X5J5E7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E7, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 109 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
1G58.7Low84.2Confident96 Ų9673.5 Ų73.599%0.9947%0.474SS*.  0154.3000000109.7T104G1-T104 CarbonylContact C-O 3.45Å; G1-T104 WeakPolarHBondContact CA-O 3.39Å
2G73.4Confident85.2Confident30 Ų3068.6 Ų68.631%0.30944%0.441SS..EExtended strand (participates in β ladder)trans-121.6146-178.400000111.7T104 L105 T106G2-T104 PolarHBondContact N-O 3.48Å; G2-L105 WeakPolarHBondContact O-CD1 3.45Å; G2-T106 PolarHBondContact O-N 3.37Å
3L79.9Confident86.1Confident129 Ų12969.5 Ų69.568%0.67545%0.451SS*.EExtended strand (participates in β ladder)trans-103.7126167.4-178.866.8000107.8T106 S108L3-T106 WeakPolarHBondContact CA-O 3.39Å; L3-T106 HydrophobicContact CD1-CG2 4.1Å; L3-S108 WeakPolarHBondContact CD1-OG 3.4Å
4V83.7Confident86.7Confident22 Ų2265.6 Ų65.613%0.13343%0.425CS..EExtended strand (participates in β ladder)trans-134.5141-178.6-172.90000109.5L10 L80 L105 T106 V107 S108V4-L10 HydrophobicContact CG2-CB 4.27Å; V4-L10 HydrophobicContact CG2-CD1 4.48Å; V4-L10 HydrophobicContact CG2-CD2 4.08Å; V4-L80 HydrophobicContact CB-CD1 4.23Å; V4-L80 HydrophobicContact CG1-CD1 3.9Å; V4-L80 HydrophobicContact CG2-CD1 4.48Å; V4-L105 HydrophobicContact CG2-CD1 3.84Å; V4-T106 PolarHBondContact N-O 2.84Å; V4-V107 VanDerWaalsContact O-CA 3.24Å; V4-V107 WeakPolarHBondContact O-CA 3.42Å; V4-S108 PolarHBondContact O-N 3.24Å
5Q84.3Confident87.2Confident137 Ų13766.6 Ų66.664%0.6444%0.442SS*.  trans-74.8149.6174.1-70.9-176.3-13.400111.3G8Q5-G8 PolarHBondContact O-N 3.23Å
6P86.6Confident87.2Confident69 Ų6964.1 Ų64.145%0.44842%0.424SS..THydrogen-bonded Turntrans-52.1140.9171-2533.6000112.3G8 L80 V107P6-G8 PolarHBondContact O-N 3.03Å; P6-L80 WeakPolarHBondContact CA-O 3.2Å; P6-V107 HydrophobicContact CB-CG1 4.48Å; P6-V107 HydrophobicContact CG-CG1 4.14Å
7G86.1Confident87.3Confident53 Ų5366.6 Ų66.655%0.54644%0.443SS..THydrogen-bonded Turntrans81.8-12.4-174.500000114.5L80G7-L80 PolarHBondContact N-O 2.81Å
8G90.4Very high87.2Confident24 Ų2466.8 Ų66.825%0.24746%0.459CS..  trans-69.7173.1175.100000113.9Q5 P6 T79 L80Q5-G8 PolarHBondContact O-N 3.23Å; P6-G8 PolarHBondContact O-N 3.03Å; G8-T79 PolarHBondContact O-N 3.27Å; G8-L80 WeakPolarHBondContact O-CB 3.44Å; G8-L80 PolarHBondContact O-N 3.08Å
9S93.1Very high87.2Confident69 Ų6965.2 Ų65.248%0.48344%0.443SS..  trans-125146.3175-61.60000111M77 N78S9-M77 CarbonylContact C-O 3.42Å; S9-M77 WeakPolarHBondContact CA-O 3.42Å; S9-M77 WeakPolarHBondContact CB-O 3.39Å; S9-N78 WeakPolarHBondContact OG-CA 3.43Å; S9-N78 PolarHBondContact OG-OD1 3.48Å
10L94.3Very high87.4Confident47 Ų4765.9 Ų65.925%0.24645%0.445CS..EExtended strand (participates in β ladder)trans-141.1151.3176.1-176.266.8000109.8V4 L12 M77 L80 L105V4-L10 HydrophobicContact CG2-CB 4.27Å; V4-L10 HydrophobicContact CG2-CD1 4.48Å; V4-L10 HydrophobicContact CG2-CD2 4.08Å; L10-L12 HydrophobicContact CD2-CD2 3.64Å; L10-L12 HydrophobicContact CG-CD2 4.22Å; L10-M77 PolarHBondContact N-O 2.88Å; L10-M77 PolarHBondContact O-N 3.04Å; L10-L80 HydrophobicContact CB-CD1 4.03Å; L10-L105 HydrophobicContact CD2-CD1 3.45Å; L10-L105 VanDerWaalsContact CD2-CD1 3.45Å; L10-L105 HydrophobicContact CD2-CD2 4.25Å; L10-L105 HydrophobicContact CD2-CG 4.43Å
11R95.9Very high87.6Confident132 Ų13262.9 Ų62.950%0.49842%0.424SS..EExtended strand (participates in β ladder)trans-114.8117.4169-167.2174.2176178.8-1.6110Y74 L75R11-Y74 HydrophobicContact CG-CD1 4.37Å; R11-Y74 VanDerWaalsContact NE-CD1 3.32Å; R11-L75 WeakPolarHBondContact CA-O 3.48Å
12L96.3Very high89.3Confident15 Ų1560.9 Ų60.98%0.07939%0.393CS..EExtended strand (participates in β ladder)trans-87.1147.5168.9-56.8-177.1000109.9L10 W28 Y74 L75 M77 Y88 T103L10-L12 HydrophobicContact CD2-CD2 3.64Å; L10-L12 HydrophobicContact CG-CD2 4.22Å; L12-W28 HydrophobicContact CB-CH2 3.9Å; L12-W28 HydrophobicContact CB-CZ2 4.37Å; L12-W28 HydrophobicContact CB-CZ3 4.45Å; L12-W28 HydrophobicContact CD1-CZ3 4.36Å; L12-Y74 CarbonylContact O-C 3.6Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.35Å; L12-L75 HydrophobicContact CB-CB 4.31Å; L12-L75 PolarHBondContact N-O 2.78Å; L12-L75 PolarHBondContact O-N 2.78Å; L12-M77 HydrophobicContact CD1-SD 3.64Å; L12-M77 HydrophobicContact CG-SD 3.81Å; L12-Y88 HydrophobicContact CD1-CD1 3.93Å; L12-Y88 HydrophobicContact CD1-CD2 4.15Å; L12-Y88 HydrophobicContact CD1-CG 3.64Å; L12-T103 HydrophobicContact CD1-CG2 4.41Å; L12-T103 HydrophobicContact CD2-CG2 3.87Å
13S96.4Very high90.2Very high81 Ų8163.9 Ų63.957%0.56640%0.402SS*.EExtended strand (participates in β ladder)trans-125.6147.1171.159.50000110.2L73S13-L73 CarbonylContact C-O 3.58Å; S13-L73 WeakPolarHBondContact CA-O 3.32Å
14C95.1Very high90.8Very high14 Ų1462 Ų6210%0.09539%0.387CS..EExtended strand (participates in β ladder)trans-134.5109.9171.9161.20000108.8W28 I72 L73 C90C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 4.13Å; C14-I72 CarbonylContact O-C 3.54Å; C14-I72 WeakPolarHBondContact O-CA 3.27Å; C14-L73 HydrophobicContact CB-CB 4.43Å; C14-L73 PolarHBondContact N-O 2.77Å; C14-L73 PolarHBondContact O-N 2.83Å; C14-C90 HydrophobicContact CB-CB 3.43Å; C14-C90 VanDerWaalsContact CB-CB 3.43Å; C14-C90 WeakPolarHBondContact CB-SG 3.37Å; C14-C90 WeakPolarHBondContact SG-CB 3.3Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.77Å
15A93.6Very high91.4Very high81 Ų8163.6 Ų63.667%0.66939%0.39SS*.EExtended strand (participates in β ladder)trans-79.4135.6168.600000109.3I72A15-I72 HydrophobicContact CB-CG1 4.24Å
16T88.1Confident91.9Very high27 Ų2757.1 Ų57.117%0.16636%0.36CS..  trans-121.7150.8-17960.20000110.8F19 F21 M26 S71T16-F19 HydrophobicContact CG2-CZ 4.18Å; T16-F21 HydrophobicContact CG2-CD2 4.44Å; T16-F21 HydrophobicContact CG2-CE2 4.44Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.44Å; T16-M26 HydrophobicContact CG2-CE 3.98Å; T16-S71 PolarHBondContact N-O 3.4Å; T16-S71 PolarHBondContact OG1-O 2.87Å
17S87.6Confident92.4Very high106 Ų10653.9 Ų53.974%0.74134%0.339SS*.  trans-148.8166.2176.661.70000109.6
18G86.3Confident92.9Very high70 Ų7051.7 Ų51.772%0.72231%0.314SS*.SBendtrans87.83178.400000115.5
19F87.6Confident93.2Very high36 Ų3650.7 Ų50.716%0.15830%0.304CS..SBendtrans-155.5163.8170.761.8-85.9000111.1T16 F21 Y24 M26 R92 Y98T16-F19 HydrophobicContact CG2-CZ 4.18Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.47Å; F19-F21 PolarHBondContact O-N 2.57Å; F19-Y24 HydrophobicContact CB-CE2 4.31Å; F19-Y24 AromaticContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CE2 4.1Å; F19-Y24 HydrophobicContact CD2-CG 4.34Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; F19-M26 HydrophobicContact CE2-SD 3.99Å; F19-M26 HydrophobicContact CZ-CE 4.11Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F19-R92 HydrophobicContact CE2-CG 4.3Å; F19-R92 HydrophobicContact CZ-CB 4.49Å; F19-R92 HydrophobicContact CZ-CG 4.49Å; F19-Y98 HydrophobicContact CD1-CD1 4.33Å; F19-Y98 HydrophobicContact CD1-CG 4.33Å; F19-Y98 HydrophobicContact CE1-CG 4.43Å
20T91.3Very high93.4Very high79 Ų7948.2 Ų48.249%0.48528%0.284SS..  trans-73.988.4176.5-48.50000110.6T22 D23 Y24T20-T22 WeakPolarHBondContact CG2-OG1 3.47Å; T20-T22 PolarHBondContact O-N 3.16Å; T20-D23 WeakPolarHBondContact CB-OD2 3.24Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.36Å; T20-D23 PolarHBondContact O-N 3.22Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å
21F91.9Very high93.5Very high4 Ų449.6 Ų49.62%0.01829%0.289CS..G310 helixtrans-47.9-39.2-174.2178.6-102.1000113.8T16 F19 D23 Y24 M26 R66 N68 L73T16-F21 HydrophobicContact CG2-CD2 4.44Å; T16-F21 HydrophobicContact CG2-CE2 4.44Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.44Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.47Å; F19-F21 PolarHBondContact O-N 2.57Å; F21-D23 PolarHBondContact O-N 3.04Å; F21-D23 VanDerWaalsContact O-N 3.16Å; F21-Y24 PolarHBondContact O-N 2.79Å; F21-M26 HydrophobicContact CD2-CE 4.32Å; F21-M26 HydrophobicContact CD2-CG 4.1Å; F21-M26 HydrophobicContact CD2-SD 3.94Å; F21-M26 HydrophobicContact CE2-CE 3.97Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.86Å; F21-M26 HydrophobicContact CZ-CG 4.05Å; F21-R66 VanDerWaalsContact CD1-NH2 3.32Å; F21-R66 HydrophobicContact CE1-CB 4.06Å; F21-R66 HydrophobicContact CZ-CB 4Å; F21-R66 PolarHBondContact O-NH2 3.33Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N68 VanDerWaalsContact CE1-OD1 3.27Å; F21-N68 WeakPolarHBondContact CE1-OD1 2.98Å; F21-L73 HydrophobicContact CE2-CB 4.4Å; F21-L73 HydrophobicContact CZ-CB 4.35Å
22T93.4Very high93.5Very high54 Ų5444.1 Ų44.133%0.33127%0.271SS..G310 helixtrans-58.5-26.6-178.850.50000114.5T20 N45 N68T20-T22 WeakPolarHBondContact CG2-OG1 3.47Å; T20-T22 PolarHBondContact O-N 3.16Å; T22-N45 VanDerWaalsContact O-CB 3.25Å; T22-N45 WeakPolarHBondContact O-CB 3.43Å; T22-N68 HydrophobicContact CG2-CB 3.75Å
23D92.2Very high93.4Very high92 Ų9248.7 Ų48.749%0.49230%0.301SS..G310 helixtrans-90.1-21.2-169.4-59.2-11.9000111.7T20 F21 N45T20-D23 WeakPolarHBondContact CB-OD2 3.24Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.36Å; T20-D23 PolarHBondContact O-N 3.22Å; F21-D23 PolarHBondContact O-N 3.04Å; F21-D23 VanDerWaalsContact O-N 3.16Å; D23-N45 PolarHBondContact O-ND2 2.71Å
24Y93Very high93.4Very high91 Ų9149.4 Ų49.436%0.35732%0.321SS..SBendtrans-103.2153-173.4-62.9-86.4000112.9F19 T20 F21 R66 R92F19-Y24 HydrophobicContact CB-CE2 4.31Å; F19-Y24 AromaticContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CE2 4.1Å; F19-Y24 HydrophobicContact CD2-CG 4.34Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å; F21-Y24 PolarHBondContact O-N 2.79Å; Y24-R66 PolarHBondContact O-NH1 3.09Å; Y24-R92 HydrophobicContact CD1-CG 3.92Å; Y24-R92 HydrophobicContact CG-CG 3.88Å
25Y95.3Very high93.4Very high54 Ų5455.6 Ų55.621%0.21235%0.346CS..  trans-74.4152.5164.2-56.3-7.7000108.5I43 R44 N45 N48 G93Y25-I43 WeakPolarHBondContact CA-O 3.48Å; Y25-R44 HydrophobicContact CD1-CB 3.83Å; Y25-R44 HydrophobicContact CD1-CG 4.2Å; Y25-R44 HydrophobicContact CD2-CG 4.22Å; Y25-R44 HydrophobicContact CE1-CB 3.73Å; Y25-R44 HydrophobicContact CE1-CG 4.02Å; Y25-R44 HydrophobicContact CE2-CG 4.06Å; Y25-R44 HydrophobicContact CG-CB 4.35Å; Y25-R44 HydrophobicContact CG-CG 4.3Å; Y25-N45 HydrophobicContact CD1-CB 4.22Å; Y25-N45 HydrophobicContact CE1-CB 4.39Å; Y25-N48 HydrophobicContact CE1-CB 4.38Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.02Å; Y25-N48 VanDerWaalsContact OH-CG 3.3Å; Y25-N48 PolarHBondContact OH-OD1 2.84Å; Y25-G93 WeakPolarHBondContact O-CA 3.34Å; Y25-G93 PolarHBondContact O-N 2.94Å
26M95.8Very high93.5Very high2 Ų255.6 Ų55.61%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-129.9129.8-177.2-63.3-56.5-55.500109.5T16 F19 F21 F42 I43 L73T16-M26 HydrophobicContact CG2-CE 3.98Å; F19-M26 HydrophobicContact CE2-SD 3.99Å; F19-M26 HydrophobicContact CZ-CE 4.11Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F21-M26 HydrophobicContact CD2-CE 4.32Å; F21-M26 HydrophobicContact CD2-CG 4.1Å; F21-M26 HydrophobicContact CD2-SD 3.94Å; F21-M26 HydrophobicContact CE2-CE 3.97Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.86Å; F21-M26 HydrophobicContact CZ-CG 4.05Å; M26-F42 CarbonylContact O-C 3.59Å; M26-F42 WeakPolarHBondContact O-CA 3.4Å; M26-F42 VanDerWaalsContact O-CB 3.31Å; M26-F42 WeakPolarHBondContact O-CB 3.32Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.89Å; M26-I43 PolarHBondContact O-N 3.23Å; M26-L73 HydrophobicContact CB-CD1 3.56Å; M26-L73 HydrophobicContact CB-CD2 3.79Å; M26-L73 HydrophobicContact CB-CG 4.21Å; M26-L73 HydrophobicContact CG-CD1 4.36Å
27S96.3Very high93.8Very high1 Ų158.6 Ų58.61%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-111.9149.3-174.2-62.30000110.9G41 C90 A91S27-G41 CarbonylContact C-O 3.6Å; S27-G41 VanDerWaalsContact CA-O 3.31Å; S27-G41 WeakPolarHBondContact CA-O 3.34Å; S27-C90 CarbonylContact O-C 3.48Å; S27-C90 WeakPolarHBondContact O-CA 3.2Å; S27-A91 PolarHBondContact N-O 2.98Å; S27-A91 PolarHBondContact O-N 2.82Å
28W97Very high94.2Very high6 Ų656.3 Ų56.32%0.02334%0.338CS..EExtended strand (participates in β ladder)trans-107.5136.2162.1-78.698000109.8L12 C14 L40 G41 L73 Y74 L75 Y89 C90L12-W28 HydrophobicContact CB-CH2 3.9Å; L12-W28 HydrophobicContact CB-CZ2 4.37Å; L12-W28 HydrophobicContact CB-CZ3 4.45Å; L12-W28 HydrophobicContact CD1-CZ3 4.36Å; C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 4.13Å; W28-L40 HydrophobicContact CB-CB 4.26Å; W28-L40 WeakPolarHBondContact O-CB 3.23Å; W28-L40 PolarHBondContact O-N 3.43Å; W28-G41 PolarHBondContact N-O 3.45Å; W28-L73 HydrophobicContact CD2-CD2 4.31Å; W28-L73 HydrophobicContact CG-CD2 4.29Å; W28-L73 HydrophobicContact CZ2-CD2 4.24Å; W28-L73 HydrophobicContact CZ2-CG 4.32Å; W28-Y74 PolarHBondContact NE1-O 2.9Å; W28-L75 HydrophobicContact CB-CD2 4.37Å; W28-L75 HydrophobicContact CD2-CB 3.94Å; W28-L75 HydrophobicContact CD2-CD2 4.04Å; W28-L75 HydrophobicContact CD2-CG 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.3Å; W28-L75 HydrophobicContact CG-CB 4.21Å; W28-L75 HydrophobicContact CG-CD1 4.18Å; W28-L75 HydrophobicContact CG-CD2 4.07Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CZ2-CB 3.91Å; W28-Y89 WeakPolarHBondContact CA-O 3.37Å; W28-Y89 VanDerWaalsContact CE3-O 3.32Å; W28-C90 HydrophobicContact CH2-CB 4.41Å; W28-C90 HydrophobicContact CZ3-CB 4.39Å
29V96.6Very high94.7Very high4 Ų457 Ų572%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-131.4146177.3-176.70000107.1L37 E38 Y88 Y89 F96 W99V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.48Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; V29-Y88 CarbonylContact O-C 3.5Å; V29-Y89 PolarHBondContact N-O 2.95Å; V29-Y89 PolarHBondContact O-N 2.93Å; V29-F96 HydrophobicContact CG2-CD1 4.27Å; V29-F96 HydrophobicContact CG2-CE1 3.63Å; V29-W99 HydrophobicContact CB-CH2 4.1Å; V29-W99 HydrophobicContact CB-CZ3 3.77Å; V29-W99 HydrophobicContact CG1-CH2 3.95Å; V29-W99 HydrophobicContact CG1-CZ3 3.88Å; V29-W99 HydrophobicContact CG2-CH2 3.88Å; V29-W99 HydrophobicContact CG2-CZ3 3.92Å
30R96.9Very high95.1Very high16 Ų1655.4 Ų55.46%0.0631%0.313CS..EExtended strand (participates in β ladder)trans-124.6155.417170.4174.7177-166.6-3.4111.8L37 E38 L40 D84 A86 T87 Y88R30-L37 CarbonylContact O-C 3.53Å; R30-L37 WeakPolarHBondContact O-CA 3.31Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 3.8Å; R30-E38 VanDerWaalsContact CZ-OE2 3.24Å; R30-E38 PolarHBondContact N-O 3.02Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 2.82Å; R30-E38 IonicContact NH2-OE1 3.73Å; R30-E38 PolarHBondContact NH2-OE1 3.18Å; R30-E38 IonicContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 3.11Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.09Å; R30-L40 HydrophobicContact CG-CD2 3.79Å; R30-L40 HydrophobicContact CG-CG 4.07Å; R30-D84 IonicContact NH1-OD1 3.49Å; R30-D84 PolarHBondContact NH1-OD1 2.9Å; R30-A86 HydrophobicContact CB-CB 3.87Å; R30-A86 HydrophobicContact CG-CB 4.26Å; R30-T87 CarbonylContact C-O 3.54Å; R30-T87 VanDerWaalsContact CA-O 3.23Å; R30-T87 WeakPolarHBondContact CA-O 3.31Å; R30-Y88 HydrophobicContact CB-CD1 4.04Å; R30-Y88 HydrophobicContact CB-CE1 4.03Å; R30-Y88 HydrophobicContact CB-CG 4.32Å
31Q97.3Very high95.4Very high77 Ų7751.7 Ų51.736%0.3629%0.289SS..EExtended strand (participates in β ladder)trans-124.2103.7170.4-167.5178.627.700109.4K35 L37 A86 T87 Y89Q31-K35 WeakPolarHBondContact CG-O 3.28Å; Q31-K35 PolarHBondContact NE2-O 3.31Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.31Å; Q31-A86 WeakPolarHBondContact O-CA 3.24Å; Q31-A86 WeakPolarHBondContact O-CB 3.32Å; Q31-T87 PolarHBondContact N-O 3.48Å; Q31-T87 PolarHBondContact O-N 3.04Å; Q31-Y89 HydrophobicContact CB-CE2 3.9Å
32P96.2Very high95.6Very high17 Ų1752.2 Ų52.211%0.1129%0.292CS..  trans-65.6152.9169.8-17.130.4000110.9G34 K35 A86P32-G34 PolarHBondContact O-N 2.76Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.2Å; P32-K35 HydrophobicContact CG-CB 4.24Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 2.85Å; P32-A86 HydrophobicContact CG-CB 4.48Å
33P94.3Very high95.8Very high111 Ų11150.1 Ų50.172%0.72128%0.278SS*.THydrogen-bonded Turntrans-54.3126178.1-25.334.2000112.1K35 S85P33-K35 PolarHBondContact O-N 2.84Å; P33-S85 WeakPolarHBondContact CD-O 3.43Å
34G95.4Very high95.9Very high95 Ų9548.5 Ų48.598%0.97927%0.265SS*.THydrogen-bonded Turntrans69.611.4179.600000115.4P32P32-G34 PolarHBondContact O-N 2.76Å
35K95.6Very high96Very high144 Ų14445.1 Ų45.163%0.62625%0.253SS*.SBendtrans-118.1164.4179.8-60.3-169-176.2177.30112.2Q31 P32 P33Q31-K35 WeakPolarHBondContact CG-O 3.28Å; Q31-K35 PolarHBondContact NE2-O 3.31Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.2Å; P32-K35 HydrophobicContact CG-CB 4.24Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 2.85Å; P33-K35 PolarHBondContact O-N 2.84Å
36A95.4Very high95.9Very high81 Ų8149.6 Ų49.667%0.66927%0.274SS*.  trans-67.5165.2172.400000111.8
37L95.4Very high95.9Very high91 Ų9153.8 Ų53.848%0.47631%0.309SS..  trans-64.6135.8172.3-71.9163.8000110.7V29 R30 Q31 Y89 W99V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; R30-L37 CarbonylContact O-C 3.53Å; R30-L37 WeakPolarHBondContact O-CA 3.31Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.31Å; L37-Y89 HydrophobicContact CD2-CD2 4.15Å; L37-Y89 HydrophobicContact CD2-CE2 4.12Å; L37-W99 HydrophobicContact CD1-CH2 4.01Å; L37-W99 HydrophobicContact CD1-CZ3 4.38Å; L37-W99 HydrophobicContact CD2-CZ3 4.35Å
38E95.9Very high95.8Very high57 Ų5757.1 Ų57.127%0.26633%0.327SS..EExtended strand (participates in β ladder)trans-119.2120.8176.8-175.6-168.817000109.3V29 R30 L40 S57V29-E38 CarbonylContact C-O 3.48Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 3.8Å; R30-E38 VanDerWaalsContact CZ-OE2 3.24Å; R30-E38 PolarHBondContact N-O 3.02Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 2.82Å; R30-E38 IonicContact NH2-OE1 3.73Å; R30-E38 PolarHBondContact NH2-OE1 3.18Å; R30-E38 IonicContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 3.11Å; E38-L40 HydrophobicContact CG-CD2 4.48Å; E38-S57 VanDerWaalsContact OE1-CB 3.27Å; E38-S57 WeakPolarHBondContact OE1-CB 3.45Å; E38-S57 PolarHBondContact OE1-OG 3.07Å
39W95.9Very high95.7Very high86 Ų8659.5 Ų59.533%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-71132.6171.1174.482.2000110.6G41 F42 E53 S55 F96W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-F42 HydrophobicContact CH2-CD1 4.38Å; W39-F42 HydrophobicContact CZ2-CB 4.44Å; W39-F42 AromaticContact CZ2-CD1 3.43Å; W39-F42 HydrophobicContact CZ2-CD1 3.43Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.43Å; W39-F42 AromaticContact CZ2-CE1 3.98Å; W39-F42 HydrophobicContact CZ2-CE1 3.98Å; W39-F42 HydrophobicContact CZ2-CG 4.28Å; W39-E53 HydrophobicContact CH2-CB 4.23Å; W39-S55 VanDerWaalsContact O-CB 3.31Å; W39-S55 WeakPolarHBondContact O-CB 3.31Å; W39-S55 PolarHBondContact O-OG 3.04Å; W39-F96 AromaticContact CD1-CZ 3.84Å
40L96.6Very high95.7Very high2 Ų263.8 Ų63.81%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-103.2-34.2-177-63.8-173.6000113.5W28 R30 E38 Y54 S55 V58 F62 L75 Y88W28-L40 HydrophobicContact CB-CB 4.26Å; W28-L40 WeakPolarHBondContact O-CB 3.23Å; W28-L40 PolarHBondContact O-N 3.43Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.09Å; R30-L40 HydrophobicContact CG-CD2 3.79Å; R30-L40 HydrophobicContact CG-CG 4.07Å; E38-L40 HydrophobicContact CG-CD2 4.48Å; L40-Y54 CarbonylContact O-C 3.48Å; L40-Y54 WeakPolarHBondContact O-CA 3.33Å; L40-S55 PolarHBondContact O-N 3.07Å; L40-S55 PolarHBondContact O-OG 3.05Å; L40-V58 HydrophobicContact CB-CG2 4.29Å; L40-V58 HydrophobicContact CD2-CG1 3.78Å; L40-V58 WeakPolarHBondContact O-CG2 3.49Å; L40-F62 HydrophobicContact CD1-CE2 4.44Å; L40-L75 HydrophobicContact CD1-CD2 4.29Å; L40-Y88 HydrophobicContact CD1-CD1 3.83Å; L40-Y88 HydrophobicContact CD1-CE1 3.48Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.48Å
41G96.4Very high95.7Very high0 Ų066 Ų660%039%0.385CS..EExtended strand (participates in β ladder)trans167167.6-17300000112.4S27 W28 W39 E53S27-G41 CarbonylContact C-O 3.6Å; S27-G41 VanDerWaalsContact CA-O 3.31Å; S27-G41 WeakPolarHBondContact CA-O 3.34Å; W28-G41 PolarHBondContact N-O 3.45Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 PolarHBondContact NE1-O 2.83Å; G41-E53 CarbonylContact C-O 3.52Å; G41-E53 WeakPolarHBondContact CA-O 3.44Å
42F96.7Very high95.7Very high16 Ų1665 Ų657%0.0738%0.384CS..EExtended strand (participates in β ladder)trans-139.4163.4168.469.7-106.8000111.6M26 W39 R44 T52 E53M26-F42 CarbonylContact O-C 3.59Å; M26-F42 WeakPolarHBondContact O-CA 3.4Å; M26-F42 VanDerWaalsContact O-CB 3.31Å; M26-F42 WeakPolarHBondContact O-CB 3.32Å; W39-F42 HydrophobicContact CH2-CD1 4.38Å; W39-F42 HydrophobicContact CZ2-CB 4.44Å; W39-F42 AromaticContact CZ2-CD1 3.43Å; W39-F42 HydrophobicContact CZ2-CD1 3.43Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.43Å; W39-F42 AromaticContact CZ2-CE1 3.98Å; W39-F42 HydrophobicContact CZ2-CE1 3.98Å; W39-F42 HydrophobicContact CZ2-CG 4.28Å; F42-R44 HydrophobicContact CD2-CG 4.04Å; F42-R44 HydrophobicContact CE2-CG 3.54Å; F42-T52 VanDerWaalsContact O-CA 3.31Å; F42-T52 WeakPolarHBondContact O-CA 3.39Å; F42-E53 HydrophobicContact CD1-CB 4.48Å; F42-E53 HydrophobicContact CE1-CB 3.89Å; F42-E53 HydrophobicContact CE1-CG 4.37Å; F42-E53 HydrophobicContact CE2-CB 4.36Å; F42-E53 HydrophobicContact CE2-CG 4.41Å; F42-E53 HydrophobicContact CZ-CB 3.81Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.86Å; F42-E53 PolarHBondContact N-O 3.26Å; F42-E53 PolarHBondContact O-N 2.61Å; F42-E53 VanDerWaalsContact O-N 3.16Å
43I97.1Very high95.7Very high9 Ų968.2 Ų68.25%0.04640%0.397CS..EExtended strand (participates in β ladder)trans-120.2128.6166.8-173.9161.5000109.7Y25 M26 T52 I64 R66 L73Y25-I43 WeakPolarHBondContact CA-O 3.48Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.89Å; M26-I43 PolarHBondContact O-N 3.23Å; I43-T52 HydrophobicContact CB-CG2 3.83Å; I43-T52 HydrophobicContact CD1-CG2 3.89Å; I43-T52 HydrophobicContact CG1-CG2 3.72Å; I43-I64 HydrophobicContact CB-CG2 3.75Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; I43-R66 HydrophobicContact CD1-CG 3.91Å; I43-R66 HydrophobicContact CG2-CB 4.46Å; I43-L73 HydrophobicContact CG2-CD1 3.58Å
44R95.8Very high95.8Very high58 Ų5865.6 Ų65.622%0.21937%0.374CS..  trans-71.5165.6175.5-58.1-162.7172.980.30.4111.3Y25 F42 N48 T51 E53 R66Y25-R44 HydrophobicContact CD1-CB 3.83Å; Y25-R44 HydrophobicContact CD1-CG 4.2Å; Y25-R44 HydrophobicContact CD2-CG 4.22Å; Y25-R44 HydrophobicContact CE1-CB 3.73Å; Y25-R44 HydrophobicContact CE1-CG 4.02Å; Y25-R44 HydrophobicContact CE2-CG 4.06Å; Y25-R44 HydrophobicContact CG-CB 4.35Å; Y25-R44 HydrophobicContact CG-CG 4.3Å; F42-R44 HydrophobicContact CD2-CG 4.04Å; F42-R44 HydrophobicContact CE2-CG 3.54Å; R44-N48 HydrophobicContact CB-CB 3.77Å; R44-N48 HydrophobicContact CG-CB 4.31Å; R44-T51 VanDerWaalsContact CD-OG1 3.26Å; R44-T51 WeakPolarHBondContact CD-OG1 2.86Å; R44-T51 WeakPolarHBondContact CG-OG1 3.47Å; R44-T51 PolarHBondContact N-O 3.11Å; R44-T51 PolarHBondContact NH1-OG1 3.06Å; R44-E53 IonicContact CZ-OE1 2.83Å; R44-E53 VanDerWaalsContact CZ-OE1 3.32Å; R44-E53 IonicContact NH1-OE1 3.08Å; R44-E53 PolarHBondContact NH1-OE1 3.39Å; R44-E53 VanDerWaalsContact NH1-OE1 3.08Å; R44-E53 IonicContact NH2-OE1 3.33Å; R44-E53 PolarHBondContact NH2-OE1 3.48Å; R44-R66 PolarHBondContact O-NH1 3.45Å
45N94.7Very high95.9Very high20 Ų2061.9 Ų61.911%0.10733%0.332CS..  trans-72178.9174.667.88.6000111.7T22 D23 Y25 A47 N48 G49 Y50T22-N45 VanDerWaalsContact O-CB 3.25Å; T22-N45 WeakPolarHBondContact O-CB 3.43Å; D23-N45 PolarHBondContact O-ND2 2.71Å; Y25-N45 HydrophobicContact CD1-CB 4.22Å; Y25-N45 HydrophobicContact CE1-CB 4.39Å; N45-A47 VanDerWaalsContact C-N 3.3Å; N45-A47 PolarHBondContact O-N 2.92Å; N45-A47 PolarHBondContact OD1-N 2.86Å; N45-N48 PolarHBondContact O-N 3.37Å; N45-N48 PolarHBondContact OD1-N 2.7Å; N45-N48 VanDerWaalsContact OD1-N 3.09Å; N45-N48 PolarHBondContact OD1-OD1 3.4Å; N45-G49 PolarHBondContact O-N 3.31Å; N45-Y50 PolarHBondContact O-N 2.89Å; N45-Y50 VanDerWaalsContact O-N 3.15Å
46K93.8Very high95.9Very high149 Ų14959.8 Ų59.865%0.64834%0.342SS*.G310 helixtrans-60-40.2179.2-172.6176.4178.2-177.70112.3N48 G49 Y50K46-N48 PolarHBondContact O-N 2.89Å; K46-G49 PolarHBondContact O-N 3.42Å; K46-Y50 HydrophobicContact CB-CE1 3.84Å; K46-Y50 HydrophobicContact CB-CE2 4.13Å; K46-Y50 WeakPolarHBondContact CB-OH 3.15Å; K46-Y50 HydrophobicContact CG-CE1 4.47Å; K46-Y50 HydrophobicContact CG-CE2 3.87Å; K46-Y50 WeakPolarHBondContact CG-OH 3.18Å
47A94.3Very high95.8Very high89 Ų8957.9 Ų57.974%0.73632%0.324SS*.G310 helixtrans-61.3-28.2-178.400000112.5N45N45-A47 VanDerWaalsContact C-N 3.3Å; N45-A47 PolarHBondContact O-N 2.92Å; N45-A47 PolarHBondContact OD1-N 2.86Å
48N95.1Very high95.8Very high72 Ų7253.6 Ų53.639%0.38530%0.301SS..G310 helixtrans-105.628.2177.3-58.9104.7000113Y25 R44 N45 K46 Y50 T51Y25-N48 HydrophobicContact CE1-CB 4.38Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.02Å; Y25-N48 VanDerWaalsContact OH-CG 3.3Å; Y25-N48 PolarHBondContact OH-OD1 2.84Å; R44-N48 HydrophobicContact CB-CB 3.77Å; R44-N48 HydrophobicContact CG-CB 4.31Å; N45-N48 PolarHBondContact O-N 3.37Å; N45-N48 PolarHBondContact OD1-N 2.7Å; N45-N48 VanDerWaalsContact OD1-N 3.09Å; N45-N48 PolarHBondContact OD1-OD1 3.4Å; K46-N48 PolarHBondContact O-N 2.89Å; N48-Y50 VanDerWaalsContact C-N 3.31Å; N48-Y50 PolarHBondContact O-N 2.89Å; N48-T51 PolarHBondContact O-OG1 3.01Å
49G95.2Very high95.8Very high55 Ų5558.3 Ų58.357%0.56732%0.321SS*.THydrogen-bonded Turntrans70.419.7167.400000115.4N45 K46 T51N45-G49 PolarHBondContact O-N 3.31Å; K46-G49 PolarHBondContact O-N 3.42Å; G49-T51 PolarHBondContact O-N 3.17Å
50Y95.9Very high95.8Very high94 Ų9458 Ų5837%0.36935%0.345SS..THydrogen-bonded Turntrans54.126.4-176.9-56.9-64.4000114.4N45 K46 N48 R66 N68N45-Y50 PolarHBondContact O-N 2.89Å; N45-Y50 VanDerWaalsContact O-N 3.15Å; K46-Y50 HydrophobicContact CB-CE1 3.84Å; K46-Y50 HydrophobicContact CB-CE2 4.13Å; K46-Y50 WeakPolarHBondContact CB-OH 3.15Å; K46-Y50 HydrophobicContact CG-CE1 4.47Å; K46-Y50 HydrophobicContact CG-CE2 3.87Å; K46-Y50 WeakPolarHBondContact CG-OH 3.18Å; N48-Y50 VanDerWaalsContact C-N 3.31Å; N48-Y50 PolarHBondContact O-N 2.89Å; Y50-R66 HydrophobicContact CD1-CG 4.41Å; Y50-R66 HydrophobicContact CE1-CG 4.43Å; Y50-N68 PolarHBondContact OH-ND2 3.35Å
51T96.4Very high95.8Very high63 Ų6359.1 Ų59.139%0.38735%0.349SS..  trans-61.3144.3178.351.20000110.5R44 N48 G49R44-T51 VanDerWaalsContact CD-OG1 3.26Å; R44-T51 WeakPolarHBondContact CD-OG1 2.86Å; R44-T51 WeakPolarHBondContact CG-OG1 3.47Å; R44-T51 PolarHBondContact N-O 3.11Å; R44-T51 PolarHBondContact NH1-OG1 3.06Å; N48-T51 PolarHBondContact O-OG1 3.01Å; G49-T51 PolarHBondContact O-N 3.17Å
52T97Very high95.8Very high55 Ų5559.4 Ų59.434%0.33735%0.35SS..EExtended strand (participates in β ladder)trans-120.6143.9-178.150.70000110.7F42 I43 Y54F42-T52 VanDerWaalsContact O-CA 3.31Å; F42-T52 WeakPolarHBondContact O-CA 3.39Å; I43-T52 HydrophobicContact CB-CG2 3.83Å; I43-T52 HydrophobicContact CD1-CG2 3.89Å; I43-T52 HydrophobicContact CG1-CG2 3.72Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.43Å; T52-Y54 PolarHBondContact OG1-OH 2.84Å
53E96.4Very high95.9Very high86 Ų8662 Ų6240%0.40237%0.367SS..EExtended strand (participates in β ladder)trans-128.1145.9171.3-71.6177.4-143.800108.7W39 G41 F42 R44W39-E53 HydrophobicContact CH2-CB 4.23Å; G41-E53 CarbonylContact C-O 3.52Å; G41-E53 WeakPolarHBondContact CA-O 3.44Å; F42-E53 HydrophobicContact CD1-CB 4.48Å; F42-E53 HydrophobicContact CE1-CB 3.89Å; F42-E53 HydrophobicContact CE1-CG 4.37Å; F42-E53 HydrophobicContact CE2-CB 4.36Å; F42-E53 HydrophobicContact CE2-CG 4.41Å; F42-E53 HydrophobicContact CZ-CB 3.81Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.86Å; F42-E53 PolarHBondContact N-O 3.26Å; F42-E53 PolarHBondContact O-N 2.61Å; F42-E53 VanDerWaalsContact O-N 3.16Å; R44-E53 IonicContact CZ-OE1 2.83Å; R44-E53 VanDerWaalsContact CZ-OE1 3.32Å; R44-E53 IonicContact NH1-OE1 3.08Å; R44-E53 PolarHBondContact NH1-OE1 3.39Å; R44-E53 VanDerWaalsContact NH1-OE1 3.08Å; R44-E53 IonicContact NH2-OE1 3.33Å; R44-E53 PolarHBondContact NH2-OE1 3.48Å
54Y97.4Very high95.9Very high56 Ų5661.9 Ų61.922%0.2237%0.367CS..EExtended strand (participates in β ladder)trans-132.6145-174-60.8-88.1000109.7L40 T52 V58 F62 I64L40-Y54 CarbonylContact O-C 3.48Å; L40-Y54 WeakPolarHBondContact O-CA 3.33Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.43Å; T52-Y54 PolarHBondContact OG1-OH 2.84Å; Y54-V58 HydrophobicContact CD1-CG2 4.4Å; Y54-F62 VanDerWaalsContact CE1-O 3.29Å; Y54-F62 WeakPolarHBondContact CE1-O 3.33Å; Y54-I64 HydrophobicContact CD1-CD1 4.4Å; Y54-I64 HydrophobicContact CE1-CB 4.38Å; Y54-I64 HydrophobicContact CE1-CD1 4.02Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 2.94Å
55S96.3Very high96Very high16 Ų1661 Ų6111%0.11237%0.37CS..  trans-66.9156.6167.772.20000110.6W39 L40 S57 V58 K59W39-S55 VanDerWaalsContact O-CB 3.31Å; W39-S55 WeakPolarHBondContact O-CB 3.31Å; W39-S55 PolarHBondContact O-OG 3.04Å; L40-S55 PolarHBondContact O-N 3.07Å; L40-S55 PolarHBondContact O-OG 3.05Å; S55-S57 PolarHBondContact O-N 2.81Å; S55-S57 VanDerWaalsContact O-N 3.17Å; S55-S57 PolarHBondContact OG-OG 3.26Å; S55-V58 PolarHBondContact O-N 2.81Å; S55-K59 WeakPolarHBondContact O-CB 3.31Å; S55-K59 PolarHBondContact O-N 2Å; S55-K59 VanDerWaalsContact O-N 3.11Å
56A95.9Very high96.1Very high101 Ų10161.6 Ų61.684%0.83537%0.37SS*.THydrogen-bonded Turntrans-60-27.1179.600000113V58A56-V58 VanDerWaalsContact C-N 3.32Å; A56-V58 PolarHBondContact O-N 2.8Å
57S93.3Very high96.2Very high41 Ų4156.7 Ų56.729%0.28735%0.351SS..THydrogen-bonded Turntrans-71-23.9-176.557.80000114E38 S55 R61E38-S57 VanDerWaalsContact OE1-CB 3.27Å; E38-S57 WeakPolarHBondContact OE1-CB 3.45Å; E38-S57 PolarHBondContact OE1-OG 3.07Å; S55-S57 PolarHBondContact O-N 2.81Å; S55-S57 VanDerWaalsContact O-N 3.17Å; S55-S57 PolarHBondContact OG-OG 3.26Å; S57-R61 PolarHBondContact O-NH2 3.02Å
58V95.8Very high96.2Very high0 Ų054.2 Ų54.20%033%0.326CS..THydrogen-bonded Turntrans-123.6-6.8-175.6-57.80000114.1L40 Y54 S55 A56 G60 R61 F62L40-V58 HydrophobicContact CB-CG2 4.29Å; L40-V58 HydrophobicContact CD2-CG1 3.78Å; L40-V58 WeakPolarHBondContact O-CG2 3.49Å; Y54-V58 HydrophobicContact CD1-CG2 4.4Å; S55-V58 PolarHBondContact O-N 2.81Å; A56-V58 VanDerWaalsContact C-N 3.32Å; A56-V58 PolarHBondContact O-N 2.8Å; V58-G60 PolarHBondContact O-N 3.41Å; V58-R61 PolarHBondContact O-N 2.82Å; V58-F62 HydrophobicContact CB-CB 4.08Å; V58-F62 HydrophobicContact CB-CD1 4.43Å; V58-F62 HydrophobicContact CB-CD2 3.55Å; V58-F62 HydrophobicContact CB-CE2 3.99Å; V58-F62 HydrophobicContact CB-CG 3.78Å; V58-F62 HydrophobicContact CG1-CD2 3.49Å; V58-F62 VanDerWaalsContact CG1-CD2 3.49Å; V58-F62 HydrophobicContact CG1-CE2 3.41Å; V58-F62 VanDerWaalsContact CG1-CE2 3.41Å; V58-F62 HydrophobicContact CG1-CG 4.16Å; V58-F62 HydrophobicContact CG1-CZ 4.02Å; V58-F62 HydrophobicContact CG2-CB 4.4Å; V58-F62 HydrophobicContact CG2-CD2 4.18Å; V58-F62 PolarHBondContact O-N 2.87Å; V58-F62 VanDerWaalsContact O-N 3.07Å
59K95.7Very high96.1Very high156 Ų15655.9 Ų55.968%0.67834%0.343SS*.THydrogen-bonded Turntrans-54.7129.9179.3-169.2171.8-175.3176.60111S55 R61S55-K59 WeakPolarHBondContact O-CB 3.31Å; S55-K59 PolarHBondContact O-N 2Å; S55-K59 VanDerWaalsContact O-N 3.11Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 2.88Å
60G95.8Very high96.1Very high81 Ų8158.5 Ų58.584%0.83534%0.34SS*.THydrogen-bonded Turntrans80.9-5.1-178.600000115.2V58V58-G60 PolarHBondContact O-N 3.41Å
61R96.7Very high96.1Very high25 Ų2555.8 Ų55.89%0.09434%0.335CS..THydrogen-bonded Turntrans-113.5-39.1176.6-60.5-167.6-58.2120.5-0.1112.5S57 V58 K59 N78 T79 D84S57-R61 PolarHBondContact O-NH2 3.02Å; V58-R61 PolarHBondContact O-N 2.82Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 2.88Å; R61-N78 WeakPolarHBondContact O-CB 3.15Å; R61-N78 PolarHBondContact O-N 2.84Å; R61-T79 PolarHBondContact NH1-O 2.8Å; R61-D84 IonicContact CZ-OD1 3.37Å; R61-D84 IonicContact CZ-OD2 2.61Å; R61-D84 IonicContact NH1-OD1 3.46Å; R61-D84 IonicContact NH1-OD2 3.45Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 2.7Å; R61-D84 PolarHBondContact NH2-OD1 3.49Å; R61-D84 IonicContact NH2-OD2 3.6Å; R61-D84 PolarHBondContact NH2-OD2 3.01Å
62F97.3Very high96.1Very high5 Ų554.1 Ų54.12%0.02232%0.324CS..EExtended strand (participates in β ladder)trans-107.2148.8-176.4-63.15.2000111.1L40 Y54 V58 L75 Q76 M77 L80 D84 Y88L40-F62 HydrophobicContact CD1-CE2 4.44Å; Y54-F62 VanDerWaalsContact CE1-O 3.29Å; Y54-F62 WeakPolarHBondContact CE1-O 3.33Å; V58-F62 HydrophobicContact CB-CB 4.08Å; V58-F62 HydrophobicContact CB-CD1 4.43Å; V58-F62 HydrophobicContact CB-CD2 3.55Å; V58-F62 HydrophobicContact CB-CE2 3.99Å; V58-F62 HydrophobicContact CB-CG 3.78Å; V58-F62 HydrophobicContact CG1-CD2 3.49Å; V58-F62 VanDerWaalsContact CG1-CD2 3.49Å; V58-F62 HydrophobicContact CG1-CE2 3.41Å; V58-F62 VanDerWaalsContact CG1-CE2 3.41Å; V58-F62 HydrophobicContact CG1-CG 4.16Å; V58-F62 HydrophobicContact CG1-CZ 4.02Å; V58-F62 HydrophobicContact CG2-CB 4.4Å; V58-F62 HydrophobicContact CG2-CD2 4.18Å; V58-F62 PolarHBondContact O-N 2.87Å; V58-F62 VanDerWaalsContact O-N 3.07Å; F62-L75 HydrophobicContact CB-CD1 4.08Å; F62-L75 HydrophobicContact CD2-CD1 4.28Å; F62-L75 HydrophobicContact CD2-CD2 4.16Å; F62-L75 HydrophobicContact CD2-CG 4.39Å; F62-Q76 CarbonylContact C-O 3.53Å; F62-Q76 WeakPolarHBondContact CA-O 3.25Å; F62-M77 HydrophobicContact CD1-CB 3.86Å; F62-M77 HydrophobicContact CD1-CG 4.07Å; F62-M77 HydrophobicContact CD2-CG 3.98Å; F62-M77 HydrophobicContact CE1-CB 3.8Å; F62-M77 HydrophobicContact CE1-CE 4.35Å; F62-M77 HydrophobicContact CE1-CG 4.13Å; F62-M77 HydrophobicContact CE2-CE 3.85Å; F62-M77 HydrophobicContact CE2-CG 4.02Å; F62-M77 HydrophobicContact CE2-SD 4.45Å; F62-M77 HydrophobicContact CG-CB 4.33Å; F62-M77 HydrophobicContact CG-CG 4.04Å; F62-M77 HydrophobicContact CZ-CB 4.18Å; F62-M77 HydrophobicContact CZ-CE 3.67Å; F62-M77 HydrophobicContact CZ-CG 4.11Å; F62-L80 HydrophobicContact CE1-CD2 4.19Å; F62-L80 HydrophobicContact CZ-CD2 4.13Å; F62-D84 HydrophobicContact CZ-CB 4.35Å; F62-Y88 HydrophobicContact CE2-CE1 4.3Å
63T98.1Very high96.1Very high70 Ų7051.5 Ų51.543%0.42931%0.307SS..EExtended strand (participates in β ladder)trans-131.9122.1178.1-53.60000109.7Q76T63-Q76 PolarHBondContact N-O 2.86Å; T63-Q76 PolarHBondContact O-N 2.89Å
64I97.9Very high96.2Very high7 Ų749.1 Ų49.14%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-90.6133.4174.5-60.3169000108.7I43 Y54 L73 Y74 L75I43-I64 HydrophobicContact CB-CG2 3.75Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; Y54-I64 HydrophobicContact CD1-CD1 4.4Å; Y54-I64 HydrophobicContact CE1-CB 4.38Å; Y54-I64 HydrophobicContact CE1-CD1 4.02Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 2.94Å; I64-L73 HydrophobicContact CG2-CD1 3.86Å; I64-Y74 WeakPolarHBondContact CA-O 3.31Å; I64-L75 HydrophobicContact CD1-CD1 4.46Å; I64-L75 HydrophobicContact CG1-CD1 3.59Å
65S97.6Very high96.2Very high40 Ų4046.6 Ų46.628%0.2829%0.285SS..EExtended strand (participates in β ladder)trans-140.5165171.356.80000110.5Y74S65-Y74 PolarHBondContact N-O 2.96Å; S65-Y74 VanDerWaalsContact N-O 3.08Å; S65-Y74 PolarHBondContact O-N 3.36Å
66R96.7Very high96.3Very high32 Ų3248.4 Ų48.412%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-140.2143.9-176.562-173.6-70.1164.86.1111.4F21 Y24 I43 R44 Y50 N68 I72 L73F21-R66 VanDerWaalsContact CD1-NH2 3.32Å; F21-R66 HydrophobicContact CE1-CB 4.06Å; F21-R66 HydrophobicContact CZ-CB 4Å; F21-R66 PolarHBondContact O-NH2 3.33Å; Y24-R66 PolarHBondContact O-NH1 3.09Å; I43-R66 HydrophobicContact CD1-CG 3.91Å; I43-R66 HydrophobicContact CG2-CB 4.46Å; R44-R66 PolarHBondContact O-NH1 3.45Å; Y50-R66 HydrophobicContact CD1-CG 4.41Å; Y50-R66 HydrophobicContact CE1-CG 4.43Å; R66-N68 VanDerWaalsContact CZ-OD1 3.29Å; R66-N68 PolarHBondContact NE-OD1 3.04Å; R66-N68 PolarHBondContact NH2-OD1 3.16Å; R66-I72 CarbonylContact C-O 3.6Å; R66-I72 WeakPolarHBondContact CA-O 3.33Å; R66-L73 HydrophobicContact CB-CD1 4.22Å
67D95.8Very high96.3Very high46 Ų4643.6 Ų43.625%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-114109.1168.1-175.7-18.7000108.9S69 Q70 S71 I72 Y74D67-S69 WeakPolarHBondContact OD1-CB 3.49Å; D67-S69 PolarHBondContact OD1-N 2.99Å; D67-S69 PolarHBondContact OD1-OG 3.32Å; D67-Q70 HydrophobicContact CB-CB 4.42Å; D67-Q70 PolarHBondContact OD1-N 3.32Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.29Å; D67-Q70 PolarHBondContact OD2-OE1 2.69Å; D67-S71 WeakPolarHBondContact O-CA 3.01Å; D67-S71 PolarHBondContact O-N 3.08Å; D67-I72 PolarHBondContact N-O 3.39Å; D67-I72 PolarHBondContact O-N 2.79Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å
68N94.4Very high96.4Very high38 Ų3844.1 Ų44.120%0.20325%0.252CS..THydrogen-bonded Turntrans-74.8-27.2-178.6-74.7-14.8000113.3F21 T22 Y50 R66 Q70F21-N68 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N68 VanDerWaalsContact CE1-OD1 3.27Å; F21-N68 WeakPolarHBondContact CE1-OD1 2.98Å; T22-N68 HydrophobicContact CG2-CB 3.75Å; Y50-N68 PolarHBondContact OH-ND2 3.35Å; R66-N68 VanDerWaalsContact CZ-OD1 3.29Å; R66-N68 PolarHBondContact NE-OD1 3.04Å; R66-N68 PolarHBondContact NH2-OD1 3.16Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.99Å
69S93.4Very high96.3Very high106 Ų10648 Ų4874%0.74128%0.276SS*.THydrogen-bonded Turntrans-69.7-30.8178.770.70000111.5D67D67-S69 WeakPolarHBondContact OD1-CB 3.49Å; D67-S69 PolarHBondContact OD1-N 2.99Å; D67-S69 PolarHBondContact OD1-OG 3.32Å
70Q94.9Very high96.2Very high110 Ų11040.7 Ų40.751%0.51424%0.244SC..THydrogen-bonded Turntrans-102.5-6.3-179.8-59.1-175.8-1700113.2D67 N68 I72D67-Q70 HydrophobicContact CB-CB 4.42Å; D67-Q70 PolarHBondContact OD1-N 3.32Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.29Å; D67-Q70 PolarHBondContact OD2-OE1 2.69Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.99Å; Q70-I72 VanDerWaalsContact C-N 3.26Å; Q70-I72 HydrophobicContact CB-CB 4.42Å; Q70-I72 HydrophobicContact CB-CD1 3.78Å; Q70-I72 HydrophobicContact CB-CG1 3.75Å; Q70-I72 WeakPolarHBondContact O-CG1 3.29Å; Q70-I72 PolarHBondContact O-N 3.07Å
71S94.7Very high96.1Very high37 Ų3742.8 Ų42.826%0.25923%0.227SC..THydrogen-bonded Turntrans54.341.5-171.5-57.70000113.2T16 D67T16-S71 PolarHBondContact N-O 3.4Å; T16-S71 PolarHBondContact OG1-O 2.87Å; D67-S71 WeakPolarHBondContact O-CA 3.01Å; D67-S71 PolarHBondContact O-N 3.08Å
72I96.8Very high95.9Very high28 Ų2844.5 Ų44.514%0.14425%0.247CC..EExtended strand (participates in β ladder)trans-112.4131-177.7-57.6-179.1000111C14 A15 R66 D67 Q70 Y74C14-I72 CarbonylContact O-C 3.54Å; C14-I72 WeakPolarHBondContact O-CA 3.27Å; A15-I72 HydrophobicContact CB-CG1 4.24Å; R66-I72 CarbonylContact C-O 3.6Å; R66-I72 WeakPolarHBondContact CA-O 3.33Å; D67-I72 PolarHBondContact N-O 3.39Å; D67-I72 PolarHBondContact O-N 2.79Å; Q70-I72 VanDerWaalsContact C-N 3.26Å; Q70-I72 HydrophobicContact CB-CB 4.42Å; Q70-I72 HydrophobicContact CB-CD1 3.78Å; Q70-I72 HydrophobicContact CB-CG1 3.75Å; Q70-I72 WeakPolarHBondContact O-CG1 3.29Å; Q70-I72 PolarHBondContact O-N 3.07Å; I72-Y74 HydrophobicContact CB-CE2 4.07Å; I72-Y74 HydrophobicContact CG2-CD1 4.06Å; I72-Y74 HydrophobicContact CG2-CD2 4.23Å; I72-Y74 HydrophobicContact CG2-CE1 3.55Å; I72-Y74 HydrophobicContact CG2-CE2 3.73Å; I72-Y74 HydrophobicContact CG2-CG 4.38Å
73L97.4Very high95.7Very high0 Ų051.4 Ų51.40%028%0.279CS..EExtended strand (participates in β ladder)trans-97.7137.7167.5-17270.2000110S13 C14 F21 M26 W28 I43 I64 R66 C90S13-L73 CarbonylContact C-O 3.58Å; S13-L73 WeakPolarHBondContact CA-O 3.32Å; C14-L73 HydrophobicContact CB-CB 4.43Å; C14-L73 PolarHBondContact N-O 2.77Å; C14-L73 PolarHBondContact O-N 2.83Å; F21-L73 HydrophobicContact CE2-CB 4.4Å; F21-L73 HydrophobicContact CZ-CB 4.35Å; M26-L73 HydrophobicContact CB-CD1 3.56Å; M26-L73 HydrophobicContact CB-CD2 3.79Å; M26-L73 HydrophobicContact CB-CG 4.21Å; M26-L73 HydrophobicContact CG-CD1 4.36Å; W28-L73 HydrophobicContact CD2-CD2 4.31Å; W28-L73 HydrophobicContact CG-CD2 4.29Å; W28-L73 HydrophobicContact CZ2-CD2 4.24Å; W28-L73 HydrophobicContact CZ2-CG 4.32Å; I43-L73 HydrophobicContact CG2-CD1 3.58Å; I64-L73 HydrophobicContact CG2-CD1 3.86Å; R66-L73 HydrophobicContact CB-CD1 4.22Å; L73-C90 HydrophobicContact CD2-CB 3.93Å
74Y97.8Very high95.6Very high37 Ų3748.2 Ų48.215%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-119.1146.3178-60.6-78.2000111.6R11 L12 W28 I64 S65 D67 I72R11-Y74 HydrophobicContact CG-CD1 4.37Å; R11-Y74 VanDerWaalsContact NE-CD1 3.32Å; L12-Y74 CarbonylContact O-C 3.6Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.35Å; W28-Y74 PolarHBondContact NE1-O 2.9Å; I64-Y74 WeakPolarHBondContact CA-O 3.31Å; S65-Y74 PolarHBondContact N-O 2.96Å; S65-Y74 VanDerWaalsContact N-O 3.08Å; S65-Y74 PolarHBondContact O-N 3.36Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å; I72-Y74 HydrophobicContact CB-CE2 4.07Å; I72-Y74 HydrophobicContact CG2-CD1 4.06Å; I72-Y74 HydrophobicContact CG2-CD2 4.23Å; I72-Y74 HydrophobicContact CG2-CE1 3.55Å; I72-Y74 HydrophobicContact CG2-CE2 3.73Å; I72-Y74 HydrophobicContact CG2-CG 4.38Å
75L97.9Very high95.5Very high2 Ų249.1 Ų49.11%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-125.1104.5166.9-172.266.4000108.3R11 L12 W28 L40 F62 I64 M77 Y88R11-L75 WeakPolarHBondContact CA-O 3.48Å; L12-L75 HydrophobicContact CB-CB 4.31Å; L12-L75 PolarHBondContact N-O 2.78Å; L12-L75 PolarHBondContact O-N 2.78Å; W28-L75 HydrophobicContact CB-CD2 4.37Å; W28-L75 HydrophobicContact CD2-CB 3.94Å; W28-L75 HydrophobicContact CD2-CD2 4.04Å; W28-L75 HydrophobicContact CD2-CG 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.3Å; W28-L75 HydrophobicContact CG-CB 4.21Å; W28-L75 HydrophobicContact CG-CD1 4.18Å; W28-L75 HydrophobicContact CG-CD2 4.07Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CZ2-CB 3.91Å; L40-L75 HydrophobicContact CD1-CD2 4.29Å; F62-L75 HydrophobicContact CB-CD1 4.08Å; F62-L75 HydrophobicContact CD2-CD1 4.28Å; F62-L75 HydrophobicContact CD2-CD2 4.16Å; F62-L75 HydrophobicContact CD2-CG 4.39Å; I64-L75 HydrophobicContact CD1-CD1 4.46Å; I64-L75 HydrophobicContact CG1-CD1 3.59Å; L75-M77 HydrophobicContact CB-CG 4.49Å; L75-M77 HydrophobicContact CD2-CG 3.84Å; L75-M77 HydrophobicContact CD2-SD 3.72Å; L75-M77 HydrophobicContact CG-CG 3.68Å; L75-M77 HydrophobicContact CG-SD 4.15Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.03Å
76Q97.7Very high95.4Very high54 Ų5447.4 Ų47.425%0.25225%0.254SS..EExtended strand (participates in β ladder)trans-78.8123.6167.5-178.862.935.500107.9F62 T63 N78F62-Q76 CarbonylContact C-O 3.53Å; F62-Q76 WeakPolarHBondContact CA-O 3.25Å; T63-Q76 PolarHBondContact N-O 2.86Å; T63-Q76 PolarHBondContact O-N 2.89Å; Q76-N78 PolarHBondContact NE2-OD1 2.85Å
77M96.3Very high95.5Very high0 Ų047.2 Ų47.20%026%0.257CS..EExtended strand (participates in β ladder)trans-118.8110.4-176.4-60.1168.855.800107.7S9 L10 L12 F62 L75 L80 Y88 L105S9-M77 CarbonylContact C-O 3.42Å; S9-M77 WeakPolarHBondContact CA-O 3.42Å; S9-M77 WeakPolarHBondContact CB-O 3.39Å; L10-M77 PolarHBondContact N-O 2.88Å; L10-M77 PolarHBondContact O-N 3.04Å; L12-M77 HydrophobicContact CD1-SD 3.64Å; L12-M77 HydrophobicContact CG-SD 3.81Å; F62-M77 HydrophobicContact CD1-CB 3.86Å; F62-M77 HydrophobicContact CD1-CG 4.07Å; F62-M77 HydrophobicContact CD2-CG 3.98Å; F62-M77 HydrophobicContact CE1-CB 3.8Å; F62-M77 HydrophobicContact CE1-CE 4.35Å; F62-M77 HydrophobicContact CE1-CG 4.13Å; F62-M77 HydrophobicContact CE2-CE 3.85Å; F62-M77 HydrophobicContact CE2-CG 4.02Å; F62-M77 HydrophobicContact CE2-SD 4.45Å; F62-M77 HydrophobicContact CG-CB 4.33Å; F62-M77 HydrophobicContact CG-CG 4.04Å; F62-M77 HydrophobicContact CZ-CB 4.18Å; F62-M77 HydrophobicContact CZ-CE 3.67Å; F62-M77 HydrophobicContact CZ-CG 4.11Å; L75-M77 HydrophobicContact CB-CG 4.49Å; L75-M77 HydrophobicContact CD2-CG 3.84Å; L75-M77 HydrophobicContact CD2-SD 3.72Å; L75-M77 HydrophobicContact CG-CG 3.68Å; L75-M77 HydrophobicContact CG-SD 4.15Å; M77-L80 HydrophobicContact CB-CD1 4.47Å; M77-L80 HydrophobicContact CB-CD2 4.08Å; M77-L80 HydrophobicContact CB-CG 4.33Å; M77-L80 HydrophobicContact CE-CD2 3.4Å; M77-L80 VanDerWaalsContact CE-CD2 3.4Å; M77-Y88 HydrophobicContact CE-CE1 3.73Å; M77-Y88 HydrophobicContact CE-CE2 4.1Å; M77-Y88 VanDerWaalsContact CE-CZ 3.46Å; M77-Y88 VanDerWaalsContact CE-OH 3.31Å; M77-Y88 WeakPolarHBondContact CE-OH 3.37Å; M77-Y88 HydrophobicContact SD-CD1 4.47Å; M77-Y88 HydrophobicContact SD-CE1 4.07Å; M77-L105 HydrophobicContact CE-CD2 3.25Å; M77-L105 HydrophobicContact SD-CD2 4.18Å
78N95Very high95.6Very high52 Ų5245.1 Ų45.128%0.27825%0.245SC..  trans-108.4153.7178.8-54.6-48.5000110.6S9 R61 Q76 L80S9-N78 WeakPolarHBondContact OG-CA 3.43Å; S9-N78 PolarHBondContact OG-OD1 3.48Å; R61-N78 WeakPolarHBondContact O-CB 3.15Å; R61-N78 PolarHBondContact O-N 2.84Å; Q76-N78 PolarHBondContact NE2-OD1 2.85Å; N78-L80 PolarHBondContact O-N 2.78Å
79T93.4Very high95.6Very high82 Ų8245.4 Ų45.450%0.50324%0.244SC..SBendtrans5455.8176.9-43.50000110.8G8 R61G8-T79 PolarHBondContact O-N 3.27Å; R61-T79 PolarHBondContact NH1-O 2.8Å
80L94.4Very high95.7Very high2 Ų240.7 Ų40.71%0.0121%0.211CC..  trans-64.2141.4-177.8-82.4166.7000111.9V4 P6 G7 G8 L10 F62 M77 N78 D84 L105 V107V4-L80 HydrophobicContact CB-CD1 4.23Å; V4-L80 HydrophobicContact CG1-CD1 3.9Å; V4-L80 HydrophobicContact CG2-CD1 4.48Å; P6-L80 WeakPolarHBondContact CA-O 3.2Å; G7-L80 PolarHBondContact N-O 2.81Å; G8-L80 WeakPolarHBondContact O-CB 3.44Å; G8-L80 PolarHBondContact O-N 3.08Å; L10-L80 HydrophobicContact CB-CD1 4.03Å; F62-L80 HydrophobicContact CE1-CD2 4.19Å; F62-L80 HydrophobicContact CZ-CD2 4.13Å; M77-L80 HydrophobicContact CB-CD1 4.47Å; M77-L80 HydrophobicContact CB-CD2 4.08Å; M77-L80 HydrophobicContact CB-CG 4.33Å; M77-L80 HydrophobicContact CE-CD2 3.4Å; M77-L80 VanDerWaalsContact CE-CD2 3.4Å; N78-L80 PolarHBondContact O-N 2.78Å; L80-D84 HydrophobicContact CD2-CB 3.68Å; L80-L105 HydrophobicContact CD1-CD2 4.32Å; L80-L105 HydrophobicContact CD2-CD2 4.18Å; L80-V107 HydrophobicContact CB-CG1 4.26Å; L80-V107 HydrophobicContact CB-CG2 4.18Å; L80-V107 HydrophobicContact CD1-CG2 4.44Å; L80-V107 HydrophobicContact CD2-CG2 4.25Å
81R94Very high95.7Very high125 Ų12535.6 Ų35.647%0.47219%0.187SC..  trans-116.8158.2178-59175.9-176.9176.2-0.9109.2E83 D84 V107R81-E83 PolarHBondContact O-N 3.19Å; R81-E83 VanDerWaalsContact O-N 3.16Å; R81-D84 PolarHBondContact N-OD2 2.93Å; R81-D84 WeakPolarHBondContact O-CB 3.15Å; R81-D84 PolarHBondContact O-N 2.96Å; R81-V107 WeakPolarHBondContact O-CB 3.37Å; R81-V107 WeakPolarHBondContact O-CG1 3.46Å
82A92.5Very high95.6Very high62 Ų6235.3 Ų35.351%0.51218%0.181SC..G310 helixtrans-54.3-35.7174.900000112.1D84 S85A82-D84 PolarHBondContact O-N 2.92Å; A82-S85 VanDerWaalsContact O-CB 3.28Å; A82-S85 WeakPolarHBondContact O-CB 3.5Å; A82-S85 PolarHBondContact O-N 3.17Å; A82-S85 PolarHBondContact O-OG 3.01Å
83E92.6Very high94.6Very high150 Ų15034.3 Ų34.370%0.70118%0.177SC*.G310 helixtrans-63.5-17.7175.8-62167.7-126.700114.3R81 S85R81-E83 PolarHBondContact O-N 3.19Å; R81-E83 VanDerWaalsContact O-N 3.16Å; E83-S85 PolarHBondContact O-N 2.97Å
84D95.3Very high93Very high2 Ų239.4 Ų39.41%0.01120%0.204CC..G310 helixtrans-81.91.6174.4-59.3-50.2000112.3R30 R61 F62 L80 R81 A82 A86 Y88R30-D84 IonicContact NH1-OD1 3.49Å; R30-D84 PolarHBondContact NH1-OD1 2.9Å; R61-D84 IonicContact CZ-OD1 3.37Å; R61-D84 IonicContact CZ-OD2 2.61Å; R61-D84 IonicContact NH1-OD1 3.46Å; R61-D84 IonicContact NH1-OD2 3.45Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 2.7Å; R61-D84 PolarHBondContact NH2-OD1 3.49Å; R61-D84 IonicContact NH2-OD2 3.6Å; R61-D84 PolarHBondContact NH2-OD2 3.01Å; F62-D84 HydrophobicContact CZ-CB 4.35Å; L80-D84 HydrophobicContact CD2-CB 3.68Å; R81-D84 PolarHBondContact N-OD2 2.93Å; R81-D84 WeakPolarHBondContact O-CB 3.15Å; R81-D84 PolarHBondContact O-N 2.96Å; A82-D84 PolarHBondContact O-N 2.92Å; D84-A86 PolarHBondContact O-N 3.16Å; D84-Y88 WeakPolarHBondContact O-CE2 3.35Å; D84-Y88 PolarHBondContact O-OH 2.86Å
85S95.9Very high91.7Very high27 Ų2747.2 Ų47.219%0.18924%0.235CC..  trans-67.3113.2172.2-57.60000110.6P33 A82 E83 L105 V107P33-S85 WeakPolarHBondContact CD-O 3.43Å; A82-S85 VanDerWaalsContact O-CB 3.28Å; A82-S85 WeakPolarHBondContact O-CB 3.5Å; A82-S85 PolarHBondContact O-N 3.17Å; A82-S85 PolarHBondContact O-OG 3.01Å; E83-S85 PolarHBondContact O-N 2.97Å; S85-L105 CarbonylContact C-O 3.59Å; S85-L105 WeakPolarHBondContact CA-O 3.47Å; S85-V107 PolarHBondContact OG-N 2.64Å; S85-V107 PolarHBondContact OG-O 3.01Å
86A97Very high90.8Very high3 Ų350.2 Ų50.23%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-165.5168.4-175.200000111.3R30 Q31 P32 D84 Y88 L105R30-A86 HydrophobicContact CB-CB 3.87Å; R30-A86 HydrophobicContact CG-CB 4.26Å; Q31-A86 WeakPolarHBondContact O-CA 3.24Å; Q31-A86 WeakPolarHBondContact O-CB 3.32Å; P32-A86 HydrophobicContact CG-CB 4.48Å; D84-A86 PolarHBondContact O-N 3.16Å; A86-Y88 HydrophobicContact CB-CD2 4.29Å; A86-Y88 HydrophobicContact CB-CE2 3.81Å; A86-Y88 WeakPolarHBondContact O-CD2 3.26Å; A86-L105 PolarHBondContact N-O 3.01Å; A86-L105 PolarHBondContact O-N 3.27Å
87T97.8Very high90.2Very high29 Ų2951.5 Ų51.518%0.17826%0.256CS..EExtended strand (participates in β ladder)trans-87.4124.3161.3-55.30000109.4R30 Q31 Y89 T103 T104R30-T87 CarbonylContact C-O 3.54Å; R30-T87 VanDerWaalsContact CA-O 3.23Å; R30-T87 WeakPolarHBondContact CA-O 3.31Å; Q31-T87 PolarHBondContact N-O 3.48Å; Q31-T87 PolarHBondContact O-N 3.04Å; T87-Y89 HydrophobicContact CG2-CD2 4.46Å; T87-Y89 HydrophobicContact CG2-CE1 3.92Å; T87-Y89 HydrophobicContact CG2-CE2 3.65Å; T87-Y89 VanDerWaalsContact CG2-OH 3.24Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.43Å; T87-Y89 WeakPolarHBondContact O-CD2 3.43Å; T87-Y89 VanDerWaalsContact O-CE2 3.3Å; T87-Y89 WeakPolarHBondContact O-CE2 3.07Å; T87-T103 CarbonylContact C-O 3.58Å; T87-T103 WeakPolarHBondContact CA-O 3.48Å; T87-T104 PolarHBondContact OG1-OG1 2.7Å; T87-T104 VanDerWaalsContact OG1-OG1 3.09Å
88Y97.4Very high89.8Confident2 Ų256.5 Ų56.51%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-102.3130.1-176.9-74.5-102.3000110.7L12 V29 R30 L40 F62 L75 M77 D84 A86 G102 T103 L105L12-Y88 HydrophobicContact CD1-CD1 3.93Å; L12-Y88 HydrophobicContact CD1-CD2 4.15Å; L12-Y88 HydrophobicContact CD1-CG 3.64Å; V29-Y88 CarbonylContact O-C 3.5Å; R30-Y88 HydrophobicContact CB-CD1 4.04Å; R30-Y88 HydrophobicContact CB-CE1 4.03Å; R30-Y88 HydrophobicContact CB-CG 4.32Å; L40-Y88 HydrophobicContact CD1-CD1 3.83Å; L40-Y88 HydrophobicContact CD1-CE1 3.48Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.48Å; F62-Y88 HydrophobicContact CE2-CE1 4.3Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.03Å; M77-Y88 HydrophobicContact CE-CE1 3.73Å; M77-Y88 HydrophobicContact CE-CE2 4.1Å; M77-Y88 VanDerWaalsContact CE-CZ 3.46Å; M77-Y88 VanDerWaalsContact CE-OH 3.31Å; M77-Y88 WeakPolarHBondContact CE-OH 3.37Å; M77-Y88 HydrophobicContact SD-CD1 4.47Å; M77-Y88 HydrophobicContact SD-CE1 4.07Å; D84-Y88 WeakPolarHBondContact O-CE2 3.35Å; D84-Y88 PolarHBondContact O-OH 2.86Å; A86-Y88 HydrophobicContact CB-CD2 4.29Å; A86-Y88 HydrophobicContact CB-CE2 3.81Å; A86-Y88 WeakPolarHBondContact O-CD2 3.26Å; Y88-G102 CarbonylContact O-C 3.6Å; Y88-G102 WeakPolarHBondContact O-CA 3.25Å; Y88-T103 PolarHBondContact N-O 2.84Å; Y88-T103 PolarHBondContact O-N 3.4Å; Y88-L105 HydrophobicContact CD2-CB 4.03Å; Y88-L105 HydrophobicContact CE2-CB 3.92Å; Y88-L105 HydrophobicContact CE2-CD2 4Å
89Y96.3Very high89.6Confident44 Ų4459.2 Ų59.217%0.17328%0.282CS..EExtended strand (participates in β ladder)trans-121.7136.7-178.9-53.2-92.6000109.6W28 V29 Q31 L37 T87 W99W28-Y89 WeakPolarHBondContact CA-O 3.37Å; W28-Y89 VanDerWaalsContact CE3-O 3.32Å; V29-Y89 PolarHBondContact N-O 2.95Å; V29-Y89 PolarHBondContact O-N 2.93Å; Q31-Y89 HydrophobicContact CB-CE2 3.9Å; L37-Y89 HydrophobicContact CD2-CD2 4.15Å; L37-Y89 HydrophobicContact CD2-CE2 4.12Å; T87-Y89 HydrophobicContact CG2-CD2 4.46Å; T87-Y89 HydrophobicContact CG2-CE1 3.92Å; T87-Y89 HydrophobicContact CG2-CE2 3.65Å; T87-Y89 VanDerWaalsContact CG2-OH 3.24Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.43Å; T87-Y89 WeakPolarHBondContact O-CD2 3.43Å; T87-Y89 VanDerWaalsContact O-CE2 3.3Å; T87-Y89 WeakPolarHBondContact O-CE2 3.07Å; Y89-W99 HydrophobicContact CG-CE3 4.17Å; Y89-W99 HydrophobicContact CG-CZ3 4.37Å
90C95.3Very high89.5Confident7 Ų756.4 Ų56.45%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-86.9147.116052.90000108.9C14 S27 W28 L73 G100C14-C90 HydrophobicContact CB-CB 3.43Å; C14-C90 VanDerWaalsContact CB-CB 3.43Å; C14-C90 WeakPolarHBondContact CB-SG 3.37Å; C14-C90 WeakPolarHBondContact SG-CB 3.3Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.77Å; S27-C90 CarbonylContact O-C 3.48Å; S27-C90 WeakPolarHBondContact O-CA 3.2Å; W28-C90 HydrophobicContact CH2-CB 4.41Å; W28-C90 HydrophobicContact CZ3-CB 4.39Å; L73-C90 HydrophobicContact CD2-CB 3.93Å; C90-G100 PolarHBondContact O-N 3.29Å
91A94.2Very high89.3Confident2 Ų265.4 Ų65.42%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-145156.5175.800000112S27 G93 F96 Y98 W99S27-A91 PolarHBondContact N-O 2.98Å; S27-A91 PolarHBondContact O-N 2.82Å; A91-G93 PolarHBondContact O-N 3.06Å; A91-F96 HydrophobicContact CB-CD1 3.55Å; A91-F96 HydrophobicContact CB-CE1 4.1Å; A91-Y98 CarbonylContact C-O 3.59Å; A91-Y98 WeakPolarHBondContact CA-O 3.39Å; A91-Y98 WeakPolarHBondContact CB-O 3.41Å; A91-W99 HydrophobicContact CB-CD2 4.05Å; A91-W99 HydrophobicContact CB-CE3 4.14Å; A91-W99 HydrophobicContact CB-CG 4.48Å; A91-W99 HydrophobicContact CB-CZ3 4.45Å
92R91.7Very high89.2Confident32 Ų3260.8 Ų60.812%0.12130%0.303CS..EExtended strand (participates in β ladder)trans-80.9110.6176.2-171.9175.985.2162.27.8110.9F19 Y24 F96 D97 Y98F19-R92 HydrophobicContact CE2-CG 4.3Å; F19-R92 HydrophobicContact CZ-CB 4.49Å; F19-R92 HydrophobicContact CZ-CG 4.49Å; Y24-R92 HydrophobicContact CD1-CG 3.92Å; Y24-R92 HydrophobicContact CG-CG 3.88Å; R92-F96 PolarHBondContact O-N 3.22Å; R92-F96 VanDerWaalsContact O-N 3.11Å; R92-D97 IonicContact CZ-OD1 2.77Å; R92-D97 IonicContact CZ-OD2 3.39Å; R92-D97 IonicContact NE-OD1 2.69Å; R92-D97 PolarHBondContact NE-OD1 3.41Å; R92-D97 IonicContact NE-OD2 3.32Å; R92-D97 VanDerWaalsContact NH2-CG 3.29Å; R92-D97 IonicContact NH2-OD1 3.24Å; R92-D97 PolarHBondContact NH2-OD1 3.38Å; R92-D97 IonicContact NH2-OD2 2.81Å; R92-D97 PolarHBondContact NH2-OD2 3.15Å; R92-Y98 HydrophobicContact CB-CD2 4.45Å; R92-Y98 VanDerWaalsContact CZ-CD2 3.42Å; R92-Y98 PolarHBondContact N-O 3.07Å; R92-Y98 VanDerWaalsContact NE-CD2 3.34Å
93G76.6Confident89.3Confident6 Ų660.6 Ų60.66%0.06230%0.296CS..THydrogen-bonded Turntrans45.3-157.3165.300000117.7Y25 A91 Y95 F96Y25-G93 WeakPolarHBondContact O-CA 3.34Å; Y25-G93 PolarHBondContact O-N 2.94Å; A91-G93 PolarHBondContact O-N 3.06Å; G93-Y95 PolarHBondContact O-N 3.5Å; G93-F96 PolarHBondContact O-N 3.09Å
94N64.8Low89.4Confident108 Ų10857 Ų5758%0.57828%0.284SS*.THydrogen-bonded Turntrans-68.2-19.2-175.3-60.5-10000113.7F96N94-F96 WeakPolarHBondContact O-CD2 3.27Å
95Y69Low89.3Confident200 Ų20056.9 Ų56.978%0.78428%0.284SS*.THydrogen-bonded Turntrans-91-17.3-175.7-61.2-71.7000112.9G93 D97G93-Y95 PolarHBondContact O-N 3.5Å; Y95-D97 PolarHBondContact O-N 3.28Å
96F80.5Confident89.2Confident66 Ų6658.7 Ų58.729%0.28929%0.293SS..THydrogen-bonded Turntrans46.138.9178.5-62.5-83000113V29 W39 A91 R92 G93 N94 W99V29-F96 HydrophobicContact CG2-CD1 4.27Å; V29-F96 HydrophobicContact CG2-CE1 3.63Å; W39-F96 AromaticContact CD1-CZ 3.84Å; A91-F96 HydrophobicContact CB-CD1 3.55Å; A91-F96 HydrophobicContact CB-CE1 4.1Å; R92-F96 PolarHBondContact O-N 3.22Å; R92-F96 VanDerWaalsContact O-N 3.11Å; G93-F96 PolarHBondContact O-N 3.09Å; N94-F96 WeakPolarHBondContact O-CD2 3.27Å; F96-W99 HydrophobicContact CB-CZ2 3.72Å; F96-W99 HydrophobicContact CD1-CH2 4.03Å; F96-W99 AromaticContact CD1-CZ2 3.71Å; F96-W99 HydrophobicContact CD1-CZ2 3.71Å; F96-W99 HydrophobicContact CG-CZ2 4Å; F96-W99 PolarHBondContact O-NE1 3.26Å
97D83.7Confident88.9Confident80 Ų8058.8 Ų58.843%0.42829%0.294SS..  trans-87.4-15.8-177.5491.7000112.7R92 Y95R92-D97 IonicContact CZ-OD1 2.77Å; R92-D97 IonicContact CZ-OD2 3.39Å; R92-D97 IonicContact NE-OD1 2.69Å; R92-D97 PolarHBondContact NE-OD1 3.41Å; R92-D97 IonicContact NE-OD2 3.32Å; R92-D97 VanDerWaalsContact NH2-CG 3.29Å; R92-D97 IonicContact NH2-OD1 3.24Å; R92-D97 PolarHBondContact NH2-OD1 3.38Å; R92-D97 IonicContact NH2-OD2 2.81Å; R92-D97 PolarHBondContact NH2-OD2 3.15Å; Y95-D97 PolarHBondContact O-N 3.28Å
98Y87.9Confident88.3Confident105 Ų10559.9 Ų59.941%0.41230%0.302SS..  trans-124.3130.6170.5-69.5-95.6000110.5F19 A91 R92F19-Y98 HydrophobicContact CD1-CD1 4.33Å; F19-Y98 HydrophobicContact CD1-CG 4.33Å; F19-Y98 HydrophobicContact CE1-CG 4.43Å; A91-Y98 CarbonylContact C-O 3.59Å; A91-Y98 WeakPolarHBondContact CA-O 3.39Å; A91-Y98 WeakPolarHBondContact CB-O 3.41Å; R92-Y98 HydrophobicContact CB-CD2 4.45Å; R92-Y98 VanDerWaalsContact CZ-CD2 3.42Å; R92-Y98 PolarHBondContact N-O 3.07Å; R92-Y98 VanDerWaalsContact NE-CD2 3.34Å
99W91.8Very high87Confident109 Ų10967 Ų6741%0.41335%0.352SS..BIsolated β-bridgetrans-124.7141.1178.4-68.376.7000110.6V29 L37 Y89 A91 F96V29-W99 HydrophobicContact CB-CH2 4.1Å; V29-W99 HydrophobicContact CB-CZ3 3.77Å; V29-W99 HydrophobicContact CG1-CH2 3.95Å; V29-W99 HydrophobicContact CG1-CZ3 3.88Å; V29-W99 HydrophobicContact CG2-CH2 3.88Å; V29-W99 HydrophobicContact CG2-CZ3 3.92Å; L37-W99 HydrophobicContact CD1-CH2 4.01Å; L37-W99 HydrophobicContact CD1-CZ3 4.38Å; L37-W99 HydrophobicContact CD2-CZ3 4.35Å; Y89-W99 HydrophobicContact CG-CE3 4.17Å; Y89-W99 HydrophobicContact CG-CZ3 4.37Å; A91-W99 HydrophobicContact CB-CD2 4.05Å; A91-W99 HydrophobicContact CB-CE3 4.14Å; A91-W99 HydrophobicContact CB-CG 4.48Å; A91-W99 HydrophobicContact CB-CZ3 4.45Å; F96-W99 HydrophobicContact CB-CZ2 3.72Å; F96-W99 HydrophobicContact CD1-CH2 4.03Å; F96-W99 AromaticContact CD1-CZ2 3.71Å; F96-W99 HydrophobicContact CD1-CZ2 3.71Å; F96-W99 HydrophobicContact CG-CZ2 4Å; F96-W99 PolarHBondContact O-NE1 3.26Å
100G90.8Very high86.5Confident23 Ų2368.1 Ų68.124%0.23736%0.361CS..  trans-70.8162.6164.800000111.5C90 G102C90-G100 PolarHBondContact O-N 3.29Å; G100-G102 PolarHBondContact O-N 2.99Å
101Q90.6Very high86.1Confident191 Ų19171.3 Ų71.389%0.89338%0.378SS*.  trans-61.7-17178.5-66.7-65.6-36.700113.9
102G92.6Very high85.6Confident28 Ų2875.2 Ų75.229%0.28940%0.398SS..  trans87.8155.4-177.200000112.8Y88 G100Y88-G102 CarbonylContact O-C 3.6Å; Y88-G102 WeakPolarHBondContact O-CA 3.25Å; G100-G102 PolarHBondContact O-N 2.99Å
103T94.4Very high85.3Confident58 Ų5877.7 Ų77.736%0.35641%0.414SS..EExtended strand (participates in β ladder)trans-137.5125.7171-115.10000109.9L12 T87 Y88L12-T103 HydrophobicContact CD1-CG2 4.41Å; L12-T103 HydrophobicContact CD2-CG2 3.87Å; T87-T103 CarbonylContact C-O 3.58Å; T87-T103 WeakPolarHBondContact CA-O 3.48Å; Y88-T103 PolarHBondContact N-O 2.84Å; Y88-T103 PolarHBondContact O-N 3.4Å
104T94.9Very high85.8Confident74 Ų7482.2 Ų82.245%0.45444%0.436SS..EExtended strand (participates in β ladder)trans-80.2127.8177-51.10000110.6G1 G2 T87G1-T104 CarbonylContact C-O 3.45Å; G1-T104 WeakPolarHBondContact CA-O 3.39Å; G2-T104 PolarHBondContact N-O 3.48Å; T87-T104 PolarHBondContact OG1-OG1 2.7Å; T87-T104 VanDerWaalsContact OG1-OG1 3.09Å
105L93.1Very high87.2Confident1 Ų180.5 Ų80.51%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-114.4130.9171.5175.163.8000108.4G2 V4 L10 M77 L80 S85 A86 Y88 V107G2-L105 WeakPolarHBondContact O-CD1 3.45Å; V4-L105 HydrophobicContact CG2-CD1 3.84Å; L10-L105 HydrophobicContact CD2-CD1 3.45Å; L10-L105 VanDerWaalsContact CD2-CD1 3.45Å; L10-L105 HydrophobicContact CD2-CD2 4.25Å; L10-L105 HydrophobicContact CD2-CG 4.43Å; M77-L105 HydrophobicContact CE-CD2 3.25Å; M77-L105 HydrophobicContact SD-CD2 4.18Å; L80-L105 HydrophobicContact CD1-CD2 4.32Å; L80-L105 HydrophobicContact CD2-CD2 4.18Å; S85-L105 CarbonylContact C-O 3.59Å; S85-L105 WeakPolarHBondContact CA-O 3.47Å; A86-L105 PolarHBondContact N-O 3.01Å; A86-L105 PolarHBondContact O-N 3.27Å; Y88-L105 HydrophobicContact CD2-CB 4.03Å; Y88-L105 HydrophobicContact CE2-CB 3.92Å; Y88-L105 HydrophobicContact CE2-CD2 4Å; L105-V107 HydrophobicContact CD2-CG2 4.31Å; L105-V107 HydrophobicContact CG-CG2 4.21Å
106T93Very high88.5Confident64 Ų6471.9 Ų71.939%0.39340%0.401SS..EExtended strand (participates in β ladder)trans-116.1126.9172.9-56.50000108.8G2 L3 V4G2-T106 PolarHBondContact O-N 3.37Å; L3-T106 WeakPolarHBondContact CA-O 3.39Å; L3-T106 HydrophobicContact CD1-CG2 4.1Å; V4-T106 PolarHBondContact N-O 2.84Å
107V89.8Confident89.1Confident5 Ų572.4 Ų72.43%0.0341%0.41CS..EExtended strand (participates in β ladder)trans-111.5102.7174.9-174.10000108.3V4 P6 L80 R81 S85 L105V4-V107 VanDerWaalsContact O-CA 3.24Å; V4-V107 WeakPolarHBondContact O-CA 3.42Å; P6-V107 HydrophobicContact CB-CG1 4.48Å; P6-V107 HydrophobicContact CG-CG1 4.14Å; L80-V107 HydrophobicContact CB-CG1 4.26Å; L80-V107 HydrophobicContact CB-CG2 4.18Å; L80-V107 HydrophobicContact CD1-CG2 4.44Å; L80-V107 HydrophobicContact CD2-CG2 4.25Å; R81-V107 WeakPolarHBondContact O-CB 3.37Å; R81-V107 WeakPolarHBondContact O-CG1 3.46Å; S85-V107 PolarHBondContact OG-N 2.64Å; S85-V107 PolarHBondContact OG-O 3.01Å; L105-V107 HydrophobicContact CD2-CG2 4.31Å; L105-V107 HydrophobicContact CG-CG2 4.21Å
108S85.1Confident89.6Confident52 Ų5271.8 Ų71.836%0.36441%0.408SS..  trans-140153.8179.768.10000111.1L3 V4L3-S108 WeakPolarHBondContact CD1-OG 3.4Å; V4-S108 PolarHBondContact O-N 3.24Å
109S70.6Confident89.7Confident151 Ų15168.7 Ų68.7100%1.05641%0.408SS*.  trans-77.80171.3-174.40000111.7

Retrieved 109 of 109 residues in 29 ms (Link to these results)

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