1-CB 3.39Å; D172-T174 PolarHBondContact OD1-N 3.49Å; D172-T174 PolarHBondContact OD1-OG1 2.82Å
173K98.1Very high90.4Very high94 Ų9422.9 Ų22.941%0.40912%0.121SC..SBendtrans69.83.6177-41.7179.8170.8-155.10113.8S170 A171 E191S170-K173 PolarHBondContact O-N 2.82Å; S170-K173 VanDerWaalsContact O-N 3.15Å; A171-K173 PolarHBondContact O-N 3.43Å; K173-E191 VanDerWaalsContact CD-O 3.31Å; K173-E191 WeakPolarHBondContact CD-O 3.3Å; K173-E191 WeakPolarHBondContact CE-O 3.49Å; K173-E191 PolarHBondContact NZ-O 2.83Å
174T98.7Very high91.6Very high23 Ų2324.1 Ų24.114%0.14113%0.127CC..  trans-106.7160178.277.10000112.5H150 S170 D172 T186 T188H150-T174 PolarHBondContact CE1-OG1 3.2Å; H150-T174 PolarHBondContact ND1-OG1 3.25Å; S170-T174 PolarHBondContact N-O 3.08Å; S170-T174 VanDerWaalsContact N-O 3.14Å; D172-T174 PolarHBondContact O-N 3.43Å; D172-T174 WeakPolarHBondContact OD1-CB 3.39Å; D172-T174 PolarHBondContact OD1-N 3.49Å; D172-T174 PolarHBondContact OD1-OG1 2.82Å; T174-T186 HydrophobicContact CG2-CG2 3.85Å; T174-T188 HydrophobicContact CG2-CG2 4.35Å
175I98.9Very high92.6Very high1 Ų128.2 Ų28.21%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-111.5145.9163.1-61.1142.5000107.3L167 S168 T186 F187 V194 L197 F205 S207 W217L167-I175 HydrophobicContact CD2-CG2 3.99Å; S168-I175 CarbonylContact O-C 3.6Å; S168-I175 WeakPolarHBondContact O-CA 3.5Å; S168-I175 WeakPolarHBondContact O-CG2 3.46Å; I175-T186 CarbonylContact O-C 3.55Å; I175-T186 WeakPolarHBondContact O-CA 3.43Å; I175-F187 HydrophobicContact CB-CB 4.16Å; I175-F187 HydrophobicContact CB-CD2 3.85Å; I175-F187 HydrophobicContact CB-CG 4.38Å; I175-F187 HydrophobicContact CG2-CD2 3.72Å; I175-F187 HydrophobicContact CG2-CE2 4.15Å; I175-F187 PolarHBondContact N-O 2.87Å; I175-F187 VanDerWaalsContact N-O 3.17Å; I175-F187 WeakPolarHBondContact O-CD2 3.18Å; I175-F187 PolarHBondContact O-N 3.47Å; I175-V194 HydrophobicContact CD1-CG1 4.13Å; I175-V194 HydrophobicContact CD1-CG2 4.41Å; I175-V194 HydrophobicContact CG1-CB 4.38Å; I175-V194 HydrophobicContact CG1-CG1 3.85Å; I175-V194 HydrophobicContact CG1-CG2 4.14Å; I175-L197 HydrophobicContact CD1-CD2 4.4Å; I175-L197 HydrophobicContact CG1-CD2 4.31Å; I175-L197 HydrophobicContact CG2-CD2 4.25Å; I175-F205 HydrophobicContact CD1-CE2 4.3Å; I175-F205 HydrophobicContact CG2-CE2 4.08Å; I175-F205 HydrophobicContact CG2-CZ 4.21Å; I175-S207 WeakPolarHBondContact CD1-OG 3.36Å; I175-W217 HydrophobicContact CD1-CZ2 4.37Å
176K98.6Very high93.1Very high24 Ų2430.4 Ų30.410%0.10416%0.156CC..EExtended strand (participates in β ladder)trans-122.7133.5174.9-70176-167.2-760110.9G149 H150 L167 S168 W178 R185 T186G149-K176 WeakPolarHBondContact O-CE 3.5Å; G149-K176 PolarHBondContact O-NZ 2.75Å; H150-K176 VanDerWaalsContact ND1-CE 3.32Å; H150-K176 WeakPolarHBondContact ND1-CE 3.21Å; L167-K176 WeakPolarHBondContact CA-O 3.27Å; S168-K176 PolarHBondContact N-O 3.46Å; S168-K176 PolarHBondContact O-N 2.81Å; K176-W178 HydrophobicContact CB-CZ2 3.77Å; K176-W178 HydrophobicContact CD-CH2 4.07Å; K176-W178 HydrophobicContact CD-CZ2 3.63Å; K176-W178 HydrophobicContact CG-CZ2 4.31Å; K176-W178 PolarHBondContact O-NE1 2.75Å; K176-R185 CarbonylContact C-O 3.49Å; K176-R185 WeakPolarHBondContact CA-O 3.3Å; K176-T186 HydrophobicContact CG-CG2 4.31Å; K176-T186 PolarHBondContact NZ-OG1 2.76Å
177L97.3Very high93.3Very high5 Ų530.4 Ų30.43%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-89.9128.5166.1-171.469000108.2L160 L165 M166 L167 C183 E184 R185 F187L160-L177 HydrophobicContact CD1-CD1 4.5Å; L165-L177 HydrophobicContact CB-CD1 4.11Å; L165-L177 HydrophobicContact CD1-CD1 4.23Å; L165-L177 HydrophobicContact CD1-CD2 4.4Å; L165-L177 HydrophobicContact CD2-CD1 4.18Å; L165-L177 HydrophobicContact CD2-CD2 4.18Å; L165-L177 HydrophobicContact CD2-CG 4.13Å; L165-L177 HydrophobicContact CG-CD1 4.41Å; M166-L177 CarbonylContact O-C 3.56Å; M166-L177 WeakPolarHBondContact O-CA 3.2Å; L167-L177 HydrophobicContact CD2-CB 4.27Å; L167-L177 HydrophobicContact CD2-CD1 3.64Å; L167-L177 HydrophobicContact CG-CD1 4.02Å; L177-C183 CarbonylContact O-C 3.58Å; L177-C183 WeakPolarHBondContact O-CA 3.31Å; L177-E184 HydrophobicContact CD2-CB 4.44Å; L177-E184 PolarHBondContact O-N 2.97Å; L177-R185 HydrophobicContact CB-CB 3.91Å; L177-R185 HydrophobicContact CD2-CB 4.46Å; L177-R185 PolarHBondContact N-O 3.24Å; L177-R185 PolarHBondContact O-N 3.4Å; L177-F187 HydrophobicContact CB-CE2 3.84Å; L177-F187 HydrophobicContact CB-CZ 4.18Å
178W93.8Very high93.3Very high3 Ų335.4 Ų35.41%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-116.9147.7178.4-49.585.4000111.7L147 Q148 M166 S168 K176 R182 C183L147-W178 HydrophobicContact CB-CD2 3.89Å; L147-W178 HydrophobicContact CB-CE3 3.83Å; L147-W178 HydrophobicContact CB-CH2 4.21Å; L147-W178 HydrophobicContact CB-CZ2 4.24Å; L147-W178 HydrophobicContact CB-CZ3 3.99Å; L147-W178 HydrophobicContact CD1-CB 4.07Å; L147-W178 HydrophobicContact CD1-CD2 4.07Å; L147-W178 HydrophobicContact CD1-CG 3.79Å; L147-W178 HydrophobicContact CD2-CB 4.4Å; L147-W178 HydrophobicContact CD2-CD2 4.38Å; L147-W178 HydrophobicContact CD2-CE3 4.15Å; L147-W178 HydrophobicContact CD2-CG 4.5Å; L147-W178 HydrophobicContact CG-CD2 4.33Å; L147-W178 HydrophobicContact CG-CE3 4.4Å; L147-W178 HydrophobicContact CG-CG 4.49Å; Q148-W178 VanDerWaalsContact O-CH2 3.32Å; Q148-W178 WeakPolarHBondContact O-CH2 3.5Å; Q148-W178 WeakPolarHBondContact O-CZ3 3.13Å; M166-W178 HydrophobicContact CB-CB 4.25Å; M166-W178 PolarHBondContact N-O 2.91Å; M166-W178 PolarHBondContact O-N 3Å; S168-W178 PolarHBondContact OG-NE1 3.48Å; K176-W178 HydrophobicContact CB-CZ2 3.77Å; K176-W178 HydrophobicContact CD-CH2 4.07Å; K176-W178 HydrophobicContact CD-CZ2 3.63Å; K176-W178 HydrophobicContact CG-CZ2 4.31Å; K176-W178 PolarHBondContact O-NE1 2.75Å; W178-R182 CarbonylContact C-O 3.57Å; W178-R182 WeakPolarHBondContact CA-O 3.42Å; W178-C183 HydrophobicContact CD2-CB 4.46Å; W178-C183 HydrophobicContact CE3-CB 3.89Å; W178-C183 HydrophobicContact CH2-CB 4.13Å; W178-C183 HydrophobicContact CZ3-CB 3.7Å
179K82.8Confident93Very high44 Ų4436.8 Ų36.819%0.19120%0.201CC..EExtended strand (participates in β ladder)trans-148.5127.2172-157.1169.2-157.6-178.70109.4Q163 L165 G181 R182 E184 S772Q163-K179 WeakPolarHBondContact O-CE 3.11Å; L165-K179 HydrophobicContact CD2-CB 3.93Å; L165-K179 HydrophobicContact CD2-CD 3.57Å; L165-K179 HydrophobicContact CD2-CG 3.86Å; K179-G181 VanDerWaalsContact C-N 3.28Å; K179-G181 PolarHBondContact O-N 2.8Å; K179-R182 PolarHBondContact N-O 2.93Å; K179-R182 PolarHBondContact O-N 3.48Å; K179-E184 HydrophobicContact CB-CG 3.55Å; K179-S772 WeakPolarHBondContact CD-OG 3.48Å; K179-S772 WeakPolarHBondContact CE-OG 3.48Å; K179-S772 PolarHBondContact NZ-OG 2.88Å
180A71.6Confident92.9Very high7 Ų737.5 Ų37.56%0.05820%0.204CC..THydrogen-bonded Turntrans4549.1-179.400000114.1R182 L768 Q773A180-R182 VanDerWaalsContact C-N 3.28Å; A180-R182 PolarHBondContact O-N 2.86Å; A180-L768 VanDerWaalsContact CA-O 3.3Å; A180-L768 WeakPolarHBondContact CA-O 3.06Å; A180-L768 WeakPolarHBondContact CB-O 3.31Å; A180-Q773 HydrophobicContact CB-CB 3.76Å; A180-Q773 HydrophobicContact CB-CG 3.96Å
181G78.1Confident92.7Very high20 Ų2044.5 Ų44.521%0.20624%0.237CC..THydrogen-bonded Turntrans85-17.6179.400000115.7M145 K179M145-G181 PolarHBondContact SD-N 2.89Å; K179-G181 VanDerWaalsContact C-N 3.28Å; K179-G181 PolarHBondContact O-N 2.8Å
182R79.9Confident92.6Very high65 Ų6545.4 Ų45.425%0.24524%0.238CC..EExtended strand (participates in β ladder)trans-99.7144.2-172.1-59.6-177.5-174.3148.710.9112.4W178 K179 A180 E184 E736W178-R182 CarbonylContact C-O 3.57Å; W178-R182 WeakPolarHBondContact CA-O 3.42Å; K179-R182 PolarHBondContact N-O 2.93Å; K179-R182 PolarHBondContact O-N 3.48Å; A180-R182 VanDerWaalsContact C-N 3.28Å; A180-R182 PolarHBondContact O-N 2.86Å; R182-E184 PolarHBondContact O-N 2.98Å; R182-E736 IonicContact CZ-OE1 2.7Å; R182-E736 IonicContact NE-OE1 2.84Å; R182-E736 PolarHBondContact NE-OE1 3.12Å; R182-E736 IonicContact NH2-OE1 2.6Å; R182-E736 PolarHBondContact NH2-OE1 2.98Å
183C91.5Very high92.5Very high53 Ų5345.2 Ų45.236%0.35824%0.238SC..EExtended strand (participates in β ladder)trans-77.8105.7168.7-177.10000109.2L177 W178 R185L177-C183 CarbonylContact O-C 3.58Å; L177-C183 WeakPolarHBondContact O-CA 3.31Å; W178-C183 HydrophobicContact CD2-CB 4.46Å; W178-C183 HydrophobicContact CE3-CB 3.89Å; W178-C183 HydrophobicContact CH2-CB 4.13Å; W178-C183 HydrophobicContact CZ3-CB 3.7Å; C183-R185 PolarHBondContact SG-O 3.17Å
184E89.6Confident92.6Very high97 Ų9740.7 Ų40.745%0.45322%0.219SC..EExtended strand (participates in β ladder)trans-79.9-27.7177.5-68.5-67.3135.100111.9L177 K179 R182L177-E184 HydrophobicContact CD2-CB 4.44Å; L177-E184 PolarHBondContact O-N 2.97Å; K179-E184 HydrophobicContact CB-CG 3.55Å; R182-E184 PolarHBondContact O-N 2.98Å
185R94.6Very high92.5Very high88 Ų8841 Ų4133%0.33222%0.218SC..EExtended strand (participates in β ladder)trans-155.1144.1-178.5-168.2161.9-70.398.914.2111.3K176 L177 C183 F187 V219 T220K176-R185 CarbonylContact C-O 3.49Å; K176-R185 WeakPolarHBondContact CA-O 3.3Å; L177-R185 HydrophobicContact CB-CB 3.91Å; L177-R185 HydrophobicContact CD2-CB 4.46Å; L177-R185 PolarHBondContact N-O 3.24Å; L177-R185 PolarHBondContact O-N 3.4Å; C183-R185 PolarHBondContact SG-O 3.17Å; R185-F187 HydrophobicContact CG-CE1 4.42Å; R185-F187 HydrophobicContact CG-CE2 4.45Å; R185-F187 HydrophobicContact CG-CZ 4.31Å; R185-V219 PolarHBondContact NH1-O 2.83Å; R185-T220 WeakPolarHBondContact CD-O 3.32Å; R185-T220 PolarHBondContact NE-O 3.49Å
186T98.1Very high92.4Very high56 Ų5641.3 Ų41.334%0.34422%0.221SC..EExtended strand (participates in β ladder)trans-112.4127.3162.3-60.70000107.7T174 I175 K176 T188T174-T186 HydrophobicContact CG2-CG2 3.85Å; I175-T186 CarbonylContact O-C 3.55Å; I175-T186 WeakPolarHBondContact O-CA 3.43Å; K176-T186 HydrophobicContact CG-CG2 4.31Å; K176-T186 PolarHBondContact NZ-OG1 2.76Å; T186-T188 HydrophobicContact CG2-CG2 4.35Å
187F98.5Very high92.4Very high5 Ų541.1 Ų41.12%0.02222%0.221CC..EExtended strand (participates in β ladder)trans-94.8130.9172.8-47.5-103000108.3L167 I175 L177 R185 F205 W217 Q218L167-F187 HydrophobicContact CD2-CE2 3.76Å; L167-F187 HydrophobicContact CD2-CZ 4.24Å; I175-F187 HydrophobicContact CB-CB 4.16Å; I175-F187 HydrophobicContact CB-CD2 3.85Å; I175-F187 HydrophobicContact CB-CG 4.38Å; I175-F187 HydrophobicContact CG2-CD2 3.72Å; I175-F187 HydrophobicContact CG2-CE2 4.15Å; I175-F187 PolarHBondContact N-O 2.87Å; I175-F187 VanDerWaalsContact N-O 3.17Å; I175-F187 WeakPolarHBondContact O-CD2 3.18Å; I175-F187 PolarHBondContact O-N 3.47Å; L177-F187 HydrophobicContact CB-CE2 3.84Å; L177-F187 HydrophobicContact CB-CZ 4.18Å; R185-F187 HydrophobicContact CG-CE1 4.42Å; R185-F187 HydrophobicContact CG-CE2 4.45Å; R185-F187 HydrophobicContact CG-CZ 4.31Å; F187-F205 HydrophobicContact CD1-CZ 4.16Å; F187-F205 HydrophobicContact CD2-CZ 4.17Å; F187-F205 AromaticContact CE1-CE1 3.91Å; F187-F205 HydrophobicContact CE1-CE1 3.91Å; F187-F205 AromaticContact CE1-CZ 3.89Å; F187-F205 HydrophobicContact CE1-CZ 3.89Å; F187-F205 HydrophobicContact CE2-CE1 4.24Å; F187-F205 AromaticContact CE2-CZ 3.89Å; F187-F205 HydrophobicContact CE2-CZ 3.89Å; F187-F205 HydrophobicContact CG-CZ 4.31Å; F187-F205 AromaticContact CZ-CE1 3.72Å; F187-F205 HydrophobicContact CZ-CE1 3.72Å; F187-F205 AromaticContact CZ-CZ 3.76Å; F187-F205 HydrophobicContact CZ-CZ 3.76Å; F187-W217 HydrophobicContact CB-CE3 4.21Å; F187-W217 HydrophobicContact CB-CH2 4.24Å; F187-W217 HydrophobicContact CB-CZ3 4.02Å; F187-W217 HydrophobicContact CD1-CD2 4.34Å; F187-W217 AromaticContact CD1-CE3 3.87Å; F187-W217 HydrophobicContact CD1-CE3 3.87Å; F187-W217 HydrophobicContact CD1-CZ3 4.39Å; F187-W217 HydrophobicContact CG-CE3 4.45Å; F187-Q218 WeakPolarHBondContact CE1-O 3.39Å
188T97.6Very high92.4Very high106 Ų10641.3 Ų41.365%0.6522%0.223SC*.  trans-123.1138.9-18053.50000109T174 T186T174-T188 HydrophobicContact CG2-CG2 4.35Å; T186-T188 HydrophobicContact CG2-CG2 4.35Å
189G93.4Very high92.4Very high30 Ų3043.3 Ų43.331%0.30924%0.236SC..  trans159.1-27.4176.900000113.3R215G189-R215 PolarHBondContact O-NH1 3.44Å; G189-R215 PolarHBondContact O-NH2 3.09Å
190H96.6Very high92.8Very high14 Ų1442.7 Ų42.77%0.06523%0.234CC..  trans-67.6141.4166.3-81.6-61.8000110.8V194 S207 S209 D211 S213H190-V194 HydrophobicContact CB-CG2 3.96Å; H190-S207 PolarHBondContact CD2-OG 2.7Å; H190-S207 PolarHBondContact NE2-OG 3.26Å; H190-S209 VanDerWaalsContact CE1-CB 3.49Å; H190-S209 WeakPolarHBondContact CE1-CB 3.41Å; H190-S209 WeakPolarHBondContact ND1-CB 3.32Å; H190-D211 WeakPolarHBondContact CA-OD2 3.41Å; H190-D211 WeakPolarHBondContact CB-OD2 3.09Å; H190-D211 IonicContact CE1-OD1 2.7Å; H190-D211 IonicContact CE1-OD2 3.87Å; H190-D211 IonicContact CG-OD2 3.6Å; H190-D211 IonicContact ND1-OD1 3.78Å; H190-D211 PolarHBondContact ND1-OD1 3Å; H190-D211 IonicContact ND1-OD2 3.93Å; H190-D211 PolarHBondContact ND1-OD2 3.37Å; H190-S213 PolarHBondContact CE1-OG 2.94Å; H190-S213 VanDerWaalsContact CE1-OG 3.31Å; H190-S213 PolarHBondContact ND1-OG 3.35Å
191E92.9Very high93.7Very high148 Ų14844.3 Ų44.369%0.69225%0.245SC*.SBendtrans-98.5-7.4-176.4-63.8-176.6-171.900112.4K173 D211K173-E191 VanDerWaalsContact CD-O 3.31Å; K173-E191 WeakPolarHBondContact CD-O 3.3Å; K173-E191 WeakPolarHBondContact CE-O 3.49Å; K173-E191 PolarHBondContact NZ-O 2.83Å; E191-D211 HydrophobicContact CB-CB 4.13Å; E191-D211 PolarHBondContact N-OD2 2.95Å
192D95.8Very high94Very high43 Ų4346.5 Ų46.523%0.2325%0.252CS..SBendtrans-148.7179.5172.5-159.48000111.9V194 S209 N210 D211D192-V194 PolarHBondContact O-N 2.89Å; D192-S209 VanDerWaalsContact C-OG 3.22Å; D192-S209 PolarHBondContact O-OG 3.15Å; D192-N210 HydrophobicContact CB-CB 3.86Å; D192-N210 WeakPolarHBondContact OD2-CB 3.37Å; D192-D211 HydrophobicContact CB-CB 4.1Å
193C97.2Very high94.5Very high23 Ų2346.9 Ų46.916%0.15526%0.262CS..  trans-43.7124.6-174.2-58.90000113.6A171 S209 N210A171-C193 HydrophobicContact CB-CB 4.33Å; C193-S209 CarbonylContact O-C 3.57Å; C193-S209 WeakPolarHBondContact O-CA 3.27Å; C193-S209 WeakPolarHBondContact O-CB 3.23Å; C193-S209 PolarHBondContact O-OG 3.19Å; C193-N210 HydrophobicContact CB-CB 4.33Å; C193-N210 PolarHBondContact O-N 2.83Å
194V98.5Very high94.6Very high0 Ų046.2 Ų46.20%025%0.253CS..EExtended strand (participates in β ladder)trans-82.5123.1175.5-174.30000109.3W155 S170 I175 H190 D192 C208W155-V194 WeakPolarHBondContact CB-O 3.17Å; S170-V194 PolarHBondContact O-N 2.84Å; I175-V194 HydrophobicContact CD1-CG1 4.13Å; I175-V194 HydrophobicContact CD1-CG2 4.41Å; I175-V194 HydrophobicContact CG1-CB 4.38Å; I175-V194 HydrophobicContact CG1-CG1 3.85Å; I175-V194 HydrophobicContact CG1-CG2 4.14Å; H190-V194 HydrophobicContact CB-CG2 3.96Å; D192-V194 PolarHBondContact O-N 2.89Å; V194-C208 WeakPolarHBondContact CG1-O 3.13Å
195R97.5Very high94.9Very high30 Ų3041.6 Ų41.611%0.11323%0.232CC..EExtended strand (participates in β ladder)trans-111.9-27.6-165.5-72.1-59.9-56.4-82-10.7115C208 N210 I234 Y235R195-C208 PolarHBondContact N-O 2.83Å; R195-N210 VanDerWaalsContact CG-OD1 3.28Å; R195-N210 WeakPolarHBondContact CG-OD1 3.42Å; R195-I234 WeakPolarHBondContact CB-O 3.49Å; R195-I234 WeakPolarHBondContact CG-O 3.39Å; R195-Y235 VanDerWaalsContact CZ-CD1 3.42Å
196G97.4Very high95.1Very high7 Ų737.5 Ų37.57%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-141.8152.5179.800000112S207 C208G196-S207 VanDerWaalsContact O-CA 3.29Å; G196-S207 WeakPolarHBondContact O-CA 3.39Å; G196-C208 VanDerWaalsContact CA-SG 3.56Å; G196-C208 PolarHBondContact N-O 2.81Å; G196-C208 PolarHBondContact N-SG 2.99Å; G196-C208 VanDerWaalsContact N-SG 3.4Å; G196-C208 PolarHBondContact O-N 3.49Å
197L98.4Very high95.1Very high20 Ų2034.8 Ų34.811%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-136.9136.4174.1-72.9171.5000108.8A156 T158 L167 I175 F205 L206A156-L197 HydrophobicContact CB-CB 4.15Å; A156-L197 HydrophobicContact CB-CD1 3.92Å; A156-L197 HydrophobicContact CB-CG 3.74Å; T158-L197 HydrophobicContact CG2-CB 3.99Å; T158-L197 HydrophobicContact CG2-CD1 4.44Å; L167-L197 HydrophobicContact CB-CD1 3.94Å; I175-L197 HydrophobicContact CD1-CD2 4.4Å; I175-L197 HydrophobicContact CG1-CD2 4.31Å; I175-L197 HydrophobicContact CG2-CD2 4.25Å; L197-F205 HydrophobicContact CD2-CD2 3.88Å; L197-F205 HydrophobicContact CD2-CE2 3.95Å; L197-L206 WeakPolarHBondContact CA-O 3.22Å
198A96.3Very high95.1Very high8 Ų834.6 Ų34.67%0.06620%0.199CC..EExtended strand (participates in β ladder)trans-137.8140173.700000110.8F205 L206 L237 V239A198-F205 CarbonylContact O-C 3.47Å; A198-F205 VanDerWaalsContact O-CA 3.3Å; A198-F205 WeakPolarHBondContact O-CA 3.25Å; A198-F205 WeakPolarHBondContact O-CB 3.44Å; A198-L206 HydrophobicContact CB-CB 4.48Å; A198-L206 PolarHBondContact N-O 2.86Å; A198-L206 PolarHBondContact O-N 3.34Å; A198-L237 HydrophobicContact CB-CB 3.83Å; A198-V239 HydrophobicContact CB-CG2 3.9Å
199V93.6Very high95.1Very high46 Ų4629.5 Ų29.528%0.27917%0.168SC..EExtended strand (participates in β ladder)trans-87.9128.1-178.2178.10000109.3T158 L160 S201T158-V199 HydrophobicContact CG2-CG2 3.78Å; L160-V199 HydrophobicContact CD2-CB 4.22Å; L160-V199 HydrophobicContact CD2-CG1 3.51Å; L160-V199 HydrophobicContact CD2-CG2 3.62Å; V199-S201 WeakPolarHBondContact CG1-O 3.5Å
200I92Very high95.2Very high31 Ų3129.1 Ų29.116%0.15916%0.158CC..EExtended strand (participates in β ladder)trans-90.9-43.8168.5-61.1167000109E204 L206 R216 V239 Q244I200-E204 HydrophobicContact CB-CB 4.22Å; I200-E204 HydrophobicContact CD1-CB 4.5Å; I200-E204 PolarHBondContact N-O 3.42Å; I200-L206 HydrophobicContact CD1-CD1 4.38Å; I200-L206 HydrophobicContact CD1-CD2 3.98Å; I200-L206 HydrophobicContact CD1-CG 3.78Å; I200-L206 HydrophobicContact CG1-CD1 4.34Å; I200-L206 HydrophobicContact CG1-CG 4.04Å; I200-R216 HydrophobicContact CD1-CG 3.88Å; I200-V239 HydrophobicContact CG1-CG2 4.39Å; I200-Q244 HydrophobicContact CG2-CG 4.16Å
201S89.8Confident95Very high41 Ų4129.8 Ų29.829%0.28716%0.162SC..EExtended strand (participates in β ladder)trans-158177.2-178.476.60000111.2V199 T203 E204V199-S201 WeakPolarHBondContact CG1-O 3.5Å; S201-T203 PolarHBondContact O-N 3.5Å; S201-T203 PolarHBondContact OG-N 2.97Å; S201-T203 VanDerWaalsContact OG-N 3.16Å; S201-T203 PolarHBondContact OG-OG1 3Å; S201-E204 PolarHBondContact N-O 2.81Å; S201-E204 PolarHBondContact O-N 3.19Å; S201-E204 VanDerWaalsContact O-O 3.04Å; S201-E204 PolarHBondContact OG-N 3.33Å
202N85.6Confident94.9Very high66 Ų6624.7 Ų24.735%0.35314%0.142SC..THydrogen-bonded Turntrans-60-12172.8-71.5-41.4000114.4E162 Q163E162-N202 WeakPolarHBondContact CG-ND2 3.36Å; Q163-N202 PolarHBondContact NE2-O 3.32Å
203T89.6Confident94.9Very high73 Ų7322.7 Ų22.745%0.44813%0.131SC..THydrogen-bonded Turntrans-118.3-8.7178.854.50000113.9S201 Q218 V219S201-T203 PolarHBondContact O-N 3.5Å; S201-T203 PolarHBondContact OG-N 2.97Å; S201-T203 VanDerWaalsContact OG-N 3.16Å; S201-T203 PolarHBondContact OG-OG1 3Å; T203-Q218 CarbonylContact O-C 3.58Å; T203-Q218 VanDerWaalsContact O-CA 3.32Å; T203-Q218 WeakPolarHBondContact O-CA 3.3Å; T203-V219 PolarHBondContact O-N 2.98Å
204E93.9Very high95Very high39 Ų3921.6 Ų21.618%0.18212%0.124CC..EExtended strand (participates in β ladder)trans-141.9144-171.6-66.4-177-148.800114I200 S201 R216 W217 Q218 I224I200-E204 HydrophobicContact CB-CB 4.22Å; I200-E204 HydrophobicContact CD1-CB 4.5Å; I200-E204 PolarHBondContact N-O 3.42Å; S201-E204 PolarHBondContact N-O 2.81Å; S201-E204 PolarHBondContact O-N 3.19Å; S201-E204 VanDerWaalsContact O-O 3.04Å; S201-E204 PolarHBondContact OG-N 3.33Å; E204-R216 IonicContact OE1-NH2 2.68Å; E204-R216 IonicContact OE2-CZ 2.7Å; E204-R216 IonicContact OE2-NE 2.71Å; E204-R216 PolarHBondContact OE2-NE 2.83Å; E204-R216 IonicContact OE2-NH2 3.56Å; E204-R216 PolarHBondContact OE2-NH2 3.4Å; E204-W217 VanDerWaalsContact CA-O 3.23Å; E204-W217 WeakPolarHBondContact CA-O 3.25Å; E204-Q218 HydrophobicContact CG-CG 4.47Å; E204-I224 HydrophobicContact CG-CD1 4.08Å
205F96.5Very high95Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-145.9159.417968.5-85.2000112L167 I175 F187 L197 A198 W217 V219L167-F205 HydrophobicContact CD1-CB 3.99Å; L167-F205 HydrophobicContact CD1-CD1 3.56Å; L167-F205 HydrophobicContact CD1-CD2 3.87Å; L167-F205 HydrophobicContact CD1-CE1 3.93Å; L167-F205 HydrophobicContact CD1-CE2 4.22Å; L167-F205 HydrophobicContact CD1-CG 3.53Å; L167-F205 HydrophobicContact CD1-CZ 4.24Å; L167-F205 HydrophobicContact CD2-CD1 4.41Å; L167-F205 HydrophobicContact CD2-CE1 3.92Å; L167-F205 HydrophobicContact CD2-CE2 4.33Å; L167-F205 HydrophobicContact CD2-CZ 3.87Å; I175-F205 HydrophobicContact CD1-CE2 4.3Å; I175-F205 HydrophobicContact CG2-CE2 4.08Å; I175-F205 HydrophobicContact CG2-CZ 4.21Å; F187-F205 HydrophobicContact CD1-CZ 4.16Å; F187-F205 HydrophobicContact CD2-CZ 4.17Å; F187-F205 AromaticContact CE1-CE1 3.91Å; F187-F205 HydrophobicContact CE1-CE1 3.91Å; F187-F205 AromaticContact CE1-CZ 3.89Å; F187-F205 HydrophobicContact CE1-CZ 3.89Å; F187-F205 HydrophobicContact CE2-CE1 4.24Å; F187-F205 AromaticContact CE2-CZ 3.89Å; F187-F205 HydrophobicContact CE2-CZ 3.89Å; F187-F205 HydrophobicContact CG-CZ 4.31Å; F187-F205 AromaticContact CZ-CE1 3.72Å; F187-F205 HydrophobicContact CZ-CE1 3.72Å; F187-F205 AromaticContact CZ-CZ 3.76Å; F187-F205 HydrophobicContact CZ-CZ 3.76Å; L197-F205 HydrophobicContact CD2-CD2 3.88Å; L197-F205 HydrophobicContact CD2-CE2 3.95Å; A198-F205 CarbonylContact O-C 3.47Å; A198-F205 VanDerWaalsContact O-CA 3.3Å; A198-F205 WeakPolarHBondContact O-CA 3.25Å; A198-F205 WeakPolarHBondContact O-CB 3.44Å; F205-W217 HydrophobicContact CD1-CB 4Å; F205-W217 HydrophobicContact CD2-CB 4.32Å; F205-W217 AromaticContact CD2-CD1 3.97Å; F205-W217 HydrophobicContact CD2-CG 4.46Å; F205-W217 HydrophobicContact CE1-CB 3.52Å; F205-W217 HydrophobicContact CE1-CG 4.26Å; F205-W217 HydrophobicContact CE2-CB 3.88Å; F205-W217 AromaticContact CE2-CD1 3.45Å; F205-W217 VanDerWaalsContact CE2-CD1 3.45Å; F205-W217 AromaticContact CE2-CG 3.79Å; F205-W217 HydrophobicContact CE2-CG 3.79Å; F205-W217 HydrophobicContact CG-CB 4.38Å; F205-W217 HydrophobicContact CZ-CB 3.45Å; F205-W217 VanDerWaalsContact CZ-CB 3.45Å; F205-W217 AromaticContact CZ-CD1 3.85Å; F205-W217 AromaticContact CZ-CG 3.68Å; F205-W217 HydrophobicContact CZ-CG 3.68Å; F205-W217 PolarHBondContact N-O 3.46Å; F205-W217 PolarHBondContact O-N 3.02Å; F205-V219 HydrophobicContact CD1-CG1 4.31Å
206L98.2Very high95Very high1 Ų122.8 Ų22.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-102.1149.1170.8-63.9169000110.3L197 A198 I200 I214 R215 R216 Y227 L237 V239 F246L197-L206 WeakPolarHBondContact CA-O 3.22Å; A198-L206 HydrophobicContact CB-CB 4.48Å; A198-L206 PolarHBondContact N-O 2.86Å; A198-L206 PolarHBondContact O-N 3.34Å; I200-L206 HydrophobicContact CD1-CD1 4.38Å; I200-L206 HydrophobicContact CD1-CD2 3.98Å; I200-L206 HydrophobicContact CD1-CG 3.78Å; I200-L206 HydrophobicContact CG1-CD1 4.34Å; I200-L206 HydrophobicContact CG1-CG 4.04Å; L206-I214 HydrophobicContact CD2-CG2 4.35Å; L206-R215 CarbonylContact C-O 3.54Å; L206-R215 VanDerWaalsContact CA-O 3.29Å; L206-R215 WeakPolarHBondContact CA-O 3.31Å; L206-R216 HydrophobicContact CD2-CB 3.84Å; L206-R216 HydrophobicContact CD2-CG 4.2Å; L206-Y227 HydrophobicContact CD2-CE2 3.89Å; L206-L237 HydrophobicContact CB-CD1 3.83Å; L206-V239 HydrophobicContact CD1-CG2 3.96Å; L206-F246 HydrophobicContact CD1-CB 3.82Å; L206-F246 HydrophobicContact CD1-CD1 3.61Å; L206-F246 HydrophobicContact CD1-CD2 3.85Å; L206-F246 HydrophobicContact CD1-CE1 4.09Å; L206-F246 HydrophobicContact CD1-CE2 4.3Å; L206-F246 HydrophobicContact CD1-CG 3.48Å; L206-F246 VanDerWaalsContact CD1-CG 3.48Å; L206-F246 HydrophobicContact CD1-CZ 4.42Å; L206-F246 HydrophobicContact CD2-CE1 4.37Å
207S98.7Very high95Very high0 Ų022.7 Ų22.70%013%0.125CC..EExtended strand (participates in β ladder)trans-131.3149.8164.6630000111.2I175 H190 G196 I214 R215 W217I175-S207 WeakPolarHBondContact CD1-OG 3.36Å; H190-S207 PolarHBondContact CD2-OG 2.7Å; H190-S207 PolarHBondContact NE2-OG 3.26Å; G196-S207 VanDerWaalsContact O-CA 3.29Å; G196-S207 WeakPolarHBondContact O-CA 3.39Å; S207-I214 CarbonylContact O-C 3.54Å; S207-I214 VanDerWaalsContact O-CA 3.25Å; S207-I214 WeakPolarHBondContact O-CA 3.47Å; S207-I214 WeakPolarHBondContact O-CG2 3.29Å; S207-R215 PolarHBondContact N-O 2.61Å; S207-R215 PolarHBondContact O-N 2.87Å; S207-W217 PolarHBondContact OG-NE1 3.33Å
208C98.5Very high94.9Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-127.1155.6170.9700000111.1V194 R195 G196 I214 I234 L237V194-C208 WeakPolarHBondContact CG1-O 3.13Å; R195-C208 PolarHBondContact N-O 2.83Å; G196-C208 VanDerWaalsContact CA-SG 3.56Å; G196-C208 PolarHBondContact N-O 2.81Å; G196-C208 PolarHBondContact N-SG 2.99Å; G196-C208 VanDerWaalsContact N-SG 3.4Å; G196-C208 PolarHBondContact O-N 3.49Å; C208-I214 HydrophobicContact CB-CG1 4Å; C208-I234 HydrophobicContact CB-CB 3.81Å; C208-I234 HydrophobicContact CB-CD1 4.3Å; C208-I234 HydrophobicContact CB-CG2 3.57Å; C208-L237 HydrophobicContact CB-CD1 3.76Å; C208-L237 HydrophobicContact CB-CD2 4.27Å; C208-L237 HydrophobicContact CB-CG 3.89Å
209S97.4Very high94.7Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans-142.1164.9-171168.60000112.7H190 D192 C193 D211 T212 S213 I234H190-S209 VanDerWaalsContact CE1-CB 3.49Å; H190-S209 WeakPolarHBondContact CE1-CB 3.41Å; H190-S209 WeakPolarHBondContact ND1-CB 3.32Å; D192-S209 VanDerWaalsContact C-OG 3.22Å; D192-S209 PolarHBondContact O-OG 3.15Å; C193-S209 CarbonylContact O-C 3.57Å; C193-S209 WeakPolarHBondContact O-CA 3.27Å; C193-S209 WeakPolarHBondContact O-CB 3.23Å; C193-S209 PolarHBondContact O-OG 3.19Å; S209-D211 VanDerWaalsContact CB-OD1 3.31Å; S209-D211 WeakPolarHBondContact CB-OD1 3.45Å; S209-D211 PolarHBondContact O-N 3.04Å; S209-D211 VanDerWaalsContact OG-CG 3.3Å; S209-D211 PolarHBondContact OG-N 3.24Å; S209-D211 PolarHBondContact OG-OD1 2.76Å; S209-T212 PolarHBondContact O-N 3.25Å; S209-S213 PolarHBondContact N-O 3.27Å; S209-I234 PolarHBondContact O-N 2.7Å
210N95.4Very high94.6Very high21 Ų2126.4 Ų26.411%0.11214%0.144CC..THydrogen-bonded Turntrans-59.6-19.4163-76.414000112.8D192 C193 R195 T212 Y233D192-N210 HydrophobicContact CB-CB 3.86Å; D192-N210 WeakPolarHBondContact OD2-CB 3.37Å; C193-N210 HydrophobicContact CB-CB 4.33Å; C193-N210 PolarHBondContact O-N 2.83Å; R195-N210 VanDerWaalsContact CG-OD1 3.28Å; R195-N210 WeakPolarHBondContact CG-OD1 3.42Å; N210-T212 PolarHBondContact O-N 2.82Å; N210-Y233 HydrophobicContact CB-CD1 3.5Å; N210-Y233 VanDerWaalsContact CB-CD1 3.5Å; N210-Y233 HydrophobicContact CB-CE1 3.83Å; N210-Y233 HydrophobicContact CB-CG 4.04Å; N210-Y233 VanDerWaalsContact O-CD1 3.29Å; N210-Y233 WeakPolarHBondContact O-CD1 3.38Å
211D92Very high94.6Very high28 Ų2826.3 Ų26.315%0.1515%0.151CC..THydrogen-bonded Turntrans-71.811.1176.573.911.2000114.7H190 E191 D192 S209 S213H190-D211 WeakPolarHBondContact CA-OD2 3.41Å; H190-D211 WeakPolarHBondContact CB-OD2 3.09Å; H190-D211 IonicContact CE1-OD1 2.7Å; H190-D211 IonicContact CE1-OD2 3.87Å; H190-D211 IonicContact CG-OD2 3.6Å; H190-D211 IonicContact ND1-OD1 3.78Å; H190-D211 PolarHBondContact ND1-OD1 3Å; H190-D211 IonicContact ND1-OD2 3.93Å; H190-D211 PolarHBondContact ND1-OD2 3.37Å; E191-D211 HydrophobicContact CB-CB 4.13Å; E191-D211 PolarHBondContact N-OD2 2.95Å; D192-D211 HydrophobicContact CB-CB 4.1Å; S209-D211 VanDerWaalsContact CB-OD1 3.31Å; S209-D211 WeakPolarHBondContact CB-OD1 3.45Å; S209-D211 PolarHBondContact O-N 3.04Å; S209-D211 VanDerWaalsContact OG-CG 3.3Å; S209-D211 PolarHBondContact OG-N 3.24Å; S209-D211 PolarHBondContact OG-OD1 2.76Å; D211-S213 VanDerWaalsContact CG-OG 3.28Å; D211-S213 PolarHBondContact O-N 2.61Å; D211-S213 VanDerWaalsContact O-N 3.11Å; D211-S213 WeakPolarHBondContact OD1-CA 3.34Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.32Å; D211-S213 PolarHBondContact OD1-N 3.37Å; D211-S213 PolarHBondContact OD1-OG 3.5Å; D211-S213 PolarHBondContact OD2-OG 2.97Å
212T91.4Very high94.9Very high42 Ų4229.7 Ų29.726%0.25816%0.162SC..SBendtrans64.33.9-178750000115.3S209 N210S209-T212 PolarHBondContact O-N 3.25Å; N210-T212 PolarHBondContact O-N 2.82Å
213S95.3Very high95.4Very high1 Ų128.6 Ų28.61%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-100.5149.217879.20000113.1H190 S209 D211 R215H190-S213 PolarHBondContact CE1-OG 2.94Å; H190-S213 VanDerWaalsContact CE1-OG 3.31Å; H190-S213 PolarHBondContact ND1-OG 3.35Å; S209-S213 PolarHBondContact N-O 3.27Å; D211-S213 VanDerWaalsContact CG-OG 3.28Å; D211-S213 PolarHBondContact O-N 2.61Å; D211-S213 VanDerWaalsContact O-N 3.11Å; D211-S213 WeakPolarHBondContact OD1-CA 3.34Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.32Å; D211-S213 PolarHBondContact OD1-N 3.37Å; D211-S213 PolarHBondContact OD1-OG 3.5Å; D211-S213 PolarHBondContact OD2-OG 2.97Å; S213-R215 PolarHBondContact OG-NE 2.64Å
214I98.6Very high95.7Very high0 Ų028.6 Ų28.60%016%0.156CC..EExtended strand (participates in β ladder)trans-111.2136163.8-55.6169.7000106.7L206 S207 C208 V226 Y227 I234 L237 F246 S248 W258L206-I214 HydrophobicContact CD2-CG2 4.35Å; S207-I214 CarbonylContact O-C 3.54Å; S207-I214 VanDerWaalsContact O-CA 3.25Å; S207-I214 WeakPolarHBondContact O-CA 3.47Å; S207-I214 WeakPolarHBondContact O-CG2 3.29Å; C208-I214 HydrophobicContact CB-CG1 4Å; I214-V226 CarbonylContact O-C 3.39Å; I214-V226 WeakPolarHBondContact O-CA 3.37Å; I214-Y227 HydrophobicContact CB-CD2 3.99Å; I214-Y227 HydrophobicContact CG2-CD2 3.9Å; I214-Y227 PolarHBondContact N-O 2.9Å; I214-Y227 WeakPolarHBondContact O-CD2 3.41Å; I214-Y227 PolarHBondContact O-N 2.91Å; I214-I234 HydrophobicContact CD1-CD1 4.06Å; I214-I234 HydrophobicContact CG1-CD1 3.47Å; I214-I234 VanDerWaalsContact CG1-CD1 3.47Å; I214-L237 HydrophobicContact CD1-CD2 4.03Å; I214-L237 HydrophobicContact CG1-CD2 4.43Å; I214-L237 HydrophobicContact CG2-CD1 4.38Å; I214-L237 HydrophobicContact CG2-CD2 4.03Å; I214-F246 HydrophobicContact CD1-CE2 3.91Å; I214-F246 HydrophobicContact CG2-CE2 4.05Å; I214-F246 HydrophobicContact CG2-CZ 4.3Å; I214-S248 WeakPolarHBondContact CD1-OG 3.33Å; I214-W258 HydrophobicContact CD1-CZ2 3.75Å
215R98.3Very high95.8Very high29 Ų2930.2 Ų30.211%0.10916%0.164CC..EExtended strand (participates in β ladder)trans-124.5134.1-177-66.8-178.4-179.1-1132.1110.8G189 L206 S207 S213 W217 Q225 V226G189-R215 PolarHBondContact O-NH1 3.44Å; G189-R215 PolarHBondContact O-NH2 3.09Å; L206-R215 CarbonylContact C-O 3.54Å; L206-R215 VanDerWaalsContact CA-O 3.29Å; L206-R215 WeakPolarHBondContact CA-O 3.31Å; S207-R215 PolarHBondContact N-O 2.61Å; S207-R215 PolarHBondContact O-N 2.87Å; S213-R215 PolarHBondContact OG-NE 2.64Å; R215-W217 HydrophobicContact CB-CZ2 3.93Å; R215-W217 VanDerWaalsContact CB-NE1 3.33Å; R215-W217 HydrophobicContact CG-CZ2 4.39Å; R215-Q225 WeakPolarHBondContact CA-O 3.38Å; R215-V226 HydrophobicContact CG-CB 4.49Å; R215-V226 HydrophobicContact CG-CG1 3.97Å; R215-V226 HydrophobicContact CG-CG2 4.15Å
216R97.8Very high95.8Very high25 Ų2532.5 Ų32.59%0.09418%0.178CC..EExtended strand (participates in β ladder)trans-98.2128.3171.9-175.3175175168.1-1.7109.3I200 E204 L206 C223 I224 Q225 Y227 Q244I200-R216 HydrophobicContact CD1-CG 3.88Å; E204-R216 IonicContact OE1-NH2 2.68Å; E204-R216 IonicContact OE2-CZ 2.7Å; E204-R216 IonicContact OE2-NE 2.71Å; E204-R216 PolarHBondContact OE2-NE 2.83Å; E204-R216 IonicContact OE2-NH2 3.56Å; E204-R216 PolarHBondContact OE2-NH2 3.4Å; L206-R216 HydrophobicContact CD2-CB 3.84Å; L206-R216 HydrophobicContact CD2-CG 4.2Å; R216-C223 CarbonylContact O-C 3.43Å; R216-I224 HydrophobicContact CG-CB 4.44Å; R216-I224 HydrophobicContact CG-CD1 4.18Å; R216-I224 PolarHBondContact O-N 3.13Å; R216-Q225 HydrophobicContact CB-CB 4.11Å; R216-Q225 PolarHBondContact N-O 3.25Å; R216-Q225 PolarHBondContact O-N 3.24Å; R216-Y227 HydrophobicContact CB-CE2 4.06Å; R216-Y227 WeakPolarHBondContact CD-OH 3.36Å; R216-Q244 VanDerWaalsContact CZ-OE1 3.29Å
217W97.7Very high95.5Very high5 Ų532.9 Ų32.92%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-124.7144.6-174.6-5690.6000111.1I175 F187 E204 F205 S207 R215 E222 C223I175-W217 HydrophobicContact CD1-CZ2 4.37Å; F187-W217 HydrophobicContact CB-CE3 4.21Å; F187-W217 HydrophobicContact CB-CH2 4.24Å; F187-W217 HydrophobicContact CB-CZ3 4.02Å; F187-W217 HydrophobicContact CD1-CD2 4.34Å; F187-W217 AromaticContact CD1-CE3 3.87Å; F187-W217 HydrophobicContact CD1-CE3 3.87Å; F187-W217 HydrophobicContact CD1-CZ3 4.39Å; F187-W217 HydrophobicContact CG-CE3 4.45Å; E204-W217 VanDerWaalsContact CA-O 3.23Å; E204-W217 WeakPolarHBondContact CA-O 3.25Å; F205-W217 HydrophobicContact CD1-CB 4Å; F205-W217 HydrophobicContact CD2-CB 4.32Å; F205-W217 AromaticContact CD2-CD1 3.97Å; F205-W217 HydrophobicContact CD2-CG 4.46Å; F205-W217 HydrophobicContact CE1-CB 3.52Å; F205-W217 HydrophobicContact CE1-CG 4.26Å; F205-W217 HydrophobicContact CE2-CB 3.88Å; F205-W217 AromaticContact CE2-CD1 3.45Å; F205-W217 VanDerWaalsContact CE2-CD1 3.45Å; F205-W217 AromaticContact CE2-CG 3.79Å; F205-W217 HydrophobicContact CE2-CG 3.79Å; F205-W217 HydrophobicContact CG-CB 4.38Å; F205-W217 HydrophobicContact CZ-CB 3.45Å; F205-W217 VanDerWaalsContact CZ-CB 3.45Å; F205-W217 AromaticContact CZ-CD1 3.85Å; F205-W217 AromaticContact CZ-CG 3.68Å; F205-W217 HydrophobicContact CZ-CG 3.68Å; F205-W217 PolarHBondContact N-O 3.46Å; F205-W217 PolarHBondContact O-N 3.02Å; S207-W217 PolarHBondContact OG-NE1 3.33Å; R215-W217 HydrophobicContact CB-CZ2 3.93Å; R215-W217 VanDerWaalsContact CB-NE1 3.33Å; R215-W217 HydrophobicContact CG-CZ2 4.39Å; W217-E222 CarbonylContact C-O 3.57Å; W217-E222 VanDerWaalsContact CA-O 3.28Å; W217-E222 WeakPolarHBondContact CA-O 3.18Å; W217-C223 HydrophobicContact CD2-CB 4.36Å; W217-C223 HydrophobicContact CE3-CB 3.71Å; W217-C223 HydrophobicContact CH2-CB 4.1Å; W217-C223 HydrophobicContact CZ3-CB 3.58Å
218Q95.9Very high95Very high56 Ų5640.1 Ų40.126%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-81.5147.6154.1-65.3176.532.400109.7F187 T203 E204 T220 G221 E222 I224F187-Q218 WeakPolarHBondContact CE1-O 3.39Å; T203-Q218 CarbonylContact O-C 3.58Å; T203-Q218 VanDerWaalsContact O-CA 3.32Å; T203-Q218 WeakPolarHBondContact O-CA 3.3Å; E204-Q218 HydrophobicContact CG-CG 4.47Å; Q218-T220 HydrophobicContact CB-CG2 4.47Å; Q218-T220 WeakPolarHBondContact CB-OG1 3.16Å; Q218-T220 PolarHBondContact O-N 2.81Å; Q218-T220 PolarHBondContact OE1-OG1 3.28Å; Q218-G221 PolarHBondContact O-N 3.46Å; Q218-E222 HydrophobicContact CB-CB 4.39Å; Q218-E222 PolarHBondContact N-O 3.41Å; Q218-E222 PolarHBondContact NE2-OE2 3.43Å; Q218-I224 HydrophobicContact CG-CD1 3.57Å; Q218-I224 HydrophobicContact CG-CG1 3.85Å
219V93.3Very high94.2Very high16 Ų1641.5 Ų41.510%0.09722%0.217CC..THydrogen-bonded Turntrans-57.9-17.6171-63.60000113.6L160 R185 T203 F205 G221L160-V219 HydrophobicContact CD1-CG1 3.68Å; R185-V219 PolarHBondContact NH1-O 2.83Å; T203-V219 PolarHBondContact O-N 2.98Å; F205-V219 HydrophobicContact CD1-CG1 4.31Å; V219-G221 VanDerWaalsContact C-N 3.27Å; V219-G221 PolarHBondContact O-N 2.86Å
220T91Very high93.7Very high80 Ų8041.8 Ų41.849%0.49122%0.218SC..THydrogen-bonded Turntrans-67.4-21.217559.10000113.8R185 Q218R185-T220 WeakPolarHBondContact CD-O 3.32Å; R185-T220 PolarHBondContact NE-O 3.49Å; Q218-T220 HydrophobicContact CB-CG2 4.47Å; Q218-T220 WeakPolarHBondContact CB-OG1 3.16Å; Q218-T220 PolarHBondContact O-N 2.81Å; Q218-T220 PolarHBondContact OE1-OG1 3.28Å
221G92Very high93Very high29 Ų2943.8 Ų43.830%0.29923%0.231SC..SBendtrans119-16.1-176.500000114.7Q218 V219Q218-G221 PolarHBondContact O-N 3.46Å; V219-G221 VanDerWaalsContact C-N 3.27Å; V219-G221 PolarHBondContact O-N 2.86Å
222E95.5Very high92.8Very high112 Ų11243.9 Ų43.952%0.52323%0.232SC..  trans-75.5128.7-174.5-173.1172.3-165.600112.1W217 Q218 I224W217-E222 CarbonylContact C-O 3.57Å; W217-E222 VanDerWaalsContact CA-O 3.28Å; W217-E222 WeakPolarHBondContact CA-O 3.18Å; Q218-E222 HydrophobicContact CB-CB 4.39Å; Q218-E222 PolarHBondContact N-O 3.41Å; Q218-E222 PolarHBondContact NE2-OE2 3.43Å; E222-I224 PolarHBondContact O-N 3.23Å
223C97.1Very high92.8Very high44 Ų4446.6 Ų46.630%0.29724%0.238SC..EExtended strand (participates in β ladder)trans-84.3105.5167.8-169.40000108.3R216 W217R216-C223 CarbonylContact O-C 3.43Å; W217-C223 HydrophobicContact CD2-CB 4.36Å; W217-C223 HydrophobicContact CE3-CB 3.71Å; W217-C223 HydrophobicContact CH2-CB 4.1Å; W217-C223 HydrophobicContact CZ3-CB 3.58Å
224I96.1Very high92.9Very high73 Ų7346.6 Ų46.637%0.37424%0.238SC..EExtended strand (participates in β ladder)trans-77.2-39.5-175.1-40.5177.5000111E204 R216 Q218 E222E204-I224 HydrophobicContact CG-CD1 4.08Å; R216-I224 HydrophobicContact CG-CB 4.44Å; R216-I224 HydrophobicContact CG-CD1 4.18Å; R216-I224 PolarHBondContact O-N 3.13Å; Q218-I224 HydrophobicContact CG-CD1 3.57Å; Q218-I224 HydrophobicContact CG-CG1 3.85Å; E222-I224 PolarHBondContact O-N 3.23Å
225Q94.9Very high92.9Very high73 Ų7347.6 Ų47.634%0.34124%0.242SC..EExtended strand (participates in β ladder)trans-151.8148.5-173.5-165167.29.800110.8R215 R216 Y227R215-Q225 WeakPolarHBondContact CA-O 3.38Å; R216-Q225 HydrophobicContact CB-CB 4.11Å; R216-Q225 PolarHBondContact N-O 3.25Å; R216-Q225 PolarHBondContact O-N 3.24Å; Q225-Y227 HydrophobicContact CB-CE1 4.47Å; Q225-Y227 HydrophobicContact CB-CE2 4.43Å; Q225-Y227 VanDerWaalsContact CD-CZ 3.48Å; Q225-Y227 HydrophobicContact CG-CD1 4.24Å; Q225-Y227 HydrophobicContact CG-CE1 3.67Å; Q225-Y227 HydrophobicContact CG-CE2 4.38Å; Q225-Y227 VanDerWaalsContact NE2-CE1 3.32Å; Q225-Y227 PolarHBondContact OE1-OH 2.79Å
226V95.7Very high92.8Very high48 Ų4847.2 Ų47.229%0.29124%0.244SC..EExtended strand (participates in β ladder)trans-124.5131.8170.7-168.90000108I214 R215 Y228I214-V226 CarbonylContact O-C 3.39Å; I214-V226 WeakPolarHBondContact O-CA 3.37Å; R215-V226 HydrophobicContact CG-CB 4.49Å; R215-V226 HydrophobicContact CG-CG1 3.97Å; R215-V226 HydrophobicContact CG-CG2 4.15Å; V226-Y228 HydrophobicContact CB-CE2 3.98Å; V226-Y228 HydrophobicContact CG1-CD2 4.18Å; V226-Y228 HydrophobicContact CG1-CE1 4.23Å; V226-Y228 HydrophobicContact CG1-CE2 3.46Å; V226-Y228 VanDerWaalsContact CG1-CE2 3.46Å
227Y93.8Very high92.9Very high9 Ų946.8 Ų46.84%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-110.8132.9178.9-44.9-86.2000109.7L206 I214 R216 Q225 F246 W258 G261L206-Y227 HydrophobicContact CD2-CE2 3.89Å; I214-Y227 HydrophobicContact CB-CD2 3.99Å; I214-Y227 HydrophobicContact CG2-CD2 3.9Å; I214-Y227 PolarHBondContact N-O 2.9Å; I214-Y227 WeakPolarHBondContact O-CD2 3.41Å; I214-Y227 PolarHBondContact O-N 2.91Å; R216-Y227 HydrophobicContact CB-CE2 4.06Å; R216-Y227 WeakPolarHBondContact CD-OH 3.36Å; Q225-Y227 HydrophobicContact CB-CE1 4.47Å; Q225-Y227 HydrophobicContact CB-CE2 4.43Å; Q225-Y227 VanDerWaalsContact CD-CZ 3.48Å; Q225-Y227 HydrophobicContact CG-CD1 4.24Å; Q225-Y227 HydrophobicContact CG-CE1 3.67Å; Q225-Y227 HydrophobicContact CG-CE2 4.38Å; Q225-Y227 VanDerWaalsContact NE2-CE1 3.32Å; Q225-Y227 PolarHBondContact OE1-OH 2.79Å; Y227-F246 HydrophobicContact CD1-CZ 4.4Å; Y227-F246 HydrophobicContact CD2-CE1 4.45Å; Y227-F246 AromaticContact CD2-CZ 3.83Å; Y227-F246 HydrophobicContact CD2-CZ 3.83Å; Y227-F246 HydrophobicContact CE1-CE1 4.4Å; Y227-F246 HydrophobicContact CE1-CZ 4.44Å; Y227-F246 HydrophobicContact CE2-CE1 4.03Å; Y227-F246 AromaticContact CE2-CZ 3.85Å; Y227-F246 HydrophobicContact CE2-CZ 3.85Å; Y227-F246 HydrophobicContact CG-CZ 4.12Å; Y227-W258 HydrophobicContact CD1-CE3 4.32Å; Y227-W258 HydrophobicContact CD1-CZ3 4.3Å; Y227-W258 HydrophobicContact CG-CE3 4.47Å; Y227-W258 HydrophobicContact CG-CZ3 4.27Å; Y227-G261 WeakPolarHBondContact CD1-O 3.25Å
228Y88.3Confident92.9Very high152 Ų15247.3 Ų47.360%0.59625%0.248SC*.EExtended strand (participates in β ladder)trans-125.4124176.9-62.5-83.2000108.5V226V226-Y228 HydrophobicContact CB-CE2 3.98Å; V226-Y228 HydrophobicContact CG1-CD2 4.18Å; V226-Y228 HydrophobicContact CG1-CE1 4.23Å; V226-Y228 HydrophobicContact CG1-CE2 3.46Å; V226-Y228 VanDerWaalsContact CG1-CE2 3.46Å
229S81.4Confident92.9Very high28 Ų2846.1 Ų46.120%0.19625%0.245CC..  trans-165.5-39.7174.2-165.80000110.7R256 C263S229-R256 VanDerWaalsContact C-CZ 3.45Å; S229-R256 PolarHBondContact O-NH1 3.4Å; S229-R256 PolarHBondContact O-NH2 3.05Å; S229-R256 PolarHBondContact OG-NH1 3.07Å; S229-C263 WeakPolarHBondContact OG-CB 3.5Å; S229-C263 PolarHBondContact OG-SG 3.43Å; S229-C263 VanDerWaalsContact OG-SG 3.35Å
230H85.4Confident93Very high7 Ų746.4 Ų46.43%0.03225%0.245CC..  trans-61153.2164.2-75.9-73.9000111.1I234 S248 D252 S254 R256H230-I234 HydrophobicContact CB-CD1 3.82Å; H230-I234 HydrophobicContact CB-CG1 3.76Å; H230-S248 PolarHBondContact CD2-OG 3Å; H230-S248 WeakPolarHBondContact NE2-CB 3.4Å; H230-S248 PolarHBondContact NE2-OG 2.78Å; H230-D252 WeakPolarHBondContact CA-OD2 3.4Å; H230-D252 IonicContact CE1-OD1 2.73Å; H230-D252 PolarHBondContact CE1-OD1 2.68Å; H230-D252 IonicContact CE1-OD2 3.16Å; H230-D252 IonicContact CG-OD2 3Å; H230-D252 IonicContact ND1-OD1 3.72Å; H230-D252 PolarHBondContact ND1-OD1 3.26Å; H230-D252 IonicContact ND1-OD2 3.52Å; H230-D252 PolarHBondContact ND1-OD2 3.02Å; H230-S254 PolarHBondContact CE1-OG 2.78Å; H230-S254 VanDerWaalsContact CE1-OG 3.26Å; H230-S254 PolarHBondContact ND1-OG 2.82Å; H230-R256 PolarHBondContact ND1-NE 3.43Å
231T81.3Confident92.8Very high62 Ų6246.8 Ų46.838%0.3825%0.249SC..  trans-129.2-4.3-167.841.20000112.7D252 D328T231-D252 PolarHBondContact N-OD2 3.28Å; T231-D252 VanDerWaalsContact OG1-CB 3.31Å; T231-D252 WeakPolarHBondContact OG1-CB 3.36Å; T231-D252 PolarHBondContact OG1-OD2 2.94Å; T231-D328 WeakPolarHBondContact CB-OD1 3.35Å; T231-D328 HydrophobicContact CG2-CB 3.95Å; T231-D328 PolarHBondContact OG1-OD1 3.14Å; T231-D328 PolarHBondContact OG1-OD2 2.55Å
232N87.6Confident92.3Very high31 Ų3154.1 Ų54.117%0.16628%0.281CS..SBendtrans-146.9-176.5171.8-158.8-17.7000107.7I234 E251 D252 T326N232-I234 PolarHBondContact O-N 3.03Å; N232-E251 HydrophobicContact CB-CB 4.14Å; N232-D252 HydrophobicContact CB-CB 4.1Å; N232-T326 PolarHBondContact ND2-O 3.43Å; N232-T326 VanDerWaalsContact ND2-O 3.09Å
233Y92.3Very high91.9Very high99 Ų9950.6 Ų50.639%0.38827%0.269SS..  trans-52.1135.5-171.5-54.5-25000113.6N210 Y235 G250 E251N210-Y233 HydrophobicContact CB-CD1 3.5Å; N210-Y233 VanDerWaalsContact CB-CD1 3.5Å; N210-Y233 HydrophobicContact CB-CE1 3.83Å; N210-Y233 HydrophobicContact CB-CG 4.04Å; N210-Y233 VanDerWaalsContact O-CD1 3.29Å; N210-Y233 WeakPolarHBondContact O-CD1 3.38Å; Y233-Y235 HydrophobicContact CD2-CE1 4.3Å; Y233-Y235 HydrophobicContact CG-CE1 4.43Å; Y233-G250 CarbonylContact O-C 3.51Å; Y233-G250 WeakPolarHBondContact O-CA 3.46Å; Y233-E251 PolarHBondContact O-N 3.01Å
234I97.2Very high91.4Very high1 Ų153.7 Ų53.71%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-98.8133.5175.9-44.8178.3000108.5R195 C208 S209 I214 H230 N232 T249R195-I234 WeakPolarHBondContact CB-O 3.49Å; R195-I234 WeakPolarHBondContact CG-O 3.39Å; C208-I234 HydrophobicContact CB-CB 3.81Å; C208-I234 HydrophobicContact CB-CD1 4.3Å; C208-I234 HydrophobicContact CB-CG2 3.57Å; S209-I234 PolarHBondContact O-N 2.7Å; I214-I234 HydrophobicContact CD1-CD1 4.06Å; I214-I234 HydrophobicContact CG1-CD1 3.47Å; I214-I234 VanDerWaalsContact CG1-CD1 3.47Å; H230-I234 HydrophobicContact CB-CD1 3.82Å; H230-I234 HydrophobicContact CB-CG1 3.76Å; N232-I234 PolarHBondContact O-N 3.03Å; I234-T249 VanDerWaalsContact CG2-O 3.27Å; I234-T249 WeakPolarHBondContact CG2-O 3.21Å
235Y97.3Very high91.4Very high21 Ų2152 Ų528%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-112.8-29.5-170.7-62.6-31.2000114.5R195 Y233 T249 E251 W275R195-Y235 VanDerWaalsContact CZ-CD1 3.42Å; Y233-Y235 HydrophobicContact CD2-CE1 4.3Å; Y233-Y235 HydrophobicContact CG-CE1 4.43Å; Y235-T249 PolarHBondContact N-O 2.83Å; Y235-E251 HydrophobicContact CE2-CB 3.88Å; Y235-E251 WeakPolarHBondContact CE2-OE2 3.46Å; Y235-E251 VanDerWaalsContact CZ-OE2 3.28Å; Y235-E251 WeakPolarHBondContact OH-CB 3.32Å; Y235-E251 PolarHBondContact OH-OE2 3.43Å; Y235-W275 WeakPolarHBondContact CB-O 3.34Å; Y235-W275 HydrophobicContact CD1-CZ3 4.26Å; Y235-W275 HydrophobicContact CD2-CD2 4.28Å; Y235-W275 AromaticContact CD2-CE3 3.44Å; Y235-W275 HydrophobicContact CD2-CE3 3.44Å; Y235-W275 VanDerWaalsContact CD2-CE3 3.44Å; Y235-W275 AromaticContact CD2-CZ3 3.68Å; Y235-W275 HydrophobicContact CD2-CZ3 3.68Å; Y235-W275 AromaticContact CE1-CZ3 3.95Å; Y235-W275 HydrophobicContact CE1-CZ3 3.95Å; Y235-W275 HydrophobicContact CE2-CD2 4.35Å; Y235-W275 AromaticContact CE2-CE3 3.56Å; Y235-W275 HydrophobicContact CE2-CE3 3.56Å; Y235-W275 AromaticContact CE2-CH2 3.95Å; Y235-W275 HydrophobicContact CE2-CH2 3.95Å; Y235-W275 AromaticContact CE2-CZ3 3.32Å; Y235-W275 HydrophobicContact CE2-CZ3 3.32Å; Y235-W275 AromaticContact CG-CE3 3.93Å; Y235-W275 HydrophobicContact CG-CE3 3.93Å; Y235-W275 HydrophobicContact CG-CZ3 4.11Å; Y235-W275 AromaticContact CZ-CH2 3.98Å; Y235-W275 AromaticContact CZ-CZ3 3.43Å; Y235-W275 VanDerWaalsContact CZ-CZ3 3.43Å
236S98.1Very high91.5Very high21 Ų2148.7 Ų48.715%0.14726%0.255CS..EExtended strand (participates in β ladder)trans-144.1157.1-174.1-150.60000112.6S248 T249 C277S236-S248 WeakPolarHBondContact O-CA 3.17Å; S236-T249 VanDerWaalsContact CB-OG1 3.3Å; S236-T249 WeakPolarHBondContact CB-OG1 3.37Å; S236-T249 PolarHBondContact N-O 3.27Å; S236-T249 PolarHBondContact O-N 2.85Å; S236-C277 PolarHBondContact OG-N 3.1Å
237L98.1Very high91.6Very high15 Ų1546.4 Ų46.48%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-142.2139.4175.2-73.9171.6000108.7A198 L206 C208 I214 F246 I247A198-L237 HydrophobicContact CB-CB 3.83Å; L206-L237 HydrophobicContact CB-CD1 3.83Å; C208-L237 HydrophobicContact CB-CD1 3.76Å; C208-L237 HydrophobicContact CB-CD2 4.27Å; C208-L237 HydrophobicContact CB-CG 3.89Å; I214-L237 HydrophobicContact CD1-CD2 4.03Å; I214-L237 HydrophobicContact CG1-CD2 4.43Å; I214-L237 HydrophobicContact CG2-CD1 4.38Å; I214-L237 HydrophobicContact CG2-CD2 4.03Å; L237-F246 HydrophobicContact CD2-CD2 4.09Å; L237-F246 HydrophobicContact CD2-CE2 4.32Å; L237-I247 WeakPolarHBondContact CA-O 3.18Å
238A97.6Very high91.8Very high16 Ų1646 Ų4613%0.13224%0.24CC..EExtended strand (participates in β ladder)trans-140.7143.8163.600000110F246 I247 V279A238-F246 CarbonylContact O-C 3.59Å; A238-F246 VanDerWaalsContact O-CA 3.3Å; A238-F246 WeakPolarHBondContact O-CA 3.28Å; A238-F246 VanDerWaalsContact O-CB 3.31Å; A238-F246 WeakPolarHBondContact O-CB 3.45Å; A238-I247 HydrophobicContact CB-CD1 4.05Å; A238-I247 HydrophobicContact CB-CG1 3.81Å; A238-I247 PolarHBondContact N-O 3Å; A238-I247 VanDerWaalsContact N-O 3.15Å; A238-I247 WeakPolarHBondContact O-CG1 3.38Å; A238-I247 PolarHBondContact O-N 2.86Å; A238-V279 HydrophobicContact CB-CG2 4.17Å
239V96.4Very high92.3Very high32 Ų3238.8 Ų38.819%0.19421%0.211CC..EExtended strand (participates in β ladder)trans-100.7138.9179.8173.50000108.5A198 I200 L206 F246A198-V239 HydrophobicContact CB-CG2 3.9Å; I200-V239 HydrophobicContact CG1-CG2 4.39Å; L206-V239 HydrophobicContact CD1-CG2 3.96Å; V239-F246 HydrophobicContact CG2-CB 4.13Å
240F94.9Very high92.9Very high22 Ų2237.4 Ų37.410%0.09620%0.202CC..PPolyproline II helixtrans-71.1135.4173.2-74.1-85000109.9F7 S243 D245 I247 I257 V279 I285F7-F240 HydrophobicContact CE2-CE1 4.46Å; F7-F240 AromaticContact CE2-CZ 3.89Å; F7-F240 HydrophobicContact CE2-CZ 3.89Å; F7-F240 AromaticContact CZ-CE1 3.73Å; F7-F240 HydrophobicContact CZ-CE1 3.73Å; F7-F240 AromaticContact CZ-CZ 3.57Å; F7-F240 HydrophobicContact CZ-CZ 3.57Å; F240-S243 WeakPolarHBondContact CB-OG 3.26Å; F240-S243 PolarHBondContact O-N 3.09Å; F240-S243 PolarHBondContact O-OG 2.86Å; F240-D245 HydrophobicContact CD2-CB 4Å; F240-D245 PolarHBondContact N-O 2.79Å; F240-I247 HydrophobicContact CE2-CG2 3.55Å; F240-I247 HydrophobicContact CZ-CG2 3.77Å; F240-I257 HydrophobicContact CE2-CG2 4.34Å; F240-V279 HydrophobicContact CD1-CB 4.39Å; F240-V279 HydrophobicContact CD1-CG1 3.52Å; F240-V279 HydrophobicContact CD1-CG2 3.93Å; F240-V279 HydrophobicContact CE1-CG1 3.89Å; F240-V279 HydrophobicContact CE1-CG2 4.02Å; F240-V279 HydrophobicContact CG-CG1 4.35Å; F240-V279 HydrophobicContact CG-CG2 4.22Å; F240-V279 HydrophobicContact CZ-CG2 4.43Å; F240-I285 HydrophobicContact CE1-CG1 4.35Å; F240-I285 HydrophobicContact CZ-CD1 4.08Å; F240-I285 HydrophobicContact CZ-CG1 4.14Å
241P87.7Confident93.2Very high88 Ų8838.1 Ų38.157%0.57121%0.205SC*.THydrogen-bonded Turntrans-48.5140.6-180-29.335.1000113.7S243P241-S243 PolarHBondContact O-N 2.81Å
242D80.8Confident93.4Very high183 Ų18335.3 Ų35.398%0.97919%0.188SC*.THydrogen-bonded Turntrans53.124.4178.1-58.3-43.4000115.9
243S87.1Confident93.6Very high37 Ų3735 Ų3526%0.25918%0.184SC..SBendtrans-133.5176.2-176.686.20000113.4F240 P241 D245F240-S243 WeakPolarHBondContact CB-OG 3.26Å; F240-S243 PolarHBondContact O-N 3.09Å; F240-S243 PolarHBondContact O-OG 2.86Å; P241-S243 PolarHBondContact O-N 2.81Å; S243-D245 PolarHBondContact OG-N 2.64Å; S243-D245 VanDerWaalsContact OG-N 3.09Å; S243-D245 PolarHBondContact OG-O 3.3Å
244Q87.8Confident93.7Very high110 Ų11030.3 Ų30.351%0.51417%0.166SC..SBendtrans-105.23.2166.1-58.2-174.810.700112.1I200 R216I200-Q244 HydrophobicContact CG2-CG 4.16Å; R216-Q244 VanDerWaalsContact CZ-OE1 3.29Å
245D94.9Very high93.7Very high38 Ų3830.2 Ų30.220%0.20317%0.166CC..  trans-81.3147.1179-68.1-12.1000108.8F240 S243 W258 R259 Q260F240-D245 HydrophobicContact CD2-CB 4Å; F240-D245 PolarHBondContact N-O 2.79Å; S243-D245 PolarHBondContact OG-N 2.64Å; S243-D245 VanDerWaalsContact OG-N 3.09Å; S243-D245 PolarHBondContact OG-O 3.3Å; D245-W258 WeakPolarHBondContact CA-O 3.39Å; D245-W258 WeakPolarHBondContact CB-O 3.45Å; D245-R259 HydrophobicContact CB-CG 4.33Å; D245-R259 VanDerWaalsContact OD1-CA 3.32Å; D245-R259 WeakPolarHBondContact OD1-CA 3.5Å; D245-R259 WeakPolarHBondContact OD2-CG 3.41Å; D245-R259 IonicContact OD2-NE 2.88Å; D245-Q260 PolarHBondContact OD1-N 3.38Å
246F97.6Very high93.7Very high3 Ų329.6 Ų29.61%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-150.5170.2-172.765.7-88.2000112.2L206 I214 Y227 L237 A238 V239 W258L206-F246 HydrophobicContact CD1-CB 3.82Å; L206-F246 HydrophobicContact CD1-CD1 3.61Å; L206-F246 HydrophobicContact CD1-CD2 3.85Å; L206-F246 HydrophobicContact CD1-CE1 4.09Å; L206-F246 HydrophobicContact CD1-CE2 4.3Å; L206-F246 HydrophobicContact CD1-CG 3.48Å; L206-F246 VanDerWaalsContact CD1-CG 3.48Å; L206-F246 HydrophobicContact CD1-CZ 4.42Å; L206-F246 HydrophobicContact CD2-CE1 4.37Å; I214-F246 HydrophobicContact CD1-CE2 3.91Å; I214-F246 HydrophobicContact CG2-CE2 4.05Å; I214-F246 HydrophobicContact CG2-CZ 4.3Å; Y227-F246 HydrophobicContact CD1-CZ 4.4Å; Y227-F246 HydrophobicContact CD2-CE1 4.45Å; Y227-F246 AromaticContact CD2-CZ 3.83Å; Y227-F246 HydrophobicContact CD2-CZ 3.83Å; Y227-F246 HydrophobicContact CE1-CE1 4.4Å; Y227-F246 HydrophobicContact CE1-CZ 4.44Å; Y227-F246 HydrophobicContact CE2-CE1 4.03Å; Y227-F246 AromaticContact CE2-CZ 3.85Å; Y227-F246 HydrophobicContact CE2-CZ 3.85Å; Y227-F246 HydrophobicContact CG-CZ 4.12Å; L237-F246 HydrophobicContact CD2-CD2 4.09Å; L237-F246 HydrophobicContact CD2-CE2 4.32Å; A238-F246 CarbonylContact O-C 3.59Å; A238-F246 VanDerWaalsContact O-CA 3.3Å; A238-F246 WeakPolarHBondContact O-CA 3.28Å; A238-F246 VanDerWaalsContact O-CB 3.31Å; A238-F246 WeakPolarHBondContact O-CB 3.45Å; V239-F246 HydrophobicContact CG2-CB 4.13Å; F246-W258 HydrophobicContact CD1-CB 3.88Å; F246-W258 HydrophobicContact CD1-CG 4.5Å; F246-W258 HydrophobicContact CD2-CB 3.99Å; F246-W258 AromaticContact CD2-CD1 3.5Å; F246-W258 AromaticContact CD2-CG 3.83Å; F246-W258 HydrophobicContact CD2-CG 3.83Å; F246-W258 HydrophobicContact CE1-CB 3.66Å; F246-W258 HydrophobicContact CE1-CG 4.08Å; F246-W258 HydrophobicContact CE2-CB 3.76Å; F246-W258 AromaticContact CE2-CD1 3.24Å; F246-W258 AromaticContact CE2-CD2 3.8Å; F246-W258 HydrophobicContact CE2-CD2 3.8Å; F246-W258 AromaticContact CE2-CE2 3.96Å; F246-W258 AromaticContact CE2-CG 3.32Å; F246-W258 HydrophobicContact CE2-CG 3.32Å; F246-W258 AromaticContact CE2-NE1 3.62Å; F246-W258 HydrophobicContact CG-CB 4.04Å; F246-W258 HydrophobicContact CG-CG 4.38Å; F246-W258 HydrophobicContact CZ-CB 3.59Å; F246-W258 AromaticContact CZ-CD1 3.91Å; F246-W258 AromaticContact CZ-CD2 3.77Å; F246-W258 HydrophobicContact CZ-CD2 3.77Å; F246-W258 HydrophobicContact CZ-CE3 4.26Å; F246-W258 AromaticContact CZ-CG 3.47Å; F246-W258 HydrophobicContact CZ-CG 3.47Å; F246-W258 VanDerWaalsContact CZ-CG 3.47Å; F246-W258 PolarHBondContact N-O 3.5Å; F246-W258 VanDerWaalsContact N-O 3.1Å; F246-W258 WeakPolarHBondContact O-CB 3.35Å; F246-W258 PolarHBondContact O-N 3.18Å
247I98.4Very high93.7Very high0 Ų028.6 Ų28.60%016%0.156CC..EExtended strand (participates in β ladder)trans-125153.8175.361.8171.8000110.6L237 A238 F240 L255 R256 I257 C277 V279 I285L237-I247 WeakPolarHBondContact CA-O 3.18Å; A238-I247 HydrophobicContact CB-CD1 4.05Å; A238-I247 HydrophobicContact CB-CG1 3.81Å; A238-I247 PolarHBondContact N-O 3Å; A238-I247 VanDerWaalsContact N-O 3.15Å; A238-I247 WeakPolarHBondContact O-CG1 3.38Å; A238-I247 PolarHBondContact O-N 2.86Å; F240-I247 HydrophobicContact CE2-CG2 3.55Å; F240-I247 HydrophobicContact CZ-CG2 3.77Å; I247-L255 HydrophobicContact CB-CD1 3.99Å; I247-L255 HydrophobicContact CD1-CD1 4.24Å; I247-R256 VanDerWaalsContact CA-O 3.25Å; I247-R256 WeakPolarHBondContact CA-O 3.3Å; I247-I257 HydrophobicContact CG2-CG1 4.17Å; I247-C277 HydrophobicContact CD1-CB 3.72Å; I247-C277 HydrophobicContact CG1-CB 4.5Å; I247-V279 HydrophobicContact CD1-CG2 3.92Å; I247-V279 HydrophobicContact CG1-CG2 4.26Å; I247-I285 HydrophobicContact CD1-CB 4.39Å; I247-I285 HydrophobicContact CD1-CG1 4.22Å; I247-I285 HydrophobicContact CD1-CG2 3.4Å; I247-I285 HydrophobicContact CG2-CD1 3.84Å; I247-I285 HydrophobicContact CG2-CG1 4.33Å
248S98.6Very high93.6Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans-141.7150175.360.40000111.8I214 H230 S236 L255 R256 W258I214-S248 WeakPolarHBondContact CD1-OG 3.33Å; H230-S248 PolarHBondContact CD2-OG 3Å; H230-S248 WeakPolarHBondContact NE2-CB 3.4Å; H230-S248 PolarHBondContact NE2-OG 2.78Å; S236-S248 WeakPolarHBondContact O-CA 3.17Å; S248-L255 CarbonylContact O-C 3.27Å; S248-L255 WeakPolarHBondContact O-CA 3.32Å; S248-R256 PolarHBondContact N-O 2.91Å; S248-R256 PolarHBondContact O-N 3.13Å; S248-W258 PolarHBondContact OG-NE1 3.01Å
249T98.5Very high93.4Very high0 Ų030.8 Ų30.80%016%0.16CC..EExtended strand (participates in β ladder)trans-131.1153.1176.7680000112.1I234 Y235 S236 S254 L255 V274 C277 V287I234-T249 VanDerWaalsContact CG2-O 3.27Å; I234-T249 WeakPolarHBondContact CG2-O 3.21Å; Y235-T249 PolarHBondContact N-O 2.83Å; S236-T249 VanDerWaalsContact CB-OG1 3.3Å; S236-T249 WeakPolarHBondContact CB-OG1 3.37Å; S236-T249 PolarHBondContact N-O 3.27Å; S236-T249 PolarHBondContact O-N 2.85Å; T249-S254 VanDerWaalsContact CA-O 3.31Å; T249-S254 WeakPolarHBondContact CA-O 3.49Å; T249-L255 HydrophobicContact CG2-CB 4.4Å; T249-L255 HydrophobicContact CG2-CD1 3.75Å; T249-V274 WeakPolarHBondContact CB-O 3.38Å; T249-V274 HydrophobicContact CG2-CB 4.46Å; T249-V274 HydrophobicContact CG2-CG1 3.6Å; T249-V274 PolarHBondContact OG1-O 2.94Å; T249-C277 HydrophobicContact CG2-CB 3.7Å; T249-V287 HydrophobicContact CG2-CG1 4.16Å
250G93.5Very high93Very high0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-156.7-176.5-17700000117.1Y233 D252 R253 S254 V274Y233-G250 CarbonylContact O-C 3.51Å; Y233-G250 WeakPolarHBondContact O-CA 3.46Å; G250-D252 PolarHBondContact O-N 3.14Å; G250-R253 PolarHBondContact O-N 3.17Å; G250-S254 PolarHBondContact N-O 2.95Å; G250-V274 PolarHBondContact N-O 3.43Å; G250-V274 PolarHBondContact O-N 2.6Å; G250-V274 VanDerWaalsContact O-N 3.09Å
251E91.4Very high92.6Very high22 Ų2238.2 Ų38.210%0.10320%0.198CC..THydrogen-bonded Turntrans-70.5-16.2173.4-167.161.8-161.500112.2N232 Y233 Y235 R253 Q272 S273N232-E251 HydrophobicContact CB-CB 4.14Å; Y233-E251 PolarHBondContact O-N 3.01Å; Y235-E251 HydrophobicContact CE2-CB 3.88Å; Y235-E251 WeakPolarHBondContact CE2-OE2 3.46Å; Y235-E251 VanDerWaalsContact CZ-OE2 3.28Å; Y235-E251 WeakPolarHBondContact OH-CB 3.32Å; Y235-E251 PolarHBondContact OH-OE2 3.43Å; E251-R253 PolarHBondContact O-N 3.49Å; E251-Q272 WeakPolarHBondContact OE1-CG 3.27Å; E251-Q272 PolarHBondContact OE1-NE2 3.01Å; E251-Q272 VanDerWaalsContact OE1-NE2 3.13Å; E251-S273 PolarHBondContact OE1-OG 3.29Å; E251-S273 VanDerWaalsContact OE2-CB 3.3Å; E251-S273 WeakPolarHBondContact OE2-CB 3.47Å; E251-S273 PolarHBondContact OE2-OG 2.81Å
252D85Confident92.6Very high2 Ų241.2 Ų41.21%0.01121%0.205CC..THydrogen-bonded Turntrans-72.422.2169.173.9-9.2000112.8H230 T231 N232 G250 S254 R256 R268H230-D252 WeakPolarHBondContact CA-OD2 3.4Å; H230-D252 IonicContact CE1-OD1 2.73Å; H230-D252 PolarHBondContact CE1-OD1 2.68Å; H230-D252 IonicContact CE1-OD2 3.16Å; H230-D252 IonicContact CG-OD2 3Å; H230-D252 IonicContact ND1-OD1 3.72Å; H230-D252 PolarHBondContact ND1-OD1 3.26Å; H230-D252 IonicContact ND1-OD2 3.52Å; H230-D252 PolarHBondContact ND1-OD2 3.02Å; T231-D252 PolarHBondContact N-OD2 3.28Å; T231-D252 VanDerWaalsContact OG1-CB 3.31Å; T231-D252 WeakPolarHBondContact OG1-CB 3.36Å; T231-D252 PolarHBondContact OG1-OD2 2.94Å; N232-D252 HydrophobicContact CB-CB 4.1Å; G250-D252 PolarHBondContact O-N 3.14Å; D252-S254 PolarHBondContact O-N 3.4Å; D252-S254 WeakPolarHBondContact OD1-CB 3.44Å; D252-S254 PolarHBondContact OD1-N 3.43Å; D252-S254 PolarHBondContact OD1-OG 3.04Å; D252-S254 PolarHBondContact OD2-OG 2.76Å; D252-R256 IonicContact OD2-CZ 2.74Å; D252-R256 IonicContact OD2-NE 2.68Å; D252-R256 PolarHBondContact OD2-NE 2.79Å; D252-R256 IonicContact OD2-NH2 2.86Å; D252-R256 PolarHBondContact OD2-NH2 3.35Å; D252-R268 WeakPolarHBondContact O-CD 3.37Å; D252-R268 PolarHBondContact O-NE 3.06Å; D252-R268 PolarHBondContact O-NH1 3.15Å
253R92.3Very high93.1Very high25 Ų2533.8 Ų33.89%0.09417%0.167CC..SBendtrans55.523177.7-52.4-173.6-66.2137.810.7113.7G250 E251 R268 F269 A271 Q272 V274G250-R253 PolarHBondContact O-N 3.17Å; E251-R253 PolarHBondContact O-N 3.49Å; R253-R268 CarbonylContact O-C 3.6Å; R253-R268 VanDerWaalsContact O-CA 3.31Å; R253-R268 WeakPolarHBondContact O-CA 3.3Å; R253-F269 PolarHBondContact O-N 3.2Å; R253-A271 WeakPolarHBondContact CB-O 3.41Å; R253-A271 VanDerWaalsContact CD-O 3.26Å; R253-A271 WeakPolarHBondContact CD-O 3.33Å; R253-A271 WeakPolarHBondContact CG-O 3.3Å; R253-Q272 VanDerWaalsContact CG-O 3.27Å; R253-Q272 WeakPolarHBondContact CG-O 3.43Å; R253-V274 VanDerWaalsContact C-CG2 3.49Å
254S94.5Very high93.3Very high0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-123.6145.4-171.480.30000114.6H230 T249 G250 D252 R256 I267H230-S254 PolarHBondContact CE1-OG 2.78Å; H230-S254 VanDerWaalsContact CE1-OG 3.26Å; H230-S254 PolarHBondContact ND1-OG 2.82Å; T249-S254 VanDerWaalsContact CA-O 3.31Å; T249-S254 WeakPolarHBondContact CA-O 3.49Å; G250-S254 PolarHBondContact N-O 2.95Å; D252-S254 PolarHBondContact O-N 3.4Å; D252-S254 WeakPolarHBondContact OD1-CB 3.44Å; D252-S254 PolarHBondContact OD1-N 3.43Å; D252-S254 PolarHBondContact OD1-OG 3.04Å; D252-S254 PolarHBondContact OD2-OG 2.76Å; S254-R256 PolarHBondContact OG-NE 2.8Å; S254-I267 CarbonylContact C-O 3.58Å; S254-I267 VanDerWaalsContact CA-O 3.3Å; S254-I267 WeakPolarHBondContact CA-O 3.23Å
255L98.3Very high93.7Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-94.9134.6152170.872.8000107.5I247 S248 T249 I257 I267 F269 I285 V287 F297I247-L255 HydrophobicContact CB-CD1 3.99Å; I247-L255 HydrophobicContact CD1-CD1 4.24Å; S248-L255 CarbonylContact O-C 3.27Å; S248-L255 WeakPolarHBondContact O-CA 3.32Å; T249-L255 HydrophobicContact CG2-CB 4.4Å; T249-L255 HydrophobicContact CG2-CD1 3.75Å; L255-I257 HydrophobicContact CD2-CD1 4.06Å; L255-I257 HydrophobicContact CG-CD1 4.11Å; L255-I267 HydrophobicContact CB-CB 4.39Å; L255-I267 HydrophobicContact CD2-CD1 4.28Å; L255-I267 PolarHBondContact N-O 3.26Å; L255-I267 PolarHBondContact O-N 3.24Å; L255-F269 HydrophobicContact CB-CE2 3.68Å; L255-F269 HydrophobicContact CB-CZ 4.25Å; L255-I285 HydrophobicContact CD1-CG2 4.18Å; L255-I285 HydrophobicContact CD2-CD1 4.07Å; L255-I285 HydrophobicContact CD2-CG2 3.99Å; L255-V287 HydrophobicContact CD1-CG2 4.2Å; L255-V287 HydrophobicContact CD2-CG2 3.99Å; L255-F297 HydrophobicContact CD2-CD2 4.33Å
256R97.3Very high93.6Very high8 Ų828.9 Ų28.93%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-120.3137.4172-63.3-177.8-168.6-1048.5110.3S229 H230 I247 S248 D252 S254 W258 Q265 T266S229-R256 VanDerWaalsContact C-CZ 3.45Å; S229-R256 PolarHBondContact O-NH1 3.4Å; S229-R256 PolarHBondContact O-NH2 3.05Å; S229-R256 PolarHBondContact OG-NH1 3.07Å; H230-R256 PolarHBondContact ND1-NE 3.43Å; I247-R256 VanDerWaalsContact CA-O 3.25Å; I247-R256 WeakPolarHBondContact CA-O 3.3Å; S248-R256 PolarHBondContact N-O 2.91Å; S248-R256 PolarHBondContact O-N 3.13Å; D252-R256 IonicContact OD2-CZ 2.74Å; D252-R256 IonicContact OD2-NE 2.68Å; D252-R256 PolarHBondContact OD2-NE 2.79Å; D252-R256 IonicContact OD2-NH2 2.86Å; D252-R256 PolarHBondContact OD2-NH2 3.35Å; S254-R256 PolarHBondContact OG-NE 2.8Å; R256-W258 HydrophobicContact CB-CZ2 4.49Å; R256-Q265 WeakPolarHBondContact CA-O 3.32Å; R256-T266 HydrophobicContact CG-CG2 4.2Å; R256-T266 PolarHBondContact NH1-OG1 2.92Å
257I97.6Very high93.6Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-107125.9177.4-59.687.9000107.5F7 F240 I247 L255 R259 C263 C264 Q265 I267 I285F7-I257 HydrophobicContact CD2-CD1 4.45Å; F7-I257 HydrophobicContact CD2-CG1 3.92Å; F7-I257 HydrophobicContact CD2-CG2 4.28Å; F7-I257 HydrophobicContact CE2-CG1 4.35Å; F7-I257 HydrophobicContact CE2-CG2 4.12Å; F240-I257 HydrophobicContact CE2-CG2 4.34Å; I247-I257 HydrophobicContact CG2-CG1 4.17Å; L255-I257 HydrophobicContact CD2-CD1 4.06Å; L255-I257 HydrophobicContact CG-CD1 4.11Å; I257-R259 HydrophobicContact CG2-CG 4.48Å; I257-C263 CarbonylContact O-C 3.53Å; I257-C264 PolarHBondContact O-N 2.75Å; I257-C264 PolarHBondContact O-SG 2.79Å; I257-C264 VanDerWaalsContact O-SG 3.4Å; I257-Q265 HydrophobicContact CB-CB 4.29Å; I257-Q265 HydrophobicContact CD1-CB 4.06Å; I257-Q265 HydrophobicContact CD1-CG 4.2Å; I257-Q265 PolarHBondContact N-O 2.76Å; I257-Q265 PolarHBondContact O-N 3.23Å; I257-I267 HydrophobicContact CD1-CD1 4.14Å; I257-I267 HydrophobicContact CD1-CG1 4.22Å; I257-I285 HydrophobicContact CG1-CD1 3.96Å
258W95.7Very high93.3Very high6 Ų630 Ų302%0.02315%0.15CC..EExtended strand (participates in β ladder)trans-114.5119.6-175.2-57.484.7000109.6I214 Y227 D245 F246 S248 R256 E262 C263I214-W258 HydrophobicContact CD1-CZ2 3.75Å; Y227-W258 HydrophobicContact CD1-CE3 4.32Å; Y227-W258 HydrophobicContact CD1-CZ3 4.3Å; Y227-W258 HydrophobicContact CG-CE3 4.47Å; Y227-W258 HydrophobicContact CG-CZ3 4.27Å; D245-W258 WeakPolarHBondContact CA-O 3.39Å; D245-W258 WeakPolarHBondContact CB-O 3.45Å; F246-W258 HydrophobicContact CD1-CB 3.88Å; F246-W258 HydrophobicContact CD1-CG 4.5Å; F246-W258 HydrophobicContact CD2-CB 3.99Å; F246-W258 AromaticContact CD2-CD1 3.5Å; F246-W258 AromaticContact CD2-CG 3.83Å; F246-W258 HydrophobicContact CD2-CG 3.83Å; F246-W258 HydrophobicContact CE1-CB 3.66Å; F246-W258 HydrophobicContact CE1-CG 4.08Å; F246-W258 HydrophobicContact CE2-CB 3.76Å; F246-W258 AromaticContact CE2-CD1 3.24Å; F246-W258 AromaticContact CE2-CD2 3.8Å; F246-W258 HydrophobicContact CE2-CD2 3.8Å; F246-W258 AromaticContact CE2-CE2 3.96Å; F246-W258 AromaticContact CE2-CG 3.32Å; F246-W258 HydrophobicContact CE2-CG 3.32Å; F246-W258 AromaticContact CE2-NE1 3.62Å; F246-W258 HydrophobicContact CG-CB 4.04Å; F246-W258 HydrophobicContact CG-CG 4.38Å; F246-W258 HydrophobicContact CZ-CB 3.59Å; F246-W258 AromaticContact CZ-CD1 3.91Å; F246-W258 AromaticContact CZ-CD2 3.77Å; F246-W258 HydrophobicContact CZ-CD2 3.77Å; F246-W258 HydrophobicContact CZ-CE3 4.26Å; F246-W258 AromaticContact CZ-CG 3.47Å; F246-W258 HydrophobicContact CZ-CG 3.47Å; F246-W258 VanDerWaalsContact CZ-CG 3.47Å; F246-W258 PolarHBondContact N-O 3.5Å; F246-W258 VanDerWaalsContact N-O 3.1Å; F246-W258 WeakPolarHBondContact O-CB 3.35Å; F246-W258 PolarHBondContact O-N 3.18Å; S248-W258 PolarHBondContact OG-NE1 3.01Å; R256-W258 HydrophobicContact CB-CZ2 4.49Å; W258-E262 CarbonylContact C-O 3.51Å; W258-E262 VanDerWaalsContact CA-O 3.28Å; W258-E262 WeakPolarHBondContact CA-O 3.44Å; W258-C263 HydrophobicContact CD2-CB 4.17Å; W258-C263 HydrophobicContact CE3-CB 3.74Å; W258-C263 HydrophobicContact CH2-CB 4.04Å; W258-C263 HydrophobicContact CZ2-CB 4.4Å; W258-C263 HydrophobicContact CZ3-CB 3.66Å
259R92.8Very high93.1Very high71 Ų7130 Ų3027%0.26815%0.15SC..EExtended strand (participates in β ladder)trans-125.9133177.3-70.1-167.9157.8146.31.9110.3D245 I257 G261 E262 C264 E299D245-R259 HydrophobicContact CB-CG 4.33Å; D245-R259 VanDerWaalsContact OD1-CA 3.32Å; D245-R259 WeakPolarHBondContact OD1-CA 3.5Å; D245-R259 WeakPolarHBondContact OD2-CG 3.41Å; D245-R259 IonicContact OD2-NE 2.88Å; I257-R259 HydrophobicContact CG2-CG 4.48Å; R259-G261 PolarHBondContact O-N 2.98Å; R259-E262 PolarHBondContact N-O 3.31Å; R259-E262 PolarHBondContact O-N 2.89Å; R259-C264 HydrophobicContact CB-CB 4.46Å; R259-E299 IonicContact CZ-OE1 3.96Å; R259-E299 IonicContact CZ-OE2 2.73Å; R259-E299 IonicContact NH1-OE1 3.56Å; R259-E299 PolarHBondContact NH1-OE1 2.89Å; R259-E299 IonicContact NH1-OE2 3.82Å; R259-E299 IonicContact NH2-OE1 3.48Å; R259-E299 PolarHBondContact NH2-OE1 2.9Å; R259-E299 IonicContact NH2-OE2 2.8Å; R259-E299 PolarHBondContact NH2-OE2 2.73Å
260Q88.4Confident92.7Very high188 Ų18831.7 Ų31.788%0.87916%0.161SC*.THydrogen-bonded Turntrans54.123.6178.6-54.6-179.56.300114.2D245D245-Q260 PolarHBondContact OD1-N 3.38Å
261G85.9Confident92.5Very high21 Ų2132 Ų3222%0.21616%0.163CC..THydrogen-bonded Turntrans88.82.7-178.800000116.1Y227 R259Y227-G261 WeakPolarHBondContact CD1-O 3.25Å; R259-G261 PolarHBondContact O-N 2.98Å
262E88.3Confident92.3Very high152 Ų15236.1 Ų36.171%0.7118%0.183SC*.EExtended strand (participates in β ladder)trans-111.5148.3174-62.8-168.2163.200111.6W258 R259 C264W258-E262 CarbonylContact C-O 3.51Å; W258-E262 VanDerWaalsContact CA-O 3.28Å; W258-E262 WeakPolarHBondContact CA-O 3.44Å; R259-E262 PolarHBondContact N-O 3.31Å; R259-E262 PolarHBondContact O-N 2.89Å; E262-C264 PolarHBondContact O-N 2.86Å; E262-C264 VanDerWaalsContact O-N 3.12Å
263C91.4Very high92.6Very high27 Ų2736.3 Ų36.318%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-76.893.5171.7175.60000108.9S229 I257 W258S229-C263 WeakPolarHBondContact OG-CB 3.5Å; S229-C263 PolarHBondContact OG-SG 3.43Å; S229-C263 VanDerWaalsContact OG-SG 3.35Å; I257-C263 CarbonylContact O-C 3.53Å; W258-C263 HydrophobicContact CD2-CB 4.17Å; W258-C263 HydrophobicContact CE3-CB 3.74Å; W258-C263 HydrophobicContact CH2-CB 4.04Å; W258-C263 HydrophobicContact CZ2-CB 4.4Å; W258-C263 HydrophobicContact CZ3-CB 3.66Å
264C91.4Very high92.8Very high58 Ų5835.1 Ų35.139%0.39218%0.18SC..EExtended strand (participates in β ladder)trans-81.8-21-174.265.70000113.7I257 R259 E262I257-C264 PolarHBondContact O-N 2.75Å; I257-C264 PolarHBondContact O-SG 2.79Å; I257-C264 VanDerWaalsContact O-SG 3.4Å; R259-C264 HydrophobicContact CB-CB 4.46Å; E262-C264 PolarHBondContact O-N 2.86Å; E262-C264 VanDerWaalsContact O-N 3.12Å
265Q94.8Very high92.9Very high18 Ų1836.9 Ų36.98%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-151.6138.8177.2-173.4-179.50.500112F7 R256 I257 I267 D350F7-Q265 PolarHBondContact O-NE2 3.12Å; R256-Q265 WeakPolarHBondContact CA-O 3.32Å; I257-Q265 HydrophobicContact CB-CB 4.29Å; I257-Q265 HydrophobicContact CD1-CB 4.06Å; I257-Q265 HydrophobicContact CD1-CG 4.2Å; I257-Q265 PolarHBondContact N-O 2.76Å; I257-Q265 PolarHBondContact O-N 3.23Å; Q265-I267 HydrophobicContact CG-CG1 4.22Å; Q265-D350 WeakPolarHBondContact CA-OD1 3.39Å
266T94.3Very high92.9Very high6 Ų637.1 Ų37.14%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-120.4121.5173.4-57.60000110.1R256 D350 Q366R256-T266 HydrophobicContact CG-CG2 4.2Å; R256-T266 PolarHBondContact NH1-OG1 2.92Å; T266-D350 PolarHBondContact N-OD1 3.49Å; T266-Q366 PolarHBondContact O-NE2 3.03Å
267I96.1Very high93Very high15 Ų1537 Ų378%0.07719%0.188CC..EExtended strand (participates in β ladder)trans-110.9116.5176.4-55.5-176.1000108.3F7 S254 L255 I257 Q265 F269 F297F7-I267 HydrophobicContact CB-CD1 3.95Å; F7-I267 WeakPolarHBondContact O-CD1 3.27Å; S254-I267 CarbonylContact C-O 3.58Å; S254-I267 VanDerWaalsContact CA-O 3.3Å; S254-I267 WeakPolarHBondContact CA-O 3.23Å; L255-I267 HydrophobicContact CB-CB 4.39Å; L255-I267 HydrophobicContact CD2-CD1 4.28Å; L255-I267 PolarHBondContact N-O 3.26Å; L255-I267 PolarHBondContact O-N 3.24Å; I257-I267 HydrophobicContact CD1-CD1 4.14Å; I257-I267 HydrophobicContact CD1-CG1 4.22Å; Q265-I267 HydrophobicContact CG-CG1 4.22Å; I267-F269 HydrophobicContact CG2-CE2 4.17Å; I267-F297 HydrophobicContact CD1-CD1 3.75Å; I267-F297 HydrophobicContact CD1-CE1 4.11Å; I267-F297 HydrophobicContact CD1-CG 4.28Å; I267-F297 HydrophobicContact CG2-CD1 4.41Å; I267-F297 HydrophobicContact CG2-CE1 3.71Å; I267-F297 HydrophobicContact CG2-CZ 4.02Å
268R93.7Very high93Very high12 Ų1237.6 Ų37.65%0.04519%0.192CC..EExtended strand (participates in β ladder)trans-87.7150.8174.9-72.4-80.5178.9145.38.9111.5D252 R253 F313 L317 D328 I377D252-R268 WeakPolarHBondContact O-CD 3.37Å; D252-R268 PolarHBondContact O-NE 3.06Å; D252-R268 PolarHBondContact O-NH1 3.15Å; R253-R268 CarbonylContact O-C 3.6Å; R253-R268 VanDerWaalsContact O-CA 3.31Å; R253-R268 WeakPolarHBondContact O-CA 3.3Å; R268-F313 WeakPolarHBondContact O-CZ 3.32Å; R268-L317 HydrophobicContact CB-CD1 3.98Å; R268-L317 HydrophobicContact CB-CD2 4.21Å; R268-D328 IonicContact CZ-OD2 2.73Å; R268-D328 IonicContact NH1-OD2 3.37Å; R268-D328 IonicContact NH2-OD2 3.67Å; R268-D328 PolarHBondContact NH2-OD2 2.78Å; R268-I377 HydrophobicContact CG-CD1 4.48Å
269F93.4Very high93.1Very high0 Ų038 Ų380%020%0.195CC..  trans-115.4150.4-177.5-73-116000110.6R253 L255 I267 A271 V274 V287 R295 F297 L317R253-F269 PolarHBondContact O-N 3.2Å; L255-F269 HydrophobicContact CB-CE2 3.68Å; L255-F269 HydrophobicContact CB-CZ 4.25Å; I267-F269 HydrophobicContact CG2-CE2 4.17Å; F269-A271 PolarHBondContact O-N 3.21Å; F269-V274 HydrophobicContact CB-CG2 4.04Å; F269-V274 HydrophobicContact CD1-CG2 4.46Å; F269-V274 HydrophobicContact CD2-CG2 3.89Å; F269-V274 HydrophobicContact CE2-CG1 4.43Å; F269-V274 HydrophobicContact CG-CG2 3.88Å; F269-V274 HydrophobicContact CZ-CG1 4.45Å; F269-V287 HydrophobicContact CE1-CB 4Å; F269-V287 HydrophobicContact CE1-CG1 3.71Å; F269-V287 HydrophobicContact CE2-CG1 4.44Å; F269-V287 HydrophobicContact CZ-CB 3.84Å; F269-V287 HydrophobicContact CZ-CG1 3.57Å; F269-V287 HydrophobicContact CZ-CG2 4.03Å; F269-R295 HydrophobicContact CE1-CB 4.13Å; F269-R295 HydrophobicContact CE1-CG 4.42Å; F269-F297 AromaticContact CE1-CE2 3.94Å; F269-F297 HydrophobicContact CE1-CE2 3.94Å; F269-F297 HydrophobicContact CE1-CZ 4.07Å; F269-F297 HydrophobicContact CE2-CE2 4.41Å; F269-F297 HydrophobicContact CE2-CZ 4.31Å; F269-F297 AromaticContact CZ-CE2 3.46Å; F269-F297 HydrophobicContact CZ-CE2 3.46Å; F269-F297 VanDerWaalsContact CZ-CE2 3.46Å; F269-F297 AromaticContact CZ-CZ 3.64Å; F269-F297 HydrophobicContact CZ-CZ 3.64Å; F269-L317 WeakPolarHBondContact O-CD1 3.21Å
270P90.6Very high93.3Very high34 Ų3434.7 Ų34.722%0.22118%0.183CC..SBendtrans-74.63172.132.5-36.1000113.5F313 E316 A320P270-F313 HydrophobicContact CG-CE2 4.46Å; P270-E316 HydrophobicContact CB-CB 4.06Å; P270-E316 HydrophobicContact CG-CB 4.11Å; P270-A320 HydrophobicContact CB-CB 4.4Å
271A90.1Very high93.5Very high6 Ų630 Ų305%0.0517%0.169CC..SBendtrans-98.3157.8176.800000111.8R253 F269 A289 D291R253-A271 WeakPolarHBondContact CB-O 3.41Å; R253-A271 VanDerWaalsContact CD-O 3.26Å; R253-A271 WeakPolarHBondContact CD-O 3.33Å; R253-A271 WeakPolarHBondContact CG-O 3.3Å; F269-A271 PolarHBondContact O-N 3.21Å; A271-A289 HydrophobicContact CB-CB 3.74Å; A271-D291 HydrophobicContact CB-CB 4Å
272Q85.7Confident93.8Very high110 Ų11032 Ų3251%0.51417%0.174SC..SBendtrans-73.3-45.5179.7179178.2-2.800113E251 R253 S290E251-Q272 WeakPolarHBondContact OE1-CG 3.27Å; E251-Q272 PolarHBondContact OE1-NE2 3.01Å; E251-Q272 VanDerWaalsContact OE1-NE2 3.13Å; R253-Q272 VanDerWaalsContact CG-O 3.27Å; R253-Q272 WeakPolarHBondContact CG-O 3.43Å; Q272-S290 PolarHBondContact N-OG 2.88Å
273S91Very high94Very high6 Ų626.3 Ų26.34%0.04216%0.156CC..  trans-122.5127-174.9-50.30000110E251 W275 A289 S290E251-S273 PolarHBondContact OE1-OG 3.29Å; E251-S273 VanDerWaalsContact OE2-CB 3.3Å; E251-S273 WeakPolarHBondContact OE2-CB 3.47Å; E251-S273 PolarHBondContact OE2-OG 2.81Å; S273-W275 VanDerWaalsContact CB-CE2 3.4Å; S273-W275 PolarHBondContact O-N 2.78Å; S273-A289 CarbonylContact O-C 3.56Å; S273-A289 VanDerWaalsContact O-CA 3.27Å; S273-A289 WeakPolarHBondContact O-CA 3.45Å; S273-A289 WeakPolarHBondContact O-CB 3.48Å; S273-S290 PolarHBondContact N-OG 3.16Å; S273-S290 PolarHBondContact O-N 3.06Å
274V97.3Very high94.3Very high0 Ų025 Ų250%015%0.148CC..  trans-98.687.4173-167.70000108.1T249 G250 R253 F269 V287T249-V274 WeakPolarHBondContact CB-O 3.38Å; T249-V274 HydrophobicContact CG2-CB 4.46Å; T249-V274 HydrophobicContact CG2-CG1 3.6Å; T249-V274 PolarHBondContact OG1-O 2.94Å; G250-V274 PolarHBondContact N-O 3.43Å; G250-V274 PolarHBondContact O-N 2.6Å; G250-V274 VanDerWaalsContact O-N 3.09Å; R253-V274 VanDerWaalsContact C-CG2 3.49Å; F269-V274 HydrophobicContact CB-CG2 4.04Å; F269-V274 HydrophobicContact CD1-CG2 4.46Å; F269-V274 HydrophobicContact CD2-CG2 3.89Å; F269-V274 HydrophobicContact CE2-CG1 4.43Å; F269-V274 HydrophobicContact CG-CG2 3.88Å; F269-V274 HydrophobicContact CZ-CG1 4.45Å; V274-V287 HydrophobicContact CG1-CG1 3.17Å
275W97.4Very high94.6Very high36 Ų3622.3 Ų22.314%0.13613%0.129CC..  trans-70.7-39.5-164.1-72.4121.8000115D19 V20 Y235 S273 G288D19-W275 PolarHBondContact OD2-NE1 2.97Å; V20-W275 VanDerWaalsContact O-CB 3.32Å; V20-W275 WeakPolarHBondContact O-CB 3.28Å; Y235-W275 WeakPolarHBondContact CB-O 3.34Å; Y235-W275 HydrophobicContact CD1-CZ3 4.26Å; Y235-W275 HydrophobicContact CD2-CD2 4.28Å; Y235-W275 AromaticContact CD2-CE3 3.44Å; Y235-W275 HydrophobicContact CD2-CE3 3.44Å; Y235-W275 VanDerWaalsContact CD2-CE3 3.44Å; Y235-W275 AromaticContact CD2-CZ3 3.68Å; Y235-W275 HydrophobicContact CD2-CZ3 3.68Å; Y235-W275 AromaticContact CE1-CZ3 3.95Å; Y235-W275 HydrophobicContact CE1-CZ3 3.95Å; Y235-W275 HydrophobicContact CE2-CD2 4.35Å; Y235-W275 AromaticContact CE2-CE3 3.56Å; Y235-W275 HydrophobicContact CE2-CE3 3.56Å; Y235-W275 AromaticContact CE2-CH2 3.95Å; Y235-W275 HydrophobicContact CE2-CH2 3.95Å; Y235-W275 AromaticContact CE2-CZ3 3.32Å; Y235-W275 HydrophobicContact CE2-CZ3 3.32Å; Y235-W275 AromaticContact CG-CE3 3.93Å; Y235-W275 HydrophobicContact CG-CE3 3.93Å; Y235-W275 HydrophobicContact CG-CZ3 4.11Å; Y235-W275 AromaticContact CZ-CH2 3.98Å; Y235-W275 AromaticContact CZ-CZ3 3.43Å; Y235-W275 VanDerWaalsContact CZ-CZ3 3.43Å; S273-W275 VanDerWaalsContact CB-CE2 3.4Å; S273-W275 PolarHBondContact O-N 2.78Å; W275-G288 PolarHBondContact N-O 3.02Å
276C98.3Very high94.8Very high5 Ų521.4 Ų21.43%0.03413%0.125CC..EExtended strand (participates in β ladder)trans-149.9151.6-169.259.30000112.8V287 G288C276-V287 WeakPolarHBondContact O-CA 3.2Å; C276-G288 PolarHBondContact N-O 3.4Å; C276-G288 PolarHBondContact O-N 2.93Å
277C98.4Very high95Very high6 Ų621.1 Ų21.14%0.04112%0.123CC..EExtended strand (participates in β ladder)trans-144.8153.3172.959.60000112S236 I247 T249 A286 V287S236-C277 PolarHBondContact OG-N 3.1Å; I247-C277 HydrophobicContact CD1-CB 3.72Å; I247-C277 HydrophobicContact CG1-CB 4.5Å; T249-C277 HydrophobicContact CG2-CB 3.7Å; C277-A286 CarbonylContact C-O 3.58Å; C277-A286 WeakPolarHBondContact CA-O 3.46Å; C277-V287 HydrophobicContact CB-CG2 4.39Å
278C97.9Very high95.1Very high12 Ų1220.4 Ų20.48%0.08112%0.12CC..EExtended strand (participates in β ladder)trans-141.5155.5163.768.20000111.2L23 A286L23-C278 HydrophobicContact CB-CB 4.39Å; C278-A286 PolarHBondContact N-O 2.78Å; C278-A286 PolarHBondContact O-N 2.93Å
279V97.6Very high95.2Very high15 Ų1519.9 Ų19.99%0.09112%0.118CC..EExtended strand (participates in β ladder)trans-93.2124.6172178.70000108.1T25 A238 F240 I247T25-V279 WeakPolarHBondContact CG2-O 3.45Å; A238-V279 HydrophobicContact CB-CG2 4.17Å; F240-V279 HydrophobicContact CD1-CB 4.39Å; F240-V279 HydrophobicContact CD1-CG1 3.52Å; F240-V279 HydrophobicContact CD1-CG2 3.93Å; F240-V279 HydrophobicContact CE1-CG1 3.89Å; F240-V279 HydrophobicContact CE1-CG2 4.02Å; F240-V279 HydrophobicContact CG-CG1 4.35Å; F240-V279 HydrophobicContact CG-CG2 4.22Å; F240-V279 HydrophobicContact CZ-CG2 4.43Å; I247-V279 HydrophobicContact CD1-CG2 3.92Å; I247-V279 HydrophobicContact CG1-CG2 4.26Å
280L96.3Very high95.4Very high1 Ų121.4 Ų21.41%0.00513%0.129CC..  trans-79.2156.5178-58.6-172.2000111.1T25 F33 F55 N282 G283 D284 A286 I296T25-L280 HydrophobicContact CG2-CD2 4.05Å; F33-L280 HydrophobicContact CB-CD2 3.77Å; F33-L280 HydrophobicContact CD1-CD1 4.25Å; F33-L280 HydrophobicContact CD1-CD2 4.04Å; F33-L280 HydrophobicContact CG-CD2 4.12Å; F55-L280 HydrophobicContact CZ-CD1 3.87Å; L280-N282 VanDerWaalsContact CB-OD1 3.3Å; L280-N282 WeakPolarHBondContact CB-OD1 3.38Å; L280-N282 PolarHBondContact O-N 3.32Å; L280-G283 PolarHBondContact O-N 2.76Å; L280-D284 HydrophobicContact CB-CB 4.32Å; L280-D284 HydrophobicContact CD1-CB 4.14Å; L280-D284 HydrophobicContact CG-CB 4.46Å; L280-D284 PolarHBondContact N-O 2.58Å; L280-A286 HydrophobicContact CD2-CB 4.17Å; L280-A286 HydrophobicContact CG-CB 4.35Å; L280-I296 HydrophobicContact CD1-CG2 4.41Å
281P92.6Very high95.5Very high90 Ų9022.6 Ų22.658%0.58413%0.133SC*.THydrogen-bonded Turntrans-58.6-20.3-177.1-26.235.5000115.3
282N92.2Very high95.8Very high63 Ų6322.3 Ų22.334%0.33713%0.131SC..THydrogen-bonded Turntrans-92.39.9178.667.8-7.2000113.8R10 L280 D284 R303R10-N282 PolarHBondContact NH1-ND2 2.85Å; L280-N282 VanDerWaalsContact CB-OD1 3.3Å; L280-N282 WeakPolarHBondContact CB-OD1 3.38Å; L280-N282 PolarHBondContact O-N 3.32Å; N282-D284 VanDerWaalsContact C-N 3.33Å; N282-D284 PolarHBondContact ND2-OD2 3.42Å; N282-D284 PolarHBondContact O-N 2.98Å; N282-D284 WeakPolarHBondContact OD1-CB 3.32Å; N282-D284 PolarHBondContact OD1-N 3.5Å; N282-R303 VanDerWaalsContact CG-NH1 3.33Å; N282-R303 PolarHBondContact ND2-NH1 3.33Å
283G94.1Very high96.4Very high32 Ų3218.8 Ų18.833%0.3312%0.115SC..SBendtrans83.2-4.5-178.400000115.6F7 L280F7-G283 WeakPolarHBondContact CE1-O 3.42Å; L280-G283 PolarHBondContact O-N 2.76Å
284D96.6Very high96.7Very high1 Ų118.5 Ų18.51%0.00511%0.113CC..  trans-71.9156.9177-66.9-12.8000111.5R10 L280 N282 I296 F297 T298 R303R10-D284 WeakPolarHBondContact CD-OD2 3.25Å; R10-D284 IonicContact CZ-OD2 2.84Å; R10-D284 IonicContact NE-OD2 2.63Å; R10-D284 IonicContact NH1-OD2 2.8Å; R10-D284 PolarHBondContact NH1-OD2 3.17Å; L280-D284 HydrophobicContact CB-CB 4.32Å; L280-D284 HydrophobicContact CD1-CB 4.14Å; L280-D284 HydrophobicContact CG-CB 4.46Å; L280-D284 PolarHBondContact N-O 2.58Å; N282-D284 VanDerWaalsContact C-N 3.33Å; N282-D284 PolarHBondContact ND2-OD2 3.42Å; N282-D284 PolarHBondContact O-N 2.98Å; N282-D284 WeakPolarHBondContact OD1-CB 3.32Å; N282-D284 PolarHBondContact OD1-N 3.5Å; D284-I296 HydrophobicContact CB-CG2 4.03Å; D284-F297 CarbonylContact C-O 3.5Å; D284-F297 VanDerWaalsContact CA-O 3.28Å; D284-F297 WeakPolarHBondContact CA-O 3.3Å; D284-F297 WeakPolarHBondContact CB-O 3.1Å; D284-T298 WeakPolarHBondContact OD1-CB 3.36Å; D284-T298 PolarHBondContact OD1-OG1 2.89Å; D284-R303 IonicContact OD1-CZ 3.28Å; D284-R303 IonicContact OD1-NH1 3.49Å; D284-R303 PolarHBondContact OD1-NH1 3.22Å; D284-R303 IonicContact OD1-NH2 3.56Å; D284-R303 IonicContact OD2-CZ 2.99Å; D284-R303 IonicContact OD2-NH1 3.89Å; D284-R303 PolarHBondContact OD2-NH1 2.99Å
285I98.4Very high96.8Very high0 Ų018.6 Ų18.60%011%0.113CC..EExtended strand (participates in β ladder)trans-108122.9177-57.1163.7000108.8F7 F240 I247 L255 I257 V287 I296 F297F7-I285 HydrophobicContact CD1-CD1 3.52Å; F7-I285 HydrophobicContact CD1-CG1 4.02Å; F7-I285 HydrophobicContact CD2-CD1 4.01Å; F7-I285 HydrophobicContact CE1-CD1 3.51Å; F7-I285 HydrophobicContact CE1-CG1 3.67Å; F7-I285 HydrophobicContact CE2-CD1 3.98Å; F7-I285 HydrophobicContact CG-CD1 3.79Å; F7-I285 HydrophobicContact CZ-CD1 3.75Å; F7-I285 HydrophobicContact CZ-CG1 4.11Å; F240-I285 HydrophobicContact CE1-CG1 4.35Å; F240-I285 HydrophobicContact CZ-CD1 4.08Å; F240-I285 HydrophobicContact CZ-CG1 4.14Å; I247-I285 HydrophobicContact CD1-CB 4.39Å; I247-I285 HydrophobicContact CD1-CG1 4.22Å; I247-I285 HydrophobicContact CD1-CG2 3.4Å; I247-I285 HydrophobicContact CG2-CD1 3.84Å; I247-I285 HydrophobicContact CG2-CG1 4.33Å; L255-I285 HydrophobicContact CD1-CG2 4.18Å; L255-I285 HydrophobicContact CD2-CD1 4.07Å; L255-I285 HydrophobicContact CD2-CG2 3.99Å; I257-I285 HydrophobicContact CG1-CD1 3.96Å; I285-V287 HydrophobicContact CG2-CG2 3.7Å; I285-I296 CarbonylContact O-C 3.52Å; I285-I296 VanDerWaalsContact O-CA 3.3Å; I285-I296 WeakPolarHBondContact O-CA 3.35Å; I285-F297 HydrophobicContact CB-CB 4.44Å; I285-F297 PolarHBondContact N-O 3.22Å; I285-F297 PolarHBondContact O-N 2.93Å
286A98.5Very high96.8Very high0 Ų016.9 Ų16.90%011%0.107CC..EExtended strand (participates in β ladder)trans-96135.3167.300000110.1L23 C277 C278 L280 I296L23-A286 HydrophobicContact CD1-CB 4.19Å; C277-A286 CarbonylContact C-O 3.58Å; C277-A286 WeakPolarHBondContact CA-O 3.46Å; C278-A286 PolarHBondContact N-O 2.78Å; C278-A286 PolarHBondContact O-N 2.93Å; L280-A286 HydrophobicContact CD2-CB 4.17Å; L280-A286 HydrophobicContact CG-CB 4.35Å; A286-I296 HydrophobicContact CB-CD1 3.53Å
287V98.8Very high96.8Very high0 Ų016.8 Ų16.80%011%0.106CC..EExtended strand (participates in β ladder)trans-133.7132.1-177.8-172.50000111.3T249 L255 F269 V274 C276 C277 I285 I294 R295 F297T249-V287 HydrophobicContact CG2-CG1 4.16Å; L255-V287 HydrophobicContact CD1-CG2 4.2Å; L255-V287 HydrophobicContact CD2-CG2 3.99Å; F269-V287 HydrophobicContact CE1-CB 4Å; F269-V287 HydrophobicContact CE1-CG1 3.71Å; F269-V287 HydrophobicContact CE2-CG1 4.44Å; F269-V287 HydrophobicContact CZ-CB 3.84Å; F269-V287 HydrophobicContact CZ-CG1 3.57Å; F269-V287 HydrophobicContact CZ-CG2 4.03Å; V274-V287 HydrophobicContact CG1-CG1 3.17Å; C276-V287 WeakPolarHBondContact O-CA 3.2Å; C277-V287 HydrophobicContact CB-CG2 4.39Å; I285-V287 HydrophobicContact CG2-CG2 3.7Å; V287-I294 CarbonylContact O-C 3.44Å; V287-I294 VanDerWaalsContact O-CA 3.3Å; V287-I294 WeakPolarHBondContact O-CA 3.39Å; V287-R295 PolarHBondContact N-O 2.92Å; V287-R295 PolarHBondContact O-N 3.21Å; V287-F297 HydrophobicContact CG2-CD2 4.17Å; V287-F297 HydrophobicContact CG2-CE2 4.17Å
288G98.3Very high96.7Very high0 Ų016.5 Ų16.50%010%0.104CC..EExtended strand (participates in β ladder)trans-112.5134.5175.800000111.9W275 C276W275-G288 PolarHBondContact N-O 3.02Å; C276-G288 PolarHBondContact N-O 3.4Å; C276-G288 PolarHBondContact O-N 2.93Å
289A96.6Very high96.5Very high0 Ų018 Ų180%011%0.11CC..  trans-129.1175.3-174.400000113.5V20 A271 S273 D291 G292V20-A289 PolarHBondContact N-O 3.16Å; A271-A289 HydrophobicContact CB-CB 3.74Å; S273-A289 CarbonylContact O-C 3.56Å; S273-A289 VanDerWaalsContact O-CA 3.27Å; S273-A289 WeakPolarHBondContact O-CA 3.45Å; S273-A289 WeakPolarHBondContact O-CB 3.48Å; A289-D291 PolarHBondContact O-N 3.4Å; A289-G292 PolarHBondContact O-N 2.91Å
290S95.8Very high96.3Very high33 Ų3318.5 Ų18.523%0.23111%0.114CC..THydrogen-bonded Turntrans-67.7-10.7-178.365.70000114.9Q272 S273Q272-S290 PolarHBondContact N-OG 2.88Å; S273-S290 PolarHBondContact N-OG 3.16Å; S273-S290 PolarHBondContact O-N 3.06Å
291D94.6Very high96.1Very high58 Ų5825.8 Ų25.831%0.3115%0.148SC..THydrogen-bonded Turntrans-88.73179.464-7.3000113.9A271 A289 I293 R295A271-D291 HydrophobicContact CB-CB 4Å; A289-D291 PolarHBondContact O-N 3.4Å; D291-I293 PolarHBondContact O-N 3.27Å; D291-I293 PolarHBondContact OD1-N 2.78Å; D291-I293 VanDerWaalsContact OD1-N 3.12Å; D291-R295 IonicContact OD1-NH1 3.43Å; D291-R295 PolarHBondContact OD1-NH1 2.97Å; D291-R295 IonicContact OD2-CZ 2.83Å; D291-R295 IonicContact OD2-NH1 2.76Å; D291-R295 PolarHBondContact OD2-NH1 2.84Å; D291-R295 IonicContact OD2-NH2 3.86Å; D291-R295 PolarHBondContact OD2-NH2 2.81Å
292G95.8Very high96Very high0 Ų027.2 Ų27.20%015%0.151CC..SBendtrans77.2-0-177.900000114.6H16 M18 A289H16-G292 PolarHBondContact N-O 2.77Å; M18-G292 WeakPolarHBondContact O-CA 3.32Å; A289-G292 PolarHBondContact O-N 2.91Å
293I97.3Very high96Very high37 Ų3726.7 Ų26.719%0.1914%0.144CC..  trans-97.4132.3-177.6-57.1176.1000109.9D291 R295D291-I293 PolarHBondContact O-N 3.27Å; D291-I293 PolarHBondContact OD1-N 2.78Å; D291-I293 VanDerWaalsContact OD1-N 3.12Å; I293-R295 HydrophobicContact CG2-CG 3.94Å
294I98.4Very high96Very high0 Ų027.7 Ų27.70%014%0.141CC..EExtended strand (participates in β ladder)trans-94.1126.9169.3-49.6163.1000107.2I13 V20 L23 F33 S35 W45 V287 I296I13-I294 HydrophobicContact CB-CB 4.21Å; I13-I294 PolarHBondContact N-O 2.97Å; I13-I294 PolarHBondContact O-N 3.35Å; V20-I294 HydrophobicContact CG1-CG1 4.09Å; V20-I294 HydrophobicContact CG2-CG1 3.86Å; L23-I294 HydrophobicContact CD2-CG2 4.25Å; F33-I294 HydrophobicContact CE2-CD1 4.17Å; F33-I294 HydrophobicContact CE2-CG2 3.98Å; F33-I294 HydrophobicContact CZ-CG2 4Å; S35-I294 WeakPolarHBondContact OG-CD1 3.17Å; W45-I294 HydrophobicContact CZ2-CD1 4.2Å; V287-I294 CarbonylContact O-C 3.44Å; V287-I294 VanDerWaalsContact O-CA 3.3Å; V287-I294 WeakPolarHBondContact O-CA 3.39Å; I294-I296 HydrophobicContact CG2-CD1 4.16Å
295R98.1Very high95.8Very high1 Ų128.2 Ų28.20%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-115.3132.9178.2-63.6-177.2178.579.1-7.2109.9L9 F269 V287 D291 I293 F297 E316L9-R295 HydrophobicContact CD1-CB 4.11Å; L9-R295 HydrophobicContact CD1-CG 4.48Å; F269-R295 HydrophobicContact CE1-CB 4.13Å; F269-R295 HydrophobicContact CE1-CG 4.42Å; V287-R295 PolarHBondContact N-O 2.92Å; V287-R295 PolarHBondContact O-N 3.21Å; D291-R295 IonicContact OD1-NH1 3.43Å; D291-R295 PolarHBondContact OD1-NH1 2.97Å; D291-R295 IonicContact OD2-CZ 2.83Å; D291-R295 IonicContact OD2-NH1 2.76Å; D291-R295 PolarHBondContact OD2-NH1 2.84Å; D291-R295 IonicContact OD2-NH2 3.86Å; D291-R295 PolarHBondContact OD2-NH2 2.81Å; I293-R295 HydrophobicContact CG2-CG 3.94Å; R295-F297 HydrophobicContact CB-CE2 3.63Å; R295-F297 HydrophobicContact CB-CZ 3.99Å; R295-E316 IonicContact NH2-OE2 2.7Å
296I98.4Very high95.6Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-105.3134.9178.6-47-58.7000108.7R10 C11 I13 F33 F55 L280 D284 I285 A286 I294R10-I296 HydrophobicContact CB-CB 4.25Å; R10-I296 HydrophobicContact CB-CG2 4.19Å; R10-I296 WeakPolarHBondContact CB-O 3.49Å; R10-I296 HydrophobicContact CG-CB 4.44Å; R10-I296 HydrophobicContact CG-CG2 4.27Å; R10-I296 PolarHBondContact N-O 2.87Å; C11-I296 PolarHBondContact N-O 2.83Å; C11-I296 PolarHBondContact O-N 2.89Å; C11-I296 VanDerWaalsContact SG-CG1 3.59Å; I13-I296 HydrophobicContact CD1-CD1 4.15Å; I13-I296 HydrophobicContact CD1-CG1 3.93Å; F33-I296 HydrophobicContact CE1-CD1 3.84Å; F33-I296 HydrophobicContact CZ-CD1 3.89Å; F55-I296 HydrophobicContact CD2-CG1 4.12Å; F55-I296 HydrophobicContact CE2-CD1 4.44Å; F55-I296 HydrophobicContact CE2-CG1 3.87Å; F55-I296 HydrophobicContact CE2-CG2 4.25Å; L280-I296 HydrophobicContact CD1-CG2 4.41Å; D284-I296 HydrophobicContact CB-CG2 4.03Å; I285-I296 CarbonylContact O-C 3.52Å; I285-I296 VanDerWaalsContact O-CA 3.3Å; I285-I296 WeakPolarHBondContact O-CA 3.35Å; A286-I296 HydrophobicContact CB-CD1 3.53Å; I294-I296 HydrophobicContact CG2-CD1 4.16Å
297F98.1Very high95.4Very high3 Ų334.5 Ų34.51%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-122.2145.4177.6-60.4-94.4000111.1F7 K8 L9 L255 I267 F269 D284 I285 V287 R295 F313F7-F297 HydrophobicContact CB-CB 4.23Å; F7-F297 HydrophobicContact CD1-CB 4.19Å; K8-F297 CarbonylContact O-C 3.59Å; K8-F297 WeakPolarHBondContact O-CA 3.1Å; L9-F297 HydrophobicContact CB-CD1 4.47Å; L9-F297 HydrophobicContact CB-CE1 4.3Å; L9-F297 HydrophobicContact CD1-CD1 4.49Å; L9-F297 HydrophobicContact CD1-CE1 3.98Å; L9-F297 HydrophobicContact CD1-CZ 4.05Å; L255-F297 HydrophobicContact CD2-CD2 4.33Å; I267-F297 HydrophobicContact CD1-CD1 3.75Å; I267-F297 HydrophobicContact CD1-CE1 4.11Å; I267-F297 HydrophobicContact CD1-CG 4.28Å; I267-F297 HydrophobicContact CG2-CD1 4.41Å; I267-F297 HydrophobicContact CG2-CE1 3.71Å; I267-F297 HydrophobicContact CG2-CZ 4.02Å; F269-F297 AromaticContact CE1-CE2 3.94Å; F269-F297 HydrophobicContact CE1-CE2 3.94Å; F269-F297 HydrophobicContact CE1-CZ 4.07Å; F269-F297 HydrophobicContact CE2-CE2 4.41Å; F269-F297 HydrophobicContact CE2-CZ 4.31Å; F269-F297 AromaticContact CZ-CE2 3.46Å; F269-F297 HydrophobicContact CZ-CE2 3.46Å; F269-F297 VanDerWaalsContact CZ-CE2 3.46Å; F269-F297 AromaticContact CZ-CZ 3.64Å; F269-F297 HydrophobicContact CZ-CZ 3.64Å; D284-F297 CarbonylContact C-O 3.5Å; D284-F297 VanDerWaalsContact CA-O 3.28Å; D284-F297 WeakPolarHBondContact CA-O 3.3Å; D284-F297 WeakPolarHBondContact CB-O 3.1Å; I285-F297 HydrophobicContact CB-CB 4.44Å; I285-F297 PolarHBondContact N-O 3.22Å; I285-F297 PolarHBondContact O-N 2.93Å; V287-F297 HydrophobicContact CG2-CD2 4.17Å; V287-F297 HydrophobicContact CG2-CE2 4.17Å; R295-F297 HydrophobicContact CB-CE2 3.63Å; R295-F297 HydrophobicContact CB-CZ 3.99Å; F297-F313 HydrophobicContact CZ-CZ 4.42Å
298T96.2Very high95.2Very high0 Ų042.3 Ų42.30%023%0.231CC..EExtended strand (participates in β ladder)trans-139.8150.7-175.9-165.40000112.3F7 K8 R10 D284 S300 R303 M304F7-T298 WeakPolarHBondContact CA-O 3.32Å; K8-T298 PolarHBondContact N-O 3.38Å; K8-T298 PolarHBondContact O-N 3.39Å; R10-T298 HydrophobicContact CB-CG2 3.95Å; D284-T298 WeakPolarHBondContact OD1-CB 3.36Å; D284-T298 PolarHBondContact OD1-OG1 2.89Å; T298-S300 WeakPolarHBondContact CG2-O 3.24Å; T298-S300 VanDerWaalsContact OG1-CB 3.25Å; T298-S300 WeakPolarHBondContact OG1-CB 3.28Å; T298-S300 PolarHBondContact OG1-N 3.25Å; T298-R303 HydrophobicContact CG2-CB 4.03Å; T298-M304 HydrophobicContact CG2-CG 3.97Å
299E94.5Very high94.9Very high44 Ų4446.4 Ų46.421%0.20625%0.252CS..SBendtrans-93.21.1167-71.1-176.6149.300112.6N5 F7 R259N5-E299 HydrophobicContact CB-CB 3.91Å; N5-E299 HydrophobicContact CB-CG 4.29Å; N5-E299 PolarHBondContact ND2-O 2.85Å; F7-E299 HydrophobicContact CD1-CG 3.87Å; F7-E299 HydrophobicContact CD2-CG 3.62Å; F7-E299 WeakPolarHBondContact CD2-OE1 3.32Å; F7-E299 HydrophobicContact CE1-CG 3.8Å; F7-E299 HydrophobicContact CE2-CG 3.57Å; F7-E299 WeakPolarHBondContact CE2-OE1 3.3Å; F7-E299 HydrophobicContact CG-CG 3.78Å; F7-E299 HydrophobicContact CZ-CG 3.65Å; R259-E299 IonicContact CZ-OE1 3.96Å; R259-E299 IonicContact CZ-OE2 2.73Å; R259-E299 IonicContact NH1-OE1 3.56Å; R259-E299 PolarHBondContact NH1-OE1 2.89Å; R259-E299 IonicContact NH1-OE2 3.82Å; R259-E299 IonicContact NH2-OE1 3.48Å; R259-E299 PolarHBondContact NH2-OE1 2.9Å; R259-E299 IonicContact NH2-OE2 2.8Å; R259-E299 PolarHBondContact NH2-OE2 2.73Å
300S93.3Very high94.8Very high26 Ų2648.7 Ų48.718%0.18227%0.265CS..  trans-95.2109.3-172.2-142.80000110T298 D302 R303 M304T298-S300 WeakPolarHBondContact CG2-O 3.24Å; T298-S300 VanDerWaalsContact OG1-CB 3.25Å; T298-S300 WeakPolarHBondContact OG1-CB 3.28Å; T298-S300 PolarHBondContact OG1-N 3.25Å; S300-D302 VanDerWaalsContact CB-OD1 3.24Å; S300-D302 WeakPolarHBondContact CB-OD1 3.41Å; S300-D302 PolarHBondContact O-N 3.47Å; S300-D302 VanDerWaalsContact O-N 3.16Å; S300-D302 PolarHBondContact OG-OD1 3.08Å; S300-R303 VanDerWaalsContact CB-CZ 3.42Å; S300-R303 PolarHBondContact O-N 2.78Å; S300-R303 PolarHBondContact OG-NE 3.16Å; S300-R303 VanDerWaalsContact OG-NE 3.14Å; S300-R303 PolarHBondContact OG-NH2 3.15Å; S300-M304 WeakPolarHBondContact O-CG 3.46Å; S300-M304 PolarHBondContact O-N 2.94Å
301E90.8Very high94.7Very high154 Ų15452 Ų5272%0.7228%0.277SS*.G310 helixtrans-56-32.8-176.9-64.1-175.7167.300113.1R303 M304E301-R303 VanDerWaalsContact C-N 3.28Å; E301-R303 PolarHBondContact O-N 2.57Å; E301-M304 HydrophobicContact CG-CE 4.16Å
302D91.1Very high94.7Very high120 Ų12051.7 Ų51.764%0.64228%0.282SS*.G310 helixtrans-70.4-17.1176.964.7-57000114.5S300S300-D302 VanDerWaalsContact CB-OD1 3.24Å; S300-D302 WeakPolarHBondContact CB-OD1 3.41Å; S300-D302 PolarHBondContact O-N 3.47Å; S300-D302 VanDerWaalsContact O-N 3.16Å; S300-D302 PolarHBondContact OG-OD1 3.08Å
303R92.6Very high94.6Very high52 Ų5252.7 Ų52.720%0.19629%0.286CS..G310 helixtrans-113.20.6179.7-65.9178.2-79.8153.5-8.4113.5R10 N282 D284 T298 S300 E301R10-R303 WeakPolarHBondContact CB-O 3.24Å; R10-R303 VanDerWaalsContact CG-O 3.26Å; R10-R303 WeakPolarHBondContact CG-O 3.26Å; N282-R303 VanDerWaalsContact CG-NH1 3.33Å; N282-R303 PolarHBondContact ND2-NH1 3.33Å; D284-R303 IonicContact OD1-CZ 3.28Å; D284-R303 IonicContact OD1-NH1 3.49Å; D284-R303 PolarHBondContact OD1-NH1 3.22Å; D284-R303 IonicContact OD1-NH2 3.56Å; D284-R303 IonicContact OD2-CZ 2.99Å; D284-R303 IonicContact OD2-NH1 3.89Å; D284-R303 PolarHBondContact OD2-NH1 2.99Å; T298-R303 HydrophobicContact CG2-CB 4.03Å; S300-R303 VanDerWaalsContact CB-CZ 3.42Å; S300-R303 PolarHBondContact O-N 2.78Å; S300-R303 PolarHBondContact OG-NE 3.16Å; S300-R303 VanDerWaalsContact OG-NE 3.14Å; S300-R303 PolarHBondContact OG-NH2 3.15Å; E301-R303 VanDerWaalsContact C-N 3.28Å; E301-R303 PolarHBondContact O-N 2.57Å
304M93.4Very high94.4Very high53 Ų5353.1 Ų53.126%0.26129%0.287SS..PPolyproline II helixtrans-63.5148.1176-66.7-175-175.400110.5K8 T298 S300 E301K8-M304 HydrophobicContact CB-CE 4.25Å; K8-M304 HydrophobicContact CB-CG 4.24Å; K8-M304 HydrophobicContact CB-SD 3.97Å; K8-M304 HydrophobicContact CG-CE 4.12Å; K8-M304 HydrophobicContact CG-SD 4.04Å; T298-M304 HydrophobicContact CG2-CG 3.97Å; S300-M304 WeakPolarHBondContact O-CG 3.46Å; S300-M304 PolarHBondContact O-N 2.94Å; E301-M304 HydrophobicContact CG-CE 4.16Å
305A93.7Very high94.2Very high11 Ų1155.9 Ų55.99%0.09130%0.302CS..PPolyproline II helixtrans-62.9163.6174.800000110.7L9 R10 D309 L310L9-A305 HydrophobicContact CB-CB 4.48Å; L9-A305 HydrophobicContact CG-CB 4.39Å; L9-A305 VanDerWaalsContact O-CB 3.28Å; L9-A305 WeakPolarHBondContact O-CB 3.48Å; L9-A305 PolarHBondContact O-N 3.42Å; R10-A305 WeakPolarHBondContact O-CB 3.18Å; A305-D309 HydrophobicContact CB-CB 3.81Å; A305-L310 HydrophobicContact CB-CG 4.32Å
306S93.4Very high93.9Very high50 Ų5060 Ų6035%0.3532%0.321SS..PPolyproline II helixtrans-62.2159.3176.977.80000111.3E308 D309 L310S306-E308 PolarHBondContact O-N 3.48Å; S306-E308 PolarHBondContact OG-N 2.81Å; S306-D309 WeakPolarHBondContact CB-OD2 3.04Å; S306-D309 PolarHBondContact N-OD2 3.45Å; S306-D309 PolarHBondContact O-N 2.89Å; S306-D309 VanDerWaalsContact O-N 3.16Å; S306-D309 PolarHBondContact OG-N 3.01Å; S306-D309 VanDerWaalsContact OG-N 3.08Å; S306-D309 PolarHBondContact OG-OD2 3.24Å; S306-L310 WeakPolarHBondContact O-CG 3.44Å; S306-L310 PolarHBondContact O-N 3.32Å
307A93.3Very high93.5Very high83 Ų8360.4 Ų60.469%0.68632%0.324SS*.Hα-helixtrans-59-27.6173.400000112.3Q311A307-Q311 VanDerWaalsContact O-CB 3.32Å; A307-Q311 WeakPolarHBondContact O-CB 3.46Å; A307-Q311 PolarHBondContact O-N 3.12Å
308E94.6Very high93.1Very high163 Ų16361.7 Ų61.776%0.76233%0.333SS*.Hα-helixtrans-71.3-44.6176.7-61.9173.3-177.700110.8S306 Q311 A312S306-E308 PolarHBondContact O-N 3.48Å; S306-E308 PolarHBondContact OG-N 2.81Å; E308-Q311 PolarHBondContact O-N 2.77Å; E308-A312 WeakPolarHBondContact O-CB 3.3Å; E308-A312 PolarHBondContact O-N 2.98Å
309D93.3Very high92.7Very high86 Ų8668.1 Ų68.146%0.4636%0.361SS..Hα-helixtrans-68.7-39.3176.7-60.4-57.1000112.6A305 S306 A312 F313A305-D309 HydrophobicContact CB-CB 3.81Å; S306-D309 WeakPolarHBondContact CB-OD2 3.04Å; S306-D309 PolarHBondContact N-OD2 3.45Å; S306-D309 PolarHBondContact O-N 2.89Å; S306-D309 VanDerWaalsContact O-N 3.16Å; S306-D309 PolarHBondContact OG-N 3.01Å; S306-D309 VanDerWaalsContact OG-N 3.08Å; S306-D309 PolarHBondContact OG-OD2 3.24Å; D309-A312 PolarHBondContact O-N 3.43Å; D309-F313 PolarHBondContact O-N 3.01Å
310L93.9Very high92.2Very high49 Ų4966.5 Ų66.526%0.25736%0.355SS..Hα-helixtrans-62.2-44.7174.3-73.2167.3000110.9K8 L9 A305 S306 F313 E314K8-L310 HydrophobicContact CB-CD2 4.43Å; L9-L310 HydrophobicContact CB-CD2 3.87Å; A305-L310 HydrophobicContact CB-CG 4.32Å; S306-L310 WeakPolarHBondContact O-CG 3.44Å; S306-L310 PolarHBondContact O-N 3.32Å; L310-F313 PolarHBondContact O-N 2.87Å; L310-E314 PolarHBondContact O-N 2.93Å; L310-E314 VanDerWaalsContact O-N 3.07Å
311Q94.1Very high91.5Very high103 Ų10369.8 Ų69.848%0.48137%0.374SS..Hα-helixtrans-65.9-39.9174.9-173.960.559.200111.4A307 E308 F313 E314 D315A307-Q311 VanDerWaalsContact O-CB 3.32Å; A307-Q311 WeakPolarHBondContact O-CB 3.46Å; A307-Q311 PolarHBondContact O-N 3.12Å; E308-Q311 PolarHBondContact O-N 2.77Å; Q311-F313 VanDerWaalsContact C-N 3.31Å; Q311-F313 PolarHBondContact O-N 2.83Å; Q311-E314 PolarHBondContact O-N 2.74Å; Q311-D315 PolarHBondContact NE2-OD1 3.45Å; Q311-D315 VanDerWaalsContact O-CB 3.25Å; Q311-D315 WeakPolarHBondContact O-CB 3.35Å; Q311-D315 PolarHBondContact O-N 3.31Å
312A94.4Very high90.7Very high50 Ų5062.8 Ų62.841%0.41334%0.342SS..Hα-helixtrans-59.7-40.6176.400000112.1E308 D309 D315 E316E308-A312 WeakPolarHBondContact O-CB 3.3Å; E308-A312 PolarHBondContact O-N 2.98Å; D309-A312 PolarHBondContact O-N 3.43Å; A312-D315 WeakPolarHBondContact O-CB 3.36Å; A312-D315 PolarHBondContact O-N 3.3Å; A312-E316 WeakPolarHBondContact O-CG 3.3Å; A312-E316 PolarHBondContact O-N 3.32Å
313F94.2Very high89.5Confident21 Ų2159.6 Ų59.69%0.09232%0.324CS..Hα-helixtrans-67.5-42.4175179.1-106.2000113.1L9 R268 P270 F297 D309 L310 Q311 D315 E316 L317L9-F313 HydrophobicContact CD2-CB 3.85Å; L9-F313 HydrophobicContact CD2-CD2 4.47Å; L9-F313 HydrophobicContact CD2-CG 4.1Å; R268-F313 WeakPolarHBondContact O-CZ 3.32Å; P270-F313 HydrophobicContact CG-CE2 4.46Å; F297-F313 HydrophobicContact CZ-CZ 4.42Å; D309-F313 PolarHBondContact O-N 3.01Å; L310-F313 PolarHBondContact O-N 2.87Å; Q311-F313 VanDerWaalsContact C-N 3.31Å; Q311-F313 PolarHBondContact O-N 2.83Å; F313-D315 VanDerWaalsContact C-N 3.28Å; F313-D315 PolarHBondContact O-N 3.15Å; F313-E316 PolarHBondContact O-N 3.27Å; F313-L317 WeakPolarHBondContact O-CB 3.31Å; F313-L317 PolarHBondContact O-N 2.68Å
314E93.3Very high87.9Confident47 Ų4757.8 Ų57.822%0.2232%0.32CS..Hα-helixtrans-62.7-37171.5-77.1-169.8-145.200111.8L310 Q311 L317 S318 R373L310-E314 PolarHBondContact O-N 2.93Å; L310-E314 VanDerWaalsContact O-N 3.07Å; Q311-E314 PolarHBondContact O-N 2.74Å; E314-L317 PolarHBondContact O-N 3Å; E314-S318 VanDerWaalsContact O-CB 3.28Å; E314-S318 WeakPolarHBondContact O-CB 3.45Å; E314-S318 PolarHBondContact O-N 2.96Å; E314-S318 PolarHBondContact O-OG 3.33Å; E314-R373 IonicContact OE1-CZ 3.47Å; E314-R373 IonicContact OE1-NH2 3.4Å; E314-R373 PolarHBondContact OE1-NH2 3.02Å; E314-R373 IonicContact OE2-CZ 3.4Å; E314-R373 IonicContact OE2-NH1 3.82Å; E314-R373 PolarHBondContact OE2-NH1 2.82Å; E314-R373 IonicContact OE2-NH2 3.07Å; E314-R373 PolarHBondContact OE2-NH2 3.28Å
315D92.9Very high85.9Confident58 Ų5862.5 Ų62.531%0.3134%0.338SS..Hα-helixtrans-64.7-46.7176.6-102.549.7000112.2Q311 A312 F313 S318 K319Q311-D315 PolarHBondContact NE2-OD1 3.45Å; Q311-D315 VanDerWaalsContact O-CB 3.25Å; Q311-D315 WeakPolarHBondContact O-CB 3.35Å; Q311-D315 PolarHBondContact O-N 3.31Å; A312-D315 WeakPolarHBondContact O-CB 3.36Å; A312-D315 PolarHBondContact O-N 3.3Å; F313-D315 VanDerWaalsContact C-N 3.28Å; F313-D315 PolarHBondContact O-N 3.15Å; D315-S318 PolarHBondContact O-N 3.31Å; D315-S318 PolarHBondContact O-OG 3.05Å; D315-K319 WeakPolarHBondContact O-CD 3.32Å; D315-K319 WeakPolarHBondContact O-CE 3.38Å; D315-K319 VanDerWaalsContact O-CG 3.24Å; D315-K319 WeakPolarHBondContact O-CG 3.21Å; D315-K319 PolarHBondContact O-N 2.83Å; D315-K319 IonicContact OD2-NZ 3.59Å; D315-K319 PolarHBondContact OD2-NZ 3.24Å
316E92.5Very high83.8Confident87 Ų8764.7 Ų64.741%0.40735%0.351SS..Hα-helixtrans-56.2-50.2171.9-77.8-179.5-175.600110.8P270 R295 A312 F313 S318 K319 A320P270-E316 HydrophobicContact CB-CB 4.06Å; P270-E316 HydrophobicContact CG-CB 4.11Å; R295-E316 IonicContact NH2-OE2 2.7Å; A312-E316 WeakPolarHBondContact O-CG 3.3Å; A312-E316 PolarHBondContact O-N 3.32Å; F313-E316 PolarHBondContact O-N 3.27Å; E316-S318 VanDerWaalsContact C-N 3.35Å; E316-S318 PolarHBondContact O-N 3.19Å; E316-K319 PolarHBondContact O-N 2.85Å; E316-A320 PolarHBondContact O-N 3.06Å; E316-A320 VanDerWaalsContact O-N 3.08Å
317L90.5Very high81.6Confident9 Ų963.4 Ų63.45%0.04735%0.346CS..Hα-helixtrans-63.7-39.1-178.7-17069.9000112.1R268 F269 F313 E314 K319 A320 I377 G378R268-L317 HydrophobicContact CB-CD1 3.98Å; R268-L317 HydrophobicContact CB-CD2 4.21Å; F269-L317 WeakPolarHBondContact O-CD1 3.21Å; F313-L317 WeakPolarHBondContact O-CB 3.31Å; F313-L317 PolarHBondContact O-N 2.68Å; E314-L317 PolarHBondContact O-N 3Å; L317-K319 PolarHBondContact O-N 2.73Å; L317-A320 VanDerWaalsContact O-CB 3.3Å; L317-A320 WeakPolarHBondContact O-CB 3.13Å; L317-A320 PolarHBondContact O-N 2.92Å; L317-I377 HydrophobicContact CD2-CB 4.39Å; L317-I377 HydrophobicContact CD2-CG2 3.93Å; L317-I377 HydrophobicContact CG-CB 4.36Å; L317-I377 HydrophobicContact CG-CG2 4.43Å; L317-I377 CarbonylContact O-C 3.54Å; L317-G378 PolarHBondContact O-N 2.87Å
318S88.8Confident79.4Confident29 Ų2961.9 Ų61.920%0.20333%0.326CS..Hα-helixtrans-66.7-25.2178.278.60000113.7E314 D315 E316 K376E314-S318 VanDerWaalsContact O-CB 3.28Å; E314-S318 WeakPolarHBondContact O-CB 3.45Å; E314-S318 PolarHBondContact O-N 2.96Å; E314-S318 PolarHBondContact O-OG 3.33Å; D315-S318 PolarHBondContact O-N 3.31Å; D315-S318 PolarHBondContact O-OG 3.05Å; E316-S318 VanDerWaalsContact C-N 3.35Å; E316-S318 PolarHBondContact O-N 3.19Å; S318-K376 VanDerWaalsContact O-CE 3.31Å; S318-K376 WeakPolarHBondContact O-CE 3.47Å
319K87.6Confident77.4Confident135 Ų13555.9 Ų55.959%0.58730%0.299SS*.Hα-helixtrans-93.9-9.3178.3-65.5160.4-160.4157.40112.3D315 E316 L317 T321D315-K319 WeakPolarHBondContact O-CD 3.32Å; D315-K319 WeakPolarHBondContact O-CE 3.38Å; D315-K319 VanDerWaalsContact O-CG 3.24Å; D315-K319 WeakPolarHBondContact O-CG 3.21Å; D315-K319 PolarHBondContact O-N 2.83Å; D315-K319 IonicContact OD2-NZ 3.59Å; D315-K319 PolarHBondContact OD2-NZ 3.24Å; E316-K319 PolarHBondContact O-N 2.85Å; L317-K319 PolarHBondContact O-N 2.73Å; K319-T321 PolarHBondContact O-N 3.48Å
320A84.2Confident75.4Confident11 Ų1154 Ų549%0.09130%0.299CS..  trans-62.1135.6-179.800000110.9P270 E316 L317 G378 D379P270-A320 HydrophobicContact CB-CB 4.4Å; E316-A320 PolarHBondContact O-N 3.06Å; E316-A320 VanDerWaalsContact O-N 3.08Å; L317-A320 VanDerWaalsContact O-CB 3.3Å; L317-A320 WeakPolarHBondContact O-CB 3.13Å; L317-A320 PolarHBondContact O-N 2.92Å; A320-G378 CarbonylContact O-C 3.51Å; A320-G378 WeakPolarHBondContact O-CA 3.31Å; A320-D379 PolarHBondContact O-N 2.68Å
321T78.4Confident73.5Confident94 Ų9459.6 Ų59.658%0.57733%0.33SS*.EExtended strand (participates in β ladder)trans-81.2132.9176.4-59.20000109.7K319 V381K319-T321 PolarHBondContact O-N 3.48Å; T321-V381 HydrophobicContact CG2-CB 4.17Å; T321-V381 HydrophobicContact CG2-CG1 3.85Å; T321-V381 HydrophobicContact CG2-CG2 3.26Å
322I73.8Confident72Confident8 Ų856.1 Ų56.14%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-114.1119.1175.2-47174.1000108.3L329 A364 I377 D379 V380 V381I322-L329 HydrophobicContact CG2-CD1 3.88Å; I322-A364 HydrophobicContact CD1-CB 3.34Å; I322-I377 HydrophobicContact CD1-CG1 4.4Å; I322-D379 PolarHBondContact N-O 2.96Å; I322-V380 HydrophobicContact CB-CG2 4.21Å; I322-V380 HydrophobicContact CD1-CG2 4.25Å; I322-V380 WeakPolarHBondContact O-CA 3.3Å; I322-V381 PolarHBondContact O-N 3Å; I322-V381 VanDerWaalsContact O-N 3.08Å
323D66.6Low70.7Confident52 Ų5260.6 Ų60.628%0.27832%0.324SS..  trans-81.1121.4165.1-176.3-17000108.3K325 T326D323-K325 PolarHBondContact O-N 2.74Å; D323-K325 VanDerWaalsContact OD1-CB 3.29Å; D323-K325 WeakPolarHBondContact OD1-CB 3.46Å; D323-K325 PolarHBondContact OD1-N 2.96Å; D323-T326 HydrophobicContact CB-CG2 3.99Å; D323-T326 PolarHBondContact O-N 2.81Å; D323-T326 PolarHBondContact O-OG1 2.95Å
324P58.3Low69.4Low15 Ų1560.8 Ų60.810%0.09733%0.326CS..THydrogen-bonded Turntrans-65.2-19178.728.8-36.6000113.4L329 I332 V380 V381P324-L329 HydrophobicContact CB-CB 4.43Å; P324-I332 HydrophobicContact CB-CD1 3.46Å; P324-I332 VanDerWaalsContact CB-CD1 3.46Å; P324-I332 HydrophobicContact CB-CG1 4.13Å; P324-I332 HydrophobicContact CG-CD1 4.29Å; P324-V380 HydrophobicContact CB-CG1 4Å; P324-V380 HydrophobicContact CG-CG1 4.12Å; P324-V381 WeakPolarHBondContact CD-O 3.41Å
325K52.8Low68.2Low151 Ų15166 Ų6666%0.65735%0.35SS*.THydrogen-bonded Turntrans-80.7-24.2175.7-59.3-174.6176.6-172.50113.5D323D323-K325 PolarHBondContact O-N 2.74Å; D323-K325 VanDerWaalsContact OD1-CB 3.29Å; D323-K325 WeakPolarHBondContact OD1-CB 3.46Å; D323-K325 PolarHBondContact OD1-N 2.96Å
326T48.6Very low67.5Low57 Ų5769 Ų6935%0.3537%0.367SS..SBendtrans-96.46.2-179.871.80000113N232 D323N232-T326 PolarHBondContact ND2-O 3.43Å; N232-T326 VanDerWaalsContact ND2-O 3.09Å; D323-T326 HydrophobicContact CB-CG2 3.99Å; D323-T326 PolarHBondContact O-N 2.81Å; D323-T326 PolarHBondContact O-OG1 2.95Å
327G48.3Very low67Low24 Ų2466.3 Ų66.325%0.24736%0.355CS..SBendtrans-144.5177.4-173.900000114.4L329G327-L329 PolarHBondContact O-N 2.69Å
328D46.5Very low66.7Low51 Ų5167.7 Ų67.727%0.27336%0.364SS..THydrogen-bonded Turntrans-59.58.3-170.2-18.7-30.5000116.2T231 R268T231-D328 WeakPolarHBondContact CB-OD1 3.35Å; T231-D328 HydrophobicContact CG2-CB 3.95Å; T231-D328 PolarHBondContact OG1-OD1 3.14Å; T231-D328 PolarHBondContact OG1-OD2 2.55Å; R268-D328 IonicContact CZ-OD2 2.73Å; R268-D328 IonicContact NH1-OD2 3.37Å; R268-D328 IonicContact NH2-OD2 3.67Å; R268-D328 PolarHBondContact NH2-OD2 2.78Å
329L51.9Low66.7Low37 Ų3767.1 Ų67.119%0.19436%0.363CS..THydrogen-bonded Turntrans-102.9-25.2-160.4-57.8178.1000113.2I322 P324 G327 I332 L355 V380I322-L329 HydrophobicContact CG2-CD1 3.88Å; P324-L329 HydrophobicContact CB-CB 4.43Å; G327-L329 PolarHBondContact O-N 2.69Å; L329-I332 HydrophobicContact CB-CD1 4.17Å; L329-I332 HydrophobicContact CB-CG1 4.37Å; L329-I332 HydrophobicContact CD1-CD1 4.48Å; L329-L355 HydrophobicContact CB-CD1 4.31Å; L329-L355 HydrophobicContact CD1-CD1 4.46Å; L329-L355 HydrophobicContact CD1-CD2 3.92Å; L329-L355 HydrophobicContact CD2-CD1 4.05Å; L329-L355 HydrophobicContact CD2-CD2 3.79Å; L329-L355 HydrophobicContact CD2-CG 3.93Å; L329-L355 HydrophobicContact CG-CD1 4.49Å; L329-L355 HydrophobicContact CG-CD2 4.43Å; L329-V380 HydrophobicContact CD1-CG1 4.4Å; L329-V380 HydrophobicContact CD1-CG2 4.12Å
330G51.5Low66.8Low45 Ų4565.6 Ų65.646%0.46435%0.354SS..  trans61.1-156177.600000114I332G330-I332 PolarHBondContact O-N 3.03Å
331D55Low67Low167 Ų16770.3 Ų70.389%0.89337%0.374SS*.SBendtrans-7298.6177.5-71.6-38.5000111.6K333D331-K333 PolarHBondContact O-N 2.76Å
332I62.7Low67.4Low31 Ų3169 Ų6916%0.15936%0.361CS..  trans-76.4108.9-178.6-60.2173.3000111.3P324 L329 G330 L334 L337 L355 V380P324-I332 HydrophobicContact CB-CD1 3.46Å; P324-I332 VanDerWaalsContact CB-CD1 3.46Å; P324-I332 HydrophobicContact CB-CG1 4.13Å; P324-I332 HydrophobicContact CG-CD1 4.29Å; L329-I332 HydrophobicContact CB-CD1 4.17Å; L329-I332 HydrophobicContact CB-CG1 4.37Å; L329-I332 HydrophobicContact CD1-CD1 4.48Å; G330-I332 PolarHBondContact O-N 3.03Å; I332-L334 PolarHBondContact O-N 3.48Å; I332-L337 HydrophobicContact CG2-CD1 3.65Å; I332-L337 HydrophobicContact CG2-CD2 4.11Å; I332-L337 HydrophobicContact CG2-CG 4.04Å; I332-L355 HydrophobicContact CD1-CD1 3.45Å; I332-L355 VanDerWaalsContact CD1-CD1 3.45Å; I332-L355 HydrophobicContact CG1-CD1 3.69Å; I332-L355 HydrophobicContact CG2-CD1 4.25Å; I332-V380 HydrophobicContact CD1-CG1 3.69Å
333K67.1Low68.2Low144 Ų14470.5 Ų70.563%0.62637%0.369SS*.  trans-81.299.9165.7-67.2-179.7-178176.60110.8D331 E335 D336D331-K333 PolarHBondContact O-N 2.76Å; K333-E335 PolarHBondContact O-N 3.19Å; K333-D336 HydrophobicContact CB-CB 4.23Å; K333-D336 VanDerWaalsContact CB-OD2 3.32Å; K333-D336 WeakPolarHBondContact CB-OD2 3.49Å; K333-D336 WeakPolarHBondContact CD-OD2 3.47Å; K333-D336 PolarHBondContact O-N 2.75Å
334L65.9Low69.3Low25 Ų2574.6 Ų74.613%0.13139%0.39CS..THydrogen-bonded Turntrans-55.4-22178.8-73136.4000115I332 K357 V362 G383I332-L334 PolarHBondContact O-N 3.48Å; L334-K357 WeakPolarHBondContact O-CD 3.4Å; L334-K357 WeakPolarHBondContact O-CE 3.39Å; L334-K357 PolarHBondContact O-NZ 2.86Å; L334-V362 HydrophobicContact CD2-CG2 3.44Å; L334-V362 VanDerWaalsContact CD2-CG2 3.44Å; L334-G383 VanDerWaalsContact CD1-C 3.47Å; L334-G383 WeakPolarHBondContact CD1-O 3.27Å; L334-G383 VanDerWaalsContact CD2-O 3.31Å; L334-G383 WeakPolarHBondContact CD2-O 2.99Å
335E68.8Low70.9Confident155 Ų15578.6 Ų78.672%0.72441%0.408SS*.THydrogen-bonded Turntrans-79.1-29179.8-62.8-178.8-166.500112K333K333-E335 PolarHBondContact O-N 3.19Å
336D77.1Confident72.7Confident122 Ų12275.9 Ų75.965%0.65241%0.406SS*.THydrogen-bonded Turntrans-93.3-3.3-178.1-60-40.1000113K333K333-D336 HydrophobicContact CB-CB 4.23Å; K333-D336 VanDerWaalsContact CB-OD2 3.32Å; K333-D336 WeakPolarHBondContact CB-OD2 3.49Å; K333-D336 WeakPolarHBondContact CD-OD2 3.47Å; K333-D336 PolarHBondContact O-N 2.75Å
337L81.8Confident74.6Confident30 Ų3073.8 Ų73.816%0.15740%0.396CS..  trans-74.9133.2-176-74.7-174.9000113I332 L355 K357 V362I332-L337 HydrophobicContact CG2-CD1 3.65Å; I332-L337 HydrophobicContact CG2-CD2 4.11Å; I332-L337 HydrophobicContact CG2-CG 4.04Å; L337-L355 HydrophobicContact CD2-CB 3.69Å; L337-L355 HydrophobicContact CD2-CD1 4.18Å; L337-K357 HydrophobicContact CB-CB 4.05Å; L337-V362 HydrophobicContact CD1-CB 4.22Å; L337-V362 HydrophobicContact CD1-CG1 3.67Å; L337-V362 HydrophobicContact CD1-CG2 3.45Å; L337-V362 VanDerWaalsContact CD1-CG2 3.45Å
338P85.4Confident76.4Confident38 Ų3879 Ų7925%0.24742%0.418CS..  trans-66.5152.417725.5-31.9000112.8H342 L355 I356 K357P338-H342 HydrophobicContact CB-CB 3.99Å; P338-H342 VanDerWaalsContact CB-CE1 3.49Å; P338-H342 WeakPolarHBondContact CB-CE1 3.01Å; P338-H342 WeakPolarHBondContact CB-ND1 3.45Å; P338-L355 WeakPolarHBondContact CD-O 3.41Å; P338-L355 WeakPolarHBondContact CG-O 3.49Å; P338-I356 HydrophobicContact CG-CD1 4.35Å; P338-I356 WeakPolarHBondContact O-CA 3.4Å; P338-K357 PolarHBondContact O-N 2.9Å
339G87.9Confident78.3Confident17 Ų1784.7 Ų84.718%0.17544%0.436CS..  trans-82.9176.817000000112.5E341 H342G339-E341 VanDerWaalsContact C-OE1 3.28Å; G339-E341 WeakPolarHBondContact CA-OE1 3.41Å; G339-E341 VanDerWaalsContact CA-OE2 3.29Å; G339-E341 WeakPolarHBondContact CA-OE2 3.42Å; G339-E341 PolarHBondContact N-OE1 3Å; G339-E341 PolarHBondContact O-N 2.92Å; G339-E341 VanDerWaalsContact O-N 3.08Å; G339-H342 PolarHBondContact O-N 2.61Å; G339-H342 VanDerWaalsContact O-N 3.15Å; G339-H342 PolarHBondContact O-ND1 2.83Å
340R89.8Confident80Confident104 Ų10483.8 Ų83.839%0.39243%0.431SS..G310 helixtrans-57.8-23.3-176.7-86-175163145.51.6114.3H342 L343 I356 D358 E363R340-H342 PolarHBondContact O-N 3.4Å; R340-H342 VanDerWaalsContact O-N 3.15Å; R340-L343 HydrophobicContact CG-CD1 4.45Å; R340-L343 WeakPolarHBondContact O-CB 3.23Å; R340-L343 PolarHBondContact O-N 3.41Å; R340-I356 HydrophobicContact CB-CG2 4.26Å; R340-I356 HydrophobicContact CG-CG2 3.57Å; R340-D358 IonicContact CZ-OD1 3.2Å; R340-D358 IonicContact CZ-OD2 3.97Å; R340-D358 IonicContact NE-OD1 2.81Å; R340-D358 IonicContact NH1-OD1 3.23Å; R340-D358 PolarHBondContact NH1-OD1 2.82Å; R340-D358 IonicContact NH1-OD2 2.68Å; R340-D358 PolarHBondContact NH1-OD2 3.42Å; R340-D358 IonicContact NH2-OD2 3.99Å; R340-D358 PolarHBondContact NH2-OD2 3.18Å; R340-E363 IonicContact CZ-OE2 3.43Å; R340-E363 IonicContact NE-OE2 3.47Å; R340-E363 PolarHBondContact NE-OE2 3.04Å; R340-E363 VanDerWaalsContact NH2-CD 3.26Å; R340-E363 IonicContact NH2-OE1 2.71Å; R340-E363 PolarHBondContact NH2-OE1 2.96Å; R340-E363 VanDerWaalsContact NH2-OE1 3.16Å; R340-E363 IonicContact NH2-OE2 2.78Å; R340-E363 PolarHBondContact NH2-OE2 3.29Å
341E88.4Confident81.6Confident109 Ų10982.1 Ų82.151%0.50941%0.414SS..G310 helixtrans-56.6-27176.366.6-66.1150.600113.7G339 L343 N344G339-E341 VanDerWaalsContact C-OE1 3.28Å; G339-E341 WeakPolarHBondContact CA-OE1 3.41Å; G339-E341 VanDerWaalsContact CA-OE2 3.29Å; G339-E341 WeakPolarHBondContact CA-OE2 3.42Å; G339-E341 PolarHBondContact N-OE1 3Å; G339-E341 PolarHBondContact O-N 2.92Å; G339-E341 VanDerWaalsContact O-N 3.08Å; E341-L343 VanDerWaalsContact C-N 3.26Å; E341-L343 PolarHBondContact O-N 3.23Å; E341-N344 WeakPolarHBondContact O-CB 3.36Å; E341-N344 PolarHBondContact O-N 3.14Å; E341-N344 PolarHBondContact O-ND2 2.73Å
342H86.9Confident83Confident68 Ų6876 Ų7632%0.31538%0.38SS..G310 helixtrans-70.5-19.6177-69.974.7000113.2P338 G339 R340 N344 E345 R354 I356P338-H342 HydrophobicContact CB-CB 3.99Å; P338-H342 VanDerWaalsContact CB-CE1 3.49Å; P338-H342 WeakPolarHBondContact CB-CE1 3.01Å; P338-H342 WeakPolarHBondContact CB-ND1 3.45Å; G339-H342 PolarHBondContact O-N 2.61Å; G339-H342 VanDerWaalsContact O-N 3.15Å; G339-H342 PolarHBondContact O-ND1 2.83Å; R340-H342 PolarHBondContact O-N 3.4Å; R340-H342 VanDerWaalsContact O-N 3.15Å; H342-N344 PolarHBondContact O-N 3.47Å; H342-E345 PolarHBondContact O-N 3.03Å; H342-E345 VanDerWaalsContact O-N 3.15Å; H342-R354 PolarHBondContact O-NH1 2.84Å; H342-I356 HydrophobicContact CB-CD1 4.32Å
343L90.2Very high84.2Confident38 Ų3876.7 Ų76.720%0.19939%0.385CS..G310 helixtrans-70.1-10.7173.6-61177.3000113.1R340 E341 E345 I356 Y365 W374R340-L343 HydrophobicContact CG-CD1 4.45Å; R340-L343 WeakPolarHBondContact O-CB 3.23Å; R340-L343 PolarHBondContact O-N 3.41Å; E341-L343 VanDerWaalsContact C-N 3.26Å; E341-L343 PolarHBondContact O-N 3.23Å; L343-E345 VanDerWaalsContact C-N 3.29Å; L343-I356 HydrophobicContact CD1-CG1 4.16Å; L343-I356 HydrophobicContact CD2-CD1 3.81Å; L343-I356 HydrophobicContact CD2-CG1 3.72Å; L343-I356 HydrophobicContact CG-CD1 3.89Å; L343-I356 HydrophobicContact CG-CG1 3.91Å; L343-Y365 HydrophobicContact CD1-CD1 4.01Å; L343-Y365 HydrophobicContact CD1-CD2 4.08Å; L343-Y365 HydrophobicContact CD1-CE1 3.7Å; L343-Y365 HydrophobicContact CD1-CE2 3.76Å; L343-Y365 HydrophobicContact CD1-CG 4.19Å; L343-Y365 HydrophobicContact CD2-CD1 4.1Å; L343-Y365 HydrophobicContact CD2-CD2 4.07Å; L343-Y365 HydrophobicContact CD2-CG 3.79Å; L343-W374 HydrophobicContact CB-CG 4.49Å; L343-W374 HydrophobicContact CD2-CB 3.81Å; L343-W374 HydrophobicContact CD2-CD2 3.94Å; L343-W374 HydrophobicContact CD2-CE3 4.43Å; L343-W374 HydrophobicContact CD2-CG 3.62Å
344N90.4Very high85.1Confident138 Ų13872 Ų7274%0.73836%0.364SS*.G310 helixtrans-76.1-18.9171.6-59.5-59.6000112.6E341 H342E341-N344 WeakPolarHBondContact O-CB 3.36Å; E341-N344 PolarHBondContact O-N 3.14Å; E341-N344 PolarHBondContact O-ND2 2.73Å; H342-N344 PolarHBondContact O-N 3.47Å
345E91.4Very high86.1Confident100 Ų10071.9 Ų71.947%0.46736%0.363SS..SBendtrans-83.6128174.4-60.2179.6164.300109.9H342 L343 R354 W374H342-E345 PolarHBondContact O-N 3.03Å; H342-E345 VanDerWaalsContact O-N 3.15Å; L343-E345 VanDerWaalsContact C-N 3.29Å; E345-R354 PolarHBondContact O-NH1 3.46Å; E345-R354 IonicContact OE2-CZ 3.74Å; E345-R354 IonicContact OE2-NH2 2.73Å; E345-R354 PolarHBondContact OE2-NH2 3.38Å; E345-W374 PolarHBondContact O-NE1 3.12Å
346P90.7Very high87.1Confident94 Ų9464.5 Ų64.561%0.6133%0.329SS*.PPolyproline II helixtrans-65.9146.7176.228.5-34.7000111.5W367P346-W367 VanDerWaalsContact CA-CH2 3.48Å; P346-W367 HydrophobicContact CB-CH2 3.48Å; P346-W367 VanDerWaalsContact CB-CH2 3.48Å; P346-W367 HydrophobicContact CB-CZ2 3.64Å; P346-W367 HydrophobicContact CB-CZ3 4.21Å
347G88.4Confident87.5Confident13 Ų1362.4 Ų62.413%0.13431%0.314CS..PPolyproline II helixtrans-70.4159.3171.400000112.8W367G347-W367 VanDerWaalsContact N-CE2 3.32Å; G347-W367 PolarHBondContact O-NE1 3.09Å
348N87.2Confident87.6Confident134 Ų13463.9 Ų63.972%0.71732%0.322SS*.SBendtrans-97.8-14.4-175.468.32.4000114.5Q352N348-Q352 PolarHBondContact OD1-OE1 3.44Å; N348-Q352 VanDerWaalsContact OD1-OE1 3.09Å
349R85.4Confident87.3Confident170 Ų17065 Ų6564%0.64234%0.34SS*.SBendtrans-152.8154.8175.767.4-176.5-178.6173.71.8110.6Q352R349-Q352 HydrophobicContact CG-CB 4.09Å; R349-Q352 WeakPolarHBondContact O-CB 3.5Å; R349-Q352 PolarHBondContact O-N 3.02Å
350D87.5Confident86.7Confident18 Ų1873.5 Ų73.510%0.09638%0.375CS..THydrogen-bonded Turntrans-63.7144.5174.2-161.8-94.3000110.9Q265 T266 Q352 V369Q265-D350 WeakPolarHBondContact CA-OD1 3.39Å; T266-D350 PolarHBondContact N-OD1 3.49Å; D350-Q352 PolarHBondContact O-N 3.34Å; D350-V369 HydrophobicContact CB-CB 4.13Å; D350-V369 HydrophobicContact CB-CG2 3.7Å; D350-V369 PolarHBondContact OD2-N 3.49Å
351G85.1Confident86.3Confident10 Ų1074.1 Ų74.110%0.10338%0.381CS..THydrogen-bonded Turntrans74.42.7-177.500000114.8T353 W367G351-T353 PolarHBondContact O-N 3.44Å; G351-W367 PolarHBondContact N-O 3.26Å; G351-W367 VanDerWaalsContact N-O 3.1Å
352Q85.6Confident86.1Confident38 Ų3869.1 Ų69.118%0.17836%0.358CS..  trans-58.5127.3171.1-176.2-174.61.100109.5N348 R349 D350 Q366 W367 W374N348-Q352 PolarHBondContact OD1-OE1 3.44Å; N348-Q352 VanDerWaalsContact OD1-OE1 3.09Å; R349-Q352 HydrophobicContact CG-CB 4.09Å; R349-Q352 WeakPolarHBondContact O-CB 3.5Å; R349-Q352 PolarHBondContact O-N 3.02Å; D350-Q352 PolarHBondContact O-N 3.34Å; Q352-Q366 CarbonylContact O-C 3.54Å; Q352-Q366 WeakPolarHBondContact O-CA 3.49Å; Q352-W367 HydrophobicContact CB-CB 4.18Å; Q352-W367 PolarHBondContact O-N 3.36Å; Q352-W374 HydrophobicContact CB-CH2 4.34Å; Q352-W374 HydrophobicContact CG-CH2 4.03Å; Q352-W374 VanDerWaalsContact O-CZ3 3.28Å; Q352-W374 WeakPolarHBondContact O-CZ3 3.31Å
353T86.7Confident86.3Confident45 Ų4566.4 Ų66.428%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-95.1149.3174.949.80000111.6G351 Y365 I377G351-T353 PolarHBondContact O-N 3.44Å; T353-Y365 CarbonylContact C-O 3.52Å; T353-Y365 VanDerWaalsContact CA-O 3.27Å; T353-Y365 WeakPolarHBondContact CA-O 3.48Å; T353-I377 HydrophobicContact CG2-CD1 4.18Å
354R87.3Confident86.2Confident46 Ų4664.7 Ų64.717%0.17434%0.336CS..EExtended strand (participates in β ladder)trans-136.3141.7167.4-84.7-176.7171.6165.1-16.8109.6H342 E345 Y365 W374H342-R354 PolarHBondContact O-NH1 2.84Å; E345-R354 PolarHBondContact O-NH1 3.46Å; E345-R354 IonicContact OE2-CZ 3.74Å; E345-R354 IonicContact OE2-NH2 2.73Å; E345-R354 PolarHBondContact OE2-NH2 3.38Å; R354-Y365 PolarHBondContact N-O 2.99Å; R354-Y365 PolarHBondContact O-N 3.11Å; R354-W374 HydrophobicContact CB-CE3 4.27Å; R354-W374 HydrophobicContact CB-CH2 4.11Å; R354-W374 HydrophobicContact CB-CZ3 3.75Å; R354-W374 VanDerWaalsContact CD-CH2 3.41Å; R354-W374 VanDerWaalsContact CD-CZ2 3.49Å; R354-W374 HydrophobicContact CG-CH2 3.51Å; R354-W374 HydrophobicContact CG-CZ2 4.14Å; R354-W374 HydrophobicContact CG-CZ3 3.7Å
355L87Confident86.2Confident23 Ų2359.3 Ų59.312%0.1231%0.306CS..EExtended strand (participates in β ladder)trans-100.5129.1169.5-66.2-175.9000109.1L329 I332 L337 P338 V362 A364 V380L329-L355 HydrophobicContact CB-CD1 4.31Å; L329-L355 HydrophobicContact CD1-CD1 4.46Å; L329-L355 HydrophobicContact CD1-CD2 3.92Å; L329-L355 HydrophobicContact CD2-CD1 4.05Å; L329-L355 HydrophobicContact CD2-CD2 3.79Å; L329-L355 HydrophobicContact CD2-CG 3.93Å; L329-L355 HydrophobicContact CG-CD1 4.49Å; L329-L355 HydrophobicContact CG-CD2 4.43Å; I332-L355 HydrophobicContact CD1-CD1 3.45Å; I332-L355 VanDerWaalsContact CD1-CD1 3.45Å; I332-L355 HydrophobicContact CG1-CD1 3.69Å; I332-L355 HydrophobicContact CG2-CD1 4.25Å; L337-L355 HydrophobicContact CD2-CB 3.69Å; L337-L355 HydrophobicContact CD2-CD1 4.18Å; P338-L355 WeakPolarHBondContact CD-O 3.41Å; P338-L355 WeakPolarHBondContact CG-O 3.49Å; L355-V362 HydrophobicContact CB-CG1 4.15Å; L355-V362 HydrophobicContact CD1-CG1 4.47Å; L355-V362 HydrophobicContact CD2-CG1 4.16Å; L355-A364 HydrophobicContact CD2-CB 3.83Å; L355-V380 HydrophobicContact CD2-CG2 3.75Å
356I88.6Confident86.2Confident0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-121.3131.5-176.4-59.9-62.5000108.8P338 R340 H342 L343 V362 E363 Y365P338-I356 HydrophobicContact CG-CD1 4.35Å; P338-I356 WeakPolarHBondContact O-CA 3.4Å; R340-I356 HydrophobicContact CB-CG2 4.26Å; R340-I356 HydrophobicContact CG-CG2 3.57Å; H342-I356 HydrophobicContact CB-CD1 4.32Å; L343-I356 HydrophobicContact CD1-CG1 4.16Å; L343-I356 HydrophobicContact CD2-CD1 3.81Å; L343-I356 HydrophobicContact CD2-CG1 3.72Å; L343-I356 HydrophobicContact CG-CD1 3.89Å; L343-I356 HydrophobicContact CG-CG1 3.91Å; I356-V362 WeakPolarHBondContact O-CA 3.33Å; I356-E363 PolarHBondContact N-O 3.07Å; I356-E363 PolarHBondContact O-N 3.5Å; I356-Y365 HydrophobicContact CB-CD2 4.04Å; I356-Y365 HydrophobicContact CB-CE2 4Å; I356-Y365 HydrophobicContact CG1-CD2 3.61Å; I356-Y365 HydrophobicContact CG1-CE2 3.96Å; I356-Y365 HydrophobicContact CG2-CE2 4.49Å
357K86.2Confident86.3Confident78 Ų7851.9 Ų51.934%0.33926%0.262SS..EExtended strand (participates in β ladder)trans-86.6112.7174.6-171.2176.1-174.1170.90109.8L334 L337 P338L334-K357 WeakPolarHBondContact O-CD 3.4Å; L334-K357 WeakPolarHBondContact O-CE 3.39Å; L334-K357 PolarHBondContact O-NZ 2.86Å; L337-K357 HydrophobicContact CB-CB 4.05Å; P338-K357 PolarHBondContact O-N 2.9Å
358D83.2Confident86.5Confident60 Ų6051.8 Ų51.832%0.32126%0.26SS..EExtended strand (participates in β ladder)trans-11291173.5-166.140.2000109.7R340 Q360 K361 E363R340-D358 IonicContact CZ-OD1 3.2Å; R340-D358 IonicContact CZ-OD2 3.97Å; R340-D358 IonicContact NE-OD1 2.81Å; R340-D358 IonicContact NH1-OD1 3.23Å; R340-D358 PolarHBondContact NH1-OD1 2.82Å; R340-D358 IonicContact NH1-OD2 2.68Å; R340-D358 PolarHBondContact NH1-OD2 3.42Å; R340-D358 IonicContact NH2-OD2 3.99Å; R340-D358 PolarHBondContact NH2-OD2 3.18Å; D358-Q360 PolarHBondContact O-N 3.34Å; D358-Q360 VanDerWaalsContact O-N 3.1Å; D358-K361 PolarHBondContact N-O 3.21Å; D358-K361 PolarHBondContact O-N 3.37Å; D358-E363 HydrophobicContact CB-CG 4.34Å
359G80.2Confident86.6Confident62 Ų6249.4 Ų49.464%0.63925%0.25SC*.THydrogen-bonded Turntrans64.5-108.4-174.200000112.5
360Q73.8Confident86.6Confident196 Ų19643.9 Ų43.992%0.91624%0.237SC*.THydrogen-bonded Turntrans-99-4.1175.4-71.6-169.6-18.700113.6D358D358-Q360 PolarHBondContact O-N 3.34Å; D358-Q360 VanDerWaalsContact O-N 3.1Å
361K81.8Confident86.5Confident116 Ų11646 Ų4650%0.50425%0.249SC..EExtended strand (participates in β ladder)trans-96.5153.9177-70.4-170.8167.9-158.70111.3D358 D379D358-K361 PolarHBondContact N-O 3.21Å; D358-K361 PolarHBondContact O-N 3.37Å; K361-D379 IonicContact NZ-OD2 3.88Å; K361-D379 PolarHBondContact NZ-OD2 3.38Å
362V85.4Confident86.8Confident4 Ų448 Ų482%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-110.9121.5164.7178.80000107.5L334 L337 L355 I356 V380L334-V362 HydrophobicContact CD2-CG2 3.44Å; L334-V362 VanDerWaalsContact CD2-CG2 3.44Å; L337-V362 HydrophobicContact CD1-CB 4.22Å; L337-V362 HydrophobicContact CD1-CG1 3.67Å; L337-V362 HydrophobicContact CD1-CG2 3.45Å; L337-V362 VanDerWaalsContact CD1-CG2 3.45Å; L355-V362 HydrophobicContact CB-CG1 4.15Å; L355-V362 HydrophobicContact CD1-CG1 4.47Å; L355-V362 HydrophobicContact CD2-CG1 4.16Å; I356-V362 WeakPolarHBondContact O-CA 3.33Å; V362-V380 HydrophobicContact CB-CB 4.06Å; V362-V380 HydrophobicContact CG1-CB 3.94Å; V362-V380 HydrophobicContact CG1-CG2 3.99Å; V362-V380 PolarHBondContact O-N 3.26Å
363E89.8Confident87.2Confident11 Ų1151 Ų515%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-106137.1177-61-175.1129.400108.9R340 I356 D358 Y365 K376R340-E363 IonicContact CZ-OE2 3.43Å; R340-E363 IonicContact NE-OE2 3.47Å; R340-E363 PolarHBondContact NE-OE2 3.04Å; R340-E363 VanDerWaalsContact NH2-CD 3.26Å; R340-E363 IonicContact NH2-OE1 2.71Å; R340-E363 PolarHBondContact NH2-OE1 2.96Å; R340-E363 VanDerWaalsContact NH2-OE1 3.16Å; R340-E363 IonicContact NH2-OE2 2.78Å; R340-E363 PolarHBondContact NH2-OE2 3.29Å; I356-E363 PolarHBondContact N-O 3.07Å; I356-E363 PolarHBondContact O-N 3.5Å; D358-E363 HydrophobicContact CB-CG 4.34Å; E363-Y365 HydrophobicContact CB-CD2 4.23Å; E363-Y365 HydrophobicContact CB-CE2 3.65Å; E363-Y365 PolarHBondContact OE2-OH 2.78Å; E363-Y365 VanDerWaalsContact OE2-OH 3.12Å; E363-K376 WeakPolarHBondContact OE1-CE 3.38Å; E363-K376 IonicContact OE1-NZ 3.75Å; E363-K376 PolarHBondContact OE1-NZ 3.21Å
364A88.3Confident87.5Confident2 Ų249.9 Ų49.92%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-97.8138172.400000110.6I322 L355 I377 G378 V380I322-A364 HydrophobicContact CD1-CB 3.34Å; L355-A364 HydrophobicContact CD2-CB 3.83Å; A364-I377 HydrophobicContact CB-CD1 4.27Å; A364-I377 HydrophobicContact CB-CG1 3.79Å; A364-I377 WeakPolarHBondContact O-CG1 3.39Å; A364-I377 PolarHBondContact O-N 2.86Å; A364-G378 PolarHBondContact N-O 3.43Å; A364-V380 HydrophobicContact CB-CG2 3.99Å
365Y90.9Very high87.7Confident25 Ų2548.6 Ų48.610%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-126147.7177.2-73-97.3000110.6L343 T353 R354 I356 E363 W374 V375 K376L343-Y365 HydrophobicContact CD1-CD1 4.01Å; L343-Y365 HydrophobicContact CD1-CD2 4.08Å; L343-Y365 HydrophobicContact CD1-CE1 3.7Å; L343-Y365 HydrophobicContact CD1-CE2 3.76Å; L343-Y365 HydrophobicContact CD1-CG 4.19Å; L343-Y365 HydrophobicContact CD2-CD1 4.1Å; L343-Y365 HydrophobicContact CD2-CD2 4.07Å; L343-Y365 HydrophobicContact CD2-CG 3.79Å; T353-Y365 CarbonylContact C-O 3.52Å; T353-Y365 VanDerWaalsContact CA-O 3.27Å; T353-Y365 WeakPolarHBondContact CA-O 3.48Å; R354-Y365 PolarHBondContact N-O 2.99Å; R354-Y365 PolarHBondContact O-N 3.11Å; I356-Y365 HydrophobicContact CB-CD2 4.04Å; I356-Y365 HydrophobicContact CB-CE2 4Å; I356-Y365 HydrophobicContact CG1-CD2 3.61Å; I356-Y365 HydrophobicContact CG1-CE2 3.96Å; I356-Y365 HydrophobicContact CG2-CE2 4.49Å; E363-Y365 HydrophobicContact CB-CD2 4.23Å; E363-Y365 HydrophobicContact CB-CE2 3.65Å; E363-Y365 PolarHBondContact OE2-OH 2.78Å; E363-Y365 VanDerWaalsContact OE2-OH 3.12Å; Y365-W374 HydrophobicContact CD1-CB 4.05Å; Y365-V375 CarbonylContact C-O 3.56Å; Y365-V375 VanDerWaalsContact CA-O 3.25Å; Y365-V375 WeakPolarHBondContact CA-O 3.12Å; Y365-K376 HydrophobicContact CD1-CB 4Å; Y365-K376 HydrophobicContact CE1-CB 3.68Å; Y365-K376 HydrophobicContact CE1-CG 4.31Å
366Q92.1Very high88Confident14 Ų1449.6 Ų49.67%0.06527%0.27CS..EExtended strand (participates in β ladder)trans-117.6137.1173.1-175.7-170.9-35.300110T266 Q352 W374 V375 I377T266-Q366 PolarHBondContact O-NE2 3.03Å; Q352-Q366 CarbonylContact O-C 3.54Å; Q352-Q366 WeakPolarHBondContact O-CA 3.49Å; Q366-W374 VanDerWaalsContact C-CE3 3.49Å; Q366-W374 CarbonylContact O-C 3.57Å; Q366-W374 WeakPolarHBondContact O-CA 3.28Å; Q366-V375 PolarHBondContact N-O 3.36Å; Q366-V375 PolarHBondContact O-N 2.83Å; Q366-I377 HydrophobicContact CB-CD1 4.26Å; Q366-I377 HydrophobicContact CB-CG2 3.58Å
367W92.6Very high88.1Confident24 Ų2449.8 Ų49.89%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-76.2124.8168.9-174.7-112.6000111P346 G347 G351 Q352 G372 R373 W374P346-W367 VanDerWaalsContact CA-CH2 3.48Å; P346-W367 HydrophobicContact CB-CH2 3.48Å; P346-W367 VanDerWaalsContact CB-CH2 3.48Å; P346-W367 HydrophobicContact CB-CZ2 3.64Å; P346-W367 HydrophobicContact CB-CZ3 4.21Å; G347-W367 VanDerWaalsContact N-CE2 3.32Å; G347-W367 PolarHBondContact O-NE1 3.09Å; G351-W367 PolarHBondContact N-O 3.26Å; G351-W367 VanDerWaalsContact N-O 3.1Å; Q352-W367 HydrophobicContact CB-CB 4.18Å; Q352-W367 PolarHBondContact O-N 3.36Å; W367-G372 VanDerWaalsContact CH2-O 3.23Å; W367-G372 WeakPolarHBondContact CH2-O 3.35Å; W367-R373 VanDerWaalsContact CE3-C 3.44Å; W367-R373 VanDerWaalsContact CZ3-C 3.49Å; W367-W374 HydrophobicContact CB-CD2 4.37Å; W367-W374 HydrophobicContact CB-CE3 4.1Å; W367-W374 HydrophobicContact CB-CH2 3.83Å; W367-W374 HydrophobicContact CB-CZ2 4.11Å; W367-W374 HydrophobicContact CB-CZ3 3.85Å; W367-W374 AromaticContact CE3-CD1 3.62Å; W367-W374 AromaticContact CE3-CD2 3.87Å; W367-W374 HydrophobicContact CE3-CD2 3.87Å; W367-W374 AromaticContact CE3-CE2 3.57Å; W367-W374 AromaticContact CE3-CG 3.85Å; W367-W374 HydrophobicContact CE3-CG 3.85Å; W367-W374 HydrophobicContact CE3-CZ2 4.12Å; W367-W374 AromaticContact CE3-NE1 3.46Å; W367-W374 AromaticContact CZ3-CD1 3.68Å; W367-W374 HydrophobicContact CZ3-CG 4.29Å; W367-W374 AromaticContact CZ3-NE1 3.67Å
368S91.6Very high88.1Confident12 Ų1246 Ų468%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-100.5114.3166.31740000108.6S370 D371 G372 R373S368-S370 VanDerWaalsContact C-N 3.3Å; S368-S370 PolarHBondContact OG-OG 3.13Å; S368-D371 WeakPolarHBondContact CB-OD2 3.14Å; S368-D371 WeakPolarHBondContact OG-CB 3.46Å; S368-D371 PolarHBondContact OG-N 3.18Å; S368-D371 VanDerWaalsContact OG-N 3.16Å; S368-D371 PolarHBondContact OG-OD2 3.22Å; S368-G372 PolarHBondContact O-N 3.05Å; S368-R373 PolarHBondContact N-O 3.08Å; S368-R373 PolarHBondContact O-N 2.85Å
369V89.4Confident88.2Confident83 Ų8344.8 Ų44.850%0.50325%0.248SC..THydrogen-bonded Turntrans-67.3-36.1174.6170.70000110.5D350 D371D350-V369 HydrophobicContact CB-CB 4.13Å; D350-V369 HydrophobicContact CB-CG2 3.7Å; D350-V369 PolarHBondContact OD2-N 3.49Å; V369-D371 PolarHBondContact O-N 2.88Å
370S85.3Confident88.1Confident55 Ų5542.3 Ų42.339%0.38522%0.22SC..THydrogen-bonded Turntrans-64.5-37.4178.967.30000113.2S368S368-S370 VanDerWaalsContact C-N 3.3Å; S368-S370 PolarHBondContact OG-OG 3.13Å
371D86.2Confident87.8Confident62 Ų6236.4 Ų36.433%0.33220%0.198SC..THydrogen-bonded Turntrans-98.7-7.2-175.8-52-52.1000112.9K8 S368 V369 R373K8-D371 IonicContact NZ-OD1 2.72Å; K8-D371 PolarHBondContact NZ-OD1 2.74Å; K8-D371 IonicContact NZ-OD2 3.55Å; K8-D371 PolarHBondContact NZ-OD2 3.46Å; S368-D371 WeakPolarHBondContact CB-OD2 3.14Å; S368-D371 WeakPolarHBondContact OG-CB 3.46Å; S368-D371 PolarHBondContact OG-N 3.18Å; S368-D371 VanDerWaalsContact OG-N 3.16Å; S368-D371 PolarHBondContact OG-OD2 3.22Å; V369-D371 PolarHBondContact O-N 2.88Å; D371-R373 HydrophobicContact CB-CG 3.85Å; D371-R373 PolarHBondContact O-N 2.67Å
372G90.4Very high86.5Confident52 Ų5233.9 Ų33.954%0.53621%0.205SC..THydrogen-bonded Turntrans61.125.4-17900000114.4W367 S368W367-G372 VanDerWaalsContact CH2-O 3.23Å; W367-G372 WeakPolarHBondContact CH2-O 3.35Å; S368-G372 PolarHBondContact O-N 3.05Å
373R94Very high84.5Confident100 Ų10034.6 Ų34.638%0.37721%0.213SC..EExtended strand (participates in β ladder)trans-141.7161.5-17565.9167.9173.1123.90.4113.4E314 W367 S368 D371 V375E314-R373 IonicContact OE1-CZ 3.47Å; E314-R373 IonicContact OE1-NH2 3.4Å; E314-R373 PolarHBondContact OE1-NH2 3.02Å; E314-R373 IonicContact OE2-CZ 3.4Å; E314-R373 IonicContact OE2-NH1 3.82Å; E314-R373 PolarHBondContact OE2-NH1 2.82Å; E314-R373 IonicContact OE2-NH2 3.07Å; E314-R373 PolarHBondContact OE2-NH2 3.28Å; W367-R373 VanDerWaalsContact CE3-C 3.44Å; W367-R373 VanDerWaalsContact CZ3-C 3.49Å; S368-R373 PolarHBondContact N-O 3.08Å; S368-R373 PolarHBondContact O-N 2.85Å; D371-R373 HydrophobicContact CB-CG 3.85Å; D371-R373 PolarHBondContact O-N 2.67Å; R373-V375 HydrophobicContact CG-CG2 4.3Å
374W93.3Very high81.7Confident23 Ų2337 Ų379%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-80.6125.1163.6-66.994.8000110.2L343 E345 Q352 R354 Y365 Q366 W367L343-W374 HydrophobicContact CB-CG 4.49Å; L343-W374 HydrophobicContact CD2-CB 3.81Å; L343-W374 HydrophobicContact CD2-CD2 3.94Å; L343-W374 HydrophobicContact CD2-CE3 4.43Å; L343-W374 HydrophobicContact CD2-CG 3.62Å; E345-W374 PolarHBondContact O-NE1 3.12Å; Q352-W374 HydrophobicContact CB-CH2 4.34Å; Q352-W374 HydrophobicContact CG-CH2 4.03Å; Q352-W374 VanDerWaalsContact O-CZ3 3.28Å; Q352-W374 WeakPolarHBondContact O-CZ3 3.31Å; R354-W374 HydrophobicContact CB-CE3 4.27Å; R354-W374 HydrophobicContact CB-CH2 4.11Å; R354-W374 HydrophobicContact CB-CZ3 3.75Å; R354-W374 VanDerWaalsContact CD-CH2 3.41Å; R354-W374 VanDerWaalsContact CD-CZ2 3.49Å; R354-W374 HydrophobicContact CG-CH2 3.51Å; R354-W374 HydrophobicContact CG-CZ2 4.14Å; R354-W374 HydrophobicContact CG-CZ3 3.7Å; Y365-W374 HydrophobicContact CD1-CB 4.05Å; Q366-W374 VanDerWaalsContact C-CE3 3.49Å; Q366-W374 CarbonylContact O-C 3.57Å; Q366-W374 WeakPolarHBondContact O-CA 3.28Å; W367-W374 HydrophobicContact CB-CD2 4.37Å; W367-W374 HydrophobicContact CB-CE3 4.1Å; W367-W374 HydrophobicContact CB-CH2 3.83Å; W367-W374 HydrophobicContact CB-CZ2 4.11Å; W367-W374 HydrophobicContact CB-CZ3 3.85Å; W367-W374 AromaticContact CE3-CD1 3.62Å; W367-W374 AromaticContact CE3-CD2 3.87Å; W367-W374 HydrophobicContact CE3-CD2 3.87Å; W367-W374 AromaticContact CE3-CE2 3.57Å; W367-W374 AromaticContact CE3-CG 3.85Å; W367-W374 HydrophobicContact CE3-CG 3.85Å; W367-W374 HydrophobicContact CE3-CZ2 4.12Å; W367-W374 AromaticContact CE3-NE1 3.46Å; W367-W374 AromaticContact CZ3-CD1 3.68Å; W367-W374 HydrophobicContact CZ3-CG 4.29Å; W367-W374 AromaticContact CZ3-NE1 3.67Å
375V92.1Very high79.1Confident19 Ų1943.1 Ų43.112%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-101.9134.6173.4-178.20000108.4Y365 Q366 R373Y365-V375 CarbonylContact C-O 3.56Å; Y365-V375 VanDerWaalsContact CA-O 3.25Å; Y365-V375 WeakPolarHBondContact CA-O 3.12Å; Q366-V375 PolarHBondContact N-O 3.36Å; Q366-V375 PolarHBondContact O-N 2.83Å; R373-V375 HydrophobicContact CG-CG2 4.3Å
376K92.8Very high76.2Confident43 Ų4349.7 Ų49.719%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-73.9127.9175.9-175.6175.7172.1179.70109.4S318 E363 Y365 D379S318-K376 VanDerWaalsContact O-CE 3.31Å; S318-K376 WeakPolarHBondContact O-CE 3.47Å; E363-K376 WeakPolarHBondContact OE1-CE 3.38Å; E363-K376 IonicContact OE1-NZ 3.75Å; E363-K376 PolarHBondContact OE1-NZ 3.21Å; Y365-K376 HydrophobicContact CD1-CB 4Å; Y365-K376 HydrophobicContact CE1-CB 3.68Å; Y365-K376 HydrophobicContact CE1-CG 4.31Å; K376-D379 VanDerWaalsContact CE-OD1 3.28Å; K376-D379 WeakPolarHBondContact CE-OD1 3.41Å; K376-D379 IonicContact NZ-OD1 2.83Å; K376-D379 PolarHBondContact NZ-OD1 3.14Å
377I89.9Confident73.2Confident4 Ų457.6 Ų57.62%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-115.18.3-175.664.6160.4000114.9R268 L317 I322 T353 A364 Q366R268-I377 HydrophobicContact CG-CD1 4.48Å; L317-I377 HydrophobicContact CD2-CB 4.39Å; L317-I377 HydrophobicContact CD2-CG2 3.93Å; L317-I377 HydrophobicContact CG-CB 4.36Å; L317-I377 HydrophobicContact CG-CG2 4.43Å; L317-I377 CarbonylContact O-C 3.54Å; I322-I377 HydrophobicContact CD1-CG1 4.4Å; T353-I377 HydrophobicContact CG2-CD1 4.18Å; A364-I377 HydrophobicContact CB-CD1 4.27Å; A364-I377 HydrophobicContact CB-CG1 3.79Å; A364-I377 WeakPolarHBondContact O-CG1 3.39Å; A364-I377 PolarHBondContact O-N 2.86Å; Q366-I377 HydrophobicContact CB-CD1 4.26Å; Q366-I377 HydrophobicContact CB-CG2 3.58Å
378G87.6Confident70.3Confident0 Ų061.6 Ų61.60%036%0.359CS..EExtended strand (participates in β ladder)trans147.7171.6171.300000115L317 A320 A364L317-G378 PolarHBondContact O-N 2.87Å; A320-G378 CarbonylContact O-C 3.51Å; A320-G378 WeakPolarHBondContact O-CA 3.31Å; A364-G378 PolarHBondContact N-O 3.43Å
379D85.3Confident67.9Low33 Ų3364.6 Ų64.618%0.17638%0.38CS..EExtended strand (participates in β ladder)trans-92.4130.5165.1-82.82.9000108.6A320 I322 K361 K376A320-D379 PolarHBondContact O-N 2.68Å; I322-D379 PolarHBondContact N-O 2.96Å; K361-D379 IonicContact NZ-OD2 3.88Å; K361-D379 PolarHBondContact NZ-OD2 3.38Å; K376-D379 VanDerWaalsContact CE-OD1 3.28Å; K376-D379 WeakPolarHBondContact CE-OD1 3.41Å; K376-D379 IonicContact NZ-OD1 2.83Å; K376-D379 PolarHBondContact NZ-OD1 3.14Å
380V77.4Confident65.7Low10 Ų1067.7 Ų67.76%0.06139%0.387CS..EExtended strand (participates in β ladder)trans-88115.2175-171.80000109.3I322 P324 L329 I332 L355 V362 A364I322-V380 HydrophobicContact CB-CG2 4.21Å; I322-V380 HydrophobicContact CD1-CG2 4.25Å; I322-V380 WeakPolarHBondContact O-CA 3.3Å; P324-V380 HydrophobicContact CB-CG1 4Å; P324-V380 HydrophobicContact CG-CG1 4.12Å; L329-V380 HydrophobicContact CD1-CG1 4.4Å; L329-V380 HydrophobicContact CD1-CG2 4.12Å; I332-V380 HydrophobicContact CD1-CG1 3.69Å; L355-V380 HydrophobicContact CD2-CG2 3.75Å; V362-V380 HydrophobicContact CB-CB 4.06Å; V362-V380 HydrophobicContact CG1-CB 3.94Å; V362-V380 HydrophobicContact CG1-CG2 3.99Å; V362-V380 PolarHBondContact O-N 3.26Å; A364-V380 HydrophobicContact CB-CG2 3.99Å
381V68.4Low64.2Low73 Ų7367.8 Ų67.844%0.44239%0.387SS..  trans-99.5157.6178.1-61.90000110.8T321 I322 P324 G383T321-V381 HydrophobicContact CG2-CB 4.17Å; T321-V381 HydrophobicContact CG2-CG1 3.85Å; T321-V381 HydrophobicContact CG2-CG2 3.26Å; I322-V381 PolarHBondContact O-N 3Å; I322-V381 VanDerWaalsContact O-N 3.08Å; P324-V381 WeakPolarHBondContact CD-O 3.41Å; V381-G383 PolarHBondContact O-N 3.16Å
382G53.9Low62.8Low63 Ų6367.7 Ų67.765%0.64939%0.389SS*.SBendtrans86.9-16.3-174.800000114.1S384G382-S384 PolarHBondContact O-N 3.33Å
383G43.7Very low61.3Low19 Ų1971.4 Ų71.420%0.19639%0.394CS..  trans-6867.9163.400000112.1L334 V381L334-G383 VanDerWaalsContact CD1-C 3.47Å; L334-G383 WeakPolarHBondContact CD1-O 3.27Å; L334-G383 VanDerWaalsContact CD2-O 3.31Å; L334-G383 WeakPolarHBondContact CD2-O 2.99Å; V381-G383 PolarHBondContact O-N 3.16Å
384S30.8Very low59.9Low60 Ų6069.4 Ų69.442%0.4239%0.387SS..SBendtrans-128145.1173.366.10000110.3G382 Q386G382-S384 PolarHBondContact O-N 3.33Å; S384-Q386 PolarHBondContact O-N 3.38Å
385N32.9Very low58.7Low131 Ų13174 Ų7470%0.70141%0.409SS*.  trans-70.148.8167-80.60.8000111.2
386Q30.1Very low56.9Low163 Ų16376 Ų7676%0.76243%0.434SS*.  trans-61.8137150.1-75.3-175.91.800106.6S384 T388S384-Q386 PolarHBondContact O-N 3.38Å; Q386-T388 PolarHBondContact O-N 3.07Å
387Q30.1Very low55.2Low181 Ų18180.4 Ų80.485%0.84645%0.453SS*.  trans-45.6134.9178.2-70.7160.1-51.800108.6S389Q387-S389 PolarHBondContact O-N 3.04Å
388T31Very low53.9Low107 Ų10786.5 Ų86.566%0.65648%0.481SS*.  trans-33.6121.3159.827.70000108.5Q386 K390Q386-T388 PolarHBondContact O-N 3.07Å; T388-K390 PolarHBondContact O-N 3.28Å; T388-K390 WeakPolarHBondContact OG1-CG 3.43Å
389S41.4Very low53.2Low75 Ų7588.6 Ų88.652%0.52449%0.489SS..  trans-57.580.1141.7460000104.1Q387 S391Q387-S389 PolarHBondContact O-N 3.04Å; S389-S391 PolarHBondContact O-N 3.15Å; S389-S391 VanDerWaalsContact O-N 3.14Å
390K43.1Very low52.6Low149 Ų14989.6 Ų89.665%0.64850%0.495SS*.  trans-53.7127.1-178.2-81.9-176172-1790103.6T388 V392T388-K390 PolarHBondContact O-N 3.28Å; T388-K390 WeakPolarHBondContact OG1-CG 3.43Å; K390-V392 VanDerWaalsContact C-N 3.28Å; K390-V392 WeakPolarHBondContact O-CG2 3.42Å; K390-V392 PolarHBondContact O-N 3.2Å
391S53.4Low52.6Low56 Ų5692.2 Ų92.239%0.39250%0.504SS..  trans-54.1104.5165.3460000107S389 M393 E398 Y399S389-S391 PolarHBondContact O-N 3.15Å; S389-S391 VanDerWaalsContact O-N 3.14Å; S391-M393 PolarHBondContact O-N 2.96Å; S391-E398 WeakPolarHBondContact CB-OE2 3.37Å; S391-E398 PolarHBondContact OG-OE2 2.83Å; S391-Y399 CarbonylContact C-O 3.55Å; S391-Y399 VanDerWaalsContact CA-O 3.27Å; S391-Y399 WeakPolarHBondContact CA-O 3.47Å
392V57.6Low53.2Low60 Ų6090.1 Ų90.136%0.36449%0.491SS..  trans-83100.9-168.9-177.10000105.8K390 Y394 Y399 V402K390-V392 VanDerWaalsContact C-N 3.28Å; K390-V392 WeakPolarHBondContact O-CG2 3.42Å; K390-V392 PolarHBondContact O-N 3.2Å; V392-Y394 PolarHBondContact O-N 3.48Å; V392-Y399 PolarHBondContact N-O 2.73Å; V392-V402 HydrophobicContact CB-CB 4.03Å; V392-V402 HydrophobicContact CB-CG2 3.63Å; V392-V402 HydrophobicContact CG1-CB 3.89Å; V392-V402 HydrophobicContact CG1-CG2 3.76Å
393M57.6Low54.5Low130 Ų13088.3 Ų88.364%0.6447%0.465SS*.  trans-65.8109.8-176.8-150.2-79-110.500109.8S391 G396 K397 E398S391-M393 PolarHBondContact O-N 2.96Å; M393-G396 WeakPolarHBondContact SD-CA 3.47Å; M393-K397 CarbonylContact C-O 3.48Å; M393-K397 VanDerWaalsContact CA-O 3.32Å; M393-K397 WeakPolarHBondContact CA-O 3.39Å; M393-E398 HydrophobicContact CG-CG 4.21Å
394Y66.4Low56.2Low59 Ų5990.7 Ų90.723%0.23148%0.477CS..BIsolated β-bridgetrans-129.4124.5-175.1-174.2-109.3000109V392 G396 K397 V402 K415 P417V392-Y394 PolarHBondContact O-N 3.48Å; Y394-G396 PolarHBondContact O-N 3.37Å; Y394-G396 VanDerWaalsContact O-N 3.1Å; Y394-K397 PolarHBondContact N-O 3.29Å; Y394-K397 PolarHBondContact O-N 3.04Å; Y394-V402 HydrophobicContact CD2-CG1 4.47Å; Y394-V402 HydrophobicContact CG-CG2 4.46Å; Y394-K415 HydrophobicContact CD2-CD 4.23Å; Y394-K415 HydrophobicContact CE2-CB 3.88Å; Y394-K415 HydrophobicContact CE2-CD 3.74Å; Y394-K415 HydrophobicContact CE2-CG 4.44Å; Y394-P417 HydrophobicContact CD1-CB 4.11Å; Y394-P417 HydrophobicContact CD1-CG 3.97Å; Y394-P417 HydrophobicContact CE1-CG 4.21Å
395E67Low58.5Low119 Ų11988.7 Ų88.756%0.55646%0.461SS*.THydrogen-bonded Turntrans52.230.9-177.8-58-173.3134.700115.3R434E395-R434 IonicContact OE1-CZ 2.69Å; E395-R434 IonicContact OE1-NH1 3.96Å; E395-R434 IonicContact OE1-NH2 3.9Å; E395-R434 PolarHBondContact OE1-NH2 3.41Å; E395-R434 IonicContact OE2-CZ 2.83Å; E395-R434 IonicContact OE2-NH1 3.74Å; E395-R434 PolarHBondContact OE2-NH1 3.28Å; E395-R434 IonicContact OE2-NH2 3.56Å; E395-R434 PolarHBondContact OE2-NH2 3.27Å
396G54.7Low60.5Low62 Ų6287.7 Ų87.764%0.63946%0.455SS*.THydrogen-bonded Turntrans87.58.517900000114.9M393 Y394M393-G396 WeakPolarHBondContact SD-CA 3.47Å; Y394-G396 PolarHBondContact O-N 3.37Å; Y394-G396 VanDerWaalsContact O-N 3.1Å
397K56.1Low62Low135 Ų13582.1 Ų82.159%0.58743%0.43SS*.BIsolated β-bridgetrans-125.9150.1176.1-66.7-178.8-179.9-178.60111.3M393 Y394 Y399M393-K397 CarbonylContact C-O 3.48Å; M393-K397 VanDerWaalsContact CA-O 3.32Å; M393-K397 WeakPolarHBondContact CA-O 3.39Å; Y394-K397 PolarHBondContact N-O 3.29Å; Y394-K397 PolarHBondContact O-N 3.04Å; K397-Y399 HydrophobicContact CB-CD2 4.37Å; K397-Y399 HydrophobicContact CB-CE2 3.67Å
398E62.9Low63.3Low131 Ų13179.9 Ų79.961%0.61242%0.424SS*.  trans-89140.2175.1-82.5-174.6-140.200110.7S391 M393S391-E398 WeakPolarHBondContact CB-OE2 3.37Å; S391-E398 PolarHBondContact OG-OE2 2.83Å; M393-E398 HydrophobicContact CG-CG 4.21Å
399Y73.3Confident64.2Low44 Ų4484.7 Ų84.717%0.17344%0.439CS..  trans-141.3138-179.2-69.7-82000111.3S391 V392 K397 Y401 P417 N419S391-Y399 CarbonylContact C-O 3.55Å; S391-Y399 VanDerWaalsContact CA-O 3.27Å; S391-Y399 WeakPolarHBondContact CA-O 3.47Å; V392-Y399 PolarHBondContact N-O 2.73Å; K397-Y399 HydrophobicContact CB-CD2 4.37Å; K397-Y399 HydrophobicContact CB-CE2 3.67Å; Y399-Y401 PolarHBondContact O-N 3.47Å; Y399-P417 HydrophobicContact CD1-CB 3.68Å; Y399-P417 HydrophobicContact CD2-CB 3.59Å; Y399-P417 HydrophobicContact CE1-CB 3.79Å; Y399-P417 HydrophobicContact CE1-CG 4.35Å; Y399-P417 HydrophobicContact CE2-CB 3.69Å; Y399-P417 HydrophobicContact CE2-CG 4.29Å; Y399-P417 HydrophobicContact CG-CB 3.58Å; Y399-N419 VanDerWaalsContact CA-OD1 3.28Å; Y399-N419 WeakPolarHBondContact CA-OD1 3.49Å; Y399-N419 WeakPolarHBondContact CD1-ND2 3.2Å
400D72Confident64.5Low55 Ų5590.7 Ų90.729%0.29446%0.459SS..SBendtrans-58.4-36178.2-62.8-42.3000112.8Y418 N419 V420D400-Y418 PolarHBondContact N-O 2.8Å; D400-N419 PolarHBondContact N-OD1 2.76Å; D400-N419 VanDerWaalsContact OD2-CA 3.28Å; D400-N419 WeakPolarHBondContact OD2-CA 3.34Å; D400-N419 WeakPolarHBondContact OD2-CB 3.48Å; D400-V420 HydrophobicContact CB-CG2 4.21Å; D400-V420 PolarHBondContact OD2-N 3.08Å
401Y77.6Confident65.2Low65 Ų6585.3 Ų85.326%0.25545%0.445SS..EExtended strand (participates in β ladder)trans-137.4143.5178.2-58.3-91.4000111.2Y399 F403 P417 Y418 V420 T453Y399-Y401 PolarHBondContact O-N 3.47Å; Y401-F403 HydrophobicContact CD1-CE1 4.19Å; Y401-F403 AromaticContact CD1-CZ 3.84Å; Y401-F403 HydrophobicContact CD1-CZ 3.84Å; Y401-F403 HydrophobicContact CG-CE1 4.48Å; Y401-F403 HydrophobicContact CG-CE2 4.17Å; Y401-F403 AromaticContact CG-CZ 3.76Å; Y401-F403 HydrophobicContact CG-CZ 3.76Å; Y401-P417 CarbonylContact O-C 3.59Å; Y401-P417 WeakPolarHBondContact O-CA 3.22Å; Y401-Y418 AromaticContact CD2-CD1 3.95Å; Y401-Y418 HydrophobicContact CD2-CD1 3.95Å; Y401-Y418 HydrophobicContact CD2-CE1 4.46Å; Y401-Y418 PolarHBondContact N-O 2.85Å; Y401-Y418 PolarHBondContact O-N 2.78Å; Y401-V420 HydrophobicContact CD2-CG2 4.49Å; Y401-V420 HydrophobicContact CE2-CG2 3.73Å; Y401-T453 HydrophobicContact CD2-CG2 4.22Å; Y401-T453 HydrophobicContact CE2-CG2 4.25Å
402V80.9Confident65.4Low28 Ų2887.8 Ų87.817%0.1746%0.46CS..EExtended strand (participates in β ladder)trans-130.797.3164176.30000107.9V392 Y394 K415 L416 P417V392-V402 HydrophobicContact CB-CB 4.03Å; V392-V402 HydrophobicContact CB-CG2 3.63Å; V392-V402 HydrophobicContact CG1-CB 3.89Å; V392-V402 HydrophobicContact CG1-CG2 3.76Å; Y394-V402 HydrophobicContact CD2-CG1 4.47Å; Y394-V402 HydrophobicContact CG-CG2 4.46Å; V402-K415 HydrophobicContact CG1-CB 3.88Å; V402-K415 HydrophobicContact CG1-CD 4.07Å; V402-K415 HydrophobicContact CG1-CG 4.17Å; V402-L416 CarbonylContact C-O 3.45Å; V402-L416 WeakPolarHBondContact CA-O 3.44Å; V402-P417 HydrophobicContact CG2-CB 4.03Å
403F82.4Confident66.1Low25 Ų2588.6 Ų88.611%0.1147%0.468CS..EExtended strand (participates in β ladder)trans-74153.3178.7-58.7-72.8000110.9Y401 K415 L416 Y418 F448 I449 N452 T453Y401-F403 HydrophobicContact CD1-CE1 4.19Å; Y401-F403 AromaticContact CD1-CZ 3.84Å; Y401-F403 HydrophobicContact CD1-CZ 3.84Å; Y401-F403 HydrophobicContact CG-CE1 4.48Å; Y401-F403 HydrophobicContact CG-CE2 4.17Å; Y401-F403 AromaticContact CG-CZ 3.76Å; Y401-F403 HydrophobicContact CG-CZ 3.76Å; F403-K415 CarbonylContact O-C 3.56Å; F403-K415 VanDerWaalsContact O-CA 3.3Å; F403-K415 WeakPolarHBondContact O-CA 3.34Å; F403-L416 HydrophobicContact CB-CB 4.41Å; F403-L416 HydrophobicContact CD2-CD2 4.14Å; F403-L416 PolarHBondContact N-O 3.31Å; F403-L416 PolarHBondContact O-N 2.65Å; F403-Y418 HydrophobicContact CE2-CD1 4.42Å; F403-F448 HydrophobicContact CB-CE1 3.9Å; F403-F448 HydrophobicContact CD1-CE1 4.02Å; F403-F448 AromaticContact CG-CE1 3.95Å; F403-F448 HydrophobicContact CG-CE1 3.95Å; F403-I449 HydrophobicContact CE2-CG2 4.47Å; F403-N452 HydrophobicContact CD1-CB 4.41Å; F403-N452 HydrophobicContact CE1-CB 3.65Å; F403-N452 HydrophobicContact CZ-CB 4.06Å; F403-T453 HydrophobicContact CE2-CG2 4.17Å; F403-T453 HydrophobicContact CZ-CG2 3.78Å
404T78.9Confident67.2Low70 Ų7084 Ų8443%0.42945%0.446SS..EExtended strand (participates in β ladder)trans-112.3124.4170.2-57.40000107.6M414T404-M414 CarbonylContact C-O 3.58Å; T404-M414 WeakPolarHBondContact CA-O 3.41Å
405I78.3Confident68.1Low17 Ų1786.2 Ų86.29%0.08746%0.456CS..EExtended strand (participates in β ladder)trans-115.9117.4-174.5-60.7-178.2000108.3M407 M414 L416 F431 V445 F448I405-M407 HydrophobicContact CG2-CG 4.23Å; I405-M407 HydrophobicContact CG2-SD 3.78Å; I405-M414 PolarHBondContact N-O 2.96Å; I405-M414 PolarHBondContact O-N 3.27Å; I405-L416 HydrophobicContact CD1-CB 3.92Å; I405-L416 HydrophobicContact CD1-CD1 3.54Å; I405-L416 HydrophobicContact CD1-CG 4.37Å; I405-F431 HydrophobicContact CB-CE1 4.45Å; I405-F431 HydrophobicContact CB-CZ 4.07Å; I405-F431 HydrophobicContact CD1-CD1 4.3Å; I405-F431 HydrophobicContact CD1-CE1 3.78Å; I405-F431 HydrophobicContact CD1-CZ 3.9Å; I405-F431 HydrophobicContact CG1-CZ 4.4Å; I405-F431 HydrophobicContact CG2-CE1 4.44Å; I405-F431 HydrophobicContact CG2-CZ 4.47Å; I405-V445 HydrophobicContact CD1-CG1 3.92Å; I405-V445 HydrophobicContact CD1-CG2 4.46Å; I405-F448 HydrophobicContact CG1-CE1 4.37Å
406D76.3Confident69Low110 Ų11080.5 Ų80.559%0.58843%0.43SS*.  trans-100.2109.4178.8-60-31.5000108.5S413D406-S413 WeakPolarHBondContact OD1-CA 3.49Å; D406-S413 WeakPolarHBondContact OD1-CB 3.38Å
407M60.8Low70.4Confident47 Ų4778.8 Ų78.823%0.23241%0.407CS..SBendtrans-85.4-5-170.2-70.6-66.5-68.300114.7I405 M414 L437 F441I405-M407 HydrophobicContact CG2-CG 4.23Å; I405-M407 HydrophobicContact CG2-SD 3.78Å; M407-M414 HydrophobicContact CB-CE 4.09Å; M407-M414 HydrophobicContact CG-CE 3.41Å; M407-M414 VanDerWaalsContact CG-CE 3.41Å; M407-L437 HydrophobicContact CE-CD1 4.26Å; M407-L437 HydrophobicContact CE-CD2 4.45Å; M407-L437 HydrophobicContact CG-CD1 4.23Å; M407-L437 HydrophobicContact SD-CD1 4.36Å; M407-F441 HydrophobicContact CE-CB 4.41Å; M407-F441 HydrophobicContact CE-CD1 4.27Å; M407-F441 HydrophobicContact CE-CD2 3.6Å; M407-F441 HydrophobicContact CE-CE1 4.47Å; M407-F441 HydrophobicContact CE-CE2 3.83Å; M407-F441 HydrophobicContact CE-CG 3.84Å; M407-F441 HydrophobicContact CE-CZ 4.27Å
408N57.1Low71.7Confident134 Ų13472.3 Ų72.372%0.71738%0.379SS*.SBendtrans-171.3159170.1-85.7-46.9000109.2E410 G411N408-E410 PolarHBondContact O-N 3.31Å; N408-G411 PolarHBondContact O-N 2.97Å
409E50.2Low72.5Confident208 Ų20867.6 Ų67.697%0.97236%0.358SS*.THydrogen-bonded Turntrans-60.5-12.5-175.7-67.2-171.114600115.9
410E48Very low72.7Confident201 Ų20167.1 Ų67.194%0.93936%0.36SS*.THydrogen-bonded Turntrans-126.115.2174-61.9-170.1150.900113.4N408N408-E410 PolarHBondContact O-N 3.31Å
411G57.6Low72.6Confident35 Ų3569 Ų6936%0.36137%0.373SS..SBendtrans-89.2160.7-177.700000114.8N408N408-G411 PolarHBondContact O-N 2.97Å
412P58.5Low72.5Confident109 Ų10968.2 Ų68.271%0.70837%0.373SS*.PPolyproline II helixtrans-69.5133.7172.329.4-33.6000111.2
413S71.2Confident72.2Confident77 Ų7769.5 Ų69.554%0.53838%0.379SS..PPolyproline II helixtrans-76.8131.4179.662.40000111.8D406D406-S413 WeakPolarHBondContact OD1-CA 3.49Å; D406-S413 WeakPolarHBondContact OD1-CB 3.38Å
414M81.8Confident71.9Confident32 Ų3268.3 Ų68.316%0.15837%0.374CS..EExtended strand (participates in β ladder)trans-115.6144.8-173.6-73.6170.8-74.600111.7T404 I405 M407 F431 N435 L437T404-M414 CarbonylContact C-O 3.58Å; T404-M414 WeakPolarHBondContact CA-O 3.41Å; I405-M414 PolarHBondContact N-O 2.96Å; I405-M414 PolarHBondContact O-N 3.27Å; M407-M414 HydrophobicContact CB-CE 4.09Å; M407-M414 HydrophobicContact CG-CE 3.41Å; M407-M414 VanDerWaalsContact CG-CE 3.41Å; M414-F431 HydrophobicContact CB-CE2 3.96Å; M414-F431 HydrophobicContact CB-CZ 3.76Å; M414-N435 HydrophobicContact SD-CB 3.68Å; M414-L437 HydrophobicContact CE-CD1 3.89Å; M414-L437 HydrophobicContact CE-CD2 4.13Å; M414-L437 HydrophobicContact SD-CD1 4.12Å
415K84.5Confident72.2Confident106 Ų10669.7 Ų69.746%0.46137%0.372SS..EExtended strand (participates in β ladder)trans-101.3128.2-175.3-73.3-175.6175.7-173.30112.7Y394 V402 F403Y394-K415 HydrophobicContact CD2-CD 4.23Å; Y394-K415 HydrophobicContact CE2-CB 3.88Å; Y394-K415 HydrophobicContact CE2-CD 3.74Å; Y394-K415 HydrophobicContact CE2-CG 4.44Å; V402-K415 HydrophobicContact CG1-CB 3.88Å; V402-K415 HydrophobicContact CG1-CD 4.07Å; V402-K415 HydrophobicContact CG1-CG 4.17Å; F403-K415 CarbonylContact O-C 3.56Å; F403-K415 VanDerWaalsContact O-CA 3.3Å; F403-K415 WeakPolarHBondContact O-CA 3.34Å
416L86.5Confident72.3Confident0 Ų073.7 Ų73.70%039%0.393CS..EExtended strand (participates in β ladder)trans-113104178.4-171.1160.1000109.7V402 F403 I405 V427 F431 V445 I449V402-L416 CarbonylContact C-O 3.45Å; V402-L416 WeakPolarHBondContact CA-O 3.44Å; F403-L416 HydrophobicContact CB-CB 4.41Å; F403-L416 HydrophobicContact CD2-CD2 4.14Å; F403-L416 PolarHBondContact N-O 3.31Å; F403-L416 PolarHBondContact O-N 2.65Å; I405-L416 HydrophobicContact CD1-CB 3.92Å; I405-L416 HydrophobicContact CD1-CD1 3.54Å; I405-L416 HydrophobicContact CD1-CG 4.37Å; L416-V427 HydrophobicContact CD2-CG1 3.61Å; L416-V427 HydrophobicContact CG-CG1 4.29Å; L416-F431 HydrophobicContact CB-CD2 3.58Å; L416-F431 HydrophobicContact CB-CE2 3.81Å; L416-F431 HydrophobicContact CB-CG 4.11Å; L416-F431 HydrophobicContact CD1-CB 3.64Å; L416-F431 HydrophobicContact CD1-CD1 3.8Å; L416-F431 HydrophobicContact CD1-CD2 3.9Å; L416-F431 HydrophobicContact CD1-CE1 4.44Å; L416-F431 HydrophobicContact CD1-CG 3.48Å; L416-F431 VanDerWaalsContact CD1-CG 3.48Å; L416-F431 HydrophobicContact CG-CB 3.92Å; L416-F431 HydrophobicContact CG-CD2 3.76Å; L416-F431 HydrophobicContact CG-CE2 4.45Å; L416-F431 HydrophobicContact CG-CG 3.82Å; L416-V445 HydrophobicContact CD1-CG1 3.39Å; L416-I449 HydrophobicContact CD1-CD1 3.89Å; L416-I449 HydrophobicContact CD1-CG1 4.31Å; L416-I449 HydrophobicContact CD2-CD1 3.78Å; L416-I449 HydrophobicContact CD2-CG1 4.02Å
417P83.1Confident72.7Confident25 Ų2569.6 Ų69.616%0.16237%0.371CS..EExtended strand (participates in β ladder)trans-79.2140.2173.532.4-34.1000112Y394 Y399 Y401 V402 V427Y394-P417 HydrophobicContact CD1-CB 4.11Å; Y394-P417 HydrophobicContact CD1-CG 3.97Å; Y394-P417 HydrophobicContact CE1-CG 4.21Å; Y399-P417 HydrophobicContact CD1-CB 3.68Å; Y399-P417 HydrophobicContact CD2-CB 3.59Å; Y399-P417 HydrophobicContact CE1-CB 3.79Å; Y399-P417 HydrophobicContact CE1-CG 4.35Å; Y399-P417 HydrophobicContact CE2-CB 3.69Å; Y399-P417 HydrophobicContact CE2-CG 4.29Å; Y399-P417 HydrophobicContact CG-CB 3.58Å; Y401-P417 CarbonylContact O-C 3.59Å; Y401-P417 WeakPolarHBondContact O-CA 3.22Å; V402-P417 HydrophobicContact CG2-CB 4.03Å; P417-V427 VanDerWaalsContact O-CG1 3.26Å; P417-V427 WeakPolarHBondContact O-CG1 3.3Å
418Y84.4Confident73.8Confident0 Ų067.3 Ų67.30%036%0.36CS..EExtended strand (participates in β ladder)trans-151.9138.3-176.2173.2-93.3000111.8D400 Y401 F403 D422 P424 V427 I449 T453D400-Y418 PolarHBondContact N-O 2.8Å; Y401-Y418 AromaticContact CD2-CD1 3.95Å; Y401-Y418 HydrophobicContact CD2-CD1 3.95Å; Y401-Y418 HydrophobicContact CD2-CE1 4.46Å; Y401-Y418 PolarHBondContact N-O 2.85Å; Y401-Y418 PolarHBondContact O-N 2.78Å; F403-Y418 HydrophobicContact CE2-CD1 4.42Å; Y418-D422 HydrophobicContact CD2-CB 4.29Å; Y418-D422 HydrophobicContact CE2-CB 4.2Å; Y418-D422 WeakPolarHBondContact CE2-O 3.4Å; Y418-D422 PolarHBondContact OH-O 2.9Å; Y418-P424 HydrophobicContact CE2-CB 4.3Å; Y418-P424 HydrophobicContact CE2-CG 3.91Å; Y418-V427 HydrophobicContact CD2-CB 4.16Å; Y418-V427 HydrophobicContact CD2-CG1 4.2Å; Y418-V427 HydrophobicContact CD2-CG2 4.03Å; Y418-I449 HydrophobicContact CD1-CG2 4.13Å; Y418-I449 HydrophobicContact CD2-CG2 3.61Å; Y418-I449 HydrophobicContact CE1-CG2 4.11Å; Y418-I449 HydrophobicContact CE2-CG2 3.56Å; Y418-I449 HydrophobicContact CG-CG2 3.9Å; Y418-T453 HydrophobicContact CD1-CG2 3.74Å; Y418-T453 HydrophobicContact CE1-CG2 3.43Å; Y418-T453 VanDerWaalsContact CE1-CG2 3.43Å
419N80Confident75Confident31 Ų3165 Ų6517%0.16635%0.345CS..  trans-107.1153.6166.5-54.4-71.5000111.6Y399 D400 T421 D422Y399-N419 VanDerWaalsContact CA-OD1 3.28Å; Y399-N419 WeakPolarHBondContact CA-OD1 3.49Å; Y399-N419 WeakPolarHBondContact CD1-ND2 3.2Å; D400-N419 PolarHBondContact N-OD1 2.76Å; D400-N419 VanDerWaalsContact OD2-CA 3.28Å; D400-N419 WeakPolarHBondContact OD2-CA 3.34Å; D400-N419 WeakPolarHBondContact OD2-CB 3.48Å; N419-T421 PolarHBondContact O-N 3.42Å; N419-T421 VanDerWaalsContact O-N 3.14Å; N419-D422 VanDerWaalsContact CB-OD2 3.3Å; N419-D422 WeakPolarHBondContact CB-OD2 3.4Å; N419-D422 PolarHBondContact N-OD2 3.49Å; N419-D422 PolarHBondContact ND2-OD2 2.93Å; N419-D422 WeakPolarHBondContact O-CB 3.46Å; N419-D422 PolarHBondContact O-N 2.99Å
420V75.6Confident76.5Confident35 Ų3558.9 Ų58.921%0.21232%0.319CS..THydrogen-bonded Turntrans-62.5-21.6178.2-178.30000112.6D400 Y401 H456D400-V420 HydrophobicContact CB-CG2 4.21Å; D400-V420 PolarHBondContact OD2-N 3.08Å; Y401-V420 HydrophobicContact CD2-CG2 4.49Å; Y401-V420 HydrophobicContact CE2-CG2 3.73Å; V420-H456 HydrophobicContact CG1-CB 3.61Å
421T71Confident78.4Confident94 Ų9449.9 Ų49.958%0.57728%0.277SS*.THydrogen-bonded Turntrans-87.2-6.5174.356.70000114.4N419N419-T421 PolarHBondContact O-N 3.42Å; N419-T421 VanDerWaalsContact O-N 3.14Å
422D74.9Confident79.7Confident48 Ų4848.4 Ų48.426%0.25726%0.261SS..SBendtrans-89.2151.2179.9-60.9-27.4000110.4Y418 N419 P424 V427Y418-D422 HydrophobicContact CD2-CB 4.29Å; Y418-D422 HydrophobicContact CE2-CB 4.2Å; Y418-D422 WeakPolarHBondContact CE2-O 3.4Å; Y418-D422 PolarHBondContact OH-O 2.9Å; N419-D422 VanDerWaalsContact CB-OD2 3.3Å; N419-D422 WeakPolarHBondContact CB-OD2 3.4Å; N419-D422 PolarHBondContact N-OD2 3.49Å; N419-D422 PolarHBondContact ND2-OD2 2.93Å; N419-D422 WeakPolarHBondContact O-CB 3.46Å; N419-D422 PolarHBondContact O-N 2.99Å; D422-P424 WeakPolarHBondContact O-CD 3.19Å; D422-V427 HydrophobicContact CB-CG2 3.73Å
423D74.9Confident80.7Confident55 Ų5549.8 Ų49.829%0.29426%0.258SS..  trans-76.2118.9172.4-179.5-13.9000110.4W425 L426 V427D423-W425 PolarHBondContact O-N 2.85Å; D423-W425 VanDerWaalsContact O-N 3.17Å; D423-W425 WeakPolarHBondContact OD1-CB 3.48Å; D423-W425 PolarHBondContact OD1-N 3.43Å; D423-L426 HydrophobicContact CB-CB 4.04Å; D423-L426 PolarHBondContact O-N 2.9Å; D423-V427 WeakPolarHBondContact O-CG2 3.43Å; D423-V427 PolarHBondContact O-N 2.77Å
424P76.8Confident81.3Confident0 Ų053.6 Ų53.60%026%0.26CS..Hα-helixtrans-52.4-36.1177.5-2733.8000114.3Y418 D422 A428 I449 I450 V457Y418-P424 HydrophobicContact CE2-CB 4.3Å; Y418-P424 HydrophobicContact CE2-CG 3.91Å; D422-P424 WeakPolarHBondContact O-CD 3.19Å; P424-A428 WeakPolarHBondContact O-CB 3.1Å; P424-A428 PolarHBondContact O-N 2.93Å; P424-I449 HydrophobicContact CB-CB 4.15Å; P424-I449 HydrophobicContact CB-CG2 3.82Å; P424-I449 HydrophobicContact CG-CG2 4.19Å; P424-I449 WeakPolarHBondContact O-CD1 3.42Å; P424-I450 HydrophobicContact CB-CD1 4.13Å; P424-I450 HydrophobicContact CB-CG1 3.71Å; P424-I450 HydrophobicContact CG-CD1 4.38Å; P424-I450 HydrophobicContact CG-CG1 3.72Å; P424-V457 HydrophobicContact CG-CB 4.5Å; P424-V457 HydrophobicContact CG-CG1 4.03Å; P424-V457 HydrophobicContact CG-CG2 3.64Å
425W84.8Confident81.2Confident99 Ų9954.9 Ų54.938%0.37527%0.268SS..Hα-helixtrans-72.2-41.9-177.8-71.592.7000111.6D423 H429 L442 D443 A446D423-W425 PolarHBondContact O-N 2.85Å; D423-W425 VanDerWaalsContact O-N 3.17Å; D423-W425 WeakPolarHBondContact OD1-CB 3.48Å; D423-W425 PolarHBondContact OD1-N 3.43Å; W425-H429 WeakPolarHBondContact O-CB 3.22Å; W425-H429 PolarHBondContact O-N 2.94Å; W425-L442 HydrophobicContact CE3-CD2 4.35Å; W425-L442 HydrophobicContact CE3-CG 4.02Å; W425-L442 HydrophobicContact CZ3-CG 4.11Å; W425-D443 HydrophobicContact CH2-CB 4.21Å; W425-D443 HydrophobicContact CZ3-CB 4.41Å; W425-D443 VanDerWaalsContact CZ3-OD1 3.29Å; W425-D443 WeakPolarHBondContact CZ3-OD1 3.36Å; W425-A446 HydrophobicContact CD2-CB 3.51Å; W425-A446 HydrophobicContact CE3-CB 3.51Å; W425-A446 HydrophobicContact CG-CB 4.08Å; W425-A446 HydrophobicContact CH2-CB 4.07Å; W425-A446 HydrophobicContact CZ2-CB 4.05Å; W425-A446 HydrophobicContact CZ3-CB 3.8Å
426L80Confident80.9Confident102 Ų10257.5 Ų57.553%0.53429%0.287SS..Hα-helixtrans-67.8-39.9175.8-175.159.9000111.3D423 H429 N430D423-L426 HydrophobicContact CB-CB 4.04Å; D423-L426 PolarHBondContact O-N 2.9Å; L426-H429 PolarHBondContact O-N 3.47Å; L426-N430 WeakPolarHBondContact O-CB 3.4Å; L426-N430 VanDerWaalsContact O-CG 3.29Å; L426-N430 PolarHBondContact O-N 2.81Å; L426-N430 PolarHBondContact O-ND2 2.8Å
427V84.4Confident80.6Confident23 Ų2359.3 Ų59.314%0.13930%0.296CS..Hα-helixtrans-67-43.2176.1177.80000111.2L416 P417 Y418 D422 D423 H429 N430 F431 I449L416-V427 HydrophobicContact CD2-CG1 3.61Å; L416-V427 HydrophobicContact CG-CG1 4.29Å; P417-V427 VanDerWaalsContact O-CG1 3.26Å; P417-V427 WeakPolarHBondContact O-CG1 3.3Å; Y418-V427 HydrophobicContact CD2-CB 4.16Å; Y418-V427 HydrophobicContact CD2-CG1 4.2Å; Y418-V427 HydrophobicContact CD2-CG2 4.03Å; D422-V427 HydrophobicContact CB-CG2 3.73Å; D423-V427 WeakPolarHBondContact O-CG2 3.43Å; D423-V427 PolarHBondContact O-N 2.77Å; V427-H429 PolarHBondContact O-N 2.87Å; V427-N430 PolarHBondContact O-N 3.49Å; V427-F431 WeakPolarHBondContact O-CB 3.49Å; V427-F431 PolarHBondContact O-N 3.33Å; V427-I449 HydrophobicContact CB-CD1 4.46Å; V427-I449 HydrophobicContact CG1-CD1 4.34Å
428A84Confident80.2Confident0 Ų060.3 Ų60.30%030%0.304CS..Hα-helixtrans-60.2-43.717400000112.3P424 F431 L432 L442 V445 A446 I449P424-A428 WeakPolarHBondContact O-CB 3.1Å; P424-A428 PolarHBondContact O-N 2.93Å; A428-F431 PolarHBondContact O-N 3.14Å; A428-L432 WeakPolarHBondContact O-CG 3.33Å; A428-L432 PolarHBondContact O-N 2.95Å; A428-L442 HydrophobicContact CB-CD1 3.87Å; A428-V445 HydrophobicContact CB-CB 4.01Å; A428-V445 HydrophobicContact CB-CG1 3.68Å; A428-A446 HydrophobicContact CB-CB 3.87Å; A428-I449 HydrophobicContact CB-CD1 4.09Å
429H83.6Confident79.8Confident85 Ų8565 Ų6539%0.39433%0.334SS..Hα-helixtrans-61.8-49.6177.1-172.185.5000111.9W425 L426 V427 F431 L432 Q433 L442W425-H429 WeakPolarHBondContact O-CB 3.22Å; W425-H429 PolarHBondContact O-N 2.94Å; L426-H429 PolarHBondContact O-N 3.47Å; V427-H429 PolarHBondContact O-N 2.87Å; H429-F431 VanDerWaalsContact C-N 3.3Å; H429-F431 PolarHBondContact O-N 3.13Å; H429-L432 PolarHBondContact O-N 2.84Å; H429-Q433 WeakPolarHBondContact O-CB 3.31Å; H429-Q433 PolarHBondContact O-N 3.02Å; H429-L442 HydrophobicContact CB-CD1 3.81Å
430N81.3Confident79.7Confident80 Ų8070.4 Ų70.443%0.42836%0.361SS..Hα-helixtrans-61.4-37.9177.3-74.4-39.8000111.9L426 V427 R434L426-N430 WeakPolarHBondContact O-CB 3.4Å; L426-N430 VanDerWaalsContact O-CG 3.29Å; L426-N430 PolarHBondContact O-N 2.81Å; L426-N430 PolarHBondContact O-ND2 2.8Å; V427-N430 PolarHBondContact O-N 3.49Å; N430-R434 WeakPolarHBondContact O-CB 3.48Å; N430-R434 PolarHBondContact O-N 2.97Å
431F87.5Confident79.9Confident11 Ų1172 Ų725%0.04836%0.364CS..Hα-helixtrans-63.7-46.9175.2171.4-95.7000112.2I405 M414 L416 V427 A428 H429 R434 N435 L437 V445I405-F431 HydrophobicContact CB-CE1 4.45Å; I405-F431 HydrophobicContact CB-CZ 4.07Å; I405-F431 HydrophobicContact CD1-CD1 4.3Å; I405-F431 HydrophobicContact CD1-CE1 3.78Å; I405-F431 HydrophobicContact CD1-CZ 3.9Å; I405-F431 HydrophobicContact CG1-CZ 4.4Å; I405-F431 HydrophobicContact CG2-CE1 4.44Å; I405-F431 HydrophobicContact CG2-CZ 4.47Å; M414-F431 HydrophobicContact CB-CE2 3.96Å; M414-F431 HydrophobicContact CB-CZ 3.76Å; L416-F431 HydrophobicContact CB-CD2 3.58Å; L416-F431 HydrophobicContact CB-CE2 3.81Å; L416-F431 HydrophobicContact CB-CG 4.11Å; L416-F431 HydrophobicContact CD1-CB 3.64Å; L416-F431 HydrophobicContact CD1-CD1 3.8Å; L416-F431 HydrophobicContact CD1-CD2 3.9Å; L416-F431 HydrophobicContact CD1-CE1 4.44Å; L416-F431 HydrophobicContact CD1-CG 3.48Å; L416-F431 VanDerWaalsContact CD1-CG 3.48Å; L416-F431 HydrophobicContact CG-CB 3.92Å; L416-F431 HydrophobicContact CG-CD2 3.76Å; L416-F431 HydrophobicContact CG-CE2 4.45Å; L416-F431 HydrophobicContact CG-CG 3.82Å; V427-F431 WeakPolarHBondContact O-CB 3.49Å; V427-F431 PolarHBondContact O-N 3.33Å; A428-F431 PolarHBondContact O-N 3.14Å; H429-F431 VanDerWaalsContact C-N 3.3Å; H429-F431 PolarHBondContact O-N 3.13Å; F431-R434 PolarHBondContact O-N 3.18Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.35Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.14Å; F431-N435 PolarHBondContact O-N 2.88Å; F431-N435 PolarHBondContact O-ND2 2.73Å; F431-L437 HydrophobicContact CE1-CD1 3.83Å; F431-L437 HydrophobicContact CZ-CD1 4.34Å; F431-V445 HydrophobicContact CD1-CG1 4.16Å
432L84.7Confident80.1Confident5 Ų569.3 Ų69.33%0.02635%0.347CS..Hα-helixtrans-63.3-48178.7-69.2172.8000111A428 H429 R434 N435 D436 L437 F441 L442 V445A428-L432 WeakPolarHBondContact O-CG 3.33Å; A428-L432 PolarHBondContact O-N 2.95Å; H429-L432 PolarHBondContact O-N 2.84Å; L432-R434 PolarHBondContact O-N 2.89Å; L432-N435 PolarHBondContact O-N 2.86Å; L432-D436 PolarHBondContact O-N 3.15Å; L432-D436 VanDerWaalsContact O-N 3.13Å; L432-L437 HydrophobicContact CB-CB 4.28Å; L432-L437 HydrophobicContact CD2-CB 3.57Å; L432-L437 HydrophobicContact CD2-CD1 3.91Å; L432-L437 HydrophobicContact CD2-CG 4.4Å; L432-L437 PolarHBondContact O-N 2.9Å; L432-F441 HydrophobicContact CD1-CB 4.3Å; L432-F441 HydrophobicContact CD2-CB 3.95Å; L432-L442 HydrophobicContact CD1-CB 3.99Å; L432-L442 HydrophobicContact CD1-CD1 4.26Å; L432-V445 HydrophobicContact CD2-CG2 4.18Å
433Q80.6Confident79.9Confident138 Ų13871.8 Ų71.865%0.64536%0.36SS*.Hα-helixtrans-61.9-41.6178.4-170.2-177.522.300112.2H429 N435 D436H429-Q433 WeakPolarHBondContact O-CB 3.31Å; H429-Q433 PolarHBondContact O-N 3.02Å; Q433-N435 VanDerWaalsContact C-N 3.27Å; Q433-N435 PolarHBondContact O-N 2.75Å; Q433-D436 PolarHBondContact O-N 3.09Å
434R82Confident80.1Confident156 Ų15675.5 Ų75.559%0.58938%0.375SS*.Hα-helixtrans-66.4-27.5-178.9-178.1171.3-178-172-2.6113.4E395 N430 F431 L432E395-R434 IonicContact OE1-CZ 2.69Å; E395-R434 IonicContact OE1-NH1 3.96Å; E395-R434 IonicContact OE1-NH2 3.9Å; E395-R434 PolarHBondContact OE1-NH2 3.41Å; E395-R434 IonicContact OE2-CZ 2.83Å; E395-R434 IonicContact OE2-NH1 3.74Å; E395-R434 PolarHBondContact OE2-NH1 3.28Å; E395-R434 IonicContact OE2-NH2 3.56Å; E395-R434 PolarHBondContact OE2-NH2 3.27Å; N430-R434 WeakPolarHBondContact O-CB 3.48Å; N430-R434 PolarHBondContact O-N 2.97Å; F431-R434 PolarHBondContact O-N 3.18Å; L432-R434 PolarHBondContact O-N 2.89Å
435N80.8Confident80.3Confident60 Ų6075.8 Ų75.832%0.32138%0.377SS..THydrogen-bonded Turntrans-104.611.1179.6-63.6-78.5000113M414 F431 L432 Q433 L437M414-N435 HydrophobicContact SD-CB 3.68Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.35Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.14Å; F431-N435 PolarHBondContact O-N 2.88Å; F431-N435 PolarHBondContact O-ND2 2.73Å; L432-N435 PolarHBondContact O-N 2.86Å; Q433-N435 VanDerWaalsContact C-N 3.27Å; Q433-N435 PolarHBondContact O-N 2.75Å; N435-L437 HydrophobicContact CB-CD1 3.86Å; N435-L437 HydrophobicContact CB-CG 3.82Å; N435-L437 PolarHBondContact O-N 2.83Å
436D78.9Confident80Confident160 Ų16071.1 Ų71.186%0.85636%0.359SS*.THydrogen-bonded Turntrans53.937.6-178.2-15019.8000113.5L432 Q433L432-D436 PolarHBondContact O-N 3.15Å; L432-D436 VanDerWaalsContact O-N 3.13Å; Q433-D436 PolarHBondContact O-N 3.09Å
437L78.9Confident79.9Confident38 Ų3869.7 Ų69.720%0.19935%0.352CS..  trans-93.3150.8-178.3-60.1175.2000111.5M407 M414 F431 L432 N435M407-L437 HydrophobicContact CE-CD1 4.26Å; M407-L437 HydrophobicContact CE-CD2 4.45Å; M407-L437 HydrophobicContact CG-CD1 4.23Å; M407-L437 HydrophobicContact SD-CD1 4.36Å; M414-L437 HydrophobicContact CE-CD1 3.89Å; M414-L437 HydrophobicContact CE-CD2 4.13Å; M414-L437 HydrophobicContact SD-CD1 4.12Å; F431-L437 HydrophobicContact CE1-CD1 3.83Å; F431-L437 HydrophobicContact CZ-CD1 4.34Å; L432-L437 HydrophobicContact CB-CB 4.28Å; L432-L437 HydrophobicContact CD2-CB 3.57Å; L432-L437 HydrophobicContact CD2-CD1 3.91Å; L432-L437 HydrophobicContact CD2-CG 4.4Å; L432-L437 PolarHBondContact O-N 2.9Å; N435-L437 HydrophobicContact CB-CD1 3.86Å; N435-L437 HydrophobicContact CB-CG 3.82Å; N435-L437 PolarHBondContact O-N 2.83Å
438S75.4Confident79.8Confident47 Ų4772 Ų7233%0.32936%0.361SS..  trans-62.9132.7-176-170.40000112.6M440 F441S438-M440 PolarHBondContact O-N 3.46Å; S438-M440 WeakPolarHBondContact OG-CE 3.41Å; S438-M440 WeakPolarHBondContact OG-CG 3.37Å; S438-F441 WeakPolarHBondContact O-CD2 3.38Å; S438-F441 PolarHBondContact O-N 3.08Å; S438-F441 VanDerWaalsContact O-N 3.17Å
439P75.6Confident79.6Confident97 Ų9772 Ų7263%0.6336%0.361SS*.G310 helixtrans-57.7-17175.9-27.435.6000115.1F441 L442P439-F441 PolarHBondContact O-N 3.27Å; P439-L442 VanDerWaalsContact O-CB 3.24Å; P439-L442 WeakPolarHBondContact O-CB 3.49Å; P439-L442 PolarHBondContact O-N 3.36Å; P439-L442 VanDerWaalsContact O-N 3.1Å
440M78.1Confident79.2Confident146 Ų14670.2 Ų70.272%0.71935%0.354SS*.G310 helixtrans-63.6-18.7176.971.4-179.66300113.8S438 L442S438-M440 PolarHBondContact O-N 3.46Å; S438-M440 WeakPolarHBondContact OG-CE 3.41Å; S438-M440 WeakPolarHBondContact OG-CG 3.37Å; M440-L442 VanDerWaalsContact C-N 3.3Å
441F79Confident78.9Confident67 Ų6773.4 Ų73.429%0.29437%0.366SS..G310 helixtrans-86.22.2176.6-60.9-66.8000113.4M407 L432 S438 P439 D443 Q444 V445M407-F441 HydrophobicContact CE-CB 4.41Å; M407-F441 HydrophobicContact CE-CD1 4.27Å; M407-F441 HydrophobicContact CE-CD2 3.6Å; M407-F441 HydrophobicContact CE-CE1 4.47Å; M407-F441 HydrophobicContact CE-CE2 3.83Å; M407-F441 HydrophobicContact CE-CG 3.84Å; M407-F441 HydrophobicContact CE-CZ 4.27Å; L432-F441 HydrophobicContact CD1-CB 4.3Å; L432-F441 HydrophobicContact CD2-CB 3.95Å; S438-F441 WeakPolarHBondContact O-CD2 3.38Å; S438-F441 PolarHBondContact O-N 3.08Å; S438-F441 VanDerWaalsContact O-N 3.17Å; P439-F441 PolarHBondContact O-N 3.27Å; F441-D443 PolarHBondContact O-N 3.34Å; F441-Q444 PolarHBondContact O-N 2.83Å; F441-V445 HydrophobicContact CB-CG2 4.49Å; F441-V445 WeakPolarHBondContact O-CG2 3.29Å; F441-V445 PolarHBondContact O-N 2.96Å
442L76.1Confident78.2Confident39 Ų3976.8 Ų76.820%0.20439%0.385CS..Hα-helixtrans-56.9-52.4-175.7-178.264000111.9W425 A428 H429 L432 P439 M440 Q444 V445 A446W425-L442 HydrophobicContact CE3-CD2 4.35Å; W425-L442 HydrophobicContact CE3-CG 4.02Å; W425-L442 HydrophobicContact CZ3-CG 4.11Å; A428-L442 HydrophobicContact CB-CD1 3.87Å; H429-L442 HydrophobicContact CB-CD1 3.81Å; L432-L442 HydrophobicContact CD1-CB 3.99Å; L432-L442 HydrophobicContact CD1-CD1 4.26Å; P439-L442 VanDerWaalsContact O-CB 3.24Å; P439-L442 WeakPolarHBondContact O-CB 3.49Å; P439-L442 PolarHBondContact O-N 3.36Å; P439-L442 VanDerWaalsContact O-N 3.1Å; M440-L442 VanDerWaalsContact C-N 3.3Å; L442-Q444 VanDerWaalsContact C-N 3.28Å; L442-Q444 PolarHBondContact O-N 2.79Å; L442-V445 PolarHBondContact O-N 3.28Å; L442-A446 VanDerWaalsContact O-CB 3.26Å; L442-A446 WeakPolarHBondContact O-CB 3.32Å; L442-A446 PolarHBondContact O-N 3.31Å
443D70.4Confident77.6Confident100 Ų10077 Ų7754%0.53539%0.386SS..Hα-helixtrans-59.3-40.4178-62.43.4000111.5W425 F441 N447W425-D443 HydrophobicContact CH2-CB 4.21Å; W425-D443 HydrophobicContact CZ3-CB 4.41Å; W425-D443 VanDerWaalsContact CZ3-OD1 3.29Å; W425-D443 WeakPolarHBondContact CZ3-OD1 3.36Å; F441-D443 PolarHBondContact O-N 3.34Å; D443-N447 WeakPolarHBondContact O-CB 3.36Å; D443-N447 VanDerWaalsContact O-CG 3.25Å; D443-N447 PolarHBondContact O-N 2.7Å; D443-N447 PolarHBondContact O-ND2 3.37Å
444Q80.3Confident76.4Confident133 Ų13379.2 Ų79.262%0.62139%0.393SS*.Hα-helixtrans-67.5-43.9-179.3-173.6178.3-7.500111.4F441 L442 F448F441-Q444 PolarHBondContact O-N 2.83Å; L442-Q444 VanDerWaalsContact C-N 3.28Å; L442-Q444 PolarHBondContact O-N 2.79Å; Q444-F448 WeakPolarHBondContact O-CB 3.24Å; Q444-F448 PolarHBondContact O-N 3.1Å
445V79.9Confident74.8Confident6 Ų674.8 Ų74.84%0.03640%0.396CS..Hα-helixtrans-73.1-40179.5176.90000111.4I405 L416 A428 F431 L432 F441 L442 F448 I449I405-V445 HydrophobicContact CD1-CG1 3.92Å; I405-V445 HydrophobicContact CD1-CG2 4.46Å; L416-V445 HydrophobicContact CD1-CG1 3.39Å; A428-V445 HydrophobicContact CB-CB 4.01Å; A428-V445 HydrophobicContact CB-CG1 3.68Å; F431-V445 HydrophobicContact CD1-CG1 4.16Å; L432-V445 HydrophobicContact CD2-CG2 4.18Å; F441-V445 HydrophobicContact CB-CG2 4.49Å; F441-V445 WeakPolarHBondContact O-CG2 3.29Å; F441-V445 PolarHBondContact O-N 2.96Å; L442-V445 PolarHBondContact O-N 3.28Å; V445-F448 PolarHBondContact O-N 3.28Å; V445-I449 HydrophobicContact CG1-CD1 4.38Å; V445-I449 VanDerWaalsContact O-CG1 3.32Å; V445-I449 WeakPolarHBondContact O-CG1 3.29Å; V445-I449 PolarHBondContact O-N 2.79Å
446A78.8Confident72.8Confident0 Ų075.6 Ų75.60%040%0.398CS..Hα-helixtrans-65.8-47177.100000111.7W425 A428 L442 F448 I449 I450W425-A446 HydrophobicContact CD2-CB 3.51Å; W425-A446 HydrophobicContact CE3-CB 3.51Å; W425-A446 HydrophobicContact CG-CB 4.08Å; W425-A446 HydrophobicContact CH2-CB 4.07Å; W425-A446 HydrophobicContact CZ2-CB 4.05Å; W425-A446 HydrophobicContact CZ3-CB 3.8Å; A428-A446 HydrophobicContact CB-CB 3.87Å; L442-A446 VanDerWaalsContact O-CB 3.26Å; L442-A446 WeakPolarHBondContact O-CB 3.32Å; L442-A446 PolarHBondContact O-N 3.31Å; A446-F448 VanDerWaalsContact C-N 3.34Å; A446-F448 PolarHBondContact O-N 2.63Å; A446-I449 WeakPolarHBondContact O-CB 3.33Å; A446-I449 PolarHBondContact O-N 3.48Å; A446-I450 WeakPolarHBondContact O-CD1 3.12Å; A446-I450 VanDerWaalsContact O-CG1 3.28Å; A446-I450 WeakPolarHBondContact O-CG1 3.49Å; A446-I450 PolarHBondContact O-N 3.14Å
447N77.4Confident70.7Confident72 Ų7271 Ų7139%0.38538%0.376SS..Hα-helixtrans-65.3-37.3174.9-70.4-49.1000111.7D443 I449 I450 E451D443-N447 WeakPolarHBondContact O-CB 3.36Å; D443-N447 VanDerWaalsContact O-CG 3.25Å; D443-N447 PolarHBondContact O-N 2.7Å; D443-N447 PolarHBondContact O-ND2 3.37Å; N447-I449 VanDerWaalsContact C-N 3.33Å; N447-I449 PolarHBondContact O-N 2.95Å; N447-I450 PolarHBondContact O-N 3.1Å; N447-E451 WeakPolarHBondContact O-CB 3.35Å; N447-E451 WeakPolarHBondContact O-CG 3.34Å; N447-E451 PolarHBondContact O-N 3.23Å
448F83.4Confident68.7Low72 Ų7274 Ų7432%0.31640%0.395SS..Hα-helixtrans-58.4-42.8172.4174.5-87.6000112F403 I405 Q444 V445 A446 N452F403-F448 HydrophobicContact CB-CE1 3.9Å; F403-F448 HydrophobicContact CD1-CE1 4.02Å; F403-F448 AromaticContact CG-CE1 3.95Å; F403-F448 HydrophobicContact CG-CE1 3.95Å; I405-F448 HydrophobicContact CG1-CE1 4.37Å; Q444-F448 WeakPolarHBondContact O-CB 3.24Å; Q444-F448 PolarHBondContact O-N 3.1Å; V445-F448 PolarHBondContact O-N 3.28Å; A446-F448 VanDerWaalsContact C-N 3.34Å; A446-F448 PolarHBondContact O-N 2.63Å; F448-N452 WeakPolarHBondContact CD2-ND2 3.44Å; F448-N452 WeakPolarHBondContact CE2-ND2 3.39Å; F448-N452 WeakPolarHBondContact O-CB 3.48Å; F448-N452 PolarHBondContact O-N 3.04Å; F448-N452 VanDerWaalsContact O-N 3.13Å; F448-N452 PolarHBondContact O-ND2 3.26Å
449I78.3Confident66.5Low0 Ų074.3 Ų74.30%041%0.406CS..Hα-helixtrans-60.5-52.6172.8-65.2161.1000109.8F403 L416 Y418 P424 V427 A428 V445 A446 N447 E451 N452 T453F403-I449 HydrophobicContact CE2-CG2 4.47Å; L416-I449 HydrophobicContact CD1-CD1 3.89Å; L416-I449 HydrophobicContact CD1-CG1 4.31Å; L416-I449 HydrophobicContact CD2-CD1 3.78Å; L416-I449 HydrophobicContact CD2-CG1 4.02Å; Y418-I449 HydrophobicContact CD1-CG2 4.13Å; Y418-I449 HydrophobicContact CD2-CG2 3.61Å; Y418-I449 HydrophobicContact CE1-CG2 4.11Å; Y418-I449 HydrophobicContact CE2-CG2 3.56Å; Y418-I449 HydrophobicContact CG-CG2 3.9Å; P424-I449 HydrophobicContact CB-CB 4.15Å; P424-I449 HydrophobicContact CB-CG2 3.82Å; P424-I449 HydrophobicContact CG-CG2 4.19Å; P424-I449 WeakPolarHBondContact O-CD1 3.42Å; V427-I449 HydrophobicContact CB-CD1 4.46Å; V427-I449 HydrophobicContact CG1-CD1 4.34Å; A428-I449 HydrophobicContact CB-CD1 4.09Å; V445-I449 HydrophobicContact CG1-CD1 4.38Å; V445-I449 VanDerWaalsContact O-CG1 3.32Å; V445-I449 WeakPolarHBondContact O-CG1 3.29Å; V445-I449 PolarHBondContact O-N 2.79Å; A446-I449 WeakPolarHBondContact O-CB 3.33Å; A446-I449 PolarHBondContact O-N 3.48Å; N447-I449 VanDerWaalsContact C-N 3.33Å; N447-I449 PolarHBondContact O-N 2.95Å; I449-E451 PolarHBondContact O-N 2.92Å; I449-N452 PolarHBondContact O-N 3.04Å; I449-T453 HydrophobicContact CG2-CG2 4.06Å; I449-T453 WeakPolarHBondContact O-CB 3.43Å; I449-T453 WeakPolarHBondContact O-CG2 3.34Å; I449-T453 PolarHBondContact O-N 2.9Å; I449-T453 PolarHBondContact O-OG1 3.1Å
450I75.1Confident64.3Low48 Ų4874 Ų7425%0.24640%0.404CS..Hα-helixtrans-59.1-42.9-176.1-67.4162.3000112.5P424 A446 N447 T453 K454 V457P424-I450 HydrophobicContact CB-CD1 4.13Å; P424-I450 HydrophobicContact CB-CG1 3.71Å; P424-I450 HydrophobicContact CG-CD1 4.38Å; P424-I450 HydrophobicContact CG-CG1 3.72Å; A446-I450 WeakPolarHBondContact O-CD1 3.12Å; A446-I450 VanDerWaalsContact O-CG1 3.28Å; A446-I450 WeakPolarHBondContact O-CG1 3.49Å; A446-I450 PolarHBondContact O-N 3.14Å; N447-I450 PolarHBondContact O-N 3.1Å; I450-T453 PolarHBondContact O-OG1 3.32Å; I450-K454 PolarHBondContact O-N 2.94Å; I450-V457 HydrophobicContact CG1-CG2 4.36Å
451E75.9Confident61.8Low147 Ų14771.4 Ų71.469%0.68741%0.406SS*.Hα-helixtrans-67.5-41.3178.3-73.5-177.5170.700111.8N447 I449N447-E451 WeakPolarHBondContact O-CB 3.35Å; N447-E451 WeakPolarHBondContact O-CG 3.34Å; N447-E451 PolarHBondContact O-N 3.23Å; I449-E451 PolarHBondContact O-N 2.92Å
452N72.2Confident59.4Low82 Ų8276.7 Ų76.744%0.43943%0.431SS..Hα-helixtrans-80-18.6-178.5-74.2-86.1000113.7F403 F448 I449F403-N452 HydrophobicContact CD1-CB 4.41Å; F403-N452 HydrophobicContact CE1-CB 3.65Å; F403-N452 HydrophobicContact CZ-CB 4.06Å; F448-N452 WeakPolarHBondContact CD2-ND2 3.44Å; F448-N452 WeakPolarHBondContact CE2-ND2 3.39Å; F448-N452 WeakPolarHBondContact O-CB 3.48Å; F448-N452 PolarHBondContact O-N 3.04Å; F448-N452 VanDerWaalsContact O-N 3.13Å; F448-N452 PolarHBondContact O-ND2 3.26Å; I449-N452 PolarHBondContact O-N 3.04Å
453T73.3Confident57Low10 Ų1082.1 Ų82.16%0.06146%0.459CS..Hα-helixtrans-96.1-4.1175.862.30000113.6Y401 F403 Y418 I449 I450Y401-T453 HydrophobicContact CD2-CG2 4.22Å; Y401-T453 HydrophobicContact CE2-CG2 4.25Å; F403-T453 HydrophobicContact CE2-CG2 4.17Å; F403-T453 HydrophobicContact CZ-CG2 3.78Å; Y418-T453 HydrophobicContact CD1-CG2 3.74Å; Y418-T453 HydrophobicContact CE1-CG2 3.43Å; Y418-T453 VanDerWaalsContact CE1-CG2 3.43Å; I449-T453 HydrophobicContact CG2-CG2 4.06Å; I449-T453 WeakPolarHBondContact O-CB 3.43Å; I449-T453 WeakPolarHBondContact O-CG2 3.34Å; I449-T453 PolarHBondContact O-N 2.9Å; I449-T453 PolarHBondContact O-OG1 3.1Å; I450-T453 PolarHBondContact O-OG1 3.32Å
454K54.3Low54.8Low183 Ų18381.1 Ų81.180%0.79647%0.472SS*.THydrogen-bonded Turntrans50.461.5177-69.4-171.9176.7-1790114.2I450 H456I450-K454 PolarHBondContact O-N 2.94Å; K454-H456 VanDerWaalsContact C-N 3.32Å; K454-H456 PolarHBondContact O-N 3.46Å
455G48.8Very low52.2Low63 Ų6378.6 Ų78.665%0.64948%0.482SS*.THydrogen-bonded Turntrans76.55.115500000117.3V457G455-V457 PolarHBondContact O-N 3.18Å
456H39.8Very low49.7Very low78 Ų7881.9 Ų81.936%0.36152%0.517SS..  trans-88.3100.9161.1-73.7-65000109.8V420 K454V420-H456 HydrophobicContact CG1-CB 3.61Å; K454-H456 VanDerWaalsContact C-N 3.32Å; K454-H456 PolarHBondContact O-N 3.46Å
457V33.8Very low47.4Very low63 Ų6388.4 Ų88.438%0.38255%0.552SS.*  trans-126103.9166.8-179.80000107.8P424 I450 G455P424-V457 HydrophobicContact CG-CB 4.5Å; P424-V457 HydrophobicContact CG-CG1 4.03Å; P424-V457 HydrophobicContact CG-CG2 3.64Å; I450-V457 HydrophobicContact CG1-CG2 4.36Å; G455-V457 PolarHBondContact O-N 3.18Å
458V36Very low45.5Very low100 Ų10090.2 Ų90.261%0.60657%0.568SS**  trans-100.698.5169.7178.90000107P460V458-P460 WeakPolarHBondContact O-CD 3.23Å
459G29.7Very low42.9Very low54 Ų5496.3 Ų96.356%0.55759%0.594SS**  trans-71.6126.2-179.400000112.5
460P29.7Very low41.1Very low92 Ų92102.2 Ų102.260%0.59763%0.631SS**  trans-84.1156.9172.333.5-33.2000112V458V458-P460 WeakPolarHBondContact O-CD 3.23Å
461A26.6Very low38.9Very low91 Ų91103.9 Ų103.975%0.75266%0.66SS**  trans-107.2161.4-176.300000114.5
462Q27.3Very low36.7Very low177 Ų177100.1 Ų100.183%0.82766%0.66SS**  trans86132.5163.6-56-160.33.300117
463I25.4Very low34.6Very low154 Ų154102.4 Ų102.479%0.7968%0.683SS**  cis-148.3146.6-2.1-106.8153.9000109.9
464G24.2Very low32.5Very low78 Ų78113.1 Ų113.180%0.80472%0.722SS**  trans110.996.5152.700000117.7
465G25.8Very low31.2Very low80 Ų80114.5 Ų114.583%0.82572%0.724SS**SBendtrans118.482.7155.400000117.7
466G28.1Very low30.4Very low76 Ų76116.9 Ų116.978%0.78473%0.726SS**  trans75.195.8150.500000118.5
467D31.2Very low29.7Very low136 Ų136118.3 Ų118.373%0.72774%0.742SS**  trans-79.6128166.2167.623.3000111.7
468P35.9Very low29.4Very low110 Ų110119 Ų11971%0.71476%0.762SS**  trans-105.463.7-178.440.7-34.1000115.1
469F30Very low28.9Very low200 Ų200119.9 Ų119.988%0.87777%0.772SS**  trans-116.217.2158.3-93.2-71.4000115.6
470T39.4Very low28.7Very low124 Ų124123.1 Ų123.176%0.76179%0.787SS**SBendtrans-89.4115.615359.30000109.9G472T470-G472 PolarHBondContact O-N 3.3Å; T470-G472 VanDerWaalsContact O-N 3.15Å
471G30.8Very low28.5Very low84 Ų84125.2 Ų125.287%0.86679%0.793SS**  trans-51.4119.617200000111.1
472G29.3Very low28.4Very low67 Ų67128 Ų12869%0.69180%0.795SS**  trans-82.8139.3-163.900000114.6T470T470-G472 PolarHBondContact O-N 3.3Å; T470-G472 VanDerWaalsContact O-N 3.15Å
473S28.4Very low28.3Very low131 Ų131123.1 Ų123.192%0.91679%0.792SS**  trans-164.890.9141.4-840000110
474R28Very low28.3Very low235 Ų235121.7 Ų121.789%0.88780%0.796SS**  trans-112.3121.8166.6-172-178.6-66.8-177.82.5109.2
475Y27.7Very low28.3Very low212 Ų212121 Ų12183%0.83179%0.788SS**  trans-69.5142.7171.8176.2-99.1000110.9
476V32.4Very low28.2Very low113 Ų113127.4 Ų127.469%0.68579%0.794SS**  trans-116.5128-174.1178.20000110.5
477P25.1Very low28.3Very low108 Ų108127.6 Ų127.670%0.70180%0.796SS**  trans-92.8126.6161.69.19.7000110.8
478G27.4Very low28Very low78 Ų78125.9 Ų125.980%0.80480%0.801SS**  trans-82.1169.6174.400000113.9
479S25.8Very low27.7Very low117 Ų117126.7 Ų126.782%0.81880%0.799SS**  trans-117.5136.4-175.649.90000113.2
480S25.3Very low27.7Very low123 Ų123123.2 Ų123.286%0.8680%0.797SS**  trans159.5147.815639.80000109.4
481N24.4Very low27.3Very low136 Ų136125.7 Ų125.773%0.72780%0.797SS**  cis-161.5163.1-19.6-175.638.4000108.8
482D25.2Very low27.6Very low148 Ų148128.8 Ų128.879%0.79180%0.799SS**  trans64.3139.8161.8-90.4-45.9000121.6
483G24.8Very low27.5Very low75 Ų75129.4 Ų129.477%0.77381%0.806SS**  trans166.561.7-17900000114.1
484S24.7Very low27.5Very low125 Ų125128.1 Ų128.187%0.87480%0.803SS**  trans-39.3146.5175.458.60000117.5
485G24.3Very low27.5Very low62 Ų62120.9 Ų120.964%0.63980%0.801SS**  trans149.3105.8142.300000119
486F24.1Very low27.6Very low216 Ų216121.6 Ų121.695%0.94780%0.802SS**  trans56.3120.4150.6-67.5-85.6000120.6
487G30Very low27.5Very low80 Ų80123 Ų12383%0.82580%0.796SS**  trans-78.5154.7165.300000112.9
488A25.2Very low28Very low100 Ų100124.7 Ų124.783%0.82680%0.798SS**  trans-140.7146.8167.500000110.5
489D29.6Very low27.9Very low127 Ų127125.5 Ų125.568%0.67979%0.789SS**  trans-66.3132.6-178.6177.6-5000111.9F491D489-F491 PolarHBondContact O-N 3.31Å
490P30.3Very low28.1Very low127 Ų127123.2 Ų123.283%0.82578%0.784SS**SBendtrans-7922.9-169.433.5-38.8000116
491F29.6Very low28.5Very low175 Ų175123.3 Ų123.377%0.76879%0.785SS**  trans-95.3117.1171.2-83.1-86.9000112.9D489D489-F491 PolarHBondContact O-N 3.31Å
492T38.2Very low28.5Very low149 Ų149122 Ų12291%0.91479%0.786SS**  trans97.6129.4166.773.50000119.1
493G27.4Very low28.5Very low80 Ų80119.9 Ų119.983%0.82578%0.783SS**  trans107.9118168.800000115.1
494A27.3Very low28.5Very low105 Ų105124.3 Ų124.387%0.86879%0.789SS**  cis-155.7154.3-12.600000110.5
495G27.7Very low28.6Very low82 Ų82123.2 Ų123.285%0.84579%0.788SS**  trans71.881.1155.400000118.9
496R30.9Very low28.7Very low227 Ų227126.1 Ų126.186%0.85780%0.798SS**  trans-134.8124.6153.6-132.9-177.3-165.1-167.26.7113.3
497Y31.1Very low28.8Very low142 Ų142120.4 Ų120.456%0.55779%0.791SS**  trans-66.4132.6174.3162.4-89.4000111.6P499 Q550Y497-P499 HydrophobicContact CD1-CG 4.42Å; Y497-P499 HydrophobicContact CE1-CG 3.77Å; Y497-Q550 HydrophobicContact CE2-CB 4.25Å; Y497-Q550 HydrophobicContact CE2-CG 4.18Å; Y497-Q550 VanDerWaalsContact OH-CB 3.29Å; Y497-Q550 WeakPolarHBondContact OH-CB 3.39Å; Y497-Q550 VanDerWaalsContact OH-CD 3.24Å; Y497-Q550 PolarHBondContact OH-OE1 3.24Å
498I34.4Very low28.7Very low145 Ų145122.3 Ų122.374%0.74479%0.789SS**  trans-128.7120.4173.7-57.1175.6000107.2G500I498-G500 PolarHBondContact O-N 2.7Å; I498-G500 VanDerWaalsContact O-N 3.13Å
499P26.4Very low28.8Very low95 Ų95123.5 Ų123.562%0.61779%0.791SS**  trans-69.9108.4172.1-14.529000109.8Y497Y497-P499 HydrophobicContact CD1-CG 4.42Å; Y497-P499 HydrophobicContact CE1-CG 3.77Å
500G28.1Very low28.6Very low69 Ų69120.8 Ų120.871%0.71179%0.793SS**  trans-103.9153.5-179.100000113.5I498I498-G500 PolarHBondContact O-N 2.7Å; I498-G500 VanDerWaalsContact O-N 3.13Å
501S33.8Very low28.7Very low125 Ų125122.2 Ų122.287%0.87480%0.799SS**  trans-76.9146.5-178.452.80000115.6
502S25.6Very low28.6Very low107 Ų107118.8 Ų118.875%0.74880%0.803SS**  trans-156.8126.4156.541.20000106.9
503S25.3Very low28.5Very low105 Ų105117.1 Ų117.173%0.73479%0.789SS**  cis99.999.647.573.10000112.8
504N25.4Very low29Very low167 Ų167119.2 Ų119.289%0.89379%0.788SS**  trans51.3111.2159.1-66.20.2000121.1
505A25.2Very low29.7Very low102 Ų102120 Ų12084%0.84377%0.772SS**  -155.7148124.500000111.6
506S26.6Very low30.4Very low124 Ų124121.8 Ų121.887%0.86777%0.766SS**  trans-51.2147.6-175.448.10000118.3
507A26.8Very low30.5Very low96 Ų96114.2 Ų114.279%0.79376%0.759SS**  trans-128.5160.9166.800000111.6
508P27.2Very low30.4Very low120 Ų120118.1 Ų118.178%0.77978%0.779SS**  trans-105.2116.4157.530.4-18.5000112.4
509S27.9Very low30.3Very low124 Ų124115.1 Ų115.187%0.86778%0.784SS**  trans31.1115.3149.759.30000121.5
510G25.4Very low30.6Very low71 Ų71115 Ų11573%0.73279%0.79SS**  trans-177.385.2160.200000113.9
511V32.9Very low30.8Very low156 Ų156123.2 Ų123.295%0.94580%0.802SS**  trans25.8115.9162.8-163.30000118.5
512A27.2Very low30.5Very low103 Ų103123 Ų12385%0.85180%0.8SS**  trans-134.6156.9-177.100000116.1
513D36.5Very low31Very low115 Ų115123.7 Ų123.762%0.61581%0.805SS**  trans-82.6146.1-171.1176.6-39.7000114.1F515D513-F515 PolarHBondContact O-N 2.97Å; D513-F515 PolarHBondContact OD1-N 3.33Å; D513-F515 VanDerWaalsContact OD1-N 3.09Å
514P36.6Very low31Very low123 Ų123122.9 Ų122.980%0.79981%0.805SS**G310 helixtrans-63.6-14.3-175.9-24.235.4000119.2T516P514-T516 PolarHBondContact O-N 2.91Å
515F41.8Very low31.8Very low123 Ų123120.1 Ų120.154%0.53981%0.806SS.*G310 helixtrans-83.85.4-167.2-100.9-95.2000117.6D513 K537D513-F515 PolarHBondContact O-N 2.97Å; D513-F515 PolarHBondContact OD1-N 3.33Å; D513-F515 VanDerWaalsContact OD1-N 3.09Å; F515-K537 VanDerWaalsContact CE2-NZ 3.33Å
516T44.4Very low32.1Very low118 Ų118123.9 Ų123.972%0.72481%0.806SS**G310 helixtrans-131.833.5-176.550.80000117.8P514P514-T516 PolarHBondContact O-N 2.91Å
517G31.6Very low32.6Very low68 Ų68130 Ų13070%0.70181%0.81SS**  trans95.2137138.600000121.9
518K30.2Very low33.1Very low224 Ų224134.5 Ų134.597%0.97481%0.814SS**  trans79.2120.6166.6-64.4-168.3176.8-175.10119.4
519G31.6Very low33.7Very low83 Ų83134.5 Ų134.586%0.85681%0.812SS**  trans127.862.6148.700000117
520A33.1Very low34.8Very low91 Ų91132.2 Ų132.275%0.75280%0.796SS**  trans-93.3116.4170.700000111.3
521Y30.9Very low36.9Very low242 Ų242133.8 Ų133.895%0.94979%0.792SS**  trans-161.4112.5148.4-88.8-62.9000110.6
522S28.5Very low39.4Very low121 Ų121129 Ų12985%0.84676%0.761SS**  trans-154.9116.6153-178.20000108.1
523S35.4Very low42.5Very low121 Ų121130.1 Ų130.185%0.84675%0.751SS**  trans-86.6117-176.753.60000111.5
524A26.7Very low45.2Very low88 Ų88126.5 Ų126.573%0.72773%0.729SS**  trans-146120.8158.800000109.3Q526A524-Q526 PolarHBondContact O-N 2.72Å
525A41.8Very low48Very low110 Ų110121 Ų12191%0.90969%0.693SS**  trans-77.2114.9-177.400000111
526Q31.3Very low50.4Low181 Ų181118 Ų11885%0.84669%0.686SS**  trans-144.6144.6167.4-107.6163.3-14.300110.8A524 Q528A524-Q526 PolarHBondContact O-N 2.72Å; Q526-Q528 PolarHBondContact O-N 3.02Å
527R37.6Very low52.7Low252 Ų252114.5 Ų114.595%0.95166%0.661SS**  trans-55.4115.5-166.4-65.9167.9177.2160.7-2.6111.8T529R527-T529 PolarHBondContact O-N 2.88Å; R527-T529 VanDerWaalsContact O-N 3.14Å
528Q37.6Very low55.4Low191 Ų191114 Ų11489%0.89364%0.644SS**  trans-75.399.2177.6-73.7178.2-30.500111.7Q526Q526-Q528 PolarHBondContact O-N 3.02Å
529T38.9Very low58.1Low120 Ų120108.6 Ų108.674%0.73663%0.626SS**  trans-72.2114.213947.30000107.1R527 T531R527-T529 PolarHBondContact O-N 2.88Å; R527-T529 VanDerWaalsContact O-N 3.14Å; T529-T531 VanDerWaalsContact C-N 3.35Å; T529-T531 PolarHBondContact O-N 3.47Å
530S51.3Low60.5Low75 Ų75105.8 Ų105.852%0.52460%0.596SS.*  trans-70.486.9-179.8480000111.2N532S530-N532 PolarHBondContact O-N 3.49Å
531T69.8Low63.4Low105 Ų105102.3 Ų102.364%0.64457%0.566SS**  trans-64.5121.8168.949.30000108.7T529 I533T529-T531 VanDerWaalsContact C-N 3.35Å; T529-T531 PolarHBondContact O-N 3.47Å; T531-I533 PolarHBondContact O-N 2.94Å
532N85.3Confident66.3Low54 Ų5492.5 Ų92.529%0.28953%0.531SS..  trans-68.2115.1177.8-170.3-8.1000109.8S530 Y534 F535 L792S530-N532 PolarHBondContact O-N 3.49Å; N532-Y534 PolarHBondContact OD1-N 3.38Å; N532-F535 VanDerWaalsContact CG-O 3.23Å; N532-F535 VanDerWaalsContact ND2-CD2 3.31Å; N532-F535 WeakPolarHBondContact ND2-CD2 3.39Å; N532-F535 WeakPolarHBondContact ND2-CE1 3.41Å; N532-F535 WeakPolarHBondContact ND2-CE2 3.39Å; N532-F535 WeakPolarHBondContact ND2-CZ 3.27Å; N532-F535 PolarHBondContact ND2-O 3.33Å; N532-F535 VanDerWaalsContact ND2-O 3.16Å; N532-F535 PolarHBondContact OD1-N 2.84Å; N532-F535 PolarHBondContact OD1-O 2.88Å; N532-L792 HydrophobicContact CB-CD1 4.35Å; N532-L792 HydrophobicContact CB-CD2 4.22Å
533I91.6Very high69.4Low128 Ų12887.4 Ų87.466%0.65649%0.494SS*.  trans-108.6-1.6178.361.6170.4000112.7T531T531-I533 PolarHBondContact O-N 2.94Å
534Y94Very high72Confident38 Ų3885.7 Ų85.715%0.14947%0.472CS..SBendtrans-98.9-38.6-170-64.6-60.5000112.3N532 F745 V749 K785 E788 C789 L792N532-Y534 PolarHBondContact OD1-N 3.38Å; Y534-F745 AromaticContact CD1-CE2 3.8Å; Y534-F745 HydrophobicContact CD1-CE2 3.8Å; Y534-F745 AromaticContact CD1-CZ 3.75Å; Y534-F745 HydrophobicContact CD1-CZ 3.75Å; Y534-F745 AromaticContact CE1-CE2 3.96Å; Y534-F745 HydrophobicContact CE1-CE2 3.96Å; Y534-F745 HydrophobicContact CE1-CZ 4.05Å; Y534-F745 HydrophobicContact CG-CE2 4.49Å; Y534-V749 WeakPolarHBondContact O-CG1 3.39Å; Y534-K785 HydrophobicContact CE1-CB 3.9Å; Y534-K785 WeakPolarHBondContact OH-CA 3.47Å; Y534-K785 WeakPolarHBondContact OH-CB 3.16Å; Y534-E788 HydrophobicContact CE2-CB 3.82Å; Y534-E788 PolarHBondContact OH-OE2 2.92Å; Y534-C789 HydrophobicContact CD2-CB 3.8Å; Y534-C789 HydrophobicContact CE2-CB 4.26Å; Y534-C789 HydrophobicContact CG-CB 3.96Å; Y534-L792 HydrophobicContact CD2-CD1 3.74Å; Y534-L792 HydrophobicContact CE2-CD1 4.16Å
535F94Very high75Confident8 Ų887.9 Ų87.94%0.03547%0.468CS..  trans-150.4160.3-177.362.3-96.5000110.6N532 V749 G752 T753 A756 L792 V793 E796N532-F535 VanDerWaalsContact CG-O 3.23Å; N532-F535 VanDerWaalsContact ND2-CD2 3.31Å; N532-F535 WeakPolarHBondContact ND2-CD2 3.39Å; N532-F535 WeakPolarHBondContact ND2-CE1 3.41Å; N532-F535 WeakPolarHBondContact ND2-CE2 3.39Å; N532-F535 WeakPolarHBondContact ND2-CZ 3.27Å; N532-F535 PolarHBondContact ND2-O 3.33Å; N532-F535 VanDerWaalsContact ND2-O 3.16Å; N532-F535 PolarHBondContact OD1-N 2.84Å; N532-F535 PolarHBondContact OD1-O 2.88Å; F535-V749 HydrophobicContact CB-CG1 4.28Å; F535-G752 VanDerWaalsContact CD2-O 3.28Å; F535-G752 WeakPolarHBondContact CD2-O 3.41Å; F535-T753 WeakPolarHBondContact CB-OG1 3.3Å; F535-A756 HydrophobicContact CD2-CB 3.99Å; F535-A756 HydrophobicContact CE2-CB 4.26Å; F535-L792 HydrophobicContact CE1-CB 3.86Å; F535-L792 HydrophobicContact CZ-CB 3.98Å; F535-V793 HydrophobicContact CD1-CG2 4.19Å; F535-V793 HydrophobicContact CE1-CB 4.44Å; F535-V793 HydrophobicContact CE1-CG2 3.45Å; F535-V793 VanDerWaalsContact CE1-CG2 3.45Å; F535-V793 HydrophobicContact CZ-CB 4.41Å; F535-V793 HydrophobicContact CZ-CG2 3.79Å; F535-E796 HydrophobicContact CE2-CG 3.83Å; F535-E796 HydrophobicContact CZ-CG 4.07Å
536P93.6Very high77.2Confident61 Ų6185 Ų8540%0.39644%0.444SS..  cis-68.8140.40.529.4-35.6000113.4H716 T753 A756P536-H716 WeakPolarHBondContact CB-CE1 3.36Å; P536-H716 WeakPolarHBondContact CB-NE2 3.48Å; P536-T753 HydrophobicContact CB-CG2 4.14Å; P536-A756 HydrophobicContact CB-CB 4.25Å; P536-A756 HydrophobicContact CG-CB 4.44Å
537K91.6Very high80Confident44 Ų4479.8 Ų79.819%0.19142%0.421CS..  trans-112.293.2177.3-177.687.8-173.6176.90109.1F515 L709 G713 V749 T753F515-K537 VanDerWaalsContact CE2-NZ 3.33Å; K537-L709 HydrophobicContact CB-CD1 4.12Å; K537-L709 HydrophobicContact CG-CD1 4.32Å; K537-G713 VanDerWaalsContact O-CA 3.24Å; K537-G713 WeakPolarHBondContact O-CA 3.43Å; K537-V749 HydrophobicContact CB-CG1 3.98Å; K537-T753 PolarHBondContact N-OG1 3.23Å
538T89.4Confident82.5Confident56 Ų5668.3 Ų68.334%0.34438%0.38SS..  trans-88.2-16.6-177.749.50000114H716T538-H716 HydrophobicContact CG2-CB 4.1Å
539D85.5Confident85.1Confident112 Ų11263.9 Ų63.960%0.59937%0.368SS*.SBendtrans-77.6128.7175.8-61.2-51.8000111.8V541D539-V541 PolarHBondContact O-N 3.39Å
540G83.8Confident87.6Confident23 Ų2361.6 Ų61.624%0.23735%0.349CS..PPolyproline II helixtrans-63.8122.2177.200000111.7
541V92.4Very high89.6Confident19 Ų1958.4 Ų58.412%0.11533%0.326CS..PPolyproline II helixtrans-87130.2-179.9-179.70000110.1D539 T706 L709 N710D539-V541 PolarHBondContact O-N 3.39Å; V541-T706 HydrophobicContact CB-CG2 3.77Å; V541-T706 HydrophobicContact CG1-CG2 3.72Å; V541-T706 WeakPolarHBondContact O-CG2 3.37Å; V541-L709 HydrophobicContact CG2-CD2 4Å; V541-N710 PolarHBondContact N-OD1 3.25Å; V541-N710 PolarHBondContact O-ND2 3.09Å
542T92.9Very high90.8Very high35 Ų3554 Ų5422%0.21530%0.299CS..  trans-115.5160.7-170.251.60000112.8E544 N667 S670T542-E544 WeakPolarHBondContact CB-OE1 3.29Å; T542-E544 WeakPolarHBondContact OG1-CG 3.21Å; T542-E544 PolarHBondContact OG1-OE1 3.19Å; T542-N667 WeakPolarHBondContact CA-OD1 3.38Å; T542-S670 WeakPolarHBondContact CG2-OG 3.45Å
543F93.8Very high91.2Very high14 Ų1454.2 Ų54.26%0.06131%0.308CS..  trans-109.892.4171.5-69.8-82.6000109.5R620 R663 C666 N667 I702 A703 T706F543-R620 PolarHBondContact O-NH1 3.08Å; F543-R663 HydrophobicContact CB-CB 4.29Å; F543-R663 HydrophobicContact CB-CG 4.04Å; F543-R663 HydrophobicContact CD1-CG 4.2Å; F543-R663 HydrophobicContact CD2-CB 4.13Å; F543-R663 HydrophobicContact CD2-CG 3.66Å; F543-R663 HydrophobicContact CE2-CG 4.13Å; F543-R663 HydrophobicContact CG-CB 4.32Å; F543-R663 HydrophobicContact CG-CG 3.69Å; F543-C666 HydrophobicContact CD2-CB 3.88Å; F543-C666 HydrophobicContact CE2-CB 3.96Å; F543-N667 PolarHBondContact N-OD1 3.25Å; F543-N667 PolarHBondContact O-ND2 2.6Å; F543-I702 HydrophobicContact CE1-CG2 4.19Å; F543-I702 HydrophobicContact CZ-CG2 4.2Å; F543-A703 HydrophobicContact CE2-CB 4.23Å; F543-A703 HydrophobicContact CZ-CB 4.11Å; F543-T706 HydrophobicContact CE2-CG2 3.74Å; F543-T706 HydrophobicContact CZ-CG2 4.12Å; F543-T706 WeakPolarHBondContact CZ-OG1 3.46Å
544E90.1Very high91.3Very high86 Ų8651.2 Ų51.240%0.40229%0.29SS..  trans-101.3-23.6-168.2-42.7-155146.600113.3T542 A546 R624T542-E544 WeakPolarHBondContact CB-OE1 3.29Å; T542-E544 WeakPolarHBondContact OG1-CG 3.21Å; T542-E544 PolarHBondContact OG1-OE1 3.19Å; E544-A546 PolarHBondContact O-N 3.43Å; E544-R624 IonicContact OE1-CZ 2.69Å; E544-R624 VanDerWaalsContact OE1-CZ 3.23Å; E544-R624 IonicContact OE1-NE 3.57Å; E544-R624 PolarHBondContact OE1-NE 3.02Å; E544-R624 IonicContact OE1-NH2 3.72Å; E544-R624 PolarHBondContact OE1-NH2 3.37Å; E544-R624 IonicContact OE2-CZ 2.7Å; E544-R624 IonicContact OE2-NH2 3.27Å; E544-R624 PolarHBondContact OE2-NH2 3.48Å
545Q88.3Confident91.4Very high134 Ų13449.4 Ų49.463%0.62628%0.283SS*.  trans-64.2130.5-175.9-60.278.113.600110.5R620Q545-R620 PolarHBondContact O-NH1 2.91Å; Q545-R620 PolarHBondContact O-NH2 3.35Å
546A88Confident91.4Very high49 Ų4952.6 Ų52.641%0.40530%0.297SS..  trans-146.3151.2-178.400000110.4E544 I551 L621E544-A546 PolarHBondContact O-N 3.43Å; A546-I551 HydrophobicContact CB-CD1 4.34Å; A546-L621 HydrophobicContact CB-CD1 3.5Å; A546-L621 VanDerWaalsContact CB-CD1 3.5Å; A546-L621 HydrophobicContact CB-CD2 4Å; A546-L621 HydrophobicContact CB-CG 4.41Å
547N90.3Very high91.5Very high71 Ų7154.8 Ų54.838%0.3830%0.302SS..  trans-12190.9163.4-174.3-41.4000107P549 Q550 I551N547-P549 VanDerWaalsContact OD1-CD 3.31Å; N547-P549 WeakPolarHBondContact OD1-CD 3.27Å; N547-Q550 HydrophobicContact CB-CB 4.11Å; N547-Q550 HydrophobicContact CB-CG 4.28Å; N547-Q550 VanDerWaalsContact CB-OE1 3.27Å; N547-Q550 VanDerWaalsContact CG-CD 3.49Å; N547-Q550 VanDerWaalsContact ND2-CD 3.32Å; N547-Q550 PolarHBondContact ND2-OE1 3.07Å; N547-Q550 PolarHBondContact O-N 3.27Å; N547-Q550 WeakPolarHBondContact OD1-CG 3.48Å; N547-Q550 PolarHBondContact OD1-N 2.66Å; N547-Q550 VanDerWaalsContact OD1-N 3.15Å; N547-I551 WeakPolarHBondContact O-CG1 3.25Å; N547-I551 PolarHBondContact O-N 3.37Å
548A90.4Very high91.7Very high11 Ų1154 Ų549%0.09130%0.299CS..Hα-helixtrans-56-45.1-174.300000113Q550 I551 I552 L580A548-Q550 VanDerWaalsContact C-N 3.3Å; A548-Q550 PolarHBondContact O-N 3.03Å; A548-I551 PolarHBondContact O-N 3.05Å; A548-I552 WeakPolarHBondContact O-CG1 3.22Å; A548-I552 PolarHBondContact O-N 3.11Å; A548-L580 HydrophobicContact CB-CD2 3.75Å; A548-L580 HydrophobicContact CB-CG 3.95Å
549P91.8Very high92Very high98 Ų9851.5 Ų51.564%0.63628%0.284SS*.Hα-helixtrans-52.7-42.1172.3-29.535.3000114.5N547 A553N547-P549 VanDerWaalsContact OD1-CD 3.31Å; N547-P549 WeakPolarHBondContact OD1-CD 3.27Å; P549-A553 VanDerWaalsContact O-CB 3.27Å; P549-A553 WeakPolarHBondContact O-CB 3.23Å; P549-A553 PolarHBondContact O-N 2.91Å
550Q92.4Very high92.4Very high73 Ų7353 Ų5334%0.34129%0.288SS..Hα-helixtrans-72.5-36.6179.9-69.9176.4-37.500112.8Y497 N547 A548 K554Y497-Q550 HydrophobicContact CE2-CB 4.25Å; Y497-Q550 HydrophobicContact CE2-CG 4.18Å; Y497-Q550 VanDerWaalsContact OH-CB 3.29Å; Y497-Q550 WeakPolarHBondContact OH-CB 3.39Å; Y497-Q550 VanDerWaalsContact OH-CD 3.24Å; Y497-Q550 PolarHBondContact OH-OE1 3.24Å; N547-Q550 HydrophobicContact CB-CB 4.11Å; N547-Q550 HydrophobicContact CB-CG 4.28Å; N547-Q550 VanDerWaalsContact CB-OE1 3.27Å; N547-Q550 VanDerWaalsContact CG-CD 3.49Å; N547-Q550 VanDerWaalsContact ND2-CD 3.32Å; N547-Q550 PolarHBondContact ND2-OE1 3.07Å; N547-Q550 PolarHBondContact O-N 3.27Å; N547-Q550 WeakPolarHBondContact OD1-CG 3.48Å; N547-Q550 PolarHBondContact OD1-N 2.66Å; N547-Q550 VanDerWaalsContact OD1-N 3.15Å; A548-Q550 VanDerWaalsContact C-N 3.3Å; A548-Q550 PolarHBondContact O-N 3.03Å; Q550-K554 WeakPolarHBondContact O-CB 3.29Å; Q550-K554 PolarHBondContact O-N 2.75Å
551I93.6Very high92.6Very high8 Ų855.2 Ų55.24%0.04131%0.31CS..Hα-helixtrans-62.4-47.4174.2-65.2168.8000110.1A546 N547 A548 K554 L555 L580 D617 I618 L621A546-I551 HydrophobicContact CB-CD1 4.34Å; N547-I551 WeakPolarHBondContact O-CG1 3.25Å; N547-I551 PolarHBondContact O-N 3.37Å; A548-I551 PolarHBondContact O-N 3.05Å; I551-K554 PolarHBondContact O-N 2.97Å; I551-L555 WeakPolarHBondContact O-CB 3.49Å; I551-L555 PolarHBondContact O-N 3.49Å; I551-L580 HydrophobicContact CB-CD2 3.93Å; I551-L580 HydrophobicContact CD1-CD1 4.45Å; I551-L580 HydrophobicContact CD1-CD2 4.33Å; I551-L580 HydrophobicContact CG2-CD2 3.8Å; I551-D617 HydrophobicContact CD1-CB 4.25Å; I551-D617 HydrophobicContact CG1-CB 4.38Å; I551-D617 WeakPolarHBondContact CG1-OD2 3.14Å; I551-D617 HydrophobicContact CG2-CB 4.42Å; I551-I618 HydrophobicContact CG2-CD1 4.3Å; I551-I618 HydrophobicContact CG2-CG1 3.75Å; I551-L621 HydrophobicContact CD1-CD1 4.05Å
552I93.7Very high92.6Very high12 Ų1254.8 Ų54.86%0.06231%0.309CS..Hα-helixtrans-67.9-41.3179.7-63.4-56.3000112A548 K554 L555 K556 E577 L580 I618A548-I552 WeakPolarHBondContact O-CG1 3.22Å; A548-I552 PolarHBondContact O-N 3.11Å; I552-K554 VanDerWaalsContact C-N 3.29Å; I552-K554 PolarHBondContact O-N 3.42Å; I552-L555 HydrophobicContact CD1-CD2 4.46Å; I552-L555 PolarHBondContact O-N 2.95Å; I552-K556 HydrophobicContact CG2-CD 3.94Å; I552-K556 VanDerWaalsContact CG2-CE 3.49Å; I552-K556 WeakPolarHBondContact O-CG 3.4Å; I552-K556 PolarHBondContact O-N 3.04Å; I552-E577 HydrophobicContact CD1-CB 3.9Å; I552-E577 HydrophobicContact CD1-CG 4.14Å; I552-E577 HydrophobicContact CG1-CB 4.42Å; I552-E577 HydrophobicContact CG1-CG 4.1Å; I552-E577 HydrophobicContact CG2-CG 4.26Å; I552-L580 HydrophobicContact CD1-CD2 3.72Å; I552-L580 HydrophobicContact CG1-CD2 3.8Å; I552-I618 HydrophobicContact CD1-CD1 4.47Å
553A93.7Very high92.4Very high59 Ų5956.3 Ų56.349%0.48832%0.319SS..Hα-helixtrans-58-43.517400000111.2P549 K556 E557P549-A553 VanDerWaalsContact O-CB 3.27Å; P549-A553 WeakPolarHBondContact O-CB 3.23Å; P549-A553 PolarHBondContact O-N 2.91Å; A553-K556 PolarHBondContact O-N 3.04Å; A553-E557 WeakPolarHBondContact O-CB 3.4Å; A553-E557 PolarHBondContact O-N 3.35Å
554K95.3Very high92.2Very high64 Ų6463.4 Ų63.428%0.27835%0.353SS..Hα-helixtrans-72.5-34.2179.1-165.152.8167.4-178.70113.2Q550 I551 I552 E557 L558 F613 P614Q550-K554 WeakPolarHBondContact O-CB 3.29Å; Q550-K554 PolarHBondContact O-N 2.75Å; I551-K554 PolarHBondContact O-N 2.97Å; I552-K554 VanDerWaalsContact C-N 3.29Å; I552-K554 PolarHBondContact O-N 3.42Å; K554-E557 HydrophobicContact CD-CB 4.4Å; K554-E557 WeakPolarHBondContact CD-OE2 3.21Å; K554-E557 WeakPolarHBondContact CE-OE2 3.2Å; K554-E557 IonicContact NZ-OE1 3.3Å; K554-E557 PolarHBondContact NZ-OE1 3.13Å; K554-E557 IonicContact NZ-OE2 3.36Å; K554-E557 PolarHBondContact NZ-OE2 3.49Å; K554-L558 HydrophobicContact CD-CD1 4.41Å; K554-L558 HydrophobicContact CD-CG 4.22Å; K554-L558 HydrophobicContact CG-CD1 4.22Å; K554-L558 HydrophobicContact CG-CG 4.46Å; K554-L558 VanDerWaalsContact O-CG 3.32Å; K554-L558 WeakPolarHBondContact O-CG 3.4Å; K554-L558 PolarHBondContact O-N 2.81Å; K554-L558 VanDerWaalsContact O-N 3.08Å; K554-F613 HydrophobicContact CD-CZ 4.3Å; K554-F613 HydrophobicContact CG-CE2 3.86Å; K554-F613 HydrophobicContact CG-CZ 3.73Å; K554-P614 HydrophobicContact CB-CG 4.2Å; K554-P614 HydrophobicContact CG-CG 3.91Å
555L94.4Very high92.1Very high1 Ų167.1 Ų67.11%0.00537%0.37CS..Hα-helixtrans-60.4-45.8171.8179.762.6000111.2I551 I552 N559 L568 L576 W607 P614 V615 I618I551-L555 WeakPolarHBondContact O-CB 3.49Å; I551-L555 PolarHBondContact O-N 3.49Å; I552-L555 HydrophobicContact CD1-CD2 4.46Å; I552-L555 PolarHBondContact O-N 2.95Å; L555-N559 VanDerWaalsContact O-CB 3.28Å; L555-N559 WeakPolarHBondContact O-CB 3.22Å; L555-N559 PolarHBondContact O-N 3.07Å; L555-L568 HydrophobicContact CD1-CD1 4.17Å; L555-L576 HydrophobicContact CD2-CB 4.34Å; L555-L576 HydrophobicContact CD2-CD1 4.09Å; L555-W607 HydrophobicContact CD1-CH2 4.15Å; L555-W607 HydrophobicContact CD1-CZ3 3.79Å; L555-P614 HydrophobicContact CB-CB 4.05Å; L555-P614 HydrophobicContact CD1-CB 4.48Å; L555-V615 HydrophobicContact CD1-CG2 3.85Å; L555-I618 HydrophobicContact CD2-CD1 4.15Å
556K95.4Very high92.1Very high74 Ų7464 Ų6432%0.32236%0.355SS..Hα-helixtrans-64.6-48.8178-71.8171.3-178.5169.30111.5I552 A553 L558 N559 E560 M573 E577I552-K556 HydrophobicContact CG2-CD 3.94Å; I552-K556 VanDerWaalsContact CG2-CE 3.49Å; I552-K556 WeakPolarHBondContact O-CG 3.4Å; I552-K556 PolarHBondContact O-N 3.04Å; A553-K556 PolarHBondContact O-N 3.04Å; K556-L558 VanDerWaalsContact C-N 3.35Å; K556-L558 PolarHBondContact O-N 2.8Å; K556-N559 PolarHBondContact O-N 3.22Å; K556-N559 VanDerWaalsContact O-N 3.13Å; K556-E560 WeakPolarHBondContact O-CG 3.17Å; K556-E560 PolarHBondContact O-N 3.22Å; K556-M573 HydrophobicContact CG-SD 4.05Å; K556-E577 WeakPolarHBondContact CE-OE2 3.05Å; K556-E577 IonicContact NZ-OE1 3.95Å; K556-E577 IonicContact NZ-OE2 3.08Å; K556-E577 PolarHBondContact NZ-OE2 3.42Å
557E95.5Very high92.3Very high107 Ų10766.1 Ų66.150%0.536%0.355SS..Hα-helixtrans-54.1-46.9177-169.7-154.8132.600112.5A553 K554A553-E557 WeakPolarHBondContact O-CB 3.4Å; A553-E557 PolarHBondContact O-N 3.35Å; K554-E557 HydrophobicContact CD-CB 4.4Å; K554-E557 WeakPolarHBondContact CD-OE2 3.21Å; K554-E557 WeakPolarHBondContact CE-OE2 3.2Å; K554-E557 IonicContact NZ-OE1 3.3Å; K554-E557 PolarHBondContact NZ-OE1 3.13Å; K554-E557 IonicContact NZ-OE2 3.36Å; K554-E557 PolarHBondContact NZ-OE2 3.49Å
558L94.9Very high92.5Very high27 Ų2763.8 Ų63.814%0.14134%0.343CS..Hα-helixtrans-74.8-29.3180-62.7179.4000112.7K554 K556 G561 A562 W607 I611 F613 P614K554-L558 HydrophobicContact CD-CD1 4.41Å; K554-L558 HydrophobicContact CD-CG 4.22Å; K554-L558 HydrophobicContact CG-CD1 4.22Å; K554-L558 HydrophobicContact CG-CG 4.46Å; K554-L558 VanDerWaalsContact O-CG 3.32Å; K554-L558 WeakPolarHBondContact O-CG 3.4Å; K554-L558 PolarHBondContact O-N 2.81Å; K554-L558 VanDerWaalsContact O-N 3.08Å; K556-L558 VanDerWaalsContact C-N 3.35Å; K556-L558 PolarHBondContact O-N 2.8Å; L558-G561 PolarHBondContact O-N 2.68Å; L558-A562 WeakPolarHBondContact O-CB 3.36Å; L558-A562 PolarHBondContact O-N 3.28Å; L558-W607 HydrophobicContact CB-CH2 4.23Å; L558-W607 HydrophobicContact CB-CZ3 4.26Å; L558-I611 HydrophobicContact CB-CB 4.19Å; L558-I611 HydrophobicContact CB-CG2 4.26Å; L558-I611 HydrophobicContact CD1-CB 4.18Å; L558-I611 HydrophobicContact CD1-CG2 4.43Å; L558-I611 WeakPolarHBondContact CD1-O 3.2Å; L558-I611 HydrophobicContact CD2-CG2 4.21Å; L558-F613 HydrophobicContact CD1-CD1 4.26Å; L558-F613 HydrophobicContact CD1-CE1 3.51Å; L558-F613 HydrophobicContact CD1-CZ 3.81Å; L558-P614 HydrophobicContact CD1-CG 3.78Å
559N95.6Very high92.6Very high4 Ų466 Ų662%0.02136%0.357CS..Hα-helixtrans-71.4-32.9175.7-169.549000112.7L555 K556 G561 A562 K567 L568 M573 W607L555-N559 VanDerWaalsContact O-CB 3.28Å; L555-N559 WeakPolarHBondContact O-CB 3.22Å; L555-N559 PolarHBondContact O-N 3.07Å; K556-N559 PolarHBondContact O-N 3.22Å; K556-N559 VanDerWaalsContact O-N 3.13Å; N559-G561 VanDerWaalsContact C-N 3.32Å; N559-G561 PolarHBondContact O-N 3.14Å; N559-A562 PolarHBondContact O-N 3.28Å; N559-K567 WeakPolarHBondContact O-CE 3.44Å; N559-L568 PolarHBondContact ND2-O 3.24Å; N559-L568 WeakPolarHBondContact OD1-CB 3.46Å; N559-L568 WeakPolarHBondContact OD1-CG 3.38Å; N559-L568 PolarHBondContact OD1-N 3.38Å; N559-M573 HydrophobicContact CB-SD 4.04Å; N559-M573 WeakPolarHBondContact ND2-CE 3.43Å; N559-M573 PolarHBondContact ND2-SD 3.5Å; N559-W607 HydrophobicContact CB-CH2 3.86Å; N559-W607 HydrophobicContact CB-CZ2 4.11Å
560E93.4Very high92.6Very high145 Ų14567.5 Ų67.568%0.67836%0.36SS*.Hα-helixtrans-60.1-44.3174-76.4175.1-167.800111.3K556 K567K556-E560 WeakPolarHBondContact O-CG 3.17Å; K556-E560 PolarHBondContact O-N 3.22Å; E560-K567 PolarHBondContact O-NZ 3.49Å
561G89.6Confident92.6Very high69 Ų6970.7 Ų70.771%0.71138%0.379SS*.THydrogen-bonded Turntrans-85.7-1.6178.200000116.3L558 N559L558-G561 PolarHBondContact O-N 2.68Å; N559-G561 VanDerWaalsContact C-N 3.32Å; N559-G561 PolarHBondContact O-N 3.14Å
562A91.2Very high92.5Very high10 Ų1071.4 Ų71.48%0.08338%0.384CS..SBendtrans-69.6147.8-177.600000112.6L558 N559 W607 I611L558-A562 WeakPolarHBondContact O-CB 3.36Å; L558-A562 PolarHBondContact O-N 3.28Å; N559-A562 PolarHBondContact O-N 3.28Å; A562-W607 HydrophobicContact CB-CZ2 3.99Å; A562-I611 HydrophobicContact CB-CD1 3.98Å
563P89.4Confident92.5Very high66 Ų6671.9 Ų71.943%0.42939%0.386SS..  trans-53.8147.2169.4-25.935.2000112.1E565 H566 K567P563-E565 HydrophobicContact CB-CG 4.25Å; P563-E565 PolarHBondContact O-N 3.21Å; P563-E565 VanDerWaalsContact O-N 3.11Å; P563-H566 CarbonylContact O-C 3.55Å; P563-H566 WeakPolarHBondContact O-CA 3.28Å; P563-H566 PolarHBondContact O-N 3.24Å; P563-K567 PolarHBondContact O-N 3.47Å
564Q88.4Confident92.4Very high164 Ų16470.5 Ų70.577%0.76638%0.378SS*.THydrogen-bonded Turntrans-58.6-31.3-172.4-171.162.825.900113.7H566Q564-H566 VanDerWaalsContact C-N 3.28Å; Q564-H566 PolarHBondContact O-N 3.12Å
565E88.9Confident92.3Very high163 Ų16369 Ų6976%0.76238%0.376SS*.THydrogen-bonded Turntrans-71.7-18.5175.568.1-160.7162.600114.2P563P563-E565 HydrophobicContact CB-CG 4.25Å; P563-E565 PolarHBondContact O-N 3.21Å; P563-E565 VanDerWaalsContact O-N 3.11Å
566H88Confident92.3Very high70 Ų7069 Ų6932%0.32438%0.375SS..THydrogen-bonded Turntrans-111.7-2.9-178.7-69-41.2000113P563 Q564 L568 W607 P608P563-H566 CarbonylContact O-C 3.55Å; P563-H566 WeakPolarHBondContact O-CA 3.28Å; P563-H566 PolarHBondContact O-N 3.24Å; Q564-H566 VanDerWaalsContact C-N 3.28Å; Q564-H566 PolarHBondContact O-N 3.12Å; H566-L568 PolarHBondContact O-N 3.34Å; H566-W607 PolarHBondContact O-NE1 2.88Å; H566-P608 WeakPolarHBondContact CD2-CG 3.47Å
567K93.1Very high92.2Very high92 Ų9268.3 Ų68.340%0.437%0.374SS..PPolyproline II helixtrans-71.5122.1-176.4-164154.3-172.21560111.7N559 E560 P563N559-K567 WeakPolarHBondContact O-CE 3.44Å; E560-K567 PolarHBondContact O-NZ 3.49Å; P563-K567 PolarHBondContact O-N 3.47Å
568L93.3Very high92Very high23 Ų2368.4 Ų68.412%0.1237%0.374CS..PPolyproline II helixtrans-76.8140.2178.5-49.9178.9000110.3L555 N559 H566 T572 M573 L576 V604 W607L555-L568 HydrophobicContact CD1-CD1 4.17Å; N559-L568 PolarHBondContact ND2-O 3.24Å; N559-L568 WeakPolarHBondContact OD1-CB 3.46Å; N559-L568 WeakPolarHBondContact OD1-CG 3.38Å; N559-L568 PolarHBondContact OD1-N 3.38Å; H566-L568 PolarHBondContact O-N 3.34Å; L568-T572 HydrophobicContact CB-CG2 3.94Å; L568-T572 HydrophobicContact CD1-CG2 4.38Å; L568-T572 HydrophobicContact CD2-CG2 4.12Å; L568-T572 HydrophobicContact CG-CG2 4.37Å; L568-M573 HydrophobicContact CB-CG 4.18Å; L568-L576 HydrophobicContact CD1-CD1 4.47Å; L568-V604 HydrophobicContact CD1-CG1 3.7Å; L568-V604 HydrophobicContact CD2-CG1 3.86Å; L568-V604 HydrophobicContact CD2-CG2 3.86Å; L568-V604 HydrophobicContact CG-CG1 4.44Å; L568-W607 HydrophobicContact CD1-CH2 4.18Å; L568-W607 HydrophobicContact CD1-CZ2 3.99Å; L568-W607 HydrophobicContact CG-CZ2 3.97Å
569S93.7Very high91.9Very high57 Ų5767.2 Ų67.240%0.39937%0.368SS..PPolyproline II helixtrans-71.9160.1173.2650000112.3D571 T572 M573S569-D571 VanDerWaalsContact C-N 3.27Å; S569-D571 PolarHBondContact O-N 3.26Å; S569-T572 WeakPolarHBondContact O-CA 3.45Å; S569-T572 VanDerWaalsContact O-CB 3.32Å; S569-T572 WeakPolarHBondContact O-CB 3.42Å; S569-T572 PolarHBondContact O-N 2.88Å; S569-T572 WeakPolarHBondContact OG-CB 3.18Å; S569-T572 PolarHBondContact OG-N 2.75Å; S569-T572 PolarHBondContact OG-OG1 2.96Å; S569-M573 PolarHBondContact O-N 3.03Å
570D91.3Very high91.7Very high130 Ų13067 Ų6770%0.69537%0.367SS*.Hα-helixtrans-58.8-39.2174.7-64.7-35000111.8T572 M573 G574D570-T572 VanDerWaalsContact C-N 3.31Å; D570-T572 PolarHBondContact O-N 3.26Å; D570-M573 PolarHBondContact O-N 2.92Å; D570-M573 WeakPolarHBondContact OD1-CE 3.09Å; D570-G574 PolarHBondContact O-N 2.71Å
571D91.6Very high91.5Very high139 Ų13962.3 Ų62.374%0.74335%0.346SS*.Hα-helixtrans-60.1-39.6172.8-57.1-44.5000112.2S569 S575S569-D571 VanDerWaalsContact C-N 3.27Å; S569-D571 PolarHBondContact O-N 3.26Å; D571-S575 VanDerWaalsContact O-CB 3.23Å; D571-S575 WeakPolarHBondContact O-CB 3.46Å; D571-S575 PolarHBondContact O-N 2.99Å
572T92.6Very high91.4Very high24 Ų2460.9 Ų60.915%0.14732%0.324CS..Hα-helixtrans-66-46.7177.5-64.40000110.7L568 S569 D570 S575 L576 L600 V604L568-T572 HydrophobicContact CB-CG2 3.94Å; L568-T572 HydrophobicContact CD1-CG2 4.38Å; L568-T572 HydrophobicContact CD2-CG2 4.12Å; L568-T572 HydrophobicContact CG-CG2 4.37Å; S569-T572 WeakPolarHBondContact O-CA 3.45Å; S569-T572 VanDerWaalsContact O-CB 3.32Å; S569-T572 WeakPolarHBondContact O-CB 3.42Å; S569-T572 PolarHBondContact O-N 2.88Å; S569-T572 WeakPolarHBondContact OG-CB 3.18Å; S569-T572 PolarHBondContact OG-N 2.75Å; S569-T572 PolarHBondContact OG-OG1 2.96Å; D570-T572 VanDerWaalsContact C-N 3.31Å; D570-T572 PolarHBondContact O-N 3.26Å; T572-S575 PolarHBondContact O-N 3.26Å; T572-L576 HydrophobicContact CG2-CD1 4.29Å; T572-L576 WeakPolarHBondContact O-CG 3.39Å; T572-L576 PolarHBondContact O-N 3.13Å; T572-L576 VanDerWaalsContact O-N 3.07Å; T572-L600 HydrophobicContact CG2-CD1 3.86Å; T572-L600 HydrophobicContact CG2-CD2 4.12Å; T572-L600 HydrophobicContact CG2-CG 4.19Å; T572-V604 HydrophobicContact CG2-CG2 4.13Å
573M93.1Very high91.2Very high21 Ų2161.2 Ų61.210%0.10332%0.324CS..Hα-helixtrans-63.8-43.8177.5-69.3-171.2-72.600111.8K556 N559 L568 S569 D570 S575 L576 E577K556-M573 HydrophobicContact CG-SD 4.05Å; N559-M573 HydrophobicContact CB-SD 4.04Å; N559-M573 WeakPolarHBondContact ND2-CE 3.43Å; N559-M573 PolarHBondContact ND2-SD 3.5Å; L568-M573 HydrophobicContact CB-CG 4.18Å; S569-M573 PolarHBondContact O-N 3.03Å; D570-M573 PolarHBondContact O-N 2.92Å; D570-M573 WeakPolarHBondContact OD1-CE 3.09Å; M573-S575 PolarHBondContact O-N 2.94Å; M573-L576 PolarHBondContact O-N 2.79Å; M573-E577 WeakPolarHBondContact O-CB 3.4Å; M573-E577 PolarHBondContact O-N 2.83Å
574G92.4Very high91Very high30 Ų3060.3 Ų60.331%0.30932%0.319SS..Hα-helixtrans-61.9-40.817600000112.7D570 E577 Q578D570-G574 PolarHBondContact O-N 2.71Å; G574-E577 PolarHBondContact O-N 2.88Å; G574-Q578 WeakPolarHBondContact O-CG 3.39Å; G574-Q578 PolarHBondContact O-N 2.8Å
575S93.3Very high90.3Very high33 Ų3355.6 Ų55.623%0.23132%0.315CS..Hα-helixtrans-64-40.8176.5-173.20000112.7D571 T572 M573 L579 Q597 L600D571-S575 VanDerWaalsContact O-CB 3.23Å; D571-S575 WeakPolarHBondContact O-CB 3.46Å; D571-S575 PolarHBondContact O-N 2.99Å; T572-S575 PolarHBondContact O-N 3.26Å; M573-S575 PolarHBondContact O-N 2.94Å; S575-L579 WeakPolarHBondContact O-CB 3.39Å; S575-L579 PolarHBondContact O-N 3.04Å; S575-Q597 WeakPolarHBondContact OG-CG 3.44Å; S575-L600 WeakPolarHBondContact OG-CD2 3.35Å
576L93.6Very high88.7Confident0 Ų050.3 Ų50.30%030%0.298CS..Hα-helixtrans-68.6-36.6173.2-69.4172.9000112.6L555 L568 T572 M573 L579 L580 L601 V604 I618L555-L576 HydrophobicContact CD2-CB 4.34Å; L555-L576 HydrophobicContact CD2-CD1 4.09Å; L568-L576 HydrophobicContact CD1-CD1 4.47Å; T572-L576 HydrophobicContact CG2-CD1 4.29Å; T572-L576 WeakPolarHBondContact O-CG 3.39Å; T572-L576 PolarHBondContact O-N 3.13Å; T572-L576 VanDerWaalsContact O-N 3.07Å; M573-L576 PolarHBondContact O-N 2.79Å; L576-L579 PolarHBondContact O-N 2.96Å; L576-L580 WeakPolarHBondContact O-CB 3.27Å; L576-L580 PolarHBondContact O-N 3.45Å; L576-L601 HydrophobicContact CD2-CB 4.15Å; L576-L601 HydrophobicContact CD2-CD1 4.08Å; L576-V604 HydrophobicContact CD1-CG1 4.15Å; L576-I618 HydrophobicContact CB-CD1 4.25Å
577E93.4Very high86.8Confident60 Ų6052.8 Ų52.828%0.2831%0.314SS..Hα-helixtrans-64.8-45.4175.3-177.6162.3-173.100111.6I552 K556 M573 G574 L580 L581I552-E577 HydrophobicContact CD1-CB 3.9Å; I552-E577 HydrophobicContact CD1-CG 4.14Å; I552-E577 HydrophobicContact CG1-CB 4.42Å; I552-E577 HydrophobicContact CG1-CG 4.1Å; I552-E577 HydrophobicContact CG2-CG 4.26Å; K556-E577 WeakPolarHBondContact CE-OE2 3.05Å; K556-E577 IonicContact NZ-OE1 3.95Å; K556-E577 IonicContact NZ-OE2 3.08Å; K556-E577 PolarHBondContact NZ-OE2 3.42Å; M573-E577 WeakPolarHBondContact O-CB 3.4Å; M573-E577 PolarHBondContact O-N 2.83Å; G574-E577 PolarHBondContact O-N 2.88Å; E577-L580 PolarHBondContact O-N 2.88Å; E577-L581 HydrophobicContact CG-CD1 4.43Å; E577-L581 WeakPolarHBondContact O-CG 3.48Å; E577-L581 PolarHBondContact O-N 3.36Å
578Q90.8Very high84.8Confident110 Ų11054.5 Ų54.551%0.51434%0.338SS..Hα-helixtrans-61.3-44.6172.6-68.6-58-4400112.1G574 L580 L581 V582G574-Q578 WeakPolarHBondContact O-CG 3.39Å; G574-Q578 PolarHBondContact O-N 2.8Å; Q578-L580 VanDerWaalsContact C-N 3.34Å; Q578-L580 PolarHBondContact O-N 3.2Å; Q578-L581 PolarHBondContact O-N 3.21Å; Q578-V582 WeakPolarHBondContact O-CG2 3.46Å; Q578-V582 PolarHBondContact O-N 2.75Å; Q578-V582 VanDerWaalsContact O-N 3.07Å
579L92.3Very high82.8Confident1 Ų157.2 Ų57.21%0.00536%0.357CS..Hα-helixtrans-58.9-45.3177.2179.260.2000111.6S575 L576 V582 V583 P593 Q597 L601S575-L579 WeakPolarHBondContact O-CB 3.39Å; S575-L579 PolarHBondContact O-N 3.04Å; L576-L579 PolarHBondContact O-N 2.96Å; L579-V582 PolarHBondContact O-N 2.62Å; L579-V583 HydrophobicContact CD1-CG1 4.16Å; L579-V583 WeakPolarHBondContact O-CG1 3.31Å; L579-V583 WeakPolarHBondContact O-CG2 3.38Å; L579-V583 PolarHBondContact O-N 3Å; L579-V583 VanDerWaalsContact O-N 3.1Å; L579-P593 HydrophobicContact CD1-CB 3.61Å; L579-P593 HydrophobicContact CD1-CG 3.79Å; L579-Q597 HydrophobicContact CD1-CB 4.45Å; L579-Q597 HydrophobicContact CD2-CB 4.35Å; L579-L601 HydrophobicContact CD2-CB 3.93Å; L579-L601 HydrophobicContact CD2-CD2 3.71Å; L579-L601 HydrophobicContact CD2-CG 4.31Å
580L91.9Very high81Confident1 Ų164.1 Ų64.11%0.00538%0.383CS..Hα-helixtrans-63.1-41.5178.5-178.260.9000112.2A548 I551 I552 L576 E577 Q578 V583 C584 I618 L621A548-L580 HydrophobicContact CB-CD2 3.75Å; A548-L580 HydrophobicContact CB-CG 3.95Å; I551-L580 HydrophobicContact CB-CD2 3.93Å; I551-L580 HydrophobicContact CD1-CD1 4.45Å; I551-L580 HydrophobicContact CD1-CD2 4.33Å; I551-L580 HydrophobicContact CG2-CD2 3.8Å; I552-L580 HydrophobicContact CD1-CD2 3.72Å; I552-L580 HydrophobicContact CG1-CD2 3.8Å; L576-L580 WeakPolarHBondContact O-CB 3.27Å; L576-L580 PolarHBondContact O-N 3.45Å; E577-L580 PolarHBondContact O-N 2.88Å; Q578-L580 VanDerWaalsContact C-N 3.34Å; Q578-L580 PolarHBondContact O-N 3.2Å; L580-V583 HydrophobicContact CD1-CG2 4.43Å; L580-V583 PolarHBondContact O-N 3.08Å; L580-C584 VanDerWaalsContact O-CB 3.25Å; L580-C584 WeakPolarHBondContact O-CB 3.39Å; L580-C584 PolarHBondContact O-N 3.25Å; L580-C584 PolarHBondContact O-SG 3.21Å; L580-I618 HydrophobicContact CB-CG1 4.4Å; L580-I618 HydrophobicContact CB-CG2 4.39Å; L580-I618 HydrophobicContact CD1-CG1 4.15Å; L580-I618 HydrophobicContact CD1-CG2 4.43Å; L580-I618 HydrophobicContact CD2-CG1 4.15Å; L580-I618 HydrophobicContact CG-CG1 4.46Å; L580-L621 HydrophobicContact CD1-CD1 3.67Å
581L89.3Confident80.1Confident46 Ų4662.4 Ų62.424%0.24138%0.377CS..Hα-helixtrans-63.8-41.6178.5-71.3170.3000112.1E577 Q578 G585 A586E577-L581 HydrophobicContact CG-CD1 4.43Å; E577-L581 WeakPolarHBondContact O-CG 3.48Å; E577-L581 PolarHBondContact O-N 3.36Å; Q578-L581 PolarHBondContact O-N 3.21Å; L581-G585 PolarHBondContact O-N 2.63Å; L581-A586 HydrophobicContact CD2-CB 3.9Å; L581-A586 PolarHBondContact O-N 3.42Å; L581-A586 VanDerWaalsContact O-N 3.09Å
582V88.3Confident79.7Confident39 Ų3959 Ų5924%0.23636%0.363CS..Hα-helixtrans-61.2-50.7175.41700000111Q578 L579 C584 G585 P593Q578-V582 WeakPolarHBondContact O-CG2 3.46Å; Q578-V582 PolarHBondContact O-N 2.75Å; Q578-V582 VanDerWaalsContact O-N 3.07Å; L579-V582 PolarHBondContact O-N 2.62Å; V582-C584 VanDerWaalsContact C-N 3.3Å; V582-C584 PolarHBondContact O-N 3.44Å; V582-G585 PolarHBondContact O-N 3.24Å; V582-G585 VanDerWaalsContact O-N 3.13Å; V582-P593 HydrophobicContact CG1-CG 4.12Å
583V87.6Confident79.6Confident17 Ų1758 Ų5810%0.10336%0.356CS..Hα-helixtrans-76.9-15-175-54.10000113.9L579 L580 P593 L621 A622 H625L579-V583 HydrophobicContact CD1-CG1 4.16Å; L579-V583 WeakPolarHBondContact O-CG1 3.31Å; L579-V583 WeakPolarHBondContact O-CG2 3.38Å; L579-V583 PolarHBondContact O-N 3Å; L579-V583 VanDerWaalsContact O-N 3.1Å; L580-V583 HydrophobicContact CD1-CG2 4.43Å; L580-V583 PolarHBondContact O-N 3.08Å; V583-P593 HydrophobicContact CG1-CG 4.19Å; V583-L621 HydrophobicContact CG2-CB 4.03Å; V583-A622 HydrophobicContact CG1-CB 4.23Å; V583-A622 HydrophobicContact CG2-CB 4.37Å; V583-H625 HydrophobicContact CG1-CB 4.27Å
584C84.8Confident79.5Confident47 Ų4760.1 Ų60.132%0.31837%0.371SS..THydrogen-bonded Turntrans-90.2-5.7169.5-71.70000113.7L580 V582 A586L580-C584 VanDerWaalsContact O-CB 3.25Å; L580-C584 WeakPolarHBondContact O-CB 3.39Å; L580-C584 PolarHBondContact O-N 3.25Å; L580-C584 PolarHBondContact O-SG 3.21Å; V582-C584 VanDerWaalsContact C-N 3.3Å; V582-C584 PolarHBondContact O-N 3.44Å; C584-A586 HydrophobicContact CB-CB 4.42Å; C584-A586 PolarHBondContact O-N 3.48Å
585G73.1Confident79.4Confident65 Ų6564.1 Ų64.167%0.6738%0.384SS*.THydrogen-bonded Turntrans64.623.5-177.300000114.4L581 V582 N587L581-G585 PolarHBondContact O-N 2.63Å; V582-G585 PolarHBondContact O-N 3.24Å; V582-G585 VanDerWaalsContact O-N 3.13Å; G585-N587 PolarHBondContact O-N 3.47Å
586A56.4Low79.3Confident51 Ų5170.3 Ų70.342%0.42141%0.409SS..  trans-81.2-14.6-165.500000114.9L581 C584L581-A586 HydrophobicContact CD2-CB 3.9Å; L581-A586 PolarHBondContact O-N 3.42Å; L581-A586 VanDerWaalsContact O-N 3.09Å; C584-A586 HydrophobicContact CB-CB 4.42Å; C584-A586 PolarHBondContact O-N 3.48Å
587N48.3Very low79.3Confident123 Ų12371.7 Ų71.766%0.65842%0.416SS*.SBendtrans-158.4133167.5-81.8-55.8000107.9G585 P589G585-N587 PolarHBondContact O-N 3.47Å; N587-P589 WeakPolarHBondContact O-CD 3.42Å
588S51.1Low79.4Confident128 Ų12868.9 Ų68.990%0.89540%0.402SS*.  trans-70.9120.3175.6-40.30000110.7
589P49.9Very low79.6Confident79 Ų7966.8 Ų66.851%0.51340%0.4SS..  -129.4155.1121.235.9-29000111.8N587 T591N587-P589 WeakPolarHBondContact O-CD 3.42Å; P589-T591 PolarHBondContact O-N 2.68Å
590E56.2Low79.7Confident202 Ų20268.5 Ų68.594%0.94441%0.409SS*.SBendtrans-71.610.2-170-58174.3137.700115
591T72.6Confident80Confident94 Ų9468.4 Ų68.458%0.57741%0.408SS*.PPolyproline II helixtrans-92.7116.6-175.350.20000111.7P589P589-T591 PolarHBondContact O-N 2.68Å
592P83Confident80.3Confident69 Ų6968.7 Ų68.745%0.44841%0.406SS..PPolyproline II helixtrans-74.4162.9178.633.5-37.2000112T594P592-T594 PolarHBondContact O-N 2.96Å
593P89.8Confident80.7Confident1 Ų174.6 Ų74.61%0.00643%0.429CS..PPolyproline II helixtrans-51122.3177.5-30.839.3000113.6L579 V582 V583 I598 H625 Q627 V628L579-P593 HydrophobicContact CD1-CB 3.61Å; L579-P593 HydrophobicContact CD1-CG 3.79Å; V582-P593 HydrophobicContact CG1-CG 4.12Å; V583-P593 HydrophobicContact CG1-CG 4.19Å; P593-I598 HydrophobicContact CB-CD1 4.34Å; P593-I598 HydrophobicContact CB-CG1 4.34Å; P593-H625 WeakPolarHBondContact CD-CE1 3.39Å; P593-Q627 PolarHBondContact O-NE2 3.33Å; P593-Q627 VanDerWaalsContact O-NE2 3.09Å; P593-Q627 PolarHBondContact O-OE1 3.3Å; P593-V628 HydrophobicContact CB-CG2 3.9Å; P593-V628 HydrophobicContact CG-CG2 3.99Å
594T91.6Very high81Confident67 Ų6774.2 Ų74.241%0.41143%0.426SS..PPolyproline II helixtrans-72153178.763.30000111.8P592 Q596 Q597 I598P592-T594 PolarHBondContact O-N 2.96Å; T594-Q596 PolarHBondContact O-N 3.39Å; T594-Q597 WeakPolarHBondContact O-CB 3.36Å; T594-Q597 PolarHBondContact O-N 2.68Å; T594-Q597 WeakPolarHBondContact OG1-CB 3.48Å; T594-Q597 VanDerWaalsContact OG1-CG 3.32Å; T594-Q597 WeakPolarHBondContact OG1-CG 3.4Å; T594-Q597 PolarHBondContact OG1-N 2.91Å; T594-Q597 PolarHBondContact OG1-OE1 3.04Å; T594-I598 WeakPolarHBondContact O-CG1 3.49Å; T594-I598 PolarHBondContact O-N 3.49Å
595I90.6Very high81.6Confident113 Ų11372 Ų7258%0.57941%0.411SS*.Hα-helixtrans-55.7-38.4174.9-62171.6000110.6Q597 I598 S599I595-Q597 PolarHBondContact O-N 3.33Å; I595-I598 PolarHBondContact O-N 3.36Å; I595-I598 VanDerWaalsContact O-N 3.17Å; I595-S599 PolarHBondContact O-N 2.94Å; I595-S599 PolarHBondContact O-OG 2.86Å; I595-S599 VanDerWaalsContact O-OG 3.09Å
596Q91.7Very high82.7Confident164 Ų16473.3 Ų73.377%0.76640%0.4SS*.Hα-helixtrans-62.4-42.4176.9-67.6178.7-10.100112.6T594 I598 L600T594-Q596 PolarHBondContact O-N 3.39Å; Q596-I598 VanDerWaalsContact C-N 3.32Å; Q596-I598 PolarHBondContact O-N 2.89Å; Q596-L600 VanDerWaalsContact O-CB 3.23Å; Q596-L600 WeakPolarHBondContact O-CB 3.32Å; Q596-L600 PolarHBondContact O-N 3.48Å
597Q93.9Very high84.5Confident29 Ų2971.7 Ų71.714%0.13638%0.383CS..Hα-helixtrans-63.2-38173.2-77.6166.2-57.600112.1S575 L579 T594 I595 L600 L601S575-Q597 WeakPolarHBondContact OG-CG 3.44Å; L579-Q597 HydrophobicContact CD1-CB 4.45Å; L579-Q597 HydrophobicContact CD2-CB 4.35Å; T594-Q597 WeakPolarHBondContact O-CB 3.36Å; T594-Q597 PolarHBondContact O-N 2.68Å; T594-Q597 WeakPolarHBondContact OG1-CB 3.48Å; T594-Q597 VanDerWaalsContact OG1-CG 3.32Å; T594-Q597 WeakPolarHBondContact OG1-CG 3.4Å; T594-Q597 PolarHBondContact OG1-N 2.91Å; T594-Q597 PolarHBondContact OG1-OE1 3.04Å; I595-Q597 PolarHBondContact O-N 3.33Å; Q597-L600 PolarHBondContact O-N 3.2Å; Q597-L601 WeakPolarHBondContact O-CB 3.37Å; Q597-L601 PolarHBondContact O-N 2.9Å
598I94.8Very high86.7Confident1 Ų167.5 Ų67.51%0.00536%0.362CS..Hα-helixtrans-68.6-47.7178.6-63.8165.4000110.9P593 T594 I595 Q596 L600 L601 W602 Q627 V628 L632P593-I598 HydrophobicContact CB-CD1 4.34Å; P593-I598 HydrophobicContact CB-CG1 4.34Å; T594-I598 WeakPolarHBondContact O-CG1 3.49Å; T594-I598 PolarHBondContact O-N 3.49Å; I595-I598 PolarHBondContact O-N 3.36Å; I595-I598 VanDerWaalsContact O-N 3.17Å; Q596-I598 VanDerWaalsContact C-N 3.32Å; Q596-I598 PolarHBondContact O-N 2.89Å; I598-L600 VanDerWaalsContact C-N 3.28Å; I598-L600 PolarHBondContact O-N 3.26Å; I598-L601 PolarHBondContact O-N 3.38Å; I598-W602 WeakPolarHBondContact O-CB 3.47Å; I598-W602 PolarHBondContact O-N 3.2Å; I598-Q627 HydrophobicContact CD1-CG 4.28Å; I598-V628 HydrophobicContact CD1-CB 4.49Å; I598-V628 HydrophobicContact CD1-CG2 4.03Å; I598-V628 HydrophobicContact CG1-CG2 4.05Å; I598-L632 HydrophobicContact CG2-CD1 4.09Å; I598-L632 HydrophobicContact CG2-CD2 3.55Å; I598-L632 HydrophobicContact CG2-CG 3.61Å
599S94.1Very high88.7Confident65 Ų6564.3 Ų64.346%0.45533%0.333SS..Hα-helixtrans-61.9-35.4175-55.80000112.3I595 K603I595-S599 PolarHBondContact O-N 2.94Å; I595-S599 PolarHBondContact O-OG 2.86Å; I595-S599 VanDerWaalsContact O-OG 3.09Å; S599-K603 WeakPolarHBondContact O-CB 3.26Å; S599-K603 PolarHBondContact O-N 3.37Å
600L95.6Very high90.8Very high37 Ų3764.4 Ų64.419%0.19433%0.329CS..Hα-helixtrans-66.9-47.9175-174.765.6000111.5T572 S575 Q596 Q597 I598 W602 K603 V604T572-L600 HydrophobicContact CG2-CD1 3.86Å; T572-L600 HydrophobicContact CG2-CD2 4.12Å; T572-L600 HydrophobicContact CG2-CG 4.19Å; S575-L600 WeakPolarHBondContact OG-CD2 3.35Å; Q596-L600 VanDerWaalsContact O-CB 3.23Å; Q596-L600 WeakPolarHBondContact O-CB 3.32Å; Q596-L600 PolarHBondContact O-N 3.48Å; Q597-L600 PolarHBondContact O-N 3.2Å; I598-L600 VanDerWaalsContact C-N 3.28Å; I598-L600 PolarHBondContact O-N 3.26Å; L600-W602 VanDerWaalsContact C-N 3.31Å; L600-W602 PolarHBondContact O-N 2.98Å; L600-K603 PolarHBondContact O-N 2.92Å; L600-V604 HydrophobicContact CD1-CG2 4.24Å; L600-V604 HydrophobicContact CG-CG2 4.49Å; L600-V604 WeakPolarHBondContact O-CB 3.18Å; L600-V604 VanDerWaalsContact O-CG2 3.28Å; L600-V604 WeakPolarHBondContact O-CG2 3.25Å; L600-V604 PolarHBondContact O-N 2.98Å
601L97Very high92.6Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-58.2-43174.8174.664000111.6L576 L579 Q597 I598 V604 S605 V615 I618 L619 A622L576-L601 HydrophobicContact CD2-CB 4.15Å; L576-L601 HydrophobicContact CD2-CD1 4.08Å; L579-L601 HydrophobicContact CD2-CB 3.93Å; L579-L601 HydrophobicContact CD2-CD2 3.71Å; L579-L601 HydrophobicContact CD2-CG 4.31Å; Q597-L601 WeakPolarHBondContact O-CB 3.37Å; Q597-L601 PolarHBondContact O-N 2.9Å; I598-L601 PolarHBondContact O-N 3.38Å; L601-V604 PolarHBondContact O-N 3.4Å; L601-S605 WeakPolarHBondContact O-CB 3.26Å; L601-S605 PolarHBondContact O-N 3.2Å; L601-V615 HydrophobicContact CD1-CG1 3.96Å; L601-I618 HydrophobicContact CD1-CB 4.16Å; L601-I618 HydrophobicContact CD1-CG2 3.85Å; L601-I618 HydrophobicContact CD2-CG2 4.49Å; L601-L619 HydrophobicContact CD1-CB 4.3Å; L601-L619 HydrophobicContact CD2-CD1 3.94Å; L601-L619 HydrophobicContact CG-CD1 4.18Å; L601-A622 HydrophobicContact CD2-CB 3.68Å
602W96.7Very high93.7Very high52 Ų5251 Ų5120%0.19726%0.261CS..Hα-helixtrans-61.6-48175175.9-119.2000112.4I598 L600 V604 S605 H606 L632 Q640 L641 H644I598-W602 WeakPolarHBondContact O-CB 3.47Å; I598-W602 PolarHBondContact O-N 3.2Å; L600-W602 VanDerWaalsContact C-N 3.31Å; L600-W602 PolarHBondContact O-N 2.98Å; W602-V604 PolarHBondContact O-N 3.43Å; W602-S605 PolarHBondContact O-N 3.17Å; W602-S605 PolarHBondContact O-OG 2.95Å; W602-H606 AromaticContact CD2-CE1 3.89Å; W602-H606 AromaticContact CE2-CE1 3.61Å; W602-H606 AromaticContact CE3-CE1 3.98Å; W602-H606 AromaticContact CH2-CE1 3.52Å; W602-H606 AromaticContact CH2-NE2 3.93Å; W602-H606 AromaticContact CZ2-CE1 3.45Å; W602-H606 VanDerWaalsContact CZ2-CE1 3.45Å; W602-H606 WeakPolarHBondContact CZ2-CE1 3.27Å; W602-H606 AromaticContact CZ2-NE2 3.89Å; W602-H606 AromaticContact CZ3-CE1 3.78Å; W602-H606 PolarHBondContact O-ND1 2.93Å; W602-L632 HydrophobicContact CB-CD2 4.09Å; W602-L632 HydrophobicContact CG-CD2 4.45Å; W602-Q640 HydrophobicContact CH2-CB 4.21Å; W602-Q640 HydrophobicContact CZ2-CB 3.87Å; W602-L641 HydrophobicContact CE3-CD1 4.32Å; W602-L641 HydrophobicContact CH2-CB 4.38Å; W602-L641 HydrophobicContact CZ3-CB 4.14Å; W602-L641 HydrophobicContact CZ3-CD1 3.73Å; W602-H644 HydrophobicContact CH2-CB 3.92Å; W602-H644 HydrophobicContact CZ3-CB 4.31Å; W602-H644 AromaticContact CZ3-CD2 3.99Å
603K95.1Very high94.3Very high162 Ų16250.5 Ų50.570%0.70425%0.252SS*.Hα-helixtrans-59.8-46.8177-177-176.4177.3-1750111.7S599 L600 S605 H606S599-K603 WeakPolarHBondContact O-CB 3.26Å; S599-K603 PolarHBondContact O-N 3.37Å; L600-K603 PolarHBondContact O-N 2.92Å; K603-S605 VanDerWaalsContact C-N 3.29Å; K603-S605 PolarHBondContact O-N 3.39Å; K603-H606 PolarHBondContact O-N 3.49Å
604V95.1Very high94.7Very high9 Ų950.6 Ų50.66%0.05525%0.252CS..Hα-helixtrans-75.3-18.5-176.1-177.80000111.8L568 T572 L576 L600 L601 W602 H606 W607 V615L568-V604 HydrophobicContact CD1-CG1 3.7Å; L568-V604 HydrophobicContact CD2-CG1 3.86Å; L568-V604 HydrophobicContact CD2-CG2 3.86Å; L568-V604 HydrophobicContact CG-CG1 4.44Å; T572-V604 HydrophobicContact CG2-CG2 4.13Å; L576-V604 HydrophobicContact CD1-CG1 4.15Å; L600-V604 HydrophobicContact CD1-CG2 4.24Å; L600-V604 HydrophobicContact CG-CG2 4.49Å; L600-V604 WeakPolarHBondContact O-CB 3.18Å; L600-V604 VanDerWaalsContact O-CG2 3.28Å; L600-V604 WeakPolarHBondContact O-CG2 3.25Å; L600-V604 PolarHBondContact O-N 2.98Å; L601-V604 PolarHBondContact O-N 3.4Å; W602-V604 PolarHBondContact O-N 3.43Å; V604-H606 PolarHBondContact O-N 3.44Å; V604-H606 VanDerWaalsContact O-N 3.14Å; V604-W607 WeakPolarHBondContact O-CB 3.31Å; V604-W607 PolarHBondContact O-N 3.27Å; V604-W607 VanDerWaalsContact O-N 3.14Å; V604-V615 HydrophobicContact CB-CG1 4.18Å; V604-V615 HydrophobicContact CG1-CB 4.47Å; V604-V615 HydrophobicContact CG1-CG1 3.89Å; V604-V615 HydrophobicContact CG1-CG2 3.75Å
605S96.6Very high94.9Very high0 Ų047.4 Ų47.40%023%0.233CC..THydrogen-bonded Turntrans-67.6-817282.60000113.7L601 W602 K603 V612 H644L601-S605 WeakPolarHBondContact O-CB 3.26Å; L601-S605 PolarHBondContact O-N 3.2Å; W602-S605 PolarHBondContact O-N 3.17Å; W602-S605 PolarHBondContact O-OG 2.95Å; K603-S605 VanDerWaalsContact C-N 3.29Å; K603-S605 PolarHBondContact O-N 3.39Å; S605-V612 WeakPolarHBondContact O-CG2 3.39Å; S605-H644 PolarHBondContact O-CE1 3.22Å; S605-H644 PolarHBondContact O-NE2 2.9Å
606H95.8Very high95.3Very high94 Ų9442 Ų4244%0.43521%0.205SC..THydrogen-bonded Turntrans-97.420.2173.1-62.573.1000112.8W602 K603 V604 H644W602-H606 AromaticContact CD2-CE1 3.89Å; W602-H606 AromaticContact CE2-CE1 3.61Å; W602-H606 AromaticContact CE3-CE1 3.98Å; W602-H606 AromaticContact CH2-CE1 3.52Å; W602-H606 AromaticContact CH2-NE2 3.93Å; W602-H606 AromaticContact CZ2-CE1 3.45Å; W602-H606 VanDerWaalsContact CZ2-CE1 3.45Å; W602-H606 WeakPolarHBondContact CZ2-CE1 3.27Å; W602-H606 AromaticContact CZ2-NE2 3.89Å; W602-H606 AromaticContact CZ3-CE1 3.78Å; W602-H606 PolarHBondContact O-ND1 2.93Å; K603-H606 PolarHBondContact O-N 3.49Å; V604-H606 PolarHBondContact O-N 3.44Å; V604-H606 VanDerWaalsContact O-N 3.14Å; H606-H644 AromaticContact CD2-CE1 3.82Å; H606-H644 AromaticContact CD2-ND1 3.97Å; H606-H644 AromaticContact CE1-CD2 3.78Å; H606-H644 AromaticContact CE1-NE2 3.99Å; H606-H644 AromaticContact NE2-CD2 3.85Å; H606-H644 AromaticContact NE2-CG 3.74Å; H606-H644 AromaticContact NE2-ND1 3.9Å
607W94.5Very high95.5Very high17 Ų1735.9 Ų35.96%0.06418%0.177CC..SBendtrans-58.7157.4169.8-129.812.4000111.1L555 L558 N559 A562 H566 L568 V604 E609 I611 V612 V615L555-W607 HydrophobicContact CD1-CH2 4.15Å; L555-W607 HydrophobicContact CD1-CZ3 3.79Å; L558-W607 HydrophobicContact CB-CH2 4.23Å; L558-W607 HydrophobicContact CB-CZ3 4.26Å; N559-W607 HydrophobicContact CB-CH2 3.86Å; N559-W607 HydrophobicContact CB-CZ2 4.11Å; A562-W607 HydrophobicContact CB-CZ2 3.99Å; H566-W607 PolarHBondContact O-NE1 2.88Å; L568-W607 HydrophobicContact CD1-CH2 4.18Å; L568-W607 HydrophobicContact CD1-CZ2 3.99Å; L568-W607 HydrophobicContact CG-CZ2 3.97Å; V604-W607 WeakPolarHBondContact O-CB 3.31Å; V604-W607 PolarHBondContact O-N 3.27Å; V604-W607 VanDerWaalsContact O-N 3.14Å; W607-E609 PolarHBondContact O-N 3.35Å; W607-I611 HydrophobicContact CD2-CD1 3.66Å; W607-I611 HydrophobicContact CD2-CG1 3.73Å; W607-I611 HydrophobicContact CE3-CB 4.19Å; W607-I611 HydrophobicContact CE3-CD1 4.1Å; W607-I611 HydrophobicContact CE3-CG1 3.85Å; W607-I611 HydrophobicContact CG-CD1 4.07Å; W607-I611 HydrophobicContact CG-CG1 4.04Å; W607-I611 HydrophobicContact CH2-CD1 4.27Å; W607-I611 HydrophobicContact CZ2-CD1 3.87Å; W607-I611 HydrophobicContact CZ3-CB 4.31Å; W607-I611 HydrophobicContact CZ3-CD1 4.38Å; W607-I611 HydrophobicContact CZ3-CG1 4.34Å; W607-V612 HydrophobicContact CB-CB 3.84Å; W607-V612 HydrophobicContact CB-CG2 3.75Å; W607-V612 WeakPolarHBondContact O-CB 3.27Å; W607-V615 HydrophobicContact CE3-CG2 3.88Å; W607-V615 HydrophobicContact CZ3-CG2 4.32Å
608P94.7Very high95.7Very high34 Ų3434.5 Ų34.522%0.22117%0.171CC..  trans-50.4139174.8-28.536000112.8H566 D610 I611 V612H566-P608 WeakPolarHBondContact CD2-CG 3.47Å; P608-D610 WeakPolarHBondContact CB-OD1 3.39Å; P608-D610 PolarHBondContact O-N 3.02Å; P608-I611 HydrophobicContact CB-CG1 4.14Å; P608-I611 HydrophobicContact CG-CD1 4.36Å; P608-I611 HydrophobicContact CG-CG1 4.44Å; P608-I611 PolarHBondContact O-N 2.94Å; P608-V612 WeakPolarHBondContact O-CB 3.43Å; P608-V612 PolarHBondContact O-N 3.41Å
609E93.6Very high95.8Very high62 Ų6234.4 Ų34.429%0.2917%0.17SC..THydrogen-bonded Turntrans-57.4-25.4-170.3-71.4-167.2179.200113.7W607 L648 R650 R654 N657W607-E609 PolarHBondContact O-N 3.35Å; E609-L648 HydrophobicContact CG-CD2 4.12Å; E609-R650 IonicContact OE1-CZ 2.76Å; E609-R650 IonicContact OE1-NH2 3.44Å; E609-R650 PolarHBondContact OE1-NH2 3.45Å; E609-R650 IonicContact OE2-NH2 3.48Å; E609-R650 PolarHBondContact OE2-NH2 3.05Å; E609-R654 WeakPolarHBondContact O-CD 3.42Å; E609-N657 PolarHBondContact O-ND2 2.94Å
610D93.3Very high95.9Very high80 Ų8031.7 Ų31.743%0.42815%0.15SC..THydrogen-bonded Turntrans-72.8-24.9178.463.4-52.4000114.3P608 R654P608-D610 WeakPolarHBondContact CB-OD1 3.39Å; P608-D610 PolarHBondContact O-N 3.02Å; D610-R654 VanDerWaalsContact CA-CZ 3.5Å
611I94.3Very high96Very high14 Ų1430 Ų307%0.07214%0.141CC..THydrogen-bonded Turntrans-119.6-12.6-176.561.3176.3000115.3L558 A562 W607 P608 F613 P614L558-I611 HydrophobicContact CB-CB 4.19Å; L558-I611 HydrophobicContact CB-CG2 4.26Å; L558-I611 HydrophobicContact CD1-CB 4.18Å; L558-I611 HydrophobicContact CD1-CG2 4.43Å; L558-I611 WeakPolarHBondContact CD1-O 3.2Å; L558-I611 HydrophobicContact CD2-CG2 4.21Å; A562-I611 HydrophobicContact CB-CD1 3.98Å; W607-I611 HydrophobicContact CD2-CD1 3.66Å; W607-I611 HydrophobicContact CD2-CG1 3.73Å; W607-I611 HydrophobicContact CE3-CB 4.19Å; W607-I611 HydrophobicContact CE3-CD1 4.1Å; W607-I611 HydrophobicContact CE3-CG1 3.85Å; W607-I611 HydrophobicContact CG-CD1 4.07Å; W607-I611 HydrophobicContact CG-CG1 4.04Å; W607-I611 HydrophobicContact CH2-CD1 4.27Å; W607-I611 HydrophobicContact CZ2-CD1 3.87Å; W607-I611 HydrophobicContact CZ3-CB 4.31Å; W607-I611 HydrophobicContact CZ3-CD1 4.38Å; W607-I611 HydrophobicContact CZ3-CG1 4.34Å; P608-I611 HydrophobicContact CB-CG1 4.14Å; P608-I611 HydrophobicContact CG-CD1 4.36Å; P608-I611 HydrophobicContact CG-CG1 4.44Å; P608-I611 PolarHBondContact O-N 2.94Å; I611-F613 VanDerWaalsContact C-N 3.27Å; I611-F613 PolarHBondContact O-N 3.4Å; I611-F613 VanDerWaalsContact O-N 3.16Å; I611-P614 WeakPolarHBondContact O-CD 3.43Å
612V96.2Very high95.9Very high1 Ų130 Ų301%0.00614%0.141CC..  trans-64-20.6-173.473.60000116S605 W607 P608 P614 V615 L616S605-V612 WeakPolarHBondContact O-CG2 3.39Å; W607-V612 HydrophobicContact CB-CB 3.84Å; W607-V612 HydrophobicContact CB-CG2 3.75Å; W607-V612 WeakPolarHBondContact O-CB 3.27Å; P608-V612 WeakPolarHBondContact O-CB 3.43Å; P608-V612 PolarHBondContact O-N 3.41Å; V612-P614 VanDerWaalsContact C-CD 3.46Å; V612-V615 VanDerWaalsContact O-CB 3.31Å; V612-V615 WeakPolarHBondContact O-CB 3.46Å; V612-V615 PolarHBondContact O-N 2.91Å; V612-L616 HydrophobicContact CG1-CD1 3.89Å; V612-L616 HydrophobicContact CG1-CG 4.32Å; V612-L616 HydrophobicContact CG2-CD2 4.38Å; V612-L616 HydrophobicContact CG2-CG 4.17Å; V612-L616 PolarHBondContact O-N 2.94Å
613F96.3Very high95.9Very high59 Ų5927.5 Ų27.526%0.25913%0.132SC..Hα-helixtrans-59.5-34.8-166.673.2-90.9000116.3K554 L558 I611 V615 L616 D617 A656 L660K554-F613 HydrophobicContact CD-CZ 4.3Å; K554-F613 HydrophobicContact CG-CE2 3.86Å; K554-F613 HydrophobicContact CG-CZ 3.73Å; L558-F613 HydrophobicContact CD1-CD1 4.26Å; L558-F613 HydrophobicContact CD1-CE1 3.51Å; L558-F613 HydrophobicContact CD1-CZ 3.81Å; I611-F613 VanDerWaalsContact C-N 3.27Å; I611-F613 PolarHBondContact O-N 3.4Å; I611-F613 VanDerWaalsContact O-N 3.16Å; F613-V615 PolarHBondContact O-N 2.81Å; F613-L616 PolarHBondContact O-N 3.48Å; F613-D617 PolarHBondContact O-N 3.38Å; F613-A656 HydrophobicContact CB-CB 3.97Å; F613-A656 HydrophobicContact CG-CB 4.18Å; F613-L660 HydrophobicContact CB-CD1 3.95Å; F613-L660 WeakPolarHBondContact O-CD1 3.26Å
614P96.6Very high95.8Very high3 Ų323 Ų232%0.01911%0.11CC..Hα-helixtrans-64.2-32.3175.5-19.634.3000112K554 L555 L558 I611 V612 D617 I618K554-P614 HydrophobicContact CB-CG 4.2Å; K554-P614 HydrophobicContact CG-CG 3.91Å; L555-P614 HydrophobicContact CB-CB 4.05Å; L555-P614 HydrophobicContact CD1-CB 4.48Å; L558-P614 HydrophobicContact CD1-CG 3.78Å; I611-P614 WeakPolarHBondContact O-CD 3.43Å; V612-P614 VanDerWaalsContact C-CD 3.46Å; P614-D617 WeakPolarHBondContact O-CB 3.17Å; P614-D617 PolarHBondContact O-N 2.94Å; P614-I618 WeakPolarHBondContact O-CG1 3.4Å; P614-I618 PolarHBondContact O-N 2.91Å; P614-I618 VanDerWaalsContact O-N 3.1Å
615V97.4Very high95.7Very high0 Ų025.1 Ų25.10%012%0.12CC..Hα-helixtrans-70.3-40.1177.2-168.10000110.5L555 L601 V604 W607 V612 F613 D617 I618 L619L555-V615 HydrophobicContact CD1-CG2 3.85Å; L601-V615 HydrophobicContact CD1-CG1 3.96Å; V604-V615 HydrophobicContact CB-CG1 4.18Å; V604-V615 HydrophobicContact CG1-CB 4.47Å; V604-V615 HydrophobicContact CG1-CG1 3.89Å; V604-V615 HydrophobicContact CG1-CG2 3.75Å; W607-V615 HydrophobicContact CE3-CG2 3.88Å; W607-V615 HydrophobicContact CZ3-CG2 4.32Å; V612-V615 VanDerWaalsContact O-CB 3.31Å; V612-V615 WeakPolarHBondContact O-CB 3.46Å; V612-V615 PolarHBondContact O-N 2.91Å; F613-V615 PolarHBondContact O-N 2.81Å; V615-D617 PolarHBondContact O-N 3.24Å; V615-I618 PolarHBondContact O-N 3.42Å; V615-L619 WeakPolarHBondContact O-CB 3.37Å; V615-L619 PolarHBondContact O-N 3.14Å
616L97.8Very high95.5Very high0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-64.2-30.7172.3-58.9177.7000111.9V612 F613 L619 R620 L648 N657 L660V612-L616 HydrophobicContact CG1-CD1 3.89Å; V612-L616 HydrophobicContact CG1-CG 4.32Å; V612-L616 HydrophobicContact CG2-CD2 4.38Å; V612-L616 HydrophobicContact CG2-CG 4.17Å; V612-L616 PolarHBondContact O-N 2.94Å; F613-L616 PolarHBondContact O-N 3.48Å; L616-L619 HydrophobicContact CD2-CD2 4.25Å; L616-L619 PolarHBondContact O-N 2.88Å; L616-R620 PolarHBondContact O-N 2.91Å; L616-L648 HydrophobicContact CD1-CD1 3.87Å; L616-L648 HydrophobicContact CD2-CD1 3.98Å; L616-N657 HydrophobicContact CD1-CB 4.03Å; L616-L660 HydrophobicContact CB-CB 3.7Å; L616-L660 HydrophobicContact CB-CD1 3.92Å; L616-L660 HydrophobicContact CB-CG 4.46Å; L616-L660 HydrophobicContact CD1-CB 4.46Å
617D96.9Very high95.4Very high34 Ų3428.2 Ų28.218%0.18214%0.142CC..Hα-helixtrans-69.7-36.6175.3-148.65.9000111.6I551 F613 P614 V615 R620 L621 L660I551-D617 HydrophobicContact CD1-CB 4.25Å; I551-D617 HydrophobicContact CG1-CB 4.38Å; I551-D617 WeakPolarHBondContact CG1-OD2 3.14Å; I551-D617 HydrophobicContact CG2-CB 4.42Å; F613-D617 PolarHBondContact O-N 3.38Å; P614-D617 WeakPolarHBondContact O-CB 3.17Å; P614-D617 PolarHBondContact O-N 2.94Å; V615-D617 PolarHBondContact O-N 3.24Å; D617-R620 VanDerWaalsContact O-CG 3.29Å; D617-R620 WeakPolarHBondContact O-CG 3.35Å; D617-R620 IonicContact OD1-CZ 2.73Å; D617-R620 IonicContact OD1-NE 2.81Å; D617-R620 PolarHBondContact OD1-NE 3.18Å; D617-R620 IonicContact OD1-NH2 2.74Å; D617-R620 PolarHBondContact OD1-NH2 3.06Å; D617-R620 IonicContact OD2-NH2 3.93Å; D617-L621 VanDerWaalsContact O-CD1 3.31Å; D617-L621 WeakPolarHBondContact O-CD1 3.44Å; D617-L621 WeakPolarHBondContact O-CG 3.45Å; D617-L660 HydrophobicContact CB-CD1 4.06Å; D617-L660 HydrophobicContact CB-CD2 4.11Å; D617-L660 WeakPolarHBondContact OD1-CD2 3.31Å
618I97.1Very high95.4Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-65.4-46.4167.7-58.9172.4000110.4I551 I552 L555 L576 L580 L601 P614 V615 R620 L621 A622I551-I618 HydrophobicContact CG2-CD1 4.3Å; I551-I618 HydrophobicContact CG2-CG1 3.75Å; I552-I618 HydrophobicContact CD1-CD1 4.47Å; L555-I618 HydrophobicContact CD2-CD1 4.15Å; L576-I618 HydrophobicContact CB-CD1 4.25Å; L580-I618 HydrophobicContact CB-CG1 4.4Å; L580-I618 HydrophobicContact CB-CG2 4.39Å; L580-I618 HydrophobicContact CD1-CG1 4.15Å; L580-I618 HydrophobicContact CD1-CG2 4.43Å; L580-I618 HydrophobicContact CD2-CG1 4.15Å; L580-I618 HydrophobicContact CG-CG1 4.46Å; L601-I618 HydrophobicContact CD1-CB 4.16Å; L601-I618 HydrophobicContact CD1-CG2 3.85Å; L601-I618 HydrophobicContact CD2-CG2 4.49Å; P614-I618 WeakPolarHBondContact O-CG1 3.4Å; P614-I618 PolarHBondContact O-N 2.91Å; P614-I618 VanDerWaalsContact O-N 3.1Å; V615-I618 PolarHBondContact O-N 3.42Å; I618-R620 PolarHBondContact O-N 2.95Å; I618-L621 PolarHBondContact O-N 3.08Å; I618-L621 VanDerWaalsContact O-N 3.12Å; I618-A622 WeakPolarHBondContact O-CB 3.24Å; I618-A622 PolarHBondContact O-N 3.2Å
619L97.9Very high95.4Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-59.6-46.3-176.5179.861000112.8L601 V615 L616 L621 A622 V623 L632 L641 L645 T664L601-L619 HydrophobicContact CD1-CB 4.3Å; L601-L619 HydrophobicContact CD2-CD1 3.94Å; L601-L619 HydrophobicContact CG-CD1 4.18Å; V615-L619 WeakPolarHBondContact O-CB 3.37Å; V615-L619 PolarHBondContact O-N 3.14Å; L616-L619 HydrophobicContact CD2-CD2 4.25Å; L616-L619 PolarHBondContact O-N 2.88Å; L619-L621 PolarHBondContact O-N 2.94Å; L619-A622 PolarHBondContact O-N 2.95Å; L619-V623 PolarHBondContact O-N 3.49Å; L619-L632 HydrophobicContact CD1-CD1 3.74Å; L619-L641 HydrophobicContact CD2-CD1 4.27Å; L619-L645 HydrophobicContact CD2-CD2 4.41Å; L619-T664 HydrophobicContact CD2-CG2 4.36Å; L619-T664 HydrophobicContact CG-CG2 4.06Å
620R96.6Very high95.5Very high7 Ų727.2 Ų27.23%0.02614%0.136CC..Hα-helixtrans-62.1-30.1177.664.8133.4-177.2136.24.6112.7F543 Q545 L616 D617 I618 L660 R663 T664 N667F543-R620 PolarHBondContact O-NH1 3.08Å; Q545-R620 PolarHBondContact O-NH1 2.91Å; Q545-R620 PolarHBondContact O-NH2 3.35Å; L616-R620 PolarHBondContact O-N 2.91Å; D617-R620 VanDerWaalsContact O-CG 3.29Å; D617-R620 WeakPolarHBondContact O-CG 3.35Å; D617-R620 IonicContact OD1-CZ 2.73Å; D617-R620 IonicContact OD1-NE 2.81Å; D617-R620 PolarHBondContact OD1-NE 3.18Å; D617-R620 IonicContact OD1-NH2 2.74Å; D617-R620 PolarHBondContact OD1-NH2 3.06Å; D617-R620 IonicContact OD2-NH2 3.93Å; I618-R620 PolarHBondContact O-N 2.95Å; R620-L660 HydrophobicContact CG-CD2 4.39Å; R620-R663 HydrophobicContact CB-CB 4.24Å; R620-R663 HydrophobicContact CG-CB 4.49Å; R620-T664 WeakPolarHBondContact CB-OG1 3.19Å; R620-N667 WeakPolarHBondContact O-CB 3.48Å; R620-N667 PolarHBondContact O-ND2 2.83Å
621L95.8Very high95.6Very high1 Ų125.4 Ų25.41%0.00513%0.13CC..Hα-helixtrans-78.9-43.8177.8-65.6166.1000110.1A546 I551 L580 V583 D617 I618 L619 V623 R624A546-L621 HydrophobicContact CB-CD1 3.5Å; A546-L621 VanDerWaalsContact CB-CD1 3.5Å; A546-L621 HydrophobicContact CB-CD2 4Å; A546-L621 HydrophobicContact CB-CG 4.41Å; I551-L621 HydrophobicContact CD1-CD1 4.05Å; L580-L621 HydrophobicContact CD1-CD1 3.67Å; V583-L621 HydrophobicContact CG2-CB 4.03Å; D617-L621 VanDerWaalsContact O-CD1 3.31Å; D617-L621 WeakPolarHBondContact O-CD1 3.44Å; D617-L621 WeakPolarHBondContact O-CG 3.45Å; I618-L621 PolarHBondContact O-N 3.08Å; I618-L621 VanDerWaalsContact O-N 3.12Å; L619-L621 PolarHBondContact O-N 2.94Å; L621-V623 PolarHBondContact O-N 3.15Å; L621-R624 WeakPolarHBondContact O-CB 3.45Å; L621-R624 PolarHBondContact O-N 2.75Å
622A95.8Very high95.6Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-64.3-40-177.800000113.2V583 L601 I618 L619 R624 H625 V628V583-A622 HydrophobicContact CG1-CB 4.23Å; V583-A622 HydrophobicContact CG2-CB 4.37Å; L601-A622 HydrophobicContact CD2-CB 3.68Å; I618-A622 WeakPolarHBondContact O-CB 3.24Å; I618-A622 PolarHBondContact O-N 3.2Å; L619-A622 PolarHBondContact O-N 2.95Å; A622-R624 PolarHBondContact O-N 3.27Å; A622-H625 WeakPolarHBondContact O-CB 3.4Å; A622-H625 PolarHBondContact O-N 2.99Å; A622-V628 HydrophobicContact CB-CG1 4.09Å; A622-V628 VanDerWaalsContact O-CB 3.24Å; A622-V628 WeakPolarHBondContact O-CB 3.36Å
623V96Very high95.6Very high0 Ų025.3 Ų25.30%013%0.129CC..THydrogen-bonded Turntrans-63.3-11.5-177.380.80000114.6L619 L621 N629 T664 N667 S668L619-V623 PolarHBondContact O-N 3.49Å; L621-V623 PolarHBondContact O-N 3.15Å; V623-N629 WeakPolarHBondContact O-CB 3.43Å; V623-N629 PolarHBondContact O-ND2 2.88Å; V623-T664 HydrophobicContact CB-CG2 4.47Å; V623-T664 HydrophobicContact CG1-CG2 4.02Å; V623-N667 HydrophobicContact CG1-CB 3.8Å; V623-S668 WeakPolarHBondContact CG2-OG 3.25Å
624R94.2Very high95.3Very high68 Ų6823.1 Ų23.126%0.25712%0.123SC..THydrogen-bonded Turntrans-73.9-28.5170.8-63172.355.1-129.9-2.3112.5E544 L621 A622 N667E544-R624 IonicContact OE1-CZ 2.69Å; E544-R624 VanDerWaalsContact OE1-CZ 3.23Å; E544-R624 IonicContact OE1-NE 3.57Å; E544-R624 PolarHBondContact OE1-NE 3.02Å; E544-R624 IonicContact OE1-NH2 3.72Å; E544-R624 PolarHBondContact OE1-NH2 3.37Å; E544-R624 IonicContact OE2-CZ 2.7Å; E544-R624 IonicContact OE2-NH2 3.27Å; E544-R624 PolarHBondContact OE2-NH2 3.48Å; L621-R624 WeakPolarHBondContact O-CB 3.45Å; L621-R624 PolarHBondContact O-N 2.75Å; A622-R624 PolarHBondContact O-N 3.27Å; R624-N667 HydrophobicContact CG-CB 3.76Å
625H93.5Very high94.7Very high54 Ų5431.9 Ų31.925%0.2516%0.164CC..SBendtrans-72.1130.7-178.3-173.9-81.8000110.2V583 P593 A622 Q627 V628 N629V583-H625 HydrophobicContact CG1-CB 4.27Å; P593-H625 WeakPolarHBondContact CD-CE1 3.39Å; A622-H625 WeakPolarHBondContact O-CB 3.4Å; A622-H625 PolarHBondContact O-N 2.99Å; H625-Q627 PolarHBondContact ND1-N 3.16Å; H625-Q627 PolarHBondContact O-N 2.75Å; H625-V628 HydrophobicContact CB-CB 4.36Å; H625-V628 HydrophobicContact CB-CG2 3.93Å; H625-V628 PolarHBondContact O-N 2.89Å; H625-N629 PolarHBondContact O-N 3.49Å
626P91.8Very high94.2Very high96 Ų9634.5 Ų34.562%0.62319%0.185SC*.Hα-helixtrans-51.4-46.8-170.8-30.935.8000114.9V628 N629 E630P626-V628 VanDerWaalsContact C-N 3.34Å; P626-V628 PolarHBondContact O-N 2.98Å; P626-N629 WeakPolarHBondContact O-CB 3.1Å; P626-N629 PolarHBondContact O-N 2.7Å; P626-E630 WeakPolarHBondContact O-CB 3.37Å; P626-E630 PolarHBondContact O-N 3.19Å
627Q92.4Very high93.9Very high62 Ų6239.3 Ų39.329%0.2921%0.208SC..Hα-helixtrans-66.6-31.6179.5-173.5173.1-4.500113.6P593 I598 H625 S631P593-Q627 PolarHBondContact O-NE2 3.33Å; P593-Q627 VanDerWaalsContact O-NE2 3.09Å; P593-Q627 PolarHBondContact O-OE1 3.3Å; I598-Q627 HydrophobicContact CD1-CG 4.28Å; H625-Q627 PolarHBondContact ND1-N 3.16Å; H625-Q627 PolarHBondContact O-N 2.75Å; Q627-S631 VanDerWaalsContact O-CB 3.31Å; Q627-S631 WeakPolarHBondContact O-CB 3.32Å; Q627-S631 PolarHBondContact O-N 3.39Å
628V95Very high93.7Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-76.6-39.3176.7-174.30000109.8P593 I598 A622 H625 P626 S631 L632P593-V628 HydrophobicContact CB-CG2 3.9Å; P593-V628 HydrophobicContact CG-CG2 3.99Å; I598-V628 HydrophobicContact CD1-CB 4.49Å; I598-V628 HydrophobicContact CD1-CG2 4.03Å; I598-V628 HydrophobicContact CG1-CG2 4.05Å; A622-V628 HydrophobicContact CB-CG1 4.09Å; A622-V628 VanDerWaalsContact O-CB 3.24Å; A622-V628 WeakPolarHBondContact O-CB 3.36Å; H625-V628 HydrophobicContact CB-CB 4.36Å; H625-V628 HydrophobicContact CB-CG2 3.93Å; H625-V628 PolarHBondContact O-N 2.89Å; P626-V628 VanDerWaalsContact C-N 3.34Å; P626-V628 PolarHBondContact O-N 2.98Å; V628-S631 PolarHBondContact O-N 3.5Å; V628-L632 HydrophobicContact CG1-CD1 3.72Å; V628-L632 HydrophobicContact CG1-CG 4.19Å; V628-L632 WeakPolarHBondContact O-CB 3.35Å; V628-L632 PolarHBondContact O-N 3.24Å
629N95.8Very high93.5Very high1 Ų140.2 Ų40.21%0.00522%0.215CC..Hα-helixtrans-61.3-43173.9-163.4-92.1000111.5V623 H625 P626 C633 S668 G671 H673 G674V623-N629 WeakPolarHBondContact O-CB 3.43Å; V623-N629 PolarHBondContact O-ND2 2.88Å; H625-N629 PolarHBondContact O-N 3.49Å; P626-N629 WeakPolarHBondContact O-CB 3.1Å; P626-N629 PolarHBondContact O-N 2.7Å; N629-C633 WeakPolarHBondContact O-CA 3.41Å; N629-C633 WeakPolarHBondContact O-CB 3.31Å; N629-C633 PolarHBondContact O-N 3.14Å; N629-S668 PolarHBondContact ND2-O 3.27Å; N629-S668 VanDerWaalsContact ND2-O 3.08Å; N629-G671 VanDerWaalsContact OD1-C 3.31Å; N629-G671 VanDerWaalsContact OD1-CA 3.32Å; N629-G671 WeakPolarHBondContact OD1-CA 3.36Å; N629-H673 PolarHBondContact OD1-N 2.88Å; N629-G674 PolarHBondContact OD1-N 3.31Å
630E94.8Very high93.4Very high91 Ų9145.1 Ų45.143%0.42524%0.237SC..Hα-helixtrans-63.9-48.4173.9-174.3157.8-11900112.3P626 G634 R672 H673P626-E630 WeakPolarHBondContact O-CB 3.37Å; P626-E630 PolarHBondContact O-N 3.19Å; E630-G634 PolarHBondContact O-N 3.33Å; E630-G634 VanDerWaalsContact O-N 3.12Å; E630-R672 IonicContact OE1-CZ 3.67Å; E630-R672 IonicContact OE1-NH2 2.83Å; E630-R672 PolarHBondContact OE1-NH2 3.06Å; E630-H673 VanDerWaalsContact CA-ND1 3.32Å; E630-H673 WeakPolarHBondContact CA-ND1 3.08Å; E630-H673 VanDerWaalsContact CG-CE1 3.4Å; E630-H673 WeakPolarHBondContact CG-CE1 3.18Å; E630-H673 IonicContact OE1-CE1 3.92Å; E630-H673 PolarHBondContact OE1-CE1 3.46Å; E630-H673 IonicContact OE1-NE2 3.53Å
631S94.8Very high93.4Very high43 Ų4344.9 Ų44.930%0.30124%0.237SC..Hα-helixtrans-74.3-27-176.7-177.40000115.2Q627 V628Q627-S631 VanDerWaalsContact O-CB 3.31Å; Q627-S631 WeakPolarHBondContact O-CB 3.32Å; Q627-S631 PolarHBondContact O-N 3.39Å; V628-S631 PolarHBondContact O-N 3.5Å
632L95.8Very high93.4Very high9 Ų944.9 Ų44.95%0.04724%0.237CC..Hα-helixtrans-108.3-15.3-178.2-63.3-175.9000114I598 W602 L619 V628 G638 L641I598-L632 HydrophobicContact CG2-CD1 4.09Å; I598-L632 HydrophobicContact CG2-CD2 3.55Å; I598-L632 HydrophobicContact CG2-CG 3.61Å; W602-L632 HydrophobicContact CB-CD2 4.09Å; W602-L632 HydrophobicContact CG-CD2 4.45Å; L619-L632 HydrophobicContact CD1-CD1 3.74Å; V628-L632 HydrophobicContact CG1-CD1 3.72Å; V628-L632 HydrophobicContact CG1-CG 4.19Å; V628-L632 WeakPolarHBondContact O-CB 3.35Å; V628-L632 PolarHBondContact O-N 3.24Å; L632-G638 WeakPolarHBondContact O-CA 3.47Å; L632-L641 HydrophobicContact CB-CD2 4.2Å; L632-L641 VanDerWaalsContact O-CD2 3.29Å; L632-L641 WeakPolarHBondContact O-CD2 3.49Å
633C95.7Very high93.4Very high4 Ų449.2 Ų49.23%0.02726%0.26CS..Hα-helixtrans-114.73.7176.2-51.20000113.7N629 H673 L677N629-C633 WeakPolarHBondContact O-CA 3.41Å; N629-C633 WeakPolarHBondContact O-CB 3.31Å; N629-C633 PolarHBondContact O-N 3.14Å; C633-H673 HydrophobicContact CB-CB 4.09Å; C633-L677 HydrophobicContact CB-CB 4.46Å; C633-L677 HydrophobicContact CB-CD2 3.68Å
634G90.3Very high93.5Very high13 Ų1350.4 Ų50.413%0.13427%0.265CS..SBendtrans-71.6147.4170.200000112.5E630 A636 E637 G638E630-G634 PolarHBondContact O-N 3.33Å; E630-G634 VanDerWaalsContact O-N 3.12Å; G634-A636 PolarHBondContact O-N 3.16Å; G634-E637 PolarHBondContact O-N 3.31Å; G634-G638 PolarHBondContact O-N 3.31Å
635E83.2Confident93.7Very high187 Ų18747.1 Ų47.187%0.87425%0.253SS*.Hα-helixtrans29.9-111166.5-59.2-175.3-171.900116.4
636A86.8Confident93.9Very high54 Ų5445.4 Ų45.445%0.44625%0.246SC..Hα-helixtrans-80.9-36.6-172.300000112.5G634 G638 V639 Q640G634-A636 PolarHBondContact O-N 3.16Å; A636-G638 VanDerWaalsContact C-N 3.26Å; A636-G638 PolarHBondContact O-N 2.89Å; A636-V639 PolarHBondContact O-N 3.48Å; A636-Q640 PolarHBondContact O-N 3.24Å; A636-Q640 VanDerWaalsContact O-N 3.17Å
637E91.4Very high94.1Very high102 Ų10243.3 Ų43.348%0.47723%0.233SC..Hα-helixtrans-59.2-39.3176.4-69.370.7-16200111G634 V639 Q640 L641G634-E637 PolarHBondContact O-N 3.31Å; E637-V639 PolarHBondContact O-N 2.92Å; E637-Q640 WeakPolarHBondContact O-CB 3.1Å; E637-Q640 PolarHBondContact O-N 3.37Å; E637-L641 PolarHBondContact O-N 3.28Å
638G92.6Very high94.3Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-61.5-40.6175.900000113.4L632 G634 A636 Q640 L641 C642 L677L632-G638 WeakPolarHBondContact O-CA 3.47Å; G634-G638 PolarHBondContact O-N 3.31Å; A636-G638 VanDerWaalsContact C-N 3.26Å; A636-G638 PolarHBondContact O-N 2.89Å; G638-Q640 VanDerWaalsContact C-N 3.35Å; G638-L641 PolarHBondContact O-N 3.42Å; G638-C642 PolarHBondContact O-N 2.84Å; G638-C642 PolarHBondContact O-SG 3.34Å; G638-C642 VanDerWaalsContact O-SG 3.42Å; G638-L677 VanDerWaalsContact CA-CD2 3.49Å; G638-L677 WeakPolarHBondContact O-CD1 3.2Å; G638-L677 WeakPolarHBondContact O-CD2 3.45Å
639V93.1Very high94.3Very high53 Ų5340.7 Ų40.732%0.32122%0.221SC..Hα-helixtrans-66.7-39.2175.9179.70000110.5A636 E637 C642 N643 L677A636-V639 PolarHBondContact O-N 3.48Å; E637-V639 PolarHBondContact O-N 2.92Å; V639-C642 PolarHBondContact O-N 2.8Å; V639-N643 WeakPolarHBondContact O-CB 3.36Å; V639-N643 VanDerWaalsContact O-CG 3.27Å; V639-N643 PolarHBondContact O-N 2.88Å; V639-N643 PolarHBondContact O-ND2 2.93Å; V639-L677 HydrophobicContact CG2-CD1 4.48Å
640Q95.8Very high94.1Very high102 Ų10245.1 Ų45.148%0.47724%0.238SC..Hα-helixtrans-63.5-45173.9-62.91762700111.7W602 A636 E637 G638 C642 N643 H644W602-Q640 HydrophobicContact CH2-CB 4.21Å; W602-Q640 HydrophobicContact CZ2-CB 3.87Å; A636-Q640 PolarHBondContact O-N 3.24Å; A636-Q640 VanDerWaalsContact O-N 3.17Å; E637-Q640 WeakPolarHBondContact O-CB 3.1Å; E637-Q640 PolarHBondContact O-N 3.37Å; G638-Q640 VanDerWaalsContact C-N 3.35Å; Q640-C642 PolarHBondContact O-N 2.72Å; Q640-N643 PolarHBondContact O-N 2.93Å; Q640-H644 WeakPolarHBondContact O-CB 3.32Å; Q640-H644 PolarHBondContact O-N 2.93Å
641L96.7Very high93.8Very high2 Ų243.5 Ų43.51%0.0124%0.235CC..Hα-helixtrans-57.2-48.5174.1175.966.7000111.2W602 L619 L632 E637 G638 H644 L645W602-L641 HydrophobicContact CE3-CD1 4.32Å; W602-L641 HydrophobicContact CH2-CB 4.38Å; W602-L641 HydrophobicContact CZ3-CB 4.14Å; W602-L641 HydrophobicContact CZ3-CD1 3.73Å; L619-L641 HydrophobicContact CD2-CD1 4.27Å; L632-L641 HydrophobicContact CB-CD2 4.2Å; L632-L641 VanDerWaalsContact O-CD2 3.29Å; L632-L641 WeakPolarHBondContact O-CD2 3.49Å; E637-L641 PolarHBondContact O-N 3.28Å; G638-L641 PolarHBondContact O-N 3.42Å; L641-H644 PolarHBondContact O-N 3.16Å; L641-L645 HydrophobicContact CD1-CD1 3.86Å; L641-L645 HydrophobicContact CD1-CG 4.05Å; L641-L645 HydrophobicContact CG-CD1 3.92Å; L641-L645 HydrophobicContact CG-CG 4.43Å; L641-L645 VanDerWaalsContact O-CG 3.23Å; L641-L645 WeakPolarHBondContact O-CG 3.28Å; L641-L645 PolarHBondContact O-N 3.35Å
642C96.4Very high93.4Very high1 Ų147.7 Ų47.71%0.00725%0.254CS..Hα-helixtrans-58.9-51.6177.2-740000111.4G638 V639 Q640 H644 L645 L646 L677 Q681G638-C642 PolarHBondContact O-N 2.84Å; G638-C642 PolarHBondContact O-SG 3.34Å; G638-C642 VanDerWaalsContact O-SG 3.42Å; V639-C642 PolarHBondContact O-N 2.8Å; Q640-C642 PolarHBondContact O-N 2.72Å; C642-H644 VanDerWaalsContact C-N 3.3Å; C642-H644 PolarHBondContact O-N 2.8Å; C642-L645 PolarHBondContact O-N 2.95Å; C642-L646 WeakPolarHBondContact O-CB 3Å; C642-L646 WeakPolarHBondContact O-CG 3.46Å; C642-L646 PolarHBondContact O-N 2.66Å; C642-L677 VanDerWaalsContact SG-CG 3.58Å; C642-Q681 HydrophobicContact CB-CG 4.33Å
643N96.2Very high93.2Very high92 Ų9247.9 Ų47.949%0.49226%0.258SS..Hα-helixtrans-58.4-41.7-179.3-72.3-20.7000112.4V639 Q640 L646 S647V639-N643 WeakPolarHBondContact O-CB 3.36Å; V639-N643 VanDerWaalsContact O-CG 3.27Å; V639-N643 PolarHBondContact O-N 2.88Å; V639-N643 PolarHBondContact O-ND2 2.93Å; Q640-N643 PolarHBondContact O-N 2.93Å; N643-L646 PolarHBondContact O-N 3.01Å; N643-S647 PolarHBondContact O-N 2.95Å
644H97.5Very high93.1Very high24 Ų2453.9 Ų53.911%0.11128%0.28CS..Hα-helixtrans-61.7-51.4175-17739.9000112W602 S605 H606 Q640 L641 C642 L646 S647 L648W602-H644 HydrophobicContact CH2-CB 3.92Å; W602-H644 HydrophobicContact CZ3-CB 4.31Å; W602-H644 AromaticContact CZ3-CD2 3.99Å; S605-H644 PolarHBondContact O-CE1 3.22Å; S605-H644 PolarHBondContact O-NE2 2.9Å; H606-H644 AromaticContact CD2-CE1 3.82Å; H606-H644 AromaticContact CD2-ND1 3.97Å; H606-H644 AromaticContact CE1-CD2 3.78Å; H606-H644 AromaticContact CE1-NE2 3.99Å; H606-H644 AromaticContact NE2-CD2 3.85Å; H606-H644 AromaticContact NE2-CG 3.74Å; H606-H644 AromaticContact NE2-ND1 3.9Å; Q640-H644 WeakPolarHBondContact O-CB 3.32Å; Q640-H644 PolarHBondContact O-N 2.93Å; L641-H644 PolarHBondContact O-N 3.16Å; C642-H644 VanDerWaalsContact C-N 3.3Å; C642-H644 PolarHBondContact O-N 2.8Å; H644-L646 VanDerWaalsContact C-N 3.3Å; H644-L646 PolarHBondContact O-N 3.26Å; H644-S647 WeakPolarHBondContact O-CB 3.17Å; H644-S647 PolarHBondContact O-N 3.36Å; H644-S647 VanDerWaalsContact O-N 3.11Å; H644-S647 PolarHBondContact O-OG 3.27Å; H644-L648 PolarHBondContact O-N 3.23Å
645L98.1Very high93.3Very high0 Ų055.9 Ų55.90%029%0.291CS..Hα-helixtrans-60.9-38.1178.7-64.7175.8000112.2L619 L641 C642 S647 L648 M649 A661 T664 L665L619-L645 HydrophobicContact CD2-CD2 4.41Å; L641-L645 HydrophobicContact CD1-CD1 3.86Å; L641-L645 HydrophobicContact CD1-CG 4.05Å; L641-L645 HydrophobicContact CG-CD1 3.92Å; L641-L645 HydrophobicContact CG-CG 4.43Å; L641-L645 VanDerWaalsContact O-CG 3.23Å; L641-L645 WeakPolarHBondContact O-CG 3.28Å; L641-L645 PolarHBondContact O-N 3.35Å; C642-L645 PolarHBondContact O-N 2.95Å; L645-S647 VanDerWaalsContact C-N 3.35Å; L645-S647 PolarHBondContact O-N 3.13Å; L645-L648 PolarHBondContact O-N 2.87Å; L645-M649 VanDerWaalsContact O-CG 3.28Å; L645-M649 WeakPolarHBondContact O-CG 3.28Å; L645-M649 PolarHBondContact O-N 3.48Å; L645-A661 HydrophobicContact CB-CB 4.25Å; L645-A661 HydrophobicContact CD2-CB 4Å; L645-T664 HydrophobicContact CD1-CG2 3.71Å; L645-T664 HydrophobicContact CD2-CG2 4.27Å; L645-L665 HydrophobicContact CB-CD2 4.46Å; L645-L665 HydrophobicContact CD1-CD2 3.74Å; L645-L665 HydrophobicContact CD1-CG 4.05Å
646L97.2Very high93.8Very high18 Ų1848.7 Ų48.79%0.09426%0.264CS..Hα-helixtrans-67.5-32.2176.6-66170.8000112.7C642 N643 H644 L648 M649 A684 V685 R688C642-L646 WeakPolarHBondContact O-CB 3Å; C642-L646 WeakPolarHBondContact O-CG 3.46Å; C642-L646 PolarHBondContact O-N 2.66Å; N643-L646 PolarHBondContact O-N 3.01Å; H644-L646 VanDerWaalsContact C-N 3.3Å; H644-L646 PolarHBondContact O-N 3.26Å; L646-L648 VanDerWaalsContact C-N 3.29Å; L646-L648 PolarHBondContact O-N 3.08Å; L646-M649 HydrophobicContact CD2-CE 4.45Å; L646-M649 HydrophobicContact CD2-SD 4.38Å; L646-M649 PolarHBondContact O-N 2.93Å; L646-A684 HydrophobicContact CD1-CB 3.93Å; L646-V685 HydrophobicContact CD2-CG2 4.3Å; L646-R688 HydrophobicContact CD2-CB 3.65Å; L646-R688 HydrophobicContact CD2-CG 3.82Å
647S96.4Very high94.3Very high51 Ų5146.2 Ų46.236%0.35724%0.243SC..Hα-helixtrans-66-30.8174.382.20000112.9N643 H644 L645 M649 R650N643-S647 PolarHBondContact O-N 2.95Å; H644-S647 WeakPolarHBondContact O-CB 3.17Å; H644-S647 PolarHBondContact O-N 3.36Å; H644-S647 VanDerWaalsContact O-N 3.11Å; H644-S647 PolarHBondContact O-OG 3.27Å; L645-S647 VanDerWaalsContact C-N 3.35Å; L645-S647 PolarHBondContact O-N 3.13Å; S647-M649 VanDerWaalsContact C-N 3.33Å; S647-R650 WeakPolarHBondContact O-CG 3.4Å; S647-R650 PolarHBondContact O-NE 3.42Å
648L96.6Very high94.6Very high8 Ų841.4 Ų41.44%0.04222%0.221CC..THydrogen-bonded Turntrans-82-11.4176.6-62.9169.5000113.1E609 L616 H644 L645 L646 N657 Q658 A661E609-L648 HydrophobicContact CG-CD2 4.12Å; L616-L648 HydrophobicContact CD1-CD1 3.87Å; L616-L648 HydrophobicContact CD2-CD1 3.98Å; H644-L648 PolarHBondContact O-N 3.23Å; L645-L648 PolarHBondContact O-N 2.87Å; L646-L648 VanDerWaalsContact C-N 3.29Å; L646-L648 PolarHBondContact O-N 3.08Å; L648-N657 HydrophobicContact CB-CB 4.3Å; L648-N657 HydrophobicContact CD2-CB 4.28Å; L648-Q658 WeakPolarHBondContact O-CG 3.33Å; L648-A661 HydrophobicContact CB-CB 4.29Å
649M95.6Very high94.7Very high0 Ų042.4 Ų42.40%023%0.226CC..THydrogen-bonded Turntrans-96.911.9-179.1-73170.157.100113.7L645 L646 S647 A661 L662 L665 R688 A689 L692L645-M649 VanDerWaalsContact O-CG 3.28Å; L645-M649 WeakPolarHBondContact O-CG 3.28Å; L645-M649 PolarHBondContact O-N 3.48Å; L646-M649 HydrophobicContact CD2-CE 4.45Å; L646-M649 HydrophobicContact CD2-SD 4.38Å; L646-M649 PolarHBondContact O-N 2.93Å; S647-M649 VanDerWaalsContact C-N 3.33Å; M649-A661 HydrophobicContact CG-CB 3.78Å; M649-A661 HydrophobicContact SD-CB 4.1Å; M649-L662 HydrophobicContact CE-CD2 3.49Å; M649-L662 VanDerWaalsContact CE-CD2 3.49Å; M649-L662 HydrophobicContact CE-CG 4.01Å; M649-L662 HydrophobicContact SD-CD2 4.31Å; M649-L662 HydrophobicContact SD-CG 4.37Å; M649-L665 HydrophobicContact CE-CD1 3.99Å; M649-L665 HydrophobicContact SD-CD1 3.49Å; M649-L665 WeakPolarHBondContact SD-CD1 3.29Å; M649-R688 HydrophobicContact CB-CG 3.64Å; M649-R688 HydrophobicContact CE-CG 4.08Å; M649-R688 WeakPolarHBondContact O-CD 3.28Å; M649-A689 HydrophobicContact CE-CB 3.94Å; M649-L692 HydrophobicContact CB-CD1 3.96Å; M649-L692 HydrophobicContact CE-CD1 4.1Å; M649-L692 HydrophobicContact CG-CD1 4.06Å; M649-L692 WeakPolarHBondContact O-CD2 3.45Å
650R92.2Very high95Very high93 Ų9340.4 Ų40.435%0.35121%0.213SC..  trans-58.9136.9173-67178.9-70.1142.8-8.6110.6E609 S647 D652 G653 Q658E609-R650 IonicContact OE1-CZ 2.76Å; E609-R650 IonicContact OE1-NH2 3.44Å; E609-R650 PolarHBondContact OE1-NH2 3.45Å; E609-R650 IonicContact OE2-NH2 3.48Å; E609-R650 PolarHBondContact OE2-NH2 3.05Å; S647-R650 WeakPolarHBondContact O-CG 3.4Å; S647-R650 PolarHBondContact O-NE 3.42Å; R650-D652 VanDerWaalsContact C-N 3.3Å; R650-D652 WeakPolarHBondContact CB-OD1 3.47Å; R650-D652 IonicContact NH1-OD2 2.7Å; R650-D652 PolarHBondContact O-N 3.39Å; R650-G653 WeakPolarHBondContact O-CA 3.36Å; R650-G653 PolarHBondContact O-N 2.81Å; R650-Q658 PolarHBondContact O-NE2 3.17Å
651P86.8Confident95.1Very high58 Ų5835.5 Ų35.538%0.37719%0.191SC..THydrogen-bonded Turntrans-60.1-32.9-175-27.636.6000115.4G653 Q658 D691 V695P651-G653 VanDerWaalsContact C-N 3.28Å; P651-Q658 PolarHBondContact O-NE2 3.18Å; P651-Q658 VanDerWaalsContact O-NE2 3.13Å; P651-D691 HydrophobicContact CG-CB 3.93Å; P651-V695 HydrophobicContact CB-CG2 4.34Å
652D88.1Confident95.1Very high130 Ų13035.4 Ų35.470%0.69519%0.19SC*.THydrogen-bonded Turntrans-78.4-7.8173.460.9-49.3000113.7R650R650-D652 VanDerWaalsContact C-N 3.3Å; R650-D652 WeakPolarHBondContact CB-OD1 3.47Å; R650-D652 IonicContact NH1-OD2 2.7Å; R650-D652 PolarHBondContact O-N 3.39Å
653G90.3Very high95.2Very high13 Ų1337.9 Ų37.913%0.13420%0.199CC..SBendtrans-70.8174.4178.900000114.6R650 P651 P655 Q658R650-G653 WeakPolarHBondContact O-CA 3.36Å; R650-G653 PolarHBondContact O-N 2.81Å; P651-G653 VanDerWaalsContact C-N 3.28Å; G653-P655 WeakPolarHBondContact O-CD 3.39Å; G653-Q658 PolarHBondContact O-NE2 3.36Å; G653-Q658 VanDerWaalsContact O-NE2 3.15Å
654R93.4Very high95.3Very high130 Ų13033.5 Ų33.549%0.49118%0.176SC..  trans-73.4125.9-175.4-70.7174.9178.3-107.9-3.4111.6E609 D610 A656 N657 Q658E609-R654 WeakPolarHBondContact O-CD 3.42Å; D610-R654 VanDerWaalsContact CA-CZ 3.5Å; R654-A656 PolarHBondContact O-N 3.03Å; R654-N657 HydrophobicContact CB-CB 4.48Å; R654-N657 PolarHBondContact O-N 3.09Å; R654-Q658 PolarHBondContact O-N 3.41Å; R654-Q658 VanDerWaalsContact O-N 3.08Å
655P93.9Very high95.4Very high55 Ų5532.4 Ų32.436%0.35717%0.171SC..Hα-helixtrans-60.2-22.8-176.4-29.236.3000116.6G653 L659 I700G653-P655 WeakPolarHBondContact O-CD 3.39Å; P655-L659 VanDerWaalsContact O-CB 3.24Å; P655-L659 WeakPolarHBondContact O-CB 3.44Å; P655-L659 PolarHBondContact O-N 2.91Å; P655-I700 HydrophobicContact CB-CD1 4.15Å
656A94.6Very high95.4Very high37 Ų3732.4 Ų32.431%0.30617%0.171SC..Hα-helixtrans-70.1-42.7172.800000111.4F613 R654 L660F613-A656 HydrophobicContact CB-CB 3.97Å; F613-A656 HydrophobicContact CG-CB 4.18Å; R654-A656 PolarHBondContact O-N 3.03Å; A656-L660 WeakPolarHBondContact O-CB 3.49Å; A656-L660 VanDerWaalsContact O-CG 3.29Å; A656-L660 WeakPolarHBondContact O-CG 3.45Å; A656-L660 PolarHBondContact O-N 2.79Å
657N96.9Very high95.4Very high2 Ų231.6 Ų31.61%0.01117%0.166CC..Hα-helixtrans-71.4-46.7-178.6-57.4-1.4000110.4E609 L616 L648 R654 L659 L660 A661E609-N657 PolarHBondContact O-ND2 2.94Å; L616-N657 HydrophobicContact CD1-CB 4.03Å; L648-N657 HydrophobicContact CB-CB 4.3Å; L648-N657 HydrophobicContact CD2-CB 4.28Å; R654-N657 HydrophobicContact CB-CB 4.48Å; R654-N657 PolarHBondContact O-N 3.09Å; N657-L659 VanDerWaalsContact C-N 3.31Å; N657-L659 PolarHBondContact O-N 2.96Å; N657-L660 PolarHBondContact O-N 3.31Å; N657-A661 VanDerWaalsContact O-CB 3.26Å; N657-A661 WeakPolarHBondContact O-CB 3.34Å; N657-A661 PolarHBondContact O-N 3.09Å
658Q97.2Very high95.4Very high1 Ų129.2 Ų29.21%0.00515%0.15CC..Hα-helixtrans-51.5-49173.3-67.8169.4-18.100111.6L648 R650 P651 G653 R654 L662 L692 I700L648-Q658 WeakPolarHBondContact O-CG 3.33Å; R650-Q658 PolarHBondContact O-NE2 3.17Å; P651-Q658 PolarHBondContact O-NE2 3.18Å; P651-Q658 VanDerWaalsContact O-NE2 3.13Å; G653-Q658 PolarHBondContact O-NE2 3.36Å; G653-Q658 VanDerWaalsContact O-NE2 3.15Å; R654-Q658 PolarHBondContact O-N 3.41Å; R654-Q658 VanDerWaalsContact O-N 3.08Å; Q658-L662 WeakPolarHBondContact O-CG 3.29Å; Q658-L662 PolarHBondContact O-N 3.3Å; Q658-L692 HydrophobicContact CB-CD1 4.27Å; Q658-L692 HydrophobicContact CB-CD2 4.42Å; Q658-L692 HydrophobicContact CG-CD2 4.01Å; Q658-I700 HydrophobicContact CB-CD1 3.82Å
659L96.8Very high95.3Very high20 Ų2028.9 Ų28.911%0.10515%0.148CC..Hα-helixtrans-63.1-47.5179.5174.959.5000112.2P655 N657 R663 N699 I700 A703P655-L659 VanDerWaalsContact O-CB 3.24Å; P655-L659 WeakPolarHBondContact O-CB 3.44Å; P655-L659 PolarHBondContact O-N 2.91Å; N657-L659 VanDerWaalsContact C-N 3.31Å; N657-L659 PolarHBondContact O-N 2.96Å; L659-R663 HydrophobicContact CD1-CG 4.34Å; L659-R663 VanDerWaalsContact O-CG 3.28Å; L659-R663 WeakPolarHBondContact O-CG 3.39Å; L659-R663 PolarHBondContact O-N 2.83Å; L659-N699 HydrophobicContact CD1-CB 3.85Å; L659-N699 VanDerWaalsContact CD1-O 3.26Å; L659-N699 WeakPolarHBondContact CD1-O 3.29Å; L659-N699 HydrophobicContact CD2-CB 3.75Å; L659-N699 HydrophobicContact CG-CB 4.46Å; L659-I700 HydrophobicContact CB-CG1 3.98Å; L659-I700 HydrophobicContact CD1-CG1 4.45Å; L659-A703 HydrophobicContact CD1-CB 4.02Å
660L97.9Very high95.1Very high11 Ų1131.3 Ų31.36%0.05817%0.165CC..Hα-helixtrans-72.1-35.6-176.6-67.5172000111.6F613 L616 D617 R620 A656 N657 R663 T664F613-L660 HydrophobicContact CB-CD1 3.95Å; F613-L660 WeakPolarHBondContact O-CD1 3.26Å; L616-L660 HydrophobicContact CB-CB 3.7Å; L616-L660 HydrophobicContact CB-CD1 3.92Å; L616-L660 HydrophobicContact CB-CG 4.46Å; L616-L660 HydrophobicContact CD1-CB 4.46Å; D617-L660 HydrophobicContact CB-CD1 4.06Å; D617-L660 HydrophobicContact CB-CD2 4.11Å; D617-L660 WeakPolarHBondContact OD1-CD2 3.31Å; R620-L660 HydrophobicContact CG-CD2 4.39Å; A656-L660 WeakPolarHBondContact O-CB 3.49Å; A656-L660 VanDerWaalsContact O-CG 3.29Å; A656-L660 WeakPolarHBondContact O-CG 3.45Å; A656-L660 PolarHBondContact O-N 2.79Å; N657-L660 PolarHBondContact O-N 3.31Å; L660-R663 PolarHBondContact O-N 3.13Å; L660-T664 PolarHBondContact O-N 3.18Å; L660-T664 PolarHBondContact O-OG1 3.47Å
661A98.2Very high95Very high0 Ų027.6 Ų27.60%016%0.156CC..Hα-helixtrans-61.3-48.9172.700000112L645 L648 M649 N657 R663 T664 L665L645-A661 HydrophobicContact CB-CB 4.25Å; L645-A661 HydrophobicContact CD2-CB 4Å; L648-A661 HydrophobicContact CB-CB 4.29Å; M649-A661 HydrophobicContact CG-CB 3.78Å; M649-A661 HydrophobicContact SD-CB 4.1Å; N657-A661 VanDerWaalsContact O-CB 3.26Å; N657-A661 WeakPolarHBondContact O-CB 3.34Å; N657-A661 PolarHBondContact O-N 3.09Å; A661-R663 VanDerWaalsContact C-N 3.28Å; A661-R663 PolarHBondContact O-N 3.07Å; A661-T664 WeakPolarHBondContact O-CB 3.45Å; A661-T664 PolarHBondContact O-N 3.04Å; A661-T664 VanDerWaalsContact O-N 3.16Å; A661-L665 WeakPolarHBondContact O-CG 3.43Å; A661-L665 PolarHBondContact O-N 3.35Å
662L97.8Very high95.3Very high0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-56.3-41172.5-80.7171.6000112.3M649 Q658 L665 C666 A689 L692 I700 A703 L704 L707M649-L662 HydrophobicContact CE-CD2 3.49Å; M649-L662 VanDerWaalsContact CE-CD2 3.49Å; M649-L662 HydrophobicContact CE-CG 4.01Å; M649-L662 HydrophobicContact SD-CD2 4.31Å; M649-L662 HydrophobicContact SD-CG 4.37Å; Q658-L662 WeakPolarHBondContact O-CG 3.29Å; Q658-L662 PolarHBondContact O-N 3.3Å; L662-L665 PolarHBondContact O-N 3.07Å; L662-C666 PolarHBondContact O-N 3.38Å; L662-C666 PolarHBondContact O-SG 2.75Å; L662-A689 HydrophobicContact CD2-CB 4.03Å; L662-L692 HydrophobicContact CD1-CD1 3.7Å; L662-L692 HydrophobicContact CD2-CD1 4.49Å; L662-L692 HydrophobicContact CG-CD1 4.06Å; L662-I700 HydrophobicContact CD1-CG2 3.82Å; L662-A703 HydrophobicContact CB-CB 3.75Å; L662-A703 HydrophobicContact CD1-CB 4.11Å; L662-L704 HydrophobicContact CD1-CB 4.5Å; L662-L707 HydrophobicContact CD2-CD2 3.79Å
663R98.1Very high95.7Very high53 Ų5329.2 Ų29.220%0.215%0.146CC..Hα-helixtrans-68.5-36.6177.4-72.3178.9168.8-178.1-2.3112.9F543 R620 L659 L660 A661 C666 N667 A703F543-R663 HydrophobicContact CB-CB 4.29Å; F543-R663 HydrophobicContact CB-CG 4.04Å; F543-R663 HydrophobicContact CD1-CG 4.2Å; F543-R663 HydrophobicContact CD2-CB 4.13Å; F543-R663 HydrophobicContact CD2-CG 3.66Å; F543-R663 HydrophobicContact CE2-CG 4.13Å; F543-R663 HydrophobicContact CG-CB 4.32Å; F543-R663 HydrophobicContact CG-CG 3.69Å; R620-R663 HydrophobicContact CB-CB 4.24Å; R620-R663 HydrophobicContact CG-CB 4.49Å; L659-R663 HydrophobicContact CD1-CG 4.34Å; L659-R663 VanDerWaalsContact O-CG 3.28Å; L659-R663 WeakPolarHBondContact O-CG 3.39Å; L659-R663 PolarHBondContact O-N 2.83Å; L660-R663 PolarHBondContact O-N 3.13Å; A661-R663 VanDerWaalsContact C-N 3.28Å; A661-R663 PolarHBondContact O-N 3.07Å; R663-C666 PolarHBondContact O-N 3.08Å; R663-N667 VanDerWaalsContact O-CB 3.28Å; R663-N667 WeakPolarHBondContact O-CB 3.47Å; R663-N667 VanDerWaalsContact O-CG 3.25Å; R663-N667 PolarHBondContact O-N 3.24Å; R663-A703 HydrophobicContact CG-CB 4.3Å
664T98.4Very high95.9Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-59.9-49.5171.8-560000109.9L619 R620 V623 L645 L660 A661 C666 N667 S668L619-T664 HydrophobicContact CD2-CG2 4.36Å; L619-T664 HydrophobicContact CG-CG2 4.06Å; R620-T664 WeakPolarHBondContact CB-OG1 3.19Å; V623-T664 HydrophobicContact CB-CG2 4.47Å; V623-T664 HydrophobicContact CG1-CG2 4.02Å; L645-T664 HydrophobicContact CD1-CG2 3.71Å; L645-T664 HydrophobicContact CD2-CG2 4.27Å; L660-T664 PolarHBondContact O-N 3.18Å; L660-T664 PolarHBondContact O-OG1 3.47Å; A661-T664 WeakPolarHBondContact O-CB 3.45Å; A661-T664 PolarHBondContact O-N 3.04Å; A661-T664 VanDerWaalsContact O-N 3.16Å; T664-C666 PolarHBondContact O-N 2.63Å; T664-N667 CarbonylContact O-C 3.6Å; T664-N667 PolarHBondContact O-N 2.72Å; T664-N667 VanDerWaalsContact O-N 3.11Å; T664-S668 PolarHBondContact O-N 3.3Å; T664-S668 PolarHBondContact O-OG 3.03Å
665L98.2Very high95.9Very high1 Ų126.9 Ų26.91%0.00513%0.134CC..Hα-helixtrans-58.1-46176.6-63.4169.5000112L645 M649 A661 L662 N667 S668 F669 L678 V685 L707L645-L665 HydrophobicContact CB-CD2 4.46Å; L645-L665 HydrophobicContact CD1-CD2 3.74Å; L645-L665 HydrophobicContact CD1-CG 4.05Å; M649-L665 HydrophobicContact CE-CD1 3.99Å; M649-L665 HydrophobicContact SD-CD1 3.49Å; M649-L665 WeakPolarHBondContact SD-CD1 3.29Å; A661-L665 WeakPolarHBondContact O-CG 3.43Å; A661-L665 PolarHBondContact O-N 3.35Å; L662-L665 PolarHBondContact O-N 3.07Å; L665-N667 VanDerWaalsContact C-N 3.3Å; L665-N667 PolarHBondContact O-N 2.85Å; L665-S668 PolarHBondContact O-N 3.09Å; L665-F669 WeakPolarHBondContact O-CD2 3.1Å; L665-L678 HydrophobicContact CD2-CD2 3.63Å; L665-L678 WeakPolarHBondContact O-CD1 3.47Å; L665-V685 HydrophobicContact CD1-CG1 4.11Å; L665-L707 HydrophobicContact CB-CD1 3.95Å; L665-L707 HydrophobicContact CB-CD2 4.44Å; L665-L707 HydrophobicContact CD1-CD2 4.27Å
666C98Very high95.9Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-58.1-44.2174.8-650000111.7F543 L662 R663 T664 S668 F669 A703 T706 N710F543-C666 HydrophobicContact CD2-CB 3.88Å; F543-C666 HydrophobicContact CE2-CB 3.96Å; L662-C666 PolarHBondContact O-N 3.38Å; L662-C666 PolarHBondContact O-SG 2.75Å; R663-C666 PolarHBondContact O-N 3.08Å; T664-C666 PolarHBondContact O-N 2.63Å; C666-S668 PolarHBondContact O-N 3.24Å; C666-F669 WeakPolarHBondContact O-CB 3.37Å; C666-F669 PolarHBondContact O-N 2.87Å; C666-A703 PolarHBondContact SG-O 3.4Å; C666-A703 VanDerWaalsContact SG-O 3.41Å; C666-T706 HydrophobicContact CB-CG2 4.46Å; C666-N710 PolarHBondContact O-ND2 3.4Å
667N97.5Very high95.9Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-72.7-25.7-176.8-76.32.5000113.4T542 F543 R620 V623 R624 R663 T664 L665 F669 S670T542-N667 WeakPolarHBondContact CA-OD1 3.38Å; F543-N667 PolarHBondContact N-OD1 3.25Å; F543-N667 PolarHBondContact O-ND2 2.6Å; R620-N667 WeakPolarHBondContact O-CB 3.48Å; R620-N667 PolarHBondContact O-ND2 2.83Å; V623-N667 HydrophobicContact CG1-CB 3.8Å; R624-N667 HydrophobicContact CG-CB 3.76Å; R663-N667 VanDerWaalsContact O-CB 3.28Å; R663-N667 WeakPolarHBondContact O-CB 3.47Å; R663-N667 VanDerWaalsContact O-CG 3.25Å; R663-N667 PolarHBondContact O-N 3.24Å; T664-N667 CarbonylContact O-C 3.6Å; T664-N667 PolarHBondContact O-N 2.72Å; T664-N667 VanDerWaalsContact O-N 3.11Å; L665-N667 VanDerWaalsContact C-N 3.3Å; L665-N667 PolarHBondContact O-N 2.85Å; N667-F669 PolarHBondContact O-N 2.96Å; N667-S670 VanDerWaalsContact O-CB 3.26Å; N667-S670 WeakPolarHBondContact O-CB 3.14Å; N667-S670 PolarHBondContact O-N 2.73Å; N667-S670 PolarHBondContact O-OG 3.29Å
668S96.6Very high95.9Very high2 Ų225.9 Ų25.91%0.01413%0.129CC..Hα-helixtrans-60.2-26.8173.8-66.10000113.1V623 N629 T664 L665 C666 S670 G671 G674V623-S668 WeakPolarHBondContact CG2-OG 3.25Å; N629-S668 PolarHBondContact ND2-O 3.27Å; N629-S668 VanDerWaalsContact ND2-O 3.08Å; T664-S668 PolarHBondContact O-N 3.3Å; T664-S668 PolarHBondContact O-OG 3.03Å; L665-S668 PolarHBondContact O-N 3.09Å; C666-S668 PolarHBondContact O-N 3.24Å; S668-S670 PolarHBondContact O-N 3.4Å; S668-G671 PolarHBondContact O-N 3.5Å; S668-G674 CarbonylContact O-C 3.58Å; S668-G674 WeakPolarHBondContact O-CA 3.44Å
669F94.5Very high95.7Very high1 Ų127.9 Ų27.90%0.00414%0.141CC..THydrogen-bonded Turntrans-62.7-9172.5-75.2-93.3000114.2L665 C666 N667 G671 R675 L678 L707 N710 Y711 C714L665-F669 WeakPolarHBondContact O-CD2 3.1Å; C666-F669 WeakPolarHBondContact O-CB 3.37Å; C666-F669 PolarHBondContact O-N 2.87Å; N667-F669 PolarHBondContact O-N 2.96Å; F669-G671 VanDerWaalsContact C-N 3.26Å; F669-G671 PolarHBondContact O-N 3.45Å; F669-R675 HydrophobicContact CB-CG 4.41Å; F669-R675 HydrophobicContact CD1-CG 4.05Å; F669-R675 PolarHBondContact O-NE 3.33Å; F669-R675 PolarHBondContact O-NH2 3.08Å; F669-L678 HydrophobicContact CD2-CD1 3.62Å; F669-L678 HydrophobicContact CE2-CB 4.29Å; F669-L678 HydrophobicContact CE2-CD1 3.38Å; F669-L678 HydrophobicContact CE2-CG 4.47Å; F669-L678 HydrophobicContact CG-CD1 4.45Å; F669-L678 HydrophobicContact CZ-CB 4.11Å; F669-L678 HydrophobicContact CZ-CD1 4.04Å; F669-L707 HydrophobicContact CE2-CD1 3.77Å; F669-N710 HydrophobicContact CB-CB 4.45Å; F669-N710 HydrophobicContact CD1-CB 3.9Å; F669-N710 HydrophobicContact CD2-CB 3.66Å; F669-N710 HydrophobicContact CE1-CB 3.97Å; F669-N710 HydrophobicContact CE2-CB 3.72Å; F669-N710 HydrophobicContact CG-CB 3.76Å; F669-N710 HydrophobicContact CZ-CB 3.88Å; F669-Y711 HydrophobicContact CE1-CD1 4.37Å; F669-Y711 HydrophobicContact CE2-CE2 4.45Å; F669-Y711 AromaticContact CZ-CD1 3.86Å; F669-Y711 HydrophobicContact CZ-CD1 3.86Å; F669-Y711 HydrophobicContact CZ-CD2 4.01Å; F669-Y711 AromaticContact CZ-CE1 3.93Å; F669-Y711 HydrophobicContact CZ-CE1 3.93Å; F669-Y711 HydrophobicContact CZ-CE2 4.06Å; F669-Y711 AromaticContact CZ-CG 3.93Å; F669-Y711 HydrophobicContact CZ-CG 3.93Å; F669-C714 HydrophobicContact CE1-CB 4.42Å
670S92.3Very high95.5Very high51 Ų5130.8 Ų30.836%0.35716%0.163SC..THydrogen-bonded Turntrans-66.7-26.2174.8-47.40000112.9T542 N667 S668T542-S670 WeakPolarHBondContact CG2-OG 3.45Å; N667-S670 VanDerWaalsContact O-CB 3.26Å; N667-S670 WeakPolarHBondContact O-CB 3.14Å; N667-S670 PolarHBondContact O-N 2.73Å; N667-S670 PolarHBondContact O-OG 3.29Å; S668-S670 PolarHBondContact O-N 3.4Å
671G90.6Very high95.3Very high15 Ų1532.6 Ų32.616%0.15517%0.171CC..SBendtrans-124.5159.2-175.400000114N629 S668 F669 H673 G674 R675N629-G671 VanDerWaalsContact OD1-C 3.31Å; N629-G671 VanDerWaalsContact OD1-CA 3.32Å; N629-G671 WeakPolarHBondContact OD1-CA 3.36Å; S668-G671 PolarHBondContact O-N 3.5Å; F669-G671 VanDerWaalsContact C-N 3.26Å; F669-G671 PolarHBondContact O-N 3.45Å; G671-H673 PolarHBondContact O-N 3.4Å; G671-G674 PolarHBondContact O-N 2.95Å; G671-R675 WeakPolarHBondContact O-CG 3.28Å; G671-R675 PolarHBondContact O-N 2.79Å
672R92.7Very high95.1Very high177 Ų17734.1 Ų34.167%0.66818%0.177SC*.Hα-helixtrans-61.1-40.4-173.873.8-179-176.5-148.7-10.6113.3E630 R675 A676E630-R672 IonicContact OE1-CZ 3.67Å; E630-R672 IonicContact OE1-NH2 2.83Å; E630-R672 PolarHBondContact OE1-NH2 3.06Å; R672-R675 PolarHBondContact O-N 2.69Å; R672-A676 WeakPolarHBondContact O-CB 3.49Å; R672-A676 PolarHBondContact O-N 3.33Å
673H95.2Very high94.6Very high44 Ų4438.8 Ų38.820%0.20420%0.199CC..Hα-helixtrans-72.9-43.5-177.1-51.4104.8000110.5N629 E630 C633 G671 R675 A676 L677N629-H673 PolarHBondContact OD1-N 2.88Å; E630-H673 VanDerWaalsContact CA-ND1 3.32Å; E630-H673 WeakPolarHBondContact CA-ND1 3.08Å; E630-H673 VanDerWaalsContact CG-CE1 3.4Å; E630-H673 WeakPolarHBondContact CG-CE1 3.18Å; E630-H673 IonicContact OE1-CE1 3.92Å; E630-H673 PolarHBondContact OE1-CE1 3.46Å; E630-H673 IonicContact OE1-NE2 3.53Å; C633-H673 HydrophobicContact CB-CB 4.09Å; G671-H673 PolarHBondContact O-N 3.4Å; H673-R675 VanDerWaalsContact C-N 3.34Å; H673-R675 PolarHBondContact O-N 3.04Å; H673-A676 PolarHBondContact O-N 3.35Å; H673-L677 VanDerWaalsContact O-CB 3.24Å; H673-L677 WeakPolarHBondContact O-CB 3.17Å; H673-L677 PolarHBondContact O-N 3.09Å
674G95.4Very high94.3Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-59.8-39.4172.600000113.5N629 S668 G671 L678N629-G674 PolarHBondContact OD1-N 3.31Å; S668-G674 CarbonylContact O-C 3.58Å; S668-G674 WeakPolarHBondContact O-CA 3.44Å; G671-G674 PolarHBondContact O-N 2.95Å; G674-L678 WeakPolarHBondContact O-CB 3.38Å; G674-L678 VanDerWaalsContact O-CG 3.23Å; G674-L678 WeakPolarHBondContact O-CG 3.47Å; G674-L678 PolarHBondContact O-N 2.63Å
675R93.4Very high94.2Very high95 Ų9538.4 Ų38.436%0.35821%0.207SC..Hα-helixtrans-62-49.9171-70.5-174.2-171.9-158.11.1112.1F669 G671 R672 H673 L677 L678 V679F669-R675 HydrophobicContact CB-CG 4.41Å; F669-R675 HydrophobicContact CD1-CG 4.05Å; F669-R675 PolarHBondContact O-NE 3.33Å; F669-R675 PolarHBondContact O-NH2 3.08Å; G671-R675 WeakPolarHBondContact O-CG 3.28Å; G671-R675 PolarHBondContact O-N 2.79Å; R672-R675 PolarHBondContact O-N 2.69Å; H673-R675 VanDerWaalsContact C-N 3.34Å; H673-R675 PolarHBondContact O-N 3.04Å; R675-L677 PolarHBondContact O-N 3.11Å; R675-L678 PolarHBondContact O-N 2.99Å; R675-V679 VanDerWaalsContact O-CG2 3.31Å; R675-V679 WeakPolarHBondContact O-CG2 3.26Å; R675-V679 PolarHBondContact O-N 3.47Å
676A93.8Very high93.9Very high63 Ų6338.5 Ų38.552%0.52121%0.207SC..Hα-helixtrans-61.5-44.8-178.900000112.4R672 H673 V679 S680R672-A676 WeakPolarHBondContact O-CB 3.49Å; R672-A676 PolarHBondContact O-N 3.33Å; H673-A676 PolarHBondContact O-N 3.35Å; A676-V679 PolarHBondContact O-N 2.92Å; A676-S680 PolarHBondContact O-N 2.8Å; A676-S680 PolarHBondContact O-OG 3.22Å
677L95.5Very high93.5Very high8 Ų841.7 Ų41.74%0.04223%0.23CC..Hα-helixtrans-59.1-47.7174.7172.163.9000112.2C633 G638 V639 C642 H673 R675 V679 S680 Q681C633-L677 HydrophobicContact CB-CB 4.46Å; C633-L677 HydrophobicContact CB-CD2 3.68Å; G638-L677 VanDerWaalsContact CA-CD2 3.49Å; G638-L677 WeakPolarHBondContact O-CD1 3.2Å; G638-L677 WeakPolarHBondContact O-CD2 3.45Å; V639-L677 HydrophobicContact CG2-CD1 4.48Å; C642-L677 VanDerWaalsContact SG-CG 3.58Å; H673-L677 VanDerWaalsContact O-CB 3.24Å; H673-L677 WeakPolarHBondContact O-CB 3.17Å; H673-L677 PolarHBondContact O-N 3.09Å; R675-L677 PolarHBondContact O-N 3.11Å; L677-V679 VanDerWaalsContact C-N 3.32Å; L677-V679 PolarHBondContact O-N 2.98Å; L677-S680 PolarHBondContact O-N 3.13Å; L677-S680 PolarHBondContact O-OG 2.93Å; L677-Q681 HydrophobicContact CD1-CG 3.88Å; L677-Q681 WeakPolarHBondContact O-CB 3.47Å; L677-Q681 WeakPolarHBondContact O-CG 3.44Å; L677-Q681 PolarHBondContact O-N 2.92Å
678L95.3Very high93.3Very high1 Ų145.8 Ų45.81%0.00525%0.245CC..Hα-helixtrans-72.6-28.4-177.3-69.5179.6000112.3L665 F669 G674 R675 R682 V685 Y711L665-L678 HydrophobicContact CD2-CD2 3.63Å; L665-L678 WeakPolarHBondContact O-CD1 3.47Å; F669-L678 HydrophobicContact CD2-CD1 3.62Å; F669-L678 HydrophobicContact CE2-CB 4.29Å; F669-L678 HydrophobicContact CE2-CD1 3.38Å; F669-L678 HydrophobicContact CE2-CG 4.47Å; F669-L678 HydrophobicContact CG-CD1 4.45Å; F669-L678 HydrophobicContact CZ-CB 4.11Å; F669-L678 HydrophobicContact CZ-CD1 4.04Å; G674-L678 WeakPolarHBondContact O-CB 3.38Å; G674-L678 VanDerWaalsContact O-CG 3.23Å; G674-L678 WeakPolarHBondContact O-CG 3.47Å; G674-L678 PolarHBondContact O-N 2.63Å; R675-L678 PolarHBondContact O-N 2.99Å; L678-R682 VanDerWaalsContact O-CA 3.23Å; L678-R682 WeakPolarHBondContact O-CA 3.24Å; L678-R682 PolarHBondContact O-N 2.75Å; L678-V685 HydrophobicContact CD2-CG2 4.08Å; L678-Y711 HydrophobicContact CB-CE1 4.31Å; L678-Y711 WeakPolarHBondContact O-CE1 3.43Å; L678-Y711 PolarHBondContact O-OH 3.33Å
679V93.4Very high93.1Very high43 Ų4345.7 Ų45.726%0.26125%0.245SC..Hα-helixtrans-68.6-41.7168.8171.40000111.2R675 A676 L677 R682 F715R675-V679 VanDerWaalsContact O-CG2 3.31Å; R675-V679 WeakPolarHBondContact O-CG2 3.26Å; R675-V679 PolarHBondContact O-N 3.47Å; A676-V679 PolarHBondContact O-N 2.92Å; L677-V679 VanDerWaalsContact C-N 3.32Å; L677-V679 PolarHBondContact O-N 2.98Å; V679-R682 WeakPolarHBondContact O-CB 3.35Å; V679-R682 PolarHBondContact O-N 3.24Å; V679-F715 HydrophobicContact CG1-CE1 4.1Å; V679-F715 HydrophobicContact CG1-CZ 4.38Å; V679-F715 HydrophobicContact CG2-CE1 4.06Å; V679-F715 HydrophobicContact CG2-CZ 4.04Å
680S92.4Very high92.8Very high82 Ų8245.7 Ų45.757%0.57325%0.245SC*.Hα-helixtrans-72.7-30.5178.772.50000113.5A676 L677A676-S680 PolarHBondContact O-N 2.8Å; A676-S680 PolarHBondContact O-OG 3.22Å; L677-S680 PolarHBondContact O-N 3.13Å; L677-S680 PolarHBondContact O-OG 2.93Å
681Q94.2Very high92.6Very high48 Ų4845.4 Ų45.422%0.22424%0.239CC..THydrogen-bonded Turntrans-97.213.7175.6-60.2-58.6-56.400113.4C642 L677 E683 A684 V685C642-Q681 HydrophobicContact CB-CG 4.33Å; L677-Q681 HydrophobicContact CD1-CG 3.88Å; L677-Q681 WeakPolarHBondContact O-CB 3.47Å; L677-Q681 WeakPolarHBondContact O-CG 3.44Å; L677-Q681 PolarHBondContact O-N 2.92Å; Q681-E683 PolarHBondContact O-N 3.04Å; Q681-E683 VanDerWaalsContact O-N 3.09Å; Q681-A684 PolarHBondContact O-N 3.08Å; Q681-V685 HydrophobicContact CB-CG2 4.15Å; Q681-V685 WeakPolarHBondContact O-CG2 3.03Å; Q681-V685 PolarHBondContact O-N 3.49Å; Q681-V685 VanDerWaalsContact O-N 3.08Å
682R93.4Very high92.6Very high32 Ų3244.7 Ų44.712%0.12123%0.232CC..Hα-helixtrans-44.8-46.9-173.2174.6177.380.9-148.521.2113.5L678 V679 L686 Y711 F715 D720 A723L678-R682 VanDerWaalsContact O-CA 3.23Å; L678-R682 WeakPolarHBondContact O-CA 3.24Å; L678-R682 PolarHBondContact O-N 2.75Å; V679-R682 WeakPolarHBondContact O-CB 3.35Å; V679-R682 PolarHBondContact O-N 3.24Å; R682-L686 HydrophobicContact CG-CD1 3.76Å; R682-L686 HydrophobicContact CG-CG 4.45Å; R682-L686 VanDerWaalsContact O-CB 3.25Å; R682-L686 WeakPolarHBondContact O-CB 3.22Å; R682-L686 WeakPolarHBondContact O-CG 2.99Å; R682-L686 PolarHBondContact O-N 3.32Å; R682-Y711 HydrophobicContact CB-CE1 4.18Å; R682-Y711 HydrophobicContact CG-CD1 4.49Å; R682-Y711 HydrophobicContact CG-CE1 4.12Å; R682-F715 VanDerWaalsContact CD-CZ 3.42Å; R682-F715 HydrophobicContact CG-CE2 4.43Å; R682-F715 HydrophobicContact CG-CZ 4.37Å; R682-D720 IonicContact CZ-OD2 3.7Å; R682-D720 IonicContact NH1-OD2 3.47Å; R682-D720 PolarHBondContact NH1-OD2 3.37Å; R682-D720 IonicContact NH2-OD1 3.23Å; R682-D720 PolarHBondContact NH2-OD1 2.95Å; R682-D720 IonicContact NH2-OD2 2.93Å; R682-D720 PolarHBondContact NH2-OD2 3.38Å; R682-A723 VanDerWaalsContact CZ-CB 3.45Å
683E87.5Confident92.4Very high99 Ų9936.4 Ų36.446%0.46320%0.201SC..Hα-helixtrans-67.7-51.8-173.2-172.9147.8164.600113.2K142 Q681 V685 S687 Q726K142-E683 WeakPolarHBondContact CE-OE1 3.26Å; K142-E683 WeakPolarHBondContact CE-OE2 3.3Å; K142-E683 IonicContact NZ-OE1 2.79Å; K142-E683 IonicContact NZ-OE2 3.21Å; K142-E683 PolarHBondContact NZ-OE2 3.26Å; Q681-E683 PolarHBondContact O-N 3.04Å; Q681-E683 VanDerWaalsContact O-N 3.09Å; E683-V685 VanDerWaalsContact C-N 3.29Å; E683-V685 PolarHBondContact O-N 2.9Å; E683-S687 WeakPolarHBondContact O-CB 3.43Å; E683-S687 PolarHBondContact O-N 3.25Å; E683-Q726 PolarHBondContact OE2-NE2 3.27Å
684A92.1Very high91.9Very high44 Ų4437.5 Ų37.536%0.36422%0.218SC..Hα-helixtrans-61.5-40.3177.400000111.3L646 Q681 R688L646-A684 HydrophobicContact CD1-CB 3.93Å; Q681-A684 PolarHBondContact O-N 3.08Å; A684-R688 VanDerWaalsContact O-CB 3.32Å; A684-R688 WeakPolarHBondContact O-CB 3.28Å; A684-R688 PolarHBondContact O-N 3.46Å; A684-R688 VanDerWaalsContact O-N 3.16Å
685V96Very high91.4Very high0 Ų038.6 Ų38.60%023%0.225CC..Hα-helixtrans-67.9-53.3179.7173.90000112.2L646 L665 L678 Q681 E683 A689 L707 Y711L646-V685 HydrophobicContact CD2-CG2 4.3Å; L665-V685 HydrophobicContact CD1-CG1 4.11Å; L678-V685 HydrophobicContact CD2-CG2 4.08Å; Q681-V685 HydrophobicContact CB-CG2 4.15Å; Q681-V685 WeakPolarHBondContact O-CG2 3.03Å; Q681-V685 PolarHBondContact O-N 3.49Å; Q681-V685 VanDerWaalsContact O-N 3.08Å; E683-V685 VanDerWaalsContact C-N 3.29Å; E683-V685 PolarHBondContact O-N 2.9Å; V685-A689 WeakPolarHBondContact O-CB 3.4Å; V685-A689 PolarHBondContact O-N 3.09Å; V685-L707 HydrophobicContact CG1-CD2 3.93Å; V685-Y711 WeakPolarHBondContact CB-OH 3.1Å; V685-Y711 HydrophobicContact CG1-CE2 3.94Å; V685-Y711 WeakPolarHBondContact CG1-OH 3.49Å
686L93.2Very high90.9Very high3 Ų342.9 Ų42.92%0.01625%0.246CC..Hα-helixtrans-66.3-39-179.1-78179.1000112.3R682 A690 V708 Y711 Q726 V730R682-L686 HydrophobicContact CG-CD1 3.76Å; R682-L686 HydrophobicContact CG-CG 4.45Å; R682-L686 VanDerWaalsContact O-CB 3.25Å; R682-L686 WeakPolarHBondContact O-CB 3.22Å; R682-L686 WeakPolarHBondContact O-CG 2.99Å; R682-L686 PolarHBondContact O-N 3.32Å; L686-A690 WeakPolarHBondContact O-CB 3.14Å; L686-A690 PolarHBondContact O-N 3.33Å; L686-V708 HydrophobicContact CD2-CG2 4.32Å; L686-Y711 HydrophobicContact CD1-CD2 4.33Å; L686-Y711 HydrophobicContact CD1-CG 4.41Å; L686-Y711 HydrophobicContact CD2-CD2 3.49Å; L686-Y711 VanDerWaalsContact CD2-CD2 3.49Å; L686-Y711 HydrophobicContact CD2-CE2 3.77Å; L686-Y711 HydrophobicContact CD2-CG 4.26Å; L686-Y711 HydrophobicContact CG-CD2 3.92Å; L686-Y711 HydrophobicContact CG-CE2 3.86Å; L686-Y711 HydrophobicContact CG-CG 4.48Å; L686-Q726 HydrophobicContact CD1-CB 4.16Å; L686-V730 HydrophobicContact CB-CG2 4.24Å
687S88.3Confident90.8Very high68 Ų6841.9 Ų41.948%0.47623%0.232SC..Hα-helixtrans-59.7-55.3176.4-177.40000111.2E683 A689 A690 D691E683-S687 WeakPolarHBondContact O-CB 3.43Å; E683-S687 PolarHBondContact O-N 3.25Å; S687-A689 PolarHBondContact O-N 3.24Å; S687-A690 PolarHBondContact O-N 2.97Å; S687-D691 PolarHBondContact O-N 3.4Å
688R92.7Very high90.7Very high86 Ų8647.6 Ų47.633%0.32526%0.257SS..Hα-helixtrans-63.9-39.2179.3-1796171.5-142.86.3112.8L646 M649 A684 A690 D691L646-R688 HydrophobicContact CD2-CB 3.65Å; L646-R688 HydrophobicContact CD2-CG 3.82Å; M649-R688 HydrophobicContact CB-CG 3.64Å; M649-R688 HydrophobicContact CE-CG 4.08Å; M649-R688 WeakPolarHBondContact O-CD 3.28Å; A684-R688 VanDerWaalsContact O-CB 3.32Å; A684-R688 WeakPolarHBondContact O-CB 3.28Å; A684-R688 PolarHBondContact O-N 3.46Å; A684-R688 VanDerWaalsContact O-N 3.16Å; R688-A690 VanDerWaalsContact C-N 3.31Å; R688-A690 PolarHBondContact O-N 3.28Å; R688-D691 IonicContact NH1-OD2 2.75Å; R688-D691 PolarHBondContact NH1-OD2 2.94Å; R688-D691 PolarHBondContact O-N 2.94Å
689A92.7Very high90.7Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-63.5-40.1177.100000111.2M649 L662 V685 S687 D691 L692 L704 L707M649-A689 HydrophobicContact CE-CB 3.94Å; L662-A689 HydrophobicContact CD2-CB 4.03Å; V685-A689 WeakPolarHBondContact O-CB 3.4Å; V685-A689 PolarHBondContact O-N 3.09Å; S687-A689 PolarHBondContact O-N 3.24Å; A689-D691 VanDerWaalsContact C-N 3.29Å; A689-D691 PolarHBondContact O-N 2.95Å; A689-L692 WeakPolarHBondContact O-CB 3.17Å; A689-L692 PolarHBondContact O-N 2.87Å; A689-L692 VanDerWaalsContact O-N 3.12Å; A689-L704 HydrophobicContact CB-CD1 3.69Å; A689-L704 VanDerWaalsContact O-CD1 3.27Å; A689-L704 WeakPolarHBondContact O-CD1 3.42Å; A689-L707 HydrophobicContact CB-CD2 3.77Å
690A88.6Confident90.8Very high1 Ų148.5 Ų48.51%0.00826%0.26CS..Hα-helixtrans-67.9-24.7179.200000113.5L686 S687 R688 L692 A693 V730 R733L686-A690 WeakPolarHBondContact O-CB 3.14Å; L686-A690 PolarHBondContact O-N 3.33Å; S687-A690 PolarHBondContact O-N 2.97Å; R688-A690 VanDerWaalsContact C-N 3.31Å; R688-A690 PolarHBondContact O-N 3.28Å; A690-L692 VanDerWaalsContact C-N 3.28Å; A690-L692 PolarHBondContact O-N 2.85Å; A690-A693 VanDerWaalsContact O-CB 3.22Å; A690-A693 WeakPolarHBondContact O-CB 3.4Å; A690-A693 PolarHBondContact O-N 2.92Å; A690-V730 HydrophobicContact CB-CB 4.35Å; A690-V730 HydrophobicContact CB-CG1 3.71Å; A690-V730 HydrophobicContact CB-CG2 3.9Å; A690-R733 VanDerWaalsContact C-NH2 3.27Å
691D88.1Confident90.9Very high44 Ų4445.1 Ų45.124%0.23524%0.235CC..Hα-helixtrans-66.4-31.1171.3-61.4-21.8000112.3P651 S687 R688 A689 A693 A694 R733P651-D691 HydrophobicContact CG-CB 3.93Å; S687-D691 PolarHBondContact O-N 3.4Å; R688-D691 IonicContact NH1-OD2 2.75Å; R688-D691 PolarHBondContact NH1-OD2 2.94Å; R688-D691 PolarHBondContact O-N 2.94Å; A689-D691 VanDerWaalsContact C-N 3.29Å; A689-D691 PolarHBondContact O-N 2.95Å; D691-A693 PolarHBondContact O-N 2.82Å; D691-A694 PolarHBondContact O-N 2.7Å; D691-R733 IonicContact OD1-CZ 2.86Å; D691-R733 IonicContact OD1-NH1 3.74Å; D691-R733 IonicContact OD1-NH2 2.64Å; D691-R733 PolarHBondContact OD1-NH2 2.9Å
692L90.8Very high91Very high0 Ų044.2 Ų44.20%023%0.231CC..G310 helixtrans-71.2-6.1176.3-65177.6000113.4M649 Q658 L662 A689 A690 A694 V695 I700M649-L692 HydrophobicContact CB-CD1 3.96Å; M649-L692 HydrophobicContact CE-CD1 4.1Å; M649-L692 HydrophobicContact CG-CD1 4.06Å; M649-L692 WeakPolarHBondContact O-CD2 3.45Å; Q658-L692 HydrophobicContact CB-CD1 4.27Å; Q658-L692 HydrophobicContact CB-CD2 4.42Å; Q658-L692 HydrophobicContact CG-CD2 4.01Å; L662-L692 HydrophobicContact CD1-CD1 3.7Å; L662-L692 HydrophobicContact CD2-CD1 4.49Å; L662-L692 HydrophobicContact CG-CD1 4.06Å; A689-L692 WeakPolarHBondContact O-CB 3.17Å; A689-L692 PolarHBondContact O-N 2.87Å; A689-L692 VanDerWaalsContact O-N 3.12Å; A690-L692 VanDerWaalsContact C-N 3.28Å; A690-L692 PolarHBondContact O-N 2.85Å; L692-A694 PolarHBondContact O-N 2.71Å; L692-V695 HydrophobicContact CD2-CG2 3.77Å; L692-V695 PolarHBondContact O-N 3.13Å; L692-V695 VanDerWaalsContact O-N 3.14Å; L692-I700 HydrophobicContact CB-CG2 3.9Å; L692-I700 HydrophobicContact CD1-CG2 4.39Å
693A87.6Confident91.2Very high4 Ų442.7 Ų42.73%0.03323%0.225CC..G310 helixtrans-64.6-19.317000000112.9A690 D691 H701 L704 A734 T737A690-A693 VanDerWaalsContact O-CB 3.22Å; A690-A693 WeakPolarHBondContact O-CB 3.4Å; A690-A693 PolarHBondContact O-N 2.92Å; D691-A693 PolarHBondContact O-N 2.82Å; A693-H701 PolarHBondContact O-NE2 2.84Å; A693-L704 HydrophobicContact CB-CD2 3.81Å; A693-A734 HydrophobicContact CB-CB 4.33Å; A693-T737 VanDerWaalsContact O-CB 3.27Å; A693-T737 WeakPolarHBondContact O-CB 3.31Å; A693-T737 PolarHBondContact O-OG1 3.1Å
694A84.9Confident91.7Very high67 Ų6738 Ų3855%0.55420%0.204SC*.G310 helixtrans-85.7-10.6174.800000113.4D691 L692 F696D691-A694 PolarHBondContact O-N 2.7Å; L692-A694 PolarHBondContact O-N 2.71Å; A694-F696 PolarHBondContact O-N 2.93Å
695V85.9Confident91.9Very high23 Ų2335.9 Ų35.914%0.13919%0.186CC..SBendtrans-86.8108.2-176.7178.40000109.4P651 L692 N697 I700 H701P651-V695 HydrophobicContact CB-CG2 4.34Å; L692-V695 HydrophobicContact CD2-CG2 3.77Å; L692-V695 PolarHBondContact O-N 3.13Å; L692-V695 VanDerWaalsContact O-N 3.14Å; V695-N697 HydrophobicContact CG1-CB 4.46Å; V695-N697 PolarHBondContact O-N 3.42Å; V695-I700 HydrophobicContact CG1-CD1 4Å; V695-H701 PolarHBondContact O-NE2 3.21Å
696F83.3Confident92Very high185 Ų18535.9 Ų35.981%0.81119%0.186SC*.  trans-63.869-175.7-64.3-80.1000114.9A694A694-F696 PolarHBondContact O-N 2.93Å
697N91.4Very high92.2Very high41 Ų4135.8 Ų35.822%0.21919%0.186CC..  trans-145.1110.6-179.8-178.1-23.6000110.7V695 N699 I700 H701V695-N697 HydrophobicContact CG1-CB 4.46Å; V695-N697 PolarHBondContact O-N 3.42Å; N697-N699 PolarHBondContact O-N 3.42Å; N697-N699 VanDerWaalsContact O-N 3.11Å; N697-N699 PolarHBondContact OD1-N 3.36Å; N697-I700 HydrophobicContact CB-CB 4.17Å; N697-I700 HydrophobicContact CB-CD1 3.98Å; N697-I700 HydrophobicContact CB-CG1 4.13Å; N697-I700 WeakPolarHBondContact O-CB 3.49Å; N697-I700 PolarHBondContact O-N 2.94Å; N697-H701 PolarHBondContact O-N 3.34Å
698K93.7Very high92.6Very high129 Ų12932.5 Ų32.556%0.56116%0.163SC*.Hα-helixtrans-53.3-35.1-178.468.3179-173.6177.20114.4H701 I702 D740K698-H701 PolarHBondContact O-N 3.38Å; K698-I702 VanDerWaalsContact O-CG1 3.25Å; K698-I702 WeakPolarHBondContact O-CG1 3.46Å; K698-I702 PolarHBondContact O-N 2.75Å; K698-D740 HydrophobicContact CB-CB 4.06Å
699N94.1Very high92.8Very high63 Ų6328.8 Ų28.834%0.33715%0.15SC..Hα-helixtrans-72.5-36.2-177.9-66.7-24.8000111.2L659 N697 A703L659-N699 HydrophobicContact CD1-CB 3.85Å; L659-N699 VanDerWaalsContact CD1-O 3.26Å; L659-N699 WeakPolarHBondContact CD1-O 3.29Å; L659-N699 HydrophobicContact CD2-CB 3.75Å; L659-N699 HydrophobicContact CG-CB 4.46Å; N697-N699 PolarHBondContact O-N 3.42Å; N697-N699 VanDerWaalsContact O-N 3.11Å; N697-N699 PolarHBondContact OD1-N 3.36Å; N699-A703 WeakPolarHBondContact O-CB 3.44Å; N699-A703 PolarHBondContact O-N 3.47Å
700I95.5Very high93Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-66-45.6173.6-69.3178.8000109.2P655 Q658 L659 L662 L692 V695 N697 I702 A703 L704P655-I700 HydrophobicContact CB-CD1 4.15Å; Q658-I700 HydrophobicContact CB-CD1 3.82Å; L659-I700 HydrophobicContact CB-CG1 3.98Å; L659-I700 HydrophobicContact CD1-CG1 4.45Å; L662-I700 HydrophobicContact CD1-CG2 3.82Å; L692-I700 HydrophobicContact CB-CG2 3.9Å; L692-I700 HydrophobicContact CD1-CG2 4.39Å; V695-I700 HydrophobicContact CG1-CD1 4Å; N697-I700 HydrophobicContact CB-CB 4.17Å; N697-I700 HydrophobicContact CB-CD1 3.98Å; N697-I700 HydrophobicContact CB-CG1 4.13Å; N697-I700 WeakPolarHBondContact O-CB 3.49Å; N697-I700 PolarHBondContact O-N 2.94Å; I700-I702 PolarHBondContact O-N 2.98Å; I700-A703 PolarHBondContact O-N 3.04Å; I700-A703 VanDerWaalsContact O-N 3.14Å; I700-L704 WeakPolarHBondContact O-CB 3.05Å; I700-L704 PolarHBondContact O-N 3.21Å
701H95.6Very high93.4Very high10 Ų1028.9 Ų28.95%0.04615%0.15CC..Hα-helixtrans-59.5-41.5175.9-65.4175.1000113.2A693 V695 N697 K698 A705 V738 A743A693-H701 PolarHBondContact O-NE2 2.84Å; V695-H701 PolarHBondContact O-NE2 3.21Å; N697-H701 PolarHBondContact O-N 3.34Å; K698-H701 PolarHBondContact O-N 3.38Å; H701-A705 VanDerWaalsContact O-CB 3.27Å; H701-A705 WeakPolarHBondContact O-CB 3.48Å; H701-A705 PolarHBondContact O-N 3.02Å; H701-V738 HydrophobicContact CB-CG1 3.91Å; H701-V738 HydrophobicContact CB-CG2 4.03Å; H701-A743 HydrophobicContact CB-CB 3.94Å
702I96.2Very high93.8Very high29 Ų2926.9 Ų26.915%0.14914%0.139CC..Hα-helixtrans-65-40.1175.2-67.9164.4000110.9F543 K698 I700 T706 E742 A743F543-I702 HydrophobicContact CE1-CG2 4.19Å; F543-I702 HydrophobicContact CZ-CG2 4.2Å; K698-I702 VanDerWaalsContact O-CG1 3.25Å; K698-I702 WeakPolarHBondContact O-CG1 3.46Å; K698-I702 PolarHBondContact O-N 2.75Å; I700-I702 PolarHBondContact O-N 2.98Å; I702-T706 WeakPolarHBondContact O-CB 3.29Å; I702-T706 PolarHBondContact O-N 3.33Å; I702-T706 PolarHBondContact O-OG1 3.4Å; I702-E742 HydrophobicContact CD1-CB 4.33Å; I702-E742 HydrophobicContact CD1-CG 4.38Å; I702-E742 HydrophobicContact CG1-CB 4.4Å; I702-E742 HydrophobicContact CG1-CG 4.37Å; I702-A743 HydrophobicContact CG1-CB 3.95Å
703A97Very high94Very high0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-68-44.1177.500000112.2F543 L659 L662 R663 C666 N699 I700 T706 L707F543-A703 HydrophobicContact CE2-CB 4.23Å; F543-A703 HydrophobicContact CZ-CB 4.11Å; L659-A703 HydrophobicContact CD1-CB 4.02Å; L662-A703 HydrophobicContact CB-CB 3.75Å; L662-A703 HydrophobicContact CD1-CB 4.11Å; R663-A703 HydrophobicContact CG-CB 4.3Å; C666-A703 PolarHBondContact SG-O 3.4Å; C666-A703 VanDerWaalsContact SG-O 3.41Å; N699-A703 WeakPolarHBondContact O-CB 3.44Å; N699-A703 PolarHBondContact O-N 3.47Å; I700-A703 PolarHBondContact O-N 3.04Å; I700-A703 VanDerWaalsContact O-N 3.14Å; A703-T706 PolarHBondContact O-N 3.32Å; A703-L707 PolarHBondContact O-N 3Å
704L97Very high94.2Very high1 Ų128.1 Ų28.11%0.00515%0.149CC..Hα-helixtrans-55.3-52.5171.1170.558.5000111.6L662 A689 A693 I700 T706 L707 V708 A734L662-L704 HydrophobicContact CD1-CB 4.5Å; A689-L704 HydrophobicContact CB-CD1 3.69Å; A689-L704 VanDerWaalsContact O-CD1 3.27Å; A689-L704 WeakPolarHBondContact O-CD1 3.42Å; A693-L704 HydrophobicContact CB-CD2 3.81Å; I700-L704 WeakPolarHBondContact O-CB 3.05Å; I700-L704 PolarHBondContact O-N 3.21Å; L704-T706 PolarHBondContact O-N 2.7Å; L704-L707 WeakPolarHBondContact O-CB 3.41Å; L704-L707 PolarHBondContact O-N 3.33Å; L704-L707 VanDerWaalsContact O-N 3.09Å; L704-V708 HydrophobicContact CD1-CG2 4.15Å; L704-V708 WeakPolarHBondContact O-CG2 3.47Å; L704-V708 PolarHBondContact O-N 3.42Å; L704-A734 HydrophobicContact CD2-CB 4.25Å
705A97.4Very high94.5Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-60.7-34179.400000112.9H701 L709 A743 R746 L747H701-A705 VanDerWaalsContact O-CB 3.27Å; H701-A705 WeakPolarHBondContact O-CB 3.48Å; H701-A705 PolarHBondContact O-N 3.02Å; A705-L709 WeakPolarHBondContact O-CB 3.23Å; A705-L709 PolarHBondContact O-N 3.16Å; A705-L709 VanDerWaalsContact O-N 3.08Å; A705-A743 HydrophobicContact CB-CB 4.21Å; A705-A743 WeakPolarHBondContact CB-O 3.39Å; A705-R746 HydrophobicContact CB-CB 3.7Å; A705-L747 HydrophobicContact CB-CD1 4.38Å; A705-L747 HydrophobicContact CB-CD2 3.85Å; A705-L747 HydrophobicContact CB-CG 3.67Å
706T97.6Very high94.6Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-71.1-38.5175.1-53.90000111.7V541 F543 C666 I702 A703 L704 L709 N710 R746V541-T706 HydrophobicContact CB-CG2 3.77Å; V541-T706 HydrophobicContact CG1-CG2 3.72Å; V541-T706 WeakPolarHBondContact O-CG2 3.37Å; F543-T706 HydrophobicContact CE2-CG2 3.74Å; F543-T706 HydrophobicContact CZ-CG2 4.12Å; F543-T706 WeakPolarHBondContact CZ-OG1 3.46Å; C666-T706 HydrophobicContact CB-CG2 4.46Å; I702-T706 WeakPolarHBondContact O-CB 3.29Å; I702-T706 PolarHBondContact O-N 3.33Å; I702-T706 PolarHBondContact O-OG1 3.4Å; A703-T706 PolarHBondContact O-N 3.32Å; L704-T706 PolarHBondContact O-N 2.7Å; T706-L709 PolarHBondContact O-N 3.02Å; T706-N710 VanDerWaalsContact O-CG 3.26Å; T706-N710 PolarHBondContact O-N 3.42Å; T706-N710 PolarHBondContact O-OD1 3.08Å; T706-R746 WeakPolarHBondContact OG1-CD 3.46Å; T706-R746 PolarHBondContact OG1-NH1 3.39Å
707L97.9Very high94.4Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-62.7-46.4176.2-175.659.9000111.4L662 L665 F669 V685 A689 A703 L704 L709 N710 Y711L662-L707 HydrophobicContact CD2-CD2 3.79Å; L665-L707 HydrophobicContact CB-CD1 3.95Å; L665-L707 HydrophobicContact CB-CD2 4.44Å; L665-L707 HydrophobicContact CD1-CD2 4.27Å; F669-L707 HydrophobicContact CE2-CD1 3.77Å; V685-L707 HydrophobicContact CG1-CD2 3.93Å; A689-L707 HydrophobicContact CB-CD2 3.77Å; A703-L707 PolarHBondContact O-N 3Å; L704-L707 WeakPolarHBondContact O-CB 3.41Å; L704-L707 PolarHBondContact O-N 3.33Å; L704-L707 VanDerWaalsContact O-N 3.09Å; L707-L709 VanDerWaalsContact C-N 3.33Å; L707-L709 PolarHBondContact O-N 3.31Å; L707-N710 PolarHBondContact O-N 2.99Å; L707-Y711 HydrophobicContact CD1-CD2 4.27Å; L707-Y711 HydrophobicContact CD1-CE2 3.91Å; L707-Y711 HydrophobicContact CG-CD2 4.21Å; L707-Y711 HydrophobicContact CG-CE2 4.04Å; L707-Y711 VanDerWaalsContact O-CD2 3.29Å; L707-Y711 WeakPolarHBondContact O-CD2 3.49Å; L707-Y711 PolarHBondContact O-N 3.25Å; L707-Y711 VanDerWaalsContact O-N 3.09Å
708V97.1Very high94Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-63.5-39.4177179.90000111.3L686 L704 Y711 A712 V730 A731 L747 A750L686-V708 HydrophobicContact CD2-CG2 4.32Å; L704-V708 HydrophobicContact CD1-CG2 4.15Å; L704-V708 WeakPolarHBondContact O-CG2 3.47Å; L704-V708 PolarHBondContact O-N 3.42Å; V708-Y711 PolarHBondContact O-N 2.97Å; V708-A712 PolarHBondContact O-N 2.91Å; V708-V730 HydrophobicContact CG2-CG1 3.58Å; V708-A731 HydrophobicContact CG1-CB 4Å; V708-L747 HydrophobicContact CB-CD2 4.44Å; V708-A750 HydrophobicContact CG1-CB 4.14Å
709L97.3Very high93.3Very high8 Ų825.7 Ų25.74%0.04214%0.142CC..Hα-helixtrans-61.5-43.2173.3175.757.9000112.6K537 V541 A705 T706 L707 Y711 A712 G713 V749 A750K537-L709 HydrophobicContact CB-CD1 4.12Å; K537-L709 HydrophobicContact CG-CD1 4.32Å; V541-L709 HydrophobicContact CG2-CD2 4Å; A705-L709 WeakPolarHBondContact O-CB 3.23Å; A705-L709 PolarHBondContact O-N 3.16Å; A705-L709 VanDerWaalsContact O-N 3.08Å; T706-L709 PolarHBondContact O-N 3.02Å; L707-L709 VanDerWaalsContact C-N 3.33Å; L707-L709 PolarHBondContact O-N 3.31Å; L709-Y711 VanDerWaalsContact C-N 3.33Å; L709-Y711 PolarHBondContact O-N 3.19Å; L709-A712 PolarHBondContact O-N 2.99Å; L709-G713 PolarHBondContact O-N 3.2Å; L709-V749 HydrophobicContact CD1-CB 4.26Å; L709-V749 HydrophobicContact CD1-CG1 3.66Å; L709-V749 HydrophobicContact CD2-CG1 4.31Å; L709-A750 HydrophobicContact CB-CB 4.04Å; L709-A750 HydrophobicContact CD1-CB 4.16Å
710N97Very high92.8Very high3 Ų324.9 Ų24.92%0.01614%0.138CC..Hα-helixtrans-65-37.9178.7-69.6-0.1000111.8V541 C666 F669 T706 L707 G713 C714V541-N710 PolarHBondContact N-OD1 3.25Å; V541-N710 PolarHBondContact O-ND2 3.09Å; C666-N710 PolarHBondContact O-ND2 3.4Å; F669-N710 HydrophobicContact CB-CB 4.45Å; F669-N710 HydrophobicContact CD1-CB 3.9Å; F669-N710 HydrophobicContact CD2-CB 3.66Å; F669-N710 HydrophobicContact CE1-CB 3.97Å; F669-N710 HydrophobicContact CE2-CB 3.72Å; F669-N710 HydrophobicContact CG-CB 3.76Å; F669-N710 HydrophobicContact CZ-CB 3.88Å; T706-N710 VanDerWaalsContact O-CG 3.26Å; T706-N710 PolarHBondContact O-N 3.42Å; T706-N710 PolarHBondContact O-OD1 3.08Å; L707-N710 PolarHBondContact O-N 2.99Å; N710-G713 PolarHBondContact O-N 3.32Å; N710-C714 PolarHBondContact O-N 3.41Å
711Y96.7Very high92.3Very high0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-63.7-47.6170.7-82.6-65.9000112.4F669 L678 R682 V685 L686 L707 V708 L709 G713 C714 F715F669-Y711 HydrophobicContact CE1-CD1 4.37Å; F669-Y711 HydrophobicContact CE2-CE2 4.45Å; F669-Y711 AromaticContact CZ-CD1 3.86Å; F669-Y711 HydrophobicContact CZ-CD1 3.86Å; F669-Y711 HydrophobicContact CZ-CD2 4.01Å; F669-Y711 AromaticContact CZ-CE1 3.93Å; F669-Y711 HydrophobicContact CZ-CE1 3.93Å; F669-Y711 HydrophobicContact CZ-CE2 4.06Å; F669-Y711 AromaticContact CZ-CG 3.93Å; F669-Y711 HydrophobicContact CZ-CG 3.93Å; L678-Y711 HydrophobicContact CB-CE1 4.31Å; L678-Y711 WeakPolarHBondContact O-CE1 3.43Å; L678-Y711 PolarHBondContact O-OH 3.33Å; R682-Y711 HydrophobicContact CB-CE1 4.18Å; R682-Y711 HydrophobicContact CG-CD1 4.49Å; R682-Y711 HydrophobicContact CG-CE1 4.12Å; V685-Y711 WeakPolarHBondContact CB-OH 3.1Å; V685-Y711 HydrophobicContact CG1-CE2 3.94Å; V685-Y711 WeakPolarHBondContact CG1-OH 3.49Å; L686-Y711 HydrophobicContact CD1-CD2 4.33Å; L686-Y711 HydrophobicContact CD1-CG 4.41Å; L686-Y711 HydrophobicContact CD2-CD2 3.49Å; L686-Y711 VanDerWaalsContact CD2-CD2 3.49Å; L686-Y711 HydrophobicContact CD2-CE2 3.77Å; L686-Y711 HydrophobicContact CD2-CG 4.26Å; L686-Y711 HydrophobicContact CG-CD2 3.92Å; L686-Y711 HydrophobicContact CG-CE2 3.86Å; L686-Y711 HydrophobicContact CG-CG 4.48Å; L707-Y711 HydrophobicContact CD1-CD2 4.27Å; L707-Y711 HydrophobicContact CD1-CE2 3.91Å; L707-Y711 HydrophobicContact CG-CD2 4.21Å; L707-Y711 HydrophobicContact CG-CE2 4.04Å; L707-Y711 VanDerWaalsContact O-CD2 3.29Å; L707-Y711 WeakPolarHBondContact O-CD2 3.49Å; L707-Y711 PolarHBondContact O-N 3.25Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; V708-Y711 PolarHBondContact O-N 2.97Å; L709-Y711 VanDerWaalsContact C-N 3.33Å; L709-Y711 PolarHBondContact O-N 3.19Å; Y711-G713 VanDerWaalsContact C-N 3.28Å; Y711-G713 PolarHBondContact O-N 2.98Å; Y711-C714 WeakPolarHBondContact O-CB 3.21Å; Y711-C714 PolarHBondContact O-N 3.13Å; Y711-C714 VanDerWaalsContact O-N 3.08Å; Y711-F715 AromaticContact CD1-CE2 3.49Å; Y711-F715 HydrophobicContact CD1-CE2 3.49Å; Y711-F715 VanDerWaalsContact CD1-CE2 3.49Å; Y711-F715 AromaticContact CD1-CZ 3.91Å; Y711-F715 HydrophobicContact CD1-CZ 3.91Å; Y711-F715 HydrophobicContact CE1-CE2 4.38Å; Y711-F715 HydrophobicContact CE1-CZ 4.45Å; Y711-F715 HydrophobicContact CG-CE2 4.18Å; Y711-F715 WeakPolarHBondContact O-CD2 3.32Å; Y711-F715 PolarHBondContact O-N 2.99Å
712A95.8Very high91.7Very high1 Ų129.3 Ų29.31%0.00816%0.162CC..Hα-helixtrans-56-43.117600000112V708 L709 F715 H716 A750 T753 T754V708-A712 PolarHBondContact O-N 2.91Å; L709-A712 PolarHBondContact O-N 2.99Å; A712-F715 PolarHBondContact O-N 3.34Å; A712-H716 PolarHBondContact O-N 3.16Å; A712-A750 HydrophobicContact CB-CB 4.21Å; A712-A750 WeakPolarHBondContact CB-O 3.41Å; A712-T753 HydrophobicContact CB-CG2 4.22Å; A712-T754 WeakPolarHBondContact CB-OG1 3.23Å
713G94.4Very high91.3Very high7 Ų728 Ų287%0.07216%0.155CC..Hα-helixtrans-63-38.4174.800000113.8K537 L709 N710 Y711K537-G713 VanDerWaalsContact O-CA 3.24Å; K537-G713 WeakPolarHBondContact O-CA 3.43Å; L709-G713 PolarHBondContact O-N 3.2Å; N710-G713 PolarHBondContact O-N 3.32Å; Y711-G713 VanDerWaalsContact C-N 3.28Å; Y711-G713 PolarHBondContact O-N 2.98Å
714C92.5Very high91Very high24 Ų2428.1 Ų28.116%0.16216%0.156CC..Hα-helixtrans-67.4-36.6174.3-87.40000113.5F669 N710 Y711F669-C714 HydrophobicContact CE1-CB 4.42Å; N710-C714 PolarHBondContact O-N 3.41Å; Y711-C714 WeakPolarHBondContact O-CB 3.21Å; Y711-C714 PolarHBondContact O-N 3.13Å; Y711-C714 VanDerWaalsContact O-N 3.08Å
715F90.8Very high90.5Very high1 Ų128.1 Ų28.10%0.00416%0.156CC..Hα-helixtrans-92-10.6-177.6-57.9-54.3000114.6V679 R682 Y711 A712 I717 Q718 A723 K724V679-F715 HydrophobicContact CG1-CE1 4.1Å; V679-F715 HydrophobicContact CG1-CZ 4.38Å; V679-F715 HydrophobicContact CG2-CE1 4.06Å; V679-F715 HydrophobicContact CG2-CZ 4.04Å; R682-F715 VanDerWaalsContact CD-CZ 3.42Å; R682-F715 HydrophobicContact CG-CE2 4.43Å; R682-F715 HydrophobicContact CG-CZ 4.37Å; Y711-F715 AromaticContact CD1-CE2 3.49Å; Y711-F715 HydrophobicContact CD1-CE2 3.49Å; Y711-F715 VanDerWaalsContact CD1-CE2 3.49Å; Y711-F715 AromaticContact CD1-CZ 3.91Å; Y711-F715 HydrophobicContact CD1-CZ 3.91Å; Y711-F715 HydrophobicContact CE1-CE2 4.38Å; Y711-F715 HydrophobicContact CE1-CZ 4.45Å; Y711-F715 HydrophobicContact CG-CE2 4.18Å; Y711-F715 WeakPolarHBondContact O-CD2 3.32Å; Y711-F715 PolarHBondContact O-N 2.99Å; A712-F715 PolarHBondContact O-N 3.34Å; F715-I717 VanDerWaalsContact C-N 3.3Å; F715-I717 PolarHBondContact O-N 2.79Å; F715-I717 VanDerWaalsContact O-N 3.15Å; F715-Q718 PolarHBondContact O-N 2.96Å; F715-Q718 VanDerWaalsContact O-O 3.12Å; F715-A723 HydrophobicContact CB-CB 4.28Å; F715-A723 HydrophobicContact CD1-CB 3.62Å; F715-A723 HydrophobicContact CD2-CB 3.58Å; F715-A723 HydrophobicContact CE1-CB 3.82Å; F715-A723 HydrophobicContact CE2-CB 3.75Å; F715-A723 HydrophobicContact CG-CB 3.54Å; F715-A723 HydrophobicContact CZ-CB 3.9Å; F715-K724 HydrophobicContact CB-CG 4.36Å; F715-K724 WeakPolarHBondContact O-CE 3.45Å
716H88.8Confident90Very high27 Ų2729.2 Ų29.213%0.12516%0.161CC..THydrogen-bonded Turntrans-45.4-50.6-177.7176.760000113.4P536 T538 A712 K724 T753 A756P536-H716 WeakPolarHBondContact CB-CE1 3.36Å; P536-H716 WeakPolarHBondContact CB-NE2 3.48Å; T538-H716 HydrophobicContact CG2-CB 4.1Å; A712-H716 PolarHBondContact O-N 3.16Å; H716-K724 PolarHBondContact O-NZ 3.11Å; H716-T753 HydrophobicContact CB-CG2 4.17Å; H716-T753 PolarHBondContact ND1-O 2.75Å; H716-A756 PolarHBondContact CE1-O 2.98Å
717I79.6Confident89.7Confident145 Ų14529.2 Ų29.274%0.74416%0.161SC*.THydrogen-bonded Turntrans-88.5-12.2-178-52.7178000112.4F715F715-I717 VanDerWaalsContact C-N 3.3Å; F715-I717 PolarHBondContact O-N 2.79Å; F715-I717 VanDerWaalsContact O-N 3.15Å
718Q82.6Confident89.4Confident85 Ų8529.2 Ų29.240%0.39716%0.161SC..SBendtrans-88.1134.4-176.4-61.5-172.1-0.400111.1F715 D720 K724F715-Q718 PolarHBondContact O-N 2.96Å; F715-Q718 VanDerWaalsContact O-O 3.12Å; Q718-D720 PolarHBondContact O-N 3.44Å; Q718-K724 WeakPolarHBondContact O-CE 3.33Å
719P77.9Confident88.8Confident135 Ų13530.5 Ų30.588%0.87717%0.17SC*.  trans-79.145.1173.935.1-36.6000112
720D85.2Confident88.4Confident47 Ų4730.8 Ų30.825%0.25117%0.172SC..  trans-98.288.8175.2-175.4-19.8000108.8R682 Q718 D722 A723 K724R682-D720 IonicContact CZ-OD2 3.7Å; R682-D720 IonicContact NH1-OD2 3.47Å; R682-D720 PolarHBondContact NH1-OD2 3.37Å; R682-D720 IonicContact NH2-OD1 3.23Å; R682-D720 PolarHBondContact NH2-OD1 2.95Å; R682-D720 IonicContact NH2-OD2 2.93Å; R682-D720 PolarHBondContact NH2-OD2 3.38Å; Q718-D720 PolarHBondContact O-N 3.44Å; D720-D722 VanDerWaalsContact C-N 3.28Å; D720-D722 PolarHBondContact O-N 2.94Å; D720-D722 PolarHBondContact OD1-N 3.05Å; D720-A723 HydrophobicContact CB-CB 3.85Å; D720-A723 PolarHBondContact O-N 3.35Å; D720-A723 WeakPolarHBondContact OD1-CB 3.48Å; D720-A723 PolarHBondContact OD1-N 3.49Å; D720-A723 WeakPolarHBondContact OD2-CB 3.2Å; D720-K724 WeakPolarHBondContact O-CG 3.44Å; D720-K724 PolarHBondContact O-N 2.87Å; D720-K724 VanDerWaalsContact O-N 3.09Å
721L84.1Confident88.3Confident50 Ų5030.7 Ų30.726%0.26217%0.171SC..Hα-helixtrans-63.5-34.2-177.5-170.862.6000111.9K724 A725 T760 L764L721-K724 PolarHBondContact O-N 2.77Å; L721-A725 VanDerWaalsContact O-CB 3.26Å; L721-A725 WeakPolarHBondContact O-CB 3.31Å; L721-A725 PolarHBondContact O-N 3.15Å; L721-T760 HydrophobicContact CD1-CG2 3.85Å; L721-T760 HydrophobicContact CD2-CG2 4.01Å; L721-L764 HydrophobicContact CD1-CB 4.44Å; L721-L764 HydrophobicContact CD1-CD2 3.65Å; L721-L764 HydrophobicContact CG-CD2 4.08Å
722D82.4Confident87.8Confident53 Ų5331.4 Ų31.428%0.28318%0.176SC..Hα-helixtrans-66.1-40.2176.6-77.2-25000111.8N140 D720 A725 Q726N140-D722 PolarHBondContact ND2-OD1 3.49Å; D720-D722 VanDerWaalsContact C-N 3.28Å; D720-D722 PolarHBondContact O-N 2.94Å; D720-D722 PolarHBondContact OD1-N 3.05Å; D722-A725 PolarHBondContact O-N 3.36Å; D722-Q726 WeakPolarHBondContact O-CB 3.33Å; D722-Q726 WeakPolarHBondContact O-CG 3.48Å; D722-Q726 PolarHBondContact O-N 2.93Å
723A87.3Confident87.3Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-64-44.4174.500000111.7R682 F715 D720 Q726 C727R682-A723 VanDerWaalsContact CZ-CB 3.45Å; F715-A723 HydrophobicContact CB-CB 4.28Å; F715-A723 HydrophobicContact CD1-CB 3.62Å; F715-A723 HydrophobicContact CD2-CB 3.58Å; F715-A723 HydrophobicContact CE1-CB 3.82Å; F715-A723 HydrophobicContact CE2-CB 3.75Å; F715-A723 HydrophobicContact CG-CB 3.54Å; F715-A723 HydrophobicContact CZ-CB 3.9Å; D720-A723 HydrophobicContact CB-CB 3.85Å; D720-A723 PolarHBondContact O-N 3.35Å; D720-A723 WeakPolarHBondContact OD1-CB 3.48Å; D720-A723 PolarHBondContact OD1-N 3.49Å; D720-A723 WeakPolarHBondContact OD2-CB 3.2Å; A723-Q726 PolarHBondContact O-N 2.7Å; A723-C727 PolarHBondContact O-N 2.65Å; A723-C727 PolarHBondContact O-SG 3.42Å
724K90.8Very high87Confident4 Ų436.2 Ų36.22%0.01719%0.192CC..Hα-helixtrans-62.5-44.4175.8-67.3-170.6-179-165.90110.4F715 H716 Q718 D720 L721 Q726 C727 L728 T754 D758 A761F715-K724 HydrophobicContact CB-CG 4.36Å; F715-K724 WeakPolarHBondContact O-CE 3.45Å; H716-K724 PolarHBondContact O-NZ 3.11Å; Q718-K724 WeakPolarHBondContact O-CE 3.33Å; D720-K724 WeakPolarHBondContact O-CG 3.44Å; D720-K724 PolarHBondContact O-N 2.87Å; D720-K724 VanDerWaalsContact O-N 3.09Å; L721-K724 PolarHBondContact O-N 2.77Å; K724-Q726 PolarHBondContact O-N 3.04Å; K724-C727 WeakPolarHBondContact O-CB 3.44Å; K724-C727 PolarHBondContact O-N 2.85Å; K724-L728 VanDerWaalsContact O-CG 3.31Å; K724-L728 WeakPolarHBondContact O-CG 3.46Å; K724-L728 PolarHBondContact O-N 2.79Å; K724-T754 HydrophobicContact CB-CG2 3.67Å; K724-T754 HydrophobicContact CD-CG2 4.41Å; K724-T754 HydrophobicContact CG-CG2 3.93Å; K724-D758 IonicContact NZ-OD2 3.14Å; K724-D758 PolarHBondContact NZ-OD2 3.32Å; K724-A761 HydrophobicContact CD-CB 3.86Å
725A86.9Confident87Confident1 Ų135 Ų351%0.00818%0.184CC..Hα-helixtrans-58.2-45.8175.100000112.9L139 M144 L721 D722 L728 S729 L764L139-A725 HydrophobicContact CD2-CB 3.31Å; M144-A725 HydrophobicContact CE-CB 3.67Å; M144-A725 WeakPolarHBondContact CE-O 3.48Å; L721-A725 VanDerWaalsContact O-CB 3.26Å; L721-A725 WeakPolarHBondContact O-CB 3.31Å; L721-A725 PolarHBondContact O-N 3.15Å; D722-A725 PolarHBondContact O-N 3.36Å; A725-L728 PolarHBondContact O-N 3.15Å; A725-S729 WeakPolarHBondContact O-CB 3.18Å; A725-S729 PolarHBondContact O-N 3.04Å; A725-L764 HydrophobicContact CB-CD2 3.7Å
726Q86.8Confident86.7Confident22 Ų2239.2 Ų39.210%0.10320%0.204CC..Hα-helixtrans-62.3-41175.2-77-179-28.200111.8E683 L686 D722 A723 K724 S729 V730E683-Q726 PolarHBondContact OE2-NE2 3.27Å; L686-Q726 HydrophobicContact CD1-CB 4.16Å; D722-Q726 WeakPolarHBondContact O-CB 3.33Å; D722-Q726 WeakPolarHBondContact O-CG 3.48Å; D722-Q726 PolarHBondContact O-N 2.93Å; A723-Q726 PolarHBondContact O-N 2.7Å; K724-Q726 PolarHBondContact O-N 3.04Å; Q726-S729 PolarHBondContact O-N 3.07Å; Q726-V730 WeakPolarHBondContact O-CB 3.34Å; Q726-V730 WeakPolarHBondContact O-CG2 3.31Å; Q726-V730 PolarHBondContact O-N 2.66Å
727C91.9Very high86.6Confident1 Ų140.7 Ų40.71%0.00722%0.215CC..Hα-helixtrans-63.2-45.5175.1-65.90000111.8A723 K724 A731 T754A723-C727 PolarHBondContact O-N 2.65Å; A723-C727 PolarHBondContact O-SG 3.42Å; K724-C727 WeakPolarHBondContact O-CB 3.44Å; K724-C727 PolarHBondContact O-N 2.85Å; C727-A731 WeakPolarHBondContact O-CB 3.46Å; C727-A731 PolarHBondContact O-N 3.32Å; C727-T754 HydrophobicContact CB-CG2 4.37Å
728L90.9Very high87Confident0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-60.8-47.4176-67.3174000111.6K724 A725 S732 L751 T754 V755 L764 A765 L768 V770K724-L728 VanDerWaalsContact O-CG 3.31Å; K724-L728 WeakPolarHBondContact O-CG 3.46Å; K724-L728 PolarHBondContact O-N 2.79Å; A725-L728 PolarHBondContact O-N 3.15Å; L728-S732 VanDerWaalsContact O-CB 3.23Å; L728-S732 WeakPolarHBondContact O-CB 3.31Å; L728-S732 PolarHBondContact O-N 3.24Å; L728-S732 PolarHBondContact O-OG 3.26Å; L728-L751 HydrophobicContact CD2-CD2 3.65Å; L728-T754 HydrophobicContact CD2-CG2 3.95Å; L728-T754 HydrophobicContact CG-CG2 3.91Å; L728-V755 HydrophobicContact CD2-CG1 3.91Å; L728-L764 HydrophobicContact CD1-CD2 4.2Å; L728-L764 HydrophobicContact CD1-CG 4.21Å; L728-A765 HydrophobicContact CD1-CB 3.85Å; L728-A765 HydrophobicContact CD2-CB 4.11Å; L728-L768 HydrophobicContact CB-CD1 4.23Å; L728-L768 HydrophobicContact CD1-CD1 4.22Å; L728-V770 HydrophobicContact CD2-CG2 4.48Å
729S85.3Confident87.3Confident27 Ų2737.7 Ų37.719%0.18920%0.198CC..Hα-helixtrans-64.5-48.5179.8170.70000112.1M144 A725 Q726 A731 S732 R733M144-S729 PolarHBondContact O-OG 2.74Å; M144-S729 VanDerWaalsContact O-OG 3.13Å; A725-S729 WeakPolarHBondContact O-CB 3.18Å; A725-S729 PolarHBondContact O-N 3.04Å; Q726-S729 PolarHBondContact O-N 3.07Å; S729-A731 PolarHBondContact O-N 2.97Å; S729-S732 PolarHBondContact O-N 3.11Å; S729-R733 WeakPolarHBondContact O-CB 3.26Å; S729-R733 PolarHBondContact O-N 3.08Å
730V89.8Confident88.1Confident13 Ų1333.2 Ų33.28%0.07917%0.166CC..Hα-helixtrans-66-41.1179.2171.40000111.7L686 A690 V708 Q726 S732 R733 A734L686-V730 HydrophobicContact CB-CG2 4.24Å; A690-V730 HydrophobicContact CB-CB 4.35Å; A690-V730 HydrophobicContact CB-CG1 3.71Å; A690-V730 HydrophobicContact CB-CG2 3.9Å; V708-V730 HydrophobicContact CG2-CG1 3.58Å; Q726-V730 WeakPolarHBondContact O-CB 3.34Å; Q726-V730 WeakPolarHBondContact O-CG2 3.31Å; Q726-V730 PolarHBondContact O-N 2.66Å; V730-S732 VanDerWaalsContact C-N 3.32Å; V730-S732 PolarHBondContact O-N 3.06Å; V730-R733 PolarHBondContact O-N 3.5Å; V730-A734 WeakPolarHBondContact O-CB 3.4Å; V730-A734 PolarHBondContact O-N 3.33Å
731A93.2Very high88.4Confident1 Ų136.1 Ų36.11%0.00818%0.177CC..Hα-helixtrans-61.6-43.517500000111.5V708 C727 S729 A734 L735 L747 L751V708-A731 HydrophobicContact CG1-CB 4Å; C727-A731 WeakPolarHBondContact O-CB 3.46Å; C727-A731 PolarHBondContact O-N 3.32Å; S729-A731 PolarHBondContact O-N 2.97Å; A731-A734 PolarHBondContact O-N 3.02Å; A731-L735 VanDerWaalsContact O-CG 3.29Å; A731-L735 WeakPolarHBondContact O-CG 3.49Å; A731-L735 PolarHBondContact O-N 3.49Å; A731-L747 HydrophobicContact CB-CD2 4.31Å; A731-L751 HydrophobicContact CB-CD2 3.59Å; A731-L751 HydrophobicContact CB-CG 3.89Å
732S87.1Confident88.9Confident15 Ų1536.3 Ų36.311%0.10518%0.176CC..Hα-helixtrans-64.2-46.2177.4-56.90000111.7L728 S729 V730 A734 L735 E736 Q773L728-S732 VanDerWaalsContact O-CB 3.23Å; L728-S732 WeakPolarHBondContact O-CB 3.31Å; L728-S732 PolarHBondContact O-N 3.24Å; L728-S732 PolarHBondContact O-OG 3.26Å; S729-S732 PolarHBondContact O-N 3.11Å; V730-S732 VanDerWaalsContact C-N 3.32Å; V730-S732 PolarHBondContact O-N 3.06Å; S732-A734 VanDerWaalsContact C-N 3.3Å; S732-A734 PolarHBondContact O-N 3.38Å; S732-L735 PolarHBondContact O-N 2.96Å; S732-E736 VanDerWaalsContact O-CG 3.25Å; S732-E736 WeakPolarHBondContact O-CG 3.34Å; S732-Q773 VanDerWaalsContact CA-OE1 3.25Å; S732-Q773 PolarHBondContact O-NE2 3.32Å; S732-Q773 PolarHBondContact O-OE1 2.83Å
733R84.6Confident89.6Confident109 Ų10933.8 Ų33.841%0.41116%0.163SC..Hα-helixtrans-58.2-41.1175.9-176158.288.6119.6-12.6111.4A690 D691 S729 V730 E736A690-R733 VanDerWaalsContact C-NH2 3.27Å; D691-R733 IonicContact OD1-CZ 2.86Å; D691-R733 IonicContact OD1-NH1 3.74Å; D691-R733 IonicContact OD1-NH2 2.64Å; D691-R733 PolarHBondContact OD1-NH2 2.9Å; S729-R733 WeakPolarHBondContact O-CB 3.26Å; S729-R733 PolarHBondContact O-N 3.08Å; V730-R733 PolarHBondContact O-N 3.5Å; R733-E736 WeakPolarHBondContact O-CB 3.33Å; R733-E736 WeakPolarHBondContact O-CG 3.46Å; R733-E736 PolarHBondContact O-N 3.28Å
734A89.6Confident90Very high0 Ų034.2 Ų34.20%017%0.165CC..Hα-helixtrans-69.6-36.1177.400000113.1A693 L704 V730 A731 S732 E736 T737 V738 L747A693-A734 HydrophobicContact CB-CB 4.33Å; L704-A734 HydrophobicContact CD2-CB 4.25Å; V730-A734 WeakPolarHBondContact O-CB 3.4Å; V730-A734 PolarHBondContact O-N 3.33Å; A731-A734 PolarHBondContact O-N 3.02Å; S732-A734 VanDerWaalsContact C-N 3.3Å; S732-A734 PolarHBondContact O-N 3.38Å; A734-E736 PolarHBondContact O-N 2.91Å; A734-E736 VanDerWaalsContact O-N 3.08Å; A734-T737 PolarHBondContact O-N 3.24Å; A734-V738 HydrophobicContact CB-CG2 4.24Å; A734-V738 WeakPolarHBondContact O-CB 3.27Å; A734-V738 WeakPolarHBondContact O-CG2 3.37Å; A734-V738 PolarHBondContact O-N 3.27Å; A734-L747 HydrophobicContact CB-CD1 3.66Å; A734-L747 HydrophobicContact CB-CD2 4.08Å
735L91.4Very high90.3Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-69.1-1178-74.2165.4000114.7A731 S732 I744 L747 L751 I774 K776 Y777A731-L735 VanDerWaalsContact O-CG 3.29Å; A731-L735 WeakPolarHBondContact O-CG 3.49Å; A731-L735 PolarHBondContact O-N 3.49Å; S732-L735 PolarHBondContact O-N 2.96Å; L735-I744 HydrophobicContact CD2-CB 4.35Å; L735-I744 HydrophobicContact CD2-CG1 4.33Å; L735-I744 HydrophobicContact CD2-CG2 3.95Å; L735-L747 HydrophobicContact CD1-CB 4.12Å; L735-L747 HydrophobicContact CD2-CB 3.79Å; L735-L747 HydrophobicContact CD2-CD1 3.88Å; L735-L747 HydrophobicContact CD2-CG 4.48Å; L735-L747 HydrophobicContact CG-CB 3.88Å; L735-L747 HydrophobicContact CG-CD1 3.87Å; L735-L747 HydrophobicContact CG-CG 4.47Å; L735-L751 HydrophobicContact CD1-CD1 3.57Å; L735-I774 HydrophobicContact CD1-CG2 3.92Å; L735-K776 PolarHBondContact O-NZ 3.3Å; L735-Y777 HydrophobicContact CD2-CE2 3.83Å; L735-Y777 PolarHBondContact O-OH 3.38Å
736E84.8Confident90.7Very high89 Ų8936.4 Ų36.442%0.41617%0.174SC..Hα-helixtrans-86.4-42.9174.3-48.3-123.910300111.6R182 S732 R733 A734 Q773R182-E736 IonicContact CZ-OE1 2.7Å; R182-E736 IonicContact NE-OE1 2.84Å; R182-E736 PolarHBondContact NE-OE1 3.12Å; R182-E736 IonicContact NH2-OE1 2.6Å; R182-E736 PolarHBondContact NH2-OE1 2.98Å; S732-E736 VanDerWaalsContact O-CG 3.25Å; S732-E736 WeakPolarHBondContact O-CG 3.34Å; R733-E736 WeakPolarHBondContact O-CB 3.33Å; R733-E736 WeakPolarHBondContact O-CG 3.46Å; R733-E736 PolarHBondContact O-N 3.28Å; A734-E736 PolarHBondContact O-N 2.91Å; A734-E736 VanDerWaalsContact O-N 3.08Å; E736-Q773 PolarHBondContact OE1-NE2 3.29Å
737T85.9Confident91.2Very high57 Ų5735.4 Ų35.435%0.3517%0.169SC..Hα-helixtrans-104.9-28-172.858.20000113.4A693 A734 Q739A693-T737 VanDerWaalsContact O-CB 3.27Å; A693-T737 WeakPolarHBondContact O-CB 3.31Å; A693-T737 PolarHBondContact O-OG1 3.1Å; A734-T737 PolarHBondContact O-N 3.24Å; T737-Q739 PolarHBondContact O-N 3.12Å
738V88.6Confident91.5Very high5 Ų535.3 Ų35.33%0.0317%0.169CC..  trans-73.6121.3-175.9175.50000110.8H701 A734 A743 I744 L747H701-V738 HydrophobicContact CB-CG1 3.91Å; H701-V738 HydrophobicContact CB-CG2 4.03Å; A734-V738 HydrophobicContact CB-CG2 4.24Å; A734-V738 WeakPolarHBondContact O-CB 3.27Å; A734-V738 WeakPolarHBondContact O-CG2 3.37Å; A734-V738 PolarHBondContact O-N 3.27Å; V738-A743 HydrophobicContact CG1-CB 3.51Å; V738-I744 HydrophobicContact CG1-CG1 4.2Å; V738-L747 HydrophobicContact CG2-CD1 4.48Å
739Q89.4Confident91.8Very high163 Ų16335.7 Ų35.776%0.76217%0.171SC*.  trans-102.6-15.1178.6-60.7179.6100114T737 K741T737-Q739 PolarHBondContact O-N 3.12Å; Q739-K741 PolarHBondContact O-N 3.02Å
740D93.5Very high92.3Very high40 Ų4034.4 Ų34.421%0.21416%0.162CC..  trans-73.5126.5-177.6-177.4-78.9000111K698 E742 A743 I744K698-D740 HydrophobicContact CB-CB 4.06Å; D740-E742 VanDerWaalsContact C-N 3.33Å; D740-E742 PolarHBondContact O-N 3.01Å; D740-E742 WeakPolarHBondContact OD1-CA 3.23Å; D740-E742 WeakPolarHBondContact OD1-CB 3.33Å; D740-E742 PolarHBondContact OD1-N 3.02Å; D740-A743 HydrophobicContact CB-CB 4.1Å; D740-A743 PolarHBondContact O-N 3.44Å; D740-A743 PolarHBondContact OD1-N 3.26Å; D740-A743 VanDerWaalsContact OD1-N 3.09Å; D740-I744 VanDerWaalsContact O-CG1 3.3Å; D740-I744 WeakPolarHBondContact O-CG1 3.24Å; D740-I744 PolarHBondContact O-N 3.48Å
741K93.1Very high92.7Very high108 Ų10833.9 Ų33.947%0.4716%0.158SC..Hα-helixtrans-66.1-29.8-173.4-62.5-172.5-179.2-177.30113.7Q739 F745 E782 L786Q739-K741 PolarHBondContact O-N 3.02Å; K741-F745 VanDerWaalsContact O-CB 3.27Å; K741-F745 WeakPolarHBondContact O-CB 3.4Å; K741-F745 PolarHBondContact O-N 2.87Å; K741-E782 WeakPolarHBondContact CD-O 3.28Å; K741-E782 WeakPolarHBondContact CE-O 3.45Å; K741-E782 PolarHBondContact NZ-O 3.15Å; K741-L786 HydrophobicContact CB-CD1 3.9Å; K741-L786 HydrophobicContact CG-CD1 4.32Å; K741-L786 WeakPolarHBondContact O-CD1 3.4Å
742E94.3Very high92.8Very high54 Ų5433.8 Ų33.825%0.25216%0.158SC..Hα-helixtrans-76.5-37.8176.6176.962.1-163.700110.7I702 D740 F745 R746 K785I702-E742 HydrophobicContact CD1-CB 4.33Å; I702-E742 HydrophobicContact CD1-CG 4.38Å; I702-E742 HydrophobicContact CG1-CB 4.4Å; I702-E742 HydrophobicContact CG1-CG 4.37Å; D740-E742 VanDerWaalsContact C-N 3.33Å; D740-E742 PolarHBondContact O-N 3.01Å; D740-E742 WeakPolarHBondContact OD1-CA 3.23Å; D740-E742 WeakPolarHBondContact OD1-CB 3.33Å; D740-E742 PolarHBondContact OD1-N 3.02Å; E742-F745 PolarHBondContact O-N 2.86Å; E742-R746 WeakPolarHBondContact O-CG 3.47Å; E742-R746 PolarHBondContact O-N 3.26Å; E742-R746 IonicContact OE1-CZ 3.17Å; E742-R746 VanDerWaalsContact OE1-CZ 3.28Å; E742-R746 IonicContact OE1-NE 3.38Å; E742-R746 PolarHBondContact OE1-NE 3.48Å; E742-R746 IonicContact OE1-NH2 2.73Å; E742-R746 PolarHBondContact OE1-NH2 2.91Å; E742-K785 IonicContact OE2-NZ 3.92Å; E742-K785 PolarHBondContact OE2-NZ 2.96Å
743A95.5Very high93.2Very high0 Ų033.1 Ų33.10%015%0.153CC..Hα-helixtrans-64.6-46.817200000111.9H701 I702 A705 V738 D740 F745 R746 L747H701-A743 HydrophobicContact CB-CB 3.94Å; I702-A743 HydrophobicContact CG1-CB 3.95Å; A705-A743 HydrophobicContact CB-CB 4.21Å; A705-A743 WeakPolarHBondContact CB-O 3.39Å; V738-A743 HydrophobicContact CG1-CB 3.51Å; D740-A743 HydrophobicContact CB-CB 4.1Å; D740-A743 PolarHBondContact O-N 3.44Å; D740-A743 PolarHBondContact OD1-N 3.26Å; D740-A743 VanDerWaalsContact OD1-N 3.09Å; A743-F745 VanDerWaalsContact C-N 3.34Å; A743-F745 PolarHBondContact O-N 2.83Å; A743-R746 PolarHBondContact O-N 3.41Å; A743-L747 WeakPolarHBondContact O-CG 3.46Å; A743-L747 PolarHBondContact O-N 3.42Å
744I96.6Very high93.7Very high10 Ų1028 Ų285%0.05113%0.134CC..Hα-helixtrans-56.8-47.4174.3-68.3160.5000110.7L735 V738 D740 R746 L747 L748 Y777 L786L735-I744 HydrophobicContact CD2-CB 4.35Å; L735-I744 HydrophobicContact CD2-CG1 4.33Å; L735-I744 HydrophobicContact CD2-CG2 3.95Å; V738-I744 HydrophobicContact CG1-CG1 4.2Å; D740-I744 VanDerWaalsContact O-CG1 3.3Å; D740-I744 WeakPolarHBondContact O-CG1 3.24Å; D740-I744 PolarHBondContact O-N 3.48Å; I744-R746 VanDerWaalsContact C-N 3.34Å; I744-R746 PolarHBondContact O-N 3.47Å; I744-L747 PolarHBondContact O-N 3.38Å; I744-L748 HydrophobicContact CG2-CD1 4.08Å; I744-L748 HydrophobicContact CG2-CG 4.45Å; I744-L748 WeakPolarHBondContact O-CG 3.29Å; I744-L748 PolarHBondContact O-N 3.14Å; I744-Y777 HydrophobicContact CD1-CE1 3.86Å; I744-Y777 HydrophobicContact CG1-CE1 4.35Å; I744-Y777 HydrophobicContact CG2-CD1 3.86Å; I744-Y777 HydrophobicContact CG2-CD2 4.27Å; I744-Y777 HydrophobicContact CG2-CE1 3.72Å; I744-Y777 HydrophobicContact CG2-CE2 4.16Å; I744-Y777 HydrophobicContact CG2-CG 4.13Å; I744-L786 HydrophobicContact CB-CD1 4.26Å; I744-L786 HydrophobicContact CG2-CD1 3.98Å; I744-L786 HydrophobicContact CG2-CD2 4.11Å; I744-L786 HydrophobicContact CG2-CG 4.21Å
745F96.6Very high94Very high14 Ų1428.1 Ų28.16%0.06114%0.135CC..Hα-helixtrans-57.2-44.9177.2171.6-104.2000112.1Y534 K741 E742 A743 L747 L748 V749 K785 C789Y534-F745 AromaticContact CD1-CE2 3.8Å; Y534-F745 HydrophobicContact CD1-CE2 3.8Å; Y534-F745 AromaticContact CD1-CZ 3.75Å; Y534-F745 HydrophobicContact CD1-CZ 3.75Å; Y534-F745 AromaticContact CE1-CE2 3.96Å; Y534-F745 HydrophobicContact CE1-CE2 3.96Å; Y534-F745 HydrophobicContact CE1-CZ 4.05Å; Y534-F745 HydrophobicContact CG-CE2 4.49Å; K741-F745 VanDerWaalsContact O-CB 3.27Å; K741-F745 WeakPolarHBondContact O-CB 3.4Å; K741-F745 PolarHBondContact O-N 2.87Å; E742-F745 PolarHBondContact O-N 2.86Å; A743-F745 VanDerWaalsContact C-N 3.34Å; A743-F745 PolarHBondContact O-N 2.83Å; F745-L747 PolarHBondContact O-N 3.2Å; F745-L748 PolarHBondContact O-N 2.86Å; F745-V749 HydrophobicContact CD2-CG2 4.47Å; F745-V749 HydrophobicContact CE1-CG2 4.16Å; F745-V749 HydrophobicContact CE2-CG2 4.06Å; F745-V749 HydrophobicContact CZ-CG2 3.88Å; F745-V749 WeakPolarHBondContact O-CG2 3.37Å; F745-V749 PolarHBondContact O-N 2.95Å; F745-K785 HydrophobicContact CD1-CD 4.21Å; F745-K785 VanDerWaalsContact CD1-NZ 3.31Å; F745-K785 HydrophobicContact CD2-CB 4.37Å; F745-K785 HydrophobicContact CD2-CD 4.03Å; F745-K785 HydrophobicContact CD2-CG 3.88Å; F745-K785 HydrophobicContact CE1-CD 4Å; F745-K785 HydrophobicContact CE2-CB 3.91Å; F745-K785 HydrophobicContact CE2-CD 3.81Å; F745-K785 HydrophobicContact CE2-CG 3.82Å; F745-K785 WeakPolarHBondContact CE2-O 3.32Å; F745-K785 HydrophobicContact CG-CD 4.22Å; F745-K785 HydrophobicContact CG-CG 4.43Å; F745-K785 HydrophobicContact CZ-CB 4.49Å; F745-K785 HydrophobicContact CZ-CD 3.8Å; F745-K785 HydrophobicContact CZ-CG 4.33Å; F745-C789 HydrophobicContact CD2-CB 4.21Å; F745-C789 HydrophobicContact CE2-CB 3.96Å
746R96.9Very high94.1Very high36 Ų3628.3 Ų28.314%0.13614%0.136CC..Hα-helixtrans-64.4-37.6176.8-72.9172.7-172.4-113.3-15.3113.1A705 T706 E742 A743 I744 V749 A750A705-R746 HydrophobicContact CB-CB 3.7Å; T706-R746 WeakPolarHBondContact OG1-CD 3.46Å; T706-R746 PolarHBondContact OG1-NH1 3.39Å; E742-R746 WeakPolarHBondContact O-CG 3.47Å; E742-R746 PolarHBondContact O-N 3.26Å; E742-R746 IonicContact OE1-CZ 3.17Å; E742-R746 VanDerWaalsContact OE1-CZ 3.28Å; E742-R746 IonicContact OE1-NE 3.38Å; E742-R746 PolarHBondContact OE1-NE 3.48Å; E742-R746 IonicContact OE1-NH2 2.73Å; E742-R746 PolarHBondContact OE1-NH2 2.91Å; A743-R746 PolarHBondContact O-N 3.41Å; I744-R746 VanDerWaalsContact C-N 3.34Å; I744-R746 PolarHBondContact O-N 3.47Å; R746-V749 PolarHBondContact O-N 2.97Å; R746-A750 WeakPolarHBondContact O-CB 3.4Å; R746-A750 PolarHBondContact O-N 2.86Å
747L97.2Very high94.2Very high1 Ų129.5 Ų29.51%0.00515%0.154CC..Hα-helixtrans-65.9-38.9174.3-66.9168.8000111.7A705 V708 A731 A734 L735 V738 A743 I744 F745 A750 L751A705-L747 HydrophobicContact CB-CD1 4.38Å; A705-L747 HydrophobicContact CB-CD2 3.85Å; A705-L747 HydrophobicContact CB-CG 3.67Å; V708-L747 HydrophobicContact CB-CD2 4.44Å; A731-L747 HydrophobicContact CB-CD2 4.31Å; A734-L747 HydrophobicContact CB-CD1 3.66Å; A734-L747 HydrophobicContact CB-CD2 4.08Å; L735-L747 HydrophobicContact CD1-CB 4.12Å; L735-L747 HydrophobicContact CD2-CB 3.79Å; L735-L747 HydrophobicContact CD2-CD1 3.88Å; L735-L747 HydrophobicContact CD2-CG 4.48Å; L735-L747 HydrophobicContact CG-CB 3.88Å; L735-L747 HydrophobicContact CG-CD1 3.87Å; L735-L747 HydrophobicContact CG-CG 4.47Å; V738-L747 HydrophobicContact CG2-CD1 4.48Å; A743-L747 WeakPolarHBondContact O-CG 3.46Å; A743-L747 PolarHBondContact O-N 3.42Å; I744-L747 PolarHBondContact O-N 3.38Å; F745-L747 PolarHBondContact O-N 3.2Å; L747-A750 WeakPolarHBondContact O-CB 3.47Å; L747-A750 PolarHBondContact O-N 3.14Å; L747-L751 WeakPolarHBondContact O-CG 3.48Å; L747-L751 PolarHBondContact O-N 3.49Å
748L97Very high94.3Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-63.9-43.2173.1-67.7169.2000111.8I744 F745 A750 L751 G752 I774 Y777 L786 C790 V793I744-L748 HydrophobicContact CG2-CD1 4.08Å; I744-L748 HydrophobicContact CG2-CG 4.45Å; I744-L748 WeakPolarHBondContact O-CG 3.29Å; I744-L748 PolarHBondContact O-N 3.14Å; F745-L748 PolarHBondContact O-N 2.86Å; L748-A750 VanDerWaalsContact C-N 3.29Å; L748-A750 PolarHBondContact O-N 3.31Å; L748-L751 PolarHBondContact O-N 2.85Å; L748-G752 PolarHBondContact O-N 3.47Å; L748-I774 HydrophobicContact CD2-CB 3.85Å; L748-I774 HydrophobicContact CD2-CD1 4.12Å; L748-I774 HydrophobicContact CD2-CG2 3.8Å; L748-Y777 HydrophobicContact CD2-CD2 4.41Å; L748-L786 HydrophobicContact CD1-CD2 3.88Å; L748-L786 HydrophobicContact CD1-CG 4.15Å; L748-C790 HydrophobicContact CD1-CB 4Å; L748-C790 HydrophobicContact CD2-CB 4.36Å; L748-V793 WeakPolarHBondContact O-CG2 3.32Å
749V97.1Very high94.3Very high8 Ų832.9 Ų32.95%0.04817%0.167CC..Hα-helixtrans-62.8-36.7174177.50000111.3Y534 F535 K537 L709 F745 R746 T753Y534-V749 WeakPolarHBondContact O-CG1 3.39Å; F535-V749 HydrophobicContact CB-CG1 4.28Å; K537-V749 HydrophobicContact CB-CG1 3.98Å; L709-V749 HydrophobicContact CD1-CB 4.26Å; L709-V749 HydrophobicContact CD1-CG1 3.66Å; L709-V749 HydrophobicContact CD2-CG1 4.31Å; F745-V749 HydrophobicContact CD2-CG2 4.47Å; F745-V749 HydrophobicContact CE1-CG2 4.16Å; F745-V749 HydrophobicContact CE2-CG2 4.06Å; F745-V749 HydrophobicContact CZ-CG2 3.88Å; F745-V749 WeakPolarHBondContact O-CG2 3.37Å; F745-V749 PolarHBondContact O-N 2.95Å; R746-V749 PolarHBondContact O-N 2.97Å; V749-T753 VanDerWaalsContact O-CB 3.28Å; V749-T753 WeakPolarHBondContact O-CB 3.46Å; V749-T753 PolarHBondContact O-N 2.94Å; V749-T753 PolarHBondContact O-OG1 3.3Å
750A97.1Very high94.2Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-66.4-45.7175.900000112.2V708 L709 A712 R746 L747 L748 T753 T754V708-A750 HydrophobicContact CG1-CB 4.14Å; L709-A750 HydrophobicContact CB-CB 4.04Å; L709-A750 HydrophobicContact CD1-CB 4.16Å; A712-A750 HydrophobicContact CB-CB 4.21Å; A712-A750 WeakPolarHBondContact CB-O 3.41Å; R746-A750 WeakPolarHBondContact O-CB 3.4Å; R746-A750 PolarHBondContact O-N 2.86Å; L747-A750 WeakPolarHBondContact O-CB 3.47Å; L747-A750 PolarHBondContact O-N 3.14Å; L748-A750 VanDerWaalsContact C-N 3.29Å; L748-A750 PolarHBondContact O-N 3.31Å; A750-T753 PolarHBondContact O-N 3.44Å; A750-T754 PolarHBondContact O-N 3.45Å; A750-T754 PolarHBondContact O-OG1 2.92Å
751L96.3Very high94Very high1 Ų126.3 Ų26.31%0.00514%0.139CC..Hα-helixtrans-58.3-51.2173.7-72.3176000111L728 A731 L735 L747 L748 T753 T754 V755 V770 I774 V793L728-L751 HydrophobicContact CD2-CD2 3.65Å; A731-L751 HydrophobicContact CB-CD2 3.59Å; A731-L751 HydrophobicContact CB-CG 3.89Å; L735-L751 HydrophobicContact CD1-CD1 3.57Å; L747-L751 WeakPolarHBondContact O-CG 3.48Å; L747-L751 PolarHBondContact O-N 3.49Å; L748-L751 PolarHBondContact O-N 2.85Å; L751-T753 VanDerWaalsContact C-N 3.33Å; L751-T753 PolarHBondContact O-N 3.17Å; L751-T754 WeakPolarHBondContact O-CB 3.28Å; L751-T754 PolarHBondContact O-N 3.22Å; L751-T754 VanDerWaalsContact O-N 3.17Å; L751-V755 PolarHBondContact O-N 3.2Å; L751-V770 HydrophobicContact CD1-CG1 3.78Å; L751-V770 HydrophobicContact CD2-CG1 3.85Å; L751-V770 HydrophobicContact CG-CG1 4.34Å; L751-I774 HydrophobicContact CD1-CG2 3.69Å; L751-V793 HydrophobicContact CB-CG1 4.32Å
752G96Very high93.8Very high0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-58.5-41.617700000113.1F535 L748 T754 V755 A756F535-G752 VanDerWaalsContact CD2-O 3.28Å; F535-G752 WeakPolarHBondContact CD2-O 3.41Å; L748-G752 PolarHBondContact O-N 3.47Å; G752-T754 VanDerWaalsContact C-N 3.34Å; G752-T754 PolarHBondContact O-N 2.92Å; G752-V755 PolarHBondContact O-N 3.37Å; G752-A756 WeakPolarHBondContact O-CB 3.42Å; G752-A756 PolarHBondContact O-N 3.47Å
753T96.1Very high93.3Very high0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-66.2-36.1177.2-58.90000112.4F535 P536 K537 A712 H716 V749 A750 L751F535-T753 WeakPolarHBondContact CB-OG1 3.3Å; P536-T753 HydrophobicContact CB-CG2 4.14Å; K537-T753 PolarHBondContact N-OG1 3.23Å; A712-T753 HydrophobicContact CB-CG2 4.22Å; H716-T753 HydrophobicContact CB-CG2 4.17Å; H716-T753 PolarHBondContact ND1-O 2.75Å; V749-T753 VanDerWaalsContact O-CB 3.28Å; V749-T753 WeakPolarHBondContact O-CB 3.46Å; V749-T753 PolarHBondContact O-N 2.94Å; V749-T753 PolarHBondContact O-OG1 3.3Å; A750-T753 PolarHBondContact O-N 3.44Å; L751-T753 VanDerWaalsContact C-N 3.33Å; L751-T753 PolarHBondContact O-N 3.17Å
754T95.6Very high92.8Very high3 Ų321.7 Ų21.72%0.01812%0.121CC..Hα-helixtrans-65.7-38.2177.9-550000112.4A712 K724 C727 L728 A750 L751 G752A712-T754 WeakPolarHBondContact CB-OG1 3.23Å; K724-T754 HydrophobicContact CB-CG2 3.67Å; K724-T754 HydrophobicContact CD-CG2 4.41Å; K724-T754 HydrophobicContact CG-CG2 3.93Å; C727-T754 HydrophobicContact CB-CG2 4.37Å; L728-T754 HydrophobicContact CD2-CG2 3.95Å; L728-T754 HydrophobicContact CG-CG2 3.91Å; A750-T754 PolarHBondContact O-N 3.45Å; A750-T754 PolarHBondContact O-OG1 2.92Å; L751-T754 WeakPolarHBondContact O-CB 3.28Å; L751-T754 PolarHBondContact O-N 3.22Å; L751-T754 VanDerWaalsContact O-N 3.17Å; G752-T754 VanDerWaalsContact C-N 3.34Å; G752-T754 PolarHBondContact O-N 2.92Å
755V94.4Very high92.3Very high2 Ų221.2 Ų21.21%0.01212%0.118CC..Hα-helixtrans-99.9-18.9-173.9-52.70000115L728 L751 G752 S757 D758 A761 Q762 A765 E796 L797L728-V755 HydrophobicContact CD2-CG1 3.91Å; L751-V755 PolarHBondContact O-N 3.2Å; G752-V755 PolarHBondContact O-N 3.37Å; V755-S757 PolarHBondContact O-N 3.32Å; V755-D758 PolarHBondContact O-N 3.3Å; V755-A761 HydrophobicContact CG1-CB 4.5Å; V755-Q762 HydrophobicContact CB-CG 4Å; V755-Q762 WeakPolarHBondContact O-CG 3.25Å; V755-A765 HydrophobicContact CG1-CB 3.7Å; V755-E796 HydrophobicContact CG2-CB 4.15Å; V755-L797 HydrophobicContact CB-CD2 4.39Å; V755-L797 HydrophobicContact CG1-CD2 4.23Å; V755-L797 HydrophobicContact CG2-CD2 4.18Å
756A93.3Very high91.7Very high4 Ų425.1 Ų25.13%0.03313%0.133CC..THydrogen-bonded Turntrans-57.6133-178.500000111.4F535 P536 H716 G752 D758F535-A756 HydrophobicContact CD2-CB 3.99Å; F535-A756 HydrophobicContact CE2-CB 4.26Å; P536-A756 HydrophobicContact CB-CB 4.25Å; P536-A756 HydrophobicContact CG-CB 4.44Å; H716-A756 PolarHBondContact CE1-O 2.98Å; G752-A756 WeakPolarHBondContact O-CB 3.42Å; G752-A756 PolarHBondContact O-N 3.47Å; A756-D758 PolarHBondContact O-N 3.37Å; A756-D758 VanDerWaalsContact O-N 3.16Å
757S87.6Confident90.7Very high113 Ų11324 Ų2479%0.7913%0.131SC*.THydrogen-bonded Turntrans59.317.7178-50.60000115.8V755V755-S757 PolarHBondContact O-N 3.32Å
758D89.1Confident89.7Confident33 Ų3324.5 Ų24.518%0.17613%0.133CC..  trans-133.7103.1177.9-178.3-21000110.8K724 V755 A756 T760 A761 Q762K724-D758 IonicContact NZ-OD2 3.14Å; K724-D758 PolarHBondContact NZ-OD2 3.32Å; V755-D758 PolarHBondContact O-N 3.3Å; A756-D758 PolarHBondContact O-N 3.37Å; A756-D758 VanDerWaalsContact O-N 3.16Å; D758-T760 VanDerWaalsContact C-N 3.3Å; D758-T760 PolarHBondContact O-N 3.02Å; D758-T760 WeakPolarHBondContact OD1-CA 3.47Å; D758-T760 WeakPolarHBondContact OD1-CB 3.47Å; D758-T760 PolarHBondContact OD1-N 3.44Å; D758-A761 HydrophobicContact CB-CB 3.85Å; D758-A761 PolarHBondContact O-N 3.49Å; D758-A761 PolarHBondContact OD1-N 3.39Å; D758-Q762 VanDerWaalsContact O-CG 3.31Å; D758-Q762 WeakPolarHBondContact O-CG 3.48Å; D758-Q762 PolarHBondContact O-N 3.42Å
759Q88.4Confident88.7Confident101 Ų10124.7 Ų24.747%0.47214%0.135SC..Hα-helixtrans-60.9-37.1-179.2-169.463.768.600112.6Q762 D763Q759-Q762 VanDerWaalsContact NE2-OE1 3.13Å; Q759-Q762 PolarHBondContact O-N 2.9Å; Q759-D763 PolarHBondContact NE2-OD1 3.47Å; Q759-D763 WeakPolarHBondContact O-CB 3.45Å; Q759-D763 PolarHBondContact O-N 2.99Å
760T86.1Confident88.1Confident64 Ų6424.4 Ų24.439%0.39313%0.133SC..Hα-helixtrans-68.1-39.1179.7-500000110.5F123 L721 D758 D763 L764F123-T760 HydrophobicContact CD1-CG2 4.32Å; F123-T760 HydrophobicContact CE1-CG2 4.23Å; L721-T760 HydrophobicContact CD1-CG2 3.85Å; L721-T760 HydrophobicContact CD2-CG2 4.01Å; D758-T760 VanDerWaalsContact C-N 3.3Å; D758-T760 PolarHBondContact O-N 3.02Å; D758-T760 WeakPolarHBondContact OD1-CA 3.47Å; D758-T760 WeakPolarHBondContact OD1-CB 3.47Å; D758-T760 PolarHBondContact OD1-N 3.44Å; T760-D763 PolarHBondContact O-N 3.01Å; T760-L764 VanDerWaalsContact O-CB 3.32Å; T760-L764 WeakPolarHBondContact O-CB 3.4Å; T760-L764 PolarHBondContact O-N 3.41Å
761A88.8Confident87.6Confident0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-70-36.3174.100000112.7K724 V755 D758 A765K724-A761 HydrophobicContact CD-CB 3.86Å; V755-A761 HydrophobicContact CG1-CB 4.5Å; D758-A761 HydrophobicContact CB-CB 3.85Å; D758-A761 PolarHBondContact O-N 3.49Å; D758-A761 PolarHBondContact OD1-N 3.39Å; A761-A765 VanDerWaalsContact O-CB 3.26Å; A761-A765 WeakPolarHBondContact O-CB 3.32Å; A761-A765 PolarHBondContact O-N 3.04Å
762Q90.6Very high86.7Confident22 Ų2227.1 Ų27.110%0.10316%0.155CC..Hα-helixtrans-62.3-47.1171.3-69.4169.5-6.600111.1V755 D758 Q759 A765 R766 E796V755-Q762 HydrophobicContact CB-CG 4Å; V755-Q762 WeakPolarHBondContact O-CG 3.25Å; D758-Q762 VanDerWaalsContact O-CG 3.31Å; D758-Q762 WeakPolarHBondContact O-CG 3.48Å; D758-Q762 PolarHBondContact O-N 3.42Å; Q759-Q762 VanDerWaalsContact NE2-OE1 3.13Å; Q759-Q762 PolarHBondContact O-N 2.9Å; Q762-A765 PolarHBondContact O-N 3.29Å; Q762-R766 WeakPolarHBondContact O-CG 3.44Å; Q762-R766 PolarHBondContact O-N 3.36Å; Q762-E796 VanDerWaalsContact CG-O 3.27Å; Q762-E796 WeakPolarHBondContact CG-O 3.23Å; Q762-E796 PolarHBondContact NE2-O 2.8Å; Q762-E796 PolarHBondContact NE2-OE2 3.23Å
763D83.4Confident86.1Confident43 Ų4327.4 Ų27.423%0.2316%0.156CC..Hα-helixtrans-65.9-39.1-179.5-67.9-2.1000112.2F123 Q759 T760 R766 S767F123-D763 HydrophobicContact CE1-CB 4.41Å; F123-D763 HydrophobicContact CE2-CB 3.56Å; F123-D763 HydrophobicContact CZ-CB 3.38Å; Q759-D763 PolarHBondContact NE2-OD1 3.47Å; Q759-D763 WeakPolarHBondContact O-CB 3.45Å; Q759-D763 PolarHBondContact O-N 2.99Å; T760-D763 PolarHBondContact O-N 3.01Å; D763-R766 WeakPolarHBondContact O-CB 3.48Å; D763-R766 PolarHBondContact O-N 3.43Å; D763-R766 IonicContact OD1-CZ 3.11Å; D763-R766 IonicContact OD1-NE 2.81Å; D763-R766 IonicContact OD1-NH2 3.71Å; D763-R766 PolarHBondContact OD1-NH2 2.97Å; D763-S767 PolarHBondContact O-N 3.46Å
764L83.9Confident85.8Confident0 Ų027.4 Ų27.40%016%0.156CC..Hα-helixtrans-65-42.9171.117864.3000111.8L139 L721 A725 L728 T760 R766 S767 L768L139-L764 HydrophobicContact CD1-CD1 4.43Å; L139-L764 HydrophobicContact CD2-CD1 4.15Å; L139-L764 HydrophobicContact CD2-CD2 4.35Å; L721-L764 HydrophobicContact CD1-CB 4.44Å; L721-L764 HydrophobicContact CD1-CD2 3.65Å; L721-L764 HydrophobicContact CG-CD2 4.08Å; A725-L764 HydrophobicContact CB-CD2 3.7Å; L728-L764 HydrophobicContact CD1-CD2 4.2Å; L728-L764 HydrophobicContact CD1-CG 4.21Å; T760-L764 VanDerWaalsContact O-CB 3.32Å; T760-L764 WeakPolarHBondContact O-CB 3.4Å; T760-L764 PolarHBondContact O-N 3.41Å; L764-R766 VanDerWaalsContact C-N 3.25Å; L764-R766 PolarHBondContact O-N 2.94Å; L764-S767 PolarHBondContact O-N 2.93Å; L764-S767 PolarHBondContact O-OG 3.01Å; L764-L768 HydrophobicContact CD1-CD1 3.96Å; L764-L768 HydrophobicContact CD1-CG 4.07Å; L764-L768 HydrophobicContact CG-CD1 3.91Å; L764-L768 HydrophobicContact CG-CG 4.4Å; L764-L768 WeakPolarHBondContact O-CB 3.32Å; L764-L768 VanDerWaalsContact O-CG 3.27Å; L764-L768 WeakPolarHBondContact O-CG 3.43Å; L764-L768 PolarHBondContact O-N 3.2Å
765A86.4Confident85.5Confident0 Ų030 Ų300%017%0.174CC..Hα-helixtrans-64.7-31.5175.400000112.2L728 V755 A761 Q762 G769 V770 L797L728-A765 HydrophobicContact CD1-CB 3.85Å; L728-A765 HydrophobicContact CD2-CB 4.11Å; V755-A765 HydrophobicContact CG1-CB 3.7Å; A761-A765 VanDerWaalsContact O-CB 3.26Å; A761-A765 WeakPolarHBondContact O-CB 3.32Å; A761-A765 PolarHBondContact O-N 3.04Å; Q762-A765 PolarHBondContact O-N 3.29Å; A765-G769 PolarHBondContact O-N 2.69Å; A765-V770 HydrophobicContact CB-CB 4.2Å; A765-V770 HydrophobicContact CB-CG2 4.06Å; A765-V770 WeakPolarHBondContact O-CB 3.46Å; A765-V770 WeakPolarHBondContact O-CG2 3.42Å; A765-V770 PolarHBondContact O-N 3.34Å; A765-L797 HydrophobicContact CB-CD2 3.54Å
766R84.4Confident85.2Confident96 Ų9634.3 Ų34.336%0.36219%0.193SC..Hα-helixtrans-66.6-48.5169.2-73.4-166.8-78.7-160.31.4111.7G164 Q762 D763 L764 L768 G769 L797 Q798G164-R766 WeakPolarHBondContact CA-O 3.29Å; Q762-R766 WeakPolarHBondContact O-CG 3.44Å; Q762-R766 PolarHBondContact O-N 3.36Å; D763-R766 WeakPolarHBondContact O-CB 3.48Å; D763-R766 PolarHBondContact O-N 3.43Å; D763-R766 IonicContact OD1-CZ 3.11Å; D763-R766 IonicContact OD1-NE 2.81Å; D763-R766 IonicContact OD1-NH2 3.71Å; D763-R766 PolarHBondContact OD1-NH2 2.97Å; L764-R766 VanDerWaalsContact C-N 3.25Å; L764-R766 PolarHBondContact O-N 2.94Å; R766-L768 VanDerWaalsContact C-N 3.31Å; R766-L768 PolarHBondContact O-N 3.02Å; R766-G769 WeakPolarHBondContact O-CA 3.24Å; R766-G769 PolarHBondContact O-N 2.88Å; R766-L797 WeakPolarHBondContact CD-O 3.48Å; R766-Q798 PolarHBondContact NH1-O 3.09Å
767S76.3Confident85.2Confident14 Ų1435.2 Ų35.210%0.09820%0.196CC..Hα-helixtrans-64.9-33.5179.975.90000113G164 D763 L764 G769G164-S767 WeakPolarHBondContact CA-O 3.38Å; D763-S767 PolarHBondContact O-N 3.46Å; L764-S767 PolarHBondContact O-N 2.93Å; L764-S767 PolarHBondContact O-OG 3.01Å; S767-G769 VanDerWaalsContact C-N 3.27Å; S767-G769 PolarHBondContact O-N 3.29Å
768L75.7Confident85.3Confident10 Ų1031.1 Ų31.15%0.05217%0.167CC..THydrogen-bonded Turntrans-77.9-6.4172.1-63.1173.7000113.4M145 A180 L728 L764 R766 V770M145-L768 HydrophobicContact CE-CD2 3.81Å; A180-L768 VanDerWaalsContact CA-O 3.3Å; A180-L768 WeakPolarHBondContact CA-O 3.06Å; A180-L768 WeakPolarHBondContact CB-O 3.31Å; L728-L768 HydrophobicContact CB-CD1 4.23Å; L728-L768 HydrophobicContact CD1-CD1 4.22Å; L764-L768 HydrophobicContact CD1-CD1 3.96Å; L764-L768 HydrophobicContact CD1-CG 4.07Å; L764-L768 HydrophobicContact CG-CD1 3.91Å; L764-L768 HydrophobicContact CG-CG 4.4Å; L764-L768 WeakPolarHBondContact O-CB 3.32Å; L764-L768 VanDerWaalsContact O-CG 3.27Å; L764-L768 WeakPolarHBondContact O-CG 3.43Å; L764-L768 PolarHBondContact O-N 3.2Å; R766-L768 VanDerWaalsContact C-N 3.31Å; R766-L768 PolarHBondContact O-N 3.02Å; L768-V770 HydrophobicContact CB-CG2 4.21Å; L768-V770 PolarHBondContact O-N 3.07Å
769G75.8Confident85.3Confident4 Ų435.1 Ų35.14%0.04119%0.193CC..THydrogen-bonded Turntrans78.211.4174.900000116.2A765 R766 S767 G771 S772 Q773A765-G769 PolarHBondContact O-N 2.69Å; R766-G769 WeakPolarHBondContact O-CA 3.24Å; R766-G769 PolarHBondContact O-N 2.88Å; S767-G769 VanDerWaalsContact C-N 3.27Å; S767-G769 PolarHBondContact O-N 3.29Å; G769-G771 VanDerWaalsContact C-N 3.3Å; G769-G771 PolarHBondContact O-N 3.41Å; G769-G771 VanDerWaalsContact O-N 3.15Å; G769-S772 PolarHBondContact O-N 3.48Å; G769-Q773 PolarHBondContact O-N 3.12Å
770V85.8Confident85.3Confident2 Ų232.2 Ų32.21%0.01218%0.182CC..Hα-helixtrans-49.6-45.8-170175.50000112.8L728 L751 A765 L768 S772 Q773 I774 L797L728-V770 HydrophobicContact CD2-CG2 4.48Å; L751-V770 HydrophobicContact CD1-CG1 3.78Å; L751-V770 HydrophobicContact CD2-CG1 3.85Å; L751-V770 HydrophobicContact CG-CG1 4.34Å; A765-V770 HydrophobicContact CB-CB 4.2Å; A765-V770 HydrophobicContact CB-CG2 4.06Å; A765-V770 WeakPolarHBondContact O-CB 3.46Å; A765-V770 WeakPolarHBondContact O-CG2 3.42Å; A765-V770 PolarHBondContact O-N 3.34Å; L768-V770 HydrophobicContact CB-CG2 4.21Å; L768-V770 PolarHBondContact O-N 3.07Å; V770-S772 VanDerWaalsContact C-N 3.3Å; V770-S772 PolarHBondContact O-N 3.4Å; V770-Q773 VanDerWaalsContact O-CB 3.31Å; V770-Q773 WeakPolarHBondContact O-CB 3.37Å; V770-Q773 PolarHBondContact O-N 2.83Å; V770-Q773 VanDerWaalsContact O-N 3.07Å; V770-I774 PolarHBondContact O-N 2.95Å; V770-I774 VanDerWaalsContact O-N 3.16Å; V770-L797 HydrophobicContact CB-CD1 4.4Å; V770-L797 HydrophobicContact CG1-CD1 4.25Å
771G84.8Confident85.2Confident15 Ų1533.7 Ų33.716%0.15520%0.195CC..Hα-helixtrans-57.7-39.5-178.300000113.4G769 I774 S775 L794G769-G771 VanDerWaalsContact C-N 3.3Å; G769-G771 PolarHBondContact O-N 3.41Å; G769-G771 VanDerWaalsContact O-N 3.15Å; G771-I774 WeakPolarHBondContact O-CG1 3.13Å; G771-S775 PolarHBondContact O-N 3.27Å; G771-S775 VanDerWaalsContact O-N 3.12Å; G771-L794 WeakPolarHBondContact O-CD2 3.37Å
772S78.2Confident85Confident43 Ų4340.4 Ų40.430%0.30123%0.226SC..Hα-helixtrans-72.6-34.9177.3-61.40000112K179 G769 V770 I774 S775K179-S772 WeakPolarHBondContact CD-OG 3.48Å; K179-S772 WeakPolarHBondContact CE-OG 3.48Å; K179-S772 PolarHBondContact NZ-OG 2.88Å; G769-S772 PolarHBondContact O-N 3.48Å; V770-S772 VanDerWaalsContact C-N 3.3Å; V770-S772 PolarHBondContact O-N 3.4Å; S772-I774 VanDerWaalsContact C-N 3.27Å; S772-I774 PolarHBondContact O-N 3.3Å; S772-S775 WeakPolarHBondContact O-CB 3.37Å; S772-S775 PolarHBondContact O-N 2.94Å; S772-S775 PolarHBondContact O-OG 3.42Å
773Q83.2Confident84.9Confident7 Ų741.9 Ų41.93%0.03324%0.238CC..Hα-helixtrans-60.5-37.6177.6-151.8-151.230.900112.8A180 S732 E736 G769 V770A180-Q773 HydrophobicContact CB-CB 3.76Å; A180-Q773 HydrophobicContact CB-CG 3.96Å; S732-Q773 VanDerWaalsContact CA-OE1 3.25Å; S732-Q773 PolarHBondContact O-NE2 3.32Å; S732-Q773 PolarHBondContact O-OE1 2.83Å; E736-Q773 PolarHBondContact OE1-NE2 3.29Å; G769-Q773 PolarHBondContact O-N 3.12Å; V770-Q773 VanDerWaalsContact O-CB 3.31Å; V770-Q773 WeakPolarHBondContact O-CB 3.37Å; V770-Q773 PolarHBondContact O-N 2.83Å; V770-Q773 VanDerWaalsContact O-N 3.07Å
774I90.8Very high85.1Confident0 Ų042.9 Ų42.90%025%0.248CC..Hα-helixtrans-88.6-16.118069.3174.2000114.1L735 L748 L751 V770 G771 S772 K776 Y777 C790 V793 L794L735-I774 HydrophobicContact CD1-CG2 3.92Å; L748-I774 HydrophobicContact CD2-CB 3.85Å; L748-I774 HydrophobicContact CD2-CD1 4.12Å; L748-I774 HydrophobicContact CD2-CG2 3.8Å; L751-I774 HydrophobicContact CD1-CG2 3.69Å; V770-I774 PolarHBondContact O-N 2.95Å; V770-I774 VanDerWaalsContact O-N 3.16Å; G771-I774 WeakPolarHBondContact O-CG1 3.13Å; S772-I774 VanDerWaalsContact C-N 3.27Å; S772-I774 PolarHBondContact O-N 3.3Å; I774-K776 PolarHBondContact O-N 2.91Å; I774-Y777 HydrophobicContact CB-CD2 4.23Å; I774-Y777 WeakPolarHBondContact O-CB 3.38Å; I774-Y777 WeakPolarHBondContact O-CD2 3.38Å; I774-Y777 PolarHBondContact O-N 2.93Å; I774-C790 PolarHBondContact O-SG 3.39Å; I774-V793 HydrophobicContact CD1-CB 3.85Å; I774-V793 HydrophobicContact CD1-CG1 3.5Å; I774-L794 HydrophobicContact CD1-CD2 4.15Å; I774-L794 HydrophobicContact CD1-CG 4.2Å; I774-L794 HydrophobicContact CG1-CD2 3.87Å; I774-L794 HydrophobicContact CG1-CG 4.26Å
775S88.4Confident85.5Confident57 Ų5745.6 Ų45.640%0.39926%0.26SS..G310 helixtrans-47.6-39.8-174.5650000114.3G771 S772 Y777 S778G771-S775 PolarHBondContact O-N 3.27Å; G771-S775 VanDerWaalsContact O-N 3.12Å; S772-S775 WeakPolarHBondContact O-CB 3.37Å; S772-S775 PolarHBondContact O-N 2.94Å; S772-S775 PolarHBondContact O-OG 3.42Å; S775-Y777 PolarHBondContact O-N 2.9Å; S775-Y777 VanDerWaalsContact O-N 3.08Å; S775-S778 WeakPolarHBondContact O-CB 3.11Å; S775-S778 PolarHBondContact O-N 3.4Å; S775-S778 PolarHBondContact O-OG 3.36Å
776K88.7Confident85.8Confident93 Ų9345.7 Ų45.740%0.40426%0.26SS..G310 helixtrans-55.2-21.4174.963.1176.9177.21690115L735 I774 T779L735-K776 PolarHBondContact O-NZ 3.3Å; I774-K776 PolarHBondContact O-N 2.91Å; K776-T779 PolarHBondContact O-OG1 3.09Å
777Y92.1Very high86.1Confident22 Ų2241.2 Ų41.29%0.08624%0.244CC..G310 helixtrans-88.4-18.1179.7-61.8-58.2000113.3L735 I744 L748 I774 S775 T779 V780 L786 G787L735-Y777 HydrophobicContact CD2-CE2 3.83Å; L735-Y777 PolarHBondContact O-OH 3.38Å; I744-Y777 HydrophobicContact CD1-CE1 3.86Å; I744-Y777 HydrophobicContact CG1-CE1 4.35Å; I744-Y777 HydrophobicContact CG2-CD1 3.86Å; I744-Y777 HydrophobicContact CG2-CD2 4.27Å; I744-Y777 HydrophobicContact CG2-CE1 3.72Å; I744-Y777 HydrophobicContact CG2-CE2 4.16Å; I744-Y777 HydrophobicContact CG2-CG 4.13Å; L748-Y777 HydrophobicContact CD2-CD2 4.41Å; I774-Y777 HydrophobicContact CB-CD2 4.23Å; I774-Y777 WeakPolarHBondContact O-CB 3.38Å; I774-Y777 WeakPolarHBondContact O-CD2 3.38Å; I774-Y777 PolarHBondContact O-N 2.93Å; S775-Y777 PolarHBondContact O-N 2.9Å; S775-Y777 VanDerWaalsContact O-N 3.08Å; Y777-T779 PolarHBondContact O-N 3.48Å; Y777-V780 HydrophobicContact CD1-CG2 4.5Å; Y777-V780 WeakPolarHBondContact O-CB 3.47Å; Y777-V780 WeakPolarHBondContact O-CG2 3.47Å; Y777-V780 PolarHBondContact O-N 3.2Å; Y777-V780 VanDerWaalsContact O-N 3.13Å; Y777-L786 HydrophobicContact CD1-CD2 4.08Å; Y777-L786 HydrophobicContact CG-CD2 4.17Å; Y777-G787 WeakPolarHBondContact O-CA 3.31Å
778S90.2Very high87Confident28 Ų2844.1 Ų44.120%0.19626%0.256CS..THydrogen-bonded Turntrans-64.8-19.5-17866.90000114.4S775 C790 Q791S775-S778 WeakPolarHBondContact O-CB 3.11Å; S775-S778 PolarHBondContact O-N 3.4Å; S775-S778 PolarHBondContact O-OG 3.36Å; S778-C790 PolarHBondContact N-SG 2.87Å; S778-Q791 PolarHBondContact O-NE2 3.01Å
779T89.1Confident88Confident117 Ų11743.7 Ų43.772%0.71825%0.254SS*.THydrogen-bonded Turntrans-97.8-0.1179.255.30000113.4K776 Y777 S781K776-T779 PolarHBondContact O-OG1 3.09Å; Y777-T779 PolarHBondContact O-N 3.48Å; T779-S781 PolarHBondContact O-N 3.1Å
780V89.5Confident88.9Confident39 Ų3943.5 Ų43.524%0.23625%0.252CS..  trans-74.9109.6-179.4176.30000110.3Y777 E782 L786 G787Y777-V780 HydrophobicContact CD1-CG2 4.5Å; Y777-V780 WeakPolarHBondContact O-CB 3.47Å; Y777-V780 WeakPolarHBondContact O-CG2 3.47Å; Y777-V780 PolarHBondContact O-N 3.2Å; Y777-V780 VanDerWaalsContact O-N 3.13Å; V780-E782 WeakPolarHBondContact CG1-O 3.39Å; V780-L786 HydrophobicContact CB-CD2 4.01Å; V780-L786 HydrophobicContact CG1-CB 4.47Å; V780-L786 HydrophobicContact CG1-CD1 4.46Å; V780-L786 HydrophobicContact CG1-CD2 4.19Å; V780-L786 HydrophobicContact CG2-CD2 4.21Å; V780-G787 PolarHBondContact O-N 3.13Å
781S83.6Confident89.3Confident95 Ų9548.8 Ų48.866%0.66428%0.276SS*.  trans-77.7-27.7179.753.40000114.4T779 S784T779-S781 PolarHBondContact O-N 3.1Å; S781-S784 VanDerWaalsContact O-CA 3.24Å; S781-S784 WeakPolarHBondContact O-CA 3.48Å; S781-S784 PolarHBondContact O-N 3.41Å; S781-S784 VanDerWaalsContact O-N 3.14Å
782E84.9Confident89.8Confident142 Ų14248.9 Ų48.966%0.66427%0.274SS*.SBendtrans-131.5122.8-177-69.6-163.3164.600113.3K741 V780K741-E782 WeakPolarHBondContact CD-O 3.28Å; K741-E782 WeakPolarHBondContact CE-O 3.45Å; K741-E782 PolarHBondContact NZ-O 3.15Å; V780-E782 WeakPolarHBondContact CG1-O 3.39Å
783P87.3Confident90.6Very high53 Ų5346.9 Ų46.934%0.34426%0.26SS..SBendcis-72.4139.7-9.333.5-34.4000110.3K785 L786P783-K785 HydrophobicContact CB-CG 4.15Å; P783-K785 HydrophobicContact CG-CG 4.15Å; P783-K785 PolarHBondContact O-N 3.47Å; P783-K785 VanDerWaalsContact O-N 3.1Å; P783-L786 HydrophobicContact CG-CB 4.42Å; P783-L786 WeakPolarHBondContact O-CB 3.41Å; P783-L786 PolarHBondContact O-N 3.07Å
784S87.8Confident91Very high64 Ų6448.3 Ų48.345%0.44827%0.267SS..Hα-helixtrans-55.8-35.5-171.472.50000113.5S781 L786 G787 E788S781-S784 VanDerWaalsContact O-CA 3.24Å; S781-S784 WeakPolarHBondContact O-CA 3.48Å; S781-S784 PolarHBondContact O-N 3.41Å; S781-S784 VanDerWaalsContact O-N 3.14Å; S784-L786 PolarHBondContact O-N 3.42Å; S784-G787 PolarHBondContact O-N 2.93Å; S784-E788 WeakPolarHBondContact CB-OE1 3.4Å; S784-E788 WeakPolarHBondContact O-CG 3.32Å; S784-E788 PolarHBondContact O-N 3.31Å; S784-E788 PolarHBondContact OG-OE1 3.08Å
785K92.1Very high91.1Very high56 Ų5654 Ų5424%0.24329%0.292CS..Hα-helixtrans-48.5-28.3173.972172.8-170.21620114.6Y534 E742 F745 P783 C789Y534-K785 HydrophobicContact CE1-CB 3.9Å; Y534-K785 WeakPolarHBondContact OH-CA 3.47Å; Y534-K785 WeakPolarHBondContact OH-CB 3.16Å; E742-K785 IonicContact OE2-NZ 3.92Å; E742-K785 PolarHBondContact OE2-NZ 2.96Å; F745-K785 HydrophobicContact CD1-CD 4.21Å; F745-K785 VanDerWaalsContact CD1-NZ 3.31Å; F745-K785 HydrophobicContact CD2-CB 4.37Å; F745-K785 HydrophobicContact CD2-CD 4.03Å; F745-K785 HydrophobicContact CD2-CG 3.88Å; F745-K785 HydrophobicContact CE1-CD 4Å; F745-K785 HydrophobicContact CE2-CB 3.91Å; F745-K785 HydrophobicContact CE2-CD 3.81Å; F745-K785 HydrophobicContact CE2-CG 3.82Å; F745-K785 WeakPolarHBondContact CE2-O 3.32Å; F745-K785 HydrophobicContact CG-CD 4.22Å; F745-K785 HydrophobicContact CG-CG 4.43Å; F745-K785 HydrophobicContact CZ-CB 4.49Å; F745-K785 HydrophobicContact CZ-CD 3.8Å; F745-K785 HydrophobicContact CZ-CG 4.33Å; P783-K785 HydrophobicContact CB-CG 4.15Å; P783-K785 HydrophobicContact CG-CG 4.15Å; P783-K785 PolarHBondContact O-N 3.47Å; P783-K785 VanDerWaalsContact O-N 3.1Å; K785-C789 WeakPolarHBondContact O-CB 3.46Å; K785-C789 PolarHBondContact O-N 3.02Å
786L92.8Very high91.2Very high2 Ų254 Ų541%0.0129%0.286CS..Hα-helixtrans-73.9-51179.5-164163.6000110.5K741 I744 L748 Y777 V780 P783 S784 C790K741-L786 HydrophobicContact CB-CD1 3.9Å; K741-L786 HydrophobicContact CG-CD1 4.32Å; K741-L786 WeakPolarHBondContact O-CD1 3.4Å; I744-L786 HydrophobicContact CB-CD1 4.26Å; I744-L786 HydrophobicContact CG2-CD1 3.98Å; I744-L786 HydrophobicContact CG2-CD2 4.11Å; I744-L786 HydrophobicContact CG2-CG 4.21Å; L748-L786 HydrophobicContact CD1-CD2 3.88Å; L748-L786 HydrophobicContact CD1-CG 4.15Å; Y777-L786 HydrophobicContact CD1-CD2 4.08Å; Y777-L786 HydrophobicContact CG-CD2 4.17Å; V780-L786 HydrophobicContact CB-CD2 4.01Å; V780-L786 HydrophobicContact CG1-CB 4.47Å; V780-L786 HydrophobicContact CG1-CD1 4.46Å; V780-L786 HydrophobicContact CG1-CD2 4.19Å; V780-L786 HydrophobicContact CG2-CD2 4.21Å; P783-L786 HydrophobicContact CG-CB 4.42Å; P783-L786 WeakPolarHBondContact O-CB 3.41Å; P783-L786 PolarHBondContact O-N 3.07Å; S784-L786 PolarHBondContact O-N 3.42Å; L786-C790 WeakPolarHBondContact O-CB 3.35Å; L786-C790 PolarHBondContact O-N 3.43Å
787G92.1Very high91Very high2 Ų250.5 Ų50.52%0.02127%0.271CS..Hα-helixtrans-63.1-45.8174.800000112.3Y777 V780 S784 C790 Q791Y777-G787 WeakPolarHBondContact O-CA 3.31Å; V780-G787 PolarHBondContact O-N 3.13Å; S784-G787 PolarHBondContact O-N 2.93Å; G787-C790 PolarHBondContact O-N 3.02Å; G787-Q791 VanDerWaalsContact O-CG 3.29Å; G787-Q791 WeakPolarHBondContact O-CG 3.32Å; G787-Q791 PolarHBondContact O-N 3.17Å
788E94.7Very high90.5Very high76 Ų7658.4 Ų58.436%0.35531%0.309SS..Hα-helixtrans-59.6-48.5177.1-66.5165.7-143.200112.3Y534 S784 C790 Q791 L792Y534-E788 HydrophobicContact CE2-CB 3.82Å; Y534-E788 PolarHBondContact OH-OE2 2.92Å; S784-E788 WeakPolarHBondContact CB-OE1 3.4Å; S784-E788 WeakPolarHBondContact O-CG 3.32Å; S784-E788 PolarHBondContact O-N 3.31Å; S784-E788 PolarHBondContact OG-OE1 3.08Å; E788-C790 VanDerWaalsContact C-N 3.35Å; E788-C790 PolarHBondContact O-N 2.91Å; E788-Q791 PolarHBondContact O-N 3.17Å; E788-L792 PolarHBondContact O-N 3.4Å; E788-L792 VanDerWaalsContact O-N 3.08Å
789C95.6Very high90.5Very high0 Ų059.9 Ų59.90%031%0.314CS..Hα-helixtrans-62.6-42.3176.4-175.60000111.1Y534 F745 K785 Q791 L792 V793Y534-C789 HydrophobicContact CD2-CB 3.8Å; Y534-C789 HydrophobicContact CE2-CB 4.26Å; Y534-C789 HydrophobicContact CG-CB 3.96Å; F745-C789 HydrophobicContact CD2-CB 4.21Å; F745-C789 HydrophobicContact CE2-CB 3.96Å; K785-C789 WeakPolarHBondContact O-CB 3.46Å; K785-C789 PolarHBondContact O-N 3.02Å; C789-Q791 PolarHBondContact O-N 3.22Å; C789-L792 PolarHBondContact O-N 2.94Å; C789-V793 WeakPolarHBondContact O-CG2 3.5Å; C789-V793 PolarHBondContact O-N 2.85Å
790C95.3Very high90.6Very high0 Ų056.9 Ų56.90%029%0.293CS..Hα-helixtrans-60.8-43.1176.7-1750000112.1L748 I774 S778 L786 G787 E788 L792 V793 L794L748-C790 HydrophobicContact CD1-CB 4Å; L748-C790 HydrophobicContact CD2-CB 4.36Å; I774-C790 PolarHBondContact O-SG 3.39Å; S778-C790 PolarHBondContact N-SG 2.87Å; L786-C790 WeakPolarHBondContact O-CB 3.35Å; L786-C790 PolarHBondContact O-N 3.43Å; G787-C790 PolarHBondContact O-N 3.02Å; E788-C790 VanDerWaalsContact C-N 3.35Å; E788-C790 PolarHBondContact O-N 2.91Å; C790-L792 VanDerWaalsContact C-N 3.3Å; C790-L792 PolarHBondContact O-N 3.47Å; C790-V793 PolarHBondContact O-N 3.04Å; C790-L794 WeakPolarHBondContact O-CB 3.45Å; C790-L794 VanDerWaalsContact O-CG 3.23Å; C790-L794 WeakPolarHBondContact O-CG 3.36Å; C790-L794 PolarHBondContact O-N 3.49Å
791Q94.8Very high90.6Very high113 Ų11357.9 Ų57.953%0.52830%0.296SS..Hα-helixtrans-62.9-36.9177.6-71.617115.500111.9S778 G787 E788 C789 K795S778-Q791 PolarHBondContact O-NE2 3.01Å; G787-Q791 VanDerWaalsContact O-CG 3.29Å; G787-Q791 WeakPolarHBondContact O-CG 3.32Å; G787-Q791 PolarHBondContact O-N 3.17Å; E788-Q791 PolarHBondContact O-N 3.17Å; C789-Q791 PolarHBondContact O-N 3.22Å; Q791-K795 WeakPolarHBondContact O-CB 3.39Å; Q791-K795 PolarHBondContact O-N 3.07Å; Q791-K795 VanDerWaalsContact O-N 3.1Å
792L95.1Very high91Very high18 Ų1855.7 Ų55.79%0.09428%0.275CS..Hα-helixtrans-68.6-43.4174.5-73.6162.5000112.2N532 Y534 F535 E788 C789 C790 L794 K795 E796N532-L792 HydrophobicContact CB-CD1 4.35Å; N532-L792 HydrophobicContact CB-CD2 4.22Å; Y534-L792 HydrophobicContact CD2-CD1 3.74Å; Y534-L792 HydrophobicContact CE2-CD1 4.16Å; F535-L792 HydrophobicContact CE1-CB 3.86Å; F535-L792 HydrophobicContact CZ-CB 3.98Å; E788-L792 PolarHBondContact O-N 3.4Å; E788-L792 VanDerWaalsContact O-N 3.08Å; C789-L792 PolarHBondContact O-N 2.94Å; C790-L792 VanDerWaalsContact C-N 3.3Å; C790-L792 PolarHBondContact O-N 3.47Å; L792-L794 VanDerWaalsContact C-N 3.34Å; L792-L794 PolarHBondContact O-N 2.95Å; L792-K795 WeakPolarHBondContact O-CB 3.4Å; L792-K795 PolarHBondContact O-N 3.19Å; L792-E796 PolarHBondContact O-N 3.3Å
793V94.4Very high91.4Very high1 Ų150.3 Ų50.31%0.00625%0.25CS..Hα-helixtrans-62-42.5174.4-179.30000110.9F535 L748 L751 I774 C789 C790 K795 E796 L797F535-V793 HydrophobicContact CD1-CG2 4.19Å; F535-V793 HydrophobicContact CE1-CB 4.44Å; F535-V793 HydrophobicContact CE1-CG2 3.45Å; F535-V793 VanDerWaalsContact CE1-CG2 3.45Å; F535-V793 HydrophobicContact CZ-CB 4.41Å; F535-V793 HydrophobicContact CZ-CG2 3.79Å; L748-V793 WeakPolarHBondContact O-CG2 3.32Å; L751-V793 HydrophobicContact CB-CG1 4.32Å; I774-V793 HydrophobicContact CD1-CB 3.85Å; I774-V793 HydrophobicContact CD1-CG1 3.5Å; C789-V793 WeakPolarHBondContact O-CG2 3.5Å; C789-V793 PolarHBondContact O-N 2.85Å; C790-V793 PolarHBondContact O-N 3.04Å; V793-K795 PolarHBondContact O-N 2.94Å; V793-E796 PolarHBondContact O-N 2.83Å; V793-L797 HydrophobicContact CG1-CD1 4.17Å; V793-L797 WeakPolarHBondContact O-CG 3.23Å; V793-L797 PolarHBondContact O-N 3.48Å
794L92.3Very high91.7Very high36 Ų3650.1 Ų50.119%0.18824%0.244CC..Hα-helixtrans-60.2-33.5176.2-73.7169.9000112.7G771 I774 C790 L792 L797 Q798G771-L794 WeakPolarHBondContact O-CD2 3.37Å; I774-L794 HydrophobicContact CD1-CD2 4.15Å; I774-L794 HydrophobicContact CD1-CG 4.2Å; I774-L794 HydrophobicContact CG1-CD2 3.87Å; I774-L794 HydrophobicContact CG1-CG 4.26Å; C790-L794 WeakPolarHBondContact O-CB 3.45Å; C790-L794 VanDerWaalsContact O-CG 3.23Å; C790-L794 WeakPolarHBondContact O-CG 3.36Å; C790-L794 PolarHBondContact O-N 3.49Å; L792-L794 VanDerWaalsContact C-N 3.34Å; L792-L794 PolarHBondContact O-N 2.95Å; L794-L797 PolarHBondContact O-N 3.09Å; L794-Q798 WeakPolarHBondContact O-CG 3.43Å
795K92Very high92Very high121 Ų12149.1 Ų49.153%0.52623%0.229SC..Hα-helixtrans-72.7-33178.3-175.6-177.2171.9-169.40113Q791 L792 V793 L797Q791-K795 WeakPolarHBondContact O-CB 3.39Å; Q791-K795 PolarHBondContact O-N 3.07Å; Q791-K795 VanDerWaalsContact O-N 3.1Å; L792-K795 WeakPolarHBondContact O-CB 3.4Å; L792-K795 PolarHBondContact O-N 3.19Å; V793-K795 PolarHBondContact O-N 2.94Å; K795-L797 PolarHBondContact O-N 3.26Å
796E90.1Very high92Very high57 Ų5748.6 Ų48.627%0.26623%0.228SC..Hα-helixtrans-71.2-15.8171.6-63.3-71.2139.200112.9F535 V755 Q762 L792 V793F535-E796 HydrophobicContact CE2-CG 3.83Å; F535-E796 HydrophobicContact CZ-CG 4.07Å; V755-E796 HydrophobicContact CG2-CB 4.15Å; Q762-E796 VanDerWaalsContact CG-O 3.27Å; Q762-E796 WeakPolarHBondContact CG-O 3.23Å; Q762-E796 PolarHBondContact NE2-O 2.8Å; Q762-E796 PolarHBondContact NE2-OE2 3.23Å; L792-E796 PolarHBondContact O-N 3.3Å; V793-E796 PolarHBondContact O-N 2.83Å
797L86.5Confident91.9Very high18 Ų1852.5 Ų52.59%0.09425%0.246CC..THydrogen-bonded Turntrans-101.913.2-179.9-62.4178000113.1V755 A765 R766 V770 V793 L794 K795V755-L797 HydrophobicContact CB-CD2 4.39Å; V755-L797 HydrophobicContact CG1-CD2 4.23Å; V755-L797 HydrophobicContact CG2-CD2 4.18Å; A765-L797 HydrophobicContact CB-CD2 3.54Å; R766-L797 WeakPolarHBondContact CD-O 3.48Å; V770-L797 HydrophobicContact CB-CD1 4.4Å; V770-L797 HydrophobicContact CG1-CD1 4.25Å; V793-L797 HydrophobicContact CG1-CD1 4.17Å; V793-L797 WeakPolarHBondContact O-CG 3.23Å; V793-L797 PolarHBondContact O-N 3.48Å; L794-L797 PolarHBondContact O-N 3.09Å; K795-L797 PolarHBondContact O-N 3.26Å
798Q80.1Confident91.9Very high188 Ų18857.1 Ų57.188%0.87927%0.267SS*.  trans-99.70174.7-77.1173.38.400110.5R766 L794R766-Q798 PolarHBondContact NH1-O 3.09Å; L794-Q798 WeakPolarHBondContact O-CG 3.43Å

Retrieved 798 of 798 residues in 338.2 ms (Link to these results)

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