A0A077Z5I3_TRITR Loading...

Vesicle-associated membrane protein-associated pr otein A

AlphaFold DB , UniProt , Accession A0A077Z5I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M41.6Very low71.3Confident232 Ų232119.7 Ų119.7100%1.14361%0.607SS**  0110.60-88.9175.1169.300107.6M3M1-M3 PolarHBondContact O-N 2.97Å; M1-M3 VanDerWaalsContact O-N 3.08Å
2N47.6Very low73.3Confident168 Ų168117.8 Ų117.890%0.89861%0.608SS**  trans-69.7101.5164.9-83.3-1.2000106.1E4N2-E4 VanDerWaalsContact C-N 3.3Å; N2-E4 PolarHBondContact O-N 3.09Å
3M53.5Low75.1Confident134 Ų134115.8 Ų115.866%0.6660%0.598SS**  trans-64.3102.3163.4-74.5-170.4-96.100105.3M1 I5M1-M3 PolarHBondContact O-N 2.97Å; M1-M3 VanDerWaalsContact O-N 3.08Å; M3-I5 PolarHBondContact O-N 3.03Å
4E55.7Low76.6Confident173 Ų173114.1 Ų114.181%0.80859%0.591SS**  trans-53.3111.8168.6-85.8-172.5146.900106.7N2 T6N2-E4 VanDerWaalsContact C-N 3.3Å; N2-E4 PolarHBondContact O-N 3.09Å; E4-T6 VanDerWaalsContact C-N 3.29Å; E4-T6 PolarHBondContact O-N 3.12Å
5I60.4Low77.9Confident134 Ų134106.6 Ų106.669%0.68755%0.552SS**  trans-65.5102.7170.5-60.4174.9000104.4M3 K7 H100M3-I5 PolarHBondContact O-N 3.03Å; I5-K7 PolarHBondContact O-N 3.45Å; I5-H100 HydrophobicContact CG2-CB 4.49Å
6T68.7Low79Confident80 Ų80105.1 Ų105.149%0.49154%0.544SS..PPolyproline II helixtrans-57.6129.71780.70000107.4E4 H100E4-T6 VanDerWaalsContact C-N 3.29Å; E4-T6 PolarHBondContact O-N 3.12Å; T6-H100 PolarHBondContact OG1-CD2 2.8Å; T6-H100 VanDerWaalsContact OG1-CD2 3.23Å
7K83.7Confident79.9Confident178 Ų17899.2 Ų99.277%0.77451%0.514SS*.PPolyproline II helixtrans-56.5147.5-179.9-65.5-177179.7178.20109.4I5I5-K7 PolarHBondContact O-N 3.45Å
8P90.8Very high80.6Confident40 Ų40100.8 Ų100.826%0.2652%0.519SS..PPolyproline II helixtrans-53.5144.8173.5-23.832.8000111.4I97 C98 V99 M110 I115P8-I97 HydrophobicContact CB-CD1 3.88Å; P8-I97 HydrophobicContact CG-CD1 4.46Å; P8-C98 CarbonylContact C-O 3.5Å; P8-C98 VanDerWaalsContact CA-O 3.27Å; P8-C98 WeakPolarHBondContact CA-O 3.15Å; P8-V99 HydrophobicContact CB-CG1 4.35Å; P8-V99 HydrophobicContact CG-CG1 4.47Å; P8-M110 HydrophobicContact CG-CB 4.48Å; P8-M110 HydrophobicContact CG-CG 4.34Å; P8-I115 HydrophobicContact CB-CD1 4.05Å; P8-I115 WeakPolarHBondContact O-CD1 3.4Å
9T93.2Very high81Confident61 Ų6198.4 Ų98.437%0.37452%0.515SS..BIsolated β-bridgetrans-127.8160.4-177.857.70000111.2C98T9-C98 PolarHBondContact N-O 3.08Å; T9-C98 PolarHBondContact O-N 3.37Å; T9-C98 WeakPolarHBondContact OG1-CB 3.38Å
10M94.3Very high81.5Confident117 Ų11794.9 Ų94.958%0.57650%0.504SS*.  trans-67.4129.7173.1-175.1172.163.300109.8I115 K117M10-I115 VanDerWaalsContact CA-O 3.28Å; M10-I115 WeakPolarHBondContact CA-O 3.28Å; M10-I115 HydrophobicContact CB-CB 4.23Å; M10-I115 WeakPolarHBondContact CB-O 3.48Å; M10-I115 WeakPolarHBondContact CG-O 3.44Å; M10-K117 HydrophobicContact CG-CG 4.3Å
11P94.8Very high82Confident0 Ų094.7 Ų94.70%050%0.504CS..  trans-63.5127.7177.6-17.327.9000111L13 Y96 C98 K117P11-L13 VanDerWaalsContact C-N 3.33Å; P11-L13 PolarHBondContact O-N 3.35Å; P11-Y96 HydrophobicContact CB-CD2 4.25Å; P11-Y96 HydrophobicContact CB-CE2 4.07Å; P11-Y96 HydrophobicContact CG-CD2 3.63Å; P11-Y96 HydrophobicContact CG-CE2 3.85Å; P11-C98 VanDerWaalsContact CA-SG 3.57Å; P11-K117 HydrophobicContact CB-CD 4.16Å; P11-K117 HydrophobicContact CG-CB 4.5Å; P11-K117 HydrophobicContact CG-CD 4.36Å; P11-K117 WeakPolarHBondContact O-CD 3.45Å; P11-K117 WeakPolarHBondContact O-CE 3.27Å; P11-K117 PolarHBondContact O-NZ 3.29Å
12P95.2Very high84.4Confident96 Ų9687.7 Ų87.762%0.62347%0.468SS*.SBendtrans-65.4-38.2177.923.2-31.8000111.9N43 K117P12-N43 WeakPolarHBondContact CD-OD1 3.26Å; P12-N43 VanDerWaalsContact CG-OD1 3.31Å; P12-N43 WeakPolarHBondContact CG-OD1 3.31Å; P12-K117 PolarHBondContact O-NZ 3.28Å; P12-K117 VanDerWaalsContact O-NZ 3.12Å
13L96.4Very high86.4Confident92 Ų9279.9 Ų79.948%0.48243%0.426SS..SBendtrans-112.6150.3-179.6-58.3174.7000111P11 P42 N43P11-L13 VanDerWaalsContact C-N 3.33Å; P11-L13 PolarHBondContact O-N 3.35Å; L13-P42 HydrophobicContact CB-CB 4.41Å; L13-P42 HydrophobicContact CB-CG 3.76Å; L13-P42 HydrophobicContact CD1-CB 4.09Å; L13-P42 HydrophobicContact CD1-CG 4.34Å; L13-N43 WeakPolarHBondContact CA-OD1 3.29Å; L13-N43 WeakPolarHBondContact CB-OD1 3.34Å; L13-N43 PolarHBondContact N-OD1 2.94Å; L13-N43 PolarHBondContact O-ND2 3.05Å; L13-N43 PolarHBondContact O-OD1 3.29Å
14D96.5Very high88.1Confident92 Ų9279.6 Ų79.649%0.49242%0.421SS..PPolyproline II helixtrans-77144.3178.5-62.6-22.9000111.1I16 P42 Y96 K117D14-I16 PolarHBondContact O-N 3.27Å; D14-P42 WeakPolarHBondContact O-CD 3.49Å; D14-P42 WeakPolarHBondContact O-CG 3.35Å; D14-Y96 VanDerWaalsContact CA-OH 3.28Å; D14-Y96 WeakPolarHBondContact CA-OH 3.19Å; D14-Y96 WeakPolarHBondContact CB-OH 3.46Å; D14-Y96 PolarHBondContact OD1-OH 3.27Å; D14-K117 VanDerWaalsContact OD1-CD 3.24Å; D14-K117 WeakPolarHBondContact OD1-CD 3.43Å; D14-K117 VanDerWaalsContact OD1-CE 3.3Å; D14-K117 WeakPolarHBondContact OD1-CE 3.32Å; D14-K117 IonicContact OD1-NZ 3.38Å; D14-K117 PolarHBondContact OD1-NZ 2.87Å
15I96.2Very high89.5Confident2 Ų271.5 Ų71.51%0.0138%0.384CS..PPolyproline II helixtrans-58.9134.1165.6-70172.4000108.3L39 V47 L68 L94 Y96I15-L39 HydrophobicContact CG2-CB 4.12Å; I15-L39 HydrophobicContact CG2-CD2 4.36Å; I15-V47 HydrophobicContact CD1-CG1 3.92Å; I15-L68 HydrophobicContact CD1-CD1 3.69Å; I15-L68 HydrophobicContact CG1-CD1 4.12Å; I15-L68 HydrophobicContact CG2-CD1 4.22Å; I15-L94 HydrophobicContact CB-CD2 4.41Å; I15-L94 HydrophobicContact CD1-CD2 3.8Å; I15-L94 HydrophobicContact CG2-CD2 4.06Å; I15-Y96 HydrophobicContact CB-CE1 4.46Å; I15-Y96 HydrophobicContact CB-CE2 4.36Å; I15-Y96 HydrophobicContact CD1-CD1 3.79Å; I15-Y96 HydrophobicContact CD1-CD2 3.62Å; I15-Y96 HydrophobicContact CD1-CE1 4.25Å; I15-Y96 HydrophobicContact CD1-CE2 4.1Å; I15-Y96 HydrophobicContact CD1-CG 3.46Å; I15-Y96 VanDerWaalsContact CD1-CG 3.46Å; I15-Y96 HydrophobicContact CG1-CD1 4.43Å; I15-Y96 HydrophobicContact CG1-CD2 3.79Å; I15-Y96 HydrophobicContact CG1-CE1 4.44Å; I15-Y96 HydrophobicContact CG1-CE2 3.81Å; I15-Y96 HydrophobicContact CG1-CG 4.12Å; I15-Y96 PolarHBondContact N-OH 3.3Å
16I95.8Very high90.3Very high82 Ų8269.3 Ų69.342%0.42137%0.371SS..EExtended strand (participates in β ladder)trans-92.6128174.9-58.7167.3000107.7D14 L39 K40 P42D14-I16 PolarHBondContact O-N 3.27Å; I16-L39 WeakPolarHBondContact O-CA 3.49Å; I16-K40 HydrophobicContact CB-CB 4.23Å; I16-K40 PolarHBondContact N-O 2.93Å; I16-K40 PolarHBondContact O-N 3.05Å; I16-P42 HydrophobicContact CD1-CB 4.36Å; I16-P42 HydrophobicContact CD1-CG 4.34Å; I16-P42 HydrophobicContact CG1-CG 4.4Å
17C94.7Very high90.3Very high6 Ų666 Ų664%0.04135%0.351CS..EExtended strand (participates in β ladder)trans-103.5123.5167-175.60000107.4A19 G20 Y38 L39 K119 I121C17-A19 PolarHBondContact O-N 3.22Å; C17-G20 WeakPolarHBondContact CB-O 3.27Å; C17-G20 WeakPolarHBondContact O-CA 3.34Å; C17-G20 PolarHBondContact O-N 2.97Å; C17-Y38 WeakPolarHBondContact CA-O 3.44Å; C17-L39 HydrophobicContact CB-CD2 4.02Å; C17-K119 HydrophobicContact CB-CD 4.36Å; C17-I121 HydrophobicContact CB-CD1 4.26Å
18E91.7Very high89.7Confident127 Ų12759.1 Ų59.159%0.59333%0.325SS*.THydrogen-bonded Turntrans-63.8-30-175.8-68.3-174.5172.900113G20 Y38E18-G20 PolarHBondContact O-N 3.48Å; E18-Y38 PolarHBondContact N-O 3.23Å; E18-Y38 VanDerWaalsContact N-O 3.07Å; E18-Y38 WeakPolarHBondContact OE2-CB 3.15Å
19A88.2Confident88.8Confident55 Ų5559.4 Ų59.446%0.45533%0.328SS..THydrogen-bonded Turntrans-72.4-5.817300000113.4C17 I23 L37C17-A19 PolarHBondContact O-N 3.22Å; A19-I23 HydrophobicContact CB-CG2 3.98Å; A19-L37 HydrophobicContact CB-CD2 4.05Å
20G91.3Very high88.2Confident29 Ų2959 Ų5930%0.29933%0.327SS..THydrogen-bonded Turntrans78.6-133.9-17300000112.2C17 E18C17-G20 WeakPolarHBondContact CB-O 3.27Å; C17-G20 WeakPolarHBondContact O-CA 3.34Å; C17-G20 PolarHBondContact O-N 2.97Å; E18-G20 PolarHBondContact O-N 3.48Å
21D91.1Very high87.8Confident91 Ų9157.5 Ų57.549%0.48732%0.322SS..THydrogen-bonded Turntrans-107.42.7-175.3-61-33.8000112.8K119 I121 T122D21-K119 WeakPolarHBondContact OD1-CE 3.18Å; D21-K119 IonicContact OD1-NZ 2.65Å; D21-K119 PolarHBondContact OD1-NZ 2.75Å; D21-I121 CarbonylContact O-C 3.55Å; D21-I121 WeakPolarHBondContact O-CA 2.9Å; D21-T122 PolarHBondContact O-N 2.69Å
22E91.9Very high87.5Confident84 Ų8465.6 Ų65.639%0.39335%0.352SS..EExtended strand (participates in β ladder)trans-139142.4-178.7-55.3-167144.400111.5T122 K124E22-T122 CarbonylContact C-O 3.57Å; E22-T122 WeakPolarHBondContact CA-O 3.5Å; E22-K124 VanDerWaalsContact OE1-CE 3.3Å; E22-K124 WeakPolarHBondContact OE1-CE 3.42Å; E22-K124 IonicContact OE1-NZ 2.74Å; E22-K124 PolarHBondContact OE1-NZ 3.23Å; E22-K124 WeakPolarHBondContact OE2-CE 3.23Å; E22-K124 IonicContact OE2-NZ 2.81Å; E22-K124 PolarHBondContact OE2-NZ 2.8Å
23I90.7Very high87.2Confident5 Ų562.1 Ų62.13%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-132.8150.5177.772.1164000109A19 I25 V35 L37 I78 I121 T122 I123 K124A19-I23 HydrophobicContact CB-CG2 3.98Å; I23-I25 HydrophobicContact CD1-CD1 4.36Å; I23-I25 HydrophobicContact CD1-CG1 4.44Å; I23-V35 HydrophobicContact CD1-CG1 4.39Å; I23-L37 HydrophobicContact CB-CD2 4.2Å; I23-L37 HydrophobicContact CD1-CD1 4.37Å; I23-L37 HydrophobicContact CD1-CD2 4.29Å; I23-L37 HydrophobicContact CG2-CD1 4.14Å; I23-L37 HydrophobicContact CG2-CD2 3.26Å; I23-L37 HydrophobicContact CG2-CG 4.32Å; I23-I78 HydrophobicContact CD1-CB 4.22Å; I23-I78 HydrophobicContact CD1-CG1 4.03Å; I23-I78 HydrophobicContact CD1-CG2 4.42Å; I23-I121 HydrophobicContact CG1-CG2 4.37Å; I23-I121 HydrophobicContact CG2-CG2 3.69Å; I23-T122 PolarHBondContact N-O 3.12Å; I23-I123 HydrophobicContact CD1-CG1 4.02Å; I23-I123 HydrophobicContact CD1-CG2 4.33Å; I23-I123 HydrophobicContact CG1-CB 4.25Å; I23-I123 HydrophobicContact CG1-CG1 4Å; I23-I123 HydrophobicContact CG1-CG2 4.21Å; I23-K124 PolarHBondContact O-N 2.77Å
24F89.5Confident87Confident127 Ų12760.1 Ų60.156%0.55733%0.326SS*.EExtended strand (participates in β ladder)trans-114.4127.9177.3-71.1-90.3000110.1V35 K124F24-V35 WeakPolarHBondContact O-CG2 3.34Å; F24-K124 WeakPolarHBondContact CA-O 3.31Å; F24-K124 HydrophobicContact CD1-CB 3.59Å; F24-K124 HydrophobicContact CD1-CD 4.36Å; F24-K124 HydrophobicContact CE1-CB 3.57Å; F24-K124 HydrophobicContact CE1-CD 3.5Å; F24-K124 HydrophobicContact CE1-CG 4.15Å; F24-K124 HydrophobicContact CE2-CD 4.37Å; F24-K124 HydrophobicContact CG-CB 4.34Å; F24-K124 HydrophobicContact CZ-CB 4.3Å; F24-K124 HydrophobicContact CZ-CD 3.51Å; F24-K124 HydrophobicContact CZ-CG 4.49Å
25I85.3Confident86.8Confident3 Ų357.4 Ų57.42%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-113.3113.4171.4-53.7-173.7000107.4I23 T33 V35 F59 I78 R80 I123 K124 K126I23-I25 HydrophobicContact CD1-CD1 4.36Å; I23-I25 HydrophobicContact CD1-CG1 4.44Å; I25-T33 HydrophobicContact CG2-CG2 3.67Å; I25-V35 HydrophobicContact CB-CG2 4.45Å; I25-V35 HydrophobicContact CD1-CG2 4.45Å; I25-V35 HydrophobicContact CG1-CB 4.37Å; I25-V35 HydrophobicContact CG1-CG2 3.72Å; I25-F59 HydrophobicContact CD1-CD1 4.03Å; I25-F59 HydrophobicContact CD1-CE1 3.8Å; I25-I78 HydrophobicContact CD1-CG2 4.02Å; I25-R80 HydrophobicContact CD1-CB 4.42Å; I25-R80 HydrophobicContact CG2-CB 3.98Å; I25-I123 HydrophobicContact CD1-CG2 3.69Å; I25-I123 HydrophobicContact CG1-CG2 3.98Å; I25-K124 PolarHBondContact N-O 2.52Å; I25-K126 PolarHBondContact O-N 3.09Å
26E76.7Confident86.7Confident89 Ų8959.8 Ų59.842%0.41633%0.326SS..EExtended strand (participates in β ladder)trans-118.9114.2-175.8-179.6167.9-133.400109.1K126 Y128E26-K126 WeakPolarHBondContact CA-O 3.32Å; E26-K126 HydrophobicContact CG-CB 4.41Å; E26-K126 VanDerWaalsContact OE1-CD 3.31Å; E26-K126 WeakPolarHBondContact OE1-CD 3.47Å; E26-K126 WeakPolarHBondContact OE1-CE 3.45Å; E26-K126 IonicContact OE1-NZ 3.96Å; E26-K126 PolarHBondContact OE1-NZ 3.28Å; E26-Y128 HydrophobicContact CG-CD2 4.25Å; E26-Y128 HydrophobicContact CG-CE2 3.45Å; E26-Y128 VanDerWaalsContact CG-CE2 3.45Å; E26-Y128 VanDerWaalsContact OE1-CE2 3.23Å; E26-Y128 WeakPolarHBondContact OE1-CE2 3.43Å; E26-Y128 PolarHBondContact OE1-OH 3.41Å
27A68.2Low86.7Confident10 Ų1055.9 Ų55.98%0.08331%0.306CS..  trans-167.2161.317600000111.4T33 F127A27-T33 HydrophobicContact CB-CG2 3.69Å; A27-T33 WeakPolarHBondContact CB-OG1 3.24Å; A27-F127 WeakPolarHBondContact O-CD1 3.49Å
28P71.2Confident86.8Confident33 Ų3360.5 Ų60.521%0.21432%0.323CS..  trans-50149.3162.9-26.936.6000112.3S30 D31 R80 D130P28-S30 PolarHBondContact O-N 2.94Å; P28-D31 PolarHBondContact O-N 2.9Å; P28-R80 PolarHBondContact O-NH1 2.92Å; P28-R80 VanDerWaalsContact O-NH1 3.12Å; P28-D130 WeakPolarHBondContact CB-OD1 3.3Å
29S73.1Confident87.1Confident47 Ų4754.5 Ų54.533%0.32930%0.295SS..THydrogen-bonded Turntrans-61.1-31.1179.656.70000112.6R80 P82 E83S29-R80 PolarHBondContact O-NH2 2.98Å; S29-R80 VanDerWaalsContact O-NH2 3.09Å; S29-P82 CarbonylContact O-C 3.57Å; S29-P82 WeakPolarHBondContact O-CA 3.07Å; S29-E83 PolarHBondContact O-N 3.34Å
30S79.7Confident87.5Confident51 Ų5156.3 Ų56.336%0.35729%0.292SS..THydrogen-bonded Turntrans-74.2-17.7-176.548.40000114.8P28 P82 D130P28-S30 PolarHBondContact O-N 2.94Å; S30-P82 VanDerWaalsContact O-CB 3.32Å; S30-P82 WeakPolarHBondContact O-CB 3.48Å; S30-P82 WeakPolarHBondContact O-CG 2.96Å; S30-D130 PolarHBondContact OG-OD2 3.22Å
31D85Confident87.8Confident87 Ų8754.9 Ų54.947%0.46528%0.278SS..SBendtrans-101.2152.1-170.2-79.1-15.6000114.6P28 R80P28-D31 PolarHBondContact O-N 2.9Å; D31-R80 PolarHBondContact O-NH1 2.97Å
32W89.4Confident88.1Confident169 Ų16951.5 Ų51.564%0.6426%0.261SS*.  trans-75.1127.8163.4-69.689.9000109.6I79 K81 P82W32-I79 HydrophobicContact CE3-CG2 3.79Å; W32-I79 HydrophobicContact CZ3-CG2 4.17Å; W32-K81 HydrophobicContact CE3-CB 4.4Å; W32-K81 HydrophobicContact CE3-CG 4.32Å; W32-K81 HydrophobicContact CH2-CB 4.03Å; W32-K81 HydrophobicContact CH2-CD 3.72Å; W32-K81 HydrophobicContact CH2-CG 3.72Å; W32-K81 HydrophobicContact CZ3-CB 3.9Å; W32-K81 HydrophobicContact CZ3-CD 3.96Å; W32-K81 HydrophobicContact CZ3-CG 3.47Å; W32-K81 VanDerWaalsContact CZ3-CG 3.47Å; W32-P82 VanDerWaalsContact CD1-CG 3.46Å; W32-P82 HydrophobicContact CD2-CG 3.97Å; W32-P82 HydrophobicContact CG-CG 3.86Å; W32-P82 HydrophobicContact CZ2-CG 4.31Å; W32-P82 VanDerWaalsContact NE1-CG 3.33Å
33T89.5Confident88.3Confident23 Ų2347.6 Ų47.614%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-126.3149.6179.4-310000109.8I25 A27 I79 R80I25-T33 HydrophobicContact CG2-CG2 3.67Å; A27-T33 HydrophobicContact CB-CG2 3.69Å; A27-T33 WeakPolarHBondContact CB-OG1 3.24Å; T33-I79 CarbonylContact O-C 3.45Å; T33-I79 VanDerWaalsContact O-CA 3.3Å; T33-I79 WeakPolarHBondContact O-CA 3.43Å; T33-R80 PolarHBondContact N-O 3.27Å; T33-R80 VanDerWaalsContact N-O 3.15Å; T33-R80 PolarHBondContact O-N 2.8Å
34A91.7Very high88.5Confident51 Ų5153.1 Ų53.142%0.42127%0.269SS..EExtended strand (participates in β ladder)trans-136.5145.3174.100000111.2R77 I78 I79A34-R77 HydrophobicContact CB-CG 3.93Å; A34-I78 CarbonylContact C-O 3.59Å; A34-I78 VanDerWaalsContact CA-O 3.28Å; A34-I78 WeakPolarHBondContact CA-O 3.42Å; A34-I79 HydrophobicContact CB-CG1 4.26Å
35V92.1Very high88.7Confident35 Ų3550.3 Ų50.321%0.21226%0.258CS..EExtended strand (participates in β ladder)trans-126.8133.8169.71730000108.6I23 F24 I25 L37 R77 I78I23-V35 HydrophobicContact CD1-CG1 4.39Å; F24-V35 WeakPolarHBondContact O-CG2 3.34Å; I25-V35 HydrophobicContact CB-CG2 4.45Å; I25-V35 HydrophobicContact CD1-CG2 4.45Å; I25-V35 HydrophobicContact CG1-CB 4.37Å; I25-V35 HydrophobicContact CG1-CG2 3.72Å; V35-L37 HydrophobicContact CG1-CD2 4.04Å; V35-R77 CarbonylContact O-C 3.56Å; V35-R77 WeakPolarHBondContact O-CA 2.91Å; V35-I78 PolarHBondContact N-O 2.9Å; V35-I78 PolarHBondContact O-N 2.79Å
36D94.8Very high89.2Confident51 Ų5150.7 Ų50.727%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-96.4129.7177.8-73.9-18.9000110.7I75 R77D36-I75 HydrophobicContact CB-CG2 3.83Å; D36-R77 WeakPolarHBondContact OD1-CB 3.09Å; D36-R77 VanDerWaalsContact OD1-CG 3.24Å; D36-R77 WeakPolarHBondContact OD1-CG 3.48Å; D36-R77 IonicContact OD1-CZ 3.43Å; D36-R77 IonicContact OD1-NE 2.97Å; D36-R77 PolarHBondContact OD1-NE 2.91Å; D36-R77 IonicContact OD1-NH2 2.77Å; D36-R77 PolarHBondContact OD1-NH2 3.48Å; D36-R77 IonicContact OD2-CZ 3.21Å; D36-R77 IonicContact OD2-NE 2.83Å; D36-R77 IonicContact OD2-NH2 2.65Å; D36-R77 PolarHBondContact OD2-NH2 3.15Å
37L95.4Very high90.1Very high1 Ų146.4 Ų46.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-109.8123.8174.1-50.9-177000109.2A19 I23 V35 L39 I75 L76 I78 I121A19-L37 HydrophobicContact CB-CD2 4.05Å; I23-L37 HydrophobicContact CB-CD2 4.2Å; I23-L37 HydrophobicContact CD1-CD1 4.37Å; I23-L37 HydrophobicContact CD1-CD2 4.29Å; I23-L37 HydrophobicContact CG2-CD1 4.14Å; I23-L37 HydrophobicContact CG2-CD2 3.26Å; I23-L37 HydrophobicContact CG2-CG 4.32Å; V35-L37 HydrophobicContact CG1-CD2 4.04Å; L37-L39 HydrophobicContact CB-CD2 4.49Å; L37-L39 PolarHBondContact O-N 2.88Å; L37-I75 CarbonylContact O-C 3.46Å; L37-I75 WeakPolarHBondContact O-CA 3.18Å; L37-L76 HydrophobicContact CB-CB 4.36Å; L37-L76 WeakPolarHBondContact CB-O 3.2Å; L37-L76 PolarHBondContact N-O 2.73Å; L37-L76 PolarHBondContact O-N 2.97Å; L37-I78 HydrophobicContact CD1-CD1 4.45Å; L37-I78 HydrophobicContact CD1-CG1 3.93Å; L37-I78 HydrophobicContact CG-CG1 4.3Å; L37-I121 HydrophobicContact CD1-CD1 3.86Å; L37-I121 HydrophobicContact CD1-CG2 4.39Å
38Y96.5Very high91.4Very high102 Ų10246 Ų4640%0.424%0.236SC..EExtended strand (participates in β ladder)trans-86.1112.3173.7-64.7-87.1000108.9C17 E18 T73 I75C17-Y38 WeakPolarHBondContact CA-O 3.44Å; E18-Y38 PolarHBondContact N-O 3.23Å; E18-Y38 VanDerWaalsContact N-O 3.07Å; E18-Y38 WeakPolarHBondContact OE2-CB 3.15Å; Y38-T73 HydrophobicContact CD1-CG2 4.18Å; Y38-I75 HydrophobicContact CD1-CG1 3.82Å; Y38-I75 HydrophobicContact CE1-CD1 3.82Å; Y38-I75 HydrophobicContact CE1-CG1 3.55Å
39L97.2Very high92.6Very high1 Ų144.5 Ų44.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-100.7117.1178.7-58.4-174.6000109.2I15 I16 C17 L37 F49 L68 T73 N74 L76 L94I15-L39 HydrophobicContact CG2-CB 4.12Å; I15-L39 HydrophobicContact CG2-CD2 4.36Å; I16-L39 WeakPolarHBondContact O-CA 3.49Å; C17-L39 HydrophobicContact CB-CD2 4.02Å; L37-L39 HydrophobicContact CB-CD2 4.49Å; L37-L39 PolarHBondContact O-N 2.88Å; L39-F49 HydrophobicContact CD1-CZ 4.48Å; L39-L68 HydrophobicContact CB-CD1 3.95Å; L39-L68 HydrophobicContact CB-CD2 4.31Å; L39-T73 CarbonylContact O-C 3.52Å; L39-T73 VanDerWaalsContact O-CA 3.28Å; L39-T73 WeakPolarHBondContact O-CA 3.23Å; L39-N74 PolarHBondContact N-O 3.21Å; L39-N74 PolarHBondContact O-N 2.96Å; L39-L76 HydrophobicContact CD1-CB 3.68Å; L39-L76 HydrophobicContact CD1-CD2 3.88Å; L39-L76 HydrophobicContact CD1-CG 4.42Å; L39-L76 HydrophobicContact CG-CB 4Å; L39-L94 HydrophobicContact CD1-CD1 4.25Å; L39-L94 HydrophobicContact CD1-CD2 3.9Å; L39-L94 HydrophobicContact CD2-CD2 4.3Å
40K97.6Very high93.7Very high93 Ų9342.8 Ų42.840%0.40421%0.213SC..EExtended strand (participates in β ladder)trans-104.5130.6178.4178.9176.6-176175.30110.5I16 P42 S72I16-K40 HydrophobicContact CB-CB 4.23Å; I16-K40 PolarHBondContact N-O 2.93Å; I16-K40 PolarHBondContact O-N 3.05Å; K40-P42 WeakPolarHBondContact O-CD 2.92Å; K40-S72 WeakPolarHBondContact CA-O 3.09Å
41N97.5Very high94.4Very high0 Ų040.3 Ų40.30%020%0.196CC..  trans-94.5102.9173176.519.1000110.5N43 M45 V47 L68 E69 K71 S72N41-N43 VanDerWaalsContact C-N 3.26Å; N41-N43 PolarHBondContact O-N 3.13Å; N41-N43 VanDerWaalsContact OD1-CB 3.23Å; N41-N43 WeakPolarHBondContact OD1-CB 3.4Å; N41-N43 PolarHBondContact OD1-N 2.65Å; N41-N43 PolarHBondContact OD1-ND2 2.69Å; N41-M45 PolarHBondContact ND2-O 3.45Å; N41-V47 WeakPolarHBondContact OD1-CG2 3.46Å; N41-L68 HydrophobicContact CB-CB 3.76Å; N41-L68 HydrophobicContact CB-CD1 4.31Å; N41-L68 PolarHBondContact ND2-O 2.73Å; N41-E69 PolarHBondContact ND2-O 2.74Å; N41-K71 WeakPolarHBondContact O-CA 3.4Å; N41-K71 PolarHBondContact O-N 3.46Å; N41-S72 PolarHBondContact N-O 3.25Å
42P96.7Very high94.8Very high20 Ų2039.1 Ų39.113%0.1319%0.187CC..  trans-81-3.4177.334.2-36.4000113.4L13 D14 I16 K40 K71L13-P42 HydrophobicContact CB-CB 4.41Å; L13-P42 HydrophobicContact CB-CG 3.76Å; L13-P42 HydrophobicContact CD1-CB 4.09Å; L13-P42 HydrophobicContact CD1-CG 4.34Å; D14-P42 WeakPolarHBondContact O-CD 3.49Å; D14-P42 WeakPolarHBondContact O-CG 3.35Å; I16-P42 HydrophobicContact CD1-CB 4.36Å; I16-P42 HydrophobicContact CD1-CG 4.34Å; I16-P42 HydrophobicContact CG1-CG 4.4Å; K40-P42 WeakPolarHBondContact O-CD 2.92Å; P42-K71 PolarHBondContact O-NZ 3.39Å
43N96.1Very high94.9Very high2 Ų231.8 Ų31.81%0.01116%0.16CC..SBendtrans-74.7159.8-177.8-59.6-81.3000111.9P12 L13 N41 M45P12-N43 WeakPolarHBondContact CD-OD1 3.26Å; P12-N43 VanDerWaalsContact CG-OD1 3.31Å; P12-N43 WeakPolarHBondContact CG-OD1 3.31Å; L13-N43 WeakPolarHBondContact CA-OD1 3.29Å; L13-N43 WeakPolarHBondContact CB-OD1 3.34Å; L13-N43 PolarHBondContact N-OD1 2.94Å; L13-N43 PolarHBondContact O-ND2 3.05Å; L13-N43 PolarHBondContact O-OD1 3.29Å; N41-N43 VanDerWaalsContact C-N 3.26Å; N41-N43 PolarHBondContact O-N 3.13Å; N41-N43 VanDerWaalsContact OD1-CB 3.23Å; N41-N43 WeakPolarHBondContact OD1-CB 3.4Å; N41-N43 PolarHBondContact OD1-N 2.65Å; N41-N43 PolarHBondContact OD1-ND2 2.69Å; N43-M45 PolarHBondContact O-N 3.01Å
44E94.4Very high94.6Very high120 Ų12033.8 Ų33.856%0.56118%0.175SC*.SBendtrans-81.72.1172.3-61.4-55.4151.200113.3R70 K71E44-R70 WeakPolarHBondContact O-CD 3.3Å; E44-K71 WeakPolarHBondContact OE1-CE 3.24Å; E44-K71 IonicContact OE1-NZ 2.73Å; E44-K71 PolarHBondContact OE1-NZ 3.44Å; E44-K71 WeakPolarHBondContact OE2-CE 3.42Å
45M94.3Very high94Very high68 Ų6837 Ų3734%0.33518%0.176SC..SBendtrans-123.8154.2178.6-65.7-177.469.800109.9N41 N43 C98N41-M45 PolarHBondContact ND2-O 3.45Å; N43-M45 PolarHBondContact O-N 3.01Å; M45-C98 HydrophobicContact CB-CB 4.13Å; M45-C98 HydrophobicContact CE-CB 4.4Å; M45-C98 HydrophobicContact SD-CB 4.16Å
46K96.1Very high93.1Very high11 Ų1143 Ų435%0.04820%0.196CC..  trans-57.2140.2165.3-174.4163.581.8178.40110.8F67 E69 C98 V99 H100 E101 T103K46-F67 HydrophobicContact CD-CB 4.07Å; K46-F67 HydrophobicContact CD-CD1 4.01Å; K46-F67 HydrophobicContact CD-CG 4.22Å; K46-F67 HydrophobicContact CG-CB 4.26Å; K46-F67 HydrophobicContact CG-CD1 4.19Å; K46-E69 WeakPolarHBondContact CD-OE1 3.01Å; K46-E69 WeakPolarHBondContact CD-OE2 3.43Å; K46-C98 WeakPolarHBondContact O-CA 3.36Å; K46-V99 HydrophobicContact CB-CG2 4.26Å; K46-V99 HydrophobicContact CG-CG2 4.08Å; K46-V99 PolarHBondContact O-N 3.03Å; K46-H100 WeakPolarHBondContact CE-O 3.47Å; K46-E101 WeakPolarHBondContact CE-O 3.27Å; K46-E101 PolarHBondContact NZ-O 2.93Å; K46-T103 WeakPolarHBondContact CE-O 3.13Å; K46-T103 PolarHBondContact NZ-O 3.07Å
47V96.3Very high92.6Very high0 Ų042.4 Ų42.40%020%0.203CC..EExtended strand (participates in β ladder)trans-112.7136174.8170.30000108.8I15 N41 F67 L68 Y96 I97I15-V47 HydrophobicContact CD1-CG1 3.92Å; N41-V47 WeakPolarHBondContact OD1-CG2 3.46Å; V47-F67 CarbonylContact O-C 3.58Å; V47-F67 VanDerWaalsContact O-CA 3.24Å; V47-F67 WeakPolarHBondContact O-CA 3.04Å; V47-L68 HydrophobicContact CB-CB 4.46Å; V47-L68 PolarHBondContact N-O 2.67Å; V47-L68 PolarHBondContact O-N 3.18Å; V47-Y96 HydrophobicContact CG1-CD2 3.99Å; V47-Y96 HydrophobicContact CG1-CG 4.24Å; V47-I97 VanDerWaalsContact CA-O 3.3Å; V47-I97 WeakPolarHBondContact CA-O 3.35Å; V47-I97 WeakPolarHBondContact CG1-O 3.35Å
48C95.7Very high92.2Very high0 Ų046 Ų460%022%0.217CC..EExtended strand (participates in β ladder)trans-102.7145.1162.476.30000109.3A66 F67 Y96 I97 V99 V106C48-A66 WeakPolarHBondContact CA-O 3.18Å; C48-F67 HydrophobicContact CB-CD1 3.52Å; C48-F67 HydrophobicContact CB-CE1 3.51Å; C48-Y96 VanDerWaalsContact O-CA 3.27Å; C48-Y96 WeakPolarHBondContact O-CA 3.3Å; C48-Y96 WeakPolarHBondContact O-CB 3.48Å; C48-I97 PolarHBondContact N-O 3.18Å; C48-I97 PolarHBondContact O-N 2.65Å; C48-I97 VanDerWaalsContact O-N 3.12Å; C48-I97 WeakPolarHBondContact SG-CG1 3.48Å; C48-V99 HydrophobicContact CB-CG1 4.25Å; C48-V99 HydrophobicContact CB-CG2 4.24Å; C48-V99 VanDerWaalsContact SG-CG1 3.59Å; C48-V106 HydrophobicContact CB-CG2 4.24Å
49F95.7Very high91.9Very high3 Ų341.6 Ų41.61%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-133.6154.718071.6-97.8000112.6L39 V51 P63 E65 A66 L68 L94 K95L39-F49 HydrophobicContact CD1-CZ 4.48Å; F49-V51 HydrophobicContact CD2-CG2 3.95Å; F49-V51 HydrophobicContact CE2-CG2 3.94Å; F49-P63 HydrophobicContact CE2-CG 4.47Å; F49-P63 HydrophobicContact CZ-CG 3.96Å; F49-E65 VanDerWaalsContact O-CA 3.31Å; F49-E65 WeakPolarHBondContact O-CA 3.47Å; F49-A66 WeakPolarHBondContact CD1-O 3.32Å; F49-A66 HydrophobicContact CE1-CB 3.7Å; F49-A66 HydrophobicContact CE2-CB 4.38Å; F49-A66 HydrophobicContact CZ-CB 3.65Å; F49-A66 PolarHBondContact N-O 2.99Å; F49-A66 PolarHBondContact O-N 2.76Å; F49-L68 HydrophobicContact CD1-CD1 4.33Å; F49-L68 HydrophobicContact CD1-CG 3.92Å; F49-L68 HydrophobicContact CE1-CD2 4.03Å; F49-L68 HydrophobicContact CE1-CG 3.88Å; F49-L94 HydrophobicContact CB-CD1 3.73Å; F49-L94 HydrophobicContact CB-CG 4.4Å; F49-L94 HydrophobicContact CD2-CD1 3.36Å; F49-L94 HydrophobicContact CE2-CD1 4.09Å; F49-L94 HydrophobicContact CG-CD1 3.71Å; F49-K95 CarbonylContact C-O 3.6Å; F49-K95 WeakPolarHBondContact CA-O 3.28Å; F49-K95 WeakPolarHBondContact CB-O 3.47Å
50H95.3Very high91.7Very high10 Ų1044 Ų445%0.04622%0.215CC..EExtended strand (participates in β ladder)trans-130.3137170.217769.2000109.3E52 R64 E65 K95 F111H50-E52 IonicContact CD2-OE1 3.46Å; H50-R64 CarbonylContact C-O 3.59Å; H50-E65 HydrophobicContact CB-CG 4.15Å; H50-E65 IonicContact CE1-OE1 2.67Å; H50-E65 PolarHBondContact CE1-OE1 2.96Å; H50-E65 VanDerWaalsContact ND1-CD 3.34Å; H50-E65 WeakPolarHBondContact ND1-CG 3.48Å; H50-E65 IonicContact ND1-OE1 3.61Å; H50-E65 PolarHBondContact ND1-OE1 2.88Å; H50-K95 PolarHBondContact N-O 2.83Å; H50-K95 PolarHBondContact O-N 2.95Å; H50-F111 HydrophobicContact CB-CD2 4.3Å; H50-F111 HydrophobicContact CB-CE1 4.44Å; H50-F111 HydrophobicContact CB-CE2 3.9Å; H50-F111 HydrophobicContact CB-CZ 3.97Å
51V94.6Very high91.5Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-103.7124178.2-176.80000110.4F49 M53 P61 R64 L76 L92 L94F49-V51 HydrophobicContact CD2-CG2 3.95Å; F49-V51 HydrophobicContact CE2-CG2 3.94Å; V51-M53 HydrophobicContact CG1-SD 4.32Å; V51-P61 HydrophobicContact CB-CB 4.09Å; V51-P61 HydrophobicContact CB-CG 4.04Å; V51-P61 HydrophobicContact CG1-CB 3.63Å; V51-P61 HydrophobicContact CG1-CG 3.63Å; V51-P61 HydrophobicContact CG2-CB 4.45Å; V51-R64 HydrophobicContact CB-CG 4.38Å; V51-R64 PolarHBondContact N-O 3.33Å; V51-R64 PolarHBondContact O-NE 3.29Å; V51-L76 HydrophobicContact CG2-CD1 4.12Å; V51-L76 HydrophobicContact CG2-CD2 3.97Å; V51-L92 HydrophobicContact CG1-CD1 3.18Å; V51-L92 HydrophobicContact CG1-CG 3.65Å; V51-L94 HydrophobicContact CG2-CD1 3.79Å
52E93.1Very high91.4Very high61 Ų6143.5 Ų43.529%0.28522%0.219SC..EExtended strand (participates in β ladder)trans-107.1137.8169.9-66.4177.9177.700109.8H50 L92 V93 K95H50-E52 IonicContact CD2-OE1 3.46Å; E52-L92 CarbonylContact O-C 3.5Å; E52-L92 WeakPolarHBondContact O-CA 3.42Å; E52-V93 HydrophobicContact CB-CB 4.38Å; E52-V93 PolarHBondContact N-O 2.96Å; E52-V93 PolarHBondContact O-N 3.16Å; E52-K95 WeakPolarHBondContact OE1-CE 3.47Å; E52-K95 IonicContact OE1-NZ 3.6Å; E52-K95 PolarHBondContact OE1-NZ 3.15Å; E52-K95 WeakPolarHBondContact OE2-CE 3.3Å; E52-K95 IonicContact OE2-NZ 2.69Å; E52-K95 PolarHBondContact OE2-NZ 2.81Å
53M91.3Very high91.3Very high16 Ų1644.8 Ų44.88%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-106.4139.7172.5-62.7-59.1-61.300108.4V51 R55 F59 P61 L92 I123V51-M53 HydrophobicContact CG1-SD 4.32Å; M53-R55 PolarHBondContact O-N 2.93Å; M53-R55 VanDerWaalsContact O-N 3.15Å; M53-F59 HydrophobicContact CE-CB 3.48Å; M53-F59 VanDerWaalsContact CE-CB 3.48Å; M53-F59 HydrophobicContact CE-CD2 4.08Å; M53-F59 HydrophobicContact CE-CG 4Å; M53-P61 HydrophobicContact CG-CG 4.15Å; M53-P61 HydrophobicContact SD-CG 4.26Å; M53-L92 HydrophobicContact CE-CB 4.19Å; M53-L92 HydrophobicContact SD-CB 3.74Å; M53-L92 HydrophobicContact SD-CD1 3.73Å; M53-L92 HydrophobicContact SD-CG 4.1Å; M53-I123 HydrophobicContact CE-CD1 3.4Å
54S84.7Confident91.3Very high64 Ų6448.8 Ų48.845%0.44824%0.243SC..SBendtrans-53.3-31.4171.549.80000112.6Y91S54-Y91 WeakPolarHBondContact CB-O 3.47Å; S54-Y91 PolarHBondContact N-O 2.84Å; S54-Y91 PolarHBondContact OG-N 3.24Å; S54-Y91 PolarHBondContact OG-O 3.1Å
55R78.3Confident91.3Very high119 Ų11946.1 Ų46.145%0.44923%0.23SC..SBendtrans-138.7127.7176.5-63-172.9-173.5-120.78112.2M53 Y58M53-R55 PolarHBondContact O-N 2.93Å; M53-R55 VanDerWaalsContact O-N 3.15Å; R55-Y58 HydrophobicContact CB-CD2 4.03Å; R55-Y58 HydrophobicContact CB-CE2 4.33Å
56Y74.5Confident91.4Very high160 Ų16043.9 Ų43.963%0.62722%0.223SC*.THydrogen-bonded Turntrans-73.6136.9176.4-74.1-84.4000110.9R64Y56-R64 PolarHBondContact OH-NH2 2.85Å; Y56-R64 VanDerWaalsContact OH-NH2 3.08Å
57G82.3Confident91.4Very high40 Ų4045.1 Ų45.141%0.41223%0.228SC..THydrogen-bonded Turntrans107.4-28166.600000115.8K81G57-K81 WeakPolarHBondContact O-CD 3.45Å; G57-K81 WeakPolarHBondContact O-CE 3.3Å; G57-K81 PolarHBondContact O-NZ 2.79Å
58Y87.7Confident91.5Very high77 Ų7745.1 Ų45.130%0.30223%0.228SC..THydrogen-bonded Turntrans-90.3-38.4-175.8-59.5-49.2000114.3R55 K81 T84 P85R55-Y58 HydrophobicContact CB-CD2 4.03Å; R55-Y58 HydrophobicContact CB-CE2 4.33Å; Y58-K81 WeakPolarHBondContact O-CG 3.24Å; Y58-K81 PolarHBondContact O-N 3.03Å; Y58-T84 HydrophobicContact CD1-CG2 4.32Å; Y58-T84 HydrophobicContact CG-CG2 4.12Å; Y58-T84 PolarHBondContact O-OG1 3.12Å; Y58-P85 VanDerWaalsContact CE1-CD 3.42Å; Y58-P85 HydrophobicContact CE1-CG 4.06Å
59F90.5Very high91.5Very high8 Ų848.7 Ų48.74%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-118.8142.8175.8-58.5-83.4000109.6I25 M53 I78 I79 R80 T84 D90 I123 Q125I25-F59 HydrophobicContact CD1-CD1 4.03Å; I25-F59 HydrophobicContact CD1-CE1 3.8Å; M53-F59 HydrophobicContact CE-CB 3.48Å; M53-F59 VanDerWaalsContact CE-CB 3.48Å; M53-F59 HydrophobicContact CE-CD2 4.08Å; M53-F59 HydrophobicContact CE-CG 4Å; F59-I78 HydrophobicContact CB-CG2 4.31Å; F59-I78 HydrophobicContact CD1-CG2 4.2Å; F59-I79 CarbonylContact C-O 3.5Å; F59-I79 VanDerWaalsContact CA-O 3.22Å; F59-I79 WeakPolarHBondContact CA-O 3.35Å; F59-R80 HydrophobicContact CD1-CB 3.88Å; F59-R80 HydrophobicContact CD1-CG 4.24Å; F59-R80 HydrophobicContact CE1-CB 3.75Å; F59-R80 HydrophobicContact CE1-CG 3.76Å; F59-R80 HydrophobicContact CZ-CG 4.48Å; F59-T84 HydrophobicContact CE2-CG2 4.2Å; F59-T84 HydrophobicContact CZ-CG2 4.05Å; F59-D90 HydrophobicContact CD2-CB 4.5Å; F59-D90 HydrophobicContact CE2-CB 3.89Å; F59-D90 WeakPolarHBondContact CE2-OD2 3.15Å; F59-I123 HydrophobicContact CD1-CD1 4.46Å; F59-I123 HydrophobicContact CD2-CD1 4.48Å; F59-I123 HydrophobicContact CE1-CG2 3.97Å; F59-I123 HydrophobicContact CG-CD1 4.32Å; F59-I123 HydrophobicContact CZ-CG2 4.08Å; F59-Q125 HydrophobicContact CZ-CG 4.26Å
60T92.1Very high91.4Very high53 Ų5355.7 Ų55.733%0.32527%0.271SS..EExtended strand (participates in β ladder)trans-121.6106.2176.8-50.30000108.8V62 I79 K81T60-V62 HydrophobicContact CG2-CG2 4.08Å; T60-I79 PolarHBondContact N-O 2.91Å; T60-I79 PolarHBondContact O-N 2.83Å; T60-K81 WeakPolarHBondContact OG1-CE 3.45Å
61P94.2Very high91.3Very high12 Ų1260.1 Ų60.18%0.07829%0.29CS..EExtended strand (participates in β ladder)trans-75.4133170.329.3-32.5000110.7V51 M53 R64 L76 R77 I78 L92V51-P61 HydrophobicContact CB-CB 4.09Å; V51-P61 HydrophobicContact CB-CG 4.04Å; V51-P61 HydrophobicContact CG1-CB 3.63Å; V51-P61 HydrophobicContact CG1-CG 3.63Å; V51-P61 HydrophobicContact CG2-CB 4.45Å; M53-P61 HydrophobicContact CG-CG 4.15Å; M53-P61 HydrophobicContact SD-CG 4.26Å; P61-R64 HydrophobicContact CG-CB 4.45Å; P61-R64 HydrophobicContact CG-CG 4.31Å; P61-R64 PolarHBondContact O-N 3.4Å; P61-L76 HydrophobicContact CB-CD1 3.99Å; P61-R77 CarbonylContact C-O 3.59Å; P61-R77 WeakPolarHBondContact CA-O 3.47Å; P61-I78 HydrophobicContact CB-CD1 3.85Å; P61-L92 HydrophobicContact CB-CD1 4.42Å
62V95.3Very high91.4Very high70 Ų7061.3 Ų61.342%0.42430%0.299SS..EExtended strand (participates in β ladder)trans-133116.5179.7-175.40000109.7T60 R77 I79T60-V62 HydrophobicContact CG2-CG2 4.08Å; V62-R77 HydrophobicContact CB-CB 4.43Å; V62-R77 PolarHBondContact N-O 2.85Å; V62-R77 PolarHBondContact O-N 2.68Å; V62-I79 HydrophobicContact CG2-CD1 3.86Å
63P95.6Very high91.5Very high47 Ų4761.4 Ų61.431%0.30530%0.303SS..SBendcis-73.7149.3-6.433-34.7000111.2F49 A66 I75 L76F49-P63 HydrophobicContact CE2-CG 4.47Å; F49-P63 HydrophobicContact CZ-CG 3.96Å; P63-A66 HydrophobicContact CB-CB 3.97Å; P63-A66 HydrophobicContact CG-CB 3.54Å; P63-I75 WeakPolarHBondContact CD-O 3.46Å; P63-L76 WeakPolarHBondContact O-CD1 3.28Å
64R95Very high91.7Very high86 Ų8663.6 Ų63.633%0.32532%0.315SS..SBendtrans-73.7-32.5172.3-174.3172.6-176.7-179.3-5.3112.1H50 V51 Y56 P61H50-R64 CarbonylContact C-O 3.59Å; V51-R64 HydrophobicContact CB-CG 4.38Å; V51-R64 PolarHBondContact N-O 3.33Å; V51-R64 PolarHBondContact O-NE 3.29Å; Y56-R64 PolarHBondContact OH-NH2 2.85Å; Y56-R64 VanDerWaalsContact OH-NH2 3.08Å; P61-R64 HydrophobicContact CG-CB 4.45Å; P61-R64 HydrophobicContact CG-CG 4.31Å; P61-R64 PolarHBondContact O-N 3.4Å
65E95.5Very high92.3Very high63 Ų6364.2 Ų64.229%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-139.9128-178.5-71.2166.7-143.800107.5F49 H50 V106 K108F49-E65 VanDerWaalsContact O-CA 3.31Å; F49-E65 WeakPolarHBondContact O-CA 3.47Å; H50-E65 HydrophobicContact CB-CG 4.15Å; H50-E65 IonicContact CE1-OE1 2.67Å; H50-E65 PolarHBondContact CE1-OE1 2.96Å; H50-E65 VanDerWaalsContact ND1-CD 3.34Å; H50-E65 WeakPolarHBondContact ND1-CG 3.48Å; H50-E65 IonicContact ND1-OE1 3.61Å; H50-E65 PolarHBondContact ND1-OE1 2.88Å; E65-V106 HydrophobicContact CB-CB 4.31Å; E65-V106 HydrophobicContact CB-CG1 4.18Å; E65-V106 HydrophobicContact CB-CG2 4.43Å; E65-V106 HydrophobicContact CG-CG1 4.34Å; E65-K108 WeakPolarHBondContact OE1-CE 3.5Å; E65-K108 IonicContact OE1-NZ 3.87Å; E65-K108 PolarHBondContact OE1-NZ 3.44Å
66A96.5Very high93.2Very high22 Ų2258.5 Ų58.518%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-162.4-177.2176.200000111.3C48 F49 P63C48-A66 WeakPolarHBondContact CA-O 3.18Å; F49-A66 WeakPolarHBondContact CD1-O 3.32Å; F49-A66 HydrophobicContact CE1-CB 3.7Å; F49-A66 HydrophobicContact CE2-CB 4.38Å; F49-A66 HydrophobicContact CZ-CB 3.65Å; F49-A66 PolarHBondContact N-O 2.99Å; F49-A66 PolarHBondContact O-N 2.76Å; P63-A66 HydrophobicContact CB-CB 3.97Å; P63-A66 HydrophobicContact CG-CB 3.54Å
67F96.3Very high94.2Very high36 Ų3656.1 Ų56.116%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-105.3147170.8-59-82.1000110.6K46 V47 C48 N74 V99 T103 K105 V106K46-F67 HydrophobicContact CD-CB 4.07Å; K46-F67 HydrophobicContact CD-CD1 4.01Å; K46-F67 HydrophobicContact CD-CG 4.22Å; K46-F67 HydrophobicContact CG-CB 4.26Å; K46-F67 HydrophobicContact CG-CD1 4.19Å; V47-F67 CarbonylContact O-C 3.58Å; V47-F67 VanDerWaalsContact O-CA 3.24Å; V47-F67 WeakPolarHBondContact O-CA 3.04Å; C48-F67 HydrophobicContact CB-CD1 3.52Å; C48-F67 HydrophobicContact CB-CE1 3.51Å; F67-N74 PolarHBondContact O-ND2 3.02Å; F67-V99 HydrophobicContact CD1-CG2 4.19Å; F67-V99 HydrophobicContact CE1-CG2 4.11Å; F67-T103 HydrophobicContact CE1-CG2 3.94Å; F67-T103 HydrophobicContact CZ-CG2 4.1Å; F67-K105 VanDerWaalsContact CZ-C 3.48Å; F67-V106 HydrophobicContact CD2-CG2 4.41Å; F67-V106 HydrophobicContact CE1-CG2 4.2Å; F67-V106 HydrophobicContact CE2-CG2 3.92Å; F67-V106 HydrophobicContact CZ-CG2 3.82Å
68L96.6Very high94.7Very high0 Ų054.2 Ų54.20%026%0.262CS..EExtended strand (participates in β ladder)trans-111.3115.2161-62.6176.4000107.3I15 L39 N41 V47 F49 N74I15-L68 HydrophobicContact CD1-CD1 3.69Å; I15-L68 HydrophobicContact CG1-CD1 4.12Å; I15-L68 HydrophobicContact CG2-CD1 4.22Å; L39-L68 HydrophobicContact CB-CD1 3.95Å; L39-L68 HydrophobicContact CB-CD2 4.31Å; N41-L68 HydrophobicContact CB-CB 3.76Å; N41-L68 HydrophobicContact CB-CD1 4.31Å; N41-L68 PolarHBondContact ND2-O 2.73Å; V47-L68 HydrophobicContact CB-CB 4.46Å; V47-L68 PolarHBondContact N-O 2.67Å; V47-L68 PolarHBondContact O-N 3.18Å; F49-L68 HydrophobicContact CD1-CD1 4.33Å; F49-L68 HydrophobicContact CD1-CG 3.92Å; F49-L68 HydrophobicContact CE1-CD2 4.03Å; F49-L68 HydrophobicContact CE1-CG 3.88Å; L68-N74 HydrophobicContact CD2-CB 3.45Å; L68-N74 VanDerWaalsContact CD2-CB 3.45Å
69E96.8Very high94.9Very high75 Ų7552.6 Ų52.635%0.3526%0.258SS..  trans-64.4163.3177.8-58.3-54.7152.200110.9N41 K46 K71 S72N41-E69 PolarHBondContact ND2-O 2.74Å; K46-E69 WeakPolarHBondContact CD-OE1 3.01Å; K46-E69 WeakPolarHBondContact CD-OE2 3.43Å; E69-K71 PolarHBondContact O-N 2.6Å; E69-S72 PolarHBondContact N-OG 3.43Å; E69-S72 VanDerWaalsContact N-OG 3.09Å; E69-S72 PolarHBondContact O-N 3.39Å; E69-S72 VanDerWaalsContact O-N 3.14Å; E69-S72 PolarHBondContact O-OG 3.24Å; E69-S72 VanDerWaalsContact O-OG 3.14Å
70R94.3Very high94.8Very high150 Ų15052.4 Ų52.457%0.56626%0.257SS*.THydrogen-bonded Turntrans-56.9127.4179.1174.1178.974.9171.3-2.2110.5E44 S72E44-R70 WeakPolarHBondContact O-CD 3.3Å; R70-S72 PolarHBondContact O-N 2.97Å; R70-S72 VanDerWaalsContact O-N 3.1Å
71K92.4Very high94.7Very high104 Ų10453.2 Ų53.245%0.45226%0.256SS..THydrogen-bonded Turntrans5620.2-179.6-52.3-60.8176.5171.20114.4N41 P42 E44 E69N41-K71 WeakPolarHBondContact O-CA 3.4Å; N41-K71 PolarHBondContact O-N 3.46Å; P42-K71 PolarHBondContact O-NZ 3.39Å; E44-K71 WeakPolarHBondContact OE1-CE 3.24Å; E44-K71 IonicContact OE1-NZ 2.73Å; E44-K71 PolarHBondContact OE1-NZ 3.44Å; E44-K71 WeakPolarHBondContact OE2-CE 3.42Å; E69-K71 PolarHBondContact O-N 2.6Å
72S95.8Very high94.4Very high25 Ų2554.4 Ų54.418%0.17526%0.263CS..  trans-90.6163.5177.584.80000112.2K40 N41 E69 R70 N74K40-S72 WeakPolarHBondContact CA-O 3.09Å; N41-S72 PolarHBondContact N-O 3.25Å; E69-S72 PolarHBondContact N-OG 3.43Å; E69-S72 VanDerWaalsContact N-OG 3.09Å; E69-S72 PolarHBondContact O-N 3.39Å; E69-S72 VanDerWaalsContact O-N 3.14Å; E69-S72 PolarHBondContact O-OG 3.24Å; E69-S72 VanDerWaalsContact O-OG 3.14Å; R70-S72 PolarHBondContact O-N 2.97Å; R70-S72 VanDerWaalsContact O-N 3.1Å; S72-N74 PolarHBondContact OG-OD1 3.08Å
73T96.3Very high93.8Very high63 Ų6357.4 Ų57.439%0.38727%0.273SS..EExtended strand (participates in β ladder)trans-121.7127.5166.6-59.50000108.1Y38 L39Y38-T73 HydrophobicContact CD1-CG2 4.18Å; L39-T73 CarbonylContact O-C 3.52Å; L39-T73 VanDerWaalsContact O-CA 3.28Å; L39-T73 WeakPolarHBondContact O-CA 3.23Å
74N96.2Very high93.3Very high61 Ų6155.3 Ų55.333%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-125161.9173.6-58.225000110.1L39 F67 L68 S72L39-N74 PolarHBondContact N-O 3.21Å; L39-N74 PolarHBondContact O-N 2.96Å; F67-N74 PolarHBondContact O-ND2 3.02Å; L68-N74 HydrophobicContact CD2-CB 3.45Å; L68-N74 VanDerWaalsContact CD2-CB 3.45Å; S72-N74 PolarHBondContact OG-OD1 3.08Å
75I96.2Very high92.7Very high77 Ų7753.7 Ų53.740%0.39526%0.26SS..EExtended strand (participates in β ladder)trans-90.6133.4178.3-62.3169.6000109.9D36 L37 Y38 P63D36-I75 HydrophobicContact CB-CG2 3.83Å; L37-I75 CarbonylContact O-C 3.46Å; L37-I75 WeakPolarHBondContact O-CA 3.18Å; Y38-I75 HydrophobicContact CD1-CG1 3.82Å; Y38-I75 HydrophobicContact CE1-CD1 3.82Å; Y38-I75 HydrophobicContact CE1-CG1 3.55Å; P63-I75 WeakPolarHBondContact CD-O 3.46Å
76L96.4Very high91.9Very high0 Ų057.2 Ų57.20%027%0.274CS..EExtended strand (participates in β ladder)trans-111.5109.2160.617162.2000108.2L37 L39 V51 P61 P63 I78 L92L37-L76 HydrophobicContact CB-CB 4.36Å; L37-L76 WeakPolarHBondContact CB-O 3.2Å; L37-L76 PolarHBondContact N-O 2.73Å; L37-L76 PolarHBondContact O-N 2.97Å; L39-L76 HydrophobicContact CD1-CB 3.68Å; L39-L76 HydrophobicContact CD1-CD2 3.88Å; L39-L76 HydrophobicContact CD1-CG 4.42Å; L39-L76 HydrophobicContact CG-CB 4Å; V51-L76 HydrophobicContact CG2-CD1 4.12Å; V51-L76 HydrophobicContact CG2-CD2 3.97Å; P61-L76 HydrophobicContact CB-CD1 3.99Å; P63-L76 WeakPolarHBondContact O-CD1 3.28Å; L76-I78 HydrophobicContact CD1-CD1 4.22Å; L76-I78 HydrophobicContact CD2-CD1 4.14Å; L76-I78 HydrophobicContact CG-CD1 3.88Å; L76-L92 HydrophobicContact CD2-CD1 4.17Å
77R95.5Very high91Very high110 Ų11059.4 Ų59.442%0.41528%0.278SS..EExtended strand (participates in β ladder)trans-87.5127.9176.9-179.1167-71.5175-0.2110.6A34 V35 D36 P61 V62 I79A34-R77 HydrophobicContact CB-CG 3.93Å; V35-R77 CarbonylContact O-C 3.56Å; V35-R77 WeakPolarHBondContact O-CA 2.91Å; D36-R77 WeakPolarHBondContact OD1-CB 3.09Å; D36-R77 VanDerWaalsContact OD1-CG 3.24Å; D36-R77 WeakPolarHBondContact OD1-CG 3.48Å; D36-R77 IonicContact OD1-CZ 3.43Å; D36-R77 IonicContact OD1-NE 2.97Å; D36-R77 PolarHBondContact OD1-NE 2.91Å; D36-R77 IonicContact OD1-NH2 2.77Å; D36-R77 PolarHBondContact OD1-NH2 3.48Å; D36-R77 IonicContact OD2-CZ 3.21Å; D36-R77 IonicContact OD2-NE 2.83Å; D36-R77 IonicContact OD2-NH2 2.65Å; D36-R77 PolarHBondContact OD2-NH2 3.15Å; P61-R77 CarbonylContact C-O 3.59Å; P61-R77 WeakPolarHBondContact CA-O 3.47Å; V62-R77 HydrophobicContact CB-CB 4.43Å; V62-R77 PolarHBondContact N-O 2.85Å; V62-R77 PolarHBondContact O-N 2.68Å; R77-I79 HydrophobicContact CG-CD1 4.47Å; R77-I79 HydrophobicContact CG-CG1 3.82Å
78I93.1Very high90.3Very high0 Ų065 Ų650%031%0.305CS..EExtended strand (participates in β ladder)trans-103.9110.1172.6-51.5-53.4000108.4I23 I25 A34 V35 L37 F59 P61 L76 L92 I123I23-I78 HydrophobicContact CD1-CB 4.22Å; I23-I78 HydrophobicContact CD1-CG1 4.03Å; I23-I78 HydrophobicContact CD1-CG2 4.42Å; I25-I78 HydrophobicContact CD1-CG2 4.02Å; A34-I78 CarbonylContact C-O 3.59Å; A34-I78 VanDerWaalsContact CA-O 3.28Å; A34-I78 WeakPolarHBondContact CA-O 3.42Å; V35-I78 PolarHBondContact N-O 2.9Å; V35-I78 PolarHBondContact O-N 2.79Å; L37-I78 HydrophobicContact CD1-CD1 4.45Å; L37-I78 HydrophobicContact CD1-CG1 3.93Å; L37-I78 HydrophobicContact CG-CG1 4.3Å; F59-I78 HydrophobicContact CB-CG2 4.31Å; F59-I78 HydrophobicContact CD1-CG2 4.2Å; P61-I78 HydrophobicContact CB-CD1 3.85Å; L76-I78 HydrophobicContact CD1-CD1 4.22Å; L76-I78 HydrophobicContact CD2-CD1 4.14Å; L76-I78 HydrophobicContact CG-CD1 3.88Å; I78-L92 HydrophobicContact CD1-CD1 3.42Å; I78-L92 VanDerWaalsContact CD1-CD1 3.42Å; I78-L92 HydrophobicContact CG1-CD1 4.43Å; I78-I123 HydrophobicContact CG2-CD1 4.08Å
79I92.1Very high89.7Confident43 Ų4369 Ų6922%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-97.7121.1-179.9-52.9176.5000109W32 T33 A34 F59 T60 V62 R77W32-I79 HydrophobicContact CE3-CG2 3.79Å; W32-I79 HydrophobicContact CZ3-CG2 4.17Å; T33-I79 CarbonylContact O-C 3.45Å; T33-I79 VanDerWaalsContact O-CA 3.3Å; T33-I79 WeakPolarHBondContact O-CA 3.43Å; A34-I79 HydrophobicContact CB-CG1 4.26Å; F59-I79 CarbonylContact C-O 3.5Å; F59-I79 VanDerWaalsContact CA-O 3.22Å; F59-I79 WeakPolarHBondContact CA-O 3.35Å; T60-I79 PolarHBondContact N-O 2.91Å; T60-I79 PolarHBondContact O-N 2.83Å; V62-I79 HydrophobicContact CG2-CD1 3.86Å; R77-I79 HydrophobicContact CG-CD1 4.47Å; R77-I79 HydrophobicContact CG-CG1 3.82Å
80R89.6Confident89.4Confident3 Ų365.7 Ų65.71%0.01131%0.307CS..EExtended strand (participates in β ladder)trans-86.4133.5168.1179.7-176.9164.9-81.5-18.8109.7I25 P28 S29 D31 T33 F59 T84 F127I25-R80 HydrophobicContact CD1-CB 4.42Å; I25-R80 HydrophobicContact CG2-CB 3.98Å; P28-R80 PolarHBondContact O-NH1 2.92Å; P28-R80 VanDerWaalsContact O-NH1 3.12Å; S29-R80 PolarHBondContact O-NH2 2.98Å; S29-R80 VanDerWaalsContact O-NH2 3.09Å; D31-R80 PolarHBondContact O-NH1 2.97Å; T33-R80 PolarHBondContact N-O 3.27Å; T33-R80 VanDerWaalsContact N-O 3.15Å; T33-R80 PolarHBondContact O-N 2.8Å; F59-R80 HydrophobicContact CD1-CB 3.88Å; F59-R80 HydrophobicContact CD1-CG 4.24Å; F59-R80 HydrophobicContact CE1-CB 3.75Å; F59-R80 HydrophobicContact CE1-CG 3.76Å; F59-R80 HydrophobicContact CZ-CG 4.48Å; R80-T84 HydrophobicContact CG-CG2 4.31Å; R80-T84 PolarHBondContact NH2-O 2.83Å; R80-F127 VanDerWaalsContact CZ-CZ 3.46Å
81K89.7Confident89.3Confident70 Ų7062.3 Ų62.330%0.30430%0.295SS..PPolyproline II helixtrans-83.6152.8174.2-53-157.1-175.7155.30111.7W32 G57 Y58 T60 T84W32-K81 HydrophobicContact CE3-CB 4.4Å; W32-K81 HydrophobicContact CE3-CG 4.32Å; W32-K81 HydrophobicContact CH2-CB 4.03Å; W32-K81 HydrophobicContact CH2-CD 3.72Å; W32-K81 HydrophobicContact CH2-CG 3.72Å; W32-K81 HydrophobicContact CZ3-CB 3.9Å; W32-K81 HydrophobicContact CZ3-CD 3.96Å; W32-K81 HydrophobicContact CZ3-CG 3.47Å; W32-K81 VanDerWaalsContact CZ3-CG 3.47Å; G57-K81 WeakPolarHBondContact O-CD 3.45Å; G57-K81 WeakPolarHBondContact O-CE 3.3Å; G57-K81 PolarHBondContact O-NZ 2.79Å; Y58-K81 WeakPolarHBondContact O-CG 3.24Å; Y58-K81 PolarHBondContact O-N 3.03Å; T60-K81 WeakPolarHBondContact OG1-CE 3.45Å; K81-T84 WeakPolarHBondContact O-CB 3.46Å; K81-T84 PolarHBondContact O-N 2.89Å; K81-T84 PolarHBondContact O-OG1 3.14Å
82P87.7Confident89.3Confident37 Ų3757.4 Ų57.424%0.2427%0.274CS..THydrogen-bonded Turntrans-49.9151.3164.5-29.936.1000112.2S29 S30 W32 T84S29-P82 CarbonylContact O-C 3.57Å; S29-P82 WeakPolarHBondContact O-CA 3.07Å; S30-P82 VanDerWaalsContact O-CB 3.32Å; S30-P82 WeakPolarHBondContact O-CB 3.48Å; S30-P82 WeakPolarHBondContact O-CG 2.96Å; W32-P82 VanDerWaalsContact CD1-CG 3.46Å; W32-P82 HydrophobicContact CD2-CG 3.97Å; W32-P82 HydrophobicContact CG-CG 3.86Å; W32-P82 HydrophobicContact CZ2-CG 4.31Å; W32-P82 VanDerWaalsContact NE1-CG 3.33Å; P82-T84 PolarHBondContact O-N 2.9Å
83E83.1Confident89.2Confident133 Ų13357.9 Ų57.962%0.62128%0.275SS*.THydrogen-bonded Turntrans5817.3178.4-52-52.812900113.8S29 P85S29-E83 PolarHBondContact O-N 3.34Å; E83-P85 VanDerWaalsContact O-CD 3.27Å; E83-P85 WeakPolarHBondContact O-CD 3.5Å
84T85Confident89.2Confident3 Ų354.9 Ų54.92%0.01826%0.257CS..PPolyproline II helixtrans-61.2119.8169.4-690000108.4Y58 F59 R80 K81 P82Y58-T84 HydrophobicContact CD1-CG2 4.32Å; Y58-T84 HydrophobicContact CG-CG2 4.12Å; Y58-T84 PolarHBondContact O-OG1 3.12Å; F59-T84 HydrophobicContact CE2-CG2 4.2Å; F59-T84 HydrophobicContact CZ-CG2 4.05Å; R80-T84 HydrophobicContact CG-CG2 4.31Å; R80-T84 PolarHBondContact NH2-O 2.83Å; K81-T84 WeakPolarHBondContact O-CB 3.46Å; K81-T84 PolarHBondContact O-N 2.89Å; K81-T84 PolarHBondContact O-OG1 3.14Å; P82-T84 PolarHBondContact O-N 2.9Å
85P82.3Confident89.2Confident53 Ų5353.5 Ų53.534%0.34425%0.248SC..PPolyproline II helixtrans-60.3138.7-177.2-24.434000112Y58 E83 R87Y58-P85 VanDerWaalsContact CE1-CD 3.42Å; Y58-P85 HydrophobicContact CE1-CG 4.06Å; E83-P85 VanDerWaalsContact O-CD 3.27Å; E83-P85 WeakPolarHBondContact O-CD 3.5Å; P85-R87 PolarHBondContact O-N 3.09Å
86F78.4Confident89.2Confident136 Ų13649.9 Ų49.960%0.59623%0.229SC*.PPolyproline II helixtrans-63.6134.2174.1176.6-114.5000111.8Q125 F127F86-Q125 HydrophobicContact CD2-CB 4.2Å; F86-Q125 HydrophobicContact CE2-CB 4.39Å; F86-F127 HydrophobicContact CB-CD2 3.6Å; F86-F127 HydrophobicContact CB-CE2 3.54Å; F86-F127 AromaticContact CD2-CD2 3.29Å; F86-F127 HydrophobicContact CD2-CD2 3.29Å; F86-F127 AromaticContact CD2-CE2 3.56Å; F86-F127 HydrophobicContact CD2-CE2 3.56Å; F86-F127 HydrophobicContact CE2-CD2 4.2Å; F86-F127 AromaticContact CG-CD2 3.74Å; F86-F127 HydrophobicContact CG-CD2 3.74Å; F86-F127 AromaticContact CG-CE2 3.99Å; F86-F127 HydrophobicContact CG-CE2 3.99Å
87R77.9Confident89.2Confident68 Ų6849.9 Ų49.926%0.25723%0.229SC..  trans-145.2155.7169.8-66.3-165.3175.81175.9109.5P85 F89 D90P85-R87 PolarHBondContact O-N 3.09Å; R87-F89 PolarHBondContact O-N 3.02Å; R87-D90 IonicContact NH1-OD1 2.6Å
88E80.4Confident89.2Confident155 Ų15544.7 Ų44.772%0.72421%0.21SC*.SBendtrans-58.3-40.3175.5-166.4-179.5176.800111.6
89F85Confident89.3Confident83 Ų8344.8 Ų44.836%0.36421%0.21SC..  trans-156.5153.6175.853.7-95.8000112.5R87 Y91 T122 I123R87-F89 PolarHBondContact O-N 3.02Å; F89-Y91 HydrophobicContact CD2-CD2 4.26Å; F89-Y91 HydrophobicContact CD2-CE1 4.1Å; F89-Y91 AromaticContact CD2-CE2 3.38Å; F89-Y91 HydrophobicContact CD2-CE2 3.38Å; F89-Y91 AromaticContact CD2-CZ 3.27Å; F89-Y91 WeakPolarHBondContact CD2-OH 3.41Å; F89-Y91 AromaticContact CE2-CE2 3.42Å; F89-Y91 HydrophobicContact CE2-CE2 3.42Å; F89-Y91 VanDerWaalsContact CE2-CE2 3.42Å; F89-Y91 AromaticContact CE2-CZ 3.45Å; F89-Y91 VanDerWaalsContact CE2-CZ 3.45Å; F89-Y91 WeakPolarHBondContact CE2-OH 2.97Å; F89-T122 HydrophobicContact CB-CG2 3.78Å; F89-I123 WeakPolarHBondContact CA-O 3.37Å
90D89.7Confident89.3Confident5 Ų545 Ų453%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-125.8169.1160-78.1-75.8000109.1F59 R87 I123 Q125F59-D90 HydrophobicContact CD2-CB 4.5Å; F59-D90 HydrophobicContact CE2-CB 3.89Å; F59-D90 WeakPolarHBondContact CE2-OD2 3.15Å; R87-D90 IonicContact NH1-OD1 2.6Å; D90-I123 HydrophobicContact CB-CB 4.4Å; D90-I123 PolarHBondContact N-O 3.2Å; D90-I123 PolarHBondContact O-N 2.74Å; D90-Q125 PolarHBondContact OD2-NE2 3.14Å; D90-Q125 VanDerWaalsContact OD2-NE2 3.16Å
91Y91.8Very high89.4Confident79 Ų7949.5 Ų49.531%0.3123%0.231SC..EExtended strand (participates in β ladder)trans-127.3146.4-179.9-54.9-76.7000113.5S54 F89 L120 T122S54-Y91 WeakPolarHBondContact CB-O 3.47Å; S54-Y91 PolarHBondContact N-O 2.84Å; S54-Y91 PolarHBondContact OG-N 3.24Å; S54-Y91 PolarHBondContact OG-O 3.1Å; F89-Y91 HydrophobicContact CD2-CD2 4.26Å; F89-Y91 HydrophobicContact CD2-CE1 4.1Å; F89-Y91 AromaticContact CD2-CE2 3.38Å; F89-Y91 HydrophobicContact CD2-CE2 3.38Å; F89-Y91 AromaticContact CD2-CZ 3.27Å; F89-Y91 WeakPolarHBondContact CD2-OH 3.41Å; F89-Y91 AromaticContact CE2-CE2 3.42Å; F89-Y91 HydrophobicContact CE2-CE2 3.42Å; F89-Y91 VanDerWaalsContact CE2-CE2 3.42Å; F89-Y91 AromaticContact CE2-CZ 3.45Å; F89-Y91 VanDerWaalsContact CE2-CZ 3.45Å; F89-Y91 WeakPolarHBondContact CE2-OH 2.97Å; Y91-L120 HydrophobicContact CD1-CD1 3.99Å; Y91-L120 HydrophobicContact CD1-CD2 4.2Å; Y91-L120 HydrophobicContact CD1-CG 4.18Å; Y91-L120 HydrophobicContact CE1-CD2 4.43Å; Y91-L120 HydrophobicContact CG-CD1 4.13Å; Y91-T122 HydrophobicContact CD1-CG2 4.24Å; Y91-T122 HydrophobicContact CE1-CG2 3.93Å
92L93.6Very high89.4Confident2 Ų250.8 Ų50.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-114.7136.9165164142.6000109.2V51 E52 M53 P61 L76 I78 L120 I121 I123V51-L92 HydrophobicContact CG1-CD1 3.18Å; V51-L92 HydrophobicContact CG1-CG 3.65Å; E52-L92 CarbonylContact O-C 3.5Å; E52-L92 WeakPolarHBondContact O-CA 3.42Å; M53-L92 HydrophobicContact CE-CB 4.19Å; M53-L92 HydrophobicContact SD-CB 3.74Å; M53-L92 HydrophobicContact SD-CD1 3.73Å; M53-L92 HydrophobicContact SD-CG 4.1Å; P61-L92 HydrophobicContact CB-CD1 4.42Å; L76-L92 HydrophobicContact CD2-CD1 4.17Å; I78-L92 HydrophobicContact CD1-CD1 3.42Å; I78-L92 VanDerWaalsContact CD1-CD1 3.42Å; I78-L92 HydrophobicContact CG1-CD1 4.43Å; L92-L120 WeakPolarHBondContact O-CA 3.45Å; L92-I121 HydrophobicContact CB-CB 4.43Å; L92-I121 HydrophobicContact CD2-CB 3.65Å; L92-I121 HydrophobicContact CD2-CD1 3.66Å; L92-I121 HydrophobicContact CD2-CG1 3.69Å; L92-I121 PolarHBondContact N-O 2.82Å; L92-I121 PolarHBondContact O-N 2.81Å; L92-I123 HydrophobicContact CB-CD1 4.35Å
93V94.4Very high89.6Confident34 Ų3450 Ų5021%0.20624%0.236CC..EExtended strand (participates in β ladder)trans-116.5115172-177.50000108.8E52 K95 R118 K119 L120E52-V93 HydrophobicContact CB-CB 4.38Å; E52-V93 PolarHBondContact N-O 2.96Å; E52-V93 PolarHBondContact O-N 3.16Å; V93-K95 HydrophobicContact CG1-CG 4.12Å; V93-R118 HydrophobicContact CG1-CB 4.16Å; V93-K119 WeakPolarHBondContact CA-O 3.24Å; V93-L120 HydrophobicContact CG2-CD1 3.74Å
94L95.1Very high89.9Confident0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-87.3108.1169.9-176.270.8000108.8I15 L39 F49 V51 Y96 R118 K119I15-L94 HydrophobicContact CB-CD2 4.41Å; I15-L94 HydrophobicContact CD1-CD2 3.8Å; I15-L94 HydrophobicContact CG2-CD2 4.06Å; L39-L94 HydrophobicContact CD1-CD1 4.25Å; L39-L94 HydrophobicContact CD1-CD2 3.9Å; L39-L94 HydrophobicContact CD2-CD2 4.3Å; F49-L94 HydrophobicContact CB-CD1 3.73Å; F49-L94 HydrophobicContact CB-CG 4.4Å; F49-L94 HydrophobicContact CD2-CD1 3.36Å; F49-L94 HydrophobicContact CE2-CD1 4.09Å; F49-L94 HydrophobicContact CG-CD1 3.71Å; V51-L94 HydrophobicContact CG2-CD1 3.79Å; L94-Y96 HydrophobicContact CD2-CD1 4.42Å; L94-Y96 HydrophobicContact CG-CD1 4.2Å; L94-Y96 WeakPolarHBondContact O-CD1 3.31Å; L94-R118 CarbonylContact O-C 3.59Å; L94-R118 VanDerWaalsContact O-CA 3.3Å; L94-R118 WeakPolarHBondContact O-CA 3.3Å; L94-K119 HydrophobicContact CB-CB 4.25Å; L94-K119 PolarHBondContact N-O 3.15Å; L94-K119 PolarHBondContact O-N 3.02Å
95K95.7Very high90.2Very high32 Ų3256.4 Ų56.414%0.13928%0.275CS..EExtended strand (participates in β ladder)trans-93.9133.2172.5-70.4-174.2177.6170.50109.4F49 H50 E52 V93 F111 T116 K117 R118F49-K95 CarbonylContact C-O 3.6Å; F49-K95 WeakPolarHBondContact CA-O 3.28Å; F49-K95 WeakPolarHBondContact CB-O 3.47Å; H50-K95 PolarHBondContact N-O 2.83Å; H50-K95 PolarHBondContact O-N 2.95Å; E52-K95 WeakPolarHBondContact OE1-CE 3.47Å; E52-K95 IonicContact OE1-NZ 3.6Å; E52-K95 PolarHBondContact OE1-NZ 3.15Å; E52-K95 WeakPolarHBondContact OE2-CE 3.3Å; E52-K95 IonicContact OE2-NZ 2.69Å; E52-K95 PolarHBondContact OE2-NZ 2.81Å; V93-K95 HydrophobicContact CG1-CG 4.12Å; K95-F111 HydrophobicContact CB-CD1 4.26Å; K95-T116 HydrophobicContact CB-CG2 3.78Å; K95-T116 HydrophobicContact CG-CG2 4.31Å; K95-K117 WeakPolarHBondContact CA-O 3.43Å; K95-R118 HydrophobicContact CG-CG 4.23Å
96Y96.6Very high90.6Very high2 Ų254.7 Ų54.71%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-152.3153.4-175.661.9-83.8000114.2P11 D14 I15 V47 C48 L94 K117 K119P11-Y96 HydrophobicContact CB-CD2 4.25Å; P11-Y96 HydrophobicContact CB-CE2 4.07Å; P11-Y96 HydrophobicContact CG-CD2 3.63Å; P11-Y96 HydrophobicContact CG-CE2 3.85Å; D14-Y96 VanDerWaalsContact CA-OH 3.28Å; D14-Y96 WeakPolarHBondContact CA-OH 3.19Å; D14-Y96 WeakPolarHBondContact CB-OH 3.46Å; D14-Y96 PolarHBondContact OD1-OH 3.27Å; I15-Y96 HydrophobicContact CB-CE1 4.46Å; I15-Y96 HydrophobicContact CB-CE2 4.36Å; I15-Y96 HydrophobicContact CD1-CD1 3.79Å; I15-Y96 HydrophobicContact CD1-CD2 3.62Å; I15-Y96 HydrophobicContact CD1-CE1 4.25Å; I15-Y96 HydrophobicContact CD1-CE2 4.1Å; I15-Y96 HydrophobicContact CD1-CG 3.46Å; I15-Y96 VanDerWaalsContact CD1-CG 3.46Å; I15-Y96 HydrophobicContact CG1-CD1 4.43Å; I15-Y96 HydrophobicContact CG1-CD2 3.79Å; I15-Y96 HydrophobicContact CG1-CE1 4.44Å; I15-Y96 HydrophobicContact CG1-CE2 3.81Å; I15-Y96 HydrophobicContact CG1-CG 4.12Å; I15-Y96 PolarHBondContact N-OH 3.3Å; V47-Y96 HydrophobicContact CG1-CD2 3.99Å; V47-Y96 HydrophobicContact CG1-CG 4.24Å; C48-Y96 VanDerWaalsContact O-CA 3.27Å; C48-Y96 WeakPolarHBondContact O-CA 3.3Å; C48-Y96 WeakPolarHBondContact O-CB 3.48Å; L94-Y96 HydrophobicContact CD2-CD1 4.42Å; L94-Y96 HydrophobicContact CG-CD1 4.2Å; L94-Y96 WeakPolarHBondContact O-CD1 3.31Å; Y96-K117 HydrophobicContact CD1-CB 4.39Å; Y96-K117 WeakPolarHBondContact CD1-O 3.41Å; Y96-K117 HydrophobicContact CD2-CB 4.15Å; Y96-K117 HydrophobicContact CE1-CB 3.86Å; Y96-K117 HydrophobicContact CE2-CB 3.58Å; Y96-K117 HydrophobicContact CE2-CD 4.1Å; Y96-K117 HydrophobicContact CE2-CG 4.47Å; Y96-K117 VanDerWaalsContact CZ-CB 3.41Å; Y96-K117 PolarHBondContact N-O 2.91Å; Y96-K117 PolarHBondContact O-N 3.35Å; Y96-K119 HydrophobicContact CE1-CB 4.22Å
97I96.5Very high91.1Very high0 Ų051.5 Ų51.50%025%0.253CS..EExtended strand (participates in β ladder)trans-143.8154.6-178.957.5-179000110.5P8 V47 C48 V99 M110 F111 I115 T116P8-I97 HydrophobicContact CB-CD1 3.88Å; P8-I97 HydrophobicContact CG-CD1 4.46Å; V47-I97 VanDerWaalsContact CA-O 3.3Å; V47-I97 WeakPolarHBondContact CA-O 3.35Å; V47-I97 WeakPolarHBondContact CG1-O 3.35Å; C48-I97 PolarHBondContact N-O 3.18Å; C48-I97 PolarHBondContact O-N 2.65Å; C48-I97 VanDerWaalsContact O-N 3.12Å; C48-I97 WeakPolarHBondContact SG-CG1 3.48Å; I97-V99 HydrophobicContact CD1-CG1 4.21Å; I97-V99 HydrophobicContact CG1-CG1 4.09Å; I97-M110 HydrophobicContact CD1-CB 3.31Å; I97-M110 HydrophobicContact CD1-CG 4.38Å; I97-M110 WeakPolarHBondContact CD1-O 3.28Å; I97-M110 HydrophobicContact CD1-SD 4.43Å; I97-F111 HydrophobicContact CD1-CD1 4.3Å; I97-F111 HydrophobicContact CD1-CE1 4.23Å; I97-F111 HydrophobicContact CG1-CD1 4.31Å; I97-F111 HydrophobicContact CG1-CE1 3.97Å; I97-F111 HydrophobicContact CG2-CD1 4.3Å; I97-I115 HydrophobicContact CG2-CG1 4.27Å; I97-T116 HydrophobicContact CG2-CG2 4.22Å; I97-T116 WeakPolarHBondContact CG2-OG1 3.44Å
98C95.9Very high91.4Very high0 Ų053.2 Ų53.20%026%0.263CS..EExtended strand (participates in β ladder)trans-81.3136.9170.9-78.90000109.8P8 T9 P11 M45 K46P8-C98 CarbonylContact C-O 3.5Å; P8-C98 VanDerWaalsContact CA-O 3.27Å; P8-C98 WeakPolarHBondContact CA-O 3.15Å; T9-C98 PolarHBondContact N-O 3.08Å; T9-C98 PolarHBondContact O-N 3.37Å; T9-C98 WeakPolarHBondContact OG1-CB 3.38Å; P11-C98 VanDerWaalsContact CA-SG 3.57Å; M45-C98 HydrophobicContact CB-CB 4.13Å; M45-C98 HydrophobicContact CE-CB 4.4Å; M45-C98 HydrophobicContact SD-CB 4.16Å; K46-C98 WeakPolarHBondContact O-CA 3.36Å
99V94.6Very high91.8Very high2 Ų248.3 Ų48.31%0.01225%0.245CC..  trans-131.5162.4-180-640000110.3P8 K46 C48 F67 I97 T103 M110P8-V99 HydrophobicContact CB-CG1 4.35Å; P8-V99 HydrophobicContact CG-CG1 4.47Å; K46-V99 HydrophobicContact CB-CG2 4.26Å; K46-V99 HydrophobicContact CG-CG2 4.08Å; K46-V99 PolarHBondContact O-N 3.03Å; C48-V99 HydrophobicContact CB-CG1 4.25Å; C48-V99 HydrophobicContact CB-CG2 4.24Å; C48-V99 VanDerWaalsContact SG-CG1 3.59Å; F67-V99 HydrophobicContact CD1-CG2 4.19Å; F67-V99 HydrophobicContact CE1-CG2 4.11Å; I97-V99 HydrophobicContact CD1-CG1 4.21Å; I97-V99 HydrophobicContact CG1-CG1 4.09Å; V99-T103 HydrophobicContact CB-CG2 4.33Å; V99-T103 HydrophobicContact CG2-CG2 4.39Å; V99-M110 HydrophobicContact CG1-SD 4.47Å
100H91.9Very high91.8Very high47 Ų4746.2 Ų46.222%0.21824%0.237CC..  trans-64.6148173.9-170.4-97.5000111.2I5 T6 K46 N102 T103I5-H100 HydrophobicContact CG2-CB 4.49Å; T6-H100 PolarHBondContact OG1-CD2 2.8Å; T6-H100 VanDerWaalsContact OG1-CD2 3.23Å; K46-H100 WeakPolarHBondContact CE-O 3.47Å; H100-N102 PolarHBondContact CE1-ND2 2.84Å; H100-N102 PolarHBondContact ND1-N 2.76Å; H100-N102 VanDerWaalsContact ND1-N 3.16Å; H100-N102 PolarHBondContact O-N 3.38Å; H100-N102 VanDerWaalsContact O-N 3.15Å; H100-T103 PolarHBondContact N-OG1 3.16Å; H100-T103 VanDerWaalsContact O-CB 3.24Å; H100-T103 WeakPolarHBondContact O-CB 3.11Å; H100-T103 PolarHBondContact O-N 2.85Å; H100-T103 PolarHBondContact O-OG1 2.85Å
101E91.4Very high91.9Very high98 Ų9847 Ų4746%0.45824%0.241SC..THydrogen-bonded Turntrans-55.3-34.7-178.6-166.165.9-166.200112.7K46 T103K46-E101 WeakPolarHBondContact CE-O 3.27Å; K46-E101 PolarHBondContact NZ-O 2.93Å; E101-T103 VanDerWaalsContact C-N 3.28Å; E101-T103 PolarHBondContact O-N 3.46Å
102N90.6Very high91.5Very high97 Ų9750.5 Ų50.552%0.51926%0.26SS..THydrogen-bonded Turntrans-80.8-0.3-179.9-61-18.6000114.4H100 C104H100-N102 PolarHBondContact CE1-ND2 2.84Å; H100-N102 PolarHBondContact ND1-N 2.76Å; H100-N102 VanDerWaalsContact ND1-N 3.16Å; H100-N102 PolarHBondContact O-N 3.38Å; H100-N102 VanDerWaalsContact O-N 3.15Å; N102-C104 PolarHBondContact O-N 2.77Å
103T91.6Very high90.8Very high20 Ų2055.8 Ų55.812%0.12329%0.288CS..  trans-65.7119.5179-52.20000109.8K46 F67 V99 H100 E101 M110K46-T103 WeakPolarHBondContact CE-O 3.13Å; K46-T103 PolarHBondContact NZ-O 3.07Å; F67-T103 HydrophobicContact CE1-CG2 3.94Å; F67-T103 HydrophobicContact CZ-CG2 4.1Å; V99-T103 HydrophobicContact CB-CG2 4.33Å; V99-T103 HydrophobicContact CG2-CG2 4.39Å; H100-T103 PolarHBondContact N-OG1 3.16Å; H100-T103 VanDerWaalsContact O-CB 3.24Å; H100-T103 WeakPolarHBondContact O-CB 3.11Å; H100-T103 PolarHBondContact O-N 2.85Å; H100-T103 PolarHBondContact O-OG1 2.85Å; E101-T103 VanDerWaalsContact C-N 3.28Å; E101-T103 PolarHBondContact O-N 3.46Å; T103-M110 HydrophobicContact CG2-CE 4.19Å
104C89.7Confident90.1Very high121 Ų12157.6 Ų57.682%0.81831%0.313SS*.  trans-107.5-7.9-172.261.40000114.7N102N102-C104 PolarHBondContact O-N 2.77Å
105K91.4Very high89.9Confident150 Ų15060 Ų6065%0.65233%0.326SS*.SBendtrans-135.8138.6-179.7-174-177.8174.3-172.60110.7F67F67-K105 VanDerWaalsContact CZ-C 3.48Å
106V91.3Very high89.9Confident17 Ų1759.6 Ų59.610%0.10333%0.326CS..  trans-79.1118.2167.8-175.70000107.7C48 E65 F67 F111C48-V106 HydrophobicContact CB-CG2 4.24Å; E65-V106 HydrophobicContact CB-CB 4.31Å; E65-V106 HydrophobicContact CB-CG1 4.18Å; E65-V106 HydrophobicContact CB-CG2 4.43Å; E65-V106 HydrophobicContact CG-CG1 4.34Å; F67-V106 HydrophobicContact CD2-CG2 4.41Å; F67-V106 HydrophobicContact CE1-CG2 4.2Å; F67-V106 HydrophobicContact CE2-CG2 3.92Å; F67-V106 HydrophobicContact CZ-CG2 3.82Å; V106-F111 HydrophobicContact CG1-CE2 3.66Å; V106-F111 HydrophobicContact CG1-CZ 3.91Å
107D88Confident89.8Confident69 Ų6961.5 Ų61.537%0.36933%0.334SS..  trans-110125.8174.3-174.9-26.1000108.8S109 M110D107-S109 PolarHBondContact O-N 2.96Å; D107-S109 WeakPolarHBondContact OD1-CB 3.22Å; D107-S109 PolarHBondContact OD1-N 3.28Å; D107-S109 PolarHBondContact OD1-OG 2.78Å; D107-S109 PolarHBondContact OD2-OG 2.91Å; D107-M110 HydrophobicContact CB-CE 3.84Å; D107-M110 HydrophobicContact CB-CG 3.95Å; D107-M110 HydrophobicContact CB-SD 4.08Å; D107-M110 VanDerWaalsContact O-CB 3.26Å; D107-M110 WeakPolarHBondContact O-CB 3.36Å; D107-M110 VanDerWaalsContact O-CG 3.29Å; D107-M110 WeakPolarHBondContact O-CG 3.48Å; D107-M110 PolarHBondContact O-N 2.82Å
108K85.2Confident89.8Confident105 Ų10569.7 Ų69.746%0.45737%0.365SS..G310 helixtrans-62.6-31.4-176.2-70.9-174.3178.8178.60113E65 M110 F111E65-K108 WeakPolarHBondContact OE1-CE 3.5Å; E65-K108 IonicContact OE1-NZ 3.87Å; E65-K108 PolarHBondContact OE1-NZ 3.44Å; K108-M110 PolarHBondContact O-N 3.38Å; K108-M110 VanDerWaalsContact O-N 3.13Å; K108-F111 PolarHBondContact O-N 2.76Å
109S87.7Confident89.7Confident52 Ų5271.5 Ų71.536%0.36437%0.373SS..G310 helixtrans-60.2-23.3176.264.60000112.5D107 F111 E112 N113D107-S109 PolarHBondContact O-N 2.96Å; D107-S109 WeakPolarHBondContact OD1-CB 3.22Å; D107-S109 PolarHBondContact OD1-N 3.28Å; D107-S109 PolarHBondContact OD1-OG 2.78Å; D107-S109 PolarHBondContact OD2-OG 2.91Å; S109-F111 PolarHBondContact O-N 2.96Å; S109-E112 PolarHBondContact O-N 2.78Å; S109-N113 PolarHBondContact O-ND2 2.92Å
110M86.2Confident89.7Confident38 Ų3875.6 Ų75.619%0.18739%0.394CS..G310 helixtrans-65.8-25.2176.5-56.1173.9171.800112.6P8 I97 V99 T103 D107 K108P8-M110 HydrophobicContact CG-CB 4.48Å; P8-M110 HydrophobicContact CG-CG 4.34Å; I97-M110 HydrophobicContact CD1-CB 3.31Å; I97-M110 HydrophobicContact CD1-CG 4.38Å; I97-M110 WeakPolarHBondContact CD1-O 3.28Å; I97-M110 HydrophobicContact CD1-SD 4.43Å; V99-M110 HydrophobicContact CG1-SD 4.47Å; T103-M110 HydrophobicContact CG2-CE 4.19Å; D107-M110 HydrophobicContact CB-CE 3.84Å; D107-M110 HydrophobicContact CB-CG 3.95Å; D107-M110 HydrophobicContact CB-SD 4.08Å; D107-M110 VanDerWaalsContact O-CB 3.26Å; D107-M110 WeakPolarHBondContact O-CB 3.36Å; D107-M110 VanDerWaalsContact O-CG 3.29Å; D107-M110 WeakPolarHBondContact O-CG 3.48Å; D107-M110 PolarHBondContact O-N 2.82Å; K108-M110 PolarHBondContact O-N 3.38Å; K108-M110 VanDerWaalsContact O-N 3.13Å
111F89.9Confident89.8Confident23 Ų2373.4 Ų73.410%0.10138%0.384CS..G310 helixtrans-90-2.7-179.6-54.5-81.4000113.9H50 K95 I97 V106 K108 S109 T116H50-F111 HydrophobicContact CB-CD2 4.3Å; H50-F111 HydrophobicContact CB-CE1 4.44Å; H50-F111 HydrophobicContact CB-CE2 3.9Å; H50-F111 HydrophobicContact CB-CZ 3.97Å; K95-F111 HydrophobicContact CB-CD1 4.26Å; I97-F111 HydrophobicContact CD1-CD1 4.3Å; I97-F111 HydrophobicContact CD1-CE1 4.23Å; I97-F111 HydrophobicContact CG1-CD1 4.31Å; I97-F111 HydrophobicContact CG1-CE1 3.97Å; I97-F111 HydrophobicContact CG2-CD1 4.3Å; V106-F111 HydrophobicContact CG1-CE2 3.66Å; V106-F111 HydrophobicContact CG1-CZ 3.91Å; K108-F111 PolarHBondContact O-N 2.76Å; S109-F111 PolarHBondContact O-N 2.96Å; F111-T116 WeakPolarHBondContact CA-OG1 3.22Å; F111-T116 HydrophobicContact CB-CG2 4.47Å; F111-T116 HydrophobicContact CD1-CG2 3.95Å; F111-T116 PolarHBondContact O-OG1 3.18Å
112E85.2Confident89.9Confident152 Ų15269.8 Ų69.871%0.7137%0.369SS*.THydrogen-bonded Turntrans-88.9-17.4-176.5-64.8174.6177.500112.3S109 G114S109-E112 PolarHBondContact O-N 2.78Å; E112-G114 PolarHBondContact O-N 2.68Å; E112-G114 VanDerWaalsContact O-N 3.09Å
113N77.1Confident89.9Confident112 Ų11265.2 Ų65.260%0.59935%0.345SS*.SBendtrans-79.413.2-170.6-63.1-48.3000115.6S109 I115S109-N113 PolarHBondContact O-ND2 2.92Å; N113-I115 HydrophobicContact CB-CG1 4.3Å; N113-I115 PolarHBondContact O-N 2.94Å
114G81.3Confident89.8Confident72 Ų7267.2 Ų67.274%0.74235%0.352SS*.SBendtrans71.8-5.6176.600000116.4E112 T116E112-G114 PolarHBondContact O-N 2.68Å; E112-G114 VanDerWaalsContact O-N 3.09Å; G114-T116 VanDerWaalsContact C-N 3.27Å; G114-T116 PolarHBondContact O-N 3.29Å
115I91Very high89.4Confident51 Ų5162.1 Ų62.126%0.26232%0.316SS..  trans-85.75.7177.359.2169.1000113.6P8 M10 I97 N113P8-I115 HydrophobicContact CB-CD1 4.05Å; P8-I115 WeakPolarHBondContact O-CD1 3.4Å; M10-I115 VanDerWaalsContact CA-O 3.28Å; M10-I115 WeakPolarHBondContact CA-O 3.28Å; M10-I115 HydrophobicContact CB-CB 4.23Å; M10-I115 WeakPolarHBondContact CB-O 3.48Å; M10-I115 WeakPolarHBondContact CG-O 3.44Å; I97-I115 HydrophobicContact CG2-CG1 4.27Å; N113-I115 HydrophobicContact CB-CG1 4.3Å; N113-I115 PolarHBondContact O-N 2.94Å
116T94.5Very high88.7Confident23 Ų2360 Ų6014%0.14131%0.307CS..  trans-84.5132.3-173.2-57.50000112.1K95 I97 F111 G114K95-T116 HydrophobicContact CB-CG2 3.78Å; K95-T116 HydrophobicContact CG-CG2 4.31Å; I97-T116 HydrophobicContact CG2-CG2 4.22Å; I97-T116 WeakPolarHBondContact CG2-OG1 3.44Å; F111-T116 WeakPolarHBondContact CA-OG1 3.22Å; F111-T116 HydrophobicContact CB-CG2 4.47Å; F111-T116 HydrophobicContact CD1-CG2 3.95Å; F111-T116 PolarHBondContact O-OG1 3.18Å; G114-T116 VanDerWaalsContact C-N 3.27Å; G114-T116 PolarHBondContact O-N 3.29Å
117K95.9Very high87.6Confident43 Ų4361.6 Ų61.619%0.18731%0.312CS..EExtended strand (participates in β ladder)trans-87.8153.4166-79.2-173.5165-173.50111M10 P11 P12 D14 K95 Y96M10-K117 HydrophobicContact CG-CG 4.3Å; P11-K117 HydrophobicContact CB-CD 4.16Å; P11-K117 HydrophobicContact CG-CB 4.5Å; P11-K117 HydrophobicContact CG-CD 4.36Å; P11-K117 WeakPolarHBondContact O-CD 3.45Å; P11-K117 WeakPolarHBondContact O-CE 3.27Å; P11-K117 PolarHBondContact O-NZ 3.29Å; P12-K117 PolarHBondContact O-NZ 3.28Å; P12-K117 VanDerWaalsContact O-NZ 3.12Å; D14-K117 VanDerWaalsContact OD1-CD 3.24Å; D14-K117 WeakPolarHBondContact OD1-CD 3.43Å; D14-K117 VanDerWaalsContact OD1-CE 3.3Å; D14-K117 WeakPolarHBondContact OD1-CE 3.32Å; D14-K117 IonicContact OD1-NZ 3.38Å; D14-K117 PolarHBondContact OD1-NZ 2.87Å; K95-K117 WeakPolarHBondContact CA-O 3.43Å; Y96-K117 HydrophobicContact CD1-CB 4.39Å; Y96-K117 WeakPolarHBondContact CD1-O 3.41Å; Y96-K117 HydrophobicContact CD2-CB 4.15Å; Y96-K117 HydrophobicContact CE1-CB 3.86Å; Y96-K117 HydrophobicContact CE2-CB 3.58Å; Y96-K117 HydrophobicContact CE2-CD 4.1Å; Y96-K117 HydrophobicContact CE2-CG 4.47Å; Y96-K117 VanDerWaalsContact CZ-CB 3.41Å; Y96-K117 PolarHBondContact N-O 2.91Å; Y96-K117 PolarHBondContact O-N 3.35Å
118R94.6Very high86.5Confident171 Ų17164.1 Ų64.165%0.64532%0.317SS*.EExtended strand (participates in β ladder)trans-129.6135.1-177.3-53.9-172-178.1175.90.7109.6V93 L94 K95V93-R118 HydrophobicContact CG1-CB 4.16Å; L94-R118 CarbonylContact O-C 3.59Å; L94-R118 VanDerWaalsContact O-CA 3.3Å; L94-R118 WeakPolarHBondContact O-CA 3.3Å; K95-R118 HydrophobicContact CG-CG 4.23Å
119K94.2Very high85.3Confident38 Ų3865.2 Ų65.217%0.16533%0.333CS..EExtended strand (participates in β ladder)trans-118.9121.8168.5-173.9166.5-17259.50109C17 D21 V93 L94 Y96 I121C17-K119 HydrophobicContact CB-CD 4.36Å; D21-K119 WeakPolarHBondContact OD1-CE 3.18Å; D21-K119 IonicContact OD1-NZ 2.65Å; D21-K119 PolarHBondContact OD1-NZ 2.75Å; V93-K119 WeakPolarHBondContact CA-O 3.24Å; L94-K119 HydrophobicContact CB-CB 4.25Å; L94-K119 PolarHBondContact N-O 3.15Å; L94-K119 PolarHBondContact O-N 3.02Å; Y96-K119 HydrophobicContact CE1-CB 4.22Å; K119-I121 HydrophobicContact CG-CG1 4.45Å
120L95Very high84Confident89 Ų8967.3 Ų67.347%0.46634%0.34SS..EExtended strand (participates in β ladder)trans-88.3132.4175.2-174.170.3000108.4Y91 L92 V93Y91-L120 HydrophobicContact CD1-CD1 3.99Å; Y91-L120 HydrophobicContact CD1-CD2 4.2Å; Y91-L120 HydrophobicContact CD1-CG 4.18Å; Y91-L120 HydrophobicContact CE1-CD2 4.43Å; Y91-L120 HydrophobicContact CG-CD1 4.13Å; L92-L120 WeakPolarHBondContact O-CA 3.45Å; V93-L120 HydrophobicContact CG2-CD1 3.74Å
121I93.9Very high82.4Confident1 Ų176.8 Ų76.81%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-125.3122.7172.8-54.5-173.9000107.6C17 D21 I23 L37 L92 K119C17-I121 HydrophobicContact CB-CD1 4.26Å; D21-I121 CarbonylContact O-C 3.55Å; D21-I121 WeakPolarHBondContact O-CA 2.9Å; I23-I121 HydrophobicContact CG1-CG2 4.37Å; I23-I121 HydrophobicContact CG2-CG2 3.69Å; L37-I121 HydrophobicContact CD1-CD1 3.86Å; L37-I121 HydrophobicContact CD1-CG2 4.39Å; L92-I121 HydrophobicContact CB-CB 4.43Å; L92-I121 HydrophobicContact CD2-CB 3.65Å; L92-I121 HydrophobicContact CD2-CD1 3.66Å; L92-I121 HydrophobicContact CD2-CG1 3.69Å; L92-I121 PolarHBondContact N-O 2.82Å; L92-I121 PolarHBondContact O-N 2.81Å; K119-I121 HydrophobicContact CG-CG1 4.45Å
122T93.8Very high82Confident22 Ų2279.5 Ų79.514%0.13540%0.404CS..EExtended strand (participates in β ladder)trans-84.2132.5176.7-52.60000109.5D21 E22 I23 F89 Y91 K124D21-T122 PolarHBondContact O-N 2.69Å; E22-T122 CarbonylContact C-O 3.57Å; E22-T122 WeakPolarHBondContact CA-O 3.5Å; I23-T122 PolarHBondContact N-O 3.12Å; F89-T122 HydrophobicContact CB-CG2 3.78Å; Y91-T122 HydrophobicContact CD1-CG2 4.24Å; Y91-T122 HydrophobicContact CE1-CG2 3.93Å; T122-K124 HydrophobicContact CG2-CG 4.32Å
123I91.1Very high81.9Confident1 Ų175.6 Ų75.61%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-105.6108.1176.5-51.5177.6000107I23 I25 M53 F59 I78 F89 D90 L92I23-I123 HydrophobicContact CD1-CG1 4.02Å; I23-I123 HydrophobicContact CD1-CG2 4.33Å; I23-I123 HydrophobicContact CG1-CB 4.25Å; I23-I123 HydrophobicContact CG1-CG1 4Å; I23-I123 HydrophobicContact CG1-CG2 4.21Å; I25-I123 HydrophobicContact CD1-CG2 3.69Å; I25-I123 HydrophobicContact CG1-CG2 3.98Å; M53-I123 HydrophobicContact CE-CD1 3.4Å; F59-I123 HydrophobicContact CD1-CD1 4.46Å; F59-I123 HydrophobicContact CD2-CD1 4.48Å; F59-I123 HydrophobicContact CE1-CG2 3.97Å; F59-I123 HydrophobicContact CG-CD1 4.32Å; F59-I123 HydrophobicContact CZ-CG2 4.08Å; I78-I123 HydrophobicContact CG2-CD1 4.08Å; F89-I123 WeakPolarHBondContact CA-O 3.37Å; D90-I123 HydrophobicContact CB-CB 4.4Å; D90-I123 PolarHBondContact N-O 3.2Å; D90-I123 PolarHBondContact O-N 2.74Å; L92-I123 HydrophobicContact CB-CD1 4.35Å
124K89.4Confident82.1Confident62 Ų6273.6 Ų73.627%0.2738%0.376SS..EExtended strand (participates in β ladder)trans-92.4136.4173.4-70.3178.31771700109.2E22 I23 F24 I25 T122E22-K124 VanDerWaalsContact OE1-CE 3.3Å; E22-K124 WeakPolarHBondContact OE1-CE 3.42Å; E22-K124 IonicContact OE1-NZ 2.74Å; E22-K124 PolarHBondContact OE1-NZ 3.23Å; E22-K124 WeakPolarHBondContact OE2-CE 3.23Å; E22-K124 IonicContact OE2-NZ 2.81Å; E22-K124 PolarHBondContact OE2-NZ 2.8Å; I23-K124 PolarHBondContact O-N 2.77Å; F24-K124 WeakPolarHBondContact CA-O 3.31Å; F24-K124 HydrophobicContact CD1-CB 3.59Å; F24-K124 HydrophobicContact CD1-CD 4.36Å; F24-K124 HydrophobicContact CE1-CB 3.57Å; F24-K124 HydrophobicContact CE1-CD 3.5Å; F24-K124 HydrophobicContact CE1-CG 4.15Å; F24-K124 HydrophobicContact CE2-CD 4.37Å; F24-K124 HydrophobicContact CG-CB 4.34Å; F24-K124 HydrophobicContact CZ-CB 4.3Å; F24-K124 HydrophobicContact CZ-CD 3.51Å; F24-K124 HydrophobicContact CZ-CG 4.49Å; I25-K124 PolarHBondContact N-O 2.52Å; T122-K124 HydrophobicContact CG2-CG 4.32Å
125Q81.8Confident82.2Confident14 Ų1473.7 Ų73.77%0.06536%0.355CS..EExtended strand (participates in β ladder)trans-108.3140178.8-61.2-174.464.400109.7F59 F86 D90 F127F59-Q125 HydrophobicContact CZ-CG 4.26Å; F86-Q125 HydrophobicContact CD2-CB 4.2Å; F86-Q125 HydrophobicContact CE2-CB 4.39Å; D90-Q125 PolarHBondContact OD2-NE2 3.14Å; D90-Q125 VanDerWaalsContact OD2-NE2 3.16Å; Q125-F127 HydrophobicContact CB-CE2 4.19Å
126K75.2Confident81.6Confident106 Ų10675.1 Ų75.146%0.46136%0.361SS..EExtended strand (participates in β ladder)trans-130.4117.1168.6-173.4173.1165.8-137.80108.4I25 E26 Y128I25-K126 PolarHBondContact O-N 3.09Å; E26-K126 WeakPolarHBondContact CA-O 3.32Å; E26-K126 HydrophobicContact CG-CB 4.41Å; E26-K126 VanDerWaalsContact OE1-CD 3.31Å; E26-K126 WeakPolarHBondContact OE1-CD 3.47Å; E26-K126 WeakPolarHBondContact OE1-CE 3.45Å; E26-K126 IonicContact OE1-NZ 3.96Å; E26-K126 PolarHBondContact OE1-NZ 3.28Å; K126-Y128 PolarHBondContact NZ-OH 3.32Å
127F68.3Low80.8Confident50 Ų5078.6 Ų78.622%0.21938%0.375CS..PPolyproline II helixtrans-97142176-75.7-70.3000111.2A27 R80 F86 Q125A27-F127 WeakPolarHBondContact O-CD1 3.49Å; R80-F127 VanDerWaalsContact CZ-CZ 3.46Å; F86-F127 HydrophobicContact CB-CD2 3.6Å; F86-F127 HydrophobicContact CB-CE2 3.54Å; F86-F127 AromaticContact CD2-CD2 3.29Å; F86-F127 HydrophobicContact CD2-CD2 3.29Å; F86-F127 AromaticContact CD2-CE2 3.56Å; F86-F127 HydrophobicContact CD2-CE2 3.56Å; F86-F127 HydrophobicContact CE2-CD2 4.2Å; F86-F127 AromaticContact CG-CD2 3.74Å; F86-F127 HydrophobicContact CG-CD2 3.74Å; F86-F127 AromaticContact CG-CE2 3.99Å; F86-F127 HydrophobicContact CG-CE2 3.99Å; Q125-F127 HydrophobicContact CB-CE2 4.19Å
128Y64.9Low79.7Confident122 Ų12281.1 Ų81.148%0.47839%0.389SS..PPolyproline II helixtrans-93.7135.5155-62.7-75.3000107.4E26 K126 D130E26-Y128 HydrophobicContact CG-CD2 4.25Å; E26-Y128 HydrophobicContact CG-CE2 3.45Å; E26-Y128 VanDerWaalsContact CG-CE2 3.45Å; E26-Y128 VanDerWaalsContact OE1-CE2 3.23Å; E26-Y128 WeakPolarHBondContact OE1-CE2 3.43Å; E26-Y128 PolarHBondContact OE1-OH 3.41Å; K126-Y128 PolarHBondContact NZ-OH 3.32Å; Y128-D130 PolarHBondContact O-N 3.22Å
129V59.8Low78.5Confident128 Ų12874.2 Ų74.278%0.77637%0.369SS*.PPolyproline II helixtrans-71.7122166-174.30000105.6L131V129-L131 PolarHBondContact O-N 3.04Å
130D60.8Low77.2Confident96 Ų9677.3 Ų77.351%0.51339%0.386SS..  trans-62.1108.5168-69.9-26.8000106.7P28 S30 Y128P28-D130 WeakPolarHBondContact CB-OD1 3.3Å; S30-D130 PolarHBondContact OG-OD2 3.22Å; Y128-D130 PolarHBondContact O-N 3.22Å
131L53Low75.6Confident236 Ų23676.2 Ų76.2100%1.23638%0.379SS*.  trans-76.50175.6-78.2169.5000111.1V129V129-L131 PolarHBondContact O-N 3.04Å

Retrieved 131 of 131 residues in 103.9 ms (Link to these results)

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