X5J5L2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 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
1A80.4Confident94.5Very high115 Ų11581.4 Ų81.495%0.9547%0.472SS*.  0143.4000000107.9T108A1-T108 CarbonylContact C-O 3.54Å; A1-T108 WeakPolarHBondContact CA-O 3.32Å
2E88.8Confident94.8Very high77 Ų7775.3 Ų75.336%0.3644%0.436SS..EExtended strand (participates in β ladder)trans-128.8126.7-175.2-159.9169.2160.400110V4 V10 T108 V109 T110E2-V4 HydrophobicContact CG-CG1 3.9Å; E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; E2-T108 PolarHBondContact N-O 3.23Å; E2-V109 CarbonylContact O-C 3.48Å; E2-V109 WeakPolarHBondContact O-CA 3.47Å; E2-T110 PolarHBondContact O-N 3.27Å
3L95.3Very high95Very high130 Ų13075.6 Ų75.668%0.68145%0.445SS*.EExtended strand (participates in β ladder)trans-103.3121.8175.6-178.566.4000108.2T110 S112L3-T110 WeakPolarHBondContact CA-O 3.39Å; L3-T110 HydrophobicContact CD1-CG2 3.78Å; L3-S112 WeakPolarHBondContact CD1-OG 3.46Å
4V96Very high95.2Very high15 Ų1571.3 Ų71.39%0.09142%0.421CS..EExtended strand (participates in β ladder)trans-133.4154.3-174.9-60.40000110.9E2 A8 L78 V109 T110 V111 S112E2-V4 HydrophobicContact CG-CG1 3.9Å; V4-A8 HydrophobicContact CB-CB 4.32Å; V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.51Å; V4-V109 HydrophobicContact CG2-CG1 4.1Å; V4-T110 PolarHBondContact N-O 3.32Å; V4-V111 HydrophobicContact CG2-CB 4.39Å; V4-V111 HydrophobicContact CG2-CG1 4.44Å; V4-V111 HydrophobicContact CG2-CG2 3.82Å; V4-V111 WeakPolarHBondContact O-CA 3.43Å; V4-S112 PolarHBondContact O-N 2.7Å; V4-S112 VanDerWaalsContact O-N 3.16Å
5R96.1Very high95.3Very high202 Ų20277.3 Ų77.376%0.76244%0.439SS*.  trans-81.9152.9177.1-63.3-179.3-176.81790.5110.5G7 A8R5-G7 PolarHBondContact O-N 3.26Å; R5-A8 WeakPolarHBondContact O-CB 3.39Å; R5-A8 PolarHBondContact O-N 2.99Å; R5-A8 VanDerWaalsContact O-N 3.11Å
6P97.1Very high95.3Very high81 Ų8173.1 Ų73.153%0.52642%0.417SS..THydrogen-bonded Turntrans-52.5140.4168.9-25.534.1000112A8 L78 V111P6-A8 PolarHBondContact O-N 2.93Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; P6-V111 HydrophobicContact CB-CG1 4.41Å; P6-V111 HydrophobicContact CG-CG1 4.15Å
7G96.2Very high95.1Very high53 Ų5374.7 Ų74.755%0.54643%0.434SS..THydrogen-bonded Turntrans81-12.1-17600000114.9R5 L78R5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 3.33Å
8A96.9Very high94.9Very high34 Ų3475.5 Ų75.528%0.28146%0.461SS..  trans-68.8167.9176.400000112.1V4 R5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.32Å; R5-A8 WeakPolarHBondContact O-CB 3.39Å; R5-A8 PolarHBondContact O-N 2.99Å; R5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 2.93Å; A8-S77 PolarHBondContact O-N 2.02Å; A8-L78 WeakPolarHBondContact O-CB 3.41Å; A8-L78 WeakPolarHBondContact O-CG 3.5Å; A8-L78 PolarHBondContact O-N 2.78Å
9S97.2Very high94.6Very high64 Ų6474.1 Ų74.145%0.44845%0.447SS..  trans-116.1146.5170.6-58.10000110.1L75 S76S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; S9-S76 WeakPolarHBondContact OG-CA 2.95Å
10V97.3Very high94.6Very high3 Ų374.4 Ų74.42%0.01845%0.449CS..EExtended strand (participates in β ladder)trans-123.5145.2174.864.80000110.1E2 L12 Q74 L75 L78 V109E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; V10-L12 HydrophobicContact CG2-CD2 3.86Å; V10-L12 HydrophobicContact CG2-CG 4.37Å; V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.93Å; V10-L75 HydrophobicContact CG1-CD1 4.13Å; V10-L75 HydrophobicContact CG1-CG 4.46Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 3.07Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-V109 HydrophobicContact CG1-CG1 4.49Å
11K97.9Very high94.7Very high121 Ų12171.1 Ų71.153%0.52643%0.429SS..EExtended strand (participates in β ladder)trans-116.5107.5172.9-174177.7179.8179.60110Y72K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å
12L98.1Very high95.4Very high9 Ų967.6 Ų67.65%0.04740%0.395CS..EExtended strand (participates in β ladder)trans-88.1145.2175.6-56.5179.8000110.1V10 W28 Y72 M73 Y86 T107 V109V10-L12 HydrophobicContact CG2-CD2 3.86Å; V10-L12 HydrophobicContact CG2-CG 4.37Å; L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ3 3.7Å; L12-W28 HydrophobicContact CD1-CZ3 4.31Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-M73 HydrophobicContact CD1-CE 3.78Å; L12-M73 PolarHBondContact N-O 2.66Å; L12-M73 PolarHBondContact O-N 2.9Å; L12-Y86 VanDerWaalsContact CD1-CB 3.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.12Å; L12-Y86 HydrophobicContact CD1-CD2 4.2Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; L12-T107 HydrophobicContact CD2-CG2 4.23Å; L12-V109 HydrophobicContact CD1-CG2 4.38Å; L12-V109 HydrophobicContact CD2-CG2 3.94Å
13S97.8Very high95.7Very high79 Ų7968 Ų6855%0.55240%0.4SS*.EExtended strand (participates in β ladder)trans-120.4148.9177.365.20000111.4A71 Y72S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14C97.5Very high95.6Very high15 Ų1565.3 Ų65.310%0.10138%0.382CS..EExtended strand (participates in β ladder)trans-137.2104.5176.4179.70000108.6W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 3.79Å; C14-T70 CarbonylContact O-C 3.38Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; C14-A71 HydrophobicContact CB-CB 4.49Å; C14-A71 PolarHBondContact N-O 3.16Å; C14-A71 PolarHBondContact O-N 2.83Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.26Å; C14-C88 WeakPolarHBondContact SG-CB 3.2Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.86Å
15K97Very high95.6Very high161 Ų16166.8 Ų66.870%0.739%0.386SS*.EExtended strand (participates in β ladder)trans-91.2120.4178.9-173.8173.9-177.5179.80109.8
16A94.7Very high95.7Very high10 Ų1057.1 Ų57.18%0.08335%0.349CS..  trans-79.8151175.500000111.6Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 4Å; A16-Y19 HydrophobicContact CB-CE2 4.02Å; A16-Y19 VanDerWaalsContact CB-CZ 3.5Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.37Å; A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.05Å; A16-F21 HydrophobicContact CB-CG 4.14Å; A16-S69 PolarHBondContact N-O 2.84Å
17S92.3Very high95.7Very high101 Ų10153.3 Ų53.371%0.70632%0.324SS*.  trans-150.6151.8172.5620000110Y19S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.45Å; S17-Y19 PolarHBondContact O-N 3.01Å
18G91.1Very high95.8Very high89 Ų8951 Ų5192%0.91830%0.299SS*.SBendtrans799.817600000116.1
19Y90.4Very high95.8Very high48 Ų4849.5 Ų49.519%0.18829%0.287CS..SBendtrans-157.6164.5173.761-88.3000111.8A16 S17 F21 Y24 R90A16-Y19 HydrophobicContact CB-CE1 4Å; A16-Y19 HydrophobicContact CB-CE2 4.02Å; A16-Y19 VanDerWaalsContact CB-CZ 3.5Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.37Å; S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.45Å; S17-Y19 PolarHBondContact O-N 3.01Å; Y19-F21 PolarHBondContact O-N 3.24Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CG 4.31Å; Y19-Y24 AromaticContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CG 4.43Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.42Å; Y19-R90 HydrophobicContact CE2-CG 4.28Å
20T94.8Very high95.8Very high81 Ų8146.8 Ų46.850%0.49727%0.267SS..  trans-69.299.7172.8-51.90000110T22 D23 Y24T20-T22 WeakPolarHBondContact CG2-OG1 3.35Å; T20-T22 PolarHBondContact O-N 3.1Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.32Å; T20-D23 HydrophobicContact CG2-CB 4.46Å; T20-D23 VanDerWaalsContact CG2-OD2 3.24Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 3.12Å; T20-D23 VanDerWaalsContact O-N 3.1Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å
21F95.4Very high95.8Very high5 Ų550.2 Ų50.22%0.02228%0.283CS..G310 helixtrans-53.4-32.2-174.1174.1-114.9000114.5A16 Y19 D23 I26 P45 A64 S69 A71A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.05Å; A16-F21 HydrophobicContact CB-CG 4.14Å; Y19-F21 PolarHBondContact O-N 3.24Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.92Å; F21-I26 HydrophobicContact CD2-CD1 4.11Å; F21-I26 HydrophobicContact CD2-CG1 4.31Å; F21-I26 HydrophobicContact CE2-CD1 3.83Å; F21-I26 HydrophobicContact CE2-CG1 3.61Å; F21-I26 HydrophobicContact CZ-CG1 4.32Å; F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.1Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.4Å; F21-P45 VanDerWaalsContact CE1-CB 3.4Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.49Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.49Å; F21-P45 VanDerWaalsContact CZ-CG 3.49Å; F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.19Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.25Å; F21-A71 HydrophobicContact CZ-CB 3.96Å
22T96.2Very high95.8Very high41 Ų4146.8 Ų46.825%0.25227%0.266SS..G310 helixtrans-75.5-11.1-176.9500000115T20 Y44 G46 K66T20-T22 WeakPolarHBondContact CG2-OG1 3.35Å; T20-T22 PolarHBondContact O-N 3.1Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T22-Y44 VanDerWaalsContact O-CZ 3.28Å; T22-Y44 PolarHBondContact O-OH 2.57Å; T22-G46 WeakPolarHBondContact O-CA 3.37Å; T22-G46 PolarHBondContact O-N 2.78Å; T22-K66 HydrophobicContact CG2-CD 4.33Å; T22-K66 HydrophobicContact CG2-CG 4.1Å
23D94.4Very high95.5Very high86 Ų8652.1 Ų52.146%0.4630%0.302SS..G310 helixtrans-97.8-1.2-172-60.2-6.3000112.7T20 F21T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.32Å; T20-D23 HydrophobicContact CG2-CB 4.46Å; T20-D23 VanDerWaalsContact CG2-OD2 3.24Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 3.12Å; T20-D23 VanDerWaalsContact O-N 3.1Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.92Å
24Y94.1Very high95.3Very high74 Ų7452.8 Ų52.829%0.2932%0.321SS..SBendtrans-132.1151-172.6-63.3-82.5000112.5Y19 T20 P45 R90 T92Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CG 4.31Å; Y19-Y24 AromaticContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CG 4.43Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.42Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.36Å; Y24-R90 HydrophobicContact CD1-CG 4.1Å; Y24-R90 HydrophobicContact CG-CG 3.97Å; Y24-T92 HydrophobicContact CD1-CG2 3.78Å; Y24-T92 HydrophobicContact CE1-CG2 3.77Å
25Y95.4Very high95.2Very high45 Ų4556.5 Ų56.518%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-72.9141.1168.3-74.2-86.1000110.3R42 I43 Y44 R90 G91 Y93Y25-R42 HydrophobicContact CD1-CB 4.39Å; Y25-R42 HydrophobicContact CD1-CG 3.95Å; Y25-R42 HydrophobicContact CE1-CG 4.43Å; Y25-I43 WeakPolarHBondContact CA-O 3.46Å; Y25-Y44 HydrophobicContact CD1-CD2 4.24Å; Y25-Y44 HydrophobicContact CD2-CD2 4.03Å; Y25-Y44 HydrophobicContact CE1-CD2 4.2Å; Y25-Y44 HydrophobicContact CE1-CG 4.24Å; Y25-Y44 AromaticContact CE2-CD2 3.94Å; Y25-Y44 HydrophobicContact CE2-CD2 3.94Å; Y25-Y44 HydrophobicContact CG-CD2 4.17Å; Y25-R90 CarbonylContact O-C 3.5Å; Y25-R90 WeakPolarHBondContact O-CA 3.35Å; Y25-G91 PolarHBondContact N-O 2.79Å; Y25-G91 PolarHBondContact O-N 3.38Å; Y25-Y93 HydrophobicContact CD2-CD2 4.13Å; Y25-Y93 AromaticContact CD2-CE2 3.94Å; Y25-Y93 HydrophobicContact CD2-CE2 3.94Å; Y25-Y93 AromaticContact CE2-CD2 3.87Å; Y25-Y93 HydrophobicContact CE2-CD2 3.87Å; Y25-Y93 AromaticContact CE2-CE2 3.55Å; Y25-Y93 HydrophobicContact CE2-CE2 3.55Å
26I97.3Very high95.1Very high0 Ų051.4 Ų51.40%033%0.33CS..EExtended strand (participates in β ladder)trans-107.1118.1166-50.6-60.6000107.8F21 R42 I43 P45 A71 C88F21-I26 HydrophobicContact CD2-CD1 4.11Å; F21-I26 HydrophobicContact CD2-CG1 4.31Å; F21-I26 HydrophobicContact CE2-CD1 3.83Å; F21-I26 HydrophobicContact CE2-CG1 3.61Å; F21-I26 HydrophobicContact CZ-CG1 4.32Å; I26-R42 CarbonylContact O-C 3.58Å; I26-R42 WeakPolarHBondContact O-CA 3.18Å; I26-I43 HydrophobicContact CB-CG2 4.11Å; I26-I43 PolarHBondContact N-O 2.87Å; I26-I43 PolarHBondContact O-N 3.49Å; I26-P45 HydrophobicContact CG1-CG 3.96Å; I26-A71 HydrophobicContact CB-CB 4.05Å; I26-A71 HydrophobicContact CG1-CB 4.14Å; I26-A71 HydrophobicContact CG2-CB 3.8Å; I26-C88 HydrophobicContact CG2-CB 4.26Å
27N97.4Very high95.1Very high0 Ų055.6 Ų55.60%035%0.35CS..EExtended strand (participates in β ladder)trans-101.4145.2-177.8-62.5-93.2000109.1W39 R42 C88 A89 G91 F100N27-W39 PolarHBondContact OD1-NE1 2.79Å; N27-W39 VanDerWaalsContact OD1-NE1 3.13Å; N27-R42 HydrophobicContact CB-CB 4.49Å; N27-R42 VanDerWaalsContact OD1-CB 3.31Å; N27-R42 WeakPolarHBondContact OD1-CB 3.12Å; N27-C88 CarbonylContact O-C 3.6Å; N27-C88 WeakPolarHBondContact O-CA 3.49Å; N27-A89 PolarHBondContact N-O 3.33Å; N27-A89 PolarHBondContact ND2-O 2.97Å; N27-A89 PolarHBondContact O-N 2.87Å; N27-G91 WeakPolarHBondContact ND2-CA 3.47Å; N27-G91 PolarHBondContact ND2-N 3Å; N27-F100 HydrophobicContact CB-CD1 4.46Å; N27-F100 HydrophobicContact CB-CE1 3.74Å; N27-F100 HydrophobicContact CB-CZ 3.8Å; N27-F100 VanDerWaalsContact ND2-CE1 3.28Å; N27-F100 WeakPolarHBondContact ND2-CE1 3.35Å; N27-F100 WeakPolarHBondContact OD1-CE1 3.34Å
28W98.1Very high95.3Very high5 Ų552.4 Ų52.42%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-115.9133.4174.2-68.586.6000109.5L12 C14 I40 A41 L62 A71 M73 F87 C88L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ3 3.7Å; L12-W28 HydrophobicContact CD1-CZ3 4.31Å; C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 3.79Å; W28-I40 HydrophobicContact CB-CB 4.31Å; W28-I40 HydrophobicContact CB-CD1 4.47Å; W28-I40 WeakPolarHBondContact O-CB 3.32Å; W28-I40 PolarHBondContact O-N 3.1Å; W28-A41 PolarHBondContact N-O 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-L62 VanDerWaalsContact NE1-CD2 3.27Å; W28-A71 HydrophobicContact CZ2-CB 4.5Å; W28-M73 HydrophobicContact CB-CE 4.3Å; W28-M73 HydrophobicContact CB-SD 3.65Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.15Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.97Å; W28-M73 HydrophobicContact CE3-CE 3.74Å; W28-M73 HydrophobicContact CE3-SD 4.27Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-CE 4.42Å; W28-M73 HydrophobicContact CG-CG 4.46Å; W28-M73 HydrophobicContact CG-SD 3.81Å; W28-M73 HydrophobicContact CH2-CB 4.19Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.24Å; W28-M73 HydrophobicContact CZ3-CE 4.39Å; W28-F87 WeakPolarHBondContact CA-O 3.16Å; W28-C88 HydrophobicContact CD2-CB 4.34Å; W28-C88 HydrophobicContact CE3-CB 4.2Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å
29V97.9Very high95.6Very high3 Ų351 Ų512%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-137.4138.3-172.9-176.30000107.8L37 E38 Y86 F87 F100 W103V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.46Å; V29-E38 WeakPolarHBondContact CA-O 3.49Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; V29-Y86 WeakPolarHBondContact O-CA 3.18Å; V29-F87 PolarHBondContact N-O 3.47Å; V29-F87 PolarHBondContact O-N 2.68Å; V29-F100 HydrophobicContact CG2-CE2 4.35Å; V29-W103 HydrophobicContact CB-CH2 4.43Å; V29-W103 HydrophobicContact CB-CZ3 4.05Å; V29-W103 HydrophobicContact CG1-CH2 4.4Å; V29-W103 HydrophobicContact CG1-CZ3 4.29Å; V29-W103 HydrophobicContact CG2-CH2 4.03Å; V29-W103 HydrophobicContact CG2-CZ3 3.98Å
30K97.1Very high95.9Very high6 Ų648.7 Ų48.73%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-110.8151.4170.469.9-179.8-157.5-169.40111.4R32 E38 I40 F56 A84 V85 Y86K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; K30-E38 VanDerWaalsContact CE-CD 3.49Å; K30-E38 WeakPolarHBondContact CE-OE1 3.09Å; K30-E38 HydrophobicContact CG-CB 3.8Å; K30-E38 PolarHBondContact N-O 2.87Å; K30-E38 IonicContact NZ-OE1 3.99Å; K30-E38 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CG-CD1 4.39Å; K30-I40 HydrophobicContact CG-CG1 4.38Å; K30-F56 HydrophobicContact CD-CE1 3.73Å; K30-F56 HydrophobicContact CD-CZ 3.65Å; K30-F56 VanDerWaalsContact CE-CZ 3.46Å; K30-F56 HydrophobicContact CG-CZ 4.28Å; K30-A84 HydrophobicContact CB-CB 4.15Å; K30-V85 CarbonylContact C-O 3.54Å; K30-V85 WeakPolarHBondContact CA-O 3.31Å; K30-Y86 HydrophobicContact CB-CD1 3.8Å; K30-Y86 HydrophobicContact CB-CE1 3.65Å; K30-Y86 HydrophobicContact CB-CG 4.49Å; K30-Y86 HydrophobicContact CD-CE1 4.29Å
31Q97.8Very high96.1Very high76 Ų7644.8 Ų44.836%0.35526%0.259SS..EExtended strand (participates in β ladder)trans-131.8119.2171.9-166.118026.200109.9L37 A84 V85 F87Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.16Å; Q31-A84 WeakPolarHBondContact O-CA 3.33Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; Q31-V85 PolarHBondContact N-O 2.85Å; Q31-V85 PolarHBondContact O-N 2.83Å; Q31-F87 HydrophobicContact CB-CE2 3.84Å
32R96.1Very high96.1Very high49 Ų4946 Ų4619%0.18526%0.263CS..  trans-86.8152.6170.5-61.4-171.8-176.6126-14.7110.4K30 G34 Q35 E38 E81 A84K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; R32-G34 PolarHBondContact O-N 2.91Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.95Å; R32-E38 IonicContact CZ-OE1 3.74Å; R32-E38 IonicContact NH1-OE1 3.12Å; R32-E38 PolarHBondContact NH1-OE1 2.88Å; R32-E38 VanDerWaalsContact NH1-OE1 3.12Å; R32-E81 VanDerWaalsContact CZ-O 3.26Å; R32-E81 PolarHBondContact NE-O 3.38Å; R32-E81 PolarHBondContact NH2-O 2.79Å; R32-A84 HydrophobicContact CG-CB 4.21Å
33P92.7Very high96.2Very high121 Ų12144.2 Ų44.279%0.78625%0.252SS*.THydrogen-bonded Turntrans-52.4126.9172.8-25.434.7000111.3Q35P33-Q35 PolarHBondContact O-N 2.9Å
34G93.8Very high96.3Very high93 Ų9343.1 Ų43.196%0.95924%0.242SC*.THydrogen-bonded Turntrans72.44.4-179.600000115.8R32R32-G34 PolarHBondContact O-N 2.91Å
35Q94.6Very high96.5Very high93 Ų9339.7 Ų39.744%0.43523%0.229SC..SBendtrans-112.9160176.8-58.5-1702.200112R32 P33R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.95Å; P33-Q35 PolarHBondContact O-N 2.9Å
36G94.9Very high96.5Very high54 Ų5438.8 Ų38.856%0.55723%0.233SC*.  trans-68.6176.4172.700000113
37L95.9Very high96.5Very high97 Ų9742.9 Ų42.951%0.50826%0.262SS..EExtended strand (participates in β ladder)trans-71.5128.7173.7-66.5173.2000110.5V29 Q31 F87 W103V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.16Å; L37-F87 HydrophobicContact CD2-CD2 4.49Å; L37-F87 HydrophobicContact CD2-CE2 4.49Å; L37-W103 HydrophobicContact CD1-CH2 3.93Å
38E96.7Very high96.4Very high35 Ų3544.9 Ų44.916%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-109.9113.6174.4-67.7-174.6-10900109.8V29 K30 R32 I40V29-E38 CarbonylContact C-O 3.46Å; V29-E38 WeakPolarHBondContact CA-O 3.49Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; K30-E38 VanDerWaalsContact CE-CD 3.49Å; K30-E38 WeakPolarHBondContact CE-OE1 3.09Å; K30-E38 HydrophobicContact CG-CB 3.8Å; K30-E38 PolarHBondContact N-O 2.87Å; K30-E38 IonicContact NZ-OE1 3.99Å; K30-E38 PolarHBondContact O-N 2.82Å; R32-E38 IonicContact CZ-OE1 3.74Å; R32-E38 IonicContact NH1-OE1 3.12Å; R32-E38 PolarHBondContact NH1-OE1 2.88Å; R32-E38 VanDerWaalsContact NH1-OE1 3.12Å; E38-I40 PolarHBondContact O-N 3.11Å
39W96.6Very high96.3Very high58 Ų5848.5 Ų48.522%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-72.3126.6175.7-178.485.3000110.8N27 R42 Y51 N53 F100N27-W39 PolarHBondContact OD1-NE1 2.79Å; N27-W39 VanDerWaalsContact OD1-NE1 3.13Å; W39-R42 HydrophobicContact CZ2-CB 3.91Å; W39-R42 HydrophobicContact CZ2-CG 3.88Å; W39-Y51 AromaticContact CH2-CD1 3.37Å; W39-Y51 HydrophobicContact CH2-CD1 3.37Å; W39-Y51 AromaticContact CH2-CE1 3.86Å; W39-Y51 HydrophobicContact CH2-CE1 3.86Å; W39-Y51 HydrophobicContact CH2-CG 4.35Å; W39-Y51 WeakPolarHBondContact CH2-O 3.23Å; W39-Y51 HydrophobicContact CZ2-CD1 4.21Å; W39-Y51 HydrophobicContact CZ3-CD1 4.05Å; W39-Y51 HydrophobicContact CZ3-CE1 4.07Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.75Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.25Å; W39-N53 PolarHBondContact O-ND2 2.65Å; W39-F100 AromaticContact CD1-CZ 3.78Å
40I97.8Very high96.3Very high0 Ų050.7 Ų50.70%032%0.315CS..EExtended strand (participates in β ladder)trans-93.3-61.6-175.3-59.7174.5000110.2W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.31Å; W28-I40 HydrophobicContact CB-CD1 4.47Å; W28-I40 WeakPolarHBondContact O-CB 3.32Å; W28-I40 PolarHBondContact O-N 3.1Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CG-CD1 4.39Å; K30-I40 HydrophobicContact CG-CG1 4.38Å; E38-I40 PolarHBondContact O-N 3.11Å; I40-N53 VanDerWaalsContact O-CB 3.25Å; I40-N53 WeakPolarHBondContact O-CB 3.16Å; I40-N53 PolarHBondContact O-N 2.8Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.24Å; I40-F56 HydrophobicContact CG1-CD2 4.39Å; I40-F56 HydrophobicContact CG1-CE1 4.02Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.41Å; I40-F56 HydrophobicContact CG1-CZ 3.97Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 3.9Å; I40-F56 HydrophobicContact CG2-CD2 4.17Å; I40-F56 HydrophobicContact CG2-CG 3.68Å; I40-A60 HydrophobicContact CG2-CB 3.89Å; I40-M73 HydrophobicContact CB-SD 4.49Å; I40-M73 HydrophobicContact CD1-CE 3.87Å; I40-M73 HydrophobicContact CD1-SD 3.87Å; I40-M73 HydrophobicContact CG2-SD 3.87Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å
41A97.5Very high96.3Very high0 Ų056.8 Ų56.80%034%0.339CS..EExtended strand (participates in β ladder)trans-169.8171.9-171.500000110.6W28 Y51 Y52 L62W28-A41 PolarHBondContact N-O 3.46Å; A41-Y51 CarbonylContact C-O 3.58Å; A41-Y51 WeakPolarHBondContact CA-O 3.06Å; A41-Y51 VanDerWaalsContact CB-O 3.31Å; A41-Y51 WeakPolarHBondContact CB-O 3.2Å; A41-Y52 HydrophobicContact CB-CD1 3.4Å; A41-Y52 VanDerWaalsContact CB-CD1 3.4Å; A41-Y52 HydrophobicContact CB-CE1 3.86Å; A41-Y52 HydrophobicContact CB-CG 4.01Å; A41-L62 HydrophobicContact CB-CD1 3.41Å; A41-L62 VanDerWaalsContact CB-CD1 3.41Å; A41-L62 HydrophobicContact CB-CG 4.3Å
42R96.9Very high96.3Very high29 Ų2955.4 Ų55.411%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-142156.4172.870.2-173.2-176.7167.9-0.1112.3Y25 I26 N27 W39 T50 Y51 L62 Y93Y25-R42 HydrophobicContact CD1-CB 4.39Å; Y25-R42 HydrophobicContact CD1-CG 3.95Å; Y25-R42 HydrophobicContact CE1-CG 4.43Å; I26-R42 CarbonylContact O-C 3.58Å; I26-R42 WeakPolarHBondContact O-CA 3.18Å; N27-R42 HydrophobicContact CB-CB 4.49Å; N27-R42 VanDerWaalsContact OD1-CB 3.31Å; N27-R42 WeakPolarHBondContact OD1-CB 3.12Å; W39-R42 HydrophobicContact CZ2-CB 3.91Å; W39-R42 HydrophobicContact CZ2-CG 3.88Å; R42-T50 VanDerWaalsContact O-CA 3.27Å; R42-T50 WeakPolarHBondContact O-CA 3Å; R42-Y51 PolarHBondContact N-O 3.5Å; R42-Y51 PolarHBondContact O-N 3.35Å; R42-L62 VanDerWaalsContact C-CD1 3.46Å; R42-L62 VanDerWaalsContact O-CD1 3.31Å; R42-L62 WeakPolarHBondContact O-CD1 3.29Å; R42-Y93 VanDerWaalsContact NH1-CE2 3.27Å; R42-Y93 PolarHBondContact NH1-OH 2.8Å; R42-Y93 PolarHBondContact NH2-OH 2.79Å
43I97.7Very high96.3Very high4 Ų455.3 Ų55.32%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-128.7138.8172.2-174.4163.5000110Y25 I26 P45 N49 T50 L62 A64 A71Y25-I43 WeakPolarHBondContact CA-O 3.46Å; I26-I43 HydrophobicContact CB-CG2 4.11Å; I26-I43 PolarHBondContact N-O 2.87Å; I26-I43 PolarHBondContact O-N 3.49Å; I43-P45 WeakPolarHBondContact O-CD 3.41Å; I43-N49 CarbonylContact C-O 3.54Å; I43-N49 WeakPolarHBondContact CA-O 3.37Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.93Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-L62 HydrophobicContact CB-CB 4.17Å; I43-L62 HydrophobicContact CB-CD1 4.27Å; I43-L62 HydrophobicContact CD1-CB 4.2Å; I43-A64 HydrophobicContact CD1-CB 3.88Å; I43-A71 HydrophobicContact CG2-CB 4.3Å
44Y96.9Very high96.5Very high63 Ų6355.5 Ų55.525%0.24732%0.324CS..EExtended strand (participates in β ladder)trans-96104.6165.8-170.8-108.2000109T22 Y25 G46 S47 G48 N49T22-Y44 VanDerWaalsContact O-CZ 3.28Å; T22-Y44 PolarHBondContact O-OH 2.57Å; Y25-Y44 HydrophobicContact CD1-CD2 4.24Å; Y25-Y44 HydrophobicContact CD2-CD2 4.03Å; Y25-Y44 HydrophobicContact CE1-CD2 4.2Å; Y25-Y44 HydrophobicContact CE1-CG 4.24Å; Y25-Y44 AromaticContact CE2-CD2 3.94Å; Y25-Y44 HydrophobicContact CE2-CD2 3.94Å; Y25-Y44 HydrophobicContact CG-CD2 4.17Å; Y44-G46 PolarHBondContact O-N 2.94Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.28Å; Y44-S47 PolarHBondContact O-N 2.74Å; Y44-G48 WeakPolarHBondContact O-CA 3.31Å; Y44-G48 PolarHBondContact O-N 2.77Å; Y44-N49 PolarHBondContact N-O 2.87Å
45P97.1Very high96.5Very high3 Ų358.8 Ų58.82%0.01931%0.312CS..THydrogen-bonded Turntrans-62.1-28-172.6-23.735.8000113.8F21 Y24 I26 I43 S47 A64 K66F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.1Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.4Å; F21-P45 VanDerWaalsContact CE1-CB 3.4Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.49Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.49Å; F21-P45 VanDerWaalsContact CZ-CG 3.49Å; Y24-P45 WeakPolarHBondContact O-CD 3.36Å; I26-P45 HydrophobicContact CG1-CG 3.96Å; I43-P45 WeakPolarHBondContact O-CD 3.41Å; P45-S47 PolarHBondContact O-N 3.19Å; P45-A64 HydrophobicContact CB-CB 3.87Å; P45-A64 HydrophobicContact CG-CB 4.25Å; P45-K66 WeakPolarHBondContact O-CE 3.44Å
46G96.2Very high96.5Very high26 Ų2654.6 Ų54.627%0.26829%0.293SS..THydrogen-bonded Turntrans-58.4-46.7178.100000113.3T22 Y44 K66T22-G46 WeakPolarHBondContact O-CA 3.37Å; T22-G46 PolarHBondContact O-N 2.78Å; Y44-G46 PolarHBondContact O-N 2.94Å; G46-K66 PolarHBondContact O-NZ 2.91Å
47S96.2Very high96.5Very high86 Ų8658.1 Ų58.160%0.60129%0.293SS*.THydrogen-bonded Turntrans-109-12-17769.30000114.5Y44 P45 N49Y44-S47 WeakPolarHBondContact CD1-OG 3.28Å; Y44-S47 PolarHBondContact O-N 2.74Å; P45-S47 PolarHBondContact O-N 3.19Å; S47-N49 PolarHBondContact O-N 3.12Å; S47-N49 WeakPolarHBondContact OG-CB 3.43Å; S47-N49 PolarHBondContact OG-N 3.08Å
48G96.1Very high96.4Very high41 Ų4157 Ų5742%0.42331%0.305SS..THydrogen-bonded Turntrans74.26.5-171.300000114Y44 T50Y44-G48 WeakPolarHBondContact O-CA 3.31Å; Y44-G48 PolarHBondContact O-N 2.77Å; G48-T50 PolarHBondContact O-N 3.11Å
49N96.4Very high96.4Very high82 Ų8257.5 Ų57.544%0.43931%0.306SS..EExtended strand (participates in β ladder)trans-60.9130.8178.1179.7-95.9000110.7I43 Y44 S47I43-N49 CarbonylContact C-O 3.54Å; I43-N49 WeakPolarHBondContact CA-O 3.37Å; Y44-N49 PolarHBondContact N-O 2.87Å; S47-N49 PolarHBondContact O-N 3.12Å; S47-N49 WeakPolarHBondContact OG-CB 3.43Å; S47-N49 PolarHBondContact OG-N 3.08Å
50T97.7Very high96.4Very high49 Ų4955 Ų5530%0.30130%0.298SS..EExtended strand (participates in β ladder)trans-121.4147.8179.553.10000111R42 I43 G48 Y52 L62R42-T50 VanDerWaalsContact O-CA 3.27Å; R42-T50 WeakPolarHBondContact O-CA 3Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.93Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; G48-T50 PolarHBondContact O-N 3.11Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; T50-L62 HydrophobicContact CG2-CB 3.82Å; T50-L62 HydrophobicContact CG2-CD1 4.14Å
51Y96.6Very high96.5Very high134 Ų13458.4 Ų58.453%0.52532%0.319SS..EExtended strand (participates in β ladder)trans-139135.4172.6-175.5-108.3000108.9W39 A41 R42W39-Y51 AromaticContact CH2-CD1 3.37Å; W39-Y51 HydrophobicContact CH2-CD1 3.37Å; W39-Y51 AromaticContact CH2-CE1 3.86Å; W39-Y51 HydrophobicContact CH2-CE1 3.86Å; W39-Y51 HydrophobicContact CH2-CG 4.35Å; W39-Y51 WeakPolarHBondContact CH2-O 3.23Å; W39-Y51 HydrophobicContact CZ2-CD1 4.21Å; W39-Y51 HydrophobicContact CZ3-CD1 4.05Å; W39-Y51 HydrophobicContact CZ3-CE1 4.07Å; A41-Y51 CarbonylContact C-O 3.58Å; A41-Y51 WeakPolarHBondContact CA-O 3.06Å; A41-Y51 VanDerWaalsContact CB-O 3.31Å; A41-Y51 WeakPolarHBondContact CB-O 3.2Å; R42-Y51 PolarHBondContact N-O 3.5Å; R42-Y51 PolarHBondContact O-N 3.35Å
52Y97.6Very high96.5Very high46 Ų4659 Ų5918%0.1832%0.322CS..EExtended strand (participates in β ladder)trans-121.6146.3-172.7-61.5-95.2000110.3A41 T50 A60 L62A41-Y52 HydrophobicContact CB-CD1 3.4Å; A41-Y52 VanDerWaalsContact CB-CD1 3.4Å; A41-Y52 HydrophobicContact CB-CE1 3.86Å; A41-Y52 HydrophobicContact CB-CG 4.01Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; Y52-A60 HydrophobicContact CD1-CB 4.4Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; Y52-L62 HydrophobicContact CE1-CD1 3.9Å; Y52-L62 HydrophobicContact CE1-CG 4.1Å; Y52-L62 PolarHBondContact OH-N 3.22Å
53N96.6Very high96.6Very high48 Ų4860.8 Ų60.826%0.25734%0.336SS..  trans-69.9135.1159.6-179.7-25.8000108.3W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.75Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.25Å; W39-N53 PolarHBondContact O-ND2 2.65Å; I40-N53 VanDerWaalsContact O-CB 3.25Å; I40-N53 WeakPolarHBondContact O-CB 3.16Å; I40-N53 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact O-N 2.86Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.79Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 3.99Å; N53-F56 PolarHBondContact O-N 2.95Å; N53-K57 PolarHBondContact O-N 3.44Å
54E96.3Very high96.6Very high124 Ų12462.1 Ų62.158%0.57935%0.348SS*.G310 helixtrans-54.8-31.5-176.9-68.5-61.5142.300112.8F56 K57E54-F56 PolarHBondContact O-N 2.84Å; E54-K57 PolarHBondContact O-N 2.93Å; E54-K57 IonicContact OE1-NZ 2.9Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 WeakPolarHBondContact OE2-CD 3.38Å; E54-K57 IonicContact OE2-NZ 3.12Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å; E54-K57 VanDerWaalsContact OE2-NZ 3.12Å
55K94.1Very high96.6Very high162 Ų16263.5 Ų63.570%0.70436%0.356SS*.G310 helixtrans-61.8-23.9175.7-68.2-175.3179.9-179.20114.6N53N53-K55 PolarHBondContact O-N 2.86Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.79Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56F95.7Very high96.6Very high5 Ų568.9 Ų68.92%0.02238%0.38CS..G310 helixtrans-114.3-0.4-174.7-61.3-87.5000112.9K30 I40 N53 E54 G58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.73Å; K30-F56 HydrophobicContact CD-CZ 3.65Å; K30-F56 VanDerWaalsContact CE-CZ 3.46Å; K30-F56 HydrophobicContact CG-CZ 4.28Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.24Å; I40-F56 HydrophobicContact CG1-CD2 4.39Å; I40-F56 HydrophobicContact CG1-CE1 4.02Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.41Å; I40-F56 HydrophobicContact CG1-CZ 3.97Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 3.9Å; I40-F56 HydrophobicContact CG2-CD2 4.17Å; I40-F56 HydrophobicContact CG2-CG 3.68Å; N53-F56 HydrophobicContact CB-CD2 3.99Å; N53-F56 PolarHBondContact O-N 2.95Å; E54-F56 PolarHBondContact O-N 2.84Å; F56-G58 PolarHBondContact O-N 2.83Å; F56-K59 PolarHBondContact O-N 3.03Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.13Å
57K94.4Very high96.5Very high129 Ų12972.6 Ų72.656%0.56140%0.402SS*.THydrogen-bonded Turntrans-62.5127.1175.9-161.8173.7-172.5172.60109.1N53 E54 K59N53-K57 PolarHBondContact O-N 3.44Å; E54-K57 PolarHBondContact O-N 2.93Å; E54-K57 IonicContact OE1-NZ 2.9Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 WeakPolarHBondContact OE2-CD 3.38Å; E54-K57 IonicContact OE2-NZ 3.12Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å; E54-K57 VanDerWaalsContact OE2-NZ 3.12Å; K57-K59 PolarHBondContact O-N 2.95Å
58G93.8Very high96.6Very high74 Ų7470.4 Ų70.476%0.76339%0.386SS*.THydrogen-bonded Turntrans82-13.3-173.800000115.2F56F56-G58 PolarHBondContact O-N 2.83Å
59K95.9Very high96.6Very high45 Ų4570.3 Ų70.320%0.19638%0.379CS..THydrogen-bonded Turntrans-98-38.9174.4-166.9168.1-164.1169.30112.9F56 K57 L75 S76 D82F56-K59 PolarHBondContact O-N 3.03Å; K57-K59 PolarHBondContact O-N 2.95Å; K59-L75 WeakPolarHBondContact O-CA 3.31Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 3.25Å; K59-S76 PolarHBondContact O-OG 2.94Å; K59-D82 WeakPolarHBondContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD2 3.12Å; K59-D82 IonicContact NZ-OD1 2.74Å; K59-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å
60A97.9Very high96.7Very high4 Ų466.9 Ų66.93%0.03336%0.361CS..EExtended strand (participates in β ladder)trans-103.3137.7177.900000110.9I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.89Å; Y52-A60 HydrophobicContact CD1-CB 4.4Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.13Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.31Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.92Å
61T98.3Very high96.8Very high73 Ų7364.5 Ų64.545%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-125.7126.3170.5-60.80000109.3M73 Q74T61-M73 WeakPolarHBondContact O-CA 3.49Å; T61-Q74 PolarHBondContact N-O 3.41Å; T61-Q74 PolarHBondContact O-N 3.2Å
62L98.6Very high96.9Very high11 Ų1160.8 Ų60.86%0.05833%0.332CS..EExtended strand (participates in β ladder)trans-103.8139.1-178.7-67.9163.9000111.9W28 A41 R42 I43 T50 Y52 Y72 M73W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-L62 VanDerWaalsContact NE1-CD2 3.27Å; A41-L62 HydrophobicContact CB-CD1 3.41Å; A41-L62 VanDerWaalsContact CB-CD1 3.41Å; A41-L62 HydrophobicContact CB-CG 4.3Å; R42-L62 VanDerWaalsContact C-CD1 3.46Å; R42-L62 VanDerWaalsContact O-CD1 3.31Å; R42-L62 WeakPolarHBondContact O-CD1 3.29Å; I43-L62 HydrophobicContact CB-CB 4.17Å; I43-L62 HydrophobicContact CB-CD1 4.27Å; I43-L62 HydrophobicContact CD1-CB 4.2Å; T50-L62 HydrophobicContact CG2-CB 3.82Å; T50-L62 HydrophobicContact CG2-CD1 4.14Å; Y52-L62 HydrophobicContact CE1-CD1 3.9Å; Y52-L62 HydrophobicContact CE1-CG 4.1Å; Y52-L62 PolarHBondContact OH-N 3.22Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; L62-M73 HydrophobicContact CD2-CB 3.93Å; L62-M73 HydrophobicContact CD2-CG 4.15Å
63T98.3Very high96.9Very high67 Ų6758.6 Ų58.641%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-140.1160.9170.953.20000110.2Y72T63-Y72 PolarHBondContact N-O 3.12Å; T63-Y72 PolarHBondContact O-N 3.38Å
64A98.1Very high97Very high33 Ų3360.6 Ų60.627%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-140.8135.3175.600000110.8F21 I43 P45 T70F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.19Å; I43-A64 HydrophobicContact CD1-CB 3.88Å; P45-A64 HydrophobicContact CB-CB 3.87Å; P45-A64 HydrophobicContact CG-CB 4.25Å; A64-T70 WeakPolarHBondContact CA-O 3.44Å
65E97.6Very high97.1Very high91 Ų9154.8 Ų54.843%0.42530%0.304SS..EExtended strand (participates in β ladder)trans-106.9106.1176.8-178.458.3-120.900108.6S67 S68 S69 T70 Y72E65-S67 WeakPolarHBondContact CG-OG 3.38Å; E65-S67 PolarHBondContact O-N 2.96Å; E65-S67 PolarHBondContact OE1-OG 3.28Å; E65-S68 WeakPolarHBondContact CB-OG 3.49Å; E65-S68 WeakPolarHBondContact CG-OG 3.45Å; E65-S69 PolarHBondContact O-N 3.38Å; E65-S69 VanDerWaalsContact O-N 3.11Å; E65-T70 PolarHBondContact N-O 2.98Å; E65-T70 PolarHBondContact O-N 3.25Å; E65-T70 VanDerWaalsContact O-N 3.08Å; E65-Y72 HydrophobicContact CB-CE2 3.94Å
66K96.3Very high97.2Very high116 Ų11648.5 Ų48.550%0.50428%0.281SS..THydrogen-bonded Turntrans-65.1-41.5-173.6-64.8176.8176.1179.70111.7T22 P45 G46 S68 S69T22-K66 HydrophobicContact CG2-CD 4.33Å; T22-K66 HydrophobicContact CG2-CG 4.1Å; P45-K66 WeakPolarHBondContact O-CE 3.44Å; G46-K66 PolarHBondContact O-NZ 2.91Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3.03Å; K66-S69 PolarHBondContact O-N 3.2Å; K66-S69 VanDerWaalsContact O-N 3.14Å
67S95.1Very high97.2Very high105 Ų10552.2 Ų52.273%0.73431%0.307SS*.THydrogen-bonded Turntrans-59.3-39-177.362.70000112.9E65E65-S67 WeakPolarHBondContact CG-OG 3.38Å; E65-S67 PolarHBondContact O-N 2.96Å; E65-S67 PolarHBondContact OE1-OG 3.28Å
68S96.9Very high97.3Very high40 Ų4046.1 Ų46.128%0.2828%0.281SS..THydrogen-bonded Turntrans-981.9-179.964.90000113.6E65 K66 T70E65-S68 WeakPolarHBondContact CB-OG 3.49Å; E65-S68 WeakPolarHBondContact CG-OG 3.45Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 WeakPolarHBondContact OG-CB 3.31Å; S68-T70 PolarHBondContact OG-OG1 3.34Å
69S97.4Very high97.5Very high39 Ų3945.3 Ų45.327%0.27326%0.261SS..THydrogen-bonded Turntrans49.441.6-173.7-64.30000112.9A16 F21 E65 K66A16-S69 PolarHBondContact N-O 2.84Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; E65-S69 PolarHBondContact O-N 3.38Å; E65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 3.2Å; K66-S69 VanDerWaalsContact O-N 3.14Å
70T98.3Very high97.4Very high9 Ų947.3 Ų47.36%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-121.3124.9-173.2-56.50000111.1C14 A64 E65 S68 Y72C14-T70 CarbonylContact O-C 3.38Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; A64-T70 WeakPolarHBondContact CA-O 3.44Å; E65-T70 PolarHBondContact N-O 2.98Å; E65-T70 PolarHBondContact O-N 3.25Å; E65-T70 VanDerWaalsContact O-N 3.08Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 WeakPolarHBondContact OG-CB 3.31Å; S68-T70 PolarHBondContact OG-OG1 3.34Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.18Å
71A98.3Very high97.2Very high0 Ų053.4 Ų53.40%031%0.308CS..EExtended strand (participates in β ladder)trans-93.4149.8168.400000109.9S13 C14 F21 I26 W28 I43S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 HydrophobicContact CB-CB 4.49Å; C14-A71 PolarHBondContact N-O 3.16Å; C14-A71 PolarHBondContact O-N 2.83Å; F21-A71 HydrophobicContact CE2-CB 4.25Å; F21-A71 HydrophobicContact CZ-CB 3.96Å; I26-A71 HydrophobicContact CB-CB 4.05Å; I26-A71 HydrophobicContact CG1-CB 4.14Å; I26-A71 HydrophobicContact CG2-CB 3.8Å; W28-A71 HydrophobicContact CZ2-CB 4.5Å; I43-A71 HydrophobicContact CG2-CB 4.3Å
72Y98.5Very high97.1Very high56 Ų5650.1 Ų50.122%0.2229%0.288CS..EExtended strand (participates in β ladder)trans-130.3144.9177.3-55.9-88.4000110.9K11 L12 S13 L62 T63 E65 T70K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 3.12Å; T63-Y72 PolarHBondContact O-N 3.38Å; E65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.18Å
73M98.5Very high97.1Very high0 Ų051.2 Ų51.20%030%0.297CS..EExtended strand (participates in β ladder)trans-123119.3167.1-177.9179.266.300108.7L12 W28 I40 A60 T61 L62 L75 Y86L12-M73 HydrophobicContact CD1-CE 3.78Å; L12-M73 PolarHBondContact N-O 2.66Å; L12-M73 PolarHBondContact O-N 2.9Å; W28-M73 HydrophobicContact CB-CE 4.3Å; W28-M73 HydrophobicContact CB-SD 3.65Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.15Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.97Å; W28-M73 HydrophobicContact CE3-CE 3.74Å; W28-M73 HydrophobicContact CE3-SD 4.27Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-CE 4.42Å; W28-M73 HydrophobicContact CG-CG 4.46Å; W28-M73 HydrophobicContact CG-SD 3.81Å; W28-M73 HydrophobicContact CH2-CB 4.19Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.24Å; W28-M73 HydrophobicContact CZ3-CE 4.39Å; I40-M73 HydrophobicContact CB-SD 4.49Å; I40-M73 HydrophobicContact CD1-CE 3.87Å; I40-M73 HydrophobicContact CD1-SD 3.87Å; I40-M73 HydrophobicContact CG2-SD 3.87Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.31Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; L62-M73 HydrophobicContact CD2-CB 3.93Å; L62-M73 HydrophobicContact CD2-CG 4.15Å; M73-L75 HydrophobicContact CE-CD1 3.84Å; M73-L75 HydrophobicContact CE-CD2 4.11Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.42Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.42Å; M73-Y86 HydrophobicContact CE-CD1 3.73Å; M73-Y86 HydrophobicContact CE-CE1 4.23Å
74Q98.3Very high97.1Very high90 Ų9048.2 Ų48.242%0.42128%0.279SS..EExtended strand (participates in β ladder)trans-94.7124.6168.6-176.2172-0.700108.9V10 A60 T61V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; T61-Q74 PolarHBondContact N-O 3.41Å; T61-Q74 PolarHBondContact O-N 3.2Å
75L97.8Very high97.1Very high1 Ų148.6 Ų48.61%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-104.1129.2170.3-64.1166.2000108.4S9 V10 K59 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; V10-L75 HydrophobicContact CG1-CB 3.93Å; V10-L75 HydrophobicContact CG1-CD1 4.13Å; V10-L75 HydrophobicContact CG1-CG 4.46Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 3.07Å; K59-L75 WeakPolarHBondContact O-CA 3.31Å; A60-L75 HydrophobicContact CB-CD2 3.92Å; M73-L75 HydrophobicContact CE-CD1 3.84Å; M73-L75 HydrophobicContact CE-CD2 4.11Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.42Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.42Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.41Å
76S97.1Very high97.1Very high31 Ų3144.5 Ų44.522%0.21726%0.258CS..  trans-107.3159.9178.957.70000112.1S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 2.95Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 3.25Å; K59-S76 PolarHBondContact O-OG 2.94Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.77Å
77S96.3Very high97.2Very high82 Ų8240.5 Ų40.557%0.57324%0.241SC*.SBendtrans50.751.4172.1-560000112.8A8A8-S77 PolarHBondContact O-N 2.02Å
78L96.9Very high97.3Very high1 Ų136.2 Ų36.21%0.00521%0.211CC..  trans-64.3142-173.9-69.4174.1000112.4V4 P6 G7 A8 V10 L75 S76 D82 V109 V111V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.51Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; G7-L78 PolarHBondContact N-O 3.33Å; A8-L78 WeakPolarHBondContact O-CB 3.41Å; A8-L78 WeakPolarHBondContact O-CG 3.5Å; A8-L78 PolarHBondContact O-N 2.78Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.77Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-V109 HydrophobicContact CD1-CG1 4.49Å; L78-V111 HydrophobicContact CB-CG1 4.22Å; L78-V111 HydrophobicContact CB-CG2 4Å; L78-V111 HydrophobicContact CD1-CG2 4.31Å
79T96.5Very high97.3Very high58 Ų5834.4 Ų34.436%0.35620%0.199SC..  trans-121.2168.4173.967.60000109.8E81 D82 V111T79-E81 PolarHBondContact O-N 3.42Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.19Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact OG1-OD2 2.79Å; T79-V111 WeakPolarHBondContact O-CB 3.47Å; T79-V111 WeakPolarHBondContact O-CG2 2.93Å
80S95.4Very high97.2Very high86 Ų8634.8 Ų34.860%0.60119%0.194SC*.G310 helixtrans-53.3-32175.952.50000112.7D82 S83S80-D82 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.27Å; S80-S83 PolarHBondContact O-N 2.92Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 3.01Å
81E93.8Very high96.9Very high132 Ų13234.4 Ų34.462%0.61719%0.192SC*.G310 helixtrans-67.6-13.4177-60.7-172175.400114.6R32 T79 S83R32-E81 VanDerWaalsContact CZ-O 3.26Å; R32-E81 PolarHBondContact NE-O 3.38Å; R32-E81 PolarHBondContact NH2-O 2.79Å; T79-E81 PolarHBondContact O-N 3.42Å; T79-E81 VanDerWaalsContact O-N 3.1Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82D96.2Very high96.2Very high4 Ų436 Ų362%0.02120%0.202CC..G310 helixtrans-87.3-2.9174.1-58.3-51.2000112.6K59 L78 T79 S80 A84 Y86 V111K59-D82 WeakPolarHBondContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD2 3.12Å; K59-D82 IonicContact NZ-OD1 2.74Å; K59-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.19Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact OG1-OD2 2.79Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.84Å; D82-V111 HydrophobicContact CB-CG2 4.31Å
83S97.6Very high95.4Very high34 Ų3439 Ų3924%0.23821%0.213CC..  trans-64.4112.4173.3-58.80000110S80 E81 V109 V111S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.27Å; S80-S83 PolarHBondContact O-N 2.92Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 3.01Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.39Å; S83-V111 PolarHBondContact OG-N 3.49Å
84A97.9Very high94.3Very high5 Ų546.6 Ų46.64%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-165.5169.1-171.400000110.9K30 Q31 R32 D82 Y86 T108 V109K30-A84 HydrophobicContact CB-CB 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.33Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; R32-A84 HydrophobicContact CG-CB 4.21Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-T108 WeakPolarHBondContact O-CA 3.24Å; A84-V109 PolarHBondContact N-O 3.2Å; A84-V109 PolarHBondContact O-N 2.88Å
85V98.4Very high93.4Very high40 Ų4046.7 Ų46.724%0.24225%0.254CS..EExtended strand (participates in β ladder)trans-89.2127.5160.5-171.60000108.3K30 Q31 F87K30-V85 CarbonylContact C-O 3.54Å; K30-V85 WeakPolarHBondContact CA-O 3.31Å; Q31-V85 PolarHBondContact N-O 2.85Å; Q31-V85 PolarHBondContact O-N 2.83Å; V85-F87 HydrophobicContact CB-CE2 3.79Å; V85-F87 HydrophobicContact CB-CZ 3.9Å; V85-F87 HydrophobicContact CG1-CD1 4.49Å; V85-F87 HydrophobicContact CG1-CD2 4.29Å; V85-F87 HydrophobicContact CG1-CE1 3.82Å; V85-F87 HydrophobicContact CG1-CE2 3.58Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86Y98.4Very high92.4Very high5 Ų554.3 Ų54.32%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-105.6127.4178.6-70-93.1000110L12 V29 K30 I40 M73 L75 D82 A84 G106 T107 V109L12-Y86 VanDerWaalsContact CD1-CB 3.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.12Å; L12-Y86 HydrophobicContact CD1-CD2 4.2Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; V29-Y86 WeakPolarHBondContact O-CA 3.18Å; K30-Y86 HydrophobicContact CB-CD1 3.8Å; K30-Y86 HydrophobicContact CB-CE1 3.65Å; K30-Y86 HydrophobicContact CB-CG 4.49Å; K30-Y86 HydrophobicContact CD-CE1 4.29Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å; M73-Y86 HydrophobicContact CE-CD1 3.73Å; M73-Y86 HydrophobicContact CE-CE1 4.23Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.41Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; Y86-G106 CarbonylContact O-C 3.47Å; Y86-G106 VanDerWaalsContact O-CA 3.23Å; Y86-G106 WeakPolarHBondContact O-CA 3.44Å; Y86-T107 PolarHBondContact N-O 2.84Å; Y86-T107 PolarHBondContact O-N 3.48Å; Y86-V109 HydrophobicContact CD2-CB 3.96Å; Y86-V109 HydrophobicContact CD2-CG2 3.73Å; Y86-V109 HydrophobicContact CE2-CB 3.78Å; Y86-V109 HydrophobicContact CE2-CG2 3.99Å
87F98.3Very high91.4Very high32 Ų3257.5 Ų57.514%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-114.3147.8-180-57.1-87.6000110W28 V29 Q31 L37 V85 W103W28-F87 WeakPolarHBondContact CA-O 3.16Å; V29-F87 PolarHBondContact N-O 3.47Å; V29-F87 PolarHBondContact O-N 2.68Å; Q31-F87 HydrophobicContact CB-CE2 3.84Å; L37-F87 HydrophobicContact CD2-CD2 4.49Å; L37-F87 HydrophobicContact CD2-CE2 4.49Å; V85-F87 HydrophobicContact CB-CE2 3.79Å; V85-F87 HydrophobicContact CB-CZ 3.9Å; V85-F87 HydrophobicContact CG1-CD1 4.49Å; V85-F87 HydrophobicContact CG1-CD2 4.29Å; V85-F87 HydrophobicContact CG1-CE1 3.82Å; V85-F87 HydrophobicContact CG1-CE2 3.58Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W103 HydrophobicContact CB-CE3 3.88Å; F87-W103 HydrophobicContact CB-CZ3 4Å; F87-W103 HydrophobicContact CG-CE3 4.38Å
88C97.4Very high90.5Very high16 Ų1656.8 Ų56.811%0.10830%0.298CS..EExtended strand (participates in β ladder)trans-106.3148.7158.665.60000109.9C14 I26 N27 W28 G104C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.26Å; C14-C88 WeakPolarHBondContact SG-CB 3.2Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.86Å; I26-C88 HydrophobicContact CG2-CB 4.26Å; N27-C88 CarbonylContact O-C 3.6Å; N27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.34Å; W28-C88 HydrophobicContact CE3-CB 4.2Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å; C88-G104 PolarHBondContact O-N 3.07Å
89A96.8Very high90Very high2 Ų262 Ų622%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-141.2138.4176.700000111.8N27 F100 V102 W103N27-A89 PolarHBondContact N-O 3.33Å; N27-A89 PolarHBondContact ND2-O 2.97Å; N27-A89 PolarHBondContact O-N 2.87Å; A89-F100 HydrophobicContact CB-CB 4.14Å; A89-F100 HydrophobicContact CB-CD1 4.43Å; A89-F100 HydrophobicContact CB-CD2 4.49Å; A89-F100 HydrophobicContact CB-CG 4.12Å; A89-V102 CarbonylContact C-O 3.58Å; A89-V102 WeakPolarHBondContact CA-O 3.17Å; A89-W103 HydrophobicContact CB-CD2 3.68Å; A89-W103 HydrophobicContact CB-CE3 3.79Å; A89-W103 HydrophobicContact CB-CG 4.16Å; A89-W103 HydrophobicContact CB-CH2 4.38Å; A89-W103 HydrophobicContact CB-CZ2 4.32Å; A89-W103 HydrophobicContact CB-CZ3 4.12Å
90R95.4Very high89.7Confident46 Ų4662 Ų6217%0.17431%0.314CS..EExtended strand (participates in β ladder)trans-68.2131.8167.4-174.5-179.775.3-176.56.2108.7Y19 Y24 Y25 F100 D101 V102Y19-R90 HydrophobicContact CE2-CG 4.28Å; Y24-R90 HydrophobicContact CD1-CG 4.1Å; Y24-R90 HydrophobicContact CG-CG 3.97Å; Y25-R90 CarbonylContact O-C 3.5Å; Y25-R90 WeakPolarHBondContact O-CA 3.35Å; R90-F100 WeakPolarHBondContact O-CA 3.44Å; R90-D101 WeakPolarHBondContact CB-OD1 3.34Å; R90-D101 IonicContact CZ-OD1 3.46Å; R90-D101 IonicContact CZ-OD2 3.31Å; R90-D101 VanDerWaalsContact CZ-OD2 3.31Å; R90-D101 VanDerWaalsContact NE-CG 3.32Å; R90-D101 IonicContact NE-OD1 2.77Å; R90-D101 PolarHBondContact NE-OD1 3.24Å; R90-D101 IonicContact NE-OD2 3.2Å; R90-D101 PolarHBondContact NE-OD2 3.14Å; R90-D101 IonicContact NH2-OD1 3.41Å; R90-D101 PolarHBondContact NH2-OD1 3.08Å; R90-D101 IonicContact NH2-OD2 2.66Å; R90-D101 PolarHBondContact NH2-OD2 3.11Å; R90-D101 PolarHBondContact O-N 3.05Å; R90-V102 HydrophobicContact CB-CB 4Å; R90-V102 PolarHBondContact N-O 3.1Å
91G91Very high89.4Confident1 Ų161.4 Ų61.41%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-113.9132.8176.100000112.1Y25 N27 Y99Y25-G91 PolarHBondContact N-O 2.79Å; Y25-G91 PolarHBondContact O-N 3.38Å; N27-G91 WeakPolarHBondContact ND2-CA 3.47Å; N27-G91 PolarHBondContact ND2-N 3Å; G91-Y99 VanDerWaalsContact CA-O 3.31Å; G91-Y99 WeakPolarHBondContact CA-O 2.97Å
92T84.5Confident89.2Confident34 Ų3458.2 Ų58.221%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-117.7154.4170.470.70000109.7Y24 Y99 D101Y24-T92 HydrophobicContact CD1-CG2 3.78Å; Y24-T92 HydrophobicContact CE1-CG2 3.77Å; T92-Y99 PolarHBondContact N-O 3.29Å; T92-Y99 PolarHBondContact O-N 3.41Å; T92-D101 VanDerWaalsContact CG2-OD2 3.32Å; T92-D101 WeakPolarHBondContact CG2-OD2 3.25Å
93Y80.1Confident89.2Confident118 Ų11863 Ų6346%0.46331%0.311SS..EExtended strand (participates in β ladder)trans-106124.7171.4-84.2-72.4000109.3Y25 R42 L97 L98Y25-Y93 HydrophobicContact CD2-CD2 4.13Å; Y25-Y93 AromaticContact CD2-CE2 3.94Å; Y25-Y93 HydrophobicContact CD2-CE2 3.94Å; Y25-Y93 AromaticContact CE2-CD2 3.87Å; Y25-Y93 HydrophobicContact CE2-CD2 3.87Å; Y25-Y93 AromaticContact CE2-CE2 3.55Å; Y25-Y93 HydrophobicContact CE2-CE2 3.55Å; R42-Y93 VanDerWaalsContact NH1-CE2 3.27Å; R42-Y93 PolarHBondContact NH1-OH 2.8Å; R42-Y93 PolarHBondContact NH2-OH 2.79Å; Y93-L97 WeakPolarHBondContact CA-O 3.38Å; Y93-L98 HydrophobicContact CE1-CB 4.4Å; Y93-L98 HydrophobicContact CE1-CD1 4.05Å; Y93-L98 HydrophobicContact CE2-CD1 4.22Å
94Y76Confident89.1Confident161 Ų16162.6 Ų62.663%0.63131%0.313SS*.EExtended strand (participates in β ladder)trans-132.4120.6171.6-172.5-93.1000108.8N96 L97 Y99Y94-N96 VanDerWaalsContact C-N 3.31Å; Y94-N96 PolarHBondContact O-N 3.31Å; Y94-L97 PolarHBondContact N-O 3.37Å; Y94-L97 WeakPolarHBondContact O-CB 3.47Å; Y94-L97 PolarHBondContact O-N 3.17Å; Y94-Y99 HydrophobicContact CD1-CE2 4.47Å
95S80.2Confident89Confident91 Ų9169.2 Ų69.264%0.63635%0.353SS*.THydrogen-bonded Turntrans50.545.4-179.8-550000114L97S95-L97 PolarHBondContact O-N 2.84Å
96N76.2Confident88.9Confident161 Ų16168.3 Ų68.386%0.86135%0.352SS*.THydrogen-bonded Turntrans65.46.2-176.1-56.8-47.7000116.3Y94Y94-N96 VanDerWaalsContact C-N 3.31Å; Y94-N96 PolarHBondContact O-N 3.31Å
97L75.8Confident88.9Confident99 Ų9970.9 Ų70.952%0.51837%0.368SS..EExtended strand (participates in β ladder)trans-99.4139.4173.7-63.5173.3000110.4Y93 Y94 S95 Y99Y93-L97 WeakPolarHBondContact CA-O 3.38Å; Y94-L97 PolarHBondContact N-O 3.37Å; Y94-L97 WeakPolarHBondContact O-CB 3.47Å; Y94-L97 PolarHBondContact O-N 3.17Å; S95-L97 PolarHBondContact O-N 2.84Å; L97-Y99 HydrophobicContact CB-CD2 4.2Å; L97-Y99 HydrophobicContact CB-CE2 3.46Å; L97-Y99 VanDerWaalsContact CB-CE2 3.46Å; L97-Y99 HydrophobicContact CD1-CE2 4.44Å; L97-Y99 VanDerWaalsContact CD1-OH 3.32Å; L97-Y99 WeakPolarHBondContact CD1-OH 3.49Å; L97-Y99 WeakPolarHBondContact O-CD2 3.39Å
98L78.8Confident88.9Confident67 Ų6772.2 Ų72.235%0.35138%0.379SS..EExtended strand (participates in β ladder)trans-87120.2176.4-172.587.9000108.7Y93 F100Y93-L98 HydrophobicContact CE1-CB 4.4Å; Y93-L98 HydrophobicContact CE1-CD1 4.05Å; Y93-L98 HydrophobicContact CE2-CD1 4.22Å; L98-F100 HydrophobicContact CD1-CE1 4.37Å; L98-F100 HydrophobicContact CD2-CD1 4.39Å; L98-F100 HydrophobicContact CD2-CE1 3.31Å; L98-F100 HydrophobicContact CD2-CE2 4.43Å; L98-F100 HydrophobicContact CD2-CZ 3.35Å; L98-F100 HydrophobicContact CG-CD1 4.43Å; L98-F100 HydrophobicContact CG-CE1 3.69Å; L98-F100 HydrophobicContact CG-CZ 4.23Å
99Y84.9Confident88.9Confident109 Ų10971.5 Ų71.543%0.42737%0.374SS..EExtended strand (participates in β ladder)trans-115136.7177.7-68.4-85.6000110.9G91 T92 Y94 L97G91-Y99 VanDerWaalsContact CA-O 3.31Å; G91-Y99 WeakPolarHBondContact CA-O 2.97Å; T92-Y99 PolarHBondContact N-O 3.29Å; T92-Y99 PolarHBondContact O-N 3.41Å; Y94-Y99 HydrophobicContact CD1-CE2 4.47Å; L97-Y99 HydrophobicContact CB-CD2 4.2Å; L97-Y99 HydrophobicContact CB-CE2 3.46Å; L97-Y99 VanDerWaalsContact CB-CE2 3.46Å; L97-Y99 HydrophobicContact CD1-CE2 4.44Å; L97-Y99 VanDerWaalsContact CD1-OH 3.32Å; L97-Y99 WeakPolarHBondContact CD1-OH 3.49Å; L97-Y99 WeakPolarHBondContact O-CD2 3.39Å
100F91.7Very high88.9Confident60 Ų6074.1 Ų74.126%0.26339%0.389SS..EExtended strand (participates in β ladder)trans-107.3111.7173.4-60-27.1000109.8N27 V29 W39 A89 R90 L98 W103N27-F100 HydrophobicContact CB-CD1 4.46Å; N27-F100 HydrophobicContact CB-CE1 3.74Å; N27-F100 HydrophobicContact CB-CZ 3.8Å; N27-F100 VanDerWaalsContact ND2-CE1 3.28Å; N27-F100 WeakPolarHBondContact ND2-CE1 3.35Å; N27-F100 WeakPolarHBondContact OD1-CE1 3.34Å; V29-F100 HydrophobicContact CG2-CE2 4.35Å; W39-F100 AromaticContact CD1-CZ 3.78Å; A89-F100 HydrophobicContact CB-CB 4.14Å; A89-F100 HydrophobicContact CB-CD1 4.43Å; A89-F100 HydrophobicContact CB-CD2 4.49Å; A89-F100 HydrophobicContact CB-CG 4.12Å; R90-F100 WeakPolarHBondContact O-CA 3.44Å; L98-F100 HydrophobicContact CD1-CE1 4.37Å; L98-F100 HydrophobicContact CD2-CD1 4.39Å; L98-F100 HydrophobicContact CD2-CE1 3.31Å; L98-F100 HydrophobicContact CD2-CE2 4.43Å; L98-F100 HydrophobicContact CD2-CZ 3.35Å; L98-F100 HydrophobicContact CG-CD1 4.43Å; L98-F100 HydrophobicContact CG-CE1 3.69Å; L98-F100 HydrophobicContact CG-CZ 4.23Å; F100-W103 HydrophobicContact CB-CZ2 3.69Å; F100-W103 AromaticContact CD2-CH2 3.78Å; F100-W103 HydrophobicContact CD2-CH2 3.78Å; F100-W103 AromaticContact CD2-CZ2 3.44Å; F100-W103 HydrophobicContact CD2-CZ2 3.44Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.44Å; F100-W103 HydrophobicContact CE2-CH2 4.4Å; F100-W103 HydrophobicContact CE2-CZ2 4.45Å; F100-W103 AromaticContact CG-CZ2 3.99Å; F100-W103 HydrophobicContact CG-CZ2 3.99Å
101D87.3Confident89Confident72 Ų7272.3 Ų72.339%0.38538%0.383SS..EExtended strand (participates in β ladder)trans-110.4-28.4-171.153.57.7000113.6R90 T92R90-D101 WeakPolarHBondContact CB-OD1 3.34Å; R90-D101 IonicContact CZ-OD1 3.46Å; R90-D101 IonicContact CZ-OD2 3.31Å; R90-D101 VanDerWaalsContact CZ-OD2 3.31Å; R90-D101 VanDerWaalsContact NE-CG 3.32Å; R90-D101 IonicContact NE-OD1 2.77Å; R90-D101 PolarHBondContact NE-OD1 3.24Å; R90-D101 IonicContact NE-OD2 3.2Å; R90-D101 PolarHBondContact NE-OD2 3.14Å; R90-D101 IonicContact NH2-OD1 3.41Å; R90-D101 PolarHBondContact NH2-OD1 3.08Å; R90-D101 IonicContact NH2-OD2 2.66Å; R90-D101 PolarHBondContact NH2-OD2 3.11Å; R90-D101 PolarHBondContact O-N 3.05Å; T92-D101 VanDerWaalsContact CG2-OD2 3.32Å; T92-D101 WeakPolarHBondContact CG2-OD2 3.25Å
102V91.5Very high89.1Confident66 Ų6677.7 Ų77.740%0.442%0.421SS..EExtended strand (participates in β ladder)trans-125.4121.2175.9-176.70000109.7A89 R90A89-V102 CarbonylContact C-O 3.58Å; A89-V102 WeakPolarHBondContact CA-O 3.17Å; R90-V102 HydrophobicContact CB-CB 4Å; R90-V102 PolarHBondContact N-O 3.1Å
103W95.6Very high89.3Confident103 Ų10379.9 Ų79.939%0.3943%0.432SS..EExtended strand (participates in β ladder)trans-112139.7179.3-69.277.6000111.1V29 L37 F87 A89 F100V29-W103 HydrophobicContact CB-CH2 4.43Å; V29-W103 HydrophobicContact CB-CZ3 4.05Å; V29-W103 HydrophobicContact CG1-CH2 4.4Å; V29-W103 HydrophobicContact CG1-CZ3 4.29Å; V29-W103 HydrophobicContact CG2-CH2 4.03Å; V29-W103 HydrophobicContact CG2-CZ3 3.98Å; L37-W103 HydrophobicContact CD1-CH2 3.93Å; F87-W103 HydrophobicContact CB-CE3 3.88Å; F87-W103 HydrophobicContact CB-CZ3 4Å; F87-W103 HydrophobicContact CG-CE3 4.38Å; A89-W103 HydrophobicContact CB-CD2 3.68Å; A89-W103 HydrophobicContact CB-CE3 3.79Å; A89-W103 HydrophobicContact CB-CG 4.16Å; A89-W103 HydrophobicContact CB-CH2 4.38Å; A89-W103 HydrophobicContact CB-CZ2 4.32Å; A89-W103 HydrophobicContact CB-CZ3 4.12Å; F100-W103 HydrophobicContact CB-CZ2 3.69Å; F100-W103 AromaticContact CD2-CH2 3.78Å; F100-W103 HydrophobicContact CD2-CH2 3.78Å; F100-W103 AromaticContact CD2-CZ2 3.44Å; F100-W103 HydrophobicContact CD2-CZ2 3.44Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.44Å; F100-W103 HydrophobicContact CE2-CH2 4.4Å; F100-W103 HydrophobicContact CE2-CZ2 4.45Å; F100-W103 AromaticContact CG-CZ2 3.99Å; F100-W103 HydrophobicContact CG-CZ2 3.99Å
104G95.6Very high89.8Confident27 Ų2777.8 Ų77.828%0.27843%0.43SS..  trans-68.8158.9164.100000110.9C88 G106C88-G104 PolarHBondContact O-N 3.07Å; G104-G106 PolarHBondContact O-N 3.32Å; G104-G106 VanDerWaalsContact O-N 3.11Å
105T95.4Very high90.6Very high144 Ų14473.2 Ų73.288%0.88342%0.419SS*.  trans-65.1-14.7-179.755.10000114
106G96.6Very high91.2Very high21 Ų2172.2 Ų72.222%0.21641%0.406CS..  trans86.9151.8-176.600000113.2Y86 G104Y86-G106 CarbonylContact O-C 3.47Å; Y86-G106 VanDerWaalsContact O-CA 3.23Å; Y86-G106 WeakPolarHBondContact O-CA 3.44Å; G104-G106 PolarHBondContact O-N 3.32Å; G104-G106 VanDerWaalsContact O-N 3.11Å
107T97.5Very high92.1Very high58 Ų5866.6 Ų66.636%0.35638%0.377SS..EExtended strand (participates in β ladder)trans-128123.1174.6-690000109.3L12 Y86L12-T107 HydrophobicContact CD2-CG2 4.23Å; Y86-T107 PolarHBondContact N-O 2.84Å; Y86-T107 PolarHBondContact O-N 3.48Å
108T97.9Very high93.2Very high61 Ų6164.5 Ų64.537%0.37437%0.368SS..EExtended strand (participates in β ladder)trans-72.2126.7172.7-48.60000110.4A1 E2 A84A1-T108 CarbonylContact C-O 3.54Å; A1-T108 WeakPolarHBondContact CA-O 3.32Å; E2-T108 PolarHBondContact N-O 3.23Å; A84-T108 WeakPolarHBondContact O-CA 3.24Å
109V97.8Very high94.3Very high0 Ų064.3 Ų64.30%037%0.369CS..EExtended strand (participates in β ladder)trans-111.8130.4165.3178.80000107.5E2 V4 V10 L12 L78 S83 A84 Y86 V111E2-V109 CarbonylContact O-C 3.48Å; E2-V109 WeakPolarHBondContact O-CA 3.47Å; V4-V109 HydrophobicContact CG2-CG1 4.1Å; V10-V109 HydrophobicContact CG1-CG1 4.49Å; L12-V109 HydrophobicContact CD1-CG2 4.38Å; L12-V109 HydrophobicContact CD2-CG2 3.94Å; L78-V109 HydrophobicContact CD1-CG1 4.49Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.39Å; A84-V109 PolarHBondContact N-O 3.2Å; A84-V109 PolarHBondContact O-N 2.88Å; Y86-V109 HydrophobicContact CD2-CB 3.96Å; Y86-V109 HydrophobicContact CD2-CG2 3.73Å; Y86-V109 HydrophobicContact CE2-CB 3.78Å; Y86-V109 HydrophobicContact CE2-CG2 3.99Å; V109-V111 HydrophobicContact CG1-CG2 4.44Å
110T97.8Very high95Very high57 Ų5760.8 Ų60.835%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-120.5128.9177.6-56.20000109E2 L3 V4E2-T110 PolarHBondContact O-N 3.27Å; L3-T110 WeakPolarHBondContact CA-O 3.39Å; L3-T110 HydrophobicContact CD1-CG2 3.78Å; V4-T110 PolarHBondContact N-O 3.32Å
111V97.1Very high95.3Very high8 Ų860.9 Ų60.95%0.04837%0.373CS..EExtended strand (participates in β ladder)trans-113.5109.9179.7-168.50000108.7V4 P6 L78 T79 D82 S83 V109V4-V111 HydrophobicContact CG2-CB 4.39Å; V4-V111 HydrophobicContact CG2-CG1 4.44Å; V4-V111 HydrophobicContact CG2-CG2 3.82Å; V4-V111 WeakPolarHBondContact O-CA 3.43Å; P6-V111 HydrophobicContact CB-CG1 4.41Å; P6-V111 HydrophobicContact CG-CG1 4.15Å; L78-V111 HydrophobicContact CB-CG1 4.22Å; L78-V111 HydrophobicContact CB-CG2 4Å; L78-V111 HydrophobicContact CD1-CG2 4.31Å; T79-V111 WeakPolarHBondContact O-CB 3.47Å; T79-V111 WeakPolarHBondContact O-CG2 2.93Å; D82-V111 HydrophobicContact CB-CG2 4.31Å; S83-V111 PolarHBondContact OG-N 3.49Å; V109-V111 HydrophobicContact CG1-CG2 4.44Å
112S93.2Very high96Very high114 Ų11459.9 Ų59.980%0.79737%0.372SS*.  trans-146.40-177.967.40000112.6L3 V4L3-S112 WeakPolarHBondContact CD1-OG 3.46Å; V4-S112 PolarHBondContact O-N 2.7Å; V4-S112 VanDerWaalsContact O-N 3.16Å

Retrieved 112 of 112 residues in 43.3 ms (Link to these results)

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