X5J4E7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E7, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 101 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
1S97.3Very high94.5Very high109 Ų10967.7 Ų67.776%0.76244%0.439SS*.  0166.8049.60000108.9L59S1-L59 CarbonylContact C-O 3.59Å; S1-L59 WeakPolarHBondContact CA-O 3.32Å
2C97.9Very high94.4Very high19 Ų1968.4 Ų68.413%0.12843%0.427CS..EExtended strand (participates in β ladder)trans-140.7111.8174.9166.60000108.9W16 T58 L59 C76C2-W16 HydrophobicContact CB-CH2 3.8Å; C2-W16 HydrophobicContact CB-CZ2 4.03Å; C2-T58 CarbonylContact O-C 3.57Å; C2-T58 WeakPolarHBondContact O-CA 3.32Å; C2-L59 HydrophobicContact CB-CB 4.4Å; C2-L59 PolarHBondContact N-O 3.27Å; C2-L59 PolarHBondContact O-N 3.32Å; C2-C76 HydrophobicContact CB-CB 3.35Å; C2-C76 WeakPolarHBondContact CB-SG 3.27Å; C2-C76 WeakPolarHBondContact SG-CB 3.47Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.05Å
3A97.5Very high94.4Very high75 Ų7568.3 Ų68.362%0.6241%0.414SS*.EExtended strand (participates in β ladder)trans-85.1128.3174.100000109.1
4A94.9Very high94.6Very high16 Ų1663.7 Ų63.713%0.13239%0.386CS..  trans-83.7143.9174.300000110.7F7 L9 N57A4-F7 HydrophobicContact CB-CD2 4.46Å; A4-F7 HydrophobicContact CB-CE1 3.89Å; A4-F7 HydrophobicContact CB-CE2 3.84Å; A4-F7 HydrophobicContact CB-CZ 3.52Å; A4-L9 HydrophobicContact CB-CB 4.3Å; A4-L9 HydrophobicContact CB-CD1 3.95Å; A4-N57 PolarHBondContact N-O 2.98Å; A4-N57 PolarHBondContact O-ND2 2.82Å
5S93.9Very high94.8Very high104 Ų10459.5 Ų59.573%0.72736%0.36SS*.  trans-13414117460.60000109.5F7S5-F7 VanDerWaalsContact C-N 3.31Å
6G92.4Very high95Very high93 Ų9356.4 Ų56.496%0.95934%0.34SS*.SBendtrans85.9-4.7-179.800000115
7F91.7Very high95.2Very high37 Ų3753.2 Ų53.216%0.16232%0.321CS..SBendtrans-151.1159.8170.966.5-85.5000111.5A4 S5 L9 Y12 M14 N57 R78A4-F7 HydrophobicContact CB-CD2 4.46Å; A4-F7 HydrophobicContact CB-CE1 3.89Å; A4-F7 HydrophobicContact CB-CE2 3.84Å; A4-F7 HydrophobicContact CB-CZ 3.52Å; S5-F7 VanDerWaalsContact C-N 3.31Å; F7-L9 HydrophobicContact CE2-CB 4.37Å; F7-Y12 HydrophobicContact CB-CE2 4.29Å; F7-Y12 AromaticContact CD2-CD2 3.77Å; F7-Y12 HydrophobicContact CD2-CD2 3.77Å; F7-Y12 HydrophobicContact CD2-CE2 4.09Å; F7-Y12 HydrophobicContact CE2-CD2 4.36Å; F7-M14 HydrophobicContact CE2-CE 4.5Å; F7-M14 HydrophobicContact CE2-SD 4Å; F7-M14 HydrophobicContact CZ-CE 4.22Å; F7-M14 HydrophobicContact CZ-SD 4.26Å; F7-N57 PolarHBondContact O-ND2 3.02Å; F7-R78 HydrophobicContact CZ-CB 4.47Å
8D93.9Very high95.3Very high64 Ų6451.3 Ų51.334%0.34231%0.307SS..  trans-89107.9174176.44.7000109.8S10 R11 Y12D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.27Å; D8-S10 PolarHBondContact OD1-N 3.29Å; D8-S10 PolarHBondContact OD1-OG 2.95Å; D8-S10 PolarHBondContact OD2-OG 3.07Å; D8-R11 HydrophobicContact CB-CG 4.41Å; D8-R11 PolarHBondContact O-N 2.96Å; D8-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 IonicContact OD2-NE 3.59Å; D8-Y12 VanDerWaalsContact O-CD2 3.27Å; D8-Y12 WeakPolarHBondContact O-CD2 3.46Å
9L93Very high95.5Very high0 Ų052.1 Ų52.10%031%0.307CS..G310 helixtrans-57.6-30.3-178.6-161160.7000110.6A4 F7 R11 Y12 M14 R52 N57 L59A4-L9 HydrophobicContact CB-CB 4.3Å; A4-L9 HydrophobicContact CB-CD1 3.95Å; F7-L9 HydrophobicContact CE2-CB 4.37Å; L9-R11 PolarHBondContact O-N 3.23Å; L9-Y12 PolarHBondContact O-N 3.27Å; L9-Y12 VanDerWaalsContact O-O 3.09Å; L9-M14 HydrophobicContact CD1-CE 4.31Å; L9-M14 HydrophobicContact CD1-CG 4.1Å; L9-M14 HydrophobicContact CD1-SD 4.46Å; L9-M14 HydrophobicContact CD2-CB 4.42Å; L9-M14 HydrophobicContact CD2-CG 3.38Å; L9-M14 HydrophobicContact CD2-SD 4.43Å; L9-M14 HydrophobicContact CG-CE 4.42Å; L9-M14 HydrophobicContact CG-CG 3.52Å; L9-M14 HydrophobicContact CG-SD 3.94Å; L9-R52 PolarHBondContact O-NH2 3.1Å; L9-N57 WeakPolarHBondContact CB-OD1 3.48Å; L9-N57 PolarHBondContact N-OD1 2.9Å; L9-L59 HydrophobicContact CD1-CB 4.23Å
10S93.9Very high95.5Very high42 Ų4250.7 Ų50.729%0.29430%0.302SS..G310 helixtrans-59.6-13.2178.482.50000114.8D8 P33D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.27Å; D8-S10 PolarHBondContact OD1-N 3.29Å; D8-S10 PolarHBondContact OD1-OG 2.95Å; D8-S10 PolarHBondContact OD2-OG 3.07Å; S10-P33 VanDerWaalsContact O-CB 3.32Å; S10-P33 WeakPolarHBondContact O-CB 3.33Å
11R93Very high95.6Very high186 Ų18653.2 Ų53.270%0.70232%0.32SS*.G310 helixtrans-98.4-10.5178.7-60.2-177178.7-160.7-6.2113.9D8 L9D8-R11 HydrophobicContact CB-CG 4.41Å; D8-R11 PolarHBondContact O-N 2.96Å; D8-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 IonicContact OD2-NE 3.59Å; L9-R11 PolarHBondContact O-N 3.23Å
12Y93.2Very high95.5Very high76 Ų7652.3 Ų52.330%0.29833%0.328SS..SBendtrans-124150.3-171.4-58-81.9000111.8F7 D8 L9 R52 R78F7-Y12 HydrophobicContact CB-CE2 4.29Å; F7-Y12 AromaticContact CD2-CD2 3.77Å; F7-Y12 HydrophobicContact CD2-CD2 3.77Å; F7-Y12 HydrophobicContact CD2-CE2 4.09Å; F7-Y12 HydrophobicContact CE2-CD2 4.36Å; D8-Y12 VanDerWaalsContact O-CD2 3.27Å; D8-Y12 WeakPolarHBondContact O-CD2 3.46Å; L9-Y12 PolarHBondContact O-N 3.27Å; L9-Y12 VanDerWaalsContact O-O 3.09Å; Y12-R52 PolarHBondContact O-NH1 3.14Å; Y12-R78 HydrophobicContact CD1-CG 4.4Å; Y12-R78 HydrophobicContact CG-CG 4.25Å
13W95.3Very high95.5Very high67 Ų6758.4 Ų58.425%0.25435%0.352SS..  trans-63.9153.6157.1-73.670.4000108.6E30 I31 N32 T37 P79W13-E30 HydrophobicContact CE3-CB 4.31Å; W13-E30 VanDerWaalsContact CE3-CD 3.42Å; W13-E30 HydrophobicContact CE3-CG 3.51Å; W13-E30 HydrophobicContact CZ3-CG 3.65Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.38Å; W13-I31 WeakPolarHBondContact CA-O 3.29Å; W13-N32 HydrophobicContact CD2-CB 3.65Å; W13-N32 HydrophobicContact CE3-CB 3.89Å; W13-N32 HydrophobicContact CG-CB 4.36Å; W13-N32 HydrophobicContact CH2-CB 3.71Å; W13-N32 HydrophobicContact CZ2-CB 3.43Å; W13-N32 VanDerWaalsContact CZ2-CB 3.43Å; W13-N32 HydrophobicContact CZ3-CB 3.92Å; W13-T37 HydrophobicContact CH2-CG2 3.94Å; W13-T37 HydrophobicContact CZ3-CG2 4.49Å; W13-P79 HydrophobicContact CB-CG 3.64Å; W13-P79 VanDerWaalsContact O-CD 3.31Å; W13-P79 WeakPolarHBondContact O-CD 3.04Å
14M96.8Very high95.4Very high4 Ų457.4 Ų57.42%0.0235%0.349CS..EExtended strand (participates in β ladder)trans-140.4136.8178.2-68.4-58.3-62.600110.1F7 L9 E30 I31 L59 R78F7-M14 HydrophobicContact CE2-CE 4.5Å; F7-M14 HydrophobicContact CE2-SD 4Å; F7-M14 HydrophobicContact CZ-CE 4.22Å; F7-M14 HydrophobicContact CZ-SD 4.26Å; L9-M14 HydrophobicContact CD1-CE 4.31Å; L9-M14 HydrophobicContact CD1-CG 4.1Å; L9-M14 HydrophobicContact CD1-SD 4.46Å; L9-M14 HydrophobicContact CD2-CB 4.42Å; L9-M14 HydrophobicContact CD2-CG 3.38Å; L9-M14 HydrophobicContact CD2-SD 4.43Å; L9-M14 HydrophobicContact CG-CE 4.42Å; L9-M14 HydrophobicContact CG-CG 3.52Å; L9-M14 HydrophobicContact CG-SD 3.94Å; M14-E30 CarbonylContact O-C 3.5Å; M14-E30 WeakPolarHBondContact O-CA 3.32Å; M14-E30 WeakPolarHBondContact O-CB 3.34Å; M14-I31 HydrophobicContact CB-CG2 4.37Å; M14-I31 PolarHBondContact N-O 2.99Å; M14-I31 PolarHBondContact O-N 3.22Å; M14-L59 HydrophobicContact CB-CD1 3.72Å; M14-L59 HydrophobicContact CB-CD2 3.83Å; M14-L59 HydrophobicContact CB-CG 4.34Å; M14-L59 HydrophobicContact CG-CD1 4.49Å; M14-R78 HydrophobicContact CE-CB 4.43Å; M14-R78 HydrophobicContact SD-CB 4.05Å; M14-R78 HydrophobicContact SD-CG 4.14Å
15S97.3Very high95.4Very high0 Ų061.3 Ų61.30%037%0.367CS..EExtended strand (participates in β ladder)trans-115.2155.4-176.2-51.50000112.2G29 E30 C76 A77S15-G29 CarbonylContact C-O 3.59Å; S15-G29 VanDerWaalsContact CA-O 3.27Å; S15-G29 WeakPolarHBondContact CA-O 3.3Å; S15-E30 WeakPolarHBondContact OG-CB 3.34Å; S15-C76 CarbonylContact O-C 3.4Å; S15-C76 WeakPolarHBondContact O-CA 3.46Å; S15-A77 PolarHBondContact N-O 3.39Å; S15-A77 PolarHBondContact O-N 3.31Å
16W98.1Very high95.6Very high10 Ų1059.5 Ų59.54%0.03835%0.347CS..EExtended strand (participates in β ladder)trans-111139.4160.8-75.998.2000110C2 I28 G29 L59 Y60 L61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.8Å; C2-W16 HydrophobicContact CB-CZ2 4.03Å; W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.18Å; W16-I28 WeakPolarHBondContact O-CB 3.24Å; W16-I28 PolarHBondContact O-N 2.89Å; W16-G29 PolarHBondContact N-O 2.75Å; W16-L59 HydrophobicContact CD2-CD2 4.29Å; W16-L59 HydrophobicContact CG-CD2 4.32Å; W16-L59 HydrophobicContact CZ2-CB 4.47Å; W16-L59 HydrophobicContact CZ2-CD2 4.08Å; W16-L59 HydrophobicContact CZ2-CG 4.2Å; W16-L59 VanDerWaalsContact NE1-CG 3.34Å; W16-Y60 PolarHBondContact NE1-O 3.13Å; W16-Y60 VanDerWaalsContact NE1-O 3.1Å; W16-L61 HydrophobicContact CB-CD1 4.26Å; W16-L61 HydrophobicContact CB-CD2 4.25Å; W16-L61 HydrophobicContact CD2-CB 3.78Å; W16-L61 HydrophobicContact CD2-CD1 4.44Å; W16-L61 HydrophobicContact CD2-CD2 3.88Å; W16-L61 HydrophobicContact CD2-CG 4.27Å; W16-L61 HydrophobicContact CE3-CB 4.31Å; W16-L61 HydrophobicContact CE3-CD2 3.97Å; W16-L61 HydrophobicContact CG-CB 4.12Å; W16-L61 HydrophobicContact CG-CD1 3.93Å; W16-L61 HydrophobicContact CG-CD2 4Å; W16-L61 HydrophobicContact CG-CG 4.27Å; W16-L61 HydrophobicContact CH2-CB 4.43Å; W16-L61 HydrophobicContact CZ2-CB 3.88Å; W16-Y75 CarbonylContact C-O 3.4Å; W16-Y75 WeakPolarHBondContact CA-O 3.12Å; W16-Y75 VanDerWaalsContact CE3-O 3.22Å; W16-C76 HydrophobicContact CE3-CB 4.36Å; W16-C76 HydrophobicContact CH2-CB 4.19Å; W16-C76 HydrophobicContact CZ2-CB 4.4Å; W16-C76 HydrophobicContact CZ3-CB 4.18Å
17V98Very high95.8Very high3 Ų358.7 Ų58.72%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-133.2145.7178.6-177.90000107.6L25 E26 Y74 Y75 M88 W91V17-L25 HydrophobicContact CG1-CB 3.87Å; V17-L25 HydrophobicContact CG1-CD2 3.89Å; V17-L25 HydrophobicContact CG1-CG 4.4Å; V17-E26 CarbonylContact C-O 3.59Å; V17-E26 WeakPolarHBondContact CA-O 3.41Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; V17-Y74 CarbonylContact O-C 3.58Å; V17-Y74 WeakPolarHBondContact O-CA 3.22Å; V17-Y75 PolarHBondContact N-O 3.17Å; V17-Y75 PolarHBondContact O-N 3.22Å; V17-M88 HydrophobicContact CG2-CE 3.84Å; V17-M88 HydrophobicContact CG2-SD 3.9Å; V17-W91 HydrophobicContact CB-CH2 4.09Å; V17-W91 HydrophobicContact CB-CZ3 3.82Å; V17-W91 HydrophobicContact CG1-CH2 3.96Å; V17-W91 HydrophobicContact CG1-CZ3 3.95Å; V17-W91 HydrophobicContact CG2-CH2 3.84Å; V17-W91 HydrophobicContact CG2-CZ3 3.95Å
18R97.7Very high96Very high19 Ų1956.9 Ų56.97%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-125.2160171.366.7179.1-168.5173.75.9112.7E26 I28 L44 D70 A72 L73 Y74R18-E26 HydrophobicContact CG-CB 4.16Å; R18-E26 IonicContact CZ-OE2 2.75Å; R18-E26 PolarHBondContact N-O 3.11Å; R18-E26 IonicContact NE-OE2 2.72Å; R18-E26 PolarHBondContact NE-OE2 2.93Å; R18-E26 IonicContact NH2-OE1 3.11Å; R18-E26 IonicContact NH2-OE2 3.7Å; R18-E26 PolarHBondContact NH2-OE2 3.13Å; R18-E26 PolarHBondContact O-N 2.82Å; R18-I28 HydrophobicContact CB-CD1 4Å; R18-I28 HydrophobicContact CB-CG1 4.39Å; R18-I28 HydrophobicContact CG-CD1 4.12Å; R18-I28 HydrophobicContact CG-CG1 4.07Å; R18-L44 VanDerWaalsContact NH2-CD2 3.33Å; R18-D70 IonicContact CZ-OD1 3.2Å; R18-D70 IonicContact NH1-OD1 3.76Å; R18-D70 PolarHBondContact NH1-OD1 2.77Å; R18-D70 IonicContact NH2-OD1 2.79Å; R18-A72 HydrophobicContact CB-CB 3.97Å; R18-L73 CarbonylContact C-O 3.57Å; R18-L73 WeakPolarHBondContact CA-O 3.36Å; R18-Y74 HydrophobicContact CB-CD1 3.89Å; R18-Y74 HydrophobicContact CB-CE1 3.85Å; R18-Y74 HydrophobicContact CB-CG 4.3Å
19Q98.1Very high96.2Very high65 Ų6553.9 Ų53.930%0.30429%0.291SS..EExtended strand (participates in β ladder)trans-135.9105.5174.3-168.4178.422.400109.6K23 L25 A72 L73 Y75Q19-K23 WeakPolarHBondContact CG-O 3.45Å; Q19-K23 PolarHBondContact NE2-O 3.16Å; Q19-L25 HydrophobicContact CB-CD2 4.12Å; Q19-L25 HydrophobicContact CG-CD2 4.5Å; Q19-A72 VanDerWaalsContact O-CA 3.32Å; Q19-A72 WeakPolarHBondContact O-CA 3.34Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.13Å; Q19-L73 HydrophobicContact CB-CB 4.48Å; Q19-L73 PolarHBondContact N-O 3.11Å; Q19-L73 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CE2 3.94Å; Q19-Y75 PolarHBondContact OE1-OH 3.03Å
20A97.3Very high96.4Very high24 Ų2454.7 Ų54.720%0.19830%0.295CS..  trans-70.8152.9172.700000110.6G22 K23A20-G22 PolarHBondContact O-N 2.79Å; A20-K23 HydrophobicContact CB-CB 4.09Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.5Å; A20-K23 PolarHBondContact O-N 2.62Å
21P96.4Very high96.6Very high105 Ų10552.8 Ų52.868%0.68228%0.281SS*.THydrogen-bonded Turntrans-52.7127.3176.9-26.934.8000112.2K23 T71P21-K23 PolarHBondContact O-N 2.85Å; P21-T71 VanDerWaalsContact CD-O 3.32Å; P21-T71 WeakPolarHBondContact CD-O 3.12Å
22G96.3Very high96.7Very high90 Ų9044.6 Ų44.693%0.92825%0.251SS*.THydrogen-bonded Turntrans70.412.8-179.100000115.1A20A20-G22 PolarHBondContact O-N 2.79Å
23K96.3Very high96.8Very high147 Ų14742.7 Ų42.764%0.63925%0.248SC*.  trans-117.2162.5177.7-59.6-65.4-174.3178.50111.7Q19 A20 P21Q19-K23 WeakPolarHBondContact CG-O 3.45Å; Q19-K23 PolarHBondContact NE2-O 3.16Å; A20-K23 HydrophobicContact CB-CB 4.09Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.5Å; A20-K23 PolarHBondContact O-N 2.62Å; P21-K23 PolarHBondContact O-N 2.85Å
24G95.8Very high96.9Very high54 Ų5444.8 Ų44.856%0.55726%0.264SS*.  trans-72.5178.1170.200000112.4
25L96.1Very high96.9Very high98 Ų9847.1 Ų47.151%0.51328%0.281SS..EExtended strand (participates in β ladder)trans-66.9131.4172-66169.4000110.1V17 Q19 Y75 W91V17-L25 HydrophobicContact CG1-CB 3.87Å; V17-L25 HydrophobicContact CG1-CD2 3.89Å; V17-L25 HydrophobicContact CG1-CG 4.4Å; Q19-L25 HydrophobicContact CB-CD2 4.12Å; Q19-L25 HydrophobicContact CG-CD2 4.5Å; L25-Y75 HydrophobicContact CD2-CD2 4.3Å; L25-Y75 HydrophobicContact CD2-CE2 4.11Å; L25-W91 HydrophobicContact CD1-CH2 3.82Å; L25-W91 HydrophobicContact CD1-CZ2 4.37Å; L25-W91 HydrophobicContact CD1-CZ3 4.34Å; L25-W91 HydrophobicContact CD2-CH2 4.48Å; L25-W91 HydrophobicContact CD2-CZ3 4.31Å
26E96.6Very high96.9Very high65 Ų6551.2 Ų51.230%0.30431%0.31SS..EExtended strand (participates in β ladder)trans-118.9118.6175.6-176.2-177.4-162.500108.6V17 R18 L44V17-E26 CarbonylContact C-O 3.59Å; V17-E26 WeakPolarHBondContact CA-O 3.41Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; R18-E26 HydrophobicContact CG-CB 4.16Å; R18-E26 IonicContact CZ-OE2 2.75Å; R18-E26 PolarHBondContact N-O 3.11Å; R18-E26 IonicContact NE-OE2 2.72Å; R18-E26 PolarHBondContact NE-OE2 2.93Å; R18-E26 IonicContact NH2-OE1 3.11Å; R18-E26 IonicContact NH2-OE2 3.7Å; R18-E26 PolarHBondContact NH2-OE2 3.13Å; R18-E26 PolarHBondContact O-N 2.82Å; E26-L44 HydrophobicContact CG-CD1 4.29Å
27W96.6Very high96.8Very high76 Ų7653.4 Ų53.429%0.28832%0.324SS..EExtended strand (participates in β ladder)trans-70.6131.8176.3-179.279.6000110.3G29 E30 N39 T41W27-G29 VanDerWaalsContact CE2-C 3.49Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 2.81Å; W27-E30 HydrophobicContact CH2-CG 4.45Å; W27-E30 HydrophobicContact CZ2-CB 3.84Å; W27-E30 HydrophobicContact CZ2-CG 3.65Å; W27-N39 HydrophobicContact CH2-CB 3.72Å; W27-N39 HydrophobicContact CZ2-CB 4.35Å; W27-T41 VanDerWaalsContact CE3-OG1 3.29Å; W27-T41 WeakPolarHBondContact O-CB 3.36Å; W27-T41 PolarHBondContact O-OG1 2.78Å
28I97.4Very high96.8Very high0 Ų056.2 Ų56.20%034%0.339CS..EExtended strand (participates in β ladder)trans-89.9-47.1178.8-63.3176.1000110.2W16 R18 Y40 T41 L44 F48 L61 Y74W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.18Å; W16-I28 WeakPolarHBondContact O-CB 3.24Å; W16-I28 PolarHBondContact O-N 2.89Å; R18-I28 HydrophobicContact CB-CD1 4Å; R18-I28 HydrophobicContact CB-CG1 4.39Å; R18-I28 HydrophobicContact CG-CD1 4.12Å; R18-I28 HydrophobicContact CG-CG1 4.07Å; I28-Y40 WeakPolarHBondContact O-CA 3.23Å; I28-T41 PolarHBondContact O-N 2.72Å; I28-L44 HydrophobicContact CB-CD1 4.46Å; I28-L44 HydrophobicContact CG1-CD1 4.09Å; I28-F48 HydrophobicContact CD1-CE2 4.47Å; I28-F48 HydrophobicContact CG2-CB 4.05Å; I28-F48 HydrophobicContact CG2-CD2 3.7Å; I28-F48 HydrophobicContact CG2-CE2 4.47Å; I28-F48 HydrophobicContact CG2-CG 4.07Å; I28-L61 HydrophobicContact CD1-CD2 3.92Å; I28-L61 HydrophobicContact CG2-CD1 4.36Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.6Å
29G97Very high96.8Very high0 Ų058.5 Ų58.50%035%0.352CS..EExtended strand (participates in β ladder)trans166.8175.7-171.900000111.9S15 W16 W27 N39S15-G29 CarbonylContact C-O 3.59Å; S15-G29 VanDerWaalsContact CA-O 3.27Å; S15-G29 WeakPolarHBondContact CA-O 3.3Å; W16-G29 PolarHBondContact N-O 2.75Å; W27-G29 VanDerWaalsContact CE2-C 3.49Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 2.81Å; G29-N39 CarbonylContact C-O 3.43Å; G29-N39 WeakPolarHBondContact CA-O 3.5Å
30E96.8Very high96.7Very high18 Ų1857.4 Ų57.48%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-146.6158.8177.172.1-171.5167.200111.9W13 M14 S15 W27 I38 N39W13-E30 HydrophobicContact CE3-CB 4.31Å; W13-E30 VanDerWaalsContact CE3-CD 3.42Å; W13-E30 HydrophobicContact CE3-CG 3.51Å; W13-E30 HydrophobicContact CZ3-CG 3.65Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.38Å; M14-E30 CarbonylContact O-C 3.5Å; M14-E30 WeakPolarHBondContact O-CA 3.32Å; M14-E30 WeakPolarHBondContact O-CB 3.34Å; S15-E30 WeakPolarHBondContact OG-CB 3.34Å; W27-E30 HydrophobicContact CH2-CG 4.45Å; W27-E30 HydrophobicContact CZ2-CB 3.84Å; W27-E30 HydrophobicContact CZ2-CG 3.65Å; E30-I38 CarbonylContact O-C 3.6Å; E30-I38 VanDerWaalsContact O-CA 3.3Å; E30-I38 WeakPolarHBondContact O-CA 3.39Å; E30-I38 VanDerWaalsContact O-CG2 3.22Å; E30-I38 WeakPolarHBondContact O-CG2 3.42Å; E30-N39 HydrophobicContact CG-CB 4.14Å; E30-N39 PolarHBondContact N-O 2.74Å; E30-N39 PolarHBondContact O-N 2.8Å; E30-N39 PolarHBondContact OE1-ND2 2.79Å; E30-N39 VanDerWaalsContact OE1-ND2 3.13Å
31I97.8Very high96.7Very high2 Ų257.7 Ų57.71%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-128.9135.6178.5-175.2161.2000110W13 M14 I38 I50 R52 L59W13-I31 WeakPolarHBondContact CA-O 3.29Å; M14-I31 HydrophobicContact CB-CG2 4.37Å; M14-I31 PolarHBondContact N-O 2.99Å; M14-I31 PolarHBondContact O-N 3.22Å; I31-I38 HydrophobicContact CB-CG1 4.42Å; I31-I38 HydrophobicContact CB-CG2 4.45Å; I31-I38 HydrophobicContact CD1-CD1 3.9Å; I31-I38 HydrophobicContact CD1-CG1 3.99Å; I31-I38 HydrophobicContact CG1-CD1 4.46Å; I31-I38 HydrophobicContact CG1-CG1 3.99Å; I31-I50 HydrophobicContact CB-CG2 3.82Å; I31-I50 HydrophobicContact CD1-CG2 4.46Å; I31-I50 HydrophobicContact CG2-CG2 3.57Å; I31-R52 HydrophobicContact CD1-CG 3.9Å; I31-R52 HydrophobicContact CG1-CG 4.44Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å
32N96Very high96.7Very high14 Ų1458.2 Ų58.28%0.07535%0.349CS..  trans-78.2165.8179.378.8-29.3000112W13 D34 S35 S36 T37 R52W13-N32 HydrophobicContact CD2-CB 3.65Å; W13-N32 HydrophobicContact CE3-CB 3.89Å; W13-N32 HydrophobicContact CG-CB 4.36Å; W13-N32 HydrophobicContact CH2-CB 3.71Å; W13-N32 HydrophobicContact CZ2-CB 3.43Å; W13-N32 VanDerWaalsContact CZ2-CB 3.43Å; W13-N32 HydrophobicContact CZ3-CB 3.92Å; N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 2.79Å; N32-D34 PolarHBondContact O-N 2.84Å; N32-D34 PolarHBondContact OD1-OD1 2.87Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; N32-S35 PolarHBondContact O-N 2.85Å; N32-S35 VanDerWaalsContact O-N 3.13Å; N32-S35 VanDerWaalsContact OD1-C 3.31Å; N32-S35 VanDerWaalsContact OD1-CA 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.47Å; N32-S35 PolarHBondContact OD1-N 2.86Å; N32-S35 VanDerWaalsContact OD1-N 3.09Å; N32-S36 PolarHBondContact ND2-OG 2.62Å; N32-S36 PolarHBondContact OD1-N 3Å; N32-T37 PolarHBondContact N-O 2.9Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 2.9Å; N32-T37 PolarHBondContact OD1-O 3.27Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; N32-R52 WeakPolarHBondContact O-CD 3.36Å; N32-R52 PolarHBondContact O-NH1 3.1Å
33P96.3Very high96.5Very high35 Ų3557.9 Ų57.923%0.22733%0.332CS..THydrogen-bonded Turntrans-42.9-46.7-179.7-41.443.7000117.3S10 R52 N54S10-P33 VanDerWaalsContact O-CB 3.32Å; S10-P33 WeakPolarHBondContact O-CB 3.33Å; P33-R52 VanDerWaalsContact O-CZ 3.3Å; P33-R52 PolarHBondContact O-NE 3.06Å; P33-R52 PolarHBondContact O-NH2 3.13Å; P33-N54 PolarHBondContact O-ND2 2.89Å
34D95.6Very high96.4Very high111 Ų11151 Ų5159%0.59430%0.302SS*.THydrogen-bonded Turntrans-96.84-174.266.78.4000113.4N32 S36N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 2.79Å; N32-D34 PolarHBondContact O-N 2.84Å; N32-D34 PolarHBondContact OD1-OD1 2.87Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; D34-S36 PolarHBondContact O-N 3.11Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 3.13Å; D34-S36 PolarHBondContact OD1-OG 2.87Å; D34-S36 PolarHBondContact OD2-OG 2.01Å
35S97.1Very high96.2Very high53 Ų5354.5 Ų54.537%0.37130%0.302SS..SBendtrans62.99.6-177.5-45.80000115.6N32 T37 R52N32-S35 PolarHBondContact O-N 2.85Å; N32-S35 VanDerWaalsContact O-N 3.13Å; N32-S35 VanDerWaalsContact OD1-C 3.31Å; N32-S35 VanDerWaalsContact OD1-CA 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.47Å; N32-S35 PolarHBondContact OD1-N 2.86Å; N32-S35 VanDerWaalsContact OD1-N 3.09Å; S35-T37 VanDerWaalsContact C-N 3.27Å; S35-T37 PolarHBondContact O-N 2.86Å; S35-R52 WeakPolarHBondContact OG-CD 3.38Å; S35-R52 VanDerWaalsContact OG-CG 3.22Å; S35-R52 WeakPolarHBondContact OG-CG 3Å
36S97.3Very high96.1Very high86 Ų8655.8 Ų55.860%0.60131%0.309SS*.SBendtrans-71.4-23.7177.963.20000113.1N32 D34N32-S36 PolarHBondContact ND2-OG 2.62Å; N32-S36 PolarHBondContact OD1-N 3Å; D34-S36 PolarHBondContact O-N 3.11Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 3.13Å; D34-S36 PolarHBondContact OD1-OG 2.87Å; D34-S36 PolarHBondContact OD2-OG 2.01Å
37T97.4Very high96Very high57 Ų5754 Ų5435%0.3530%0.3SS..  trans-127.5130.2-178.9-55.80000110.6W13 N32 S35W13-T37 HydrophobicContact CH2-CG2 3.94Å; W13-T37 HydrophobicContact CZ3-CG2 4.49Å; N32-T37 PolarHBondContact N-O 2.9Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 2.9Å; N32-T37 PolarHBondContact OD1-O 3.27Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; S35-T37 VanDerWaalsContact C-N 3.27Å; S35-T37 PolarHBondContact O-N 2.86Å
38I97.6Very high96Very high61 Ų6150.4 Ų50.431%0.31329%0.287SS..EExtended strand (participates in β ladder)trans-133.3120.4173.1-44179.2000108.7E30 I31 Y40 I50E30-I38 CarbonylContact O-C 3.6Å; E30-I38 VanDerWaalsContact O-CA 3.3Å; E30-I38 WeakPolarHBondContact O-CA 3.39Å; E30-I38 VanDerWaalsContact O-CG2 3.22Å; E30-I38 WeakPolarHBondContact O-CG2 3.42Å; I31-I38 HydrophobicContact CB-CG1 4.42Å; I31-I38 HydrophobicContact CB-CG2 4.45Å; I31-I38 HydrophobicContact CD1-CD1 3.9Å; I31-I38 HydrophobicContact CD1-CG1 3.99Å; I31-I38 HydrophobicContact CG1-CD1 4.46Å; I31-I38 HydrophobicContact CG1-CG1 3.99Å; I38-Y40 HydrophobicContact CB-CE2 3.88Å; I38-Y40 HydrophobicContact CG2-CD2 4.02Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.26Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.48Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; I38-I50 HydrophobicContact CG2-CD1 4.47Å
39N96.8Very high96Very high67 Ų6754.2 Ų54.236%0.35831%0.307SS..EExtended strand (participates in β ladder)trans-101.4147.1175.5-59.1-42.1000109.5W27 G29 E30W27-N39 HydrophobicContact CH2-CB 3.72Å; W27-N39 HydrophobicContact CZ2-CB 4.35Å; G29-N39 CarbonylContact C-O 3.43Å; G29-N39 WeakPolarHBondContact CA-O 3.5Å; E30-N39 HydrophobicContact CG-CB 4.14Å; E30-N39 PolarHBondContact N-O 2.74Å; E30-N39 PolarHBondContact O-N 2.8Å; E30-N39 PolarHBondContact OE1-ND2 2.79Å; E30-N39 VanDerWaalsContact OE1-ND2 3.13Å
40Y97.3Very high96.1Very high42 Ų4254.3 Ų54.317%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-138152.6-180-69.5-88.7000110.8I28 I38 K45 F48 I50I28-Y40 WeakPolarHBondContact O-CA 3.23Å; I38-Y40 HydrophobicContact CB-CE2 3.88Å; I38-Y40 HydrophobicContact CG2-CD2 4.02Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.26Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.48Å; Y40-K45 HydrophobicContact CD2-CD 4.33Å; Y40-K45 HydrophobicContact CD2-CG 3.92Å; Y40-K45 HydrophobicContact CG-CB 4.09Å; Y40-K45 HydrophobicContact CG-CG 3.96Å; Y40-F48 WeakPolarHBondContact CE1-O 3.17Å; Y40-I50 HydrophobicContact CD1-CD1 4.36Å; Y40-I50 HydrophobicContact CE1-CD1 3.87Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 3.47Å
41T96.6Very high96.1Very high30 Ų3055.8 Ų55.818%0.18432%0.319CS..  trans-64.1125.2157.8-67.70000108.6W27 I28 S43 L44 K45W27-T41 VanDerWaalsContact CE3-OG1 3.29Å; W27-T41 WeakPolarHBondContact O-CB 3.36Å; W27-T41 PolarHBondContact O-OG1 2.78Å; I28-T41 PolarHBondContact O-N 2.72Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 WeakPolarHBondContact CG2-OG 3.45Å; T41-S43 PolarHBondContact O-N 3.26Å; T41-S43 VanDerWaalsContact O-N 3.13Å; T41-L44 HydrophobicContact CG2-CD1 4.34Å; T41-L44 HydrophobicContact CG2-CG 4.18Å; T41-L44 PolarHBondContact O-N 3.46Å; T41-K45 PolarHBondContact O-N 3.2Å
42P95.4Very high96.2Very high117 Ų11756.9 Ų56.976%0.7632%0.323SS*.THydrogen-bonded Turntrans-53.7-38.8-171.7-30.935.9000114.8L44P42-L44 PolarHBondContact O-N 2.9Å
43S92.6Very high96.2Very high82 Ų8258.2 Ų58.257%0.57333%0.33SS*.THydrogen-bonded Turntrans-69.8-15.9179.354.40000114.3T41T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 WeakPolarHBondContact CG2-OG 3.45Å; T41-S43 PolarHBondContact O-N 3.26Å; T41-S43 VanDerWaalsContact O-N 3.13Å
44L93.8Very high96.3Very high4 Ų459.3 Ų59.32%0.02133%0.334CS..THydrogen-bonded Turntrans-110.4-14.9-172.7-58.4-173.8000113.4R18 E26 I28 T41 P42 D46 K47 F48R18-L44 VanDerWaalsContact NH2-CD2 3.33Å; E26-L44 HydrophobicContact CG-CD1 4.29Å; I28-L44 HydrophobicContact CB-CD1 4.46Å; I28-L44 HydrophobicContact CG1-CD1 4.09Å; T41-L44 HydrophobicContact CG2-CD1 4.34Å; T41-L44 HydrophobicContact CG2-CG 4.18Å; T41-L44 PolarHBondContact O-N 3.46Å; P42-L44 PolarHBondContact O-N 2.9Å; L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 3.22Å; L44-K47 PolarHBondContact O-N 3.05Å; L44-F48 HydrophobicContact CB-CD2 3.96Å; L44-F48 HydrophobicContact CB-CE2 4.21Å; L44-F48 HydrophobicContact CD2-CE2 4.24Å; L44-F48 WeakPolarHBondContact O-CD2 2.97Å; L44-F48 PolarHBondContact O-N 2.91Å
45K92.4Very high96.3Very high127 Ų12758.9 Ų58.955%0.55235%0.346SS*.THydrogen-bonded Turntrans-55.5-35.7-176.2-175.5177.7177.9-178.70114Y40 T41 K47Y40-K45 HydrophobicContact CD2-CD 4.33Å; Y40-K45 HydrophobicContact CD2-CG 3.92Å; Y40-K45 HydrophobicContact CG-CB 4.09Å; Y40-K45 HydrophobicContact CG-CG 3.96Å; T41-K45 PolarHBondContact O-N 3.2Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.3Å
46D93.5Very high96.4Very high125 Ų12562.6 Ų62.667%0.66836%0.355SS*.THydrogen-bonded Turntrans-81.4-11-177.6-67.6-25.4000113.7L44L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 3.22Å
47K95.6Very high96.4Very high26 Ų2660.2 Ų60.211%0.11334%0.336CS..THydrogen-bonded Turntrans-99-33-177-60.2-173.9177.6-168.50112.5L44 K45 S64 E69 D70L44-K47 PolarHBondContact O-N 3.05Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.3Å; K47-S64 PolarHBondContact O-N 3.14Å; K47-E69 IonicContact NZ-OE1 2.84Å; K47-E69 PolarHBondContact NZ-OE1 2.79Å; K47-D70 WeakPolarHBondContact CD-OD2 3.49Å; K47-D70 IonicContact NZ-OD1 3.97Å; K47-D70 PolarHBondContact NZ-OD1 2.84Å; K47-D70 IonicContact NZ-OD2 2.85Å; K47-D70 PolarHBondContact NZ-OD2 3.02Å
48F96.6Very high96.4Very high1 Ų158.1 Ų58.10%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-123.8139.9-169.9-57.2-62.6000112.4I28 Y40 L44 L61 Q62 M63 V66 Y74I28-F48 HydrophobicContact CD1-CE2 4.47Å; I28-F48 HydrophobicContact CG2-CB 4.05Å; I28-F48 HydrophobicContact CG2-CD2 3.7Å; I28-F48 HydrophobicContact CG2-CE2 4.47Å; I28-F48 HydrophobicContact CG2-CG 4.07Å; Y40-F48 WeakPolarHBondContact CE1-O 3.17Å; L44-F48 HydrophobicContact CB-CD2 3.96Å; L44-F48 HydrophobicContact CB-CE2 4.21Å; L44-F48 HydrophobicContact CD2-CE2 4.24Å; L44-F48 WeakPolarHBondContact O-CD2 2.97Å; L44-F48 PolarHBondContact O-N 2.91Å; F48-L61 HydrophobicContact CB-CD1 3.8Å; F48-L61 HydrophobicContact CD1-CD1 4.38Å; F48-L61 HydrophobicContact CD1-CD2 4.34Å; F48-L61 HydrophobicContact CD1-CG 4.26Å; F48-L61 HydrophobicContact CG-CD1 4.28Å; F48-Q62 CarbonylContact C-O 3.59Å; F48-Q62 WeakPolarHBondContact CA-O 3.2Å; F48-M63 HydrophobicContact CD1-CB 4.23Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.22Å; F48-M63 HydrophobicContact CE1-CE 4.17Å; F48-M63 HydrophobicContact CE1-CG 3.75Å; F48-M63 HydrophobicContact CE1-SD 4.09Å; F48-V66 HydrophobicContact CE1-CG1 3.79Å; F48-V66 HydrophobicContact CZ-CG1 4.26Å; F48-Y74 HydrophobicContact CE1-CE1 4.04Å; F48-Y74 AromaticContact CZ-CE1 3.95Å; F48-Y74 HydrophobicContact CZ-CE1 3.95Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.3Å
49I97.2Very high96.4Very high81 Ų8155.2 Ų55.242%0.41531%0.308SS..EExtended strand (participates in β ladder)trans-121.3119.8173-57.6170.3000107.7Q62I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 2.77Å; I49-Q62 PolarHBondContact O-N 2.89Å
50I98.1Very high96.5Very high2 Ų255.5 Ų55.51%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-90.6134.2175.1-57.9173.1000108.6I31 I38 Y40 L59 L61I31-I50 HydrophobicContact CB-CG2 3.82Å; I31-I50 HydrophobicContact CD1-CG2 4.46Å; I31-I50 HydrophobicContact CG2-CG2 3.57Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; I38-I50 HydrophobicContact CG2-CD1 4.47Å; Y40-I50 HydrophobicContact CD1-CD1 4.36Å; Y40-I50 HydrophobicContact CE1-CD1 3.87Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 3.47Å; I50-L59 HydrophobicContact CG2-CD1 4.11Å; I50-L61 HydrophobicContact CG1-CD1 3.77Å
51S98.3Very high96.6Very high48 Ų4854.6 Ų54.634%0.33630%0.303SS..EExtended strand (participates in β ladder)trans-146.7169.817263.90000110.4Y60S51-Y60 PolarHBondContact N-O 2.81Å; S51-Y60 VanDerWaalsContact N-O 3.15Å; S51-Y60 PolarHBondContact O-N 3.4Å; S51-Y60 WeakPolarHBondContact OG-CB 3.4Å
52R98Very high96.7Very high26 Ų2658.4 Ų58.410%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-146.8152.4-17658.6-170.4-70.4165.1-3.7111.3L9 Y12 I31 N32 P33 S35 N54 T58 L59L9-R52 PolarHBondContact O-NH2 3.1Å; Y12-R52 PolarHBondContact O-NH1 3.14Å; I31-R52 HydrophobicContact CD1-CG 3.9Å; I31-R52 HydrophobicContact CG1-CG 4.44Å; N32-R52 WeakPolarHBondContact O-CD 3.36Å; N32-R52 PolarHBondContact O-NH1 3.1Å; P33-R52 VanDerWaalsContact O-CZ 3.3Å; P33-R52 PolarHBondContact O-NE 3.06Å; P33-R52 PolarHBondContact O-NH2 3.13Å; S35-R52 WeakPolarHBondContact OG-CD 3.38Å; S35-R52 VanDerWaalsContact OG-CG 3.22Å; S35-R52 WeakPolarHBondContact OG-CG 3Å; R52-N54 VanDerWaalsContact CZ-OD1 3.25Å; R52-N54 PolarHBondContact NE-OD1 2.82Å; R52-N54 PolarHBondContact NH2-OD1 2.77Å; R52-T58 WeakPolarHBondContact CA-O 2.97Å; R52-L59 HydrophobicContact CB-CD1 4.18Å
53D97.9Very high96.7Very high41 Ų4155.6 Ų55.622%0.21930%0.296CS..EExtended strand (participates in β ladder)trans-125.3102171-175.2-25.5000107.6A55 K56 N57 T58 Y60D53-A55 VanDerWaalsContact C-N 3.31Å; D53-A55 PolarHBondContact O-N 3.1Å; D53-A55 WeakPolarHBondContact OD1-CB 3.48Å; D53-A55 PolarHBondContact OD1-N 3.15Å; D53-K56 HydrophobicContact CB-CB 4.16Å; D53-K56 CarbonylContact O-C 3.54Å; D53-K56 PolarHBondContact O-N 2.77Å; D53-K56 PolarHBondContact OD1-N 2.82Å; D53-K56 WeakPolarHBondContact OD2-CD 3.41Å; D53-K56 VanDerWaalsContact OD2-CE 3.23Å; D53-K56 WeakPolarHBondContact OD2-CE 3.49Å; D53-K56 WeakPolarHBondContact OD2-CG 3.25Å; D53-K56 IonicContact OD2-NZ 2.74Å; D53-K56 PolarHBondContact OD2-NZ 2.95Å; D53-N57 PolarHBondContact O-N 2.66Å; D53-T58 PolarHBondContact N-O 2.97Å; D53-T58 PolarHBondContact O-N 2.88Å; D53-Y60 HydrophobicContact CB-CE2 3.79Å
54N97.2Very high96.6Very high58 Ų5855 Ų5531%0.3129%0.292SS..THydrogen-bonded Turntrans-67.5-33.1-177.9-72.4-13.3000111.7P33 R52 K56 N57P33-N54 PolarHBondContact O-ND2 2.89Å; R52-N54 VanDerWaalsContact CZ-OD1 3.25Å; R52-N54 PolarHBondContact NE-OD1 2.82Å; R52-N54 PolarHBondContact NH2-OD1 2.77Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 2.59Å; N54-N57 PolarHBondContact O-N 3.08Å
55A96.4Very high96.5Very high102 Ų10261.5 Ų61.584%0.84332%0.32SS*.THydrogen-bonded Turntrans-67.1-31.2177.800000111.7D53D53-A55 VanDerWaalsContact C-N 3.31Å; D53-A55 PolarHBondContact O-N 3.1Å; D53-A55 WeakPolarHBondContact OD1-CB 3.48Å; D53-A55 PolarHBondContact OD1-N 3.15Å
56K97.6Very high96.6Very high131 Ų13157.8 Ų57.857%0.5731%0.308SS*.THydrogen-bonded Turntrans-94.83.8174.8-63.1-176.5-166.2127.60114D53 N54 T58D53-K56 HydrophobicContact CB-CB 4.16Å; D53-K56 CarbonylContact O-C 3.54Å; D53-K56 PolarHBondContact O-N 2.77Å; D53-K56 PolarHBondContact OD1-N 2.82Å; D53-K56 WeakPolarHBondContact OD2-CD 3.41Å; D53-K56 VanDerWaalsContact OD2-CE 3.23Å; D53-K56 WeakPolarHBondContact OD2-CE 3.49Å; D53-K56 WeakPolarHBondContact OD2-CG 3.25Å; D53-K56 IonicContact OD2-NZ 2.74Å; D53-K56 PolarHBondContact OD2-NZ 2.95Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 2.59Å; K56-T58 PolarHBondContact O-N 2.93Å; K56-T58 VanDerWaalsContact O-N 3.14Å; K56-T58 PolarHBondContact O-OG1 2.91Å
57N97.3Very high96.7Very high37 Ų3759.4 Ų59.420%0.19831%0.305CS..THydrogen-bonded Turntrans50.138.4-175.5-151.836.5000113.3A4 F7 L9 D53 N54A4-N57 PolarHBondContact N-O 2.98Å; A4-N57 PolarHBondContact O-ND2 2.82Å; F7-N57 PolarHBondContact O-ND2 3.02Å; L9-N57 WeakPolarHBondContact CB-OD1 3.48Å; L9-N57 PolarHBondContact N-OD1 2.9Å; D53-N57 PolarHBondContact O-N 2.66Å; N54-N57 PolarHBondContact O-N 3.08Å
58T98.3Very high96.7Very high13 Ų1361.8 Ų61.88%0.0832%0.324CS..EExtended strand (participates in β ladder)trans-128.6134.4-167.4-61.50000112.6C2 R52 D53 K56 Y60C2-T58 CarbonylContact O-C 3.57Å; C2-T58 WeakPolarHBondContact O-CA 3.32Å; R52-T58 WeakPolarHBondContact CA-O 2.97Å; D53-T58 PolarHBondContact N-O 2.97Å; D53-T58 PolarHBondContact O-N 2.88Å; K56-T58 PolarHBondContact O-N 2.93Å; K56-T58 VanDerWaalsContact O-N 3.14Å; K56-T58 PolarHBondContact O-OG1 2.91Å; T58-Y60 HydrophobicContact CG2-CD1 4.43Å; T58-Y60 HydrophobicContact CG2-CD2 4.32Å; T58-Y60 HydrophobicContact CG2-CE1 3.8Å; T58-Y60 HydrophobicContact CG2-CE2 3.68Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.4Å
59L98.4Very high96.6Very high0 Ų067.2 Ų67.20%035%0.35CS..EExtended strand (participates in β ladder)trans-97.9145.4171.6-168.971.9000110.9S1 C2 L9 M14 W16 I31 I50 R52 C76S1-L59 CarbonylContact C-O 3.59Å; S1-L59 WeakPolarHBondContact CA-O 3.32Å; C2-L59 HydrophobicContact CB-CB 4.4Å; C2-L59 PolarHBondContact N-O 3.27Å; C2-L59 PolarHBondContact O-N 3.32Å; L9-L59 HydrophobicContact CD1-CB 4.23Å; M14-L59 HydrophobicContact CB-CD1 3.72Å; M14-L59 HydrophobicContact CB-CD2 3.83Å; M14-L59 HydrophobicContact CB-CG 4.34Å; M14-L59 HydrophobicContact CG-CD1 4.49Å; W16-L59 HydrophobicContact CD2-CD2 4.29Å; W16-L59 HydrophobicContact CG-CD2 4.32Å; W16-L59 HydrophobicContact CZ2-CB 4.47Å; W16-L59 HydrophobicContact CZ2-CD2 4.08Å; W16-L59 HydrophobicContact CZ2-CG 4.2Å; W16-L59 VanDerWaalsContact NE1-CG 3.34Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å; I50-L59 HydrophobicContact CG2-CD1 4.11Å; R52-L59 HydrophobicContact CB-CD1 4.18Å; L59-C76 HydrophobicContact CD2-CB 4.08Å
60Y98.6Very high96.5Very high73 Ų7363.4 Ų63.429%0.28633%0.33SS..EExtended strand (participates in β ladder)trans-127.1148179.5-59.4-87000111.1W16 S51 D53 T58W16-Y60 PolarHBondContact NE1-O 3.13Å; W16-Y60 VanDerWaalsContact NE1-O 3.1Å; S51-Y60 PolarHBondContact N-O 2.81Å; S51-Y60 VanDerWaalsContact N-O 3.15Å; S51-Y60 PolarHBondContact O-N 3.4Å; S51-Y60 WeakPolarHBondContact OG-CB 3.4Å; D53-Y60 HydrophobicContact CB-CE2 3.79Å; T58-Y60 HydrophobicContact CG2-CD1 4.43Å; T58-Y60 HydrophobicContact CG2-CD2 4.32Å; T58-Y60 HydrophobicContact CG2-CE1 3.8Å; T58-Y60 HydrophobicContact CG2-CE2 3.68Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.4Å
61L98.4Very high96.5Very high23 Ų2364.8 Ų64.812%0.1234%0.339CS..EExtended strand (participates in β ladder)trans-130.2105.9170.1-171.966.3000106.4W16 I28 F48 I50 M63 Y74W16-L61 HydrophobicContact CB-CD1 4.26Å; W16-L61 HydrophobicContact CB-CD2 4.25Å; W16-L61 HydrophobicContact CD2-CB 3.78Å; W16-L61 HydrophobicContact CD2-CD1 4.44Å; W16-L61 HydrophobicContact CD2-CD2 3.88Å; W16-L61 HydrophobicContact CD2-CG 4.27Å; W16-L61 HydrophobicContact CE3-CB 4.31Å; W16-L61 HydrophobicContact CE3-CD2 3.97Å; W16-L61 HydrophobicContact CG-CB 4.12Å; W16-L61 HydrophobicContact CG-CD1 3.93Å; W16-L61 HydrophobicContact CG-CD2 4Å; W16-L61 HydrophobicContact CG-CG 4.27Å; W16-L61 HydrophobicContact CH2-CB 4.43Å; W16-L61 HydrophobicContact CZ2-CB 3.88Å; I28-L61 HydrophobicContact CD1-CD2 3.92Å; I28-L61 HydrophobicContact CG2-CD1 4.36Å; F48-L61 HydrophobicContact CB-CD1 3.8Å; F48-L61 HydrophobicContact CD1-CD1 4.38Å; F48-L61 HydrophobicContact CD1-CD2 4.34Å; F48-L61 HydrophobicContact CD1-CG 4.26Å; F48-L61 HydrophobicContact CG-CD1 4.28Å; I50-L61 HydrophobicContact CG1-CD1 3.77Å; L61-M63 HydrophobicContact CD2-CE 3.57Å; L61-M63 HydrophobicContact CG-CE 4.26Å; L61-M63 HydrophobicContact CG-CG 4.49Å; L61-Y74 HydrophobicContact CD2-CD1 3.73Å; L61-Y74 HydrophobicContact CD2-CE1 4.16Å
62Q98.1Very high96.5Very high109 Ų10962.7 Ų62.751%0.50932%0.324SS..EExtended strand (participates in β ladder)trans-86.5129.9172.1176177.7-15.400108.7F48 I49F48-Q62 CarbonylContact C-O 3.59Å; F48-Q62 WeakPolarHBondContact CA-O 3.2Å; I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 2.77Å; I49-Q62 PolarHBondContact O-N 2.89Å
63M96Very high96.5Very high59 Ų5964.7 Ų64.729%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-112.7115.9-177-56.5-171.7171.100108.6F48 L61 V66 Y74 V97F48-M63 HydrophobicContact CD1-CB 4.23Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.22Å; F48-M63 HydrophobicContact CE1-CE 4.17Å; F48-M63 HydrophobicContact CE1-CG 3.75Å; F48-M63 HydrophobicContact CE1-SD 4.09Å; L61-M63 HydrophobicContact CD2-CE 3.57Å; L61-M63 HydrophobicContact CG-CE 4.26Å; L61-M63 HydrophobicContact CG-CG 4.49Å; M63-V66 HydrophobicContact CB-CG1 3.77Å; M63-V66 HydrophobicContact CG-CG1 4.44Å; M63-V66 HydrophobicContact SD-CG1 4.42Å; M63-Y74 HydrophobicContact CE-CD1 3.42Å; M63-Y74 VanDerWaalsContact CE-CD1 3.42Å; M63-Y74 HydrophobicContact CE-CD2 4.03Å; M63-Y74 HydrophobicContact CE-CE1 3.38Å; M63-Y74 HydrophobicContact CE-CE2 4.02Å; M63-Y74 HydrophobicContact CE-CG 3.75Å; M63-V97 HydrophobicContact CE-CG2 4.26Å; M63-V97 HydrophobicContact SD-CG1 4.22Å
64S91.2Very high96.5Very high70 Ų7062.9 Ų62.949%0.4933%0.327SS..  trans-116.1-43.5-170.8-57.90000113.9K47K47-S64 PolarHBondContact O-N 3.14Å
65K91.1Very high96.6Very high140 Ų14061.7 Ų61.761%0.60932%0.318SS*.SBendtrans-11640-175.3-60.6-178.4-173.8168.30111.8
66V94.6Very high96.6Very high48 Ų4857.3 Ų57.329%0.29128%0.281SS..  trans-72.1147.5-178.4-69.10000111.8F48 M63 D70 V99F48-V66 HydrophobicContact CE1-CG1 3.79Å; F48-V66 HydrophobicContact CZ-CG1 4.26Å; M63-V66 HydrophobicContact CB-CG1 3.77Å; M63-V66 HydrophobicContact CG-CG1 4.44Å; M63-V66 HydrophobicContact SD-CG1 4.42Å; V66-D70 WeakPolarHBondContact CA-OD2 3.31Å; V66-D70 HydrophobicContact CB-CB 4.2Å; V66-D70 HydrophobicContact CG1-CB 4.23Å; V66-V99 HydrophobicContact CB-CG2 4.24Å; V66-V99 HydrophobicContact CG2-CG1 4.42Å; V66-V99 HydrophobicContact CG2-CG2 4.1Å
67R95.3Very high96.6Very high160 Ų16051.2 Ų51.260%0.60426%0.255SS*.  trans-127.5173.1178.4-63.9177.4-175.8-178.3-1.2109.3E69 D70 V99R67-E69 HydrophobicContact CB-CG 3.68Å; R67-E69 PolarHBondContact O-N 2.99Å; R67-E69 VanDerWaalsContact O-N 3.16Å; R67-D70 PolarHBondContact N-OD2 2.94Å; R67-D70 WeakPolarHBondContact O-CB 2.94Å; R67-D70 PolarHBondContact O-N 3.14Å; R67-V99 WeakPolarHBondContact O-CB 3.24Å
68S95.8Very high96.4Very high75 Ų7550.2 Ų50.252%0.52425%0.248SC..G310 helixtrans-55.1-35178.952.70000113.5D70 T71 V99S68-D70 PolarHBondContact O-N 3.17Å; S68-T71 VanDerWaalsContact O-CB 3.3Å; S68-T71 WeakPolarHBondContact O-CB 3.27Å; S68-T71 PolarHBondContact O-N 2.89Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.66Å; S68-V99 WeakPolarHBondContact CA-O 3.28Å
69E94.1Very high95.9Very high115 Ų11550 Ų5054%0.53725%0.247SC..G310 helixtrans-60.8-18.6172.753.9177.6-153.100114.7K47 R67 T71K47-E69 IonicContact NZ-OE1 2.84Å; K47-E69 PolarHBondContact NZ-OE1 2.79Å; R67-E69 HydrophobicContact CB-CG 3.68Å; R67-E69 PolarHBondContact O-N 2.99Å; R67-E69 VanDerWaalsContact O-N 3.16Å; E69-T71 VanDerWaalsContact C-N 3.28Å
70D96.1Very high95Very high1 Ų152.1 Ų52.11%0.00526%0.257CS..G310 helixtrans-89.25.8177.3-56.9-57.2000112.3R18 K47 V66 R67 S68 A72 Y74R18-D70 IonicContact CZ-OD1 3.2Å; R18-D70 IonicContact NH1-OD1 3.76Å; R18-D70 PolarHBondContact NH1-OD1 2.77Å; R18-D70 IonicContact NH2-OD1 2.79Å; K47-D70 WeakPolarHBondContact CD-OD2 3.49Å; K47-D70 IonicContact NZ-OD1 3.97Å; K47-D70 PolarHBondContact NZ-OD1 2.84Å; K47-D70 IonicContact NZ-OD2 2.85Å; K47-D70 PolarHBondContact NZ-OD2 3.02Å; V66-D70 WeakPolarHBondContact CA-OD2 3.31Å; V66-D70 HydrophobicContact CB-CB 4.2Å; V66-D70 HydrophobicContact CG1-CB 4.23Å; R67-D70 PolarHBondContact N-OD2 2.94Å; R67-D70 WeakPolarHBondContact O-CB 2.94Å; R67-D70 PolarHBondContact O-N 3.14Å; S68-D70 PolarHBondContact O-N 3.17Å; D70-A72 PolarHBondContact O-N 2.99Å; D70-Y74 PolarHBondContact O-OH 3.13Å
71T97.7Very high93.6Very high32 Ų3253.1 Ų53.120%0.19626%0.261CS..  trans-62.7117.1170.4-67.20000110.2P21 S68 E69 V97 T98 V99P21-T71 VanDerWaalsContact CD-O 3.32Å; P21-T71 WeakPolarHBondContact CD-O 3.12Å; S68-T71 VanDerWaalsContact O-CB 3.3Å; S68-T71 WeakPolarHBondContact O-CB 3.27Å; S68-T71 PolarHBondContact O-N 2.89Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.66Å; E69-T71 VanDerWaalsContact C-N 3.28Å; T71-V97 WeakPolarHBondContact CA-O 3.22Å; T71-T98 HydrophobicContact CG2-CG2 4.24Å; T71-V99 PolarHBondContact OG1-N 3.03Å; T71-V99 PolarHBondContact OG1-O 3.4Å
72A98.1Very high92Very high4 Ų459 Ų593%0.03328%0.283CS..EExtended strand (participates in β ladder)trans-164.1167.1-174.300000112R18 Q19 D70 Y74 V97R18-A72 HydrophobicContact CB-CB 3.97Å; Q19-A72 VanDerWaalsContact O-CA 3.32Å; Q19-A72 WeakPolarHBondContact O-CA 3.34Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.13Å; D70-A72 PolarHBondContact O-N 2.99Å; A72-Y74 HydrophobicContact CB-CD2 4.22Å; A72-Y74 HydrophobicContact CB-CE2 3.69Å; A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; A72-V97 PolarHBondContact N-O 2.6Å; A72-V97 VanDerWaalsContact N-O 3.07Å; A72-V97 PolarHBondContact O-N 2.74Å
73L98.4Very high90.7Very high68 Ų6857.1 Ų57.136%0.35629%0.293SS..EExtended strand (participates in β ladder)trans-79133.5156.8-73.6164.8000109R18 Q19 Y75 T95R18-L73 CarbonylContact C-O 3.57Å; R18-L73 WeakPolarHBondContact CA-O 3.36Å; Q19-L73 HydrophobicContact CB-CB 4.48Å; Q19-L73 PolarHBondContact N-O 3.11Å; Q19-L73 PolarHBondContact O-N 3.11Å; L73-Y75 HydrophobicContact CB-CE2 3.63Å; L73-Y75 VanDerWaalsContact CD1-OH 3.27Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.13Å; L73-T95 CarbonylContact C-O 3.5Å; L73-T95 WeakPolarHBondContact CA-O 3.32Å
74Y98.6Very high89.3Confident3 Ų361.9 Ų61.91%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-115.1127.3179.2-72.2-100.3000110.2V17 R18 I28 F48 L61 M63 D70 A72 G94 T95 V97V17-Y74 CarbonylContact O-C 3.58Å; V17-Y74 WeakPolarHBondContact O-CA 3.22Å; R18-Y74 HydrophobicContact CB-CD1 3.89Å; R18-Y74 HydrophobicContact CB-CE1 3.85Å; R18-Y74 HydrophobicContact CB-CG 4.3Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.6Å; F48-Y74 HydrophobicContact CE1-CE1 4.04Å; F48-Y74 AromaticContact CZ-CE1 3.95Å; F48-Y74 HydrophobicContact CZ-CE1 3.95Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.3Å; L61-Y74 HydrophobicContact CD2-CD1 3.73Å; L61-Y74 HydrophobicContact CD2-CE1 4.16Å; M63-Y74 HydrophobicContact CE-CD1 3.42Å; M63-Y74 VanDerWaalsContact CE-CD1 3.42Å; M63-Y74 HydrophobicContact CE-CD2 4.03Å; M63-Y74 HydrophobicContact CE-CE1 3.38Å; M63-Y74 HydrophobicContact CE-CE2 4.02Å; M63-Y74 HydrophobicContact CE-CG 3.75Å; D70-Y74 PolarHBondContact O-OH 3.13Å; A72-Y74 HydrophobicContact CB-CD2 4.22Å; A72-Y74 HydrophobicContact CB-CE2 3.69Å; A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y74-G94 CarbonylContact O-C 3.57Å; Y74-G94 VanDerWaalsContact O-CA 3.24Å; Y74-G94 WeakPolarHBondContact O-CA 3.16Å; Y74-T95 PolarHBondContact N-O 3.13Å; Y74-T95 PolarHBondContact O-N 3.09Å; Y74-V97 HydrophobicContact CD2-CB 3.81Å; Y74-V97 HydrophobicContact CD2-CG2 3.69Å; Y74-V97 HydrophobicContact CE2-CB 3.73Å; Y74-V97 HydrophobicContact CE2-CG1 4.48Å; Y74-V97 HydrophobicContact CE2-CG2 4.07Å; Y74-V97 HydrophobicContact CG-CG2 4.47Å
75Y98.4Very high87.8Confident33 Ų3367.5 Ų67.513%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-120.1138.8-176.5-51.7-91.8000109.5W16 V17 Q19 L25 L73 W91 G94W16-Y75 CarbonylContact C-O 3.4Å; W16-Y75 WeakPolarHBondContact CA-O 3.12Å; W16-Y75 VanDerWaalsContact CE3-O 3.22Å; V17-Y75 PolarHBondContact N-O 3.17Å; V17-Y75 PolarHBondContact O-N 3.22Å; Q19-Y75 HydrophobicContact CB-CE2 3.94Å; Q19-Y75 PolarHBondContact OE1-OH 3.03Å; L25-Y75 HydrophobicContact CD2-CD2 4.3Å; L25-Y75 HydrophobicContact CD2-CE2 4.11Å; L73-Y75 HydrophobicContact CB-CE2 3.63Å; L73-Y75 VanDerWaalsContact CD1-OH 3.27Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.13Å; Y75-W91 HydrophobicContact CG-CE3 4.21Å; Y75-W91 HydrophobicContact CG-CZ3 4.29Å; Y75-G94 VanDerWaalsContact CE1-CA 3.48Å
76C97.4Very high86.7Confident10 Ų1068.6 Ų68.67%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-88.314615854.40000108.8C2 S15 W16 L59 G92C2-C76 HydrophobicContact CB-CB 3.35Å; C2-C76 WeakPolarHBondContact CB-SG 3.27Å; C2-C76 WeakPolarHBondContact SG-CB 3.47Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.05Å; S15-C76 CarbonylContact O-C 3.4Å; S15-C76 WeakPolarHBondContact O-CA 3.46Å; W16-C76 HydrophobicContact CE3-CB 4.36Å; W16-C76 HydrophobicContact CH2-CB 4.19Å; W16-C76 HydrophobicContact CZ2-CB 4.4Å; W16-C76 HydrophobicContact CZ3-CB 4.18Å; L59-C76 HydrophobicContact CD2-CB 4.08Å; C76-G92 PolarHBondContact O-N 3.19Å
77A96.5Very high85.9Confident2 Ų268.8 Ų68.82%0.01734%0.339CS..EExtended strand (participates in β ladder)trans-141.4150.1176.200000111.1S15 P79 M88 Y90 W91S15-A77 PolarHBondContact N-O 3.39Å; S15-A77 PolarHBondContact O-N 3.31Å; A77-P79 WeakPolarHBondContact O-CD 3.41Å; A77-M88 HydrophobicContact CB-CB 4.17Å; A77-M88 HydrophobicContact CB-CG 4.03Å; A77-M88 HydrophobicContact CB-SD 3.7Å; A77-Y90 CarbonylContact C-O 3.6Å; A77-Y90 WeakPolarHBondContact CA-O 3.38Å; A77-W91 HydrophobicContact CB-CD2 4Å; A77-W91 HydrophobicContact CB-CE3 4.08Å; A77-W91 HydrophobicContact CB-CG 4.49Å; A77-W91 HydrophobicContact CB-CZ2 4.45Å; A77-W91 HydrophobicContact CB-CZ3 4.33Å
78R94.1Very high85.3Confident16 Ų1664 Ų646%0.0632%0.324CS..EExtended strand (participates in β ladder)trans-94.5119.1167.5-173.4176.586.5169.618.1108F7 Y12 M14 E80 M88 D89 Y90F7-R78 HydrophobicContact CZ-CB 4.47Å; Y12-R78 HydrophobicContact CD1-CG 4.4Å; Y12-R78 HydrophobicContact CG-CG 4.25Å; M14-R78 HydrophobicContact CE-CB 4.43Å; M14-R78 HydrophobicContact SD-CB 4.05Å; M14-R78 HydrophobicContact SD-CG 4.14Å; R78-E80 IonicContact NH2-OE1 2.78Å; R78-M88 CarbonylContact O-C 3.51Å; R78-M88 VanDerWaalsContact O-CA 3.25Å; R78-M88 WeakPolarHBondContact O-CA 3.36Å; R78-D89 WeakPolarHBondContact CB-OD1 3.19Å; R78-D89 IonicContact CZ-OD2 2.95Å; R78-D89 IonicContact NE-OD1 2.59Å; R78-D89 PolarHBondContact NE-OD1 3.44Å; R78-D89 VanDerWaalsContact NE-OD1 3.11Å; R78-D89 IonicContact NE-OD2 3.8Å; R78-D89 PolarHBondContact NE-OD2 2.96Å; R78-D89 IonicContact NH2-OD2 3.11Å; R78-D89 PolarHBondContact NH2-OD2 3.46Å; R78-D89 PolarHBondContact O-N 3.06Å; R78-D89 VanDerWaalsContact O-N 3.13Å; R78-Y90 HydrophobicContact CB-CD2 4.49Å; R78-Y90 PolarHBondContact N-O 2.94Å; R78-Y90 VanDerWaalsContact NE-CD2 3.28Å
79P86.7Confident84.7Confident9 Ų962.8 Ų62.86%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-75.7137.5163.829.3-34.8000110.3W13 A77W13-P79 HydrophobicContact CB-CG 3.64Å; W13-P79 VanDerWaalsContact O-CD 3.31Å; W13-P79 WeakPolarHBondContact O-CD 3.04Å; A77-P79 WeakPolarHBondContact O-CD 3.41Å
80E79.2Confident84.6Confident44 Ų4463.4 Ų63.421%0.20631%0.311CS..EExtended strand (participates in β ladder)trans-119.7134.9170.9-168.4164.2-141.400109.9R78 Y82 A87 D89R78-E80 IonicContact NH2-OE1 2.78Å; E80-Y82 HydrophobicContact CB-CD2 4.47Å; E80-Y82 HydrophobicContact CB-CE2 4.1Å; E80-Y82 HydrophobicContact CG-CD2 3.93Å; E80-Y82 HydrophobicContact CG-CE2 3.42Å; E80-Y82 VanDerWaalsContact CG-CE2 3.42Å; E80-Y82 PolarHBondContact OE1-OH 3.07Å; E80-Y82 VanDerWaalsContact OE1-OH 3.08Å; E80-Y82 WeakPolarHBondContact OE2-CE2 3.49Å; E80-Y82 PolarHBondContact OE2-OH 3.49Å; E80-A87 PolarHBondContact N-O 2.77Å; E80-A87 PolarHBondContact O-N 2.84Å; E80-D89 HydrophobicContact CB-CB 4.02Å; E80-D89 VanDerWaalsContact CB-CG 3.49Å; E80-D89 VanDerWaalsContact CD-OD2 3.26Å
81Y69.8Low84.6Confident95 Ų9568.2 Ų68.237%0.37333%0.329SS..EExtended strand (participates in β ladder)trans-102.2107.9-178.3-76.5-104.3000109.3Y86Y81-Y86 HydrophobicContact CD1-CD1 4.36Å; Y81-Y86 AromaticContact CD1-CE1 3.95Å; Y81-Y86 HydrophobicContact CD1-CE1 3.95Å; Y81-Y86 HydrophobicContact CD1-CE2 4.22Å; Y81-Y86 AromaticContact CD1-CZ 3.86Å; Y81-Y86 AromaticContact CE1-CD1 3.91Å; Y81-Y86 HydrophobicContact CE1-CD1 3.91Å; Y81-Y86 AromaticContact CE1-CE1 3.11Å; Y81-Y86 HydrophobicContact CE1-CE1 3.11Å; Y81-Y86 AromaticContact CE1-CE2 3.84Å; Y81-Y86 HydrophobicContact CE1-CE2 3.84Å; Y81-Y86 AromaticContact CE1-CZ 3.06Å; Y81-Y86 WeakPolarHBondContact CE1-OH 3.33Å; Y81-Y86 HydrophobicContact CE2-CD1 4.45Å; Y81-Y86 HydrophobicContact CE2-CE1 4.05Å; Y81-Y86 AromaticContact CZ-CD1 3.92Å; Y81-Y86 AromaticContact CZ-CE1 3.14Å; Y81-Y86 AromaticContact CZ-CZ 3.6Å; Y81-Y86 WeakPolarHBondContact OH-CE1 3.5Å; Y81-Y86 PolarHBondContact OH-OH 2.93Å
82Y64.6Low84.5Confident145 Ų14568 Ų6857%0.56933%0.333SS*.EExtended strand (participates in β ladder)trans-108.288.2171.1-71.6-78.4000109.9E80 N84 Y85E80-Y82 HydrophobicContact CB-CD2 4.47Å; E80-Y82 HydrophobicContact CB-CE2 4.1Å; E80-Y82 HydrophobicContact CG-CD2 3.93Å; E80-Y82 HydrophobicContact CG-CE2 3.42Å; E80-Y82 VanDerWaalsContact CG-CE2 3.42Å; E80-Y82 PolarHBondContact OE1-OH 3.07Å; E80-Y82 VanDerWaalsContact OE1-OH 3.08Å; E80-Y82 WeakPolarHBondContact OE2-CE2 3.49Å; E80-Y82 PolarHBondContact OE2-OH 3.49Å; Y82-N84 PolarHBondContact O-N 2.78Å; Y82-N84 VanDerWaalsContact O-N 3.14Å; Y82-Y85 PolarHBondContact N-O 2.72Å; Y82-Y85 VanDerWaalsContact N-O 3.1Å; Y82-Y85 PolarHBondContact O-N 2.87Å
83G71.1Confident84.4Confident70 Ų7076.9 Ų76.972%0.72237%0.374SS*.THydrogen-bonded Turntrans62.8-113.9-176.100000111.3
84N66.2Low84.4Confident160 Ų16075.1 Ų75.186%0.85637%0.372SS*.THydrogen-bonded Turntrans-91.80.7178-67.2-31.2000113.8Y82Y82-N84 PolarHBondContact O-N 2.78Å; Y82-N84 VanDerWaalsContact O-N 3.14Å
85Y59.9Low84.3Confident187 Ų18778.8 Ų78.873%0.73340%0.395SS*.EExtended strand (participates in β ladder)trans-100.8130.5-176.9-64.1-78.9000111.5Y82Y82-Y85 PolarHBondContact N-O 2.72Å; Y82-Y85 VanDerWaalsContact N-O 3.1Å; Y82-Y85 PolarHBondContact O-N 2.87Å
86Y67.4Low84.3Confident163 Ų16380.9 Ų80.964%0.63941%0.414SS*.EExtended strand (participates in β ladder)trans-101.4114.8172.1-78.7-105.8000109Y81Y81-Y86 HydrophobicContact CD1-CD1 4.36Å; Y81-Y86 AromaticContact CD1-CE1 3.95Å; Y81-Y86 HydrophobicContact CD1-CE1 3.95Å; Y81-Y86 HydrophobicContact CD1-CE2 4.22Å; Y81-Y86 AromaticContact CD1-CZ 3.86Å; Y81-Y86 AromaticContact CE1-CD1 3.91Å; Y81-Y86 HydrophobicContact CE1-CD1 3.91Å; Y81-Y86 AromaticContact CE1-CE1 3.11Å; Y81-Y86 HydrophobicContact CE1-CE1 3.11Å; Y81-Y86 AromaticContact CE1-CE2 3.84Å; Y81-Y86 HydrophobicContact CE1-CE2 3.84Å; Y81-Y86 AromaticContact CE1-CZ 3.06Å; Y81-Y86 WeakPolarHBondContact CE1-OH 3.33Å; Y81-Y86 HydrophobicContact CE2-CD1 4.45Å; Y81-Y86 HydrophobicContact CE2-CE1 4.05Å; Y81-Y86 AromaticContact CZ-CD1 3.92Å; Y81-Y86 AromaticContact CZ-CE1 3.14Å; Y81-Y86 AromaticContact CZ-CZ 3.6Å; Y81-Y86 WeakPolarHBondContact OH-CE1 3.5Å; Y81-Y86 PolarHBondContact OH-OH 2.93Å
87A77.7Confident84.3Confident52 Ų5282.2 Ų82.243%0.4342%0.422SS..EExtended strand (participates in β ladder)trans-128.6146.6171.900000109.7E80E80-A87 PolarHBondContact N-O 2.77Å; E80-A87 PolarHBondContact O-N 2.84Å
88M82.9Confident84.4Confident59 Ų5987.3 Ų87.329%0.29145%0.453SS..EExtended strand (participates in β ladder)trans-94.1107.7169-71.4170.3-175.300108.2V17 A77 R78 W91V17-M88 HydrophobicContact CG2-CE 3.84Å; V17-M88 HydrophobicContact CG2-SD 3.9Å; A77-M88 HydrophobicContact CB-CB 4.17Å; A77-M88 HydrophobicContact CB-CG 4.03Å; A77-M88 HydrophobicContact CB-SD 3.7Å; R78-M88 CarbonylContact O-C 3.51Å; R78-M88 VanDerWaalsContact O-CA 3.25Å; R78-M88 WeakPolarHBondContact O-CA 3.36Å; M88-W91 HydrophobicContact CB-CZ2 3.65Å; M88-W91 VanDerWaalsContact CB-NE1 3.33Å; M88-W91 HydrophobicContact CG-CZ2 4.09Å; M88-W91 PolarHBondContact O-NE1 3.44Å; M88-W91 VanDerWaalsContact O-NE1 3.13Å; M88-W91 HydrophobicContact SD-CH2 3.5Å; M88-W91 WeakPolarHBondContact SD-CH2 3.46Å; M88-W91 HydrophobicContact SD-CZ2 3.23Å; M88-W91 WeakPolarHBondContact SD-CZ2 3.23Å; M88-W91 HydrophobicContact SD-CZ3 4.46Å
89D84.8Confident84.5Confident51 Ų5188 Ų8827%0.27346%0.459SS..EExtended strand (participates in β ladder)trans-89.9-27.8-170.664-26.3000112.6R78 E80R78-D89 WeakPolarHBondContact CB-OD1 3.19Å; R78-D89 IonicContact CZ-OD2 2.95Å; R78-D89 IonicContact NE-OD1 2.59Å; R78-D89 PolarHBondContact NE-OD1 3.44Å; R78-D89 VanDerWaalsContact NE-OD1 3.11Å; R78-D89 IonicContact NE-OD2 3.8Å; R78-D89 PolarHBondContact NE-OD2 2.96Å; R78-D89 IonicContact NH2-OD2 3.11Å; R78-D89 PolarHBondContact NH2-OD2 3.46Å; R78-D89 PolarHBondContact O-N 3.06Å; R78-D89 VanDerWaalsContact O-N 3.13Å; E80-D89 HydrophobicContact CB-CB 4.02Å; E80-D89 VanDerWaalsContact CB-CG 3.49Å; E80-D89 VanDerWaalsContact CD-OD2 3.26Å
90Y91.1Very high84.7Confident127 Ų12792.6 Ų92.650%0.49849%0.491SS..EExtended strand (participates in β ladder)trans-122.3135.9172-67-96.8000112A77 R78A77-Y90 CarbonylContact C-O 3.6Å; A77-Y90 WeakPolarHBondContact CA-O 3.38Å; R78-Y90 HydrophobicContact CB-CD2 4.49Å; R78-Y90 PolarHBondContact N-O 2.94Å; R78-Y90 VanDerWaalsContact NE-CD2 3.28Å
91W95.7Very high84.8Confident103 Ų10399 Ų9939%0.3954%0.541SS..EExtended strand (participates in β ladder)trans-126.9137.4177.3-70.878000111V17 L25 Y75 A77 M88V17-W91 HydrophobicContact CB-CH2 4.09Å; V17-W91 HydrophobicContact CB-CZ3 3.82Å; V17-W91 HydrophobicContact CG1-CH2 3.96Å; V17-W91 HydrophobicContact CG1-CZ3 3.95Å; V17-W91 HydrophobicContact CG2-CH2 3.84Å; V17-W91 HydrophobicContact CG2-CZ3 3.95Å; L25-W91 HydrophobicContact CD1-CH2 3.82Å; L25-W91 HydrophobicContact CD1-CZ2 4.37Å; L25-W91 HydrophobicContact CD1-CZ3 4.34Å; L25-W91 HydrophobicContact CD2-CH2 4.48Å; L25-W91 HydrophobicContact CD2-CZ3 4.31Å; Y75-W91 HydrophobicContact CG-CE3 4.21Å; Y75-W91 HydrophobicContact CG-CZ3 4.29Å; A77-W91 HydrophobicContact CB-CD2 4Å; A77-W91 HydrophobicContact CB-CE3 4.08Å; A77-W91 HydrophobicContact CB-CG 4.49Å; A77-W91 HydrophobicContact CB-CZ2 4.45Å; A77-W91 HydrophobicContact CB-CZ3 4.33Å; M88-W91 HydrophobicContact CB-CZ2 3.65Å; M88-W91 VanDerWaalsContact CB-NE1 3.33Å; M88-W91 HydrophobicContact CG-CZ2 4.09Å; M88-W91 PolarHBondContact O-NE1 3.44Å; M88-W91 VanDerWaalsContact O-NE1 3.13Å; M88-W91 HydrophobicContact SD-CH2 3.5Å; M88-W91 WeakPolarHBondContact SD-CH2 3.46Å; M88-W91 HydrophobicContact SD-CZ2 3.23Å; M88-W91 WeakPolarHBondContact SD-CZ2 3.23Å; M88-W91 HydrophobicContact SD-CZ3 4.46Å
92G96.3Very high85.6Confident27 Ų2799.3 Ų99.328%0.27855%0.55SS..  trans-68.7159.7162.200000111C76 G94C76-G92 PolarHBondContact O-N 3.19Å; G92-G94 PolarHBondContact O-N 3.02Å; G92-G94 VanDerWaalsContact O-N 3.11Å
93Q96.2Very high86.7Confident190 Ų19096.8 Ų96.889%0.88855%0.549SS*.  trans-64.8-14.8179-64.9-61.7-49.700113.9
94G96.9Very high87.5Confident31 Ų3198.3 Ų98.332%0.3254%0.539SS..  trans87.6154-176.200000112.8Y74 Y75 G92Y74-G94 CarbonylContact O-C 3.57Å; Y74-G94 VanDerWaalsContact O-CA 3.24Å; Y74-G94 WeakPolarHBondContact O-CA 3.16Å; Y75-G94 VanDerWaalsContact CE1-CA 3.48Å; G92-G94 PolarHBondContact O-N 3.02Å; G92-G94 VanDerWaalsContact O-N 3.11Å
95T98.2Very high88.8Confident80 Ų8094.7 Ų94.749%0.49152%0.521SS..EExtended strand (participates in β ladder)trans-131.5134.5172.3-171.60000110L73 Y74 V97L73-T95 CarbonylContact C-O 3.5Å; L73-T95 WeakPolarHBondContact CA-O 3.32Å; Y74-T95 PolarHBondContact N-O 3.13Å; Y74-T95 PolarHBondContact O-N 3.09Å; T95-V97 HydrophobicContact CG2-CG2 4.44Å
96S97.9Very high90.6Very high77 Ų7788.9 Ų88.954%0.53851%0.507SS..EExtended strand (participates in β ladder)trans-76.5130.1175.1-173.20000109.5
97V97.8Very high92.1Very high39 Ų3984 Ų8424%0.23650%0.498CS..EExtended strand (participates in β ladder)trans-121.7120.2168.7-179.70000107.2M63 T71 A72 Y74 T95 V99M63-V97 HydrophobicContact CE-CG2 4.26Å; M63-V97 HydrophobicContact SD-CG1 4.22Å; T71-V97 WeakPolarHBondContact CA-O 3.22Å; A72-V97 PolarHBondContact N-O 2.6Å; A72-V97 VanDerWaalsContact N-O 3.07Å; A72-V97 PolarHBondContact O-N 2.74Å; Y74-V97 HydrophobicContact CD2-CB 3.81Å; Y74-V97 HydrophobicContact CD2-CG2 3.69Å; Y74-V97 HydrophobicContact CE2-CB 3.73Å; Y74-V97 HydrophobicContact CE2-CG1 4.48Å; Y74-V97 HydrophobicContact CE2-CG2 4.07Å; Y74-V97 HydrophobicContact CG-CG2 4.47Å; T95-V97 HydrophobicContact CG2-CG2 4.44Å; V97-V99 HydrophobicContact CG1-CG2 4.31Å
98T97.6Very high93.2Very high108 Ų10886.3 Ų86.366%0.66350%0.503SS*.  trans-110.7126.9177.6-55.30000108.9T71T71-T98 HydrophobicContact CG2-CG2 4.24Å
99V95.8Very high94Very high31 Ų3188.4 Ų88.419%0.18852%0.52CS..  trans-116.9118.4177.1-174.80000107.4V66 R67 S68 T71 V97V66-V99 HydrophobicContact CB-CG2 4.24Å; V66-V99 HydrophobicContact CG2-CG1 4.42Å; V66-V99 HydrophobicContact CG2-CG2 4.1Å; R67-V99 WeakPolarHBondContact O-CB 3.24Å; S68-V99 WeakPolarHBondContact CA-O 3.28Å; T71-V99 PolarHBondContact OG1-N 3.03Å; T71-V99 PolarHBondContact OG1-O 3.4Å; V97-V99 HydrophobicContact CG1-CG2 4.31Å
100S91.7Very high94.7Very high106 Ų10691.5 Ų91.574%0.74154%0.54SS*.  trans-108.4152.8173.657.20000110.3
101S81.6Confident95.1Very high179 Ų17988.3 Ų88.3100%1.25254%0.544SS*.  trans-72.6017256.40000112.6

Retrieved 101 of 101 residues in 31.8 ms (Link to these results)

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