X5J4N7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 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
1A80.1Confident93.9Very high113 Ų11374.3 Ų74.393%0.93445%0.449SS*.  0142.9000000107.9L106A1-L106 CarbonylContact C-O 3.59Å; A1-L106 WeakPolarHBondContact CA-O 3.32Å; A1-L106 HydrophobicContact CB-CB 3.98Å; A1-L106 HydrophobicContact CB-CD2 4.39Å; A1-L106 HydrophobicContact CB-CG 4.47Å
2E89Confident94.2Very high71 Ų7168.7 Ų68.733%0.33242%0.415SS..EExtended strand (participates in β ladder)trans-128.8127.7-175.4-158172.1150.400110V4 V10 L106 V107 T108E2-V4 HydrophobicContact CG-CG1 3.87Å; E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.46Å; E2-L106 PolarHBondContact N-O 3.36Å; E2-V107 CarbonylContact O-C 3.57Å; E2-V107 WeakPolarHBondContact O-CA 3.37Å; E2-T108 PolarHBondContact O-N 3.39Å
3L94.3Very high94.4Very high123 Ų12369.2 Ų69.264%0.64442%0.423SS*.EExtended strand (participates in β ladder)trans-106.3120.2176.4-178.466.2000108.3T108 S110L3-T108 WeakPolarHBondContact CA-O 3.36Å; L3-T108 HydrophobicContact CD1-CG2 3.73Å; L3-S110 WeakPolarHBondContact CD1-OG 3.38Å
4V95.4Very high94.6Very high17 Ų1765.3 Ų65.310%0.10340%0.4CS..EExtended strand (participates in β ladder)trans-134153-173.2-61.10000111.2E2 A8 L78 V107 T108 V109 S110E2-V4 HydrophobicContact CG-CG1 3.87Å; V4-A8 HydrophobicContact CB-CB 4.32Å; V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; V4-V107 HydrophobicContact CG2-CG1 4.14Å; V4-T108 PolarHBondContact N-O 2.6Å; V4-V109 HydrophobicContact CG2-CB 4.4Å; V4-V109 HydrophobicContact CG2-CG1 4.47Å; V4-V109 HydrophobicContact CG2-CG2 3.83Å; V4-V109 WeakPolarHBondContact O-CA 3.5Å; V4-S110 PolarHBondContact O-N 2.99Å; V4-S110 VanDerWaalsContact O-N 3.07Å
5K95.8Very high94.7Very high149 Ų14971.4 Ų71.465%0.64842%0.419SS*.  trans-80.8152.3176.5-66.7-176.8177.6-176.40111.1G7 A8K5-G7 PolarHBondContact O-N 3.26Å; K5-A8 WeakPolarHBondContact O-CB 3.41Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6P96.9Very high94.7Very high77 Ų7767.8 Ų67.850%0.540%0.399SS..THydrogen-bonded Turntrans-52.8140.2169.6-2533.9000111.9A8 L78 V109 S110P6-A8 PolarHBondContact O-N 3.24Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.36Å; P6-V109 HydrophobicContact CB-CG1 4.45Å; P6-V109 HydrophobicContact CG-CG1 4.2Å; P6-S110 WeakPolarHBondContact CD-O 3.46Å
7G95.3Very high94.5Very high53 Ų5369.8 Ų69.855%0.54642%0.418SS..THydrogen-bonded Turntrans82.3-12.6-176.400000114.9K5 L78K5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 2.85Å
8A96.2Very high94.4Very high34 Ų3470.7 Ų70.728%0.28144%0.444SS..  trans-68.4169175.800000112V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.32Å; K5-A8 WeakPolarHBondContact O-CB 3.41Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 2.67Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 WeakPolarHBondContact O-CG 3.19Å; A8-L78 PolarHBondContact O-N 2.77Å
9S96.8Very high94.2Very high63 Ų6369.3 Ų69.344%0.44143%0.43SS..  trans-116.6145.6170.5-57.20000109.9L75S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 WeakPolarHBondContact CB-O 3.22Å
10V96.7Very high94.2Very high2 Ų270.2 Ų70.21%0.01244%0.435CS..EExtended strand (participates in β ladder)trans-120.9140.9174.660.70000109.8E2 M12 Q74 L75 L78 V107E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.46Å; V10-M12 HydrophobicContact CG1-CE 4.21Å; V10-Q74 CarbonylContact O-C 3.52Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.87Å; V10-L75 HydrophobicContact CG1-CD1 4.2Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 3.45Å; V10-L75 PolarHBondContact O-N 2.03Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.37Å; V10-V107 HydrophobicContact CG1-CG1 4.49Å
11K97.1Very high94.3Very high115 Ų11567.1 Ų67.150%0.542%0.415SS..EExtended strand (participates in β ladder)trans-118.1114.6171.6-175.3178.3179179.70109.5Y72 M73K11-Y72 HydrophobicContact CD-CD1 4.42Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; K11-M73 WeakPolarHBondContact CA-O 3.5Å
12M96.4Very high95Very high7 Ų764.4 Ų64.43%0.03439%0.388CS..EExtended strand (participates in β ladder)trans-103.9150.6176.358.7-171.881.100111.3V10 W28 Y72 M73 L75 Y86 V107V10-M12 HydrophobicContact CG1-CE 4.21Å; M12-W28 HydrophobicContact CB-CH2 4.44Å; M12-W28 HydrophobicContact CB-CZ3 4.36Å; M12-W28 HydrophobicContact CG-CE3 4.23Å; M12-W28 HydrophobicContact CG-CH2 3.76Å; M12-W28 HydrophobicContact CG-CZ3 3.5Å; M12-W28 VanDerWaalsContact CG-CZ3 3.5Å; M12-W28 HydrophobicContact SD-CE3 3.91Å; M12-W28 HydrophobicContact SD-CH2 4.41Å; M12-W28 HydrophobicContact SD-CZ3 3.55Å; M12-W28 VanDerWaalsContact SD-CZ3 3.55Å; M12-Y72 WeakPolarHBondContact O-CA 3.41Å; M12-M73 HydrophobicContact CE-CE 3.47Å; M12-M73 VanDerWaalsContact CE-CE 3.47Å; M12-M73 HydrophobicContact CG-CB 3.88Å; M12-M73 HydrophobicContact CG-CE 4.06Å; M12-M73 WeakPolarHBondContact CG-O 3.44Å; M12-M73 PolarHBondContact N-O 2.85Å; M12-M73 PolarHBondContact O-N 2.93Å; M12-M73 HydrophobicContact SD-CB 4.46Å; M12-M73 HydrophobicContact SD-CE 3.18Å; M12-M73 WeakPolarHBondContact SD-CE 3.25Å; M12-L75 HydrophobicContact CE-CD1 3.81Å; M12-L75 HydrophobicContact CE-CG 4.42Å; M12-Y86 HydrophobicContact CE-CD1 4.14Å; M12-Y86 HydrophobicContact CE-CD2 4.04Å; M12-Y86 HydrophobicContact CE-CG 3.73Å; M12-Y86 WeakPolarHBondContact SD-CB 3.44Å; M12-Y86 HydrophobicContact SD-CD1 4.43Å; M12-Y86 HydrophobicContact SD-CG 4.01Å; M12-V107 HydrophobicContact CE-CG2 4.21Å
13S97.2Very high95.3Very high75 Ų7563.8 Ų63.852%0.52439%0.391SS..EExtended strand (participates in β ladder)trans-119.3148.2-178.362.70000111.6A71 Y72S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14C97.1Very high95.3Very high15 Ų1558.8 Ų58.810%0.10136%0.364CS..EExtended strand (participates in β ladder)trans-129.9101.6172.6-176.80000107.8W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; C14-A71 HydrophobicContact CB-CB 4.46Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.8Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 2.95Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.34Å
15K96.6Very high95.3Very high157 Ų15761.5 Ų61.568%0.68337%0.372SS*.EExtended strand (participates in β ladder)trans-89.8124.9-179.7-173.9173.4-175.41780110T70K15-T70 HydrophobicContact CB-CG2 4.47Å
16A94.1Very high95.4Very high13 Ų1354.5 Ų54.511%0.10734%0.342CS..  trans-78.114917700000112.1Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 4.18Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 3.94Å; A16-F21 HydrophobicContact CB-CD2 3.29Å; A16-F21 HydrophobicContact CB-CE2 3.96Å; A16-F21 HydrophobicContact CB-CG 3.86Å; A16-S69 WeakPolarHBondContact CB-O 3.38Å; A16-S69 PolarHBondContact N-O 2.82Å
17S92.4Very high95.5Very high103 Ų10351.6 Ų51.672%0.7232%0.322SS*.  trans-149.1140.6173.359.30000110.1Y19S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 3.06Å
18G91.4Very high95.6Very high86 Ų8649.3 Ų49.389%0.88730%0.297SS*.SBendtrans77.814.6173.200000116.5
19Y91.6Very high95.7Very high44 Ų4447.8 Ų47.817%0.17329%0.285CS..SBendtrans-155.3165.517465.5-83.1000112A16 S17 F21 Y24 I26 R90A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 4.18Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 3.06Å; Y19-F21 HydrophobicContact CE2-CB 4.5Å; Y19-F21 HydrophobicContact CE2-CD2 4.28Å; Y19-F21 PolarHBondContact O-N 3.03Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CG 4.12Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CG 4.2Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.13Å; Y19-R90 VanDerWaalsContact CE1-NE 3.34Å; Y19-R90 VanDerWaalsContact CZ-CD 3.44Å
20T94.7Very high95.7Very high86 Ų8644.8 Ų44.853%0.52826%0.264SS..  trans-70.894.8173.4-51.70000110.2T22 S23 Y24T20-T22 PolarHBondContact O-N 2.95Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 PolarHBondContact O-N 3.19Å; T20-Y24 WeakPolarHBondContact O-CD2 3.33Å
21F95.1Very high95.7Very high6 Ų647.9 Ų47.93%0.02628%0.278CS..G310 helixtrans-52.9-35.7-174.2177.4-119.8000114.3A16 Y19 S23 I26 P45 V64 S69 A71A16-F21 HydrophobicContact CB-CB 3.94Å; A16-F21 HydrophobicContact CB-CD2 3.29Å; A16-F21 HydrophobicContact CB-CE2 3.96Å; A16-F21 HydrophobicContact CB-CG 3.86Å; Y19-F21 HydrophobicContact CE2-CB 4.5Å; Y19-F21 HydrophobicContact CE2-CD2 4.28Å; Y19-F21 PolarHBondContact O-N 3.03Å; F21-S23 PolarHBondContact O-N 2.98Å; F21-I26 HydrophobicContact CD2-CD1 4.13Å; F21-I26 HydrophobicContact CD2-CG1 4.42Å; F21-I26 HydrophobicContact CE2-CD1 3.75Å; F21-I26 HydrophobicContact CE2-CG1 3.66Å; F21-I26 HydrophobicContact CZ-CG1 4.33Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.18Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.59Å; F21-P45 HydrophobicContact CE1-CG 3.78Å; F21-P45 HydrophobicContact CE2-CB 4.47Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CB 4.4Å; F21-P45 HydrophobicContact CG-CG 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.93Å; F21-P45 HydrophobicContact CZ-CG 3.56Å; F21-P45 WeakPolarHBondContact O-CG 3.5Å; F21-V64 HydrophobicContact CE1-CG2 3.35Å; F21-V64 HydrophobicContact CZ-CG2 3.58Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 3.98Å
22T96.1Very high95.7Very high57 Ų5745 Ų4535%0.3526%0.264SS..G310 helixtrans-72.1-5.2-179.150.60000115.2T20 Y44 G46 T66T20-T22 PolarHBondContact O-N 2.95Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-Y44 PolarHBondContact O-OH 2.94Å; T22-G46 WeakPolarHBondContact O-CA 3.3Å; T22-G46 PolarHBondContact O-N 3.43Å; T22-T66 HydrophobicContact CG2-CG2 3.98Å
23S94.3Very high95.4Very high58 Ų5850.3 Ų50.341%0.40630%0.299SS..G310 helixtrans-104.71.8-177-54.90000114.5T20 F21T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 PolarHBondContact O-N 3.19Å; F21-S23 PolarHBondContact O-N 2.98Å
24Y94.4Very high95.2Very high17 Ų1751.2 Ų51.27%0.06732%0.32CS..SBendtrans-132.4140.2-172.7-68.4-92.8000112.2Y19 T20 P45 H91 Y93Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CG 4.12Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CG 4.2Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; T20-Y24 WeakPolarHBondContact O-CD2 3.33Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; Y24-H91 AromaticContact CD1-CE1 3.26Å; Y24-H91 WeakPolarHBondContact CD1-CE1 3.35Å; Y24-H91 AromaticContact CD1-ND1 3.59Å; Y24-H91 AromaticContact CD1-NE2 3.8Å; Y24-H91 AromaticContact CE1-CE1 3.75Å; Y24-H91 AromaticContact CE1-ND1 3.88Å; Y24-Y93 WeakPolarHBondContact OH-CD1 3.13Å; Y24-Y93 WeakPolarHBondContact OH-CE1 3.26Å; Y24-Y93 VanDerWaalsContact OH-CZ 3.29Å
25W96Very high95Very high75 Ų7555.3 Ų55.328%0.28434%0.338SS..  trans-67.3134167.3-72.789.8000110.7D42 Y44 S49 N51 R90 H91W25-D42 HydrophobicContact CE3-CB 3.87Å; W25-D42 HydrophobicContact CZ3-CB 4.5Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.06Å; W25-Y44 AromaticContact CD1-CD2 3.73Å; W25-Y44 AromaticContact CD2-CD2 3.99Å; W25-Y44 HydrophobicContact CD2-CD2 3.99Å; W25-Y44 HydrophobicContact CD2-CG 4.29Å; W25-Y44 AromaticContact CE2-CD2 3.85Å; W25-Y44 VanDerWaalsContact CE3-N 3.32Å; W25-Y44 AromaticContact CG-CD2 3.94Å; W25-Y44 HydrophobicContact CG-CD2 3.94Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 AromaticContact NE1-CD2 3.65Å; W25-S49 WeakPolarHBondContact CZ3-O 3.22Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.46Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.19Å; W25-R90 WeakPolarHBondContact O-CB 3.21Å; W25-H91 PolarHBondContact N-NE2 3.43Å
26I97.4Very high94.8Very high2 Ų250.5 Ų50.51%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-103.9115.3171.7-50.2-59.3000108Y19 F21 D42 I43 P45 A71 C88 R90Y19-I26 WeakPolarHBondContact OH-CD1 3.13Å; F21-I26 HydrophobicContact CD2-CD1 4.13Å; F21-I26 HydrophobicContact CD2-CG1 4.42Å; F21-I26 HydrophobicContact CE2-CD1 3.75Å; F21-I26 HydrophobicContact CE2-CG1 3.66Å; F21-I26 HydrophobicContact CZ-CG1 4.33Å; I26-D42 CarbonylContact O-C 3.48Å; I26-D42 WeakPolarHBondContact O-CA 3.18Å; I26-D42 WeakPolarHBondContact O-CB 3.47Å; I26-I43 HydrophobicContact CB-CG2 4.13Å; I26-I43 PolarHBondContact N-O 3.49Å; I26-I43 PolarHBondContact O-N 3.12Å; I26-P45 HydrophobicContact CG1-CG 3.84Å; I26-A71 HydrophobicContact CB-CB 4.11Å; I26-A71 HydrophobicContact CG1-CB 4.16Å; I26-A71 HydrophobicContact CG2-CB 3.83Å; I26-C88 HydrophobicContact CG2-CB 4.25Å; I26-R90 HydrophobicContact CD1-CB 4.41Å
27T97.6Very high94.9Very high15 Ų1554.3 Ų54.39%0.09235%0.351CS..EExtended strand (participates in β ladder)trans-99.4138.9-177-54.50000110.8V29 C88 A89 F98T27-V29 HydrophobicContact CG2-CG2 4.12Å; T27-C88 CarbonylContact O-C 3.55Å; T27-C88 WeakPolarHBondContact O-CA 3.48Å; T27-A89 PolarHBondContact N-O 3.16Å; T27-A89 PolarHBondContact O-N 2.8Å; T27-F98 HydrophobicContact CG2-CD1 4.43Å; T27-F98 HydrophobicContact CG2-CE1 3.46Å; T27-F98 VanDerWaalsContact CG2-CE1 3.46Å; T27-F98 HydrophobicContact CG2-CZ 3.98Å
28W98.3Very high95.1Very high5 Ų551 Ų512%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-108.6135.3174.1-67.692.5000111M12 C14 I40 G41 L62 A71 M73 Y87 C88M12-W28 HydrophobicContact CB-CH2 4.44Å; M12-W28 HydrophobicContact CB-CZ3 4.36Å; M12-W28 HydrophobicContact CG-CE3 4.23Å; M12-W28 HydrophobicContact CG-CH2 3.76Å; M12-W28 HydrophobicContact CG-CZ3 3.5Å; M12-W28 VanDerWaalsContact CG-CZ3 3.5Å; M12-W28 HydrophobicContact SD-CE3 3.91Å; M12-W28 HydrophobicContact SD-CH2 4.41Å; M12-W28 HydrophobicContact SD-CZ3 3.55Å; M12-W28 VanDerWaalsContact SD-CZ3 3.55Å; C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 2.81Å; W28-G41 PolarHBondContact N-O 3.07Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-A71 HydrophobicContact CZ2-CB 4.44Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.22Å; W28-M73 HydrophobicContact CE3-CB 3.97Å; W28-M73 HydrophobicContact CE3-CE 4Å; W28-M73 HydrophobicContact CE3-SD 4.42Å; W28-M73 HydrophobicContact CG-CB 4.07Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.21Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.25Å; W28-Y87 WeakPolarHBondContact CA-O 3.1Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.48Å; W28-C88 HydrophobicContact CZ3-CB 4.06Å
29V98Very high95.4Very high2 Ų251 Ų511%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-136.3137-174.1-175.50000109.9T27 L37 E38 Y86 Y87 F98 W101T27-V29 HydrophobicContact CG2-CG2 4.12Å; V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.49Å; V29-E38 WeakPolarHBondContact CA-O 3.24Å; V29-Y86 CarbonylContact O-C 3.44Å; V29-Y86 WeakPolarHBondContact O-CA 3.12Å; V29-Y87 PolarHBondContact N-O 2.84Å; V29-Y87 PolarHBondContact O-N 2.9Å; V29-F98 HydrophobicContact CG2-CD1 4.29Å; V29-F98 HydrophobicContact CG2-CE1 3.65Å; V29-W101 HydrophobicContact CB-CH2 4.2Å; V29-W101 HydrophobicContact CB-CZ3 3.92Å; V29-W101 HydrophobicContact CG1-CH2 4.16Å; V29-W101 HydrophobicContact CG1-CZ3 4.19Å; V29-W101 HydrophobicContact CG2-CH2 3.87Å; V29-W101 HydrophobicContact CG2-CZ3 3.9Å
30K97.4Very high95.7Very high1 Ų148.9 Ų48.90%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-103.8139.5173.9-179.6179.2-177.9176.90110.2R32 E38 I40 F56 D81 D82 A84 Y86K30-R32 VanDerWaalsContact NZ-NH2 3.17Å; K30-E38 HydrophobicContact CB-CB 4.32Å; K30-E38 PolarHBondContact N-O 3.46Å; K30-E38 PolarHBondContact O-N 2.92Å; K30-I40 HydrophobicContact CB-CD1 3.9Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; K30-D81 WeakPolarHBondContact CE-O 3.28Å; K30-D81 PolarHBondContact NZ-O 2.8Å; K30-D82 IonicContact NZ-OD1 3.82Å; K30-D82 PolarHBondContact NZ-OD1 2.96Å; K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.59Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å
31Q97.5Very high95.8Very high66 Ų6644.8 Ų44.831%0.30826%0.264SS..EExtended strand (participates in β ladder)trans-131.2113.9171.8-169.4-177.732.500110.2L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 3.08Å; Q31-V85 PolarHBondContact O-N 3.46Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 3.08Å
32R95.3Very high95.9Very high56 Ų5645.6 Ų45.621%0.21127%0.268CS..  trans-83.9150.9170.2-59.7-165.1-17086.62.6110.5K30 G34 Q35 E38 D81 A84K30-R32 VanDerWaalsContact NZ-NH2 3.17Å; R32-G34 PolarHBondContact O-N 2.84Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 3.03Å; R32-E38 IonicContact CZ-OE1 3.69Å; R32-E38 IonicContact NH1-OE1 2.67Å; R32-E38 PolarHBondContact NH1-OE1 2.9Å; R32-E38 IonicContact NH1-OE2 3.98Å; R32-E38 IonicContact NH2-OE1 3.46Å; R32-D81 PolarHBondContact NE-O 2.75Å; R32-D81 PolarHBondContact NH2-O 2.91Å; R32-A84 HydrophobicContact CG-CB 4.25Å
33P90.9Very high96Very high117 Ų11743 Ų4376%0.7625%0.253SS*.THydrogen-bonded Turntrans-53.2126.7172.8-25.134.5000111.5Q35P33-Q35 PolarHBondContact O-N 3.39Å
34G92.1Very high96.2Very high95 Ų9543.5 Ų43.598%0.97925%0.246SC*.THydrogen-bonded Turntrans71.85.4179.900000115.7R32R32-G34 PolarHBondContact O-N 2.84Å
35Q93.3Very high96.3Very high101 Ų10142.9 Ų42.947%0.47224%0.244SC..SBendtrans-113.5162.6176.4-57.7-174.15.800111.7R32 P33R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 3.03Å; P33-Q35 PolarHBondContact O-N 3.39Å
36G93.6Very high96.3Very high55 Ų5541.6 Ų41.657%0.56725%0.254SS*.  trans-68174.7173.300000113.2
37L95.6Very high96.3Very high94 Ų9445.1 Ų45.149%0.49228%0.279SS..EExtended strand (participates in β ladder)trans-73.7131.6174-63.7174.9000110.3V29 Q31 W101V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å; L37-W101 HydrophobicContact CD1-CH2 3.84Å; L37-W101 HydrophobicContact CD1-CZ2 4.24Å
38E96.8Very high96.2Very high33 Ų3346.2 Ų46.215%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-111.2115.8174.5-66.8-172.4-87.100109.7V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.49Å; V29-E38 WeakPolarHBondContact CA-O 3.24Å; K30-E38 HydrophobicContact CB-CB 4.32Å; K30-E38 PolarHBondContact N-O 3.46Å; K30-E38 PolarHBondContact O-N 2.92Å; R32-E38 IonicContact CZ-OE1 3.69Å; R32-E38 IonicContact NH1-OE1 2.67Å; R32-E38 PolarHBondContact NH1-OE1 2.9Å; R32-E38 IonicContact NH1-OE2 3.98Å; R32-E38 IonicContact NH2-OE1 3.46Å; E38-I40 PolarHBondContact O-N 2.64Å; E38-K55 IonicContact OE2-NZ 3.36Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.38Å
39W97.1Very high96.2Very high85 Ų8548.8 Ų48.832%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-68.2128172.9177.471.8000110.6N51 N53W39-N51 HydrophobicContact CH2-CB 4.16Å; W39-N51 HydrophobicContact CZ2-CB 4.24Å; W39-N53 HydrophobicContact CE3-CB 3.6Å; W39-N53 HydrophobicContact CZ3-CB 3.76Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.49Å; W39-N53 PolarHBondContact O-ND2 2.83Å
40I97.9Very high96.2Very high0 Ų051.2 Ų51.20%033%0.327CS..EExtended strand (participates in β ladder)trans-93.8-45.7178.8-68.3162.6000110.8W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 3.9Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 2.64Å; I40-N53 WeakPolarHBondContact O-CB 3.18Å; I40-N53 PolarHBondContact O-N 2.88Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 3.98Å; I40-F56 HydrophobicContact CG1-CD2 4.06Å; I40-F56 HydrophobicContact CG1-CE1 4Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 4Å; I40-F56 HydrophobicContact CG1-CZ 4.04Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CD2 4.5Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CB-SD 4.45Å; I40-M73 HydrophobicContact CD1-CE 3.79Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.76Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.92Å
41G97.6Very high96.2Very high0 Ų054.9 Ų54.90%035%0.346CS..EExtended strand (participates in β ladder)trans164.7176.5-171.800000111.2W28 N51W28-G41 PolarHBondContact N-O 3.07Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.36Å
42D97.4Very high96.2Very high24 Ų2454.4 Ų54.413%0.12834%0.342CS..EExtended strand (participates in β ladder)trans-141.4159.117555.239.7000111.5W25 I26 T50 N51 L62W25-D42 HydrophobicContact CE3-CB 3.87Å; W25-D42 HydrophobicContact CZ3-CB 4.5Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.06Å; I26-D42 CarbonylContact O-C 3.48Å; I26-D42 WeakPolarHBondContact O-CA 3.18Å; I26-D42 WeakPolarHBondContact O-CB 3.47Å; D42-T50 VanDerWaalsContact O-CA 3.27Å; D42-T50 WeakPolarHBondContact O-CA 3.18Å; D42-N51 PolarHBondContact N-O 3.05Å; D42-N51 PolarHBondContact O-N 3.24Å; D42-N51 VanDerWaalsContact OD1-CB 3.23Å; D42-N51 WeakPolarHBondContact OD1-CB 3.11Å; D42-N51 PolarHBondContact OD1-N 3.37Å; D42-N51 PolarHBondContact OD1-ND2 3.12Å; D42-L62 WeakPolarHBondContact O-CD1 3.24Å
43I98.1Very high96.3Very high3 Ų353.7 Ų53.72%0.01534%0.343CS..EExtended strand (participates in β ladder)trans-133.5135.4176.4-175164.9000109.5I26 P45 S49 T50 L62 V64 A71I26-I43 HydrophobicContact CB-CG2 4.13Å; I26-I43 PolarHBondContact N-O 3.49Å; I26-I43 PolarHBondContact O-N 3.12Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; I43-S49 CarbonylContact C-O 3.55Å; I43-S49 WeakPolarHBondContact CA-O 3.17Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.83Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.23Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; I43-V64 HydrophobicContact CD1-CB 3.98Å; I43-V64 HydrophobicContact CD1-CG1 4.14Å; I43-A71 HydrophobicContact CG2-CB 4.29Å
44Y97.3Very high96.6Very high67 Ų6754.5 Ų54.526%0.26334%0.336SS..EExtended strand (participates in β ladder)trans-95.7107.5172.6-169.9-111.9000109.8T22 W25 G46 S47 G48 S49T22-Y44 PolarHBondContact O-OH 2.94Å; W25-Y44 AromaticContact CD1-CD2 3.73Å; W25-Y44 AromaticContact CD2-CD2 3.99Å; W25-Y44 HydrophobicContact CD2-CD2 3.99Å; W25-Y44 HydrophobicContact CD2-CG 4.29Å; W25-Y44 AromaticContact CE2-CD2 3.85Å; W25-Y44 VanDerWaalsContact CE3-N 3.32Å; W25-Y44 AromaticContact CG-CD2 3.94Å; W25-Y44 HydrophobicContact CG-CD2 3.94Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 AromaticContact NE1-CD2 3.65Å; Y44-G46 PolarHBondContact O-N 2.85Å; Y44-G46 VanDerWaalsContact O-N 3.15Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.48Å; Y44-S47 PolarHBondContact O-N 3.46Å; Y44-G48 WeakPolarHBondContact O-CA 3.1Å; Y44-G48 PolarHBondContact O-N 2.74Å; Y44-S49 PolarHBondContact N-O 3.01Å
45P97.1Very high96.7Very high5 Ų557.2 Ų57.23%0.03232%0.321CS..THydrogen-bonded Turntrans-60.8-26.5-175.1-2839.8000114.5F21 Y24 I26 I43 V64 T66F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.18Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.59Å; F21-P45 HydrophobicContact CE1-CG 3.78Å; F21-P45 HydrophobicContact CE2-CB 4.47Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CB 4.4Å; F21-P45 HydrophobicContact CG-CG 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.93Å; F21-P45 HydrophobicContact CZ-CG 3.56Å; F21-P45 WeakPolarHBondContact O-CG 3.5Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; I26-P45 HydrophobicContact CG1-CG 3.84Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-V64 HydrophobicContact CB-CG2 3.7Å; P45-V64 HydrophobicContact CG-CG2 4.08Å; P45-T66 WeakPolarHBondContact O-CG2 3.37Å
46G96.3Very high96.8Very high48 Ų4852.9 Ų52.950%0.49530%0.3SS..THydrogen-bonded Turntrans-70.5-27.1-178.900000114.7T22 Y44T22-G46 WeakPolarHBondContact O-CA 3.3Å; T22-G46 PolarHBondContact O-N 3.43Å; Y44-G46 PolarHBondContact O-N 2.85Å; Y44-G46 VanDerWaalsContact O-N 3.15Å
47S96.6Very high96.8Very high76 Ų7655.6 Ų55.653%0.53130%0.297SS..THydrogen-bonded Turntrans-124.2-14.3-179.965.80000113.9Y44 S49Y44-S47 WeakPolarHBondContact CD1-OG 3.48Å; Y44-S47 PolarHBondContact O-N 3.46Å; S47-S49 PolarHBondContact O-N 2.94Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.37Å; S47-S49 PolarHBondContact OG-N 2.78Å; S47-S49 VanDerWaalsContact OG-N 3.16Å; S47-S49 PolarHBondContact OG-OG 2.53Å
48G96.1Very high96.8Very high37 Ų3756.5 Ų56.538%0.38131%0.311SS..THydrogen-bonded Turntrans73.67.9-169.100000114Y44Y44-G48 WeakPolarHBondContact O-CA 3.1Å; Y44-G48 PolarHBondContact O-N 2.74Å
49S97.8Very high96.7Very high60 Ų6056.7 Ų56.742%0.4231%0.311SS..EExtended strand (participates in β ladder)trans-61.5139.6176.4-62.20000110.7W25 I43 Y44 S47W25-S49 WeakPolarHBondContact CZ3-O 3.22Å; I43-S49 CarbonylContact C-O 3.55Å; I43-S49 WeakPolarHBondContact CA-O 3.17Å; Y44-S49 PolarHBondContact N-O 3.01Å; S47-S49 PolarHBondContact O-N 2.94Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.37Å; S47-S49 PolarHBondContact OG-N 2.78Å; S47-S49 VanDerWaalsContact OG-N 3.16Å; S47-S49 PolarHBondContact OG-OG 2.53Å
50T98.1Very high96.8Very high53 Ų5352.8 Ų52.833%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-130141.1-178.149.70000111.2D42 I43 Y52 L62D42-T50 VanDerWaalsContact O-CA 3.27Å; D42-T50 WeakPolarHBondContact O-CA 3.18Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.83Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-L62 HydrophobicContact CG2-CB 4Å
51N97.7Very high96.8Very high78 Ų7856.2 Ų56.242%0.41732%0.318SS..EExtended strand (participates in β ladder)trans-118.5149.9164.4-52.5-66.3000109.5W25 W39 G41 D42W25-N51 WeakPolarHBondContact CH2-ND2 3.46Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.19Å; W39-N51 HydrophobicContact CH2-CB 4.16Å; W39-N51 HydrophobicContact CZ2-CB 4.24Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.36Å; D42-N51 PolarHBondContact N-O 3.05Å; D42-N51 PolarHBondContact O-N 3.24Å; D42-N51 VanDerWaalsContact OD1-CB 3.23Å; D42-N51 WeakPolarHBondContact OD1-CB 3.11Å; D42-N51 PolarHBondContact OD1-N 3.37Å; D42-N51 PolarHBondContact OD1-ND2 3.12Å
52Y98Very high96.8Very high55 Ų5556.6 Ų56.622%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-132146.7-179-68-87.7000110.5T50 K57 A60 L62T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; Y52-K57 HydrophobicContact CG-CG 4.36Å; Y52-A60 HydrophobicContact CE1-CB 4.38Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.89Å
53N97.1Very high96.9Very high42 Ų4258.3 Ų58.323%0.22533%0.332CS..  trans-72.5131.8156.5-175.7-28.5000108.6W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.6Å; W39-N53 HydrophobicContact CZ3-CB 3.76Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.49Å; W39-N53 PolarHBondContact O-ND2 2.83Å; I40-N53 WeakPolarHBondContact O-CB 3.18Å; I40-N53 PolarHBondContact O-N 2.88Å; N53-K55 PolarHBondContact O-N 3.25Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.08Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.43Å; N53-K57 PolarHBondContact O-N 2.82Å; N53-K57 VanDerWaalsContact O-N 3.12Å
54E96.2Very high96.9Very high133 Ų13360.3 Ų60.362%0.62134%0.344SS*.THydrogen-bonded Turntrans-53.9-30.7-179-69.3-61.1147.700112.9F56 K57E54-F56 PolarHBondContact O-N 3.23Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 3.15Å; E54-K57 VanDerWaalsContact OE2-CD 3.32Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 3.43Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å
55K94.1Very high96.9Very high152 Ų15259.6 Ų59.666%0.66135%0.345SS*.THydrogen-bonded Turntrans-61.5-28.4175.3-68.3-174.8-178.3-1800114.2E38 N53E38-K55 IonicContact OE2-NZ 3.36Å; N53-K55 PolarHBondContact O-N 3.25Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.08Å
56F95.9Very high96.8Very high10 Ų1063 Ų634%0.04437%0.366CS..THydrogen-bonded Turntrans-112.6-9.2-172.3-63.8-84.1000113.2K30 E38 I40 N53 E54 S58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 3.98Å; I40-F56 HydrophobicContact CG1-CD2 4.06Å; I40-F56 HydrophobicContact CG1-CE1 4Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 4Å; I40-F56 HydrophobicContact CG1-CZ 4.04Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CD2 4.5Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.43Å; E54-F56 PolarHBondContact O-N 3.23Å; F56-S58 PolarHBondContact O-N 2.83Å; F56-S58 VanDerWaalsContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 3.11Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 2.81Å
57K94.6Very high96.8Very high112 Ų11265.9 Ų65.949%0.48738%0.378SS..THydrogen-bonded Turntrans-57.1-31.4-173.9-168.2176.2-171.3175.40114.7Y52 N53 E54Y52-K57 HydrophobicContact CG-CG 4.36Å; N53-K57 PolarHBondContact O-N 2.82Å; N53-K57 VanDerWaalsContact O-N 3.12Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 3.15Å; E54-K57 VanDerWaalsContact OE2-CD 3.32Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 3.43Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å
58S95Very high96.8Very high113 Ų11364 Ų6479%0.7937%0.365SS*.THydrogen-bonded Turntrans-85.5-10.1176.258.10000114F56F56-S58 PolarHBondContact O-N 2.83Å; F56-S58 VanDerWaalsContact O-N 3.15Å
59K95.8Very high96.8Very high38 Ų3864.4 Ų64.417%0.16536%0.361CS..THydrogen-bonded Turntrans-119-33-167.3-162.5170.8-167.4168.20113.7F56 L75 S76 S77 D82F56-K59 PolarHBondContact O-N 3.11Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; K59-S76 WeakPolarHBondContact CE-O 3.34Å; K59-S76 VanDerWaalsContact CG-O 3.24Å; K59-S76 WeakPolarHBondContact CG-O 3.45Å; K59-S76 PolarHBondContact O-N 3.32Å; K59-S76 PolarHBondContact O-OG 2.79Å; K59-S77 WeakPolarHBondContact CE-O 3.14Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.94Å; K59-D82 PolarHBondContact NZ-OD1 2.8Å; K59-D82 IonicContact NZ-OD2 2.53Å; K59-D82 PolarHBondContact NZ-OD2 3.41Å
60A97.8Very high96.9Very high3 Ų361.9 Ų61.93%0.02534%0.344CS..EExtended strand (participates in β ladder)trans-101.9133.2-179.200000110.4I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.38Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 2.81Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.27Å; A60-Q74 CarbonylContact C-O 3.37Å; A60-Q74 WeakPolarHBondContact CA-O 2.96Å; A60-L75 HydrophobicContact CB-CD2 3.84Å
61T98.3Very high96.9Very high71 Ų7159.3 Ų59.344%0.43633%0.328SS..EExtended strand (participates in β ladder)trans-118.2119.2169.3-57.10000108.6T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.21Å; T61-M73 WeakPolarHBondContact O-CA 3.4Å; T61-Q74 PolarHBondContact N-O 2.96Å; T61-Q74 PolarHBondContact O-N 3.23Å
62L98.5Very high96.9Very high9 Ų958 Ų585%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-96.9130.5177.1-52.7-175.2000110.3W28 D42 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; D42-L62 WeakPolarHBondContact O-CD1 3.24Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.23Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; T50-L62 HydrophobicContact CG2-CB 4Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.89Å; L62-Y72 WeakPolarHBondContact CA-O 2.97Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.08Å
63T98.3Very high96.9Very high60 Ų6055.4 Ų55.437%0.36831%0.307SS..EExtended strand (participates in β ladder)trans-138.3165.6177.256.10000110.7T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.21Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 3.15Å
64V97.9Very high96.9Very high44 Ų4457.3 Ų57.327%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-141.4143.7-178.368.80000111.3F21 I43 P45 T66F21-V64 HydrophobicContact CE1-CG2 3.35Å; F21-V64 HydrophobicContact CZ-CG2 3.58Å; I43-V64 HydrophobicContact CD1-CB 3.98Å; I43-V64 HydrophobicContact CD1-CG1 4.14Å; P45-V64 HydrophobicContact CB-CG2 3.7Å; P45-V64 HydrophobicContact CG-CG2 4.08Å; V64-T66 HydrophobicContact CG2-CG2 4.47Å
65D97.4Very high97Very high53 Ų5351 Ų5128%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-119.1104.1167.6175.86.2000108.2S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.79Å; D65-S67 WeakPolarHBondContact OD1-CB 3.35Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 3.05Å; D65-S68 WeakPolarHBondContact CB-OG 3.23Å; D65-S68 PolarHBondContact OD1-N 3.08Å; D65-S68 WeakPolarHBondContact OD2-CB 3.03Å; D65-S68 PolarHBondContact OD2-OG 2.84Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3.35Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66T95.9Very high97.1Very high77 Ų7745.5 Ų45.547%0.47227%0.266SS..THydrogen-bonded Turntrans-71.7-25.7-179.154.30000112.1T22 P45 V64 S68 S69T22-T66 HydrophobicContact CG2-CG2 3.98Å; P45-T66 WeakPolarHBondContact O-CG2 3.37Å; V64-T66 HydrophobicContact CG2-CG2 4.47Å; T66-S68 VanDerWaalsContact C-N 3.35Å; T66-S68 PolarHBondContact O-N 3.31Å; T66-S69 PolarHBondContact O-N 2.86Å
67S95.1Very high97.1Very high107 Ų10748.8 Ų48.875%0.74829%0.29SS*.THydrogen-bonded Turntrans-68-36.6179.375.70000112D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.79Å; D65-S67 WeakPolarHBondContact OD1-CB 3.35Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 3.05Å
68S96.8Very high97.2Very high38 Ų3843.5 Ų43.527%0.26627%0.267SS..THydrogen-bonded Turntrans-98.72.8176.567.80000113.7D65 T66 T70D65-S68 WeakPolarHBondContact CB-OG 3.23Å; D65-S68 PolarHBondContact OD1-N 3.08Å; D65-S68 WeakPolarHBondContact OD2-CB 3.03Å; D65-S68 PolarHBondContact OD2-OG 2.84Å; T66-S68 VanDerWaalsContact C-N 3.35Å; T66-S68 PolarHBondContact O-N 3.31Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 PolarHBondContact O-OG1 2.89Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 2.93Å
69S97.2Very high97.3Very high44 Ų4441 Ų4131%0.30825%0.247SC..THydrogen-bonded Turntrans49.945.2-174.7-62.40000112.9A16 F21 D65 T66A16-S69 WeakPolarHBondContact CB-O 3.38Å; A16-S69 PolarHBondContact N-O 2.82Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-S69 VanDerWaalsContact O-N 3.08Å; T66-S69 PolarHBondContact O-N 2.86Å
70T98.2Very high97.2Very high7 Ų742.9 Ų42.94%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-126126-174-56.10000111.1C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.25Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 3.35Å; D65-T70 PolarHBondContact O-N 2.83Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 PolarHBondContact O-OG1 2.89Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 2.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3Å
71A98.1Very high97Very high0 Ų047.6 Ų47.60%029%0.29CS..EExtended strand (participates in β ladder)trans-92.1149.3167.700000109.5S13 C14 F21 I26 W28 I43S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 HydrophobicContact CB-CB 4.46Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.8Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 3.98Å; I26-A71 HydrophobicContact CB-CB 4.11Å; I26-A71 HydrophobicContact CG1-CB 4.16Å; I26-A71 HydrophobicContact CG2-CB 3.83Å; W28-A71 HydrophobicContact CZ2-CB 4.44Å; I43-A71 HydrophobicContact CG2-CB 4.29Å
72Y98.3Very high96.8Very high50 Ų5044.6 Ų44.620%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-129.9144.4177.9-57.3-88.6000110.8K11 M12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.42Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; M12-Y72 WeakPolarHBondContact O-CA 3.41Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 2.97Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 3.15Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3Å
73M98.2Very high96.8Very high0 Ų045.9 Ų45.90%028%0.281CS..EExtended strand (participates in β ladder)trans-118.8128.6163.7177.8174.372.200108.5K11 M12 W28 I40 A60 T61 L62 L75 Y86K11-M73 WeakPolarHBondContact CA-O 3.5Å; M12-M73 HydrophobicContact CE-CE 3.47Å; M12-M73 VanDerWaalsContact CE-CE 3.47Å; M12-M73 HydrophobicContact CG-CB 3.88Å; M12-M73 HydrophobicContact CG-CE 4.06Å; M12-M73 WeakPolarHBondContact CG-O 3.44Å; M12-M73 PolarHBondContact N-O 2.85Å; M12-M73 PolarHBondContact O-N 2.93Å; M12-M73 HydrophobicContact SD-CB 4.46Å; M12-M73 HydrophobicContact SD-CE 3.18Å; M12-M73 WeakPolarHBondContact SD-CE 3.25Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.22Å; W28-M73 HydrophobicContact CE3-CB 3.97Å; W28-M73 HydrophobicContact CE3-CE 4Å; W28-M73 HydrophobicContact CE3-SD 4.42Å; W28-M73 HydrophobicContact CG-CB 4.07Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.21Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.25Å; I40-M73 HydrophobicContact CB-SD 4.45Å; I40-M73 HydrophobicContact CD1-CE 3.79Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.76Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.27Å; T61-M73 WeakPolarHBondContact O-CA 3.4Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.08Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.14Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.4Å; M73-L75 HydrophobicContact SD-CD2 4.04Å; M73-L75 HydrophobicContact SD-CG 4.37Å; M73-Y86 HydrophobicContact CE-CD1 3.68Å; M73-Y86 HydrophobicContact CE-CE1 4.28Å; M73-Y86 HydrophobicContact CE-CG 4.34Å
74Q98.1Very high96.7Very high82 Ų8243 Ų4338%0.38326%0.264SS..EExtended strand (participates in β ladder)trans-106.2125.3168.5-176.3174.31.700108.9V10 A60 T61V10-Q74 CarbonylContact O-C 3.52Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; A60-Q74 CarbonylContact C-O 3.37Å; A60-Q74 WeakPolarHBondContact CA-O 2.96Å; T61-Q74 PolarHBondContact N-O 2.96Å; T61-Q74 PolarHBondContact O-N 3.23Å
75L97.5Very high96.7Very high1 Ų142.6 Ų42.61%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-103.3129.5169.9-63.4170000108.7S9 V10 M12 K59 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 WeakPolarHBondContact CB-O 3.22Å; V10-L75 HydrophobicContact CG1-CB 3.87Å; V10-L75 HydrophobicContact CG1-CD1 4.2Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 3.45Å; V10-L75 PolarHBondContact O-N 2.03Å; M12-L75 HydrophobicContact CE-CD1 3.81Å; M12-L75 HydrophobicContact CE-CG 4.42Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.84Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.14Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.4Å; M73-L75 HydrophobicContact SD-CD2 4.04Å; M73-L75 HydrophobicContact SD-CG 4.37Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.48Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.48Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å
76S96.9Very high96.8Very high36 Ų3640.2 Ų40.225%0.25225%0.248SC..  trans-104.4160.817859.90000112.1K59 L78K59-S76 WeakPolarHBondContact CE-O 3.34Å; K59-S76 VanDerWaalsContact CG-O 3.24Å; K59-S76 WeakPolarHBondContact CG-O 3.45Å; K59-S76 PolarHBondContact O-N 3.32Å; K59-S76 PolarHBondContact O-OG 2.79Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.99Å
77S95.9Very high96.9Very high79 Ų7938.6 Ų38.655%0.55223%0.234SC*.SBendtrans48.852.6171.5-58.90000113.1A8 K59A8-S77 PolarHBondContact O-N 2.67Å; K59-S77 WeakPolarHBondContact CE-O 3.14Å
78L96.2Very high97Very high1 Ų134.3 Ų34.31%0.00520%0.203CC..  trans-63.9141.8-174.3-69174.6000112.5V4 P6 G7 A8 V10 L75 S76 D82 V109V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.36Å; G7-L78 PolarHBondContact N-O 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 WeakPolarHBondContact O-CG 3.19Å; A8-L78 PolarHBondContact O-N 2.77Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.37Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.99Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.26Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-V109 HydrophobicContact CB-CG1 4.18Å; L78-V109 HydrophobicContact CB-CG2 3.97Å; L78-V109 HydrophobicContact CD1-CG2 4.25Å
79T95.8Very high97Very high60 Ų6032.7 Ų32.737%0.36819%0.193SC..  trans-122.3169.4174.166.60000109.7D81 D82 V109T79-D81 PolarHBondContact O-N 2.85Å; T79-D81 VanDerWaalsContact O-N 3.08Å; T79-D82 PolarHBondContact N-OD2 2.99Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-D82 PolarHBondContact OG1-OD2 3.5Å; T79-V109 WeakPolarHBondContact O-CB 3.33Å; T79-V109 WeakPolarHBondContact O-CG2 3.34Å
80S94.5Very high96.9Very high78 Ų7831.8 Ų31.855%0.54518%0.183SC..G310 helixtrans-50.9-34.4175.7510000112.9D82 S83S80-D82 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.41Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 PolarHBondContact O-OG 2.92Å
81D93.1Very high96.6Very high103 Ų10333.7 Ų33.755%0.55119%0.191SC*.G310 helixtrans-70-10.8-178.5-61.8-11.3000113.6K30 R32 T79 S83K30-D81 WeakPolarHBondContact CE-O 3.28Å; K30-D81 PolarHBondContact NZ-O 2.8Å; R32-D81 PolarHBondContact NE-O 2.75Å; R32-D81 PolarHBondContact NH2-O 2.91Å; T79-D81 PolarHBondContact O-N 2.85Å; T79-D81 VanDerWaalsContact O-N 3.08Å; D81-S83 VanDerWaalsContact C-N 3.34Å
82D95.6Very high96.1Very high7 Ų735 Ų354%0.03720%0.198CC..G310 helixtrans-87.3-4.1172.1-55-50.1000113.5K30 K59 L78 T79 S80 A84 Y86 V109K30-D82 IonicContact NZ-OD1 3.82Å; K30-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.94Å; K59-D82 PolarHBondContact NZ-OD1 2.8Å; K59-D82 IonicContact NZ-OD2 2.53Å; K59-D82 PolarHBondContact NZ-OD2 3.41Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.26Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.99Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-D82 PolarHBondContact OG1-OD2 3.5Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-Y86 WeakPolarHBondContact CB-OH 3.42Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.91Å; D82-V109 HydrophobicContact CB-CG2 4.2Å
83S97.1Very high95.4Very high36 Ų3640.7 Ų40.725%0.25222%0.22SC..  trans-65.1110.2172.7-56.90000109.8S80 D81 V107 V109S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.41Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 PolarHBondContact O-OG 2.92Å; D81-S83 VanDerWaalsContact C-N 3.34Å; S83-V107 CarbonylContact C-O 3.58Å; S83-V107 VanDerWaalsContact CA-O 3.25Å; S83-V107 WeakPolarHBondContact CA-O 3.29Å; S83-V109 PolarHBondContact OG-N 3.04Å
84A97.6Very high95Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-167167.1-170.200000110.7K30 Q31 R32 D82 Y86 V107K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.59Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 4.25Å; D82-A84 PolarHBondContact O-N 3.49Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-V107 PolarHBondContact N-O 3.5Å; A84-V107 PolarHBondContact O-N 2.89Å
85V98.1Very high94.3Very high36 Ų3646 Ų4622%0.21826%0.261CS..EExtended strand (participates in β ladder)trans-89.3128.7162.2-170.60000108.3Q31 Y87 L106Q31-V85 PolarHBondContact N-O 3.08Å; Q31-V85 PolarHBondContact O-N 3.46Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.74Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.41Å; V85-L106 HydrophobicContact CG2-CD1 4.14Å
86Y98.1Very high93.9Very high2 Ų249.4 Ų49.41%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-107.9128.7177.3-66.7-91.9000109.8M12 V29 K30 I40 M73 L75 D82 A84 G104 T105 V107M12-Y86 HydrophobicContact CE-CD1 4.14Å; M12-Y86 HydrophobicContact CE-CD2 4.04Å; M12-Y86 HydrophobicContact CE-CG 3.73Å; M12-Y86 WeakPolarHBondContact SD-CB 3.44Å; M12-Y86 HydrophobicContact SD-CD1 4.43Å; M12-Y86 HydrophobicContact SD-CG 4.01Å; V29-Y86 CarbonylContact O-C 3.44Å; V29-Y86 WeakPolarHBondContact O-CA 3.12Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.92Å; M73-Y86 HydrophobicContact CE-CD1 3.68Å; M73-Y86 HydrophobicContact CE-CE1 4.28Å; M73-Y86 HydrophobicContact CE-CG 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.48Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.48Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; D82-Y86 WeakPolarHBondContact CB-OH 3.42Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.91Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; Y86-G104 CarbonylContact O-C 3.47Å; Y86-G104 WeakPolarHBondContact O-CA 3.41Å; Y86-T105 PolarHBondContact N-O 3.22Å; Y86-T105 PolarHBondContact O-N 3.5Å; Y86-V107 HydrophobicContact CD2-CB 3.99Å; Y86-V107 HydrophobicContact CD2-CG2 3.73Å; Y86-V107 HydrophobicContact CE2-CB 3.82Å; Y86-V107 HydrophobicContact CE2-CG2 4Å
87Y98.1Very high93.3Very high44 Ų4452 Ų5217%0.17330%0.298CS..EExtended strand (participates in β ladder)trans-116.6149.5-179-56-89.7000110.2W28 V29 Q31 V85 W101W28-Y87 WeakPolarHBondContact CA-O 3.1Å; V29-Y87 PolarHBondContact N-O 2.84Å; V29-Y87 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 3.08Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.74Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.41Å; Y87-W101 HydrophobicContact CD1-CE3 4.42Å; Y87-W101 HydrophobicContact CD2-CZ3 4.47Å; Y87-W101 HydrophobicContact CG-CE3 4.06Å; Y87-W101 HydrophobicContact CG-CZ3 4.17Å
88C97.4Very high93.1Very high16 Ų1651.9 Ų51.911%0.10829%0.288CS..EExtended strand (participates in β ladder)trans-102.6149.4156.265.10000109.8C14 I26 T27 W28 G102C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 2.95Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.34Å; I26-C88 HydrophobicContact CG2-CB 4.25Å; T27-C88 CarbonylContact O-C 3.55Å; T27-C88 WeakPolarHBondContact O-CA 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.48Å; W28-C88 HydrophobicContact CZ3-CB 4.06Å; C88-G102 PolarHBondContact O-N 3.33Å
89A97.1Very high92.9Very high5 Ų553.8 Ų53.84%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-143.9165.4177.100000111T27 F98 Y100 W101T27-A89 PolarHBondContact N-O 3.16Å; T27-A89 PolarHBondContact O-N 2.8Å; A89-F98 HydrophobicContact CB-CD1 3.77Å; A89-Y100 CarbonylContact C-O 3.58Å; A89-Y100 WeakPolarHBondContact CA-O 3.42Å; A89-Y100 WeakPolarHBondContact CB-O 2.94Å; A89-W101 HydrophobicContact CB-CD2 3.83Å; A89-W101 HydrophobicContact CB-CE3 3.85Å; A89-W101 HydrophobicContact CB-CG 4.33Å; A89-W101 HydrophobicContact CB-CH2 4.37Å; A89-W101 HydrophobicContact CB-CZ2 4.38Å; A89-W101 HydrophobicContact CB-CZ3 4.12Å
90R95.2Very high92.8Very high25 Ų2556.2 Ų56.29%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-144.4162.9170.566.2170.9-176.593.8-3.8111Y19 W25 I26 F98 A99 Y100Y19-R90 VanDerWaalsContact CE1-NE 3.34Å; Y19-R90 VanDerWaalsContact CZ-CD 3.44Å; W25-R90 WeakPolarHBondContact O-CB 3.21Å; I26-R90 HydrophobicContact CD1-CB 4.41Å; R90-F98 CarbonylContact O-C 3.51Å; R90-A99 PolarHBondContact O-N 3.1Å; R90-Y100 HydrophobicContact CG-CD2 4.08Å; R90-Y100 HydrophobicContact CG-CG 4.4Å; R90-Y100 PolarHBondContact N-O 2.95Å; R90-Y100 VanDerWaalsContact NH1-CD2 3.34Å; R90-Y100 PolarHBondContact O-N 3.32Å; R90-Y100 VanDerWaalsContact O-N 3.15Å
91H91.1Very high92.9Very high46 Ų4657.3 Ų57.321%0.21330%0.299CS..  trans-76.4165168.563.984.4000112Y24 W25 V96Y24-H91 AromaticContact CD1-CE1 3.26Å; Y24-H91 WeakPolarHBondContact CD1-CE1 3.35Å; Y24-H91 AromaticContact CD1-ND1 3.59Å; Y24-H91 AromaticContact CD1-NE2 3.8Å; Y24-H91 AromaticContact CE1-CE1 3.75Å; Y24-H91 AromaticContact CE1-ND1 3.88Å; W25-H91 PolarHBondContact N-NE2 3.43Å; H91-V96 WeakPolarHBondContact CA-O 3.48Å; H91-V96 WeakPolarHBondContact CB-O 3.49Å
92D88.1Confident93Very high29 Ų2953.8 Ų53.816%0.15529%0.287CS..  trans-89.1-169.9170.366.69.5000112.5D94 G95 V96 A99 Y100D92-D94 VanDerWaalsContact C-N 3.31Å; D92-D94 PolarHBondContact OD1-N 2.8Å; D92-D94 VanDerWaalsContact OD1-N 3.08Å; D92-G95 PolarHBondContact O-N 3.27Å; D92-G95 PolarHBondContact OD1-N 2.76Å; D92-V96 PolarHBondContact N-O 3.32Å; D92-V96 WeakPolarHBondContact OD1-CB 3.34Å; D92-V96 PolarHBondContact OD1-N 3Å; D92-V96 WeakPolarHBondContact OD2-CB 3.24Å; D92-V96 WeakPolarHBondContact OD2-CG2 3.47Å; D92-A99 HydrophobicContact CB-CB 3.63Å; D92-Y100 HydrophobicContact CB-CD2 4.44Å; D92-Y100 HydrophobicContact CB-CE2 3.67Å
93Y84.3Confident93Very high169 Ų16962.4 Ų62.466%0.66333%0.327SS*.THydrogen-bonded Turntrans-67.7-29.6-179.9-73.4-87.7000113.1Y24 G95Y24-Y93 WeakPolarHBondContact OH-CD1 3.13Å; Y24-Y93 WeakPolarHBondContact OH-CE1 3.26Å; Y24-Y93 VanDerWaalsContact OH-CZ 3.29Å; Y93-G95 PolarHBondContact O-N 3.02Å
94D88.6Confident92.9Very high149 Ų14962 Ų6280%0.79733%0.328SS*.THydrogen-bonded Turntrans-85.10.3179.2-62.6-45.3000112.2D92 V96D92-D94 VanDerWaalsContact C-N 3.31Å; D92-D94 PolarHBondContact OD1-N 2.8Å; D92-D94 VanDerWaalsContact OD1-N 3.08Å; D94-V96 VanDerWaalsContact C-N 3.35Å; D94-V96 HydrophobicContact CB-CG2 4.38Å
95G83.7Confident92.9Very high43 Ų4364.3 Ų64.344%0.44334%0.342SS..  trans80.814.3179.300000113.5D92 Y93 P97D92-G95 PolarHBondContact O-N 3.27Å; D92-G95 PolarHBondContact OD1-N 2.76Å; Y93-G95 PolarHBondContact O-N 3.02Å; G95-P97 WeakPolarHBondContact O-CD 3.5Å
96V88.6Confident92.9Very high73 Ų7366.4 Ų66.444%0.44235%0.352SS..  trans-64.2114.9175.5-178.20000108.4H91 D92 D94H91-V96 WeakPolarHBondContact CA-O 3.48Å; H91-V96 WeakPolarHBondContact CB-O 3.49Å; D92-V96 PolarHBondContact N-O 3.32Å; D92-V96 WeakPolarHBondContact OD1-CB 3.34Å; D92-V96 PolarHBondContact OD1-N 3Å; D92-V96 WeakPolarHBondContact OD2-CB 3.24Å; D92-V96 WeakPolarHBondContact OD2-CG2 3.47Å; D94-V96 VanDerWaalsContact C-N 3.35Å; D94-V96 HydrophobicContact CB-CG2 4.38Å
97P86.3Confident92.8Very high90 Ų9066.3 Ų66.358%0.58435%0.352SS*.THydrogen-bonded Turntrans-62145.9-179.5-22.534.8000110.9G95 A99G95-P97 WeakPolarHBondContact O-CD 3.5Å; P97-A99 VanDerWaalsContact C-N 3.26Å; P97-A99 PolarHBondContact O-N 3.03Å
98F89.9Confident92.8Very high78 Ų7866.6 Ų66.634%0.34236%0.358SS..THydrogen-bonded Turntrans57.631.9174.3-51.2-78.1000115.1T27 V29 A89 R90 W101T27-F98 HydrophobicContact CG2-CD1 4.43Å; T27-F98 HydrophobicContact CG2-CE1 3.46Å; T27-F98 VanDerWaalsContact CG2-CE1 3.46Å; T27-F98 HydrophobicContact CG2-CZ 3.98Å; V29-F98 HydrophobicContact CG2-CD1 4.29Å; V29-F98 HydrophobicContact CG2-CE1 3.65Å; A89-F98 HydrophobicContact CB-CD1 3.77Å; R90-F98 CarbonylContact O-C 3.51Å; F98-W101 HydrophobicContact CB-CZ2 3.53Å; F98-W101 AromaticContact CD1-CH2 3.73Å; F98-W101 HydrophobicContact CD1-CH2 3.73Å; F98-W101 AromaticContact CD1-CZ2 3.57Å; F98-W101 HydrophobicContact CD1-CZ2 3.57Å; F98-W101 HydrophobicContact CE1-CH2 4.34Å; F98-W101 HydrophobicContact CG-CH2 4.37Å; F98-W101 AromaticContact CG-CZ2 3.8Å; F98-W101 HydrophobicContact CG-CZ2 3.8Å; F98-W101 PolarHBondContact O-NE1 3.08Å
99A92.2Very high92.7Very high41 Ų4166.3 Ų66.334%0.33936%0.356SS..  trans-69.1-32.1177.800000113.1R90 D92 P97R90-A99 PolarHBondContact O-N 3.1Å; D92-A99 HydrophobicContact CB-CB 3.63Å; P97-A99 VanDerWaalsContact C-N 3.26Å; P97-A99 PolarHBondContact O-N 3.03Å
100Y94.3Very high92.6Very high111 Ų11168.6 Ų68.644%0.43537%0.371SS..EExtended strand (participates in β ladder)trans-124.6134.8179.9-57.7-83.6000110.8A89 R90 D92A89-Y100 CarbonylContact C-O 3.58Å; A89-Y100 WeakPolarHBondContact CA-O 3.42Å; A89-Y100 WeakPolarHBondContact CB-O 2.94Å; R90-Y100 HydrophobicContact CG-CD2 4.08Å; R90-Y100 HydrophobicContact CG-CG 4.4Å; R90-Y100 PolarHBondContact N-O 2.95Å; R90-Y100 VanDerWaalsContact NH1-CD2 3.34Å; R90-Y100 PolarHBondContact O-N 3.32Å; R90-Y100 VanDerWaalsContact O-N 3.15Å; D92-Y100 HydrophobicContact CB-CD2 4.44Å; D92-Y100 HydrophobicContact CB-CE2 3.67Å
101W96.1Very high92Very high101 Ų10174 Ų7438%0.38342%0.421SS..EExtended strand (participates in β ladder)trans-124.2143.5-177.2-68.480.2000111.5V29 L37 Y87 A89 F98V29-W101 HydrophobicContact CB-CH2 4.2Å; V29-W101 HydrophobicContact CB-CZ3 3.92Å; V29-W101 HydrophobicContact CG1-CH2 4.16Å; V29-W101 HydrophobicContact CG1-CZ3 4.19Å; V29-W101 HydrophobicContact CG2-CH2 3.87Å; V29-W101 HydrophobicContact CG2-CZ3 3.9Å; L37-W101 HydrophobicContact CD1-CH2 3.84Å; L37-W101 HydrophobicContact CD1-CZ2 4.24Å; Y87-W101 HydrophobicContact CD1-CE3 4.42Å; Y87-W101 HydrophobicContact CD2-CZ3 4.47Å; Y87-W101 HydrophobicContact CG-CE3 4.06Å; Y87-W101 HydrophobicContact CG-CZ3 4.17Å; A89-W101 HydrophobicContact CB-CD2 3.83Å; A89-W101 HydrophobicContact CB-CE3 3.85Å; A89-W101 HydrophobicContact CB-CG 4.33Å; A89-W101 HydrophobicContact CB-CH2 4.37Å; A89-W101 HydrophobicContact CB-CZ2 4.38Å; A89-W101 HydrophobicContact CB-CZ3 4.12Å; F98-W101 HydrophobicContact CB-CZ2 3.53Å; F98-W101 AromaticContact CD1-CH2 3.73Å; F98-W101 HydrophobicContact CD1-CH2 3.73Å; F98-W101 AromaticContact CD1-CZ2 3.57Å; F98-W101 HydrophobicContact CD1-CZ2 3.57Å; F98-W101 HydrophobicContact CE1-CH2 4.34Å; F98-W101 HydrophobicContact CG-CH2 4.37Å; F98-W101 AromaticContact CG-CZ2 3.8Å; F98-W101 HydrophobicContact CG-CZ2 3.8Å; F98-W101 PolarHBondContact O-NE1 3.08Å
102G95.7Very high92.1Very high28 Ų2875.4 Ų75.429%0.28943%0.432SS..  trans-71.8163.416100000111.3C88 G104C88-G102 PolarHBondContact O-N 3.33Å; G102-G104 PolarHBondContact O-N 2.6Å; G102-G104 VanDerWaalsContact O-N 3.11Å
103Q95.2Very high92.3Very high188 Ų18877.8 Ų77.888%0.87945%0.446SS*.  trans-64.6-15.8-180-65.3-62.5-46.400113.8
104G96.1Very high92.7Very high28 Ų2872.7 Ų72.729%0.28943%0.434SS..  trans83.6152-176.800000112.9Y86 G102Y86-G104 CarbonylContact O-C 3.47Å; Y86-G104 WeakPolarHBondContact O-CA 3.41Å; G102-G104 PolarHBondContact O-N 2.6Å; G102-G104 VanDerWaalsContact O-N 3.11Å
105T96.8Very high93Very high48 Ų4868.2 Ų68.229%0.29441%0.413SS..EExtended strand (participates in β ladder)trans-122.6116.3176.4-63.20000108.5Y86 V107Y86-T105 PolarHBondContact N-O 3.22Å; Y86-T105 PolarHBondContact O-N 3.5Å; T105-V107 HydrophobicContact CG2-CG2 4.44Å; T105-V107 PolarHBondContact O-N 3.15Å
106L97.4Very high93.5Very high80 Ų8069.8 Ų69.842%0.41941%0.411SS..EExtended strand (participates in β ladder)trans-68.5122.6169176.764.5000109.4A1 E2 V85A1-L106 CarbonylContact C-O 3.59Å; A1-L106 WeakPolarHBondContact CA-O 3.32Å; A1-L106 HydrophobicContact CB-CB 3.98Å; A1-L106 HydrophobicContact CB-CD2 4.39Å; A1-L106 HydrophobicContact CB-CG 4.47Å; E2-L106 PolarHBondContact N-O 3.36Å; V85-L106 HydrophobicContact CG2-CD1 4.14Å
107V97.2Very high93.9Very high0 Ų069.6 Ų69.60%041%0.409CS..EExtended strand (participates in β ladder)trans-111128.8166.9178.10000107.5E2 V4 V10 M12 S83 A84 Y86 T105 V109E2-V107 CarbonylContact O-C 3.57Å; E2-V107 WeakPolarHBondContact O-CA 3.37Å; V4-V107 HydrophobicContact CG2-CG1 4.14Å; V10-V107 HydrophobicContact CG1-CG1 4.49Å; M12-V107 HydrophobicContact CE-CG2 4.21Å; S83-V107 CarbonylContact C-O 3.58Å; S83-V107 VanDerWaalsContact CA-O 3.25Å; S83-V107 WeakPolarHBondContact CA-O 3.29Å; A84-V107 PolarHBondContact N-O 3.5Å; A84-V107 PolarHBondContact O-N 2.89Å; Y86-V107 HydrophobicContact CD2-CB 3.99Å; Y86-V107 HydrophobicContact CD2-CG2 3.73Å; Y86-V107 HydrophobicContact CE2-CB 3.82Å; Y86-V107 HydrophobicContact CE2-CG2 4Å; T105-V107 HydrophobicContact CG2-CG2 4.44Å; T105-V107 PolarHBondContact O-N 3.15Å; V107-V109 HydrophobicContact CG1-CG2 4.35Å
108T97.3Very high94.4Very high51 Ų5168.1 Ų68.131%0.31340%0.396SS..EExtended strand (participates in β ladder)trans-118.4124.6176.6-58.70000108.7E2 L3 V4E2-T108 PolarHBondContact O-N 3.39Å; L3-T108 WeakPolarHBondContact CA-O 3.36Å; L3-T108 HydrophobicContact CD1-CG2 3.73Å; V4-T108 PolarHBondContact N-O 2.6Å
109V96.5Very high94.8Very high9 Ų967.4 Ų67.46%0.05540%0.4CS..EExtended strand (participates in β ladder)trans-108107.5178.1-169.60000108.9V4 P6 L78 T79 D82 S83 V107V4-V109 HydrophobicContact CG2-CB 4.4Å; V4-V109 HydrophobicContact CG2-CG1 4.47Å; V4-V109 HydrophobicContact CG2-CG2 3.83Å; V4-V109 WeakPolarHBondContact O-CA 3.5Å; P6-V109 HydrophobicContact CB-CG1 4.45Å; P6-V109 HydrophobicContact CG-CG1 4.2Å; L78-V109 HydrophobicContact CB-CG1 4.18Å; L78-V109 HydrophobicContact CB-CG2 3.97Å; L78-V109 HydrophobicContact CD1-CG2 4.25Å; T79-V109 WeakPolarHBondContact O-CB 3.33Å; T79-V109 WeakPolarHBondContact O-CG2 3.34Å; D82-V109 HydrophobicContact CB-CG2 4.2Å; S83-V109 PolarHBondContact OG-N 3.04Å; V107-V109 HydrophobicContact CG1-CG2 4.35Å
110S94.2Very high95Very high53 Ų5369.6 Ų69.637%0.37141%0.405SS..  trans-143.3152.718068.20000111.7L3 V4 P6L3-S110 WeakPolarHBondContact CD1-OG 3.38Å; V4-S110 PolarHBondContact O-N 2.99Å; V4-S110 VanDerWaalsContact O-N 3.07Å; P6-S110 WeakPolarHBondContact CD-O 3.46Å
111A83.1Confident95.1Very high138 Ų13865.8 Ų65.8100%1.14140%0.403SS*.  trans-70.40176.500000112.3

Retrieved 111 of 111 residues in 28.5 ms (Link to these results)

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