X5J5E1_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 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
1G60.6Low90.2Very high91 Ų9169.5 Ų69.594%0.93845%0.447SS*.  0159.6000000110.5T101 L102G1-T101 WeakPolarHBondContact CA-OG1 3.39Å; G1-T101 PolarHBondContact N-OG1 3.18Å; G1-T101 VanDerWaalsContact N-OG1 3.1Å; G1-L102 CarbonylContact C-O 3.56Å; G1-L102 WeakPolarHBondContact CA-O 3.21Å
2G82.2Confident90.8Very high16 Ų1664.6 Ų64.617%0.16541%0.414CS..EExtended strand (participates in β ladder)trans-141.7130.8-17900000111.4L102 T104G2-L102 PolarHBondContact N-O 3.31Å; G2-L102 VanDerWaalsContact N-O 3.12Å; G2-T104 PolarHBondContact O-N 3.5Å
3L88.9Confident91.3Very high127 Ų12766.2 Ų66.267%0.66543%0.428SS*.EExtended strand (participates in β ladder)trans-90.6125.4167.3177.963.9000108.2T104 S106L3-T104 WeakPolarHBondContact CA-O 3.35Å; L3-T104 HydrophobicContact CD1-CG2 3.82Å; L3-S106 WeakPolarHBondContact CD1-OG 3.43Å
4V92.2Very high91.7Very high20 Ų2062.7 Ų62.712%0.12141%0.406CS..EExtended strand (participates in β ladder)trans-136.1144-176.8-165.60000109.5L10 L78 T104 V105 S106V4-L10 HydrophobicContact CG2-CB 4.17Å; V4-L10 HydrophobicContact CG2-CD1 4.45Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; V4-L78 HydrophobicContact CB-CD1 3.97Å; V4-L78 HydrophobicContact CG1-CD1 3.93Å; V4-L78 HydrophobicContact CG2-CD1 4.05Å; V4-T104 PolarHBondContact N-O 2.73Å; V4-V105 VanDerWaalsContact O-CA 3.26Å; V4-V105 WeakPolarHBondContact O-CA 3.31Å; V4-S106 PolarHBondContact O-N 3.02Å
5K93.1Very high92Very high145 Ų14563.7 Ų63.763%0.6342%0.422SS*.  trans-74.4152171.8-67.3-173.4175.5-173.40110.9G7 G8K5-G7 PolarHBondContact O-N 3.47Å; K5-G8 WeakPolarHBondContact O-CA 3.27Å; K5-G8 PolarHBondContact O-N 2.85Å
6P94.8Very high92.1Very high66 Ų6660.7 Ų60.743%0.42940%0.403SS..THydrogen-bonded Turntrans-50.3138.2169.9-26.634.3000112G8 V105P6-G8 PolarHBondContact O-N 2.75Å; P6-V105 HydrophobicContact CB-CG1 4.48Å; P6-V105 HydrophobicContact CG-CG1 4.16Å
7G94.1Very high92.1Very high53 Ų5363.2 Ų63.255%0.54642%0.423SS..THydrogen-bonded Turntrans81-10.4-173.300000114.7K5 L78K5-G7 PolarHBondContact O-N 3.47Å; G7-L78 PolarHBondContact N-O 2.95Å
8G95.4Very high92Very high22 Ų2264.7 Ų64.723%0.22745%0.451CS..  trans-71.2177.3177.100000113.7K5 P6 S77 L78K5-G8 WeakPolarHBondContact O-CA 3.27Å; K5-G8 PolarHBondContact O-N 2.85Å; P6-G8 PolarHBondContact O-N 2.75Å; G8-S77 PolarHBondContact O-N 3.42Å; G8-L78 WeakPolarHBondContact O-CB 3.34Å; G8-L78 PolarHBondContact O-N 3.16Å
9S96.6Very high91.9Very high70 Ų7064.2 Ų64.249%0.4944%0.44SS..  trans-128.7149.4179.4-59.30000111.4M75S9-M75 CarbonylContact C-O 3.57Å; S9-M75 WeakPolarHBondContact CA-O 3.4Å; S9-M75 WeakPolarHBondContact CB-O 3.41Å
10L96.4Very high92Very high38 Ų3864.8 Ų64.820%0.19944%0.441CS..EExtended strand (participates in β ladder)trans-142.1149.6177.4-17562.9000109.6V4 L12 M75 L78 V103V4-L10 HydrophobicContact CG2-CB 4.17Å; V4-L10 HydrophobicContact CG2-CD1 4.45Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; L10-L12 HydrophobicContact CD2-CD2 3.68Å; L10-L12 HydrophobicContact CG-CD2 4.08Å; L10-M75 PolarHBondContact N-O 2.83Å; L10-M75 PolarHBondContact O-N 3.13Å; L10-L78 HydrophobicContact CB-CD1 3.99Å; L10-V103 HydrophobicContact CD2-CG1 3.95Å; L10-V103 HydrophobicContact CD2-CG2 3.8Å
11K97.5Very high92.1Very high117 Ų11761.7 Ų61.751%0.50942%0.42SS..EExtended strand (participates in β ladder)trans-117.5119.5169.4-171.3174.6179.2177.40109.7L73K11-L73 WeakPolarHBondContact CA-O 3.41Å
12L97.8Very high93.7Very high10 Ų1059.5 Ų59.55%0.05239%0.39CS..EExtended strand (participates in β ladder)trans-90.1149.9170.3-54.6-176.7000110L10 W28 Y72 L73 M75 Y86 T101 V103L10-L12 HydrophobicContact CD2-CD2 3.68Å; L10-L12 HydrophobicContact CG-CD2 4.08Å; L12-W28 HydrophobicContact CB-CH2 3.72Å; L12-W28 HydrophobicContact CB-CZ2 3.94Å; L12-W28 HydrophobicContact CB-CZ3 4.32Å; L12-W28 HydrophobicContact CD1-CE3 4.4Å; L12-W28 HydrophobicContact CD1-CH2 4.23Å; L12-W28 HydrophobicContact CD1-CZ3 3.98Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.89Å; L12-L73 PolarHBondContact O-N 3.07Å; L12-M75 HydrophobicContact CD1-SD 3.83Å; L12-M75 HydrophobicContact CG-SD 3.91Å; L12-Y86 HydrophobicContact CD1-CD1 4.13Å; L12-Y86 HydrophobicContact CD1-CD2 4.46Å; L12-Y86 HydrophobicContact CD1-CG 3.84Å; L12-T101 HydrophobicContact CD1-CG2 3.86Å; L12-T101 HydrophobicContact CD2-CG2 3.88Å; L12-T101 HydrophobicContact CG-CG2 4.39Å; L12-V103 HydrophobicContact CD1-CG2 4.13Å; L12-V103 HydrophobicContact CD2-CG2 3.94Å
13S97.4Very high94.2Very high85 Ų8563.6 Ų63.659%0.59441%0.408SS*.EExtended strand (participates in β ladder)trans-133.6142.7173.757.80000110L71S13-L71 CarbonylContact C-O 3.56Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.41Å
14C96.4Very high94.5Very high18 Ų1861.2 Ų61.212%0.12239%0.391CS..EExtended strand (participates in β ladder)trans-133.6117.8173.8166.80000109.2W28 N70 L71 C88C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; C14-N70 WeakPolarHBondContact O-CA 3.3Å; C14-L71 HydrophobicContact CB-CB 4.33Å; C14-L71 PolarHBondContact N-O 2.94Å; C14-L71 PolarHBondContact O-N 3Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.33Å; C14-C88 WeakPolarHBondContact SG-CB 2.95Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.27Å
15A96.1Very high94.6Very high77 Ų7764.3 Ų64.364%0.63640%0.401SS*.EExtended strand (participates in β ladder)trans-86.9124.4174.800000109.7N70A15-N70 WeakPolarHBondContact CA-OD1 3.41Å; A15-N70 WeakPolarHBondContact CB-OD1 3.48Å
16A93.3Very high94.8Very high16 Ų1657.7 Ų57.713%0.13237%0.372CS..  trans-90.9141.5176.300000110.8F19 F21 N69A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.32Å; A16-F19 HydrophobicContact CB-CZ 3.53Å; A16-F21 HydrophobicContact CB-CB 4.38Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.01Å; A16-F21 HydrophobicContact CB-CG 4.21Å; A16-N69 HydrophobicContact CB-CB 4.36Å; A16-N69 WeakPolarHBondContact CB-O 3.24Å; A16-N69 PolarHBondContact N-O 3.44Å
17S92.5Very high94.8Very high104 Ų10456.1 Ų56.173%0.72736%0.358SS*.  trans-147.3157.6175.160.60000110F19S17-F19 VanDerWaalsContact O-CD1 3.3Å; S17-F19 WeakPolarHBondContact O-CD1 3.46Å
18G91.1Very high95Very high90 Ų9053.8 Ų53.893%0.92833%0.333SS*.SBendtrans826.3178.600000115.5
19F89.9Confident95Very high55 Ų5553 Ų5324%0.24132%0.324CS..SBendtrans-157.4163.2173.864-82.7000112.1A16 S17 F21 Y24 M26 R90A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.32Å; A16-F19 HydrophobicContact CB-CZ 3.53Å; S17-F19 VanDerWaalsContact O-CD1 3.3Å; S17-F19 WeakPolarHBondContact O-CD1 3.46Å; F19-F21 HydrophobicContact CE2-CB 4.27Å; F19-F21 HydrophobicContact CE2-CD2 4.09Å; F19-F21 HydrophobicContact CZ-CD2 4.24Å; F19-F21 PolarHBondContact O-N 3.14Å; F19-F21 VanDerWaalsContact O-N 3.13Å; F19-Y24 AromaticContact CD2-CD2 3.86Å; F19-Y24 HydrophobicContact CD2-CD2 3.86Å; F19-Y24 HydrophobicContact CD2-CE2 4.21Å; F19-Y24 HydrophobicContact CE2-CD2 4.34Å; F19-M26 HydrophobicContact CE2-SD 4.26Å; F19-M26 HydrophobicContact CZ-CE 4.49Å; F19-M26 HydrophobicContact CZ-SD 4.3Å; F19-R90 VanDerWaalsContact CD2-CD 3.49Å; F19-R90 HydrophobicContact CE2-CG 4.04Å; F19-R90 HydrophobicContact CZ-CB 4.44Å; F19-R90 HydrophobicContact CZ-CG 4.29Å
20T93.1Very high95Very high76 Ų7650.3 Ų50.347%0.46630%0.303SS..  trans-72100.3170.7-50.20000109.8S22 D23 Y24T20-S22 WeakPolarHBondContact CG2-OG 3.42Å; T20-S22 PolarHBondContact O-N 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.34Å; T20-D23 HydrophobicContact CG2-CB 4.44Å; T20-D23 VanDerWaalsContact CG2-CG 3.43Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.26Å; T20-D23 VanDerWaalsContact CG2-OD2 3.28Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.21Å; T20-D23 PolarHBondContact O-N 2.83Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å
21F93.9Very high95.1Very high0 Ų051.6 Ų51.60%031%0.308CS..G310 helixtrans-58.9-34.3-174.1178.4-105.8000113.7A16 F19 D23 M26 R64 N66 N69 L71A16-F21 HydrophobicContact CB-CB 4.38Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.01Å; A16-F21 HydrophobicContact CB-CG 4.21Å; F19-F21 HydrophobicContact CE2-CB 4.27Å; F19-F21 HydrophobicContact CE2-CD2 4.09Å; F19-F21 HydrophobicContact CZ-CD2 4.24Å; F19-F21 PolarHBondContact O-N 3.14Å; F19-F21 VanDerWaalsContact O-N 3.13Å; F21-D23 PolarHBondContact O-N 3Å; F21-M26 HydrophobicContact CD2-CE 4.38Å; F21-M26 HydrophobicContact CD2-CG 4.19Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.72Å; F21-M26 HydrophobicContact CZ-CG 3.95Å; F21-R64 HydrophobicContact CE1-CB 4.03Å; F21-R64 HydrophobicContact CZ-CB 4.13Å; F21-R64 PolarHBondContact O-NH2 2.78Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.48Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.37Å; F21-N69 HydrophobicContact CB-CB 3.99Å; F21-N69 VanDerWaalsContact CB-OD1 3.29Å; F21-N69 WeakPolarHBondContact CB-OD1 3.41Å; F21-N69 HydrophobicContact CG-CB 4.26Å; F21-L71 HydrophobicContact CE2-CB 4.32Å; F21-L71 HydrophobicContact CZ-CB 4.14Å; F21-L71 HydrophobicContact CZ-CD1 4.47Å
22S94.9Very high94.9Very high45 Ų4546.8 Ų46.832%0.31529%0.288SS..G310 helixtrans-70.4-7179.855.20000115.2T20 D45T20-S22 WeakPolarHBondContact CG2-OG 3.42Å; T20-S22 PolarHBondContact O-N 3.25Å; S22-D45 WeakPolarHBondContact O-CB 3.25Å
23D93.6Very high94.6Very high101 Ų10150.5 Ų50.554%0.5431%0.313SS..G310 helixtrans-95.4-2.7-176.4-61.9-5.8000112.4T20 F21T20-D23 WeakPolarHBondContact CB-OD2 3.34Å; T20-D23 HydrophobicContact CG2-CB 4.44Å; T20-D23 VanDerWaalsContact CG2-CG 3.43Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.26Å; T20-D23 VanDerWaalsContact CG2-OD2 3.28Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.21Å; T20-D23 PolarHBondContact O-N 2.83Å; F21-D23 PolarHBondContact O-N 3Å
24Y93.6Very high94.4Very high77 Ų7753.6 Ų53.630%0.30232%0.318SS..SBendtrans-132.1148.3-169.3-61.6-92.3000113.4F19 T20 D45 R64 R90 D91F19-Y24 AromaticContact CD2-CD2 3.86Å; F19-Y24 HydrophobicContact CD2-CD2 3.86Å; F19-Y24 HydrophobicContact CD2-CE2 4.21Å; F19-Y24 HydrophobicContact CE2-CD2 4.34Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å; Y24-D45 WeakPolarHBondContact O-CA 3.49Å; Y24-R64 PolarHBondContact O-NH1 2.84Å; Y24-R90 HydrophobicContact CD1-CG 3.96Å; Y24-R90 VanDerWaalsContact CD1-CZ 3.46Å; Y24-R90 VanDerWaalsContact CD1-NE 3.33Å; Y24-R90 HydrophobicContact CD2-CG 4.46Å; Y24-R90 HydrophobicContact CG-CG 3.69Å; Y24-R90 VanDerWaalsContact CZ-NH2 3.35Å; Y24-R90 PolarHBondContact OH-NH1 3.06Å; Y24-R90 PolarHBondContact OH-NH2 2.94Å; Y24-D91 WeakPolarHBondContact CD1-O 3.3Å
25Y95.4Very high94Very high86 Ų8660.8 Ų60.834%0.33735%0.347SS..  trans-66.4143162-79.7-125000109.4Y27 T42 I43 D45 Y49 D91Y25-Y27 HydrophobicContact CD1-CE1 4.45Å; Y25-T42 HydrophobicContact CD1-CG2 3.94Å; Y25-I43 WeakPolarHBondContact CA-O 3.47Å; Y25-D45 WeakPolarHBondContact CE2-OD1 3.33Å; Y25-Y49 HydrophobicContact CE1-CD1 4.28Å; Y25-D91 PolarHBondContact O-N 3.32Å
26M96.2Very high93.8Very high5 Ų564.8 Ų64.83%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-127.3146.1-177.4-63.3-60-51.100110.5F19 F21 I43 L71 A89 R90F19-M26 HydrophobicContact CE2-SD 4.26Å; F19-M26 HydrophobicContact CZ-CE 4.49Å; F19-M26 HydrophobicContact CZ-SD 4.3Å; F21-M26 HydrophobicContact CD2-CE 4.38Å; F21-M26 HydrophobicContact CD2-CG 4.19Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.72Å; F21-M26 HydrophobicContact CZ-CG 3.95Å; M26-I43 HydrophobicContact CB-CG2 3.86Å; M26-I43 PolarHBondContact N-O 2.86Å; M26-I43 PolarHBondContact O-N 3.5Å; M26-L71 HydrophobicContact CB-CD1 3.67Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.37Å; M26-L71 HydrophobicContact CE-CD2 4.31Å; M26-L71 HydrophobicContact CG-CD1 4.43Å; M26-A89 WeakPolarHBondContact CE-O 3.43Å; M26-R90 HydrophobicContact CE-CB 4.14Å; M26-R90 HydrophobicContact SD-CB 3.86Å; M26-R90 HydrophobicContact SD-CG 3.69Å
27Y95.9Very high93.8Very high34 Ų3468.8 Ų68.813%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-134.9146.2-163.7-48.6-40.8000110.7Y25 W39 A41 T42 C88 A89 D91Y25-Y27 HydrophobicContact CD1-CE1 4.45Å; Y27-W39 VanDerWaalsContact CB-CH2 3.41Å; Y27-W39 VanDerWaalsContact CB-CZ3 3.41Å; Y27-W39 AromaticContact CD1-CH2 2.93Å; Y27-W39 HydrophobicContact CD1-CH2 2.93Å; Y27-W39 AromaticContact CD1-CZ2 3.87Å; Y27-W39 HydrophobicContact CD1-CZ2 3.87Å; Y27-W39 AromaticContact CD1-CZ3 3.51Å; Y27-W39 HydrophobicContact CD1-CZ3 3.51Å; Y27-W39 AromaticContact CD2-CH2 3.74Å; Y27-W39 HydrophobicContact CD2-CH2 3.74Å; Y27-W39 AromaticContact CD2-CZ2 3.88Å; Y27-W39 HydrophobicContact CD2-CZ2 3.88Å; Y27-W39 AromaticContact CE1-CH2 3.4Å; Y27-W39 HydrophobicContact CE1-CH2 3.4Å; Y27-W39 VanDerWaalsContact CE1-CH2 3.4Å; Y27-W39 HydrophobicContact CE1-CZ2 4.12Å; Y27-W39 HydrophobicContact CE1-CZ3 4.33Å; Y27-W39 HydrophobicContact CE2-CH2 4.13Å; Y27-W39 HydrophobicContact CE2-CZ2 4.15Å; Y27-W39 AromaticContact CG-CH2 3.06Å; Y27-W39 HydrophobicContact CG-CH2 3.06Å; Y27-W39 AromaticContact CG-CZ2 3.68Å; Y27-W39 HydrophobicContact CG-CZ2 3.68Å; Y27-W39 AromaticContact CG-CZ3 3.62Å; Y27-W39 HydrophobicContact CG-CZ3 3.62Å; Y27-W39 AromaticContact CZ-CH2 3.96Å; Y27-A41 CarbonylContact C-O 3.6Å; Y27-A41 WeakPolarHBondContact CA-O 3.49Å; Y27-T42 HydrophobicContact CD1-CG2 3.83Å; Y27-T42 HydrophobicContact CE1-CG2 3.68Å; Y27-C88 CarbonylContact O-C 3.5Å; Y27-C88 VanDerWaalsContact O-CA 3.23Å; Y27-C88 WeakPolarHBondContact O-CA 3.35Å; Y27-A89 WeakPolarHBondContact CB-O 3.49Å; Y27-A89 HydrophobicContact CD2-CB 4.25Å; Y27-A89 PolarHBondContact N-O 3.35Å; Y27-A89 PolarHBondContact O-N 3.43Å; Y27-D91 HydrophobicContact CE2-CB 3.83Å; Y27-D91 VanDerWaalsContact CE2-N 3.27Å; Y27-D91 WeakPolarHBondContact OH-CB 3.36Å; Y27-D91 PolarHBondContact OH-OD1 2.99Å; Y27-D91 PolarHBondContact OH-OD2 3.23Å
28W97.5Very high93.9Very high4 Ų465.6 Ų65.62%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-109.9131.3157.2-77.597.1000109.2L12 C14 V40 A41 L71 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 3.72Å; L12-W28 HydrophobicContact CB-CZ2 3.94Å; L12-W28 HydrophobicContact CB-CZ3 4.32Å; L12-W28 HydrophobicContact CD1-CE3 4.4Å; L12-W28 HydrophobicContact CD1-CH2 4.23Å; L12-W28 HydrophobicContact CD1-CZ3 3.98Å; C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.4Å; W28-V40 WeakPolarHBondContact O-CA 3.13Å; W28-V40 WeakPolarHBondContact O-CB 3.27Å; W28-V40 PolarHBondContact O-N 3.44Å; W28-A41 PolarHBondContact N-O 3.18Å; W28-A41 PolarHBondContact O-N 2.9Å; W28-L71 HydrophobicContact CG-CD2 4.49Å; W28-L73 HydrophobicContact CB-CD2 4.2Å; W28-L73 HydrophobicContact CD2-CB 4.09Å; W28-L73 HydrophobicContact CD2-CD2 4.22Å; W28-L73 HydrophobicContact CG-CB 4.1Å; W28-L73 HydrophobicContact CG-CD1 4.36Å; W28-L73 HydrophobicContact CG-CD2 4Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CZ2-CB 4.33Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-Y87 VanDerWaalsContact CE3-C 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.33Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å
29V96.6Very high94.1Very high6 Ų666.7 Ų66.74%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-128.1144.6175.2-1760000107.3L37 E38 W39 Y87 W97V29-L37 HydrophobicContact CG1-CD2 4.14Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; V29-W39 HydrophobicContact CG2-CD2 4.13Å; V29-W39 HydrophobicContact CG2-CE3 4.37Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3Å; V29-W97 HydrophobicContact CB-CH2 3.89Å; V29-W97 HydrophobicContact CB-CZ3 3.54Å; V29-W97 HydrophobicContact CG1-CH2 3.71Å; V29-W97 HydrophobicContact CG1-CZ3 3.64Å; V29-W97 HydrophobicContact CG2-CH2 3.89Å; V29-W97 HydrophobicContact CG2-CZ3 3.93Å
30R96.8Very high94.5Very high13 Ų1364.1 Ų64.15%0.04930%0.303CS..EExtended strand (participates in β ladder)trans-120.3148174.171.8-177.5-177.7-177.66.1111.3L37 E38 V40 D82 A84 M85 Y86R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.33Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 3Å; R30-E38 PolarHBondContact N-O 3.45Å; R30-E38 IonicContact NE-OE2 3.46Å; R30-E38 PolarHBondContact NE-OE2 2.68Å; R30-E38 IonicContact NH2-OE2 2.84Å; R30-E38 PolarHBondContact NH2-OE2 3.21Å; R30-E38 PolarHBondContact O-N 2.96Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.61Å; R30-D82 IonicContact NH1-OD1 3.37Å; R30-D82 PolarHBondContact NH1-OD1 3.02Å; R30-A84 HydrophobicContact CB-CB 3.83Å; R30-A84 HydrophobicContact CG-CB 4.17Å; R30-M85 CarbonylContact C-O 3.46Å; R30-M85 WeakPolarHBondContact CA-O 3.45Å; R30-Y86 HydrophobicContact CB-CD1 3.83Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.16Å; R30-Y86 WeakPolarHBondContact CD-OH 3.2Å; R30-Y86 HydrophobicContact CG-CE1 4.4Å; R30-Y86 PolarHBondContact NH1-OH 3.02Å
31Q96.7Very high94.7Very high64 Ų6460.5 Ų60.530%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-109.2114.3169.1-172.1176.633.700108.7R36 L37 A84 M85 Y87Q31-R36 VanDerWaalsContact CA-O 3.31Å; Q31-R36 WeakPolarHBondContact CA-O 3.22Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 4.19Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; Q31-M85 HydrophobicContact CB-CB 4.41Å; Q31-M85 PolarHBondContact N-O 2.74Å; Q31-M85 PolarHBondContact O-N 3.2Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 3.14Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.13Å
32T94.8Very high94.9Very high16 Ų1661.2 Ų61.210%0.09829%0.285CS..  trans-69.6163.7178.376.80000110.8E34 K35 R36 E38T32-E34 WeakPolarHBondContact CB-OE2 3.27Å; T32-E34 PolarHBondContact O-N 2.91Å; T32-E34 VanDerWaalsContact O-N 3.16Å; T32-E34 PolarHBondContact OG1-N 2.93Å; T32-E34 PolarHBondContact OG1-OE2 3.48Å; T32-K35 WeakPolarHBondContact O-CA 2.86Å; T32-K35 PolarHBondContact O-N 2.78Å; T32-R36 HydrophobicContact CG2-CB 4.47Å; T32-R36 PolarHBondContact N-O 2.76Å; T32-R36 PolarHBondContact OG1-N 2.8Å; T32-E38 HydrophobicContact CG2-CG 4.29Å
33P91.4Very high95.1Very high89 Ų8959.3 Ų59.358%0.57827%0.272SS*.THydrogen-bonded Turntrans-54.6-30.1174.4-26.936.8000113.6K35 T83P33-K35 PolarHBondContact O-N 3.19Å; P33-T83 WeakPolarHBondContact CD-O 3.29Å
34E92.8Very high95.2Very high149 Ų14954.5 Ų54.570%0.69625%0.246SC*.THydrogen-bonded Turntrans-76.78.5174.9-52.870.5-148.800113T32 R36T32-E34 WeakPolarHBondContact CB-OE2 3.27Å; T32-E34 PolarHBondContact O-N 2.91Å; T32-E34 VanDerWaalsContact O-N 3.16Å; T32-E34 PolarHBondContact OG1-N 2.93Å; T32-E34 PolarHBondContact OG1-OE2 3.48Å; E34-R36 PolarHBondContact O-N 2.81Å
35K88.1Confident95.2Very high169 Ų16953.9 Ų53.974%0.73525%0.248SC*.  trans6617.2179.3-53-179.7179.4178.50114.7T32 P33T32-K35 WeakPolarHBondContact O-CA 2.86Å; T32-K35 PolarHBondContact O-N 2.78Å; P33-K35 PolarHBondContact O-N 3.19Å
36R91.6Very high94.9Very high161 Ų16152.4 Ų52.461%0.60826%0.258SS*.  trans-78.6127.8173.7-172.3-177.7-177.8-16510.8110.2Q31 T32 E34 E38Q31-R36 VanDerWaalsContact CA-O 3.31Å; Q31-R36 WeakPolarHBondContact CA-O 3.22Å; T32-R36 HydrophobicContact CG2-CB 4.47Å; T32-R36 PolarHBondContact N-O 2.76Å; T32-R36 PolarHBondContact OG1-N 2.8Å; E34-R36 PolarHBondContact O-N 2.81Å; R36-E38 WeakPolarHBondContact CD-OE1 3.47Å; R36-E38 HydrophobicContact CG-CG 4.02Å; R36-E38 IonicContact CZ-OE1 2.98Å; R36-E38 IonicContact NE-OE1 2.68Å; R36-E38 IonicContact NH1-OE1 3.63Å; R36-E38 PolarHBondContact NH1-OE1 3.35Å
37L93.9Very high94.8Very high101 Ų10153.6 Ų53.653%0.52927%0.272SS..EExtended strand (participates in β ladder)trans-83.6125.8168.9-73.1169.9000109.8V29 R30 Q31 W97V29-L37 HydrophobicContact CG1-CD2 4.14Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.33Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 4.19Å; L37-W97 HydrophobicContact CD2-CZ3 4.4Å
38E95.2Very high94.8Very high37 Ų3757.5 Ų57.517%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-128.5129.8-179.6-61.6-171.7156.400110V29 R30 T32 R36V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 3Å; R30-E38 PolarHBondContact N-O 3.45Å; R30-E38 IonicContact NE-OE2 3.46Å; R30-E38 PolarHBondContact NE-OE2 2.68Å; R30-E38 IonicContact NH2-OE2 2.84Å; R30-E38 PolarHBondContact NH2-OE2 3.21Å; R30-E38 PolarHBondContact O-N 2.96Å; T32-E38 HydrophobicContact CG2-CG 4.29Å; R36-E38 WeakPolarHBondContact CD-OE1 3.47Å; R36-E38 HydrophobicContact CG-CG 4.02Å; R36-E38 IonicContact CZ-OE1 2.98Å; R36-E38 IonicContact NE-OE1 2.68Å; R36-E38 IonicContact NH1-OE1 3.63Å; R36-E38 PolarHBondContact NH1-OE1 3.35Å
39W95.2Very high94.7Very high113 Ų11363 Ų6343%0.42833%0.326SS..EExtended strand (participates in β ladder)trans-63.5141.6168.6-99.1100.8000111.2Y27 V29 A41 T42 P53Y27-W39 VanDerWaalsContact CB-CH2 3.41Å; Y27-W39 VanDerWaalsContact CB-CZ3 3.41Å; Y27-W39 AromaticContact CD1-CH2 2.93Å; Y27-W39 HydrophobicContact CD1-CH2 2.93Å; Y27-W39 AromaticContact CD1-CZ2 3.87Å; Y27-W39 HydrophobicContact CD1-CZ2 3.87Å; Y27-W39 AromaticContact CD1-CZ3 3.51Å; Y27-W39 HydrophobicContact CD1-CZ3 3.51Å; Y27-W39 AromaticContact CD2-CH2 3.74Å; Y27-W39 HydrophobicContact CD2-CH2 3.74Å; Y27-W39 AromaticContact CD2-CZ2 3.88Å; Y27-W39 HydrophobicContact CD2-CZ2 3.88Å; Y27-W39 AromaticContact CE1-CH2 3.4Å; Y27-W39 HydrophobicContact CE1-CH2 3.4Å; Y27-W39 VanDerWaalsContact CE1-CH2 3.4Å; Y27-W39 HydrophobicContact CE1-CZ2 4.12Å; Y27-W39 HydrophobicContact CE1-CZ3 4.33Å; Y27-W39 HydrophobicContact CE2-CH2 4.13Å; Y27-W39 HydrophobicContact CE2-CZ2 4.15Å; Y27-W39 AromaticContact CG-CH2 3.06Å; Y27-W39 HydrophobicContact CG-CH2 3.06Å; Y27-W39 AromaticContact CG-CZ2 3.68Å; Y27-W39 HydrophobicContact CG-CZ2 3.68Å; Y27-W39 AromaticContact CG-CZ3 3.62Å; Y27-W39 HydrophobicContact CG-CZ3 3.62Å; Y27-W39 AromaticContact CZ-CH2 3.96Å; V29-W39 HydrophobicContact CG2-CD2 4.13Å; V29-W39 HydrophobicContact CG2-CE3 4.37Å; W39-A41 VanDerWaalsContact CZ3-O 3.31Å; W39-A41 WeakPolarHBondContact CZ3-O 3.48Å; W39-T42 HydrophobicContact CH2-CG2 4.49Å; W39-T42 VanDerWaalsContact CH2-OG1 3.27Å; W39-T42 WeakPolarHBondContact CH2-OG1 3.38Å; W39-T42 WeakPolarHBondContact CZ3-OG1 3.31Å; W39-P53 VanDerWaalsContact O-CG 3.27Å; W39-P53 WeakPolarHBondContact O-CG 2.96Å
40V97.5Very high94.8Very high0 Ų065.6 Ų65.60%034%0.342CS..EExtended strand (participates in β ladder)trans-119.1-48.8-177.6-179.70000111.6W28 R30 P53 V56 F60 L73 Y86W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.4Å; W28-V40 WeakPolarHBondContact O-CA 3.13Å; W28-V40 WeakPolarHBondContact O-CB 3.27Å; W28-V40 PolarHBondContact O-N 3.44Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.61Å; V40-P53 WeakPolarHBondContact O-CD 3.27Å; V40-V56 HydrophobicContact CG1-CG2 4.36Å; V40-V56 VanDerWaalsContact O-CG2 3.3Å; V40-V56 WeakPolarHBondContact O-CG2 3.23Å; V40-F60 HydrophobicContact CG1-CD2 3.63Å; V40-F60 HydrophobicContact CG1-CE2 4.03Å; V40-L73 HydrophobicContact CG1-CD1 4.45Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; V40-Y86 HydrophobicContact CG1-CE1 4.34Å; V40-Y86 HydrophobicContact CG2-CD1 4.37Å; V40-Y86 HydrophobicContact CG2-CE1 4.04Å
41A97.9Very high94.9Very high0 Ų070.4 Ų70.40%036%0.361CS..EExtended strand (participates in β ladder)trans-161.6145.9178.900000112.1Y27 W28 W39 Y51 Y52 I62 L73Y27-A41 CarbonylContact C-O 3.6Å; Y27-A41 WeakPolarHBondContact CA-O 3.49Å; W28-A41 PolarHBondContact N-O 3.18Å; W28-A41 PolarHBondContact O-N 2.9Å; W39-A41 VanDerWaalsContact CZ3-O 3.31Å; W39-A41 WeakPolarHBondContact CZ3-O 3.48Å; A41-Y51 CarbonylContact C-O 3.6Å; A41-Y51 VanDerWaalsContact CA-O 3.32Å; A41-Y51 WeakPolarHBondContact CA-O 3.44Å; A41-Y52 HydrophobicContact CB-CD1 3.69Å; A41-Y52 HydrophobicContact CB-CE1 3.69Å; A41-I62 HydrophobicContact CB-CB 3.74Å; A41-I62 HydrophobicContact CB-CD1 3.94Å; A41-I62 HydrophobicContact CB-CG1 4.39Å; A41-I62 HydrophobicContact CB-CG2 3.94Å; A41-L73 HydrophobicContact CB-CD1 4.09Å
42T97.5Very high94.9Very high15 Ų1569.2 Ų69.29%0.09235%0.354CS..EExtended strand (participates in β ladder)trans-117.5142.9175.1-53.80000110.1Y25 Y27 W39 T50 Y51Y25-T42 HydrophobicContact CD1-CG2 3.94Å; Y27-T42 HydrophobicContact CD1-CG2 3.83Å; Y27-T42 HydrophobicContact CE1-CG2 3.68Å; W39-T42 HydrophobicContact CH2-CG2 4.49Å; W39-T42 VanDerWaalsContact CH2-OG1 3.27Å; W39-T42 WeakPolarHBondContact CH2-OG1 3.38Å; W39-T42 WeakPolarHBondContact CZ3-OG1 3.31Å; T42-T50 WeakPolarHBondContact O-CA 3.45Å; T42-Y51 PolarHBondContact N-O 2.96Å; T42-Y51 PolarHBondContact O-N 2.98Å
43I98Very high95.1Very high6 Ų669.6 Ų69.63%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-135.2135.7167-169160.2000110.5Y25 M26 Y49 T50 I62 R64 L71Y25-I43 WeakPolarHBondContact CA-O 3.47Å; M26-I43 HydrophobicContact CB-CG2 3.86Å; M26-I43 PolarHBondContact N-O 2.86Å; M26-I43 PolarHBondContact O-N 3.5Å; I43-Y49 WeakPolarHBondContact CA-O 3.45Å; I43-T50 HydrophobicContact CB-CG2 4.21Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; I43-I62 HydrophobicContact CB-CD1 3.93Å; I43-I62 HydrophobicContact CB-CG1 4.16Å; I43-I62 HydrophobicContact CB-CG2 3.95Å; I43-I62 HydrophobicContact CD1-CG2 4.45Å; I43-I62 HydrophobicContact CG2-CD1 3.63Å; I43-I62 HydrophobicContact CG2-CG1 3.98Å; I43-R64 HydrophobicContact CD1-CB 4.24Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.38Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å
44S96.8Very high95.3Very high0 Ų072.1 Ų72.10%037%0.365CS..  trans-68.3164.1174.960.50000112.3G46 G47 S48 Y49 R64S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.68Å; S44-G47 PolarHBondContact O-N 3.26Å; S44-G47 PolarHBondContact OG-N 2.85Å; S44-S48 PolarHBondContact OG-N 2.97Å; S44-S48 PolarHBondContact OG-OG 3.07Å; S44-Y49 PolarHBondContact N-O 2.8Å; S44-Y49 PolarHBondContact OG-N 3Å; S44-R64 WeakPolarHBondContact O-CD 3.4Å; S44-R64 PolarHBondContact O-NH1 2.85Å
45D93.4Very high95.4Very high64 Ų6468 Ų6834%0.34235%0.353SS..THydrogen-bonded Turntrans-47.3-44.5175.963.9-70.9000113.5S22 Y24 Y25 R64 N66S22-D45 WeakPolarHBondContact O-CB 3.25Å; Y24-D45 WeakPolarHBondContact O-CA 3.49Å; Y25-D45 WeakPolarHBondContact CE2-OD1 3.33Å; D45-R64 VanDerWaalsContact C-NH1 3.33Å; D45-R64 PolarHBondContact O-NE 3.1Å; D45-R64 PolarHBondContact O-NH1 2.92Å; D45-R64 PolarHBondContact O-NH2 3.28Å; D45-N66 PolarHBondContact O-ND2 3.12Å
46G89.1Confident95.8Very high54 Ų5460 Ų6056%0.55732%0.318SS*.THydrogen-bonded Turntrans-89.6-7.2174.700000115.3S44 S48S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.68Å; G46-S48 VanDerWaalsContact C-N 3.27Å; G46-S48 PolarHBondContact O-N 2.81Å
47G94Very high96Very high30 Ų3058.7 Ų58.731%0.30932%0.317SS..SBendtrans76.85.7-17700000115.7S44 Y49S44-G47 PolarHBondContact O-N 3.26Å; S44-G47 PolarHBondContact OG-N 2.85Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-Y49 PolarHBondContact O-N 3.07Å
48S95.1Very high96.2Very high117 Ų11757.8 Ų57.882%0.81833%0.332SS*.  trans-71.3-25179.555.60000113.7S44 G46S44-S48 PolarHBondContact OG-N 2.97Å; S44-S48 PolarHBondContact OG-OG 3.07Å; G46-S48 VanDerWaalsContact C-N 3.27Å; G46-S48 PolarHBondContact O-N 2.81Å
49Y97.4Very high96.3Very high118 Ų11857.5 Ų57.546%0.46333%0.329SS..  trans-119133.6-179.8173.7-95.6000110.2Y25 I43 S44 G47Y25-Y49 HydrophobicContact CE1-CD1 4.28Å; I43-Y49 WeakPolarHBondContact CA-O 3.45Å; S44-Y49 PolarHBondContact N-O 2.8Å; S44-Y49 PolarHBondContact OG-N 3Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-Y49 PolarHBondContact O-N 3.07Å
50T98.2Very high96.4Very high61 Ų6152.3 Ų52.337%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-132.4146.5169.257.90000110.9T42 I43 I62T42-T50 WeakPolarHBondContact O-CA 3.45Å; I43-T50 HydrophobicContact CB-CG2 4.21Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; T50-I62 HydrophobicContact CG2-CG2 3.78Å
51Y97.9Very high96.5Very high115 Ų11556 Ų5645%0.45133%0.332SS..EExtended strand (participates in β ladder)trans-132.4143.3174.8172.3-94.3000110.7A41 T42A41-Y51 CarbonylContact C-O 3.6Å; A41-Y51 VanDerWaalsContact CA-O 3.32Å; A41-Y51 WeakPolarHBondContact CA-O 3.44Å; T42-Y51 PolarHBondContact N-O 2.96Å; T42-Y51 PolarHBondContact O-N 2.98Å
52Y98.2Very high96.5Very high38 Ų3856.3 Ų56.315%0.14933%0.334CS..  trans-138.8134.7177.3-53.3-88000109.2A41 F60 T61 I62A41-Y52 HydrophobicContact CB-CD1 3.69Å; A41-Y52 HydrophobicContact CB-CE1 3.69Å; Y52-F60 VanDerWaalsContact CE1-O 3.29Å; Y52-F60 WeakPolarHBondContact CE1-O 3.49Å; Y52-T61 WeakPolarHBondContact OH-CA 3.49Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CG2 3.93Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.03Å; Y52-I62 PolarHBondContact OH-N 3.23Å
53P97Very high96.6Very high24 Ų2457.7 Ų57.716%0.15634%0.344CS..  trans-71.4156.8168.827.6-26.1000111W39 V40 S55 V56 K57W39-P53 VanDerWaalsContact O-CG 3.27Å; W39-P53 WeakPolarHBondContact O-CG 2.96Å; V40-P53 WeakPolarHBondContact O-CD 3.27Å; P53-S55 PolarHBondContact O-N 3.16Å; P53-S55 VanDerWaalsContact O-N 3.07Å; P53-V56 HydrophobicContact CG-CG2 3.99Å; P53-V56 PolarHBondContact O-N 3.24Å; P53-V56 VanDerWaalsContact O-N 3.1Å; P53-K57 WeakPolarHBondContact O-CB 3.09Å; P53-K57 PolarHBondContact O-N 3.44Å
54D96.5Very high96.6Very high142 Ų14259.1 Ų59.176%0.75935%0.349SS*.THydrogen-bonded Turntrans-59.1-25.9-174.1-65.5-31.6000113.8V56D54-V56 PolarHBondContact O-N 2.9Å
55S94.5Very high96.6Very high63 Ų6360.9 Ų60.944%0.44136%0.359SS..THydrogen-bonded Turntrans-60.7-28.8177.655.90000114P53 R59P53-S55 PolarHBondContact O-N 3.16Å; P53-S55 VanDerWaalsContact O-N 3.07Å; S55-R59 PolarHBondContact O-NH2 3.4Å
56V97.1Very high96.7Very high1 Ų160.8 Ų60.81%0.00636%0.358CS..THydrogen-bonded Turntrans-125.8-6.9-175.4-58.30000113.5V40 P53 D54 G58 R59 F60V40-V56 HydrophobicContact CG1-CG2 4.36Å; V40-V56 VanDerWaalsContact O-CG2 3.3Å; V40-V56 WeakPolarHBondContact O-CG2 3.23Å; P53-V56 HydrophobicContact CG-CG2 3.99Å; P53-V56 PolarHBondContact O-N 3.24Å; P53-V56 VanDerWaalsContact O-N 3.1Å; D54-V56 PolarHBondContact O-N 2.9Å; V56-G58 PolarHBondContact O-N 2.89Å; V56-R59 WeakPolarHBondContact O-CB 3.32Å; V56-R59 PolarHBondContact O-N 3.3Å; V56-F60 HydrophobicContact CB-CB 4.19Å; V56-F60 HydrophobicContact CB-CD1 4.45Å; V56-F60 HydrophobicContact CB-CD2 3.65Å; V56-F60 HydrophobicContact CB-CE2 4.05Å; V56-F60 HydrophobicContact CB-CG 3.86Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.58Å; V56-F60 HydrophobicContact CG1-CG 4.33Å; V56-F60 HydrophobicContact CG1-CZ 4.1Å; V56-F60 HydrophobicContact CG2-CB 4.48Å; V56-F60 HydrophobicContact CG2-CD2 4.23Å; V56-F60 PolarHBondContact O-N 3.04Å
57K96.3Very high97Very high134 Ų13462.9 Ų62.958%0.58337%0.37SS*.THydrogen-bonded Turntrans-55.7133.3179.4-167172.1-175.8177.70111.1P53 R59P53-K57 WeakPolarHBondContact O-CB 3.09Å; P53-K57 PolarHBondContact O-N 3.44Å; K57-R59 PolarHBondContact O-N 2.93Å
58G96.9Very high97.1Very high81 Ų8167.7 Ų67.784%0.83538%0.382SS*.THydrogen-bonded Turntrans78.4-5.6-177.100000115.1V56V56-G58 PolarHBondContact O-N 2.89Å
59R97.9Very high97.2Very high32 Ų3265.1 Ų65.112%0.12136%0.36CS..THydrogen-bonded Turntrans-112.5-38.6177-62.1-168.2-56.5114.80.3112.4S55 V56 K57 S76 S77 D82S55-R59 PolarHBondContact O-NH2 3.4Å; V56-R59 WeakPolarHBondContact O-CB 3.32Å; V56-R59 PolarHBondContact O-N 3.3Å; K57-R59 PolarHBondContact O-N 2.93Å; R59-S76 WeakPolarHBondContact CB-O 3.23Å; R59-S76 WeakPolarHBondContact O-CB 3.3Å; R59-S76 PolarHBondContact O-N 2.92Å; R59-S77 PolarHBondContact NH1-O 3.38Å; R59-D82 IonicContact CZ-OD1 2.97Å; R59-D82 IonicContact CZ-OD2 3.26Å; R59-D82 IonicContact NH1-OD1 3.88Å; R59-D82 IonicContact NH1-OD2 3.42Å; R59-D82 PolarHBondContact NH1-OD2 3.17Å; R59-D82 IonicContact NH2-OD1 2.73Å; R59-D82 PolarHBondContact NH2-OD1 2.86Å; R59-D82 IonicContact NH2-OD2 3.84Å; R59-D82 PolarHBondContact NH2-OD2 3.24Å
60F98.3Very high97.2Very high4 Ų461 Ų612%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-107.9146.6-176.6-65.68.4000110.8V40 Y52 V56 L73 Q74 M75 L78 D82 Y86V40-F60 HydrophobicContact CG1-CD2 3.63Å; V40-F60 HydrophobicContact CG1-CE2 4.03Å; Y52-F60 VanDerWaalsContact CE1-O 3.29Å; Y52-F60 WeakPolarHBondContact CE1-O 3.49Å; V56-F60 HydrophobicContact CB-CB 4.19Å; V56-F60 HydrophobicContact CB-CD1 4.45Å; V56-F60 HydrophobicContact CB-CD2 3.65Å; V56-F60 HydrophobicContact CB-CE2 4.05Å; V56-F60 HydrophobicContact CB-CG 3.86Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.58Å; V56-F60 HydrophobicContact CG1-CG 4.33Å; V56-F60 HydrophobicContact CG1-CZ 4.1Å; V56-F60 HydrophobicContact CG2-CB 4.48Å; V56-F60 HydrophobicContact CG2-CD2 4.23Å; V56-F60 PolarHBondContact O-N 3.04Å; F60-L73 HydrophobicContact CB-CD1 4.25Å; F60-L73 HydrophobicContact CD2-CD2 4.24Å; F60-Q74 CarbonylContact C-O 3.46Å; F60-Q74 VanDerWaalsContact CA-O 3.23Å; F60-Q74 WeakPolarHBondContact CA-O 3.14Å; F60-M75 HydrophobicContact CD1-CB 3.87Å; F60-M75 HydrophobicContact CD1-CG 4.21Å; F60-M75 HydrophobicContact CD2-CE 4.35Å; F60-M75 HydrophobicContact CD2-CG 4.16Å; F60-M75 HydrophobicContact CE1-CB 3.77Å; F60-M75 HydrophobicContact CE1-CE 4.23Å; F60-M75 HydrophobicContact CE1-CG 4.21Å; F60-M75 HydrophobicContact CE2-CE 3.48Å; F60-M75 VanDerWaalsContact CE2-CE 3.48Å; F60-M75 HydrophobicContact CE2-CG 4.15Å; F60-M75 HydrophobicContact CG-CB 4.37Å; F60-M75 HydrophobicContact CG-CG 4.23Å; F60-M75 HydrophobicContact CZ-CB 4.16Å; F60-M75 HydrophobicContact CZ-CE 3.42Å; F60-M75 VanDerWaalsContact CZ-CE 3.42Å; F60-M75 HydrophobicContact CZ-CG 4.19Å; F60-L78 HydrophobicContact CE1-CD2 4.04Å; F60-L78 HydrophobicContact CZ-CD2 3.98Å; F60-D82 HydrophobicContact CZ-CB 4.21Å; F60-Y86 HydrophobicContact CE2-CE1 4.38Å
61T98.5Very high97.2Very high77 Ų7758.1 Ų58.147%0.47233%0.328SS..EExtended strand (participates in β ladder)trans-134.2117.2179-53.50000109.8Y52 Q74Y52-T61 WeakPolarHBondContact OH-CA 3.49Å; T61-Q74 PolarHBondContact N-O 2.85Å; T61-Q74 PolarHBondContact O-N 2.93Å
62I98.6Very high97.2Very high6 Ų654.6 Ų54.63%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-85.1140.3171.3-167.8169.8000109.5A41 I43 T50 Y52 L71 Y72 L73A41-I62 HydrophobicContact CB-CB 3.74Å; A41-I62 HydrophobicContact CB-CD1 3.94Å; A41-I62 HydrophobicContact CB-CG1 4.39Å; A41-I62 HydrophobicContact CB-CG2 3.94Å; I43-I62 HydrophobicContact CB-CD1 3.93Å; I43-I62 HydrophobicContact CB-CG1 4.16Å; I43-I62 HydrophobicContact CB-CG2 3.95Å; I43-I62 HydrophobicContact CD1-CG2 4.45Å; I43-I62 HydrophobicContact CG2-CD1 3.63Å; I43-I62 HydrophobicContact CG2-CG1 3.98Å; T50-I62 HydrophobicContact CG2-CG2 3.78Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CG2 3.93Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.03Å; Y52-I62 PolarHBondContact OH-N 3.23Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.46Å; I62-L71 HydrophobicContact CD1-CG 4.49Å; I62-L71 HydrophobicContact CG1-CD1 3.97Å; I62-Y72 WeakPolarHBondContact CA-O 3.01Å; I62-L73 HydrophobicContact CB-CD1 4.33Å
63S98.3Very high97.2Very high45 Ų4552.8 Ų52.832%0.31531%0.307SS..EExtended strand (participates in β ladder)trans-146.9160.7174.251.50000110Y72S63-Y72 PolarHBondContact N-O 2.88Å; S63-Y72 PolarHBondContact O-N 2.99Å
64R97.8Very high97.2Very high35 Ų3554.7 Ų54.713%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-138.7151.7-177.365.3-177.7-68154.63.3111.2F21 Y24 I43 S44 D45 N66 N70 L71F21-R64 HydrophobicContact CE1-CB 4.03Å; F21-R64 HydrophobicContact CZ-CB 4.13Å; F21-R64 PolarHBondContact O-NH2 2.78Å; Y24-R64 PolarHBondContact O-NH1 2.84Å; I43-R64 HydrophobicContact CD1-CB 4.24Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.38Å; S44-R64 WeakPolarHBondContact O-CD 3.4Å; S44-R64 PolarHBondContact O-NH1 2.85Å; D45-R64 VanDerWaalsContact C-NH1 3.33Å; D45-R64 PolarHBondContact O-NE 3.1Å; D45-R64 PolarHBondContact O-NH1 2.92Å; D45-R64 PolarHBondContact O-NH2 3.28Å; R64-N66 PolarHBondContact NE-OD1 3.25Å; R64-N66 PolarHBondContact NH2-OD1 3.23Å; R64-N70 CarbonylContact C-O 3.42Å; R64-N70 WeakPolarHBondContact CA-O 3.39Å; R64-L71 HydrophobicContact CB-CD1 4.21Å
65D97.1Very high97.3Very high38 Ų3847.9 Ų47.920%0.20328%0.278CS..EExtended strand (participates in β ladder)trans-126.3105.3171.4-176.5-23.1000108.2A67 K68 N69 N70 Y72D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.43Å; D65-A67 PolarHBondContact OD1-N 3.06Å; D65-K68 HydrophobicContact CB-CB 4.25Å; D65-K68 PolarHBondContact O-N 3.02Å; D65-K68 PolarHBondContact OD1-N 3.01Å; D65-K68 WeakPolarHBondContact OD2-CD 3.24Å; D65-K68 VanDerWaalsContact OD2-CG 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 2.83Å; D65-K68 PolarHBondContact OD2-NZ 2.02Å; D65-N69 PolarHBondContact O-N 2.79Å; D65-N70 PolarHBondContact N-O 2.87Å; D65-N70 PolarHBondContact O-N 2.82Å; D65-Y72 HydrophobicContact CB-CE2 4.03Å
66N96.2Very high97.5Very high61 Ų6146.8 Ų46.833%0.32627%0.27SS..THydrogen-bonded Turntrans-70.7-30.2-177.7-74.3-7.6000112.7F21 D45 R64 K68 N69F21-N66 WeakPolarHBondContact CD1-OD1 3.48Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.37Å; D45-N66 PolarHBondContact O-ND2 3.12Å; R64-N66 PolarHBondContact NE-OD1 3.25Å; R64-N66 PolarHBondContact NH2-OD1 3.23Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 3.1Å; N66-N69 PolarHBondContact O-OD1 3.43Å
67A95.6Very high97.5Very high98 Ų9850 Ų5081%0.8129%0.293SS*.THydrogen-bonded Turntrans-70.6-30.2177.400000111.4D65D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.43Å; D65-A67 PolarHBondContact OD1-N 3.06Å
68K96.5Very high97.5Very high131 Ų13143.8 Ų43.857%0.5727%0.265SS*.THydrogen-bonded Turntrans-1000.6178.8-58.3-166.5-169.1940114.6D65 N66 N70D65-K68 HydrophobicContact CB-CB 4.25Å; D65-K68 PolarHBondContact O-N 3.02Å; D65-K68 PolarHBondContact OD1-N 3.01Å; D65-K68 WeakPolarHBondContact OD2-CD 3.24Å; D65-K68 VanDerWaalsContact OD2-CG 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 2.83Å; D65-K68 PolarHBondContact OD2-NZ 2.02Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 3.1Å; K68-N70 HydrophobicContact CB-CB 4.31Å; K68-N70 PolarHBondContact O-N 3.42Å
69N96.1Very high97.4Very high64 Ų6445 Ų4534%0.34225%0.248SC..THydrogen-bonded Turntrans49.539.6-172.2-59.9-38.8000113.1A16 F21 D65 N66A16-N69 HydrophobicContact CB-CB 4.36Å; A16-N69 WeakPolarHBondContact CB-O 3.24Å; A16-N69 PolarHBondContact N-O 3.44Å; F21-N69 HydrophobicContact CB-CB 3.99Å; F21-N69 VanDerWaalsContact CB-OD1 3.29Å; F21-N69 WeakPolarHBondContact CB-OD1 3.41Å; F21-N69 HydrophobicContact CG-CB 4.26Å; D65-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-OD1 3.43Å
70N97.1Very high97.3Very high31 Ų3146.6 Ų46.617%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-115.8135-174.4-80.6-33.5000112C14 A15 R64 D65 K68 Y72C14-N70 WeakPolarHBondContact O-CA 3.3Å; A15-N70 WeakPolarHBondContact CA-OD1 3.41Å; A15-N70 WeakPolarHBondContact CB-OD1 3.48Å; R64-N70 CarbonylContact C-O 3.42Å; R64-N70 WeakPolarHBondContact CA-O 3.39Å; D65-N70 PolarHBondContact N-O 2.87Å; D65-N70 PolarHBondContact O-N 2.82Å; K68-N70 HydrophobicContact CB-CB 4.31Å; K68-N70 PolarHBondContact O-N 3.42Å; N70-Y72 HydrophobicContact CB-CE1 4.23Å; N70-Y72 HydrophobicContact CB-CE2 3.74Å; N70-Y72 VanDerWaalsContact CB-OH 3.3Å; N70-Y72 WeakPolarHBondContact CB-OH 3.14Å; N70-Y72 PolarHBondContact ND2-OH 2.78Å
71L97.9Very high97.1Very high0 Ų052.8 Ų52.80%029%0.293CS..EExtended strand (participates in β ladder)trans-104.8139168.9-17170.8000109.8S13 C14 F21 M26 W28 I43 I62 R64 C88S13-L71 CarbonylContact C-O 3.56Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.41Å; C14-L71 HydrophobicContact CB-CB 4.33Å; C14-L71 PolarHBondContact N-O 2.94Å; C14-L71 PolarHBondContact O-N 3Å; F21-L71 HydrophobicContact CE2-CB 4.32Å; F21-L71 HydrophobicContact CZ-CB 4.14Å; F21-L71 HydrophobicContact CZ-CD1 4.47Å; M26-L71 HydrophobicContact CB-CD1 3.67Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.37Å; M26-L71 HydrophobicContact CE-CD2 4.31Å; M26-L71 HydrophobicContact CG-CD1 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.49Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.46Å; I62-L71 HydrophobicContact CD1-CG 4.49Å; I62-L71 HydrophobicContact CG1-CD1 3.97Å; R64-L71 HydrophobicContact CB-CD1 4.21Å; L71-C88 HydrophobicContact CD2-CB 4Å
72Y98.3Very high97Very high42 Ų4249.3 Ų49.317%0.16527%0.271CS..EExtended strand (participates in β ladder)trans-127.6146.5179.6-55.1-77000111.6L12 I62 S63 D65 N70L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; I62-Y72 WeakPolarHBondContact CA-O 3.01Å; S63-Y72 PolarHBondContact N-O 2.88Å; S63-Y72 PolarHBondContact O-N 2.99Å; D65-Y72 HydrophobicContact CB-CE2 4.03Å; N70-Y72 HydrophobicContact CB-CE1 4.23Å; N70-Y72 HydrophobicContact CB-CE2 3.74Å; N70-Y72 VanDerWaalsContact CB-OH 3.3Å; N70-Y72 WeakPolarHBondContact CB-OH 3.14Å; N70-Y72 PolarHBondContact ND2-OH 2.78Å
73L98.5Very high97Very high0 Ų050.5 Ų50.50%028%0.279CS..EExtended strand (participates in β ladder)trans-125.9108168.2-171.868.3000108.7K11 L12 W28 V40 A41 F60 I62 M75 Y86K11-L73 WeakPolarHBondContact CA-O 3.41Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.89Å; L12-L73 PolarHBondContact O-N 3.07Å; W28-L73 HydrophobicContact CB-CD2 4.2Å; W28-L73 HydrophobicContact CD2-CB 4.09Å; W28-L73 HydrophobicContact CD2-CD2 4.22Å; W28-L73 HydrophobicContact CG-CB 4.1Å; W28-L73 HydrophobicContact CG-CD1 4.36Å; W28-L73 HydrophobicContact CG-CD2 4Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CZ2-CB 4.33Å; V40-L73 HydrophobicContact CG1-CD1 4.45Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; A41-L73 HydrophobicContact CB-CD1 4.09Å; F60-L73 HydrophobicContact CB-CD1 4.25Å; F60-L73 HydrophobicContact CD2-CD2 4.24Å; I62-L73 HydrophobicContact CB-CD1 4.33Å; L73-M75 HydrophobicContact CD2-CG 3.85Å; L73-M75 HydrophobicContact CD2-SD 4.13Å; L73-M75 HydrophobicContact CG-CG 3.85Å; L73-Y86 HydrophobicContact CD2-CD1 4.23Å; L73-Y86 HydrophobicContact CD2-CE1 4.4Å
74Q98.3Very high96.9Very high63 Ų6348.5 Ų48.529%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-80.3122167.4-178.161.843.500108F60 T61F60-Q74 CarbonylContact C-O 3.46Å; F60-Q74 VanDerWaalsContact CA-O 3.23Å; F60-Q74 WeakPolarHBondContact CA-O 3.14Å; T61-Q74 PolarHBondContact N-O 2.85Å; T61-Q74 PolarHBondContact O-N 2.93Å
75M98Very high96.9Very high0 Ų049.6 Ų49.60%027%0.272CS..EExtended strand (participates in β ladder)trans-115115.1179.8-54.7168.480.100107.7S9 L10 L12 F60 L73 L78 Y86S9-M75 CarbonylContact C-O 3.57Å; S9-M75 WeakPolarHBondContact CA-O 3.4Å; S9-M75 WeakPolarHBondContact CB-O 3.41Å; L10-M75 PolarHBondContact N-O 2.83Å; L10-M75 PolarHBondContact O-N 3.13Å; L12-M75 HydrophobicContact CD1-SD 3.83Å; L12-M75 HydrophobicContact CG-SD 3.91Å; F60-M75 HydrophobicContact CD1-CB 3.87Å; F60-M75 HydrophobicContact CD1-CG 4.21Å; F60-M75 HydrophobicContact CD2-CE 4.35Å; F60-M75 HydrophobicContact CD2-CG 4.16Å; F60-M75 HydrophobicContact CE1-CB 3.77Å; F60-M75 HydrophobicContact CE1-CE 4.23Å; F60-M75 HydrophobicContact CE1-CG 4.21Å; F60-M75 HydrophobicContact CE2-CE 3.48Å; F60-M75 VanDerWaalsContact CE2-CE 3.48Å; F60-M75 HydrophobicContact CE2-CG 4.15Å; F60-M75 HydrophobicContact CG-CB 4.37Å; F60-M75 HydrophobicContact CG-CG 4.23Å; F60-M75 HydrophobicContact CZ-CB 4.16Å; F60-M75 HydrophobicContact CZ-CE 3.42Å; F60-M75 VanDerWaalsContact CZ-CE 3.42Å; F60-M75 HydrophobicContact CZ-CG 4.19Å; L73-M75 HydrophobicContact CD2-CG 3.85Å; L73-M75 HydrophobicContact CD2-SD 4.13Å; L73-M75 HydrophobicContact CG-CG 3.85Å; M75-L78 HydrophobicContact CB-CD2 3.92Å; M75-L78 HydrophobicContact CB-CG 4.27Å; M75-L78 HydrophobicContact CE-CD2 3.6Å; M75-L78 HydrophobicContact SD-CD2 4.45Å; M75-Y86 HydrophobicContact CE-CD1 4.34Å; M75-Y86 HydrophobicContact CE-CE1 3.58Å; M75-Y86 HydrophobicContact CE-CE2 3.95Å; M75-Y86 WeakPolarHBondContact CE-OH 3.45Å
76S97.6Very high96.9Very high40 Ų4047.8 Ų47.828%0.2826%0.263SS..  trans-114.5156.7178.3-560000110.4R59 L78R59-S76 WeakPolarHBondContact CB-O 3.23Å; R59-S76 WeakPolarHBondContact O-CB 3.3Å; R59-S76 PolarHBondContact O-N 2.92Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.81Å
77S96.8Very high97Very high69 Ų6947.1 Ų47.148%0.48326%0.256SS..SBendtrans50.150.5178.9-54.90000111.9G8 R59G8-S77 PolarHBondContact O-N 3.42Å; R59-S77 PolarHBondContact NH1-O 3.38Å
78L97Very high97Very high2 Ų243 Ų431%0.0122%0.221CC..  trans-60.1139.2-178.9-80.6168.6000111V4 G7 G8 L10 F60 M75 S76 D82 V105V4-L78 HydrophobicContact CB-CD1 3.97Å; V4-L78 HydrophobicContact CG1-CD1 3.93Å; V4-L78 HydrophobicContact CG2-CD1 4.05Å; G7-L78 PolarHBondContact N-O 2.95Å; G8-L78 WeakPolarHBondContact O-CB 3.34Å; G8-L78 PolarHBondContact O-N 3.16Å; L10-L78 HydrophobicContact CB-CD1 3.99Å; F60-L78 HydrophobicContact CE1-CD2 4.04Å; F60-L78 HydrophobicContact CZ-CD2 3.98Å; M75-L78 HydrophobicContact CB-CD2 3.92Å; M75-L78 HydrophobicContact CB-CG 4.27Å; M75-L78 HydrophobicContact CE-CD2 3.6Å; M75-L78 HydrophobicContact SD-CD2 4.45Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 HydrophobicContact CD2-CB 3.79Å; L78-V105 HydrophobicContact CB-CG1 4.27Å; L78-V105 HydrophobicContact CB-CG2 4.02Å; L78-V105 HydrophobicContact CD1-CG2 4.33Å; L78-V105 HydrophobicContact CD2-CG2 4.23Å; L78-V105 HydrophobicContact CG-CG2 4.44Å
79K95.9Very high96.9Very high106 Ų10637 Ų3746%0.46120%0.196SC..  trans-116.4162.9176.4-49.4178.6179.7179.60110.2E81 D82 V105K79-E81 WeakPolarHBondContact CB-OE2 3.19Å; K79-E81 PolarHBondContact O-N 2.92Å; K79-D82 PolarHBondContact N-OD2 2.78Å; K79-D82 WeakPolarHBondContact O-CB 3.4Å; K79-D82 PolarHBondContact O-N 3.04Å; K79-V105 WeakPolarHBondContact O-CB 3.37Å; K79-V105 WeakPolarHBondContact O-CG1 3.29Å; K79-V105 WeakPolarHBondContact O-CG2 3.5Å
80S94.8Very high96.7Very high67 Ų6735.2 Ų35.247%0.46918%0.184SC..G310 helixtrans-56.4-34179-56.60000112D82 T83S80-D82 PolarHBondContact O-N 3.31Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.44Å; S80-T83 PolarHBondContact O-N 3.13Å; S80-T83 VanDerWaalsContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 2.85Å
81E94.5Very high96.2Very high134 Ų13437.3 Ų37.363%0.62620%0.196SC*.G310 helixtrans-70.3-11177.6-49.180.3-169.800113.4K79 T83K79-E81 WeakPolarHBondContact CB-OE2 3.19Å; K79-E81 PolarHBondContact O-N 2.92Å; E81-T83 VanDerWaalsContact C-N 3.25Å
82D96.4Very high95Very high3 Ų339 Ų392%0.01621%0.213CC..G310 helixtrans-83.4-2.3173.2-60.4-47.2000112.7R30 R59 F60 L78 K79 S80 A84 Y86 V105R30-D82 IonicContact NH1-OD1 3.37Å; R30-D82 PolarHBondContact NH1-OD1 3.02Å; R59-D82 IonicContact CZ-OD1 2.97Å; R59-D82 IonicContact CZ-OD2 3.26Å; R59-D82 IonicContact NH1-OD1 3.88Å; R59-D82 IonicContact NH1-OD2 3.42Å; R59-D82 PolarHBondContact NH1-OD2 3.17Å; R59-D82 IonicContact NH2-OD1 2.73Å; R59-D82 PolarHBondContact NH2-OD1 2.86Å; R59-D82 IonicContact NH2-OD2 3.84Å; R59-D82 PolarHBondContact NH2-OD2 3.24Å; F60-D82 HydrophobicContact CZ-CB 4.21Å; L78-D82 HydrophobicContact CD2-CB 3.79Å; K79-D82 PolarHBondContact N-OD2 2.78Å; K79-D82 WeakPolarHBondContact O-CB 3.4Å; K79-D82 PolarHBondContact O-N 3.04Å; S80-D82 PolarHBondContact O-N 3.31Å; D82-A84 PolarHBondContact O-N 2.79Å; D82-Y86 VanDerWaalsContact O-CE2 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.97Å; D82-V105 HydrophobicContact CB-CG2 4.47Å
83T97.3Very high93.3Very high31 Ų3145 Ų4519%0.1925%0.248CC..  trans-64.3114.1172.1-63.80000110P33 S80 E81 V103 V105P33-T83 WeakPolarHBondContact CD-O 3.29Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.44Å; S80-T83 PolarHBondContact O-N 3.13Å; S80-T83 VanDerWaalsContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 2.85Å; E81-T83 VanDerWaalsContact C-N 3.25Å; T83-V103 WeakPolarHBondContact CA-O 3.38Å; T83-V105 PolarHBondContact OG1-N 3.06Å; T83-V105 PolarHBondContact OG1-O 2.83Å
84A97.4Very high91.5Very high3 Ų353.5 Ų53.53%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-166.7167.9-176.900000110.9R30 Q31 D82 Y86 V103R30-A84 HydrophobicContact CB-CB 3.83Å; R30-A84 HydrophobicContact CG-CB 4.17Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; D82-A84 PolarHBondContact O-N 2.79Å; A84-Y86 HydrophobicContact CB-CD2 4.24Å; A84-Y86 HydrophobicContact CB-CE2 3.72Å; A84-Y86 WeakPolarHBondContact O-CD2 3.3Å; A84-V103 PolarHBondContact N-O 3.42Å; A84-V103 VanDerWaalsContact N-O 3.14Å; A84-V103 PolarHBondContact O-N 3.24Å
85M97.9Very high90Very high58 Ų5853.5 Ų53.529%0.28629%0.292SS..EExtended strand (participates in β ladder)trans-83.9120.5163.4-168.164.56700109R30 Q31 Y87 T101 L102R30-M85 CarbonylContact C-O 3.46Å; R30-M85 WeakPolarHBondContact CA-O 3.45Å; Q31-M85 HydrophobicContact CB-CB 4.41Å; Q31-M85 PolarHBondContact N-O 2.74Å; Q31-M85 PolarHBondContact O-N 3.2Å; M85-Y87 HydrophobicContact CB-CE2 3.79Å; M85-Y87 HydrophobicContact CG-CD2 4.37Å; M85-Y87 HydrophobicContact CG-CE1 3.84Å; M85-Y87 HydrophobicContact CG-CE2 3.56Å; M85-Y87 VanDerWaalsContact CG-OH 3.24Å; M85-Y87 WeakPolarHBondContact CG-OH 3.4Å; M85-Y87 WeakPolarHBondContact O-CE2 3.29Å; M85-T101 PolarHBondContact SD-N 3.06Å; M85-L102 HydrophobicContact CE-CB 3.8Å; M85-L102 HydrophobicContact CE-CD1 4.18Å; M85-L102 HydrophobicContact CE-CG 4.49Å; M85-L102 HydrophobicContact SD-CB 4.04Å; M85-L102 PolarHBondContact SD-N 3.26Å
86Y97.8Very high89.3Confident1 Ų160 Ų600%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-102.1129.7-178.7-74-101.5000110.8L12 R30 V40 F60 L73 M75 D82 A84 G100 T101 V103L12-Y86 HydrophobicContact CD1-CD1 4.13Å; L12-Y86 HydrophobicContact CD1-CD2 4.46Å; L12-Y86 HydrophobicContact CD1-CG 3.84Å; R30-Y86 HydrophobicContact CB-CD1 3.83Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.16Å; R30-Y86 WeakPolarHBondContact CD-OH 3.2Å; R30-Y86 HydrophobicContact CG-CE1 4.4Å; R30-Y86 PolarHBondContact NH1-OH 3.02Å; V40-Y86 HydrophobicContact CG1-CE1 4.34Å; V40-Y86 HydrophobicContact CG2-CD1 4.37Å; V40-Y86 HydrophobicContact CG2-CE1 4.04Å; F60-Y86 HydrophobicContact CE2-CE1 4.38Å; L73-Y86 HydrophobicContact CD2-CD1 4.23Å; L73-Y86 HydrophobicContact CD2-CE1 4.4Å; M75-Y86 HydrophobicContact CE-CD1 4.34Å; M75-Y86 HydrophobicContact CE-CE1 3.58Å; M75-Y86 HydrophobicContact CE-CE2 3.95Å; M75-Y86 WeakPolarHBondContact CE-OH 3.45Å; D82-Y86 VanDerWaalsContact O-CE2 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.97Å; A84-Y86 HydrophobicContact CB-CD2 4.24Å; A84-Y86 HydrophobicContact CB-CE2 3.72Å; A84-Y86 WeakPolarHBondContact O-CD2 3.3Å; Y86-G100 CarbonylContact O-C 3.49Å; Y86-G100 WeakPolarHBondContact O-CA 3.18Å; Y86-T101 PolarHBondContact N-O 2.76Å; Y86-T101 PolarHBondContact O-N 3.35Å; Y86-V103 HydrophobicContact CD2-CB 3.83Å; Y86-V103 HydrophobicContact CD2-CG2 3.6Å; Y86-V103 HydrophobicContact CE2-CB 3.75Å; Y86-V103 HydrophobicContact CE2-CG1 4.44Å; Y86-V103 HydrophobicContact CE2-CG2 3.95Å; Y86-V103 HydrophobicContact CG-CG2 4.39Å
87Y97Very high89Confident47 Ų4763.8 Ų63.818%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-121.4136-179.8-53.2-91.3000109.6W28 V29 Q31 M85 W97 G98W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-Y87 VanDerWaalsContact CE3-C 3.5Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 3.14Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.13Å; M85-Y87 HydrophobicContact CB-CE2 3.79Å; M85-Y87 HydrophobicContact CG-CD2 4.37Å; M85-Y87 HydrophobicContact CG-CE1 3.84Å; M85-Y87 HydrophobicContact CG-CE2 3.56Å; M85-Y87 VanDerWaalsContact CG-OH 3.24Å; M85-Y87 WeakPolarHBondContact CG-OH 3.4Å; M85-Y87 WeakPolarHBondContact O-CE2 3.29Å; Y87-W97 HydrophobicContact CD2-CE3 4.43Å; Y87-W97 HydrophobicContact CD2-CZ3 4.46Å; Y87-W97 AromaticContact CG-CE3 3.99Å; Y87-W97 HydrophobicContact CG-CE3 3.99Å; Y87-W97 HydrophobicContact CG-CZ3 4.43Å; Y87-G98 WeakPolarHBondContact CD1-O 3.31Å
88C95.8Very high88.8Confident11 Ų1161.7 Ų61.77%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-82.6144.216153.80000109.1C14 Y27 W28 L71 W97 G98C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.33Å; C14-C88 WeakPolarHBondContact SG-CB 2.95Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.27Å; Y27-C88 CarbonylContact O-C 3.5Å; Y27-C88 VanDerWaalsContact O-CA 3.23Å; Y27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.33Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å; L71-C88 HydrophobicContact CD2-CB 4Å; C88-W97 CarbonylContact O-C 3.49Å; C88-W97 WeakPolarHBondContact O-CA 3.43Å; C88-G98 PolarHBondContact O-N 3.47Å
89A94.5Very high88.5Confident4 Ų471.3 Ų71.33%0.03336%0.36CS..EExtended strand (participates in β ladder)trans-140.2157.8174.100000110.7M26 Y27 Y96 W97M26-A89 WeakPolarHBondContact CE-O 3.43Å; Y27-A89 WeakPolarHBondContact CB-O 3.49Å; Y27-A89 HydrophobicContact CD2-CB 4.25Å; Y27-A89 PolarHBondContact N-O 3.35Å; Y27-A89 PolarHBondContact O-N 3.43Å; A89-Y96 VanDerWaalsContact CA-O 3.27Å; A89-Y96 WeakPolarHBondContact CA-O 3.28Å; A89-W97 HydrophobicContact CB-CD2 4.12Å; A89-W97 HydrophobicContact CB-CE3 4.32Å; A89-W97 HydrophobicContact CB-CG 4.47Å
90R92.4Very high88.5Confident27 Ų2767.8 Ų67.810%0.10235%0.354CS..EExtended strand (participates in β ladder)trans-112.3149.9175.4-171.1-16988.9162.41.9110.1F19 Y24 M26 Y96F19-R90 VanDerWaalsContact CD2-CD 3.49Å; F19-R90 HydrophobicContact CE2-CG 4.04Å; F19-R90 HydrophobicContact CZ-CB 4.44Å; F19-R90 HydrophobicContact CZ-CG 4.29Å; Y24-R90 HydrophobicContact CD1-CG 3.96Å; Y24-R90 VanDerWaalsContact CD1-CZ 3.46Å; Y24-R90 VanDerWaalsContact CD1-NE 3.33Å; Y24-R90 HydrophobicContact CD2-CG 4.46Å; Y24-R90 HydrophobicContact CG-CG 3.69Å; Y24-R90 VanDerWaalsContact CZ-NH2 3.35Å; Y24-R90 PolarHBondContact OH-NH1 3.06Å; Y24-R90 PolarHBondContact OH-NH2 2.94Å; M26-R90 HydrophobicContact CE-CB 4.14Å; M26-R90 HydrophobicContact SD-CB 3.86Å; M26-R90 HydrophobicContact SD-CG 3.69Å; R90-Y96 PolarHBondContact N-O 3.3Å
91D85.8Confident88.5Confident76 Ų7666.1 Ų66.141%0.40634%0.341SS..  trans-61.3145.3166.3-156.2-0.5000112.8Y24 Y25 Y27Y24-D91 WeakPolarHBondContact CD1-O 3.3Å; Y25-D91 PolarHBondContact O-N 3.32Å; Y27-D91 HydrophobicContact CE2-CB 3.83Å; Y27-D91 VanDerWaalsContact CE2-N 3.27Å; Y27-D91 WeakPolarHBondContact OH-CB 3.36Å; Y27-D91 PolarHBondContact OH-OD1 2.99Å; Y27-D91 PolarHBondContact OH-OD2 3.23Å
92G73.1Confident88.7Confident36 Ų3664 Ų6437%0.37133%0.333SS..SBendtrans147.7166.1176.500000115.7Y94G92-Y94 PolarHBondContact O-N 3.22Å; G92-Y94 VanDerWaalsContact O-N 3.16Å
93N62.5Low88.7Confident168 Ų16863.8 Ų63.890%0.89833%0.332SS*.SBendtrans-58.1-27.3-178.3-70.3-26.5000114.3
94Y59.8Low88.7Confident178 Ų17864.5 Ų64.570%0.69834%0.337SS*.SBendtrans-116.5114.4167.5-54.2-75.6000105.8G92 Y96G92-Y94 PolarHBondContact O-N 3.22Å; G92-Y94 VanDerWaalsContact O-N 3.16Å; Y94-Y96 WeakPolarHBondContact O-CD2 3.35Å; Y94-Y96 PolarHBondContact O-N 3.17Å
95A67.3Low88.6Confident62 Ų6264.7 Ų64.751%0.51234%0.337SS..  trans-65.1106.3176.100000107.4W97A95-W97 PolarHBondContact O-NE1 3.01Å
96Y83.4Confident88.3Confident138 Ų13864.4 Ų64.454%0.54134%0.341SS..EExtended strand (participates in β ladder)trans-83.7119.5173.2-71.4-85.2000107.8A89 R90 Y94A89-Y96 VanDerWaalsContact CA-O 3.27Å; A89-Y96 WeakPolarHBondContact CA-O 3.28Å; R90-Y96 PolarHBondContact N-O 3.3Å; Y94-Y96 WeakPolarHBondContact O-CD2 3.35Å; Y94-Y96 PolarHBondContact O-N 3.17Å
97W91.1Very high87.4Confident118 Ų11870.5 Ų70.545%0.44739%0.392SS..EExtended strand (participates in β ladder)trans-108.7141.9179.7-61.774.1000109.9V29 L37 Y87 C88 A89 A95V29-W97 HydrophobicContact CB-CH2 3.89Å; V29-W97 HydrophobicContact CB-CZ3 3.54Å; V29-W97 HydrophobicContact CG1-CH2 3.71Å; V29-W97 HydrophobicContact CG1-CZ3 3.64Å; V29-W97 HydrophobicContact CG2-CH2 3.89Å; V29-W97 HydrophobicContact CG2-CZ3 3.93Å; L37-W97 HydrophobicContact CD2-CZ3 4.4Å; Y87-W97 HydrophobicContact CD2-CE3 4.43Å; Y87-W97 HydrophobicContact CD2-CZ3 4.46Å; Y87-W97 AromaticContact CG-CE3 3.99Å; Y87-W97 HydrophobicContact CG-CE3 3.99Å; Y87-W97 HydrophobicContact CG-CZ3 4.43Å; C88-W97 CarbonylContact O-C 3.49Å; C88-W97 WeakPolarHBondContact O-CA 3.43Å; A89-W97 HydrophobicContact CB-CD2 4.12Å; A89-W97 HydrophobicContact CB-CE3 4.32Å; A89-W97 HydrophobicContact CB-CG 4.47Å; A95-W97 PolarHBondContact O-NE1 3.01Å
98G92.3Very high87Confident26 Ų2671.7 Ų71.727%0.26840%0.402SS..  trans-66.8168.4164.700000111.5Y87 C88 G100Y87-G98 WeakPolarHBondContact CD1-O 3.31Å; C88-G98 PolarHBondContact O-N 3.47Å; G98-G100 PolarHBondContact O-N 3.38Å; G98-G100 VanDerWaalsContact O-N 3.07Å
99Q92.3Very high86.5Confident204 Ų20474.9 Ų74.995%0.95342%0.419SS*.  trans-63.7-15.3-178-67.8-177.4-28.700114.5
100G94.3Very high86Confident31 Ų3178.8 Ų78.832%0.3244%0.441SS..  trans88.1152.8-176.200000112.9Y86 G98Y86-G100 CarbonylContact O-C 3.49Å; Y86-G100 WeakPolarHBondContact O-CA 3.18Å; G98-G100 PolarHBondContact O-N 3.38Å; G98-G100 VanDerWaalsContact O-N 3.07Å
101T96.6Very high85.7Confident33 Ų3381.9 Ų81.920%0.20246%0.461CS..EExtended strand (participates in β ladder)trans-136.9126.6172.5-178.20000110G1 L12 M85 Y86 V103G1-T101 WeakPolarHBondContact CA-OG1 3.39Å; G1-T101 PolarHBondContact N-OG1 3.18Å; G1-T101 VanDerWaalsContact N-OG1 3.1Å; L12-T101 HydrophobicContact CD1-CG2 3.86Å; L12-T101 HydrophobicContact CD2-CG2 3.88Å; L12-T101 HydrophobicContact CG-CG2 4.39Å; M85-T101 PolarHBondContact SD-N 3.06Å; Y86-T101 PolarHBondContact N-O 2.76Å; Y86-T101 PolarHBondContact O-N 3.35Å; T101-V103 PolarHBondContact O-N 2.74Å
102L97.1Very high85.7Confident88 Ų8882.3 Ų82.346%0.46146%0.464SS..EExtended strand (participates in β ladder)trans-74.5125.8177.4-177.462000109.4G1 G2 M85G1-L102 CarbonylContact C-O 3.56Å; G1-L102 WeakPolarHBondContact CA-O 3.21Å; G2-L102 PolarHBondContact N-O 3.31Å; G2-L102 VanDerWaalsContact N-O 3.12Å; M85-L102 HydrophobicContact CE-CB 3.8Å; M85-L102 HydrophobicContact CE-CD1 4.18Å; M85-L102 HydrophobicContact CE-CG 4.49Å; M85-L102 HydrophobicContact SD-CB 4.04Å; M85-L102 PolarHBondContact SD-N 3.26Å
103V97.4Very high86.5Confident0 Ų085.3 Ų85.30%047%0.471CS..EExtended strand (participates in β ladder)trans-112127.1168.21780000107.4L10 L12 T83 A84 Y86 T101 V105L10-V103 HydrophobicContact CD2-CG1 3.95Å; L10-V103 HydrophobicContact CD2-CG2 3.8Å; L12-V103 HydrophobicContact CD1-CG2 4.13Å; L12-V103 HydrophobicContact CD2-CG2 3.94Å; T83-V103 WeakPolarHBondContact CA-O 3.38Å; A84-V103 PolarHBondContact N-O 3.42Å; A84-V103 VanDerWaalsContact N-O 3.14Å; A84-V103 PolarHBondContact O-N 3.24Å; Y86-V103 HydrophobicContact CD2-CB 3.83Å; Y86-V103 HydrophobicContact CD2-CG2 3.6Å; Y86-V103 HydrophobicContact CE2-CB 3.75Å; Y86-V103 HydrophobicContact CE2-CG1 4.44Å; Y86-V103 HydrophobicContact CE2-CG2 3.95Å; Y86-V103 HydrophobicContact CG-CG2 4.39Å; T101-V103 PolarHBondContact O-N 2.74Å; V103-V105 HydrophobicContact CG1-CG2 4.34Å
104T96.9Very high88.2Confident46 Ų4679.4 Ų79.428%0.28244%0.44SS..EExtended strand (participates in β ladder)trans-119.7124.8178.4-55.80000108.9G2 L3 V4G2-T104 PolarHBondContact O-N 3.5Å; L3-T104 WeakPolarHBondContact CA-O 3.35Å; L3-T104 HydrophobicContact CD1-CG2 3.82Å; V4-T104 PolarHBondContact N-O 2.73Å
105V95.6Very high90.4Very high6 Ų671.8 Ų71.84%0.03642%0.42CS..EExtended strand (participates in β ladder)trans-113.5104.1176-171.50000108.5V4 P6 L78 K79 D82 T83 V103V4-V105 VanDerWaalsContact O-CA 3.26Å; V4-V105 WeakPolarHBondContact O-CA 3.31Å; P6-V105 HydrophobicContact CB-CG1 4.48Å; P6-V105 HydrophobicContact CG-CG1 4.16Å; L78-V105 HydrophobicContact CB-CG1 4.27Å; L78-V105 HydrophobicContact CB-CG2 4.02Å; L78-V105 HydrophobicContact CD1-CG2 4.33Å; L78-V105 HydrophobicContact CD2-CG2 4.23Å; L78-V105 HydrophobicContact CG-CG2 4.44Å; K79-V105 WeakPolarHBondContact O-CB 3.37Å; K79-V105 WeakPolarHBondContact O-CG1 3.29Å; K79-V105 WeakPolarHBondContact O-CG2 3.5Å; D82-V105 HydrophobicContact CB-CG2 4.47Å; T83-V105 PolarHBondContact OG1-N 3.06Å; T83-V105 PolarHBondContact OG1-O 2.83Å; V103-V105 HydrophobicContact CG1-CG2 4.34Å
106S91.6Very high92.3Very high52 Ų5272.7 Ų72.736%0.36441%0.412SS..  trans-143.4155-179.667.60000111.1L3 V4L3-S106 WeakPolarHBondContact CD1-OG 3.43Å; V4-S106 PolarHBondContact O-N 3.02Å
107A79.4Confident93.1Very high130 Ų13066.7 Ų66.7100%1.07440%0.401SS*.  trans-69.80177.800000112.3

Retrieved 107 of 107 residues in 28 ms (Link to these results)

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