X5J544_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J544, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 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
1P67.9Low90.7Very high145 Ų14578.6 Ų78.694%0.94245%0.449SS*.  0122.50-12.829.4000109.2S105P1-S105 CarbonylContact C-O 3.55Å; P1-S105 WeakPolarHBondContact CA-O 3.14Å
2E83.7Confident91.1Very high57 Ų5772.7 Ų72.727%0.26642%0.415SS..EExtended strand (participates in β ladder)trans-97.7121.3176.3-68.8173.9149.400108.1V10 S105 V106 T107E2-V10 HydrophobicContact CB-CG2 4.09Å; E2-V10 HydrophobicContact CG-CG2 4.18Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; E2-S105 PolarHBondContact N-O 3.27Å; E2-V106 HydrophobicContact CB-CG2 4.36Å; E2-V106 CarbonylContact O-C 3.5Å; E2-V106 WeakPolarHBondContact O-CA 3.3Å; E2-T107 PolarHBondContact O-N 2.97Å
3L90.1Very high91.2Very high120 Ų12072.4 Ų72.463%0.62842%0.42SS*.EExtended strand (participates in β ladder)trans-103.7116.7176.8-179.966.9000108.5T107L3-T107 WeakPolarHBondContact CA-O 3.29Å; L3-T107 HydrophobicContact CD1-CG2 3.99Å
4E93.3Very high91.2Very high53 Ų5368.5 Ų68.525%0.24840%0.399CS..EExtended strand (participates in β ladder)trans-125.2153.7-170.7-65.3-62.1156.400111.7A8 V10 L78 T107 V108 S109E4-A8 HydrophobicContact CB-CB 4.49Å; E4-V10 HydrophobicContact CG-CB 4.18Å; E4-V10 HydrophobicContact CG-CG2 4.18Å; E4-L78 HydrophobicContact CB-CD1 3.71Å; E4-L78 HydrophobicContact CG-CD1 3.85Å; E4-T107 PolarHBondContact N-O 2.8Å; E4-V108 WeakPolarHBondContact O-CA 2.95Å; E4-S109 PolarHBondContact O-N 2.89Å; E4-S109 VanDerWaalsContact O-N 3.11Å
5K91.9Very high91Very high159 Ų15974 Ų7469%0.69142%0.416SS*.  trans-86.6151.1172.1-65-177.1-178.6-178.60110.5G7 A8K5-G7 PolarHBondContact O-N 2.99Å; K5-A8 WeakPolarHBondContact O-CB 3.4Å; K5-A8 PolarHBondContact O-N 3.18Å; K5-A8 VanDerWaalsContact O-N 3.07Å
6P94.4Very high90.3Very high71 Ų7170.1 Ų70.146%0.46140%0.396SS..THydrogen-bonded Turntrans-52138.5169.8-26.833.4000111.7A8 L78 V108 S109P6-A8 PolarHBondContact O-N 2.89Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; P6-V108 HydrophobicContact CG-CG1 4.11Å; P6-S109 WeakPolarHBondContact CD-O 3.19Å
7G93.3Very high89.5Confident50 Ų5072.4 Ų72.452%0.51542%0.418SS..THydrogen-bonded Turntrans82.7-13.7-176.800000115K5 L78K5-G7 PolarHBondContact O-N 2.99Å; G7-L78 PolarHBondContact N-O 2.85Å
8A95.1Very high88.5Confident28 Ų2873.3 Ų73.323%0.23145%0.445CS..  trans-67171.3175.700000112E4 K5 P6 S77 L78E4-A8 HydrophobicContact CB-CB 4.49Å; K5-A8 WeakPolarHBondContact O-CB 3.4Å; K5-A8 PolarHBondContact O-N 3.18Å; K5-A8 VanDerWaalsContact O-N 3.07Å; P6-A8 PolarHBondContact O-N 2.89Å; A8-S77 PolarHBondContact O-N 3.44Å; A8-S77 VanDerWaalsContact O-N 3.14Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.79Å
9S95.9Very high87.3Confident60 Ų6073.4 Ų73.442%0.4244%0.438SS..  trans-125.8139.9173.3-580000109.4L75 K76S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.33Å; S9-L75 WeakPolarHBondContact CB-O 3.19Å; S9-K76 WeakPolarHBondContact OG-CA 3.38Å
10V96.1Very high86.3Confident6 Ų672.3 Ų72.34%0.03643%0.433CS..EExtended strand (participates in β ladder)trans-124.5146.8-179.375.80000110.7E2 E4 I12 Q74 L75 L78 V106E2-V10 HydrophobicContact CB-CG2 4.09Å; E2-V10 HydrophobicContact CG-CG2 4.18Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; E4-V10 HydrophobicContact CG-CB 4.18Å; E4-V10 HydrophobicContact CG-CG2 4.18Å; V10-I12 HydrophobicContact CG1-CD1 4.46Å; V10-I12 HydrophobicContact CG1-CG1 4.46Å; V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 HydrophobicContact CG1-CB 4.14Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.94Å; V10-L75 PolarHBondContact O-N 2.88Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-V106 HydrophobicContact CG1-CG1 4.34Å; V10-V106 HydrophobicContact CG1-CG2 4.38Å
11K96.1Very high85.5Confident116 Ų11668.9 Ų68.950%0.50441%0.413SS..EExtended strand (participates in β ladder)trans-121.5102.9-178.1-173.3-177.3179.3-1740110.2Y72 M73K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; K11-M73 WeakPolarHBondContact CA-O 3.28Å
12I95.1Very high85.5Confident7 Ų764.6 Ų64.64%0.03638%0.384CS..EExtended strand (participates in β ladder)trans-89.2130.6-178.7-58.3154.1000109.1V10 Y72 M73 L75 Y86 T104 V106V10-I12 HydrophobicContact CG1-CD1 4.46Å; V10-I12 HydrophobicContact CG1-CG1 4.46Å; I12-Y72 CarbonylContact O-C 3.56Å; I12-Y72 VanDerWaalsContact O-CA 3.28Å; I12-Y72 WeakPolarHBondContact O-CA 2.87Å; I12-M73 HydrophobicContact CD1-CE 3.62Å; I12-M73 PolarHBondContact N-O 2.82Å; I12-M73 PolarHBondContact O-N 3Å; I12-L75 HydrophobicContact CD1-CD1 4Å; I12-Y86 HydrophobicContact CD1-CD1 4.42Å; I12-Y86 HydrophobicContact CD1-CD2 3.97Å; I12-Y86 HydrophobicContact CD1-CG 3.8Å; I12-T104 HydrophobicContact CG1-CG2 4.45Å; I12-T104 HydrophobicContact CG2-CG2 4.26Å; I12-V106 HydrophobicContact CD1-CG2 3.97Å; I12-V106 HydrophobicContact CG1-CG2 4.35Å
13S93.4Very high84.9Confident69 Ų6964.6 Ų64.648%0.48340%0.4SS..EExtended strand (participates in β ladder)trans-103.1149.5176.572.40000111.8A71S13-A71 CarbonylContact C-O 3.57Å
14C90.1Very high84.3Confident18 Ų1862.8 Ų62.812%0.12239%0.385CS..EExtended strand (participates in β ladder)trans-138114169.2172.70000107.7F21 A71 C88C14-F21 VanDerWaalsContact O-CE2 3.24Å; C14-F21 WeakPolarHBondContact O-CE2 3.35Å; C14-F21 WeakPolarHBondContact O-CZ 3.31Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.11Å
15K88.4Confident83.9Confident151 Ų15162.2 Ų62.266%0.65738%0.384SS*.EExtended strand (participates in β ladder)trans-103.7134.8-178.6-174.3175-179179.90109.7T70K15-T70 HydrophobicContact CB-CG2 4.33Å
16A80.3Confident83.7Confident12 Ų1254.7 Ų54.710%0.09935%0.351CS..  trans-69.5140.7173.900000109.7Y19 F21 S69A16-Y19 HydrophobicContact CB-CD1 4.32Å; A16-Y19 HydrophobicContact CB-CD2 3.94Å; A16-Y19 HydrophobicContact CB-CE1 4.07Å; A16-Y19 HydrophobicContact CB-CE2 3.66Å; A16-Y19 HydrophobicContact CB-CG 4.25Å; A16-Y19 WeakPolarHBondContact CB-O 3.37Å; A16-F21 HydrophobicContact CB-CD1 3.85Å; A16-F21 HydrophobicContact CB-CD2 4.04Å; A16-F21 HydrophobicContact CB-CE1 3.59Å; A16-F21 HydrophobicContact CB-CE2 3.79Å; A16-F21 HydrophobicContact CB-CG 4.07Å; A16-F21 HydrophobicContact CB-CZ 3.56Å; A16-F21 VanDerWaalsContact N-CE2 3.25Å; A16-S69 PolarHBondContact N-O 2.82Å; A16-S69 VanDerWaalsContact N-O 3.13Å
17S76.1Confident83.6Confident109 Ų10951.7 Ų51.776%0.76233%0.331SS*.SBendtrans-109.3116171.3-174.80000108.9Y19S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 2.94Å
18G71.4Confident83.7Confident89 Ų8949.6 Ų49.692%0.91831%0.308SS*.SBendtrans797.7174.400000116.4
19Y66.4Low83.7Confident75 Ų7548.4 Ų48.429%0.29430%0.298SS..SBendtrans-150.6160.8175.363.8-86.5000111.9A16 S17 F21 Y24A16-Y19 HydrophobicContact CB-CD1 4.32Å; A16-Y19 HydrophobicContact CB-CD2 3.94Å; A16-Y19 HydrophobicContact CB-CE1 4.07Å; A16-Y19 HydrophobicContact CB-CE2 3.66Å; A16-Y19 HydrophobicContact CB-CG 4.25Å; A16-Y19 WeakPolarHBondContact CB-O 3.37Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 2.94Å; Y19-F21 AromaticContact CE2-CD1 3.75Å; Y19-F21 HydrophobicContact CE2-CD1 3.75Å; Y19-F21 AromaticContact CE2-CE1 3.9Å; Y19-F21 HydrophobicContact CE2-CE1 3.9Å; Y19-Y24 HydrophobicContact CD2-CD2 4.19Å; Y19-Y24 HydrophobicContact CD2-CE2 4.28Å; Y19-Y24 HydrophobicContact CE2-CD2 4.39Å
20S68Low83.7Confident51 Ų5146.1 Ų46.136%0.35728%0.28SS..  trans-86.4137.2170.5176.60000110.7T22S20-T22 PolarHBondContact O-N 3.08Å; S20-T22 WeakPolarHBondContact OG-CG2 3.41Å; S20-T22 PolarHBondContact OG-N 2.97Å; S20-T22 PolarHBondContact OG-OG1 3.09Å
21F68Low83.7Confident1 Ų149.2 Ų49.20%0.00429%0.294CS..G310 helixtrans-66.7-13.8174.4-77.6-47.7000114C14 A16 Y19 G23 Y24 L26 P45 S69 A71C14-F21 VanDerWaalsContact O-CE2 3.24Å; C14-F21 WeakPolarHBondContact O-CE2 3.35Å; C14-F21 WeakPolarHBondContact O-CZ 3.31Å; A16-F21 HydrophobicContact CB-CD1 3.85Å; A16-F21 HydrophobicContact CB-CD2 4.04Å; A16-F21 HydrophobicContact CB-CE1 3.59Å; A16-F21 HydrophobicContact CB-CE2 3.79Å; A16-F21 HydrophobicContact CB-CG 4.07Å; A16-F21 HydrophobicContact CB-CZ 3.56Å; A16-F21 VanDerWaalsContact N-CE2 3.25Å; Y19-F21 AromaticContact CE2-CD1 3.75Å; Y19-F21 HydrophobicContact CE2-CD1 3.75Å; Y19-F21 AromaticContact CE2-CE1 3.9Å; Y19-F21 HydrophobicContact CE2-CE1 3.9Å; F21-G23 PolarHBondContact O-N 3.48Å; F21-Y24 PolarHBondContact O-N 2.89Å; F21-Y24 VanDerWaalsContact O-N 3.16Å; F21-L26 HydrophobicContact CB-CD1 4.08Å; F21-L26 HydrophobicContact CD1-CD1 3.48Å; F21-L26 VanDerWaalsContact CD1-CD1 3.48Å; F21-L26 HydrophobicContact CD1-CD2 3.53Å; F21-L26 HydrophobicContact CD1-CG 3.98Å; F21-L26 HydrophobicContact CD2-CD1 4.01Å; F21-L26 HydrophobicContact CE1-CD1 3.76Å; F21-L26 HydrophobicContact CE1-CD2 3.44Å; F21-L26 VanDerWaalsContact CE1-CD2 3.44Å; F21-L26 HydrophobicContact CE1-CG 4.22Å; F21-L26 HydrophobicContact CE2-CD1 4.26Å; F21-L26 HydrophobicContact CG-CD1 3.63Å; F21-L26 HydrophobicContact CG-CD2 4.5Å; F21-L26 HydrophobicContact CZ-CD1 4.15Å; F21-L26 HydrophobicContact CZ-CD2 4.35Å; F21-P45 HydrophobicContact CB-CG 4.31Å; F21-P45 WeakPolarHBondContact O-CG 3.28Å; F21-S69 WeakPolarHBondContact CD2-O 3.14Å; F21-S69 VanDerWaalsContact CE2-C 3.42Å; F21-S69 WeakPolarHBondContact CE2-O 3.38Å; F21-A71 HydrophobicContact CE2-CB 4.38Å
22T68.4Low83.5Confident54 Ų5444.1 Ų44.133%0.33127%0.273SS..G310 helixtrans-63-14.5-17153.40000114.9S20 Y46 K66S20-T22 PolarHBondContact O-N 3.08Å; S20-T22 WeakPolarHBondContact OG-CG2 3.41Å; S20-T22 PolarHBondContact OG-N 2.97Å; S20-T22 PolarHBondContact OG-OG1 3.09Å; T22-Y46 WeakPolarHBondContact O-CB 3.49Å; T22-Y46 VanDerWaalsContact O-CD2 3.3Å; T22-Y46 WeakPolarHBondContact O-CD2 2.95Å; T22-K66 HydrophobicContact CG2-CB 4.44Å; T22-K66 HydrophobicContact CG2-CD 4.44Å; T22-K66 HydrophobicContact CG2-CG 4.47Å
23G71.6Confident83.1Confident58 Ų5850.4 Ų50.460%0.59831%0.307SS*.G310 helixtrans-103.5-0.4178.600000115.7F21F21-G23 PolarHBondContact O-N 3.48Å
24Y77.9Confident82.6Confident81 Ų8151.5 Ų51.532%0.31833%0.33SS..SBendtrans-134.7141-169.1-59.9-76.9000113.1Y19 F21 P45 R90Y19-Y24 HydrophobicContact CD2-CD2 4.19Å; Y19-Y24 HydrophobicContact CD2-CE2 4.28Å; Y19-Y24 HydrophobicContact CE2-CD2 4.39Å; F21-Y24 PolarHBondContact O-N 2.89Å; F21-Y24 VanDerWaalsContact O-N 3.16Å; Y24-P45 WeakPolarHBondContact O-CD 3.14Å; Y24-P45 WeakPolarHBondContact O-CG 3.34Å; Y24-R90 HydrophobicContact CD1-CG 4.06Å; Y24-R90 HydrophobicContact CD2-CG 4.44Å; Y24-R90 HydrophobicContact CG-CG 3.78Å
25N83.7Confident82.3Confident41 Ų4157.3 Ų57.322%0.21935%0.353CS..EExtended strand (participates in β ladder)trans-72136.8170.5-92.3-77.1000110.2N42 D44 L91N25-N42 PolarHBondContact OD1-ND2 3.14Å; N25-D44 PolarHBondContact ND2-OD2 3.28Å; N25-D44 VanDerWaalsContact ND2-OD2 3.14Å; N25-D44 WeakPolarHBondContact OD1-CA 2.98Å; N25-D44 VanDerWaalsContact OD1-CB 3.29Å; N25-D44 WeakPolarHBondContact OD1-CB 2.96Å; N25-L91 HydrophobicContact CB-CB 3.89Å; N25-L91 HydrophobicContact CB-CD2 4.17Å; N25-L91 PolarHBondContact O-N 3.26Å
26L88.7Confident82.3Confident2 Ų254.7 Ų54.71%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-114.2113.7-177.6-67.2173.8000110.8F21 N42 I43 P45 A71F21-L26 HydrophobicContact CB-CD1 4.08Å; F21-L26 HydrophobicContact CD1-CD1 3.48Å; F21-L26 VanDerWaalsContact CD1-CD1 3.48Å; F21-L26 HydrophobicContact CD1-CD2 3.53Å; F21-L26 HydrophobicContact CD1-CG 3.98Å; F21-L26 HydrophobicContact CD2-CD1 4.01Å; F21-L26 HydrophobicContact CE1-CD1 3.76Å; F21-L26 HydrophobicContact CE1-CD2 3.44Å; F21-L26 VanDerWaalsContact CE1-CD2 3.44Å; F21-L26 HydrophobicContact CE1-CG 4.22Å; F21-L26 HydrophobicContact CE2-CD1 4.26Å; F21-L26 HydrophobicContact CG-CD1 3.63Å; F21-L26 HydrophobicContact CG-CD2 4.5Å; F21-L26 HydrophobicContact CZ-CD1 4.15Å; F21-L26 HydrophobicContact CZ-CD2 4.35Å; L26-N42 CarbonylContact O-C 3.44Å; L26-N42 WeakPolarHBondContact O-CA 3.41Å; L26-I43 HydrophobicContact CB-CG2 3.96Å; L26-I43 PolarHBondContact N-O 2.92Å; L26-I43 PolarHBondContact O-N 2.9Å; L26-P45 HydrophobicContact CD1-CG 4.11Å; L26-P45 HydrophobicContact CG-CG 4.41Å; L26-A71 HydrophobicContact CD1-CB 3.55Å
27N92.1Very high82.9Confident8 Ų858.4 Ų58.44%0.04337%0.371CS..EExtended strand (participates in β ladder)trans-89.1151.2176.3-65.7-79.9000111.1W39 G41 N42 C88 A89 M97N27-W39 PolarHBondContact OD1-NE1 2.81Å; N27-G41 CarbonylContact C-O 3.58Å; N27-G41 WeakPolarHBondContact CA-O 3.4Å; N27-N42 WeakPolarHBondContact OD1-CB 3.13Å; N27-C88 WeakPolarHBondContact O-CA 3.09Å; N27-A89 HydrophobicContact CB-CB 4.31Å; N27-A89 PolarHBondContact N-O 3.1Å; N27-A89 PolarHBondContact O-N 3.29Å; N27-M97 HydrophobicContact CB-CE 4.11Å; N27-M97 HydrophobicContact CB-SD 4.38Å
28R94.3Very high83.8Confident5 Ų555 Ų552%0.01934%0.343CS..EExtended strand (participates in β ladder)trans-118.5133168.7-70-64.3-171.1-99.85.6109.3I40 G41 L62 A71 M73 Y87R28-I40 HydrophobicContact CB-CB 3.99Å; R28-I40 HydrophobicContact CB-CD1 4.24Å; R28-I40 HydrophobicContact CB-CG2 4.43Å; R28-I40 WeakPolarHBondContact O-CB 3.42Å; R28-I40 PolarHBondContact O-N 3.42Å; R28-G41 PolarHBondContact N-O 2.72Å; R28-L62 HydrophobicContact CB-CD2 4.31Å; R28-L62 HydrophobicContact CG-CD1 4.34Å; R28-L62 HydrophobicContact CG-CD2 3.62Å; R28-A71 PolarHBondContact NH2-O 3.15Å; R28-M73 HydrophobicContact CB-SD 3.73Å; R28-M73 HydrophobicContact CG-CB 4.3Å; R28-M73 HydrophobicContact CG-SD 3.75Å; R28-Y87 WeakPolarHBondContact CA-O 3.37Å
29V95.3Very high84.9Confident4 Ų454.8 Ų54.82%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-134.8134.9-174.5-176.90000108.9L37 E38 Y86 Y87 W100V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-Y87 PolarHBondContact N-O 3.22Å; V29-Y87 PolarHBondContact O-N 3.21Å; V29-W100 HydrophobicContact CB-CH2 4.08Å; V29-W100 HydrophobicContact CB-CZ3 3.84Å; V29-W100 HydrophobicContact CG1-CH2 4.02Å; V29-W100 HydrophobicContact CG1-CZ3 3.98Å; V29-W100 HydrophobicContact CG2-CH2 3.75Å; V29-W100 HydrophobicContact CG2-CZ3 3.93Å
30K95.9Very high86.3Confident12 Ų1251.2 Ų51.25%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-100.6134.3173.3-176-178.4-179.8-175.90109.1S32 E38 I40 F56 E81 D82 A84 Y86K30-S32 WeakPolarHBondContact CE-OG 3.46Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.85Å; K30-E38 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; K30-F56 HydrophobicContact CB-CZ 4.36Å; K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 3.9Å; K30-E81 PolarHBondContact NZ-O 3Å; K30-D82 IonicContact NZ-OD1 3.83Å; K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.02Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31Q95.8Very high87.6Confident70 Ų7048.8 Ų48.833%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-118103.8167.1-170178.132.700108.8L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.65Å; Q31-L37 HydrophobicContact CG-CD2 3.78Å; Q31-A84 WeakPolarHBondContact O-CA 3.01Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 3.47Å; Q31-V85 PolarHBondContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CD2 4.28Å; Q31-Y87 HydrophobicContact CB-CE2 3.65Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.27Å; Q31-Y87 PolarHBondContact OE1-OH 2.91Å
32S93.4Very high88.7Confident10 Ų1049.9 Ų49.97%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-77.8149.5173.4-51.30000109.6K30 G34 K35K30-S32 WeakPolarHBondContact CE-OG 3.46Å; S32-G34 PolarHBondContact O-N 3.02Å; S32-K35 PolarHBondContact O-N 2.84Å
33N86.6Confident89.7Confident138 Ų13848 Ų4874%0.73828%0.277SS*.THydrogen-bonded Turntrans-53.8123.2-179.2-71.6-14.5000111.5K35N33-K35 PolarHBondContact O-N 2.84Å
34G83.1Confident90.5Very high93 Ų9346.5 Ų46.596%0.95926%0.255SS*.THydrogen-bonded Turntrans6910.5179.600000115.5S32S32-G34 PolarHBondContact O-N 3.02Å
35K83.7Confident90.8Very high140 Ų14042.6 Ų42.661%0.60924%0.24SC*.SBendtrans-114.5166.1179.6-60.3-170.1-177.6175.90112.3S32 N33S32-K35 PolarHBondContact O-N 2.84Å; N33-K35 PolarHBondContact O-N 2.84Å
36S87.8Confident90.6Very high96 Ų9647.9 Ų47.967%0.67126%0.258SS*.  trans-64.9163.9171.4550000112.1
37L93.3Very high90.3Very high89 Ų8956.9 Ų56.947%0.46629%0.293SS..EExtended strand (participates in β ladder)trans-69129.8173.5-64.4175.4000110.4V29 Q31 W100V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.65Å; Q31-L37 HydrophobicContact CG-CD2 3.78Å; L37-W100 HydrophobicContact CD1-CH2 3.94Å; L37-W100 HydrophobicContact CD1-CZ3 4.34Å
38E94.9Very high89.5Confident39 Ų3959.1 Ų59.118%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-110118.9175.6-67.6-173.99200110V29 K30 I40 K55 F56V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.85Å; K30-E38 PolarHBondContact O-N 2.82Å; E38-I40 PolarHBondContact O-N 3.44Å; E38-K55 IonicContact OE1-NZ 2.85Å; E38-K55 PolarHBondContact OE1-NZ 3.07Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.45Å
39W94.4Very high89.2Confident84 Ų8460.7 Ų60.732%0.31834%0.336SS..EExtended strand (participates in β ladder)trans-71.9127174-178.681.6000110.6N27 G41 N42 N53N27-W39 PolarHBondContact OD1-NE1 2.81Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.8Å; W39-N42 HydrophobicContact CZ2-CB 4.03Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.36Å
40I95.9Very high89Confident0 Ų063.1 Ų63.10%035%0.351CS..EExtended strand (participates in β ladder)trans-91.4-45.7-178.4-60.4175.3000110.3R28 K30 E38 N53 F56 A60 M73 Y86R28-I40 HydrophobicContact CB-CB 3.99Å; R28-I40 HydrophobicContact CB-CD1 4.24Å; R28-I40 HydrophobicContact CB-CG2 4.43Å; R28-I40 WeakPolarHBondContact O-CB 3.42Å; R28-I40 PolarHBondContact O-N 3.42Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; E38-I40 PolarHBondContact O-N 3.44Å; I40-N53 PolarHBondContact O-N 2.04Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.15Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.06Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.04Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 3.9Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 4.08Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å
41G94.3Very high88.9Confident0 Ų065.4 Ų65.40%037%0.369CS..EExtended strand (participates in β ladder)trans168.2172.6-172.400000112.2N27 R28 W39 S51N27-G41 CarbonylContact C-O 3.58Å; N27-G41 WeakPolarHBondContact CA-O 3.4Å; R28-G41 PolarHBondContact N-O 2.72Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.8Å; G41-S51 CarbonylContact C-O 3.58Å; G41-S51 WeakPolarHBondContact CA-O 3.39Å
42N92.3Very high88.8Confident24 Ų2465 Ų6513%0.12837%0.365CS..EExtended strand (participates in β ladder)trans-132.1153.4171.782.3-69.7000111.3N25 L26 N27 W39 T50 S51N25-N42 PolarHBondContact OD1-ND2 3.14Å; L26-N42 CarbonylContact O-C 3.44Å; L26-N42 WeakPolarHBondContact O-CA 3.41Å; N27-N42 WeakPolarHBondContact OD1-CB 3.13Å; W39-N42 HydrophobicContact CZ2-CB 4.03Å; N42-T50 CarbonylContact O-C 3.56Å; N42-T50 VanDerWaalsContact O-CA 3.3Å; N42-T50 WeakPolarHBondContact O-CA 3.38Å; N42-T50 VanDerWaalsContact O-CG2 3.27Å; N42-T50 WeakPolarHBondContact O-CG2 2.95Å; N42-S51 PolarHBondContact N-O 2.87Å; N42-S51 PolarHBondContact O-N 2.8Å; N42-S51 WeakPolarHBondContact OD1-CB 3.47Å; N42-S51 PolarHBondContact OD1-OG 3.31Å
43I90.1Very high88.9Confident13 Ų1366.6 Ų66.67%0.06737%0.372CS..EExtended strand (participates in β ladder)trans-122.4133.7168.3-172.6165.1000109.1L26 P45 T50 L62 V64L26-I43 HydrophobicContact CB-CG2 3.96Å; L26-I43 PolarHBondContact N-O 2.92Å; L26-I43 PolarHBondContact O-N 2.9Å; I43-P45 WeakPolarHBondContact O-CD 3.25Å; I43-T50 HydrophobicContact CB-CG2 4.49Å; I43-L62 HydrophobicContact CB-CB 4.34Å; I43-V64 HydrophobicContact CD1-CB 4.13Å; I43-V64 HydrophobicContact CD1-CG1 4.13Å
44D88Confident89.3Confident27 Ų2768.1 Ų68.114%0.14438%0.375CS..  trans-95.3106.3172.2-169.3-45.4000108.8N25 Y46 Y47 G48 G49N25-D44 PolarHBondContact ND2-OD2 3.28Å; N25-D44 VanDerWaalsContact ND2-OD2 3.14Å; N25-D44 WeakPolarHBondContact OD1-CA 2.98Å; N25-D44 VanDerWaalsContact OD1-CB 3.29Å; N25-D44 WeakPolarHBondContact OD1-CB 2.96Å; D44-Y46 PolarHBondContact O-N 2.81Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.38Å; D44-Y46 WeakPolarHBondContact OD1-CB 3.46Å; D44-Y46 PolarHBondContact OD1-N 2.81Å; D44-Y47 PolarHBondContact OD1-N 2.67Å; D44-G48 WeakPolarHBondContact O-CA 3.17Å; D44-G48 PolarHBondContact O-N 2.69Å; D44-G49 PolarHBondContact N-O 3.46Å
45P82.6Confident89.7Confident0 Ų070.9 Ų70.90%036%0.361CS..THydrogen-bonded Turntrans-72.4-16.5-179.1-1835.1000113.2F21 Y24 L26 I43 V64 K66F21-P45 HydrophobicContact CB-CG 4.31Å; F21-P45 WeakPolarHBondContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CD 3.14Å; Y24-P45 WeakPolarHBondContact O-CG 3.34Å; L26-P45 HydrophobicContact CD1-CG 4.11Å; L26-P45 HydrophobicContact CG-CG 4.41Å; I43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-V64 HydrophobicContact CB-CG1 4.19Å; P45-V64 HydrophobicContact CB-CG2 4.28Å; P45-V64 HydrophobicContact CG-CG2 4.35Å; P45-K66 WeakPolarHBondContact O-CE 3.5Å; P45-K66 PolarHBondContact O-NZ 2.86Å
46Y81.2Confident90.2Very high152 Ų15264.7 Ų64.760%0.59633%0.334SS*.THydrogen-bonded Turntrans-82.4-58.8179.8-165.9-98000110.5T22 D44T22-Y46 WeakPolarHBondContact O-CB 3.49Å; T22-Y46 VanDerWaalsContact O-CD2 3.3Å; T22-Y46 WeakPolarHBondContact O-CD2 2.95Å; D44-Y46 PolarHBondContact O-N 2.81Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.38Å; D44-Y46 WeakPolarHBondContact OD1-CB 3.46Å; D44-Y46 PolarHBondContact OD1-N 2.81Å
47Y80.9Confident90.5Very high190 Ų19068.8 Ų68.875%0.74534%0.335SS*.THydrogen-bonded Turntrans-90.7-12.3-176.3-62.3-71.1000113.9D44D44-Y47 PolarHBondContact OD1-N 2.67Å
48G76.9Confident90.5Very high55 Ų5568 Ų6857%0.56735%0.347SS*.  trans82.19.1177.300000114.9D44D44-G48 WeakPolarHBondContact O-CA 3.17Å; D44-G48 PolarHBondContact O-N 2.69Å
49G86.6Confident90.5Very high38 Ų3868.1 Ų68.139%0.39235%0.347SS..  trans-74.1145.217800000112.5D44D44-G49 PolarHBondContact N-O 3.46Å
50T91.8Very high90.6Very high55 Ų5564.3 Ų64.334%0.33733%0.333SS..EExtended strand (participates in β ladder)trans-132.9130.6172.1-51.30000109.9N42 I43 Y52 L62N42-T50 CarbonylContact O-C 3.56Å; N42-T50 VanDerWaalsContact O-CA 3.3Å; N42-T50 WeakPolarHBondContact O-CA 3.38Å; N42-T50 VanDerWaalsContact O-CG2 3.27Å; N42-T50 WeakPolarHBondContact O-CG2 2.95Å; I43-T50 HydrophobicContact CB-CG2 4.49Å; T50-Y52 HydrophobicContact CG2-CD2 4.05Å; T50-Y52 HydrophobicContact CG2-CE1 4.38Å; T50-Y52 HydrophobicContact CG2-CE2 3.3Å; T50-Y52 VanDerWaalsContact CG2-CZ 3.5Å; T50-L62 HydrophobicContact CG2-CB 4.01Å; T50-L62 HydrophobicContact CG2-CD1 4.08Å; T50-L62 HydrophobicContact CG2-CG 4.36Å
51S92.8Very high90.6Very high61 Ų6166.5 Ų66.543%0.42735%0.347SS..EExtended strand (participates in β ladder)trans-115.7149.8172.9-45.50000110.2G41 N42G41-S51 CarbonylContact C-O 3.58Å; G41-S51 WeakPolarHBondContact CA-O 3.39Å; N42-S51 PolarHBondContact N-O 2.87Å; N42-S51 PolarHBondContact O-N 2.8Å; N42-S51 WeakPolarHBondContact OD1-CB 3.47Å; N42-S51 PolarHBondContact OD1-OG 3.31Å
52Y94.9Very high90.6Very high61 Ų6166.9 Ų66.924%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-132.9146.1-179.5-67.4-89.7000110.4T50 A60 L62T50-Y52 HydrophobicContact CG2-CD2 4.05Å; T50-Y52 HydrophobicContact CG2-CE1 4.38Å; T50-Y52 HydrophobicContact CG2-CE2 3.3Å; T50-Y52 VanDerWaalsContact CG2-CZ 3.5Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 WeakPolarHBondContact CE1-O 3.01Å; Y52-L62 HydrophobicContact CE1-CD1 4.17Å; Y52-L62 HydrophobicContact CE1-CG 3.76Å; Y52-L62 PolarHBondContact OH-N 2.97Å
53N95.1Very high90.6Very high44 Ų4468.8 Ų68.824%0.23536%0.362CS..  trans-68.2138.1159.1-178.4-33.3000109.1W39 I40 K55 F56 R57W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.36Å; I40-N53 PolarHBondContact O-N 2.04Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 VanDerWaalsContact O-N 3.15Å; N53-K55 PolarHBondContact OD1-N 2.88Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.95Å; N53-R57 PolarHBondContact O-N 2.84Å; N53-R57 VanDerWaalsContact O-N 3.15Å
54Q94.5Very high90.6Very high170 Ų17070 Ų7079%0.79437%0.37SS*.G310 helixtrans-54.2-35.6-178.1-169.81715.600113F56 R57Q54-F56 PolarHBondContact O-N 2.85Å; Q54-R57 PolarHBondContact O-N 3Å
55K92.3Very high90.7Very high150 Ų15071.5 Ų71.565%0.65238%0.377SS*.G310 helixtrans-60.6-31.6177.2-66-171.1-172.3-179.60113.7E38 N53E38-K55 IonicContact OE1-NZ 2.85Å; E38-K55 PolarHBondContact OE1-NZ 3.07Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 VanDerWaalsContact O-N 3.15Å; N53-K55 PolarHBondContact OD1-N 2.88Å
56F94.6Very high90.8Very high10 Ų1076.7 Ų76.74%0.04440%0.4CS..G310 helixtrans-104.3-2.7-174.4-63.4-82.6000112.8K30 E38 I40 N53 Q54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.36Å; K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 3.9Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.15Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.06Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.04Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.95Å; Q54-F56 PolarHBondContact O-N 2.85Å; F56-G58 PolarHBondContact O-N 3.45Å; F56-K59 PolarHBondContact O-N 3.02Å; F56-K59 VanDerWaalsContact O-N 3.08Å; F56-A60 HydrophobicContact CB-CB 4.29Å; F56-A60 PolarHBondContact O-N 3.25Å
57R93.6Very high91.1Very high183 Ų18374.8 Ų74.869%0.69141%0.409SS*.BIsolated β-bridgetrans-63.3126.8176.6-166.8174.7-123.8163.11.1109.4N53 Q54 K59N53-R57 PolarHBondContact O-N 2.84Å; N53-R57 VanDerWaalsContact O-N 3.15Å; Q54-R57 PolarHBondContact O-N 3Å; R57-K59 PolarHBondContact O-N 3.14Å
58G92.3Very high91.4Very high71 Ų7167.6 Ų67.673%0.73239%0.387SS*.THydrogen-bonded Turntrans82.6-24.3-174.900000114.6F56F56-G58 PolarHBondContact O-N 3.45Å
59K95.1Very high91.8Very high43 Ų4366 Ų6619%0.18737%0.367CS..THydrogen-bonded Turntrans-82.4-46174.3-173.177.8178.4-161.80112.2F56 R57 K76 S77 D82F56-K59 PolarHBondContact O-N 3.02Å; F56-K59 VanDerWaalsContact O-N 3.08Å; R57-K59 PolarHBondContact O-N 3.14Å; K59-K76 WeakPolarHBondContact CD-O 3.47Å; K59-K76 WeakPolarHBondContact CE-O 3.33Å; K59-K76 PolarHBondContact NZ-O 3.02Å; K59-K76 PolarHBondContact O-N 3.15Å; K59-S77 PolarHBondContact NZ-O 3.13Å; K59-D82 WeakPolarHBondContact CE-OD2 3.35Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 2.93Å
60A96.4Very high91.9Very high3 Ų364.7 Ų64.73%0.02535%0.351CS..EExtended strand (participates in β ladder)trans-102.8143.8-178.600000111.3I40 Y52 F56 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 WeakPolarHBondContact CE1-O 3.01Å; F56-A60 HydrophobicContact CB-CB 4.29Å; F56-A60 PolarHBondContact O-N 3.25Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.28Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61T96.3Very high91.9Very high46 Ų4662 Ų6228%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-127119.5169-57.50000108.6T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-M73 CarbonylContact O-C 3.53Å; T61-M73 WeakPolarHBondContact O-CA 3.05Å; T61-Q74 PolarHBondContact N-O 3.28Å; T61-Q74 PolarHBondContact O-N 2.96Å
62L94.6Very high91.9Very high9 Ų961.8 Ų61.85%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-97.7132.8177.8-54.2-174.4000110.1R28 I43 T50 Y52 Y72 M73R28-L62 HydrophobicContact CB-CD2 4.31Å; R28-L62 HydrophobicContact CG-CD1 4.34Å; R28-L62 HydrophobicContact CG-CD2 3.62Å; I43-L62 HydrophobicContact CB-CB 4.34Å; T50-L62 HydrophobicContact CG2-CB 4.01Å; T50-L62 HydrophobicContact CG2-CD1 4.08Å; T50-L62 HydrophobicContact CG2-CG 4.36Å; Y52-L62 HydrophobicContact CE1-CD1 4.17Å; Y52-L62 HydrophobicContact CE1-CG 3.76Å; Y52-L62 PolarHBondContact OH-N 2.97Å; L62-Y72 WeakPolarHBondContact CA-O 3.24Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 3.97Å
63T92.7Very high91.9Very high64 Ų6458.9 Ų58.939%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-139.4160.6174.761.80000110.8T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.5Å; T63-A71 WeakPolarHBondContact O-CA 3.45Å; T63-Y72 PolarHBondContact N-O 3.33Å; T63-Y72 PolarHBondContact O-N 3.36Å
64V90.3Very high92Very high39 Ų3960.2 Ų60.224%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-134.5134.1175.4740000110I43 P45 K66 A71I43-V64 HydrophobicContact CD1-CB 4.13Å; I43-V64 HydrophobicContact CD1-CG1 4.13Å; P45-V64 HydrophobicContact CB-CG1 4.19Å; P45-V64 HydrophobicContact CB-CG2 4.28Å; P45-V64 HydrophobicContact CG-CG2 4.35Å; V64-K66 HydrophobicContact CG1-CG 4.34Å; V64-A71 HydrophobicContact CG2-CB 4.21Å
65D89.3Confident92.1Very high57 Ų5752.1 Ų52.131%0.30528%0.281SS..EExtended strand (participates in β ladder)trans-102.3106.6165.51765.4000108S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 3.22Å; D65-S67 PolarHBondContact OD1-OG 3.47Å; D65-S67 PolarHBondContact OD2-OG 3.17Å; D65-S68 WeakPolarHBondContact CB-OG 3.28Å; D65-S68 PolarHBondContact OD1-N 2.78Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; D65-S69 WeakPolarHBondContact O-CA 3.19Å; D65-S69 PolarHBondContact O-N 3.23Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 3.16Å; D65-T70 PolarHBondContact O-N 3.27Å; D65-Y72 HydrophobicContact CB-CE2 4.02Å
66K85.5Confident92.3Very high110 Ų11048.9 Ų48.948%0.47827%0.267SS..THydrogen-bonded Turntrans-68.3-32-178.6-58.6-175.7-172.9-166.90111.5T22 P45 V64 S69T22-K66 HydrophobicContact CG2-CB 4.44Å; T22-K66 HydrophobicContact CG2-CD 4.44Å; T22-K66 HydrophobicContact CG2-CG 4.47Å; P45-K66 WeakPolarHBondContact O-CE 3.5Å; P45-K66 PolarHBondContact O-NZ 2.86Å; V64-K66 HydrophobicContact CG1-CG 4.34Å; K66-S69 PolarHBondContact O-N 3.08Å
67S86.1Confident92.3Very high111 Ų11152.1 Ų52.178%0.77629%0.29SS*.THydrogen-bonded Turntrans-67.5-41.1-176.372.30000111.7D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 3.22Å; D65-S67 PolarHBondContact OD1-OG 3.47Å; D65-S67 PolarHBondContact OD2-OG 3.17Å
68S87.3Confident92.4Very high40 Ų4043.5 Ų43.528%0.2826%0.258SS..THydrogen-bonded Turntrans-93.80.5178660000113.6D65 T70D65-S68 WeakPolarHBondContact CB-OG 3.28Å; D65-S68 PolarHBondContact OD1-N 2.78Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.83Å; S68-T70 VanDerWaalsContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.17Å; S68-T70 PolarHBondContact OG-OG1 2.82Å
69S86.2Confident92.5Very high22 Ų2243 Ų4315%0.15424%0.24CC..THydrogen-bonded Turntrans43.154.5-169.5-71.10000110.9A16 F21 D65 K66A16-S69 PolarHBondContact N-O 2.82Å; A16-S69 VanDerWaalsContact N-O 3.13Å; F21-S69 WeakPolarHBondContact CD2-O 3.14Å; F21-S69 VanDerWaalsContact CE2-C 3.42Å; F21-S69 WeakPolarHBondContact CE2-O 3.38Å; D65-S69 WeakPolarHBondContact O-CA 3.19Å; D65-S69 PolarHBondContact O-N 3.23Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 3.08Å
70T89.4Confident92.4Very high9 Ų945.1 Ų45.16%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-128.7124.5179.5-54.10000110.1K15 D65 S68 Y72K15-T70 HydrophobicContact CB-CG2 4.33Å; D65-T70 PolarHBondContact N-O 3.16Å; D65-T70 PolarHBondContact O-N 3.27Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.83Å; S68-T70 VanDerWaalsContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.17Å; S68-T70 PolarHBondContact OG-OG1 2.82Å; T70-Y72 HydrophobicContact CG2-CD1 4.32Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
71A90.4Very high92.2Very high0 Ų052.2 Ų52.20%029%0.294CS..EExtended strand (participates in β ladder)trans-98.7143.3171.800000110.1S13 C14 F21 L26 R28 T63 V64S13-A71 CarbonylContact C-O 3.57Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 2.88Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; L26-A71 HydrophobicContact CD1-CB 3.55Å; R28-A71 PolarHBondContact NH2-O 3.15Å; T63-A71 CarbonylContact O-C 3.5Å; T63-A71 WeakPolarHBondContact O-CA 3.45Å; V64-A71 HydrophobicContact CG2-CB 4.21Å
72Y93.3Very high92Very high56 Ų5650.5 Ų50.522%0.2228%0.283CS..EExtended strand (participates in β ladder)trans-122.8148.2-179.7-55.8-86.9000110.9K11 I12 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; I12-Y72 CarbonylContact O-C 3.56Å; I12-Y72 VanDerWaalsContact O-CA 3.28Å; I12-Y72 WeakPolarHBondContact O-CA 2.87Å; L62-Y72 WeakPolarHBondContact CA-O 3.24Å; T63-Y72 PolarHBondContact N-O 3.33Å; T63-Y72 PolarHBondContact O-N 3.36Å; D65-Y72 HydrophobicContact CB-CE2 4.02Å; T70-Y72 HydrophobicContact CG2-CD1 4.32Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
73M95.8Very high92.1Very high0 Ų051.6 Ų51.60%029%0.291CS..EExtended strand (participates in β ladder)trans-126.9118.8167.7175.2171.673.300108K11 I12 R28 I40 T61 L62 L75 Y86K11-M73 WeakPolarHBondContact CA-O 3.28Å; I12-M73 HydrophobicContact CD1-CE 3.62Å; I12-M73 PolarHBondContact N-O 2.82Å; I12-M73 PolarHBondContact O-N 3Å; R28-M73 HydrophobicContact CB-SD 3.73Å; R28-M73 HydrophobicContact CG-CB 4.3Å; R28-M73 HydrophobicContact CG-SD 3.75Å; I40-M73 HydrophobicContact CD1-CE 3.9Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 4.08Å; T61-M73 CarbonylContact O-C 3.53Å; T61-M73 WeakPolarHBondContact O-CA 3.05Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 3.97Å; M73-L75 HydrophobicContact CE-CD1 4.29Å; M73-L75 HydrophobicContact CE-CG 4.42Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.45Å; M73-Y86 HydrophobicContact CE-CD1 3.4Å; M73-Y86 VanDerWaalsContact CE-CD1 3.4Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 3.9Å
74Q96.8Very high92.2Very high72 Ų7248.7 Ų48.734%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-97.3124.8170.9-169.9176.329.200109.2V10 A60 T61 K76V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.28Å; T61-Q74 PolarHBondContact N-O 3.28Å; T61-Q74 PolarHBondContact O-N 2.96Å; Q74-K76 HydrophobicContact CG-CG 4.42Å
75L96.4Very high92.5Very high0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-102.8131.6170.1-64.5167.3000108.2S9 V10 I12 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.33Å; S9-L75 WeakPolarHBondContact CB-O 3.19Å; V10-L75 HydrophobicContact CG1-CB 4.14Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.94Å; V10-L75 PolarHBondContact O-N 2.88Å; I12-L75 HydrophobicContact CD1-CD1 4Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 4.29Å; M73-L75 HydrophobicContact CE-CG 4.42Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.37Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CD2 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 3.9Å
76K96.1Very high92.9Very high82 Ų8245.8 Ų45.836%0.35726%0.258SS..  trans-109.9155-177.5-62.5-179.3-177.8176.40111.8S9 K59 Q74 L78S9-K76 WeakPolarHBondContact OG-CA 3.38Å; K59-K76 WeakPolarHBondContact CD-O 3.47Å; K59-K76 WeakPolarHBondContact CE-O 3.33Å; K59-K76 PolarHBondContact NZ-O 3.02Å; K59-K76 PolarHBondContact O-N 3.15Å; Q74-K76 HydrophobicContact CG-CG 4.42Å; K76-L78 VanDerWaalsContact C-N 3.33Å; K76-L78 PolarHBondContact O-N 2.94Å
77S95.3Very high93.3Very high78 Ų7842.8 Ų42.855%0.54524%0.244SC..SBendtrans51.950172.2-53.40000112.4A8 K59A8-S77 PolarHBondContact O-N 3.44Å; A8-S77 VanDerWaalsContact O-N 3.14Å; K59-S77 PolarHBondContact NZ-O 3.13Å
78L95.3Very high93.6Very high2 Ų238.3 Ų38.31%0.0121%0.212CC..  trans-55.1141.6-172.2-72.5172.5000112.7E4 P6 G7 A8 V10 L75 K76 D82 V108E4-L78 HydrophobicContact CB-CD1 3.71Å; E4-L78 HydrophobicContact CG-CD1 3.85Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; G7-L78 PolarHBondContact N-O 2.85Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.37Å; K76-L78 VanDerWaalsContact C-N 3.33Å; K76-L78 PolarHBondContact O-N 2.94Å; L78-D82 WeakPolarHBondContact CA-OD2 3.15Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; L78-V108 HydrophobicContact CB-CG1 4.31Å; L78-V108 HydrophobicContact CB-CG2 3.94Å; L78-V108 HydrophobicContact CD1-CG2 4.24Å; L78-V108 HydrophobicContact CD2-CG2 4.49Å; L78-V108 HydrophobicContact CG-CG2 4.46Å
79T94.4Very high93.7Very high59 Ų5936.4 Ų36.436%0.36220%0.199SC..  trans-121.7168.4172.665.30000110E81 D82 V108T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact OG1-OD2 2.82Å; T79-V108 WeakPolarHBondContact O-CB 3.33Å; T79-V108 WeakPolarHBondContact O-CG2 3.38Å
80S92.5Very high93.8Very high88 Ų8836.9 Ų36.962%0.61520%0.197SC*.G310 helixtrans-54.6-32.3175.8520000112.6D82 S83S80-D82 PolarHBondContact O-N 2.84Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.14Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.95Å
81E91.4Very high93.3Very high153 Ų15338 Ų3872%0.71520%0.203SC*.G310 helixtrans-66-19.6176.4-60-176171.900113.7K30 T79 S83K30-E81 PolarHBondContact NZ-O 3Å; T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.14Å; E81-S83 PolarHBondContact O-N 3.44Å
82D93.8Very high92.4Very high10 Ų1039.4 Ų39.45%0.05321%0.21CC..G310 helixtrans-79.3-4.7174.5-63.6-50.5000112.9K30 K59 L78 T79 S80 A84 Y86 V108K30-D82 IonicContact NZ-OD1 3.83Å; K59-D82 WeakPolarHBondContact CE-OD2 3.35Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 2.93Å; L78-D82 WeakPolarHBondContact CA-OD2 3.15Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact OG1-OD2 2.82Å; S80-D82 PolarHBondContact O-N 2.84Å; D82-A84 PolarHBondContact O-N 2.94Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.84Å; D82-V108 HydrophobicContact CB-CG2 4.38Å
83S95.1Very high91Very high31 Ų3140.2 Ų40.222%0.21724%0.235CC..  trans-65.9110.2173.6-56.30000110.7S80 E81 V106 V108S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.14Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.95Å; E81-S83 PolarHBondContact O-N 3.44Å; S83-V106 CarbonylContact C-O 3.44Å; S83-V106 VanDerWaalsContact CA-O 3.29Å; S83-V106 WeakPolarHBondContact CA-O 3.35Å; S83-V108 PolarHBondContact OG-N 3.36Å
84A96.2Very high89.5Confident3 Ų346.4 Ų46.43%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-166.2172-170.800000111.4K30 Q31 D82 Y86 V106K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.01Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; D82-A84 PolarHBondContact O-N 2.94Å; D82-A84 VanDerWaalsContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.87Å; A84-V106 PolarHBondContact N-O 2.78Å; A84-V106 PolarHBondContact O-N 2.96Å
85V96.3Very high88.1Confident32 Ų3252.4 Ų52.419%0.19429%0.289CS..EExtended strand (participates in β ladder)trans-95.1127.8162.5-171.50000108.9Q31 Y87 T104Q31-V85 PolarHBondContact N-O 3.47Å; Q31-V85 PolarHBondContact O-N 3.13Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.47Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.82Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; V85-T104 WeakPolarHBondContact CA-O 3.42Å
86Y96.3Very high86.9Confident4 Ų454 Ų542%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-106.2123.3179.7-69.8-87.2000110.4I12 V29 K30 I40 M73 L75 D82 A84 G103 T104 V106I12-Y86 HydrophobicContact CD1-CD1 4.42Å; I12-Y86 HydrophobicContact CD1-CD2 3.97Å; I12-Y86 HydrophobicContact CD1-CG 3.8Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.02Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å; M73-Y86 HydrophobicContact CE-CD1 3.4Å; M73-Y86 VanDerWaalsContact CE-CD1 3.4Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 3.9Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CD2 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 3.9Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.87Å; Y86-G103 CarbonylContact O-C 3.52Å; Y86-G103 VanDerWaalsContact O-CA 3.31Å; Y86-G103 WeakPolarHBondContact O-CA 3.42Å; Y86-T104 PolarHBondContact N-O 3.24Å; Y86-T104 PolarHBondContact O-N 2.78Å; Y86-V106 HydrophobicContact CD2-CB 4.04Å; Y86-V106 HydrophobicContact CD2-CG2 3.69Å; Y86-V106 HydrophobicContact CE2-CB 3.86Å; Y86-V106 HydrophobicContact CE2-CG2 3.93Å
87Y94.6Very high86Confident47 Ų4753.4 Ų53.418%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-109.1150.3-178.3-59.7-84.9000111.3R28 V29 Q31 V85 W100 G101 G103R28-Y87 WeakPolarHBondContact CA-O 3.37Å; V29-Y87 PolarHBondContact N-O 3.22Å; V29-Y87 PolarHBondContact O-N 3.21Å; Q31-Y87 HydrophobicContact CB-CD2 4.28Å; Q31-Y87 HydrophobicContact CB-CE2 3.65Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.27Å; Q31-Y87 PolarHBondContact OE1-OH 2.91Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.47Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.82Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W100 HydrophobicContact CD1-CE3 4.41Å; Y87-W100 HydrophobicContact CD2-CZ3 4.48Å; Y87-W100 HydrophobicContact CG-CE3 4.02Å; Y87-W100 HydrophobicContact CG-CZ3 4.23Å; Y87-G101 WeakPolarHBondContact CD1-O 3.3Å; Y87-G103 VanDerWaalsContact CD1-CA 3.42Å
88C92.3Very high85.1Confident17 Ų1753.8 Ų53.812%0.11530%0.298CS..EExtended strand (participates in β ladder)trans-103.9137.515958.50000109.3C14 N27 W100 G101C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.11Å; N27-C88 WeakPolarHBondContact O-CA 3.09Å; C88-W100 WeakPolarHBondContact O-CA 3.27Å; C88-G101 PolarHBondContact O-N 3.44Å
89A90.6Very high84.6Confident0 Ų060.1 Ų60.10%032%0.322CS..EExtended strand (participates in β ladder)trans-130.2133.4176.100000110.3N27 M97 Y99 W100N27-A89 HydrophobicContact CB-CB 4.31Å; N27-A89 PolarHBondContact N-O 3.1Å; N27-A89 PolarHBondContact O-N 3.29Å; A89-M97 HydrophobicContact CB-CB 4.28Å; A89-M97 HydrophobicContact CB-CG 4.38Å; A89-M97 HydrophobicContact CB-SD 3.99Å; A89-Y99 CarbonylContact C-O 3.53Å; A89-Y99 VanDerWaalsContact CA-O 3.25Å; A89-Y99 WeakPolarHBondContact CA-O 3.37Å; A89-W100 HydrophobicContact CB-CD2 3.76Å; A89-W100 HydrophobicContact CB-CE3 4.06Å; A89-W100 HydrophobicContact CB-CG 4.23Å; A89-W100 HydrophobicContact CB-CH2 4.25Å; A89-W100 HydrophobicContact CB-CZ2 3.96Å; A89-W100 HydrophobicContact CB-CZ3 4.3Å
90R86.8Confident84.3Confident31 Ų3162.4 Ų62.412%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-84.1129.3175.4-169.6-172.781177.28.2109Y24 M97 D98 Y99Y24-R90 HydrophobicContact CD1-CG 4.06Å; Y24-R90 HydrophobicContact CD2-CG 4.44Å; Y24-R90 HydrophobicContact CG-CG 3.78Å; R90-M97 WeakPolarHBondContact O-CA 3.35Å; R90-D98 PolarHBondContact O-N 2.81Å; R90-Y99 PolarHBondContact N-O 2.93Å
91L79.8Confident84.2Confident33 Ų3359.5 Ų59.517%0.17331%0.309CS..EExtended strand (participates in β ladder)trans-95126.4166.7-162.174.8000109N25 Y95 A96 M97N25-L91 HydrophobicContact CB-CB 3.89Å; N25-L91 HydrophobicContact CB-CD2 4.17Å; N25-L91 PolarHBondContact O-N 3.26Å; L91-Y95 VanDerWaalsContact CD1-O 3.28Å; L91-Y95 WeakPolarHBondContact CD1-O 3.44Å; L91-Y95 HydrophobicContact CD2-CD1 4.39Å; L91-A96 WeakPolarHBondContact CA-O 3Å; L91-M97 HydrophobicContact CD1-CG 3.98Å
92D71.1Confident84.2Confident30 Ų3061.4 Ų61.416%0.1632%0.318CS..  trans-86.9178.2169.689.5-25.4000111.5N94 Y95 A96 D98D92-N94 PolarHBondContact O-N 3.11Å; D92-N94 VanDerWaalsContact O-N 3.13Å; D92-N94 WeakPolarHBondContact OD1-CA 3.44Å; D92-N94 WeakPolarHBondContact OD1-CB 3.38Å; D92-N94 PolarHBondContact OD1-N 2.81Å; D92-N94 PolarHBondContact OD2-ND2 3.34Å; D92-Y95 PolarHBondContact O-N 3.02Å; D92-Y95 PolarHBondContact OD1-N 2.61Å; D92-A96 PolarHBondContact N-O 3.16Å; D92-A96 PolarHBondContact OD1-N 3.21Å; D92-A96 VanDerWaalsContact OD1-N 3.16Å; D92-D98 VanDerWaalsContact CG-OD2 3.31Å
93G64.3Low84.1Confident72 Ų7262.2 Ų62.274%0.74233%0.328SS*.THydrogen-bonded Turntrans-64.8-10.6-179.900000115
94N65.1Low84.2Confident130 Ų13062.7 Ų62.770%0.69533%0.33SS*.THydrogen-bonded Turntrans-97.912.1178.5-59-60.1000112.7D92 A96D92-N94 PolarHBondContact O-N 3.11Å; D92-N94 VanDerWaalsContact O-N 3.13Å; D92-N94 WeakPolarHBondContact OD1-CA 3.44Å; D92-N94 WeakPolarHBondContact OD1-CB 3.38Å; D92-N94 PolarHBondContact OD1-N 2.81Å; D92-N94 PolarHBondContact OD2-ND2 3.34Å; N94-A96 PolarHBondContact O-N 3.01Å
95Y66.7Low84.2Confident198 Ų19864.7 Ų64.778%0.77634%0.344SS*.SBendtrans63.618.3-176.5-51.7-83.7000114.3L91 D92L91-Y95 VanDerWaalsContact CD1-O 3.28Å; L91-Y95 WeakPolarHBondContact CD1-O 3.44Å; L91-Y95 HydrophobicContact CD2-CD1 4.39Å; D92-Y95 PolarHBondContact O-N 3.02Å; D92-Y95 PolarHBondContact OD1-N 2.61Å
96A71.8Confident84.1Confident33 Ų3363.2 Ų63.227%0.27334%0.335SS..  trans-93.7136.3178.600000110.8L91 D92 N94 D98L91-A96 WeakPolarHBondContact CA-O 3Å; D92-A96 PolarHBondContact N-O 3.16Å; D92-A96 PolarHBondContact OD1-N 3.21Å; D92-A96 VanDerWaalsContact OD1-N 3.16Å; N94-A96 PolarHBondContact O-N 3.01Å; A96-D98 VanDerWaalsContact C-N 3.3Å; A96-D98 WeakPolarHBondContact CB-OD1 3.29Å; A96-D98 PolarHBondContact O-N 2.92Å
97M77.4Confident84.1Confident70 Ų7066 Ų6635%0.34535%0.352SS..  trans-88.868.8175-67.9-168.9-166.900109.8N27 A89 R90 L91 Y99 W100N27-M97 HydrophobicContact CB-CE 4.11Å; N27-M97 HydrophobicContact CB-SD 4.38Å; A89-M97 HydrophobicContact CB-CB 4.28Å; A89-M97 HydrophobicContact CB-CG 4.38Å; A89-M97 HydrophobicContact CB-SD 3.99Å; R90-M97 WeakPolarHBondContact O-CA 3.35Å; L91-M97 HydrophobicContact CD1-CG 3.98Å; M97-Y99 VanDerWaalsContact C-N 3.35Å; M97-Y99 PolarHBondContact O-N 3.14Å; M97-W100 HydrophobicContact CB-CZ2 4.1Å; M97-W100 PolarHBondContact O-NE1 3.45Å; M97-W100 HydrophobicContact SD-CH2 4.31Å; M97-W100 HydrophobicContact SD-CZ2 3.8Å
98D75.9Confident84Confident86 Ų8664.1 Ų64.146%0.4635%0.346SS..  trans-76.9-21.8-166.5-56.8-36.3000114R90 D92 A96R90-D98 PolarHBondContact O-N 2.81Å; D92-D98 VanDerWaalsContact CG-OD2 3.31Å; A96-D98 VanDerWaalsContact C-N 3.3Å; A96-D98 WeakPolarHBondContact CB-OD1 3.29Å; A96-D98 PolarHBondContact O-N 2.92Å
99Y84Confident83.8Confident136 Ų13665.9 Ų65.953%0.53336%0.358SS..EExtended strand (participates in β ladder)trans-128.1123.8-177.1-68.3-91.5000111.3A89 R90 M97A89-Y99 CarbonylContact C-O 3.53Å; A89-Y99 VanDerWaalsContact CA-O 3.25Å; A89-Y99 WeakPolarHBondContact CA-O 3.37Å; R90-Y99 PolarHBondContact N-O 2.93Å; M97-Y99 VanDerWaalsContact C-N 3.35Å; M97-Y99 PolarHBondContact O-N 3.14Å
100W88.8Confident83Confident106 Ų10674.1 Ų74.140%0.40242%0.416SS..EExtended strand (participates in β ladder)trans-115.5137.4177.9-68.769.3000110V29 L37 Y87 C88 A89 M97V29-W100 HydrophobicContact CB-CH2 4.08Å; V29-W100 HydrophobicContact CB-CZ3 3.84Å; V29-W100 HydrophobicContact CG1-CH2 4.02Å; V29-W100 HydrophobicContact CG1-CZ3 3.98Å; V29-W100 HydrophobicContact CG2-CH2 3.75Å; V29-W100 HydrophobicContact CG2-CZ3 3.93Å; L37-W100 HydrophobicContact CD1-CH2 3.94Å; L37-W100 HydrophobicContact CD1-CZ3 4.34Å; Y87-W100 HydrophobicContact CD1-CE3 4.41Å; Y87-W100 HydrophobicContact CD2-CZ3 4.48Å; Y87-W100 HydrophobicContact CG-CE3 4.02Å; Y87-W100 HydrophobicContact CG-CZ3 4.23Å; C88-W100 WeakPolarHBondContact O-CA 3.27Å; A89-W100 HydrophobicContact CB-CD2 3.76Å; A89-W100 HydrophobicContact CB-CE3 4.06Å; A89-W100 HydrophobicContact CB-CG 4.23Å; A89-W100 HydrophobicContact CB-CH2 4.25Å; A89-W100 HydrophobicContact CB-CZ2 3.96Å; A89-W100 HydrophobicContact CB-CZ3 4.3Å; M97-W100 HydrophobicContact CB-CZ2 4.1Å; M97-W100 PolarHBondContact O-NE1 3.45Å; M97-W100 HydrophobicContact SD-CH2 4.31Å; M97-W100 HydrophobicContact SD-CZ2 3.8Å
101G89.6Confident82.8Confident28 Ų2876.3 Ų76.329%0.28943%0.43SS..  trans-68163.2167.100000111.3Y87 C88 G103Y87-G101 WeakPolarHBondContact CD1-O 3.3Å; C88-G101 PolarHBondContact O-N 3.44Å; G101-G103 PolarHBondContact O-N 2.63Å
102Q91.6Very high83Confident193 Ų19378.5 Ų78.590%0.90244%0.444SS*.  trans-59.6-16.5178.1-69.1-71.7-32.100114
103G93Very high83.6Confident27 Ų2781.2 Ų81.228%0.27846%0.46SS..  trans85.9151.1-176.600000112.5Y86 Y87 G101Y86-G103 CarbonylContact O-C 3.52Å; Y86-G103 VanDerWaalsContact O-CA 3.31Å; Y86-G103 WeakPolarHBondContact O-CA 3.42Å; Y87-G103 VanDerWaalsContact CD1-CA 3.42Å; G101-G103 PolarHBondContact O-N 2.63Å
104T95.7Very high84.8Confident41 Ų4181.8 Ų81.825%0.25244%0.443SS..EExtended strand (participates in β ladder)trans-119.5117173.6-60.10000108.5I12 V85 Y86I12-T104 HydrophobicContact CG1-CG2 4.45Å; I12-T104 HydrophobicContact CG2-CG2 4.26Å; V85-T104 WeakPolarHBondContact CA-O 3.42Å; Y86-T104 PolarHBondContact N-O 3.24Å; Y86-T104 PolarHBondContact O-N 2.78Å
105S95.9Very high86Confident45 Ų4578.8 Ų78.832%0.31543%0.427SS..EExtended strand (participates in β ladder)trans-74.8124.6172.4174.80000109.6P1 E2P1-S105 CarbonylContact C-O 3.55Å; P1-S105 WeakPolarHBondContact CA-O 3.14Å; E2-S105 PolarHBondContact N-O 3.27Å
106V95.6Very high87.3Confident1 Ų170.8 Ų70.81%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-113.7131169.8178.60000107.3E2 V10 I12 S83 A84 Y86 V108E2-V106 HydrophobicContact CB-CG2 4.36Å; E2-V106 CarbonylContact O-C 3.5Å; E2-V106 WeakPolarHBondContact O-CA 3.3Å; V10-V106 HydrophobicContact CG1-CG1 4.34Å; V10-V106 HydrophobicContact CG1-CG2 4.38Å; I12-V106 HydrophobicContact CD1-CG2 3.97Å; I12-V106 HydrophobicContact CG1-CG2 4.35Å; S83-V106 CarbonylContact C-O 3.44Å; S83-V106 VanDerWaalsContact CA-O 3.29Å; S83-V106 WeakPolarHBondContact CA-O 3.35Å; A84-V106 PolarHBondContact N-O 2.78Å; A84-V106 PolarHBondContact O-N 2.96Å; Y86-V106 HydrophobicContact CD2-CB 4.04Å; Y86-V106 HydrophobicContact CD2-CG2 3.69Å; Y86-V106 HydrophobicContact CE2-CB 3.86Å; Y86-V106 HydrophobicContact CE2-CG2 3.93Å; V106-V108 HydrophobicContact CG1-CG2 4.37Å
107T95.4Very high88.4Confident61 Ų6173.5 Ų73.537%0.37441%0.414SS..EExtended strand (participates in β ladder)trans-123.5127.8176.5-57.70000108.6E2 L3 E4E2-T107 PolarHBondContact O-N 2.97Å; L3-T107 WeakPolarHBondContact CA-O 3.29Å; L3-T107 HydrophobicContact CD1-CG2 3.99Å; E4-T107 PolarHBondContact N-O 2.8Å
108V93.7Very high89.3Confident9 Ų973.8 Ų73.86%0.05542%0.419CS..EExtended strand (participates in β ladder)trans-111.1107.7178.3-173.40000108.2E4 P6 L78 T79 D82 S83 V106E4-V108 WeakPolarHBondContact O-CA 2.95Å; P6-V108 HydrophobicContact CG-CG1 4.11Å; L78-V108 HydrophobicContact CB-CG1 4.31Å; L78-V108 HydrophobicContact CB-CG2 3.94Å; L78-V108 HydrophobicContact CD1-CG2 4.24Å; L78-V108 HydrophobicContact CD2-CG2 4.49Å; L78-V108 HydrophobicContact CG-CG2 4.46Å; T79-V108 WeakPolarHBondContact O-CB 3.33Å; T79-V108 WeakPolarHBondContact O-CG2 3.38Å; D82-V108 HydrophobicContact CB-CG2 4.38Å; S83-V108 PolarHBondContact OG-N 3.36Å; V106-V108 HydrophobicContact CG1-CG2 4.37Å
109S88.3Confident90.4Very high54 Ų5472.8 Ų72.838%0.37842%0.415SS..  trans-104.8129.9-176.860.60000111.4E4 P6E4-S109 PolarHBondContact O-N 2.89Å; E4-S109 VanDerWaalsContact O-N 3.11Å; P6-S109 WeakPolarHBondContact CD-O 3.19Å
110S73.1Confident91Very high172 Ų17267 Ų67100%1.20341%0.405SS*.  trans-60.90172.255.20000113

Retrieved 110 of 110 residues in 24.2 ms (Link to these results)

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