X5J549_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J549, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 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
1A82.1Confident94.9Very high110 Ų11077.2 Ų77.291%0.90946%0.463SS*.  0139000000107.5S108A1-S108 CarbonylContact C-O 3.57Å; A1-S108 WeakPolarHBondContact CA-O 3.3Å
2E90.4Very high95.2Very high91 Ų9171.3 Ų71.343%0.42543%0.428SS..EExtended strand (participates in β ladder)trans-117.4122.6-174-69.1-70161.100109.1V10 S108 V109 T110E2-V10 HydrophobicContact CB-CG2 4.21Å; E2-V10 HydrophobicContact CG-CG2 3.94Å; E2-S108 PolarHBondContact N-O 3.43Å; E2-V109 HydrophobicContact CB-CG2 4.29Å; E2-V109 CarbonylContact O-C 3.55Å; E2-V109 WeakPolarHBondContact O-CA 3.14Å; E2-T110 PolarHBondContact O-N 3.45Å
3L95.4Very high95.3Very high124 Ų12471.8 Ų71.865%0.64944%0.437SS*.EExtended strand (participates in β ladder)trans-104.5118.2172.3-17965.7000108.5T110 S112L3-T110 WeakPolarHBondContact CA-O 3.05Å; L3-T110 HydrophobicContact CD1-CG2 3.85Å; L3-S112 WeakPolarHBondContact CD1-OG 3.5Å
4V96.3Very high95.5Very high22 Ų2267.9 Ų67.913%0.13341%0.413CS..EExtended strand (participates in β ladder)trans-132.9152-172.8-61.40000111.5A8 L78 V109 T110 V111 S112V4-A8 HydrophobicContact CB-CB 4.26Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-V109 HydrophobicContact CG2-CG1 4.23Å; V4-T110 PolarHBondContact N-O 3.07Å; V4-V111 HydrophobicContact CG2-CB 4.39Å; V4-V111 HydrophobicContact CG2-CG1 4.44Å; V4-V111 HydrophobicContact CG2-CG2 3.83Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.21Å; V4-S112 PolarHBondContact O-N 2.62Å
5K96.5Very high95.6Very high146 Ų14674 Ų7464%0.63543%0.432SS*.  trans-79.5152175.9-66.7-175.1177.9-175.90111G7 A8K5-G7 PolarHBondContact O-N 3.3Å; K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3.1Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6P97.4Very high95.5Very high74 Ų7470.1 Ų70.148%0.48141%0.411SS..THydrogen-bonded Turntrans-52.1140169.9-25.634.2000112.1A8 L78 V111P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.07Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; P6-V111 HydrophobicContact CB-CG1 4.44Å; P6-V111 HydrophobicContact CG-CG1 4.2Å
7G96.3Very high95.3Very high52 Ų5272.4 Ų72.454%0.53643%0.431SS..THydrogen-bonded Turntrans84.3-14.4-176.300000114.9K5 L78K5-G7 PolarHBondContact O-N 3.3Å; G7-L78 PolarHBondContact N-O 3.37Å
8A96.9Very high95.1Very high35 Ų3573 Ų7329%0.28946%0.455SS..  trans-67.1168.4176.100000112.2V4 K5 P6 R77 L78V4-A8 HydrophobicContact CB-CB 4.26Å; K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3.1Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.07Å; A8-R77 PolarHBondContact O-N 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.3Å; A8-L78 WeakPolarHBondContact O-CG 2.97Å; A8-L78 PolarHBondContact O-N 3.14Å
9S97.2Very high94.9Very high64 Ų6471.9 Ų71.945%0.44844%0.442SS..  trans-120.9146.4170.9-54.20000109.2L75 S76S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 VanDerWaalsContact CB-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 3.27Å; S9-S76 WeakPolarHBondContact OG-CA 3.12Å
10V97.4Very high94.8Very high11 Ų1172.5 Ų72.57%0.06745%0.445CS..EExtended strand (participates in β ladder)trans-126.8144.9176.6740000109.7E2 L12 Q74 L75 L78 V109E2-V10 HydrophobicContact CB-CG2 4.21Å; E2-V10 HydrophobicContact CG-CG2 3.94Å; V10-L12 HydrophobicContact CG1-CD2 4.39Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.1Å; V10-Q74 CarbonylContact O-C 3.49Å; V10-Q74 WeakPolarHBondContact O-CA 3.39Å; V10-L75 HydrophobicContact CG1-CB 4.12Å; V10-L75 HydrophobicContact CG1-CD1 4.1Å; V10-L75 PolarHBondContact N-O 3.09Å; V10-L75 PolarHBondContact O-N 3.28Å; V10-L78 HydrophobicContact CB-CD1 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.83Å; V10-V109 HydrophobicContact CG1-CG1 4.35Å; V10-V109 HydrophobicContact CG1-CG2 4.42Å
11K97.9Very high94.8Very high120 Ų12069.3 Ų69.352%0.52243%0.426SS..EExtended strand (participates in β ladder)trans-114.2115.2174-173.8178.1179.7-1770108.9Y72 M73K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; K11-M73 WeakPolarHBondContact CA-O 3.44Å
12L98.1Very high95.4Very high7 Ų766.2 Ų66.24%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-95.8148.7175.1-54.7-176.2000109.6V10 W28 Y72 M73 Y86 T107 V109V10-L12 HydrophobicContact CG1-CD2 4.39Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.1Å; L12-W28 HydrophobicContact CB-CH2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.47Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.36Å; L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 HydrophobicContact CG-CE 4.5Å; L12-M73 PolarHBondContact N-O 2.77Å; L12-M73 PolarHBondContact O-N 3.15Å; L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 4.36Å; L12-Y86 HydrophobicContact CD1-CD2 4.15Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; L12-T107 HydrophobicContact CD2-CG2 4.02Å; L12-V109 HydrophobicContact CD1-CG2 4.19Å; L12-V109 HydrophobicContact CD2-CG2 4.01Å
13S97.6Very high95.5Very high78 Ų7865.2 Ų65.255%0.54539%0.393SS..EExtended strand (participates in β ladder)trans-123.1148.7177.761.90000111.4A71S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å
14C97.3Very high95.4Very high16 Ų1661.9 Ų61.911%0.10837%0.372CS..EExtended strand (participates in β ladder)trans-134.9103.8174.4-179.20000108.3W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; C14-A71 HydrophobicContact CB-CB 4.46Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.8Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 2.97Å; C14-C88 WeakPolarHBondContact SG-CB 3.39Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.02Å
15K96.8Very high95.3Very high160 Ų16061.5 Ų61.570%0.69637%0.369SS*.EExtended strand (participates in β ladder)trans-91.8124.7-178.6-176.9170.3-176.5177.10110.4T70K15-T70 HydrophobicContact CB-CG2 4.43Å
16A94.4Very high95.2Very high11 Ų1154.6 Ų54.69%0.09134%0.339CS..  trans-73.1147.1174.500000111.6Y19 F21 S69A16-Y19 HydrophobicContact CB-CD1 4.31Å; A16-Y19 HydrophobicContact CB-CE1 3.51Å; A16-Y19 HydrophobicContact CB-CE2 4.06Å; A16-Y19 VanDerWaalsContact CB-OH 3.29Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.07Å; A16-S69 WeakPolarHBondContact CB-O 3.45Å; A16-S69 PolarHBondContact N-O 3.31Å
17S92.8Very high95.2Very high109 Ų10951.1 Ų51.176%0.76232%0.317SS*.  trans-150.7134.9174.9-172.60000110.2Y19S17-Y19 VanDerWaalsContact O-CD1 3.3Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å
18G91.4Very high95.3Very high84 Ų8448.9 Ų48.987%0.86629%0.292SS*.SBendtrans77.819.8176.500000115.7
19Y90.3Very high95.3Very high53 Ų5347.5 Ų47.521%0.20828%0.28CS..SBendtrans-157.1163.117466.5-79.6000112.2A16 S17 F21 Y24 R90A16-Y19 HydrophobicContact CB-CD1 4.31Å; A16-Y19 HydrophobicContact CB-CE1 3.51Å; A16-Y19 HydrophobicContact CB-CE2 4.06Å; A16-Y19 VanDerWaalsContact CB-OH 3.29Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; S17-Y19 VanDerWaalsContact O-CD1 3.3Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; Y19-F21 HydrophobicContact CE2-CD2 4.33Å; Y19-F21 PolarHBondContact O-N 2.76Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 AromaticContact CD2-CD2 3.35Å; Y19-Y24 HydrophobicContact CD2-CD2 3.35Å; Y19-Y24 AromaticContact CD2-CE2 3.62Å; Y19-Y24 HydrophobicContact CD2-CE2 3.62Å; Y19-Y24 HydrophobicContact CD2-CG 4.05Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.39Å; Y19-Y24 AromaticContact CE2-CG 4Å; Y19-Y24 HydrophobicContact CE2-CG 4Å; Y19-Y24 HydrophobicContact CG-CD2 4.42Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; Y19-R90 VanDerWaalsContact CE1-NH1 3.33Å
20T93.9Very high95.3Very high82 Ų8245.5 Ų45.550%0.50326%0.263SS..  trans-71.8103171.3-53.60000109.7T22 N23 Y24T20-T22 PolarHBondContact O-N 2.99Å; T20-N23 PolarHBondContact O-N 2.92Å; T20-Y24 WeakPolarHBondContact O-CD2 3.27Å
21F94.3Very high95.3Very high6 Ų648.8 Ų48.83%0.02628%0.277CS..G310 helixtrans-53.4-38.9-174.3-179.2-125.4000113.8A16 Y19 N23 Y24 I26 P45 T64 A71A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.07Å; Y19-F21 HydrophobicContact CE2-CD2 4.33Å; Y19-F21 PolarHBondContact O-N 2.76Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-N23 PolarHBondContact O-N 2.89Å; F21-Y24 PolarHBondContact O-N 3.14Å; F21-I26 HydrophobicContact CD2-CD1 4.22Å; F21-I26 HydrophobicContact CD2-CG1 4.45Å; F21-I26 HydrophobicContact CE2-CD1 3.77Å; F21-I26 HydrophobicContact CE2-CG1 3.62Å; F21-I26 HydrophobicContact CZ-CG1 4.19Å; F21-P45 HydrophobicContact CD1-CB 3.65Å; F21-P45 HydrophobicContact CD1-CG 3.9Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.54Å; F21-P45 HydrophobicContact CE2-CG 3.84Å; F21-P45 HydrophobicContact CG-CB 4.34Å; F21-P45 HydrophobicContact CG-CG 4.21Å; F21-P45 HydrophobicContact CZ-CB 3.96Å; F21-P45 HydrophobicContact CZ-CG 3.51Å; F21-T64 HydrophobicContact CE1-CG2 4.28Å; F21-T64 HydrophobicContact CZ-CG2 4.11Å; F21-A71 HydrophobicContact CE2-CB 4.42Å; F21-A71 HydrophobicContact CZ-CB 4.03Å
22T94.8Very high95.2Very high45 Ų4545.8 Ų45.828%0.27626%0.263SS..G310 helixtrans-74.8-1.9-178.4520000114.9T20 F44 P45 E66T20-T22 PolarHBondContact O-N 2.99Å; T22-F44 WeakPolarHBondContact O-CE2 3.22Å; T22-F44 WeakPolarHBondContact O-CZ 3.44Å; T22-P45 HydrophobicContact CG2-CB 4.39Å; T22-E66 HydrophobicContact CG2-CG 4.26Å
23N92.5Very high94.7Very high71 Ų7150.3 Ų50.338%0.3829%0.293SS..G310 helixtrans-94.80.5174.8-69.3-4.4000113.2T20 F21 Y92 Y93T20-N23 PolarHBondContact O-N 2.92Å; F21-N23 PolarHBondContact O-N 2.89Å; N23-Y92 HydrophobicContact CB-CE2 4.37Å; N23-Y93 WeakPolarHBondContact O-CB 3.16Å; N23-Y93 PolarHBondContact O-N 2.96Å
24Y92.9Very high94.1Very high53 Ų5356.5 Ų56.521%0.20831%0.313CS..EExtended strand (participates in β ladder)trans-134.7138.8-172.4-65.5-101.1000111.6Y19 T20 F21 P45 R90 E91 Y92Y19-Y24 AromaticContact CD2-CD2 3.35Å; Y19-Y24 HydrophobicContact CD2-CD2 3.35Å; Y19-Y24 AromaticContact CD2-CE2 3.62Å; Y19-Y24 HydrophobicContact CD2-CE2 3.62Å; Y19-Y24 HydrophobicContact CD2-CG 4.05Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.39Å; Y19-Y24 AromaticContact CE2-CG 4Å; Y19-Y24 HydrophobicContact CE2-CG 4Å; Y19-Y24 HydrophobicContact CG-CD2 4.42Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.27Å; F21-Y24 PolarHBondContact O-N 3.14Å; Y24-P45 WeakPolarHBondContact O-CD 3.36Å; Y24-R90 HydrophobicContact CD1-CB 4.17Å; Y24-R90 HydrophobicContact CD1-CG 3.95Å; Y24-R90 HydrophobicContact CE1-CG 4.44Å; Y24-R90 HydrophobicContact CG-CB 4.46Å; Y24-E91 CarbonylContact C-O 3.58Å; Y24-E91 WeakPolarHBondContact CA-O 3.36Å; Y24-E91 WeakPolarHBondContact CB-O 3.31Å; Y24-E91 WeakPolarHBondContact CD1-O 3.31Å; Y24-Y92 HydrophobicContact CD1-CD2 4.38Å; Y24-Y92 AromaticContact CE1-CD2 3.86Å; Y24-Y92 HydrophobicContact CE1-CD2 3.86Å; Y24-Y92 HydrophobicContact CE1-CG 4.35Å; Y24-Y92 HydrophobicContact CE2-CD2 4.22Å; Y24-Y92 AromaticContact CZ-CD2 3.76Å
25D93.9Very high93.8Very high14 Ų1459.7 Ų59.78%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-74.8138.3165.9-65.7-34.7000109.7W42 F44 R90 E91D25-W42 HydrophobicContact CB-CE3 4.33Å; D25-F44 VanDerWaalsContact OD1-CA 3.24Å; D25-F44 WeakPolarHBondContact OD1-CA 3.47Å; D25-F44 WeakPolarHBondContact OD1-CB 3.5Å; D25-F44 WeakPolarHBondContact OD1-CD2 3.41Å; D25-F44 WeakPolarHBondContact OD1-CG 3.34Å; D25-R90 WeakPolarHBondContact O-CA 2.93Å; D25-E91 PolarHBondContact N-O 3.45Å; D25-E91 PolarHBondContact O-N 2.86Å
26I96.4Very high93.5Very high1 Ų154.6 Ų54.61%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-102.2107.8174.6-50.3-59.3000108.8F21 W42 I43 P45 A71 C88 R90F21-I26 HydrophobicContact CD2-CD1 4.22Å; F21-I26 HydrophobicContact CD2-CG1 4.45Å; F21-I26 HydrophobicContact CE2-CD1 3.77Å; F21-I26 HydrophobicContact CE2-CG1 3.62Å; F21-I26 HydrophobicContact CZ-CG1 4.19Å; I26-W42 VanDerWaalsContact O-CA 3.24Å; I26-W42 WeakPolarHBondContact O-CA 3.47Å; I26-I43 HydrophobicContact CB-CG2 4.28Å; I26-I43 PolarHBondContact N-O 3.24Å; I26-I43 PolarHBondContact O-N 2.9Å; I26-P45 HydrophobicContact CG1-CG 4.13Å; I26-A71 HydrophobicContact CB-CB 3.96Å; I26-A71 HydrophobicContact CG1-CB 4.01Å; I26-A71 HydrophobicContact CG2-CB 3.74Å; I26-C88 HydrophobicContact CG2-CB 4.11Å; I26-R90 HydrophobicContact CD1-CB 4.2Å
27N96.8Very high93.5Very high2 Ų258.7 Ų58.71%0.01134%0.339CS..EExtended strand (participates in β ladder)trans-84.8140.2176.7-74.2-87.2000110.3W39 G41 W42 C88 A89 E91 M100N27-W39 PolarHBondContact OD1-NE1 3.04Å; N27-G41 WeakPolarHBondContact CA-O 3.49Å; N27-W42 WeakPolarHBondContact OD1-CB 3.01Å; N27-C88 CarbonylContact O-C 3.53Å; N27-C88 WeakPolarHBondContact O-CA 3.44Å; N27-A89 HydrophobicContact CB-CB 4.46Å; N27-A89 PolarHBondContact N-O 2.97Å; N27-A89 PolarHBondContact O-N 2.89Å; N27-E91 PolarHBondContact ND2-OE2 3.16Å; N27-M100 HydrophobicContact CB-CE 3.76Å; N27-M100 HydrophobicContact CB-SD 3.85Å; N27-M100 WeakPolarHBondContact OD1-CE 3.32Å
28W98.1Very high93.7Very high5 Ų554.9 Ų54.92%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-113134.2172.2-70.489.8000110L12 C14 I40 G41 L62 A71 M73 F87 C88L12-W28 HydrophobicContact CB-CH2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.47Å; C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.42Å; W28-I40 WeakPolarHBondContact O-CB 3.41Å; W28-I40 PolarHBondContact O-N 2.78Å; W28-G41 PolarHBondContact N-O 3.14Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; W28-M73 HydrophobicContact CB-SD 3.95Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.3Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.76Å; W28-M73 HydrophobicContact CE3-SD 4.17Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.25Å; W28-F87 WeakPolarHBondContact CA-O 3.07Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.33Å
29V97.8Very high93.9Very high5 Ų554.2 Ų54.23%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-139.8141.3-174.3-176.10000108.5L37 E38 Y86 F87 M100 W103V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.79Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-E38 WeakPolarHBondContact CG1-O 3.08Å; V29-Y86 CarbonylContact O-C 3.39Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-F87 PolarHBondContact N-O 2.96Å; V29-F87 PolarHBondContact O-N 2.76Å; V29-M100 HydrophobicContact CG2-SD 4.47Å; V29-W103 HydrophobicContact CB-CH2 4.03Å; V29-W103 HydrophobicContact CB-CZ3 3.77Å; V29-W103 HydrophobicContact CG1-CH2 4.01Å; V29-W103 HydrophobicContact CG1-CZ3 3.97Å; V29-W103 HydrophobicContact CG2-CH2 3.71Å; V29-W103 HydrophobicContact CG2-CZ3 3.87Å
30R97.1Very high94.3Very high22 Ų2251.7 Ų51.78%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-113.6150.9169.970.7172.6-172.9-170.1-6.1111.7E38 I40 F56 D82 A84 V85 Y86R30-E38 HydrophobicContact CG-CB 3.87Å; R30-E38 IonicContact CZ-OE2 2.79Å; R30-E38 PolarHBondContact N-O 2.81Å; R30-E38 IonicContact NE-OE1 3.83Å; R30-E38 IonicContact NE-OE2 3.42Å; R30-E38 PolarHBondContact NE-OE2 2.81Å; R30-E38 VanDerWaalsContact NE-OE2 3.15Å; R30-E38 IonicContact NH2-OE1 3.29Å; R30-E38 IonicContact NH2-OE2 3.95Å; R30-E38 PolarHBondContact NH2-OE2 2.65Å; R30-E38 PolarHBondContact O-N 2.96Å; R30-I40 HydrophobicContact CB-CD1 4.1Å; R30-I40 HydrophobicContact CG-CD1 4.4Å; R30-F56 HydrophobicContact CG-CE1 4.5Å; R30-F56 HydrophobicContact CG-CZ 4.21Å; R30-F56 VanDerWaalsContact CZ-CZ 3.46Å; R30-F56 VanDerWaalsContact NE-CZ 3.31Å; R30-D82 IonicContact NH1-OD1 3.81Å; R30-A84 HydrophobicContact CB-CB 4.04Å; R30-V85 CarbonylContact C-O 3.52Å; R30-V85 WeakPolarHBondContact CA-O 3.4Å; R30-Y86 HydrophobicContact CB-CD1 3.65Å; R30-Y86 HydrophobicContact CB-CE1 3.59Å; R30-Y86 HydrophobicContact CB-CG 4.35Å; R30-Y86 HydrophobicContact CG-CE1 4.43Å
31Q97.3Very high94.4Very high80 Ų8047.8 Ų47.837%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-125118.1170.2-167.7179.325.600109.1L37 A84 V85 F87Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.28Å; Q31-A84 WeakPolarHBondContact O-CA 3.16Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-V85 PolarHBondContact N-O 2.78Å; Q31-V85 PolarHBondContact O-N 2.8Å; Q31-F87 HydrophobicContact CB-CE2 3.82Å
32R94.3Very high94.6Very high57 Ų5749.6 Ų49.622%0.21525%0.254CS..  trans-86151.8171.3-69.1-172.4-78.3173.9-3.7109.8E34 Q35 E38 A84R32-E34 PolarHBondContact O-N 3.12Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.13Å; R32-Q35 PolarHBondContact O-N 2.89Å; R32-Q35 VanDerWaalsContact O-N 3.07Å; R32-E38 IonicContact CZ-OE1 2.76Å; R32-E38 VanDerWaalsContact CZ-OE1 3.29Å; R32-E38 IonicContact NE-OE1 3.54Å; R32-E38 PolarHBondContact NE-OE1 3.07Å; R32-E38 IonicContact NH2-OE1 2.99Å; R32-E38 PolarHBondContact NH2-OE1 2.9Å; R32-E38 IonicContact NH2-OE2 3.9Å; R32-A84 HydrophobicContact CG-CB 4.06Å
33P87.5Confident94.7Very high103 Ų10347.7 Ų47.767%0.66924%0.242SC*.THydrogen-bonded Turntrans-50.4132.7168.8-24.233.9000109.8Q35P33-Q35 PolarHBondContact O-N 2.89Å; P33-Q35 VanDerWaalsContact O-N 3.1Å
34E86.8Confident94.8Very high207 Ų20745.2 Ų45.297%0.96723%0.228SC*.THydrogen-bonded Turntrans65.37.9178.7-50.6177.2175.300115.7R32R32-E34 PolarHBondContact O-N 3.12Å
35Q88.9Confident94.9Very high83 Ų8342.7 Ų42.739%0.38822%0.218SC..SBendtrans-120.8158.6176.5-55.2-171.218.700112.1R32 P33 E38R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.13Å; R32-Q35 PolarHBondContact O-N 2.89Å; R32-Q35 VanDerWaalsContact O-N 3.07Å; P33-Q35 PolarHBondContact O-N 2.89Å; P33-Q35 VanDerWaalsContact O-N 3.1Å; Q35-E38 PolarHBondContact OE1-OE1 3.4Å
36G91.1Very high94.8Very high54 Ų5443.8 Ų43.856%0.55723%0.233SC*.  trans-68.5179.1174.500000113.1
37L95Very high94.7Very high97 Ų9748.5 Ų48.551%0.50826%0.258SS..EExtended strand (participates in β ladder)trans-69.8129.8172.8-67.6169.6000110.4V29 Q31 F87 W103V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.79Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.28Å; L37-F87 HydrophobicContact CD2-CD2 4.42Å; L37-F87 HydrophobicContact CD2-CE2 4.48Å; L37-W103 HydrophobicContact CD1-CH2 3.98Å; L37-W103 HydrophobicContact CD1-CZ3 4.38Å; L37-W103 HydrophobicContact CD2-CZ3 4.36Å
38E96.4Very high94.5Very high28 Ų2850.2 Ų50.213%0.13128%0.276CS..EExtended strand (participates in β ladder)trans-112.3114.1174.3-68.6179.6-136.800109.5V29 R30 R32 Q35 F56V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-E38 WeakPolarHBondContact CG1-O 3.08Å; R30-E38 HydrophobicContact CG-CB 3.87Å; R30-E38 IonicContact CZ-OE2 2.79Å; R30-E38 PolarHBondContact N-O 2.81Å; R30-E38 IonicContact NE-OE1 3.83Å; R30-E38 IonicContact NE-OE2 3.42Å; R30-E38 PolarHBondContact NE-OE2 2.81Å; R30-E38 VanDerWaalsContact NE-OE2 3.15Å; R30-E38 IonicContact NH2-OE1 3.29Å; R30-E38 IonicContact NH2-OE2 3.95Å; R30-E38 PolarHBondContact NH2-OE2 2.65Å; R30-E38 PolarHBondContact O-N 2.96Å; R32-E38 IonicContact CZ-OE1 2.76Å; R32-E38 VanDerWaalsContact CZ-OE1 3.29Å; R32-E38 IonicContact NE-OE1 3.54Å; R32-E38 PolarHBondContact NE-OE1 3.07Å; R32-E38 IonicContact NH2-OE1 2.99Å; R32-E38 PolarHBondContact NH2-OE1 2.9Å; R32-E38 IonicContact NH2-OE2 3.9Å; Q35-E38 PolarHBondContact OE1-OE1 3.4Å; E38-F56 HydrophobicContact CB-CZ 4.41Å
39W96.6Very high94.3Very high70 Ų7054 Ų5427%0.26530%0.296SS..EExtended strand (participates in β ladder)trans-71.4128.5175.7-17978.8000111N27 W42 K51 N53N27-W39 PolarHBondContact OD1-NE1 3.04Å; W39-W42 HydrophobicContact CZ2-CB 4.31Å; W39-W42 AromaticContact CZ2-CD1 3.42Å; W39-W42 VanDerWaalsContact CZ2-CD1 3.42Å; W39-W42 HydrophobicContact CZ2-CG 4.1Å; W39-K51 HydrophobicContact CH2-CB 4.24Å; W39-K51 HydrophobicContact CH2-CD 4.19Å; W39-K51 HydrophobicContact CH2-CG 4.03Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.85Å; W39-N53 VanDerWaalsContact O-CB 3.27Å; W39-N53 WeakPolarHBondContact O-CB 3.21Å; W39-N53 PolarHBondContact O-ND2 2.97Å
40I97.9Very high94.2Very high0 Ų056.1 Ų56.10%031%0.31CS..EExtended strand (participates in β ladder)trans-94.1-46.8-176.9-66.1167.4000110.8W28 R30 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.42Å; W28-I40 WeakPolarHBondContact O-CB 3.41Å; W28-I40 PolarHBondContact O-N 2.78Å; R30-I40 HydrophobicContact CB-CD1 4.1Å; R30-I40 HydrophobicContact CG-CD1 4.4Å; I40-N53 PolarHBondContact O-N 2.83Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CD1-CE1 4.46Å; I40-F56 HydrophobicContact CG1-CD1 3.96Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 3.84Å; I40-F56 HydrophobicContact CG1-CE2 3.99Å; I40-F56 HydrophobicContact CG1-CG 4.08Å; I40-F56 HydrophobicContact CG1-CZ 3.84Å; I40-F56 HydrophobicContact CG2-CB 3.83Å; I40-F56 HydrophobicContact CG2-CD1 4.19Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; I40-A60 HydrophobicContact CG2-CB 3.82Å; I40-M73 HydrophobicContact CD1-CE 4.12Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.74Å
41G97.2Very high94.2Very high0 Ų060.9 Ų60.90%033%0.331CS..EExtended strand (participates in β ladder)trans167.3173.1-171.200000111.9N27 W28 K51N27-G41 WeakPolarHBondContact CA-O 3.49Å; W28-G41 PolarHBondContact N-O 3.14Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.4Å
42W96.6Very high94.2Very high45 Ų4559.8 Ų59.817%0.1732%0.324CS..EExtended strand (participates in β ladder)trans-133.8157169.462.1-115.2000111.4D25 I26 N27 W39 F44 N49 T50 K51D25-W42 HydrophobicContact CB-CE3 4.33Å; I26-W42 VanDerWaalsContact O-CA 3.24Å; I26-W42 WeakPolarHBondContact O-CA 3.47Å; N27-W42 WeakPolarHBondContact OD1-CB 3.01Å; W39-W42 HydrophobicContact CZ2-CB 4.31Å; W39-W42 AromaticContact CZ2-CD1 3.42Å; W39-W42 VanDerWaalsContact CZ2-CD1 3.42Å; W39-W42 HydrophobicContact CZ2-CG 4.1Å; W42-F44 HydrophobicContact CE3-CB 4.4Å; W42-F44 HydrophobicContact CZ3-CB 3.86Å; W42-N49 HydrophobicContact CH2-CB 4.37Å; W42-N49 HydrophobicContact CZ3-CB 4.21Å; W42-N49 VanDerWaalsContact CZ3-O 3.32Å; W42-N49 WeakPolarHBondContact CZ3-O 3.46Å; W42-T50 VanDerWaalsContact O-CA 3.29Å; W42-T50 WeakPolarHBondContact O-CA 3.39Å; W42-K51 HydrophobicContact CD2-CB 4.07Å; W42-K51 VanDerWaalsContact CE2-CB 3.49Å; W42-K51 HydrophobicContact CG-CB 4.36Å; W42-K51 HydrophobicContact CZ2-CB 3.8Å; W42-K51 HydrophobicContact CZ2-CD 4.48Å; W42-K51 PolarHBondContact N-O 3.45Å; W42-K51 PolarHBondContact O-N 2.88Å
43I96.9Very high94.3Very high5 Ų559.2 Ų59.23%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-128.6132.3169.6-176.9158.2000109.6I26 P45 N49 T50 L62 T64 A71I26-I43 HydrophobicContact CB-CG2 4.28Å; I26-I43 PolarHBondContact N-O 3.24Å; I26-I43 PolarHBondContact O-N 2.9Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; I43-N49 CarbonylContact C-O 3.58Å; I43-N49 WeakPolarHBondContact CA-O 3.13Å; I43-T50 HydrophobicContact CB-CG2 3.82Å; I43-T50 HydrophobicContact CD1-CG2 3.68Å; I43-T50 HydrophobicContact CG1-CG2 3.65Å; I43-L62 HydrophobicContact CB-CB 4.03Å; I43-L62 HydrophobicContact CB-CD1 4.42Å; I43-L62 HydrophobicContact CD1-CB 4.26Å; I43-L62 HydrophobicContact CG2-CB 4.24Å; I43-T64 HydrophobicContact CB-CG2 4.46Å; I43-T64 HydrophobicContact CD1-CG2 3.77Å; I43-T64 HydrophobicContact CG1-CG2 3.83Å; I43-T64 HydrophobicContact CG2-CG2 3.81Å; I43-A71 HydrophobicContact CG2-CB 4.44Å
44F95.8Very high94.8Very high18 Ų1860.6 Ų60.68%0.07932%0.323CS..  trans-89.8116.1171-172.1-141.8000109T22 D25 W42 G46 D47 G48 N49 Y93T22-F44 WeakPolarHBondContact O-CE2 3.22Å; T22-F44 WeakPolarHBondContact O-CZ 3.44Å; D25-F44 VanDerWaalsContact OD1-CA 3.24Å; D25-F44 WeakPolarHBondContact OD1-CA 3.47Å; D25-F44 WeakPolarHBondContact OD1-CB 3.5Å; D25-F44 WeakPolarHBondContact OD1-CD2 3.41Å; D25-F44 WeakPolarHBondContact OD1-CG 3.34Å; W42-F44 HydrophobicContact CE3-CB 4.4Å; W42-F44 HydrophobicContact CZ3-CB 3.86Å; F44-G46 PolarHBondContact O-N 2.82Å; F44-D47 HydrophobicContact CD1-CB 4.43Å; F44-D47 VanDerWaalsContact CD1-OD1 3.27Å; F44-D47 WeakPolarHBondContact CD1-OD1 3.48Å; F44-G48 WeakPolarHBondContact O-CA 3.3Å; F44-G48 PolarHBondContact O-N 3.37Å; F44-N49 PolarHBondContact N-O 3.4Å; F44-Y93 AromaticContact CD1-CD2 3.99Å; F44-Y93 HydrophobicContact CD1-CD2 3.99Å; F44-Y93 AromaticContact CD1-CE2 3.82Å; F44-Y93 HydrophobicContact CD1-CE2 3.82Å; F44-Y93 AromaticContact CD2-CD2 3.84Å; F44-Y93 HydrophobicContact CD2-CD2 3.84Å; F44-Y93 HydrophobicContact CD2-CE2 4.48Å; F44-Y93 HydrophobicContact CD2-CG 4.27Å; F44-Y93 HydrophobicContact CE1-CD1 4.3Å; F44-Y93 AromaticContact CE1-CD2 3.9Å; F44-Y93 HydrophobicContact CE1-CD2 3.9Å; F44-Y93 HydrophobicContact CE1-CE1 4.26Å; F44-Y93 AromaticContact CE1-CE2 3.83Å; F44-Y93 HydrophobicContact CE1-CE2 3.83Å; F44-Y93 HydrophobicContact CE1-CG 4.12Å; F44-Y93 HydrophobicContact CE2-CD1 4.42Å; F44-Y93 AromaticContact CE2-CD2 3.72Å; F44-Y93 HydrophobicContact CE2-CD2 3.72Å; F44-Y93 HydrophobicContact CE2-CE2 4.46Å; F44-Y93 AromaticContact CE2-CG 3.68Å; F44-Y93 HydrophobicContact CE2-CG 3.68Å; F44-Y93 AromaticContact CG-CD2 4Å; F44-Y93 HydrophobicContact CG-CD2 4Å; F44-Y93 HydrophobicContact CG-CE2 4.19Å; F44-Y93 AromaticContact CZ-CD1 3.92Å; F44-Y93 HydrophobicContact CZ-CD1 3.92Å; F44-Y93 AromaticContact CZ-CD2 3.76Å; F44-Y93 HydrophobicContact CZ-CD2 3.76Å; F44-Y93 HydrophobicContact CZ-CE1 4.32Å; F44-Y93 HydrophobicContact CZ-CE2 4.17Å; F44-Y93 AromaticContact CZ-CG 3.61Å; F44-Y93 HydrophobicContact CZ-CG 3.61Å
45P95.6Very high95.1Very high0 Ų058.5 Ų58.50%031%0.31CS..THydrogen-bonded Turntrans-66.8-21.6178.7-19.132.4000113.8F21 T22 Y24 I26 I43 T64F21-P45 HydrophobicContact CD1-CB 3.65Å; F21-P45 HydrophobicContact CD1-CG 3.9Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.54Å; F21-P45 HydrophobicContact CE2-CG 3.84Å; F21-P45 HydrophobicContact CG-CB 4.34Å; F21-P45 HydrophobicContact CG-CG 4.21Å; F21-P45 HydrophobicContact CZ-CB 3.96Å; F21-P45 HydrophobicContact CZ-CG 3.51Å; T22-P45 HydrophobicContact CG2-CB 4.39Å; Y24-P45 WeakPolarHBondContact O-CD 3.36Å; I26-P45 HydrophobicContact CG1-CG 4.13Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-T64 HydrophobicContact CB-CG2 3.99Å; P45-T64 HydrophobicContact CG-CG2 3.94Å
46G91.8Very high95.5Very high38 Ų3854.8 Ų54.839%0.39229%0.293SS..THydrogen-bonded Turntrans-71.3-27.9-175.200000114.9F44F44-G46 PolarHBondContact O-N 2.82Å
47D92.3Very high95.6Very high100 Ų10058.2 Ų58.254%0.53529%0.292SS..THydrogen-bonded Turntrans-137.9-1.517866.77.6000113.9F44 N49F44-D47 HydrophobicContact CD1-CB 4.43Å; F44-D47 VanDerWaalsContact CD1-OD1 3.27Å; F44-D47 WeakPolarHBondContact CD1-OD1 3.48Å; D47-N49 VanDerWaalsContact C-N 3.27Å; D47-N49 PolarHBondContact O-N 3.13Å; D47-N49 WeakPolarHBondContact OD1-CB 2.96Å; D47-N49 PolarHBondContact OD1-N 2.82Å
48G92.7Very high95.5Very high37 Ų3757.2 Ų57.238%0.38131%0.305SS..  trans75.99-178.100000114.5F44F44-G48 WeakPolarHBondContact O-CA 3.3Å; F44-G48 PolarHBondContact O-N 3.37Å
49N94.8Very high95.5Very high85 Ų8557.8 Ų57.846%0.45531%0.308SS..  trans-62.5143.3177.8-169.411.6000110.6W42 I43 F44 D47W42-N49 HydrophobicContact CH2-CB 4.37Å; W42-N49 HydrophobicContact CZ3-CB 4.21Å; W42-N49 VanDerWaalsContact CZ3-O 3.32Å; W42-N49 WeakPolarHBondContact CZ3-O 3.46Å; I43-N49 CarbonylContact C-O 3.58Å; I43-N49 WeakPolarHBondContact CA-O 3.13Å; F44-N49 PolarHBondContact N-O 3.4Å; D47-N49 VanDerWaalsContact C-N 3.27Å; D47-N49 PolarHBondContact O-N 3.13Å; D47-N49 WeakPolarHBondContact OD1-CB 2.96Å; D47-N49 PolarHBondContact OD1-N 2.82Å
50T96.4Very high95.6Very high50 Ų5054.6 Ų54.631%0.30730%0.296SS..EExtended strand (participates in β ladder)trans-135.6146.2-177.554.80000111.6W42 I43 L62W42-T50 VanDerWaalsContact O-CA 3.29Å; W42-T50 WeakPolarHBondContact O-CA 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.82Å; I43-T50 HydrophobicContact CD1-CG2 3.68Å; I43-T50 HydrophobicContact CG1-CG2 3.65Å; T50-L62 HydrophobicContact CG2-CB 4.28Å
51K96.3Very high95.6Very high122 Ų12257.6 Ų57.653%0.5331%0.314SS..EExtended strand (participates in β ladder)trans-129.8139.4168.2-167.1-179.8179.7177.90109.2W39 G41 W42W39-K51 HydrophobicContact CH2-CB 4.24Å; W39-K51 HydrophobicContact CH2-CD 4.19Å; W39-K51 HydrophobicContact CH2-CG 4.03Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.4Å; W42-K51 HydrophobicContact CD2-CB 4.07Å; W42-K51 VanDerWaalsContact CE2-CB 3.49Å; W42-K51 HydrophobicContact CG-CB 4.36Å; W42-K51 HydrophobicContact CZ2-CB 3.8Å; W42-K51 HydrophobicContact CZ2-CD 4.48Å; W42-K51 PolarHBondContact N-O 3.45Å; W42-K51 PolarHBondContact O-N 2.88Å
52Y97.7Very high95.7Very high56 Ų5658 Ų5822%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-117.9149.4178.2-64.5-93.3000110.2A60 L62Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.41Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.8Å
53N96.9Very high95.7Very high46 Ų4658.8 Ų58.825%0.24633%0.326CS..  trans-72133.3155178.9-21.5000108.3W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.85Å; W39-N53 VanDerWaalsContact O-CB 3.27Å; W39-N53 WeakPolarHBondContact O-CB 3.21Å; W39-N53 PolarHBondContact O-ND2 2.97Å; I40-N53 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact O-N 2.92Å; N53-K55 PolarHBondContact OD1-N 2.84Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 3.96Å; N53-F56 PolarHBondContact O-N 3.12Å; N53-K57 PolarHBondContact O-N 3.06Å
54E96.2Very high95.8Very high132 Ų13260.4 Ų60.462%0.61734%0.336SS*.G310 helixtrans-55.2-29.4-176.1-68.9-62.1142.400112.9F56 K57E54-F56 PolarHBondContact O-N 3.48Å; E54-K57 PolarHBondContact O-N 2.94Å; E54-K57 IonicContact OE1-NZ 3.18Å; E54-K57 PolarHBondContact OE1-NZ 2.77Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.15Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å
55K94.3Very high95.8Very high162 Ų16262.1 Ų62.170%0.70435%0.347SS*.G310 helixtrans-61.1-27.6175.1-69.2-175.4179.7-179.70114.2N53N53-K55 PolarHBondContact O-N 2.92Å; N53-K55 PolarHBondContact OD1-N 2.84Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56F96.1Very high95.7Very high5 Ų567.6 Ų67.62%0.02237%0.372CS..G310 helixtrans-109.2-2.7-174.5-60.9-86.1000113.1R30 E38 I40 N53 E54 G58 K59 A60R30-F56 HydrophobicContact CG-CE1 4.5Å; R30-F56 HydrophobicContact CG-CZ 4.21Å; R30-F56 VanDerWaalsContact CZ-CZ 3.46Å; R30-F56 VanDerWaalsContact NE-CZ 3.31Å; E38-F56 HydrophobicContact CB-CZ 4.41Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CD1-CE1 4.46Å; I40-F56 HydrophobicContact CG1-CD1 3.96Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 3.84Å; I40-F56 HydrophobicContact CG1-CE2 3.99Å; I40-F56 HydrophobicContact CG1-CG 4.08Å; I40-F56 HydrophobicContact CG1-CZ 3.84Å; I40-F56 HydrophobicContact CG2-CB 3.83Å; I40-F56 HydrophobicContact CG2-CD1 4.19Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; N53-F56 HydrophobicContact CB-CD2 3.96Å; N53-F56 PolarHBondContact O-N 3.12Å; E54-F56 PolarHBondContact O-N 3.48Å; F56-G58 PolarHBondContact O-N 2.79Å; F56-K59 WeakPolarHBondContact O-CA 3.01Å; F56-K59 WeakPolarHBondContact O-CB 3.19Å; F56-K59 PolarHBondContact O-N 3.45Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 2.88Å
57K94.4Very high95.7Very high126 Ų12671.1 Ų71.155%0.54839%0.391SS..BIsolated β-bridgetrans-61.4125.1176.7-161.9174.2-170.11710109.5N53 E54 K59N53-K57 PolarHBondContact O-N 3.06Å; E54-K57 PolarHBondContact O-N 2.94Å; E54-K57 IonicContact OE1-NZ 3.18Å; E54-K57 PolarHBondContact OE1-NZ 2.77Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.15Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å; K57-K59 PolarHBondContact O-N 2.85Å
58G93.4Very high95.9Very high76 Ų7668.1 Ų68.178%0.78438%0.377SS*.THydrogen-bonded Turntrans79.8-10.7-174.200000115.2F56F56-G58 PolarHBondContact O-N 2.79Å
59K96.2Very high96.1Very high41 Ų4168.4 Ų68.418%0.17837%0.374CS..THydrogen-bonded Turntrans-92.5-46.5171.1-172.377.5177.7-160.60111.3F56 K57 S76 R77 D82F56-K59 WeakPolarHBondContact O-CA 3.01Å; F56-K59 WeakPolarHBondContact O-CB 3.19Å; F56-K59 PolarHBondContact O-N 3.45Å; K57-K59 PolarHBondContact O-N 2.85Å; K59-S76 WeakPolarHBondContact CD-O 3.29Å; K59-S76 WeakPolarHBondContact CE-O 3.3Å; K59-S76 PolarHBondContact NZ-O 2.97Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-R77 PolarHBondContact NZ-O 2.86Å; K59-D82 WeakPolarHBondContact CE-OD1 3.15Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 2.65Å; K59-D82 IonicContact NZ-OD2 2.95Å; K59-D82 PolarHBondContact NZ-OD2 2.91Å
60A97.9Very high96.3Very high3 Ų364.7 Ų64.73%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-103.1140.1179.800000110.8I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.82Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.41Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.29Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.98Å
61T98.3Very high96.3Very high63 Ų6362.3 Ų62.339%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-122121.4168.3-57.10000108.2T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.31Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.85Å
62L98.4Very high96.4Very high9 Ų958.9 Ų58.95%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-98.7133.2178.5-52-175.7000110.1W28 I43 T50 Y52 Y72 M73W28-L62 HydrophobicContact CG-CD2 4.04Å; I43-L62 HydrophobicContact CB-CB 4.03Å; I43-L62 HydrophobicContact CB-CD1 4.42Å; I43-L62 HydrophobicContact CD1-CB 4.26Å; I43-L62 HydrophobicContact CG2-CB 4.24Å; T50-L62 HydrophobicContact CG2-CB 4.28Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.8Å; L62-Y72 WeakPolarHBondContact CA-O 3.28Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.18Å
63T98Very high96.5Very high61 Ų6156.2 Ų56.237%0.37431%0.313SS..EExtended strand (participates in β ladder)trans-140.6164.1174.8640000111.1T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.31Å; T63-A71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 3.01Å; T63-Y72 PolarHBondContact O-N 2.03Å
64T97.4Very high96.5Very high38 Ų3858.1 Ų58.123%0.23332%0.321CS..EExtended strand (participates in β ladder)trans-131.5153.7176.5490000110.3F21 I43 P45 T70 A71F21-T64 HydrophobicContact CE1-CG2 4.28Å; F21-T64 HydrophobicContact CZ-CG2 4.11Å; I43-T64 HydrophobicContact CB-CG2 4.46Å; I43-T64 HydrophobicContact CD1-CG2 3.77Å; I43-T64 HydrophobicContact CG1-CG2 3.83Å; I43-T64 HydrophobicContact CG2-CG2 3.81Å; P45-T64 HydrophobicContact CB-CG2 3.99Å; P45-T64 HydrophobicContact CG-CG2 3.94Å; T64-T70 CarbonylContact C-O 3.47Å; T64-T70 WeakPolarHBondContact CA-O 3.19Å; T64-A71 HydrophobicContact CG2-CB 4.19Å
65D96.3Very high96.6Very high55 Ų5551.9 Ų51.929%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-127103.5165.5172.99000107.3S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.35Å; D65-S67 WeakPolarHBondContact OD1-CB 3.18Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 3.32Å; D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact O-N 3.25Å; D65-S68 PolarHBondContact OD1-N 3.05Å; D65-S68 WeakPolarHBondContact OD2-CB 3.17Å; D65-S68 PolarHBondContact OD2-OG 3.29Å; D65-S69 WeakPolarHBondContact O-CA 3.01Å; D65-S69 PolarHBondContact O-N 3.41Å; D65-T70 PolarHBondContact N-O 3.18Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66E93.2Very high96.8Very high114 Ų11445.4 Ų45.453%0.53327%0.267SS..THydrogen-bonded Turntrans-63.8-36.2-178.7-68.6175.5-133.400111.9T22 S68 S69T22-E66 HydrophobicContact CG2-CG 4.26Å; E66-S68 VanDerWaalsContact C-N 3.28Å; E66-S68 PolarHBondContact O-N 2.95Å; E66-S69 PolarHBondContact O-N 3.37Å; E66-S69 PolarHBondContact O-OG 2.72Å
67S93.2Very high96.8Very high112 Ų11254.9 Ų54.978%0.78330%0.302SS*.THydrogen-bonded Turntrans-63.1-36.6-176.875.60000112.1D65D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.35Å; D65-S67 WeakPolarHBondContact OD1-CB 3.18Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 3.32Å
68S96.3Very high96.9Very high37 Ų3748.9 Ų48.926%0.25928%0.276SS..THydrogen-bonded Turntrans-98.21.9175.368.50000113.3D65 E66 T70D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact O-N 3.25Å; D65-S68 PolarHBondContact OD1-N 3.05Å; D65-S68 WeakPolarHBondContact OD2-CB 3.17Å; D65-S68 PolarHBondContact OD2-OG 3.29Å; E66-S68 VanDerWaalsContact C-N 3.28Å; E66-S68 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-OG1 3.3Å; S68-T70 WeakPolarHBondContact OG-CB 3.36Å; S68-T70 PolarHBondContact OG-OG1 3.01Å
69S96.8Very high97Very high44 Ų4448.1 Ų48.131%0.30826%0.256SS..THydrogen-bonded Turntrans48.346-174.9-62.10000112.4A16 D65 E66A16-S69 WeakPolarHBondContact CB-O 3.45Å; A16-S69 PolarHBondContact N-O 3.31Å; D65-S69 WeakPolarHBondContact O-CA 3.01Å; D65-S69 PolarHBondContact O-N 3.41Å; E66-S69 PolarHBondContact O-N 3.37Å; E66-S69 PolarHBondContact O-OG 2.72Å
70T98Very high97Very high7 Ų750.2 Ų50.24%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-124.9128.1-173.7-57.80000110.9C14 K15 T64 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.29Å; K15-T70 HydrophobicContact CB-CG2 4.43Å; T64-T70 CarbonylContact C-O 3.47Å; T64-T70 WeakPolarHBondContact CA-O 3.19Å; D65-T70 PolarHBondContact N-O 3.18Å; D65-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-OG1 3.3Å; S68-T70 WeakPolarHBondContact OG-CB 3.36Å; S68-T70 PolarHBondContact OG-OG1 3.01Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.24Å
71A97.9Very high96.8Very high0 Ų056.5 Ų56.50%031%0.305CS..EExtended strand (participates in β ladder)trans-92.5149.6167.400000110.1S13 C14 F21 I26 W28 I43 T63 T64S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 HydrophobicContact CB-CB 4.46Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.8Å; F21-A71 HydrophobicContact CE2-CB 4.42Å; F21-A71 HydrophobicContact CZ-CB 4.03Å; I26-A71 HydrophobicContact CB-CB 3.96Å; I26-A71 HydrophobicContact CG1-CB 4.01Å; I26-A71 HydrophobicContact CG2-CB 3.74Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; I43-A71 HydrophobicContact CG2-CB 4.44Å; T63-A71 CarbonylContact O-C 3.59Å; T64-A71 HydrophobicContact CG2-CB 4.19Å
72Y98.3Very high96.6Very high49 Ų4954 Ų5419%0.19229%0.289CS..EExtended strand (participates in β ladder)trans-130.1147177.8-56.4-85.4000111.1K11 L12 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.36Å; L62-Y72 WeakPolarHBondContact CA-O 3.28Å; T63-Y72 PolarHBondContact N-O 3.01Å; T63-Y72 PolarHBondContact O-N 2.03Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.24Å
73M98.4Very high96.6Very high0 Ų055 Ų550%030%0.298CS..EExtended strand (participates in β ladder)trans-124.9120.9166.3177.5179.567.100108.8K11 L12 W28 I40 A60 T61 L62 L75 Y86K11-M73 WeakPolarHBondContact CA-O 3.44Å; L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 HydrophobicContact CG-CE 4.5Å; L12-M73 PolarHBondContact N-O 2.77Å; L12-M73 PolarHBondContact O-N 3.15Å; W28-M73 HydrophobicContact CB-SD 3.95Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.3Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.76Å; W28-M73 HydrophobicContact CE3-SD 4.17Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.25Å; I40-M73 HydrophobicContact CD1-CE 4.12Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.29Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.18Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.06Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 3.95Å; M73-L75 HydrophobicContact SD-CG 4.28Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 4.21Å
74Q98.3Very high96.5Very high87 Ų8752.4 Ų52.441%0.40728%0.282SS..EExtended strand (participates in β ladder)trans-97.7119.9169.6-177.2173.3-2.600109.5V10 A60 T61V10-Q74 CarbonylContact O-C 3.49Å; V10-Q74 WeakPolarHBondContact O-CA 3.39Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.85Å
75L97.8Very high96.6Very high0 Ų052.8 Ų52.80%028%0.284CS..EExtended strand (participates in β ladder)trans-99.6129.5172-62.7164.4000109S9 V10 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 VanDerWaalsContact CB-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 3.27Å; V10-L75 HydrophobicContact CG1-CB 4.12Å; V10-L75 HydrophobicContact CG1-CD1 4.1Å; V10-L75 PolarHBondContact N-O 3.09Å; V10-L75 PolarHBondContact O-N 3.28Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.06Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 3.95Å; M73-L75 HydrophobicContact SD-CG 4.28Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CB-CG 4.46Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.02Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.43Å; L75-Y86 HydrophobicContact CD2-CE1 4.4Å
76S97.3Very high96.7Very high27 Ų2750.3 Ų50.319%0.18927%0.271CS..  trans-109.4149.5-173.7-520000111.9S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.12Å; K59-S76 WeakPolarHBondContact CD-O 3.29Å; K59-S76 WeakPolarHBondContact CE-O 3.3Å; K59-S76 PolarHBondContact NZ-O 2.97Å; K59-S76 PolarHBondContact O-N 2.85Å; S76-L78 PolarHBondContact O-N 3.32Å
77R96.3Very high96.9Very high203 Ų20346.3 Ų46.377%0.76625%0.252SS*.SBendtrans52.351171.7-55.4177.9-175.91750.9112.7A8 K59A8-R77 PolarHBondContact O-N 2.95Å; K59-R77 PolarHBondContact NZ-O 2.86Å
78L96.9Very high97.1Very high0 Ų041.8 Ų41.80%022%0.22CC..  trans-60.3141.8-172.6-70.4172.3000112.7V4 P6 G7 A8 V10 L75 S76 D82 V109 V111V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; G7-L78 PolarHBondContact N-O 3.37Å; A8-L78 WeakPolarHBondContact O-CB 3.3Å; A8-L78 WeakPolarHBondContact O-CG 2.97Å; A8-L78 PolarHBondContact O-N 3.14Å; V10-L78 HydrophobicContact CB-CD1 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.83Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CB-CG 4.46Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 PolarHBondContact O-N 3.32Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V109 HydrophobicContact CD1-CG1 4.4Å; L78-V111 HydrophobicContact CB-CG1 4.18Å; L78-V111 HydrophobicContact CB-CG2 3.92Å; L78-V111 HydrophobicContact CD1-CG2 4.29Å
79T96.4Very high97.1Very high60 Ų6040.2 Ų40.237%0.36821%0.209SC..  trans-118.9169.8172.665.50000109.7E81 D82 V111T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.02Å; T79-V111 VanDerWaalsContact O-CB 3.31Å; T79-V111 WeakPolarHBondContact O-CB 3.34Å; T79-V111 WeakPolarHBondContact O-CG2 3.42Å
80S95.1Very high96.9Very high85 Ų8539.9 Ų39.959%0.59420%0.201SC*.G310 helixtrans-54.1-32.6176.249.60000112.8D82 S83S80-D82 PolarHBondContact O-N 3.39Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.04Å
81E93.5Very high96.5Very high135 Ų13540.6 Ų40.663%0.63120%0.204SC*.G310 helixtrans-67-17.3178-60-176.8171.500114.2T79 S83T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.14Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82D95.6Very high96.1Very high10 Ų1046.6 Ų46.65%0.05323%0.227CC..G310 helixtrans-83.9-1.9174.4-60.9-55.4000112.6R30 K59 L78 T79 S80 A84 Y86 V111R30-D82 IonicContact NH1-OD1 3.81Å; K59-D82 WeakPolarHBondContact CE-OD1 3.15Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 2.65Å; K59-D82 IonicContact NZ-OD2 2.95Å; K59-D82 PolarHBondContact NZ-OD2 2.91Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.02Å; S80-D82 PolarHBondContact O-N 3.39Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.85Å; D82-V111 HydrophobicContact CB-CG2 4.37Å
83S97Very high95.1Very high32 Ų3249.8 Ų49.822%0.22424%0.24CC..  trans-65.9113.9174.9-57.90000110.3S80 E81 V109 V111S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.04Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-V109 CarbonylContact C-O 3.6Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.27Å; S83-V111 PolarHBondContact OG-N 2.6Å
84A97.4Very high93.9Very high6 Ų652.8 Ų52.85%0.0527%0.271CS..EExtended strand (participates in β ladder)trans-163.9167.4-172.900000111.1R30 Q31 R32 D82 Y86 V109R30-A84 HydrophobicContact CB-CB 4.04Å; Q31-A84 WeakPolarHBondContact O-CA 3.16Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; R32-A84 HydrophobicContact CG-CB 4.06Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.26Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-V109 PolarHBondContact N-O 3.32Å; A84-V109 PolarHBondContact O-N 2.86Å
85V98.1Very high92.5Very high45 Ų4550.4 Ų50.427%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-89.4126.7160.7-171.70000108.4R30 Q31 F87R30-V85 CarbonylContact C-O 3.52Å; R30-V85 WeakPolarHBondContact CA-O 3.4Å; Q31-V85 PolarHBondContact N-O 2.78Å; Q31-V85 PolarHBondContact O-N 2.8Å; V85-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CZ 3.89Å; V85-F87 HydrophobicContact CG1-CD2 4.29Å; V85-F87 HydrophobicContact CG1-CE1 3.86Å; V85-F87 HydrophobicContact CG1-CE2 3.56Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86Y98.2Very high90.9Very high3 Ų360.6 Ų60.61%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-106.4126-179.6-71.3-90.7000110.5L12 V29 R30 I40 M73 L75 D82 A84 G106 T107 V109L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 4.36Å; L12-Y86 HydrophobicContact CD1-CD2 4.15Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; V29-Y86 CarbonylContact O-C 3.39Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; R30-Y86 HydrophobicContact CB-CD1 3.65Å; R30-Y86 HydrophobicContact CB-CE1 3.59Å; R30-Y86 HydrophobicContact CB-CG 4.35Å; R30-Y86 HydrophobicContact CG-CE1 4.43Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.74Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.02Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.43Å; L75-Y86 HydrophobicContact CD2-CE1 4.4Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.85Å; A84-Y86 HydrophobicContact CB-CD2 4.26Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G106 CarbonylContact O-C 3.47Å; Y86-G106 WeakPolarHBondContact O-CA 3.48Å; Y86-T107 PolarHBondContact N-O 2.87Å; Y86-T107 PolarHBondContact O-N 2.87Å; Y86-V109 HydrophobicContact CD2-CB 3.94Å; Y86-V109 HydrophobicContact CD2-CG2 3.66Å; Y86-V109 HydrophobicContact CE2-CB 3.8Å; Y86-V109 HydrophobicContact CE2-CG2 3.94Å
87F98Very high89.3Confident31 Ų3168.2 Ų68.214%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-113.7149-178.7-56.6-89.3000110.2W28 V29 Q31 L37 V85 W103W28-F87 WeakPolarHBondContact CA-O 3.07Å; V29-F87 PolarHBondContact N-O 2.96Å; V29-F87 PolarHBondContact O-N 2.76Å; Q31-F87 HydrophobicContact CB-CE2 3.82Å; L37-F87 HydrophobicContact CD2-CD2 4.42Å; L37-F87 HydrophobicContact CD2-CE2 4.48Å; V85-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CZ 3.89Å; V85-F87 HydrophobicContact CG1-CD2 4.29Å; V85-F87 HydrophobicContact CG1-CE1 3.86Å; V85-F87 HydrophobicContact CG1-CE2 3.56Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W103 HydrophobicContact CB-CE3 3.7Å; F87-W103 HydrophobicContact CB-CZ3 3.9Å; F87-W103 HydrophobicContact CG-CE3 4.16Å; F87-W103 HydrophobicContact CG-CZ3 4.38Å
88C97.3Very high87.8Confident17 Ų1768 Ų6812%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-105.4148.7157.961.90000109.6C14 I26 N27 W28 W103 G104C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 2.97Å; C14-C88 WeakPolarHBondContact SG-CB 3.39Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.02Å; I26-C88 HydrophobicContact CG2-CB 4.11Å; N27-C88 CarbonylContact O-C 3.53Å; N27-C88 WeakPolarHBondContact O-CA 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.33Å; C88-W103 CarbonylContact O-C 3.51Å; C88-W103 WeakPolarHBondContact O-CA 3.48Å; C88-G104 PolarHBondContact O-N 2.81Å
89A96.1Very high86.8Confident3 Ų369.8 Ų69.83%0.02535%0.345CS..EExtended strand (participates in β ladder)trans-139.3151.3172.800000110N27 M100 Y102 W103N27-A89 HydrophobicContact CB-CB 4.46Å; N27-A89 PolarHBondContact N-O 2.97Å; N27-A89 PolarHBondContact O-N 2.89Å; A89-M100 HydrophobicContact CB-CB 3.96Å; A89-M100 HydrophobicContact CB-CG 4.28Å; A89-M100 HydrophobicContact CB-SD 4.03Å; A89-Y102 CarbonylContact C-O 3.39Å; A89-Y102 WeakPolarHBondContact CA-O 3.43Å; A89-Y102 WeakPolarHBondContact CB-O 3.49Å; A89-W103 HydrophobicContact CB-CD2 3.64Å; A89-W103 HydrophobicContact CB-CE3 4.02Å; A89-W103 HydrophobicContact CB-CG 3.96Å; A89-W103 HydrophobicContact CB-CH2 4.45Å; A89-W103 HydrophobicContact CB-CZ2 4.1Å; A89-W103 HydrophobicContact CB-CZ3 4.42Å
90R93.1Very high86.2Confident38 Ų3869.4 Ų69.414%0.14334%0.34CS..EExtended strand (participates in β ladder)trans-105.6146.6177.977.6-174.7174.9179.9-3.2111.4Y19 Y24 D25 I26 Y102Y19-R90 VanDerWaalsContact CE1-NH1 3.33Å; Y24-R90 HydrophobicContact CD1-CB 4.17Å; Y24-R90 HydrophobicContact CD1-CG 3.95Å; Y24-R90 HydrophobicContact CE1-CG 4.44Å; Y24-R90 HydrophobicContact CG-CB 4.46Å; D25-R90 WeakPolarHBondContact O-CA 2.93Å; I26-R90 HydrophobicContact CD1-CB 4.2Å; R90-Y102 PolarHBondContact N-O 3.45Å; R90-Y102 VanDerWaalsContact NH2-CG 3.28Å; R90-Y102 VanDerWaalsContact NH2-CZ 3.3Å
91E90.6Very high85.6Confident22 Ų2271.1 Ų71.110%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-133.2134.6174.3179.6178.7-17500108.8Y24 D25 N27 Y93 Y98Y24-E91 CarbonylContact C-O 3.58Å; Y24-E91 WeakPolarHBondContact CA-O 3.36Å; Y24-E91 WeakPolarHBondContact CB-O 3.31Å; Y24-E91 WeakPolarHBondContact CD1-O 3.31Å; D25-E91 PolarHBondContact N-O 3.45Å; D25-E91 PolarHBondContact O-N 2.86Å; N27-E91 PolarHBondContact ND2-OE2 3.16Å; E91-Y93 PolarHBondContact O-N 2.81Å; E91-Y98 VanDerWaalsContact OE1-CA 3.3Å; E91-Y98 WeakPolarHBondContact OE1-CA 3.43Å; E91-Y98 WeakPolarHBondContact OE1-CD1 3.24Å
92Y88.3Confident85.5Confident125 Ų12571.5 Ų71.549%0.4934%0.339SS..EExtended strand (participates in β ladder)trans-71125.1-178.6-178.7-101.8000110.7N23 Y24 G94 S95N23-Y92 HydrophobicContact CB-CE2 4.37Å; Y24-Y92 HydrophobicContact CD1-CD2 4.38Å; Y24-Y92 AromaticContact CE1-CD2 3.86Å; Y24-Y92 HydrophobicContact CE1-CD2 3.86Å; Y24-Y92 HydrophobicContact CE1-CG 4.35Å; Y24-Y92 HydrophobicContact CE2-CD2 4.22Å; Y24-Y92 AromaticContact CZ-CD2 3.76Å; Y92-G94 PolarHBondContact O-N 3.29Å; Y92-S95 VanDerWaalsContact O-CB 3.28Å; Y92-S95 WeakPolarHBondContact O-CB 2.97Å; Y92-S95 PolarHBondContact O-N 3.33Å; Y92-S95 VanDerWaalsContact O-N 3.14Å
93Y77.9Confident85.5Confident116 Ų11676 Ų7646%0.45536%0.356SS..THydrogen-bonded Turntrans-64.7125.7-177.9-176.7-96.4000110.9N23 F44 E91N23-Y93 WeakPolarHBondContact O-CB 3.16Å; N23-Y93 PolarHBondContact O-N 2.96Å; F44-Y93 AromaticContact CD1-CD2 3.99Å; F44-Y93 HydrophobicContact CD1-CD2 3.99Å; F44-Y93 AromaticContact CD1-CE2 3.82Å; F44-Y93 HydrophobicContact CD1-CE2 3.82Å; F44-Y93 AromaticContact CD2-CD2 3.84Å; F44-Y93 HydrophobicContact CD2-CD2 3.84Å; F44-Y93 HydrophobicContact CD2-CE2 4.48Å; F44-Y93 HydrophobicContact CD2-CG 4.27Å; F44-Y93 HydrophobicContact CE1-CD1 4.3Å; F44-Y93 AromaticContact CE1-CD2 3.9Å; F44-Y93 HydrophobicContact CE1-CD2 3.9Å; F44-Y93 HydrophobicContact CE1-CE1 4.26Å; F44-Y93 AromaticContact CE1-CE2 3.83Å; F44-Y93 HydrophobicContact CE1-CE2 3.83Å; F44-Y93 HydrophobicContact CE1-CG 4.12Å; F44-Y93 HydrophobicContact CE2-CD1 4.42Å; F44-Y93 AromaticContact CE2-CD2 3.72Å; F44-Y93 HydrophobicContact CE2-CD2 3.72Å; F44-Y93 HydrophobicContact CE2-CE2 4.46Å; F44-Y93 AromaticContact CE2-CG 3.68Å; F44-Y93 HydrophobicContact CE2-CG 3.68Å; F44-Y93 AromaticContact CG-CD2 4Å; F44-Y93 HydrophobicContact CG-CD2 4Å; F44-Y93 HydrophobicContact CG-CE2 4.19Å; F44-Y93 AromaticContact CZ-CD1 3.92Å; F44-Y93 HydrophobicContact CZ-CD1 3.92Å; F44-Y93 AromaticContact CZ-CD2 3.76Å; F44-Y93 HydrophobicContact CZ-CD2 3.76Å; F44-Y93 HydrophobicContact CZ-CE1 4.32Å; F44-Y93 HydrophobicContact CZ-CE2 4.17Å; F44-Y93 AromaticContact CZ-CG 3.61Å; F44-Y93 HydrophobicContact CZ-CG 3.61Å; E91-Y93 PolarHBondContact O-N 2.81Å
94G72.3Confident85.4Confident63 Ų6376 Ų7665%0.64936%0.36SS*.THydrogen-bonded Turntrans828.1-177.600000115.2Y92Y92-G94 PolarHBondContact O-N 3.29Å
95S69.9Low85.3Confident38 Ų3884.7 Ų84.727%0.26640%0.399SS..  trans-64.4137.1170-178.40000111.5Y92 Y97Y92-S95 VanDerWaalsContact O-CB 3.28Å; Y92-S95 WeakPolarHBondContact O-CB 2.97Å; Y92-S95 PolarHBondContact O-N 3.33Å; Y92-S95 VanDerWaalsContact O-N 3.14Å; S95-Y97 WeakPolarHBondContact CB-O 3.36Å; S95-Y97 PolarHBondContact O-N 3.06Å; S95-Y97 PolarHBondContact OG-N 3.25Å; S95-Y97 PolarHBondContact OG-O 3.19Å
96Y63.8Low85.3Confident214 Ų21483.8 Ų83.884%0.83940%0.4SS*.SBendtrans-73.2-13.8167.9-69.9-79.2000112.8
97Y63.3Low85.2Confident186 Ų18686 Ų8673%0.72941%0.414SS*.SBendtrans-108.9112179.2-57.1-78.6000108.6S95 A99S95-Y97 WeakPolarHBondContact CB-O 3.36Å; S95-Y97 PolarHBondContact O-N 3.06Å; S95-Y97 PolarHBondContact OG-N 3.25Å; S95-Y97 PolarHBondContact OG-O 3.19Å; Y97-A99 PolarHBondContact O-N 3.38Å
98Y65.8Low85.2Confident198 Ų19886.9 Ų86.978%0.77642%0.423SS*.  trans-72.241.3-179.7-60-76.4000113.5E91E91-Y98 VanDerWaalsContact OE1-CA 3.3Å; E91-Y98 WeakPolarHBondContact OE1-CA 3.43Å; E91-Y98 WeakPolarHBondContact OE1-CD1 3.24Å
99A75.3Confident85.2Confident38 Ų3886 Ų8631%0.31442%0.418SS..  trans-89.9118.9-172.100000110.5Y97 D101Y97-A99 PolarHBondContact O-N 3.38Å; A99-D101 VanDerWaalsContact C-N 3.26Å; A99-D101 WeakPolarHBondContact CB-OD1 3.36Å; A99-D101 PolarHBondContact O-N 3.49Å
100M84.8Confident85.3Confident53 Ų5388.7 Ų88.726%0.26143%0.434SS..  trans-80.178.4168.5-65.4-176-165.800108.8N27 V29 A89 Y102 W103N27-M100 HydrophobicContact CB-CE 3.76Å; N27-M100 HydrophobicContact CB-SD 3.85Å; N27-M100 WeakPolarHBondContact OD1-CE 3.32Å; V29-M100 HydrophobicContact CG2-SD 4.47Å; A89-M100 HydrophobicContact CB-CB 3.96Å; A89-M100 HydrophobicContact CB-CG 4.28Å; A89-M100 HydrophobicContact CB-SD 4.03Å; M100-Y102 VanDerWaalsContact C-N 3.31Å; M100-Y102 PolarHBondContact O-N 2.96Å; M100-W103 HydrophobicContact CB-CZ2 3.96Å; M100-W103 PolarHBondContact O-NE1 2.98Å; M100-W103 HydrophobicContact SD-CH2 4.25Å; M100-W103 HydrophobicContact SD-CZ2 3.85Å
101D82.4Confident85.5Confident121 Ų12187.2 Ų87.265%0.64743%0.429SS*.  trans-72-22.5-168.2-67-34.8000113.9A99A99-D101 VanDerWaalsContact C-N 3.26Å; A99-D101 WeakPolarHBondContact CB-OD1 3.36Å; A99-D101 PolarHBondContact O-N 3.49Å
102Y90.6Very high85.6Confident143 Ų14388.8 Ų88.856%0.56144%0.442SS*.EExtended strand (participates in β ladder)trans-134.5133.1-178.5-64.1-99.6000111.6A89 R90 M100A89-Y102 CarbonylContact C-O 3.39Å; A89-Y102 WeakPolarHBondContact CA-O 3.43Å; A89-Y102 WeakPolarHBondContact CB-O 3.49Å; R90-Y102 PolarHBondContact N-O 3.45Å; R90-Y102 VanDerWaalsContact NH2-CG 3.28Å; R90-Y102 VanDerWaalsContact NH2-CZ 3.3Å; M100-Y102 VanDerWaalsContact C-N 3.31Å; M100-Y102 PolarHBondContact O-N 2.96Å
103W95.3Very high85.6Confident105 Ų10590.2 Ų90.240%0.39847%0.47SS..EExtended strand (participates in β ladder)trans-121.4142.5-177-68.368.1000110.8V29 L37 F87 C88 A89 M100V29-W103 HydrophobicContact CB-CH2 4.03Å; V29-W103 HydrophobicContact CB-CZ3 3.77Å; V29-W103 HydrophobicContact CG1-CH2 4.01Å; V29-W103 HydrophobicContact CG1-CZ3 3.97Å; V29-W103 HydrophobicContact CG2-CH2 3.71Å; V29-W103 HydrophobicContact CG2-CZ3 3.87Å; L37-W103 HydrophobicContact CD1-CH2 3.98Å; L37-W103 HydrophobicContact CD1-CZ3 4.38Å; L37-W103 HydrophobicContact CD2-CZ3 4.36Å; F87-W103 HydrophobicContact CB-CE3 3.7Å; F87-W103 HydrophobicContact CB-CZ3 3.9Å; F87-W103 HydrophobicContact CG-CE3 4.16Å; F87-W103 HydrophobicContact CG-CZ3 4.38Å; C88-W103 CarbonylContact O-C 3.51Å; C88-W103 WeakPolarHBondContact O-CA 3.48Å; A89-W103 HydrophobicContact CB-CD2 3.64Å; A89-W103 HydrophobicContact CB-CE3 4.02Å; A89-W103 HydrophobicContact CB-CG 3.96Å; A89-W103 HydrophobicContact CB-CH2 4.45Å; A89-W103 HydrophobicContact CB-CZ2 4.1Å; A89-W103 HydrophobicContact CB-CZ3 4.42Å; M100-W103 HydrophobicContact CB-CZ2 3.96Å; M100-W103 PolarHBondContact O-NE1 2.98Å; M100-W103 HydrophobicContact SD-CH2 4.25Å; M100-W103 HydrophobicContact SD-CZ2 3.85Å
104G95.6Very high85.9Confident30 Ų3088.9 Ų88.931%0.30947%0.471SS..  trans-68.8163.6165.900000111.4C88 G106C88-G104 PolarHBondContact O-N 2.81Å; G104-G106 PolarHBondContact O-N 3.29Å; G104-G106 VanDerWaalsContact O-N 3.13Å
105Q95.6Very high86.7Confident189 Ų18990.3 Ų90.388%0.88346%0.462SS*.  trans-64.5-17.1-179.4-64.7-61.4-46.200114
106G96.4Very high87.6Confident27 Ų2793.2 Ų93.228%0.27847%0.472SS..  trans85.4150.4-177.100000113.2Y86 G104Y86-G106 CarbonylContact O-C 3.47Å; Y86-G106 WeakPolarHBondContact O-CA 3.48Å; G104-G106 PolarHBondContact O-N 3.29Å; G104-G106 VanDerWaalsContact O-N 3.13Å
107T97.5Very high89Confident50 Ų5086.1 Ų86.131%0.30745%0.451SS..EExtended strand (participates in β ladder)trans-123.2118176.1-62.70000109.1L12 Y86 V109L12-T107 HydrophobicContact CD2-CG2 4.02Å; Y86-T107 PolarHBondContact N-O 2.87Å; Y86-T107 PolarHBondContact O-N 2.87Å; T107-V109 PolarHBondContact O-N 3.02Å
108S97.6Very high90.6Very high48 Ų4879.8 Ų79.834%0.33643%0.434SS..EExtended strand (participates in β ladder)trans-69.2126.4171.6-173.70000110.1A1 E2A1-S108 CarbonylContact C-O 3.57Å; A1-S108 WeakPolarHBondContact CA-O 3.3Å; E2-S108 PolarHBondContact N-O 3.43Å
109V97.5Very high92.3Very high0 Ų071.9 Ų71.90%041%0.411CS..EExtended strand (participates in β ladder)trans-115.6126.4168.5179.20000107.3E2 V4 V10 L12 L78 S83 A84 Y86 T107 V111E2-V109 HydrophobicContact CB-CG2 4.29Å; E2-V109 CarbonylContact O-C 3.55Å; E2-V109 WeakPolarHBondContact O-CA 3.14Å; V4-V109 HydrophobicContact CG2-CG1 4.23Å; V10-V109 HydrophobicContact CG1-CG1 4.35Å; V10-V109 HydrophobicContact CG1-CG2 4.42Å; L12-V109 HydrophobicContact CD1-CG2 4.19Å; L12-V109 HydrophobicContact CD2-CG2 4.01Å; L78-V109 HydrophobicContact CD1-CG1 4.4Å; S83-V109 CarbonylContact C-O 3.6Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.27Å; A84-V109 PolarHBondContact N-O 3.32Å; A84-V109 PolarHBondContact O-N 2.86Å; Y86-V109 HydrophobicContact CD2-CB 3.94Å; Y86-V109 HydrophobicContact CD2-CG2 3.66Å; Y86-V109 HydrophobicContact CE2-CB 3.8Å; Y86-V109 HydrophobicContact CE2-CG2 3.94Å; T107-V109 PolarHBondContact O-N 3.02Å; V109-V111 HydrophobicContact CG1-CG2 4.4Å
110T97.4Very high93.5Very high59 Ų5974.4 Ų74.436%0.36242%0.418SS..EExtended strand (participates in β ladder)trans-120.3125.1178.9-57.50000108.9E2 L3 V4E2-T110 PolarHBondContact O-N 3.45Å; L3-T110 WeakPolarHBondContact CA-O 3.05Å; L3-T110 HydrophobicContact CD1-CG2 3.85Å; V4-T110 PolarHBondContact N-O 3.07Å
111V96.8Very high94.1Very high7 Ų776 Ų764%0.04243%0.43CS..EExtended strand (participates in β ladder)trans-109.2105-179.4-169.80000108.8V4 P6 L78 T79 D82 S83 V109V4-V111 HydrophobicContact CG2-CB 4.39Å; V4-V111 HydrophobicContact CG2-CG1 4.44Å; V4-V111 HydrophobicContact CG2-CG2 3.83Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.21Å; P6-V111 HydrophobicContact CB-CG1 4.44Å; P6-V111 HydrophobicContact CG-CG1 4.2Å; L78-V111 HydrophobicContact CB-CG1 4.18Å; L78-V111 HydrophobicContact CB-CG2 3.92Å; L78-V111 HydrophobicContact CD1-CG2 4.29Å; T79-V111 VanDerWaalsContact O-CB 3.31Å; T79-V111 WeakPolarHBondContact O-CB 3.34Å; T79-V111 WeakPolarHBondContact O-CG2 3.42Å; D82-V111 HydrophobicContact CB-CG2 4.37Å; S83-V111 PolarHBondContact OG-N 2.6Å; V109-V111 HydrophobicContact CG1-CG2 4.4Å
112S94.6Very high95.1Very high55 Ų5572.3 Ų72.339%0.38541%0.411SS..  trans-142.7151.6-179.4670000111.9L3 V4L3-S112 WeakPolarHBondContact CD1-OG 3.5Å; V4-S112 PolarHBondContact O-N 2.62Å
113S86.5Confident95.5Very high154 Ų15465.8 Ų65.8100%1.07740%0.398SS*.  trans-75.40176.157.30000112.6

Retrieved 113 of 113 residues in 28.3 ms (Link to these results)

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