A0A077Z9E7_TRITR Loading...

DSPc domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.4Very low75.8Confident228 Ų22886.6 Ų86.6100%1.12348%0.475SS*.  0126.20-75.5174.6138.300107.7K3M1-K3 PolarHBondContact O-N 3.41Å
2P46.3Very low77.5Confident97 Ų9786.3 Ų86.363%0.6347%0.469SS*.  trans-60.7131.2173.6-2.313.4000108.2K4P2-K4 PolarHBondContact O-N 3.39Å; P2-K4 VanDerWaalsContact O-N 3.15Å
3K50.8Low79Confident165 Ų16589.5 Ų89.572%0.71749%0.486SS*.  trans-51.8122.1179.6-73.4-179.1177.4177.40109.6M1 G5M1-K3 PolarHBondContact O-N 3.41Å; K3-G5 PolarHBondContact O-N 2.85Å
4K59.6Low80.4Confident221 Ų22186.1 Ų86.196%0.96146%0.463SS*.THydrogen-bonded Turntrans-54.8114.5178.9-77.1-177.1176.2179.60109.1P2P2-K4 PolarHBondContact O-N 3.39Å; P2-K4 VanDerWaalsContact O-N 3.15Å
5G71.7Confident81.6Confident53 Ų5384.9 Ų84.955%0.54646%0.46SS..THydrogen-bonded Turntrans89.14.1165.500000118.3K3 L37K3-G5 PolarHBondContact O-N 2.85Å; G5-L37 WeakPolarHBondContact O-CD2 3.19Å
6G89.9Confident82.6Confident18 Ų1882.5 Ų82.519%0.18644%0.444CS..SBendtrans-106.6-176.6-176.700000115.6R75G6-R75 PolarHBondContact O-NH1 3.04Å; G6-R75 PolarHBondContact O-NH2 3.1Å
7I95.5Very high83.5Confident36 Ų3678.7 Ų78.719%0.18542%0.423CS..SBendtrans-52.2133167.9-54.8-61.6000109.3W11 L33 L37 L40 L41I7-W11 HydrophobicContact CG2-CB 3.92Å; I7-W11 HydrophobicContact CG2-CD2 4.44Å; I7-W11 HydrophobicContact CG2-CE3 4.24Å; I7-W11 HydrophobicContact CG2-CG 4.37Å; I7-L33 HydrophobicContact CD1-CD1 3.57Å; I7-L37 HydrophobicContact CD1-CB 4.32Å; I7-L37 WeakPolarHBondContact CD1-O 3.42Å; I7-L40 HydrophobicContact CD1-CB 4.41Å; I7-L40 HydrophobicContact CG1-CB 4.31Å; I7-L41 HydrophobicContact CD1-CD2 3.67Å; I7-L41 HydrophobicContact CD1-CG 3.92Å; I7-L41 HydrophobicContact CG1-CD2 3.92Å; I7-L41 HydrophobicContact CG2-CD2 4.25Å
8P94.8Very high84.3Confident7 Ų774.4 Ų74.45%0.04540%0.4CS..PPolyproline II helixtrans-58.9143175.58.3-12.5000112.4G10 W11 T31 L33 Y76 T135P8-G10 PolarHBondContact O-N 3.24Å; P8-W11 HydrophobicContact CB-CB 4.26Å; P8-W11 HydrophobicContact CG-CB 3.88Å; P8-W11 HydrophobicContact CG-CG 3.96Å; P8-W11 WeakPolarHBondContact O-CB 2.97Å; P8-W11 PolarHBondContact O-N 2.81Å; P8-T31 HydrophobicContact CG-CG2 4.42Å; P8-L33 HydrophobicContact CG-CD2 4.48Å; P8-Y76 HydrophobicContact CB-CE1 4.11Å; P8-Y76 HydrophobicContact CG-CD1 4.28Å; P8-Y76 HydrophobicContact CG-CE1 3.49Å; P8-Y76 VanDerWaalsContact CG-CE1 3.49Å; P8-T135 HydrophobicContact CB-CG2 3.45Å; P8-T135 VanDerWaalsContact CB-CG2 3.45Å; P8-T135 HydrophobicContact CG-CG2 3.9Å
9D94.1Very high85.1Confident97 Ų9774.7 Ų74.752%0.51940%0.402SS..THydrogen-bonded Turntrans-56.8131.9-178.4-61-37000111.1W11 H136D9-W11 PolarHBondContact O-N 2.98Å; D9-H136 PolarHBondContact O-NE2 3.16Å
10G95.3Very high85.7Confident30 Ų3072.5 Ų72.531%0.30939%0.387SS..THydrogen-bonded Turntrans69.64.4-179.300000115.6P8 M12 N13 Y14P8-G10 PolarHBondContact O-N 3.24Å; G10-M12 PolarHBondContact O-N 3.14Å; G10-M12 VanDerWaalsContact O-N 3.16Å; G10-N13 VanDerWaalsContact O-CB 3.28Å; G10-N13 WeakPolarHBondContact O-CB 3.44Å; G10-N13 PolarHBondContact O-N 3.13Å; G10-Y14 VanDerWaalsContact O-CD2 3.26Å; G10-Y14 WeakPolarHBondContact O-CD2 3.3Å; G10-Y14 WeakPolarHBondContact O-CE2 3.44Å
11W97.5Very high86.3Confident1 Ų169.1 Ų69.10%0.00437%0.369CS..G310 helixtrans-58.4-31.1-176.4-178.392000114.3I7 P8 D9 N13 K30 T31 L33 L41 F46 Y48I7-W11 HydrophobicContact CG2-CB 3.92Å; I7-W11 HydrophobicContact CG2-CD2 4.44Å; I7-W11 HydrophobicContact CG2-CE3 4.24Å; I7-W11 HydrophobicContact CG2-CG 4.37Å; P8-W11 HydrophobicContact CB-CB 4.26Å; P8-W11 HydrophobicContact CG-CB 3.88Å; P8-W11 HydrophobicContact CG-CG 3.96Å; P8-W11 WeakPolarHBondContact O-CB 2.97Å; P8-W11 PolarHBondContact O-N 2.81Å; D9-W11 PolarHBondContact O-N 2.98Å; W11-N13 VanDerWaalsContact C-N 3.3Å; W11-N13 PolarHBondContact O-N 2.63Å; W11-K30 HydrophobicContact CD2-CD 4.11Å; W11-K30 VanDerWaalsContact CE2-CE 3.47Å; W11-K30 HydrophobicContact CG-CD 4.46Å; W11-K30 HydrophobicContact CZ2-CD 4.03Å; W11-K30 HydrophobicContact CZ2-CG 4.25Å; W11-K30 PolarHBondContact O-NZ 3.44Å; W11-T31 WeakPolarHBondContact CZ2-O 3.24Å; W11-T31 PolarHBondContact NE1-O 2.86Å; W11-L33 HydrophobicContact CD2-CD1 3.99Å; W11-L33 HydrophobicContact CE3-CD1 4.17Å; W11-L33 HydrophobicContact CH2-CD1 3.79Å; W11-L33 HydrophobicContact CH2-CG 4.32Å; W11-L33 HydrophobicContact CZ2-CD1 3.57Å; W11-L33 HydrophobicContact CZ2-CG 3.7Å; W11-L33 HydrophobicContact CZ3-CD1 4.09Å; W11-L41 HydrophobicContact CE3-CD2 4.24Å; W11-L41 HydrophobicContact CH2-CD1 4.34Å; W11-L41 HydrophobicContact CZ3-CD1 4.03Å; W11-L41 HydrophobicContact CZ3-CD2 3.93Å; W11-F46 WeakPolarHBondContact CH2-O 3.15Å; W11-Y48 HydrophobicContact CZ2-CD1 4.13Å; W11-Y48 HydrophobicContact CZ2-CG 4.5Å
12M96.6Very high89.1Confident82 Ų8261.8 Ų61.840%0.40434%0.339SS..G310 helixtrans-74.9-17.2176.7-66.9-174-69.600113.4G10 Y14 L41 P42 F46G10-M12 PolarHBondContact O-N 3.14Å; G10-M12 VanDerWaalsContact O-N 3.16Å; M12-Y14 PolarHBondContact O-N 2.82Å; M12-L41 HydrophobicContact CG-CD2 4.05Å; M12-L41 HydrophobicContact SD-CD2 3.84Å; M12-P42 HydrophobicContact CE-CG 4.41Å; M12-P42 HydrophobicContact SD-CG 3.87Å; M12-F46 HydrophobicContact SD-CG 4.42Å
13N97.2Very high91.4Very high128 Ų12859.3 Ų59.368%0.68433%0.331SS*.G310 helixtrans-74.2-10.8-179.4-58.5-5.5000112.6G10 W11G10-N13 VanDerWaalsContact O-CB 3.28Å; G10-N13 WeakPolarHBondContact O-CB 3.44Å; G10-N13 PolarHBondContact O-N 3.13Å; W11-N13 VanDerWaalsContact C-N 3.3Å; W11-N13 PolarHBondContact O-N 2.63Å
14Y98.1Very high93.7Very high43 Ų4351.4 Ų51.417%0.16930%0.296CS..SBendtrans-111.8139.5-177.9-58.5-92.6000110.4G10 M12 K30 H136 V138 H170 D173G10-Y14 VanDerWaalsContact O-CD2 3.26Å; G10-Y14 WeakPolarHBondContact O-CD2 3.3Å; G10-Y14 WeakPolarHBondContact O-CE2 3.44Å; M12-Y14 PolarHBondContact O-N 2.82Å; Y14-K30 WeakPolarHBondContact O-CD 3.45Å; Y14-K30 PolarHBondContact O-NZ 3.43Å; Y14-H136 HydrophobicContact CD1-CB 4.15Å; Y14-H136 HydrophobicContact CD2-CB 3.72Å; Y14-H136 AromaticContact CD2-CD2 3.47Å; Y14-H136 VanDerWaalsContact CD2-CD2 3.47Å; Y14-H136 WeakPolarHBondContact CD2-CD2 3.46Å; Y14-H136 AromaticContact CD2-CG 3.88Å; Y14-H136 HydrophobicContact CE1-CB 4.1Å; Y14-H136 HydrophobicContact CE2-CB 3.68Å; Y14-H136 AromaticContact CE2-CD2 3.26Å; Y14-H136 WeakPolarHBondContact CE2-CD2 3.34Å; Y14-H136 AromaticContact CE2-CG 3.55Å; Y14-H136 HydrophobicContact CG-CB 3.95Å; Y14-V138 HydrophobicContact CD1-CG2 3.54Å; Y14-V138 HydrophobicContact CE1-CB 4.42Å; Y14-V138 HydrophobicContact CE1-CG2 3.61Å; Y14-H170 AromaticContact CD1-CE1 3.99Å; Y14-H170 AromaticContact CD1-CG 3.96Å; Y14-H170 AromaticContact CD1-ND1 3.63Å; Y14-D173 PolarHBondContact OH-OD2 3.07Å
15T98Very high95.5Very high68 Ų6840.9 Ų40.942%0.41725%0.251SS..  trans-60150.3172.154.80000109.9L17 R168 H170T15-L17 PolarHBondContact O-N 3.16Å; T15-R168 PolarHBondContact O-NH1 3.14Å; T15-R168 PolarHBondContact O-NH2 2.97Å; T15-R168 PolarHBondContact OG1-NH1 2.81Å; T15-H170 PolarHBondContact N-NE2 3.16Å; T15-H170 PolarHBondContact OG1-CD2 2.79Å; T15-H170 PolarHBondContact OG1-NE2 3.18Å
16K98.3Very high96.8Very high46 Ų4638.4 Ų38.420%0.223%0.225CC..SBendtrans-58.3-50.6-174.1-64.6177.1-174.6-177.70112.3S29 K30 D45 S47 Y48 K56K16-S29 PolarHBondContact O-OG 3.3Å; K16-K30 PolarHBondContact O-N 3.29Å; K16-D45 WeakPolarHBondContact CE-O 3.08Å; K16-D45 PolarHBondContact NZ-O 2.62Å; K16-S47 WeakPolarHBondContact CE-O 3.49Å; K16-S47 PolarHBondContact NZ-O 3.31Å; K16-Y48 HydrophobicContact CB-CD1 4.11Å; K16-Y48 HydrophobicContact CB-CD2 3.86Å; K16-Y48 HydrophobicContact CB-CE1 4.15Å; K16-Y48 HydrophobicContact CB-CE2 3.92Å; K16-Y48 HydrophobicContact CB-CG 3.96Å; K16-Y48 HydrophobicContact CD-CD2 3.79Å; K16-Y48 HydrophobicContact CD-CG 4.02Å; K16-Y48 HydrophobicContact CG-CD1 4.34Å; K16-Y48 HydrophobicContact CG-CD2 4.01Å; K16-Y48 HydrophobicContact CG-CG 3.89Å; K16-Y48 WeakPolarHBondContact O-CE1 3.32Å; K16-K56 HydrophobicContact CD-CD 4.32Å
17L97.9Very high97.2Very high18 Ų1837.5 Ų37.59%0.09422%0.216CC..EExtended strand (participates in β ladder)trans-143.4145.4-169.4-173.873000109.7T15 I27 K56 I57 K60T15-L17 PolarHBondContact O-N 3.16Å; L17-I27 HydrophobicContact CD1-CG2 3.51Å; L17-I27 HydrophobicContact CD2-CG2 4.45Å; L17-I27 HydrophobicContact CG-CG2 3.9Å; L17-K56 HydrophobicContact CD2-CB 3.94Å; L17-I57 HydrophobicContact CD1-CD1 4.05Å; L17-I57 HydrophobicContact CD1-CG1 3.95Å; L17-I57 HydrophobicContact CD2-CD1 4.49Å; L17-I57 HydrophobicContact CD2-CG1 3.51Å; L17-I57 HydrophobicContact CG-CG1 4.34Å; L17-K60 HydrophobicContact CD2-CD 4.44Å
18G98Very high97.4Very high1 Ų136 Ų361%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-84.7-172.2166.500000113.4A28 K60 S167G18-A28 PolarHBondContact N-O 3.03Å; G18-K60 PolarHBondContact O-NZ 3.31Å; G18-S167 CarbonylContact C-O 3.44Å; G18-S167 WeakPolarHBondContact CA-O 3.45Å
19D98.5Very high97.6Very high80 Ų8035.7 Ų35.743%0.42821%0.206SC..EExtended strand (participates in β ladder)trans-89.5166.4164-65.3-48.3000110.8K60 S167D19-K60 WeakPolarHBondContact OD1-CE 3.26Å; D19-K60 IonicContact OD1-NZ 3.41Å; D19-K60 PolarHBondContact OD1-NZ 3.06Å; D19-S167 PolarHBondContact N-O 2.99Å
20R98.3Very high97.8Very high30 Ų3031.3 Ų31.311%0.11318%0.183CC..EExtended strand (participates in β ladder)trans-64.2133169-176.2-179.9176.31791.9109.4P22 T24 F26 I27 Y122 D126 E127 V129R20-P22 WeakPolarHBondContact O-CD 3.33Å; R20-T24 WeakPolarHBondContact CG-O 3.37Å; R20-T24 PolarHBondContact NE-O 3.43Å; R20-F26 WeakPolarHBondContact CA-O 3.16Å; R20-I27 HydrophobicContact CB-CD1 4.32Å; R20-I27 HydrophobicContact CB-CG1 3.87Å; R20-I27 HydrophobicContact CG-CG1 4.38Å; R20-Y122 PolarHBondContact NH2-OH 2.82Å; R20-D126 PolarHBondContact NH1-O 2.89Å; R20-D126 PolarHBondContact NH2-O 2.7Å; R20-E127 IonicContact NH1-OE2 2.81Å; R20-V129 HydrophobicContact CG-CG1 4.38Å
21I98.2Very high97.9Very high2 Ų229.9 Ų29.91%0.0117%0.168CC..PPolyproline II helixtrans-69.4121.7172.1-59.9170.8000107.2G23 T24 F26 I145 W155 Q163 F164I21-G23 PolarHBondContact O-N 3.43Å; I21-T24 HydrophobicContact CB-CG2 4.33Å; I21-T24 WeakPolarHBondContact CB-OG1 3.44Å; I21-T24 HydrophobicContact CG2-CG2 3.94Å; I21-T24 PolarHBondContact O-N 3.31Å; I21-T24 PolarHBondContact O-OG1 3.44Å; I21-F26 HydrophobicContact CD1-CB 4.27Å; I21-F26 PolarHBondContact N-O 3.4Å; I21-I145 HydrophobicContact CD1-CG2 3.6Å; I21-W155 HydrophobicContact CG2-CH2 4.47Å; I21-W155 HydrophobicContact CG2-CZ3 4.46Å; I21-Q163 HydrophobicContact CG2-CB 4.25Å; I21-F164 HydrophobicContact CD1-CB 4.33Å; I21-F164 HydrophobicContact CD1-CD2 3.92Å
22P96.3Very high98Very high75 Ų7529.9 Ų29.949%0.48717%0.168SC..THydrogen-bonded Turntrans-50.3134.8-173-29.535.5000113R20 T24 W155R20-P22 WeakPolarHBondContact O-CD 3.33Å; P22-T24 PolarHBondContact O-N 3.03Å; P22-W155 WeakPolarHBondContact O-CH2 3.5Å
23G95.6Very high98.1Very high44 Ų4426 Ų2645%0.45415%0.149SC..THydrogen-bonded Turntrans74.7-1.6179.400000115.8I21 Y122I21-G23 PolarHBondContact O-N 3.43Å; G23-Y122 PolarHBondContact O-OH 3.4Å
24T97.7Very high98.1Very high0 Ų021.5 Ų21.50%013%0.128CC..SBendtrans-120.4159-177.883.20000111.5R20 I21 P22 F26 Y122 L149 W155R20-T24 WeakPolarHBondContact CG-O 3.37Å; R20-T24 PolarHBondContact NE-O 3.43Å; I21-T24 HydrophobicContact CB-CG2 4.33Å; I21-T24 WeakPolarHBondContact CB-OG1 3.44Å; I21-T24 HydrophobicContact CG2-CG2 3.94Å; I21-T24 PolarHBondContact O-N 3.31Å; I21-T24 PolarHBondContact O-OG1 3.44Å; P22-T24 PolarHBondContact O-N 3.03Å; T24-F26 HydrophobicContact CG2-CD2 4.47Å; T24-F26 PolarHBondContact O-N 3.46Å; T24-F26 PolarHBondContact OG1-N 2.82Å; T24-F26 VanDerWaalsContact OG1-N 3.17Å; T24-Y122 WeakPolarHBondContact CA-OH 3.32Å; T24-Y122 PolarHBondContact O-OH 2.72Å; T24-L149 HydrophobicContact CG2-CD1 3.99Å; T24-L149 HydrophobicContact CG2-CD2 3.72Å; T24-W155 HydrophobicContact CG2-CH2 3.59Å; T24-W155 HydrophobicContact CG2-CZ2 3.5Å; T24-W155 HydrophobicContact CG2-CZ3 4.47Å
25P98.2Very high98.1Very high0 Ų024.9 Ų24.90%015%0.149CC..SBendtrans-76.62.7174.631.5-34.9000112.7F116 Y122 V129 I130P25-F116 HydrophobicContact CB-CE1 3.88Å; P25-F116 HydrophobicContact CB-CZ 4.3Å; P25-F116 HydrophobicContact CG-CE1 4.5Å; P25-Y122 HydrophobicContact CB-CD2 4.12Å; P25-Y122 HydrophobicContact CB-CE2 3.61Å; P25-Y122 HydrophobicContact CG-CE1 4.49Å; P25-Y122 HydrophobicContact CG-CE2 4.35Å; P25-Y122 VanDerWaalsContact N-OH 3.11Å; P25-V129 CarbonylContact O-C 3.44Å; P25-V129 WeakPolarHBondContact O-CA 3.1Å; P25-V129 VanDerWaalsContact O-CB 3.27Å; P25-V129 WeakPolarHBondContact O-CB 3.21Å; P25-I130 HydrophobicContact CB-CD1 4.34Å; P25-I130 HydrophobicContact CB-CG1 4.17Å; P25-I130 HydrophobicContact CG-CD1 4.02Å; P25-I130 HydrophobicContact CG-CG1 4.38Å; P25-I130 PolarHBondContact O-N 3.06Å
26F98.8Very high98Very high0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-91.1129.2-164.2-61.1-63.5000113.5R20 I21 T24 F109 V113 I130 V132 I145 Y148 L149R20-F26 WeakPolarHBondContact CA-O 3.16Å; I21-F26 HydrophobicContact CD1-CB 4.27Å; I21-F26 PolarHBondContact N-O 3.4Å; T24-F26 HydrophobicContact CG2-CD2 4.47Å; T24-F26 PolarHBondContact O-N 3.46Å; T24-F26 PolarHBondContact OG1-N 2.82Å; T24-F26 VanDerWaalsContact OG1-N 3.17Å; F26-F109 HydrophobicContact CE1-CE1 4.3Å; F26-F109 AromaticContact CE1-CZ 3.96Å; F26-F109 HydrophobicContact CE1-CZ 3.96Å; F26-F109 HydrophobicContact CZ-CE1 4.35Å; F26-F109 HydrophobicContact CZ-CZ 4.43Å; F26-V113 HydrophobicContact CE1-CG1 4.17Å; F26-V113 HydrophobicContact CE1-CG2 3.71Å; F26-V113 HydrophobicContact CZ-CB 4.4Å; F26-V113 HydrophobicContact CZ-CG1 3.7Å; F26-V113 HydrophobicContact CZ-CG2 3.79Å; F26-I130 HydrophobicContact CD1-CB 4.18Å; F26-I130 HydrophobicContact CD1-CG2 4.47Å; F26-I130 HydrophobicContact CE1-CB 4.45Å; F26-I130 HydrophobicContact CE1-CD1 4.05Å; F26-V132 HydrophobicContact CD1-CG2 3.95Å; F26-V132 HydrophobicContact CE1-CG2 4.4Å; F26-I145 HydrophobicContact CB-CD1 4.14Å; F26-I145 HydrophobicContact CB-CG1 4.28Å; F26-I145 HydrophobicContact CB-CG2 4.11Å; F26-I145 HydrophobicContact CD1-CG1 4.04Å; F26-I145 HydrophobicContact CD2-CG2 3.76Å; F26-I145 HydrophobicContact CE1-CG1 4.49Å; F26-I145 HydrophobicContact CE2-CG2 4.31Å; F26-I145 HydrophobicContact CG-CD1 4.46Å; F26-I145 HydrophobicContact CG-CG1 4.06Å; F26-I145 HydrophobicContact CG-CG2 3.94Å; F26-Y148 AromaticContact CE2-CD1 3.73Å; F26-Y148 HydrophobicContact CE2-CD1 3.73Å; F26-Y148 AromaticContact CE2-CE1 3.88Å; F26-Y148 HydrophobicContact CE2-CE1 3.88Å; F26-Y148 AromaticContact CZ-CD1 3.58Å; F26-Y148 HydrophobicContact CZ-CD1 3.58Å; F26-Y148 AromaticContact CZ-CE1 3.74Å; F26-Y148 HydrophobicContact CZ-CE1 3.74Å; F26-Y148 HydrophobicContact CZ-CG 4.46Å; F26-L149 HydrophobicContact CD2-CD1 4.28Å; F26-L149 HydrophobicContact CD2-CD2 4.28Å; F26-L149 HydrophobicContact CD2-CG 4.38Å; F26-L149 HydrophobicContact CE2-CD1 4.45Å; F26-L149 HydrophobicContact CE2-CD2 3.87Å; F26-L149 HydrophobicContact CE2-CG 4.06Å
27I98.7Very high97.9Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-120.2125.7161.2-57.2179.1000108.2L17 R20 I57 H62 V129 I130 C131 V132L17-I27 HydrophobicContact CD1-CG2 3.51Å; L17-I27 HydrophobicContact CD2-CG2 4.45Å; L17-I27 HydrophobicContact CG-CG2 3.9Å; R20-I27 HydrophobicContact CB-CD1 4.32Å; R20-I27 HydrophobicContact CB-CG1 3.87Å; R20-I27 HydrophobicContact CG-CG1 4.38Å; I27-I57 HydrophobicContact CD1-CB 4.49Å; I27-I57 HydrophobicContact CD1-CD1 4.39Å; I27-I57 HydrophobicContact CD1-CG1 4.08Å; I27-I57 HydrophobicContact CD1-CG2 3.73Å; I27-H62 HydrophobicContact CD1-CB 4.42Å; I27-V129 HydrophobicContact CD1-CB 4.15Å; I27-V129 HydrophobicContact CD1-CG1 4.08Å; I27-V129 HydrophobicContact CD1-CG2 3.86Å; I27-V129 HydrophobicContact CG1-CB 4.28Å; I27-V129 HydrophobicContact CG1-CG1 4.28Å; I27-V129 HydrophobicContact CG1-CG2 4.45Å; I27-I130 PolarHBondContact N-O 2.67Å; I27-C131 WeakPolarHBondContact O-CA 3.39Å; I27-V132 PolarHBondContact O-N 2.94Å
28A98.8Very high97.9Very high4 Ų429.8 Ų29.83%0.03316%0.16CC..EExtended strand (participates in β ladder)trans-89.8137.4176.200000111.4G18 V132 I145 F164G18-A28 PolarHBondContact N-O 3.03Å; A28-V132 WeakPolarHBondContact CA-O 3.2Å; A28-I145 HydrophobicContact CB-CD1 4.19Å; A28-F164 HydrophobicContact CB-CE2 3.6Å; A28-F164 HydrophobicContact CB-CZ 4.13Å
29S98.8Very high97.8Very high0 Ų033.7 Ų33.70%019%0.192CC..EExtended strand (participates in β ladder)trans-137.9152.1-177.6-167.60000112.6K16 Y48 V132 H133 G137K16-S29 PolarHBondContact O-OG 3.3Å; S29-Y48 WeakPolarHBondContact OG-CE1 3.38Å; S29-Y48 PolarHBondContact OG-OH 3.25Å; S29-V132 PolarHBondContact N-O 2.91Å; S29-H133 WeakPolarHBondContact O-CA 3.16Å; S29-H133 WeakPolarHBondContact O-CB 3.19Å; S29-G137 VanDerWaalsContact C-CA 3.49Å; S29-G137 WeakPolarHBondContact O-CA 3.43Å
30K98.6Very high97.7Very high6 Ų635 Ų353%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-71.9160.5161.774.6-174.7-177174.20109.2W11 Y14 K16 Y48 H136W11-K30 HydrophobicContact CD2-CD 4.11Å; W11-K30 VanDerWaalsContact CE2-CE 3.47Å; W11-K30 HydrophobicContact CG-CD 4.46Å; W11-K30 HydrophobicContact CZ2-CD 4.03Å; W11-K30 HydrophobicContact CZ2-CG 4.25Å; W11-K30 PolarHBondContact O-NZ 3.44Å; Y14-K30 WeakPolarHBondContact O-CD 3.45Å; Y14-K30 PolarHBondContact O-NZ 3.43Å; K16-K30 PolarHBondContact O-N 3.29Å; K30-Y48 HydrophobicContact CG-CD1 3.96Å; K30-Y48 HydrophobicContact CG-CE1 4.08Å; K30-Y48 WeakPolarHBondContact O-CE1 3.37Å; K30-H136 WeakPolarHBondContact CB-O 3.25Å
31T98.6Very high97.6Very high0 Ų034.5 Ų34.50%020%0.198CC..PPolyproline II helixtrans-60.7130.6179.4-171.70000109.5P8 W11 L33 Y76 H133 C134 T135P8-T31 HydrophobicContact CG-CG2 4.42Å; W11-T31 WeakPolarHBondContact CZ2-O 3.24Å; W11-T31 PolarHBondContact NE1-O 2.86Å; T31-L33 HydrophobicContact CG2-CD2 4.14Å; T31-Y76 HydrophobicContact CG2-CD1 4.45Å; T31-Y76 HydrophobicContact CG2-CD2 3.71Å; T31-Y76 HydrophobicContact CG2-CE2 3.94Å; T31-Y76 HydrophobicContact CG2-CG 4Å; T31-Y76 WeakPolarHBondContact OG1-CD2 2.98Å; T31-H133 WeakPolarHBondContact CA-ND1 3.32Å; T31-H133 PolarHBondContact OG1-CE1 3.33Å; T31-C134 WeakPolarHBondContact CB-O 3.44Å; T31-C134 PolarHBondContact N-O 3.22Å; T31-T135 PolarHBondContact N-O 2.84Å
32P98.7Very high97.4Very high0 Ų039.2 Ų39.20%023%0.229CC..PPolyproline II helixtrans-65166.7163.130.4-33.6000109.1Y48 P50 L53 Y77P32-Y48 CarbonylContact C-O 3.55Å; P32-Y48 WeakPolarHBondContact CA-O 3.22Å; P32-Y48 HydrophobicContact CB-CD1 4.34Å; P32-Y48 HydrophobicContact CB-CE1 4.43Å; P32-Y48 WeakPolarHBondContact CB-O 3.46Å; P32-P50 HydrophobicContact CB-CG 4.11Å; P32-P50 HydrophobicContact CG-CG 4.14Å; P32-L53 HydrophobicContact CB-CD1 4.33Å; P32-L53 HydrophobicContact CG-CD1 3.86Å; P32-Y77 HydrophobicContact CG-CD1 3.78Å; P32-Y77 HydrophobicContact CG-CE1 3.58Å; P32-Y77 HydrophobicContact CG-CG 4.49Å; P32-Y77 VanDerWaalsContact O-CD1 3.29Å; P32-Y77 WeakPolarHBondContact O-CD1 3.41Å
33L98.4Very high97.4Very high0 Ų037 Ų370%022%0.215CC..  trans-128.5148.3-178.5-60.6178.8000109.4I7 P8 W11 T31 L37 Y48 T49 Y76I7-L33 HydrophobicContact CD1-CD1 3.57Å; P8-L33 HydrophobicContact CG-CD2 4.48Å; W11-L33 HydrophobicContact CD2-CD1 3.99Å; W11-L33 HydrophobicContact CE3-CD1 4.17Å; W11-L33 HydrophobicContact CH2-CD1 3.79Å; W11-L33 HydrophobicContact CH2-CG 4.32Å; W11-L33 HydrophobicContact CZ2-CD1 3.57Å; W11-L33 HydrophobicContact CZ2-CG 3.7Å; W11-L33 HydrophobicContact CZ3-CD1 4.09Å; T31-L33 HydrophobicContact CG2-CD2 4.14Å; L33-L37 HydrophobicContact CB-CB 3.94Å; L33-L37 HydrophobicContact CD1-CB 4.43Å; L33-L37 HydrophobicContact CD2-CD1 3.97Å; L33-Y48 PolarHBondContact N-O 2.95Å; L33-T49 WeakPolarHBondContact O-CA 3.35Å; L33-Y76 CarbonylContact C-O 3.45Å; L33-Y76 HydrophobicContact CD2-CD1 3.79Å; L33-Y76 HydrophobicContact CD2-CG 4.19Å
34S97.7Very high97.3Very high34 Ų3440.4 Ų40.424%0.23823%0.229CC..  trans-61.9157170.950.60000111R36 L37 C38 Y76S34-R36 PolarHBondContact O-N 3.45Å; S34-R36 VanDerWaalsContact O-N 3.15Å; S34-L37 WeakPolarHBondContact O-CA 3.3Å; S34-L37 PolarHBondContact O-N 2.96Å; S34-C38 PolarHBondContact O-N 2.86Å; S34-Y76 WeakPolarHBondContact CB-O 3.37Å; S34-Y76 PolarHBondContact N-O 3.23Å; S34-Y76 PolarHBondContact OG-O 3.02Å
35D96.9Very high97.1Very high114 Ų11446.4 Ų46.461%0.6126%0.261SS*.Hα-helixtrans-51.9-40.2175.2-58-52.2000111.9L37 C38 A39 T49D35-L37 VanDerWaalsContact C-N 3.33Å; D35-L37 PolarHBondContact O-N 3.46Å; D35-C38 PolarHBondContact O-N 3.37Å; D35-A39 WeakPolarHBondContact O-CB 3.48Å; D35-A39 PolarHBondContact O-N 3.3Å; D35-T49 WeakPolarHBondContact OD1-CG2 3.38Å
36R96.5Very high97Very high210 Ų21050.6 Ų50.679%0.79228%0.28SS*.Hα-helixtrans-57.5-43175.1178.5-178.3172.5177.70.9112.6S34S34-R36 PolarHBondContact O-N 3.45Å; S34-R36 VanDerWaalsContact O-N 3.15Å
37L96.9Very high96.9Very high9 Ų951.7 Ų51.75%0.04729%0.287CS..Hα-helixtrans-76.1-40.3178-73.9-178.8000110.6G5 I7 L33 S34 D35 A39 L40 Y76G5-L37 WeakPolarHBondContact O-CD2 3.19Å; I7-L37 HydrophobicContact CD1-CB 4.32Å; I7-L37 WeakPolarHBondContact CD1-O 3.42Å; L33-L37 HydrophobicContact CB-CB 3.94Å; L33-L37 HydrophobicContact CD1-CB 4.43Å; L33-L37 HydrophobicContact CD2-CD1 3.97Å; S34-L37 WeakPolarHBondContact O-CA 3.3Å; S34-L37 PolarHBondContact O-N 2.96Å; D35-L37 VanDerWaalsContact C-N 3.33Å; D35-L37 PolarHBondContact O-N 3.46Å; L37-A39 PolarHBondContact O-N 3.5Å; L37-L40 HydrophobicContact CD2-CD1 4.06Å; L37-L40 VanDerWaalsContact O-CB 3.32Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 3.43Å; L37-Y76 HydrophobicContact CD1-CD1 4.15Å; L37-Y76 WeakPolarHBondContact CD1-O 3.5Å
38C97.3Very high96.9Very high16 Ų1651.7 Ų51.711%0.10829%0.287CS..Hα-helixtrans-58.1-34.6174.8-76.70000112.6S34 D35 L40 L41S34-C38 PolarHBondContact O-N 2.86Å; D35-C38 PolarHBondContact O-N 3.37Å; C38-L40 PolarHBondContact O-N 3.33Å; C38-L40 VanDerWaalsContact O-N 3.14Å; C38-L41 HydrophobicContact CB-CD1 4.28Å; C38-L41 VanDerWaalsContact O-CB 3.24Å; C38-L41 WeakPolarHBondContact O-CB 3.37Å; C38-L41 WeakPolarHBondContact O-CG 3.21Å; C38-L41 PolarHBondContact O-N 3.03Å
39A96.1Very high96.9Very high83 Ų8352 Ų5269%0.68629%0.289SS*.THydrogen-bonded Turntrans-63.6-14.5173.900000114.3D35 L37D35-A39 WeakPolarHBondContact O-CB 3.48Å; D35-A39 PolarHBondContact O-N 3.3Å; L37-A39 PolarHBondContact O-N 3.5Å
40L95.7Very high96.9Very high109 Ų10952.2 Ų52.257%0.57129%0.29SS*.THydrogen-bonded Turntrans-88.9-3.9173.9-54.1178.4000112.9I7 L37 C38I7-L40 HydrophobicContact CD1-CB 4.41Å; I7-L40 HydrophobicContact CG1-CB 4.31Å; L37-L40 HydrophobicContact CD2-CD1 4.06Å; L37-L40 VanDerWaalsContact O-CB 3.32Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 3.43Å; C38-L40 PolarHBondContact O-N 3.33Å; C38-L40 VanDerWaalsContact O-N 3.14Å
41L96.1Very high96.9Very high18 Ų1856.1 Ų56.19%0.09431%0.309CS..SBendtrans-77.1150.8178.2-65.7167.9000110.8I7 W11 M12 C38 S43 F46I7-L41 HydrophobicContact CD1-CD2 3.67Å; I7-L41 HydrophobicContact CD1-CG 3.92Å; I7-L41 HydrophobicContact CG1-CD2 3.92Å; I7-L41 HydrophobicContact CG2-CD2 4.25Å; W11-L41 HydrophobicContact CE3-CD2 4.24Å; W11-L41 HydrophobicContact CH2-CD1 4.34Å; W11-L41 HydrophobicContact CZ3-CD1 4.03Å; W11-L41 HydrophobicContact CZ3-CD2 3.93Å; M12-L41 HydrophobicContact CG-CD2 4.05Å; M12-L41 HydrophobicContact SD-CD2 3.84Å; C38-L41 HydrophobicContact CB-CD1 4.28Å; C38-L41 VanDerWaalsContact O-CB 3.24Å; C38-L41 WeakPolarHBondContact O-CB 3.37Å; C38-L41 WeakPolarHBondContact O-CG 3.21Å; C38-L41 PolarHBondContact O-N 3.03Å; L41-S43 VanDerWaalsContact C-N 3.26Å; L41-S43 PolarHBondContact O-N 2.94Å; L41-F46 HydrophobicContact CB-CB 4.29Å; L41-F46 HydrophobicContact CD1-CB 3.98Å; L41-F46 WeakPolarHBondContact CD1-O 3.38Å; L41-F46 HydrophobicContact CD2-CB 4.39Å; L41-F46 HydrophobicContact CG-CB 4.47Å
42P95.4Very high96.8Very high101 Ų10158.1 Ų58.166%0.65632%0.318SS*.SBendtrans-70.1-18.9-17727.2-34.9000114.2M12 F46M12-P42 HydrophobicContact CE-CG 4.41Å; M12-P42 HydrophobicContact SD-CG 3.87Å; P42-F46 HydrophobicContact CG-CD2 3.89Å; P42-F46 HydrophobicContact CG-CE2 3.99Å
43S94.8Very high96.9Very high30 Ų3058.1 Ų58.121%0.2132%0.318CS..SBendtrans-148.2144.2175.3170.40000110.2L41 D45 F46L41-S43 VanDerWaalsContact C-N 3.26Å; L41-S43 PolarHBondContact O-N 2.94Å; S43-D45 PolarHBondContact O-N 3.24Å; S43-D45 VanDerWaalsContact O-N 3.17Å; S43-D45 PolarHBondContact OG-N 3.06Å; S43-D45 VanDerWaalsContact OG-N 3.16Å; S43-D45 PolarHBondContact OG-OD2 2.56Å; S43-D45 VanDerWaalsContact OG-OD2 3.05Å; S43-F46 PolarHBondContact O-N 3.37Å; S43-F46 VanDerWaalsContact O-N 3.09Å
44P93.7Very high96.9Very high114 Ų11459.5 Ų59.574%0.7433%0.326SS*.G310 helixtrans-53.5-27.2169.4-25.635000114F46 S47P44-F46 PolarHBondContact O-N 3.09Å; P44-F46 VanDerWaalsContact O-N 3.13Å; P44-S47 WeakPolarHBondContact O-CB 3.32Å; P44-S47 PolarHBondContact O-N 3.06Å
45D94.4Very high96.9Very high127 Ų12763.2 Ų63.268%0.67934%0.34SS*.G310 helixtrans-60.2-27.2178.2-60-39.4000112.6K16 S43 S47K16-D45 WeakPolarHBondContact CE-O 3.08Å; K16-D45 PolarHBondContact NZ-O 2.62Å; S43-D45 PolarHBondContact O-N 3.24Å; S43-D45 VanDerWaalsContact O-N 3.17Å; S43-D45 PolarHBondContact OG-N 3.06Å; S43-D45 VanDerWaalsContact OG-N 3.16Å; S43-D45 PolarHBondContact OG-OD2 2.56Å; S43-D45 VanDerWaalsContact OG-OD2 3.05Å; D45-S47 VanDerWaalsContact C-N 3.32Å
46F95.7Very high97Very high87 Ų8761.2 Ų61.238%0.38233%0.326SS..G310 helixtrans-81.8-10176.4-62.8-64.5000113.5W11 M12 L41 P42 S43 P44 Y48W11-F46 WeakPolarHBondContact CH2-O 3.15Å; M12-F46 HydrophobicContact SD-CG 4.42Å; L41-F46 HydrophobicContact CB-CB 4.29Å; L41-F46 HydrophobicContact CD1-CB 3.98Å; L41-F46 WeakPolarHBondContact CD1-O 3.38Å; L41-F46 HydrophobicContact CD2-CB 4.39Å; L41-F46 HydrophobicContact CG-CB 4.47Å; P42-F46 HydrophobicContact CG-CD2 3.89Å; P42-F46 HydrophobicContact CG-CE2 3.99Å; S43-F46 PolarHBondContact O-N 3.37Å; S43-F46 VanDerWaalsContact O-N 3.09Å; P44-F46 PolarHBondContact O-N 3.09Å; P44-F46 VanDerWaalsContact O-N 3.13Å; F46-Y48 PolarHBondContact O-N 2.97Å
47S97Very high97.1Very high23 Ų2351.2 Ų51.216%0.16129%0.288CS..  trans-51.4139179.4-175.80000111K16 P44 D45 E52K16-S47 WeakPolarHBondContact CE-O 3.49Å; K16-S47 PolarHBondContact NZ-O 3.31Å; P44-S47 WeakPolarHBondContact O-CB 3.32Å; P44-S47 PolarHBondContact O-N 3.06Å; D45-S47 VanDerWaalsContact C-N 3.32Å; S47-E52 WeakPolarHBondContact CB-OE2 3.34Å; S47-E52 PolarHBondContact OG-OE2 3.39Å
48Y98.6Very high97.1Very high0 Ų054.3 Ų54.30%031%0.31CS..  trans-15384.6173.5-172-133.2000109.8W11 K16 S29 K30 P32 L33 F46 E52 L53 K56W11-Y48 HydrophobicContact CZ2-CD1 4.13Å; W11-Y48 HydrophobicContact CZ2-CG 4.5Å; K16-Y48 HydrophobicContact CB-CD1 4.11Å; K16-Y48 HydrophobicContact CB-CD2 3.86Å; K16-Y48 HydrophobicContact CB-CE1 4.15Å; K16-Y48 HydrophobicContact CB-CE2 3.92Å; K16-Y48 HydrophobicContact CB-CG 3.96Å; K16-Y48 HydrophobicContact CD-CD2 3.79Å; K16-Y48 HydrophobicContact CD-CG 4.02Å; K16-Y48 HydrophobicContact CG-CD1 4.34Å; K16-Y48 HydrophobicContact CG-CD2 4.01Å; K16-Y48 HydrophobicContact CG-CG 3.89Å; K16-Y48 WeakPolarHBondContact O-CE1 3.32Å; S29-Y48 WeakPolarHBondContact OG-CE1 3.38Å; S29-Y48 PolarHBondContact OG-OH 3.25Å; K30-Y48 HydrophobicContact CG-CD1 3.96Å; K30-Y48 HydrophobicContact CG-CE1 4.08Å; K30-Y48 WeakPolarHBondContact O-CE1 3.37Å; P32-Y48 CarbonylContact C-O 3.55Å; P32-Y48 WeakPolarHBondContact CA-O 3.22Å; P32-Y48 HydrophobicContact CB-CD1 4.34Å; P32-Y48 HydrophobicContact CB-CE1 4.43Å; P32-Y48 WeakPolarHBondContact CB-O 3.46Å; L33-Y48 PolarHBondContact N-O 2.95Å; F46-Y48 PolarHBondContact O-N 2.97Å; Y48-E52 WeakPolarHBondContact CA-OE2 3.33Å; Y48-E52 HydrophobicContact CD2-CB 4.07Å; Y48-E52 PolarHBondContact N-OE2 2.78Å; Y48-L53 HydrophobicContact CE1-CD1 4.4Å; Y48-L53 HydrophobicContact CE2-CB 3.82Å; Y48-L53 WeakPolarHBondContact OH-CB 3.31Å; Y48-L53 WeakPolarHBondContact OH-CD1 3.41Å; Y48-L53 VanDerWaalsContact OH-CG 3.23Å; Y48-L53 WeakPolarHBondContact OH-CG 3.4Å; Y48-K56 HydrophobicContact CD2-CD 4.46Å; Y48-K56 HydrophobicContact CE2-CD 4.1Å
49T98.5Very high97.2Very high11 Ų1159.2 Ų59.27%0.06734%0.336CS..  trans-84166.7178.567.90000112.3L33 D35 Q51 E52 L53L33-T49 WeakPolarHBondContact O-CA 3.35Å; D35-T49 WeakPolarHBondContact OD1-CG2 3.38Å; T49-Q51 PolarHBondContact O-N 3.02Å; T49-E52 PolarHBondContact N-OE2 3.38Å; T49-E52 PolarHBondContact O-N 3.33Å; T49-E52 WeakPolarHBondContact OG1-CG 3.33Å; T49-E52 PolarHBondContact OG1-N 3.2Å; T49-E52 VanDerWaalsContact OG1-N 3.15Å; T49-L53 PolarHBondContact O-N 2.69Å
50P98.7Very high97.3Very high5 Ų559.1 Ų59.13%0.03232%0.32CS..Hα-helixtrans-55.8-34.8171.1-29.539000113.3P32 L53 V54 Y77 V81 F82P32-P50 HydrophobicContact CB-CG 4.11Å; P32-P50 HydrophobicContact CG-CG 4.14Å; P50-L53 WeakPolarHBondContact O-CB 3.43Å; P50-L53 PolarHBondContact O-N 3.34Å; P50-V54 WeakPolarHBondContact O-CG2 3.46Å; P50-V54 PolarHBondContact O-N 2.94Å; P50-V54 VanDerWaalsContact O-N 3.15Å; P50-Y77 HydrophobicContact CG-CD2 3.99Å; P50-Y77 HydrophobicContact CG-CG 3.85Å; P50-V81 HydrophobicContact CB-CB 4.41Å; P50-V81 HydrophobicContact CB-CG1 3.41Å; P50-V81 VanDerWaalsContact CB-CG1 3.41Å; P50-V81 HydrophobicContact CB-CG2 4.15Å; P50-V81 HydrophobicContact CG-CG1 3.79Å; P50-F82 HydrophobicContact CB-CE1 3.93Å; P50-F82 HydrophobicContact CB-CE2 4.42Å; P50-F82 HydrophobicContact CB-CZ 3.77Å
51Q98.3Very high97.3Very high88 Ų8856.2 Ų56.241%0.41132%0.316SS..Hα-helixtrans-67.4-47.5174.8-65.684.2-17.100110.9T49 L53 V54 E55 V81T49-Q51 PolarHBondContact O-N 3.02Å; Q51-L53 PolarHBondContact O-N 3.41Å; Q51-V54 PolarHBondContact O-N 3.48Å; Q51-V54 VanDerWaalsContact O-N 3.14Å; Q51-E55 WeakPolarHBondContact O-CB 3.41Å; Q51-E55 PolarHBondContact O-N 3.08Å; Q51-V81 HydrophobicContact CG-CG2 4.45Å
52E98.3Very high97.4Very high42 Ų4256.8 Ų56.820%0.19632%0.318CS..Hα-helixtrans-62-30.5175.3-71.2-179.597.800112.1S47 Y48 T49 K56S47-E52 WeakPolarHBondContact CB-OE2 3.34Å; S47-E52 PolarHBondContact OG-OE2 3.39Å; Y48-E52 WeakPolarHBondContact CA-OE2 3.33Å; Y48-E52 HydrophobicContact CD2-CB 4.07Å; Y48-E52 PolarHBondContact N-OE2 2.78Å; T49-E52 PolarHBondContact N-OE2 3.38Å; T49-E52 PolarHBondContact O-N 3.33Å; T49-E52 WeakPolarHBondContact OG1-CG 3.33Å; T49-E52 PolarHBondContact OG1-N 3.2Å; T49-E52 VanDerWaalsContact OG1-N 3.15Å; E52-K56 VanDerWaalsContact O-CB 3.23Å; E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 WeakPolarHBondContact O-CG 3.32Å; E52-K56 PolarHBondContact O-N 2.98Å
53L98.8Very high97.6Very high0 Ų055 Ų550%031%0.306CS..Hα-helixtrans-62.2-51.3172.2178154.4000111.2P32 Y48 T49 P50 Q51 K56 I57 F82 C131P32-L53 HydrophobicContact CB-CD1 4.33Å; P32-L53 HydrophobicContact CG-CD1 3.86Å; Y48-L53 HydrophobicContact CE1-CD1 4.4Å; Y48-L53 HydrophobicContact CE2-CB 3.82Å; Y48-L53 WeakPolarHBondContact OH-CB 3.31Å; Y48-L53 WeakPolarHBondContact OH-CD1 3.41Å; Y48-L53 VanDerWaalsContact OH-CG 3.23Å; Y48-L53 WeakPolarHBondContact OH-CG 3.4Å; T49-L53 PolarHBondContact O-N 2.69Å; P50-L53 WeakPolarHBondContact O-CB 3.43Å; P50-L53 PolarHBondContact O-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.41Å; L53-K56 PolarHBondContact O-N 2.75Å; L53-I57 HydrophobicContact CD2-CD1 3.81Å; L53-I57 HydrophobicContact CG-CD1 4.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.43Å; L53-I57 PolarHBondContact O-N 3.35Å; L53-I57 VanDerWaalsContact O-N 3.16Å; L53-F82 HydrophobicContact CD2-CE1 4.37Å; L53-C131 HydrophobicContact CD2-CB 4.38Å
54V98.7Very high97.7Very high28 Ų2854 Ų5417%0.1730%0.298CS..Hα-helixtrans-66.1-44.2-179.1175.90000110.7P50 Q51 K56 I57 S58 F82 M85 I87P50-V54 WeakPolarHBondContact O-CG2 3.46Å; P50-V54 PolarHBondContact O-N 2.94Å; P50-V54 VanDerWaalsContact O-N 3.15Å; Q51-V54 PolarHBondContact O-N 3.48Å; Q51-V54 VanDerWaalsContact O-N 3.14Å; V54-K56 PolarHBondContact O-N 3.43Å; V54-I57 PolarHBondContact O-N 3.5Å; V54-S58 WeakPolarHBondContact O-CB 3.39Å; V54-S58 PolarHBondContact O-N 2.91Å; V54-F82 HydrophobicContact CG2-CD1 4.4Å; V54-F82 HydrophobicContact CG2-CE1 4.16Å; V54-M85 HydrophobicContact CB-CE 4.46Å; V54-M85 HydrophobicContact CB-SD 4.15Å; V54-M85 HydrophobicContact CG1-SD 4.31Å; V54-M85 HydrophobicContact CG2-CE 3.65Å; V54-M85 HydrophobicContact CG2-SD 3.93Å; V54-I87 HydrophobicContact CB-CD1 4.42Å; V54-I87 HydrophobicContact CG1-CD1 4.04Å; V54-I87 HydrophobicContact CG2-CD1 3.43Å; V54-I87 VanDerWaalsContact CG2-CD1 3.43Å
55E98.5Very high98Very high113 Ų11352.4 Ų52.453%0.52828%0.277SS..Hα-helixtrans-60.1-46.2177.5-171-168.6164.900111.7Q51 I57 S58 N59Q51-E55 WeakPolarHBondContact O-CB 3.41Å; Q51-E55 PolarHBondContact O-N 3.08Å; E55-I57 VanDerWaalsContact C-N 3.29Å; E55-I57 PolarHBondContact O-N 3.03Å; E55-S58 WeakPolarHBondContact O-CB 3.31Å; E55-S58 PolarHBondContact O-N 2.99Å; E55-N59 WeakPolarHBondContact O-CB 3.34Å; E55-N59 PolarHBondContact O-N 3.14Å; E55-N59 PolarHBondContact O-ND2 3.31Å
56K98.6Very high98.2Very high72 Ų7246.4 Ų46.431%0.31325%0.245SC..Hα-helixtrans-64.4-33.1178.6-76179-169.8-54.80113K16 L17 Y48 E52 L53 V54 K60K16-K56 HydrophobicContact CD-CD 4.32Å; L17-K56 HydrophobicContact CD2-CB 3.94Å; Y48-K56 HydrophobicContact CD2-CD 4.46Å; Y48-K56 HydrophobicContact CE2-CD 4.1Å; E52-K56 VanDerWaalsContact O-CB 3.23Å; E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 WeakPolarHBondContact O-CG 3.32Å; E52-K56 PolarHBondContact O-N 2.98Å; L53-K56 PolarHBondContact O-N 2.75Å; V54-K56 PolarHBondContact O-N 3.43Å; K56-K60 WeakPolarHBondContact O-CG 3.23Å; K56-K60 PolarHBondContact O-N 3.01Å
57I98.6Very high98.3Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-71.4-43.1174-68.4172.1000110.3L17 I27 L53 V54 E55 N59 K60 H62 V64 V129 C131L17-I57 HydrophobicContact CD1-CD1 4.05Å; L17-I57 HydrophobicContact CD1-CG1 3.95Å; L17-I57 HydrophobicContact CD2-CD1 4.49Å; L17-I57 HydrophobicContact CD2-CG1 3.51Å; L17-I57 HydrophobicContact CG-CG1 4.34Å; I27-I57 HydrophobicContact CD1-CB 4.49Å; I27-I57 HydrophobicContact CD1-CD1 4.39Å; I27-I57 HydrophobicContact CD1-CG1 4.08Å; I27-I57 HydrophobicContact CD1-CG2 3.73Å; L53-I57 HydrophobicContact CD2-CD1 3.81Å; L53-I57 HydrophobicContact CG-CD1 4.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.43Å; L53-I57 PolarHBondContact O-N 3.35Å; L53-I57 VanDerWaalsContact O-N 3.16Å; V54-I57 PolarHBondContact O-N 3.5Å; E55-I57 VanDerWaalsContact C-N 3.29Å; E55-I57 PolarHBondContact O-N 3.03Å; I57-N59 VanDerWaalsContact C-N 3.32Å; I57-N59 PolarHBondContact O-N 3.35Å; I57-K60 WeakPolarHBondContact O-CB 3.33Å; I57-K60 PolarHBondContact O-N 3.39Å; I57-H62 HydrophobicContact CG2-CB 3.66Å; I57-H62 PolarHBondContact O-N 3.3Å; I57-V64 HydrophobicContact CB-CG2 3.68Å; I57-V64 HydrophobicContact CD1-CG2 3.45Å; I57-V64 VanDerWaalsContact CD1-CG2 3.45Å; I57-V64 HydrophobicContact CG1-CG2 4.13Å; I57-V64 HydrophobicContact CG2-CG2 3.48Å; I57-V64 VanDerWaalsContact CG2-CG2 3.48Å; I57-V129 HydrophobicContact CG2-CG2 3.65Å; I57-C131 HydrophobicContact CD1-CB 3.88Å
58S98.2Very high98.4Very high73 Ų7341.2 Ų41.251%0.5122%0.22SC..Hα-helixtrans-59.6-41175.3-169.30000112.4V54 E55 K60 G61 H62V54-S58 WeakPolarHBondContact O-CB 3.39Å; V54-S58 PolarHBondContact O-N 2.91Å; E55-S58 WeakPolarHBondContact O-CB 3.31Å; E55-S58 PolarHBondContact O-N 2.99Å; S58-K60 PolarHBondContact O-N 3.28Å; S58-G61 PolarHBondContact O-N 2.81Å; S58-H62 VanDerWaalsContact CA-O 3.32Å; S58-H62 WeakPolarHBondContact CA-O 3.21Å
59N98.3Very high98.4Very high120 Ų12041.4 Ų41.464%0.64222%0.221SC*.THydrogen-bonded Turntrans-66.6-16.7177.5-70-16.4000113.1E55 I57 G61E55-N59 WeakPolarHBondContact O-CB 3.34Å; E55-N59 PolarHBondContact O-N 3.14Å; E55-N59 PolarHBondContact O-ND2 3.31Å; I57-N59 VanDerWaalsContact C-N 3.32Å; I57-N59 PolarHBondContact O-N 3.35Å; N59-G61 VanDerWaalsContact C-N 3.34Å
60K97.5Very high98.4Very high81 Ų8140.9 Ų40.935%0.35222%0.218SC..THydrogen-bonded Turntrans-90.34.9170.8-67.2-174.2177.5-163.90113.2L17 G18 D19 K56 I57 S58L17-K60 HydrophobicContact CD2-CD 4.44Å; G18-K60 PolarHBondContact O-NZ 3.31Å; D19-K60 WeakPolarHBondContact OD1-CE 3.26Å; D19-K60 IonicContact OD1-NZ 3.41Å; D19-K60 PolarHBondContact OD1-NZ 3.06Å; K56-K60 WeakPolarHBondContact O-CG 3.23Å; K56-K60 PolarHBondContact O-N 3.01Å; I57-K60 WeakPolarHBondContact O-CB 3.33Å; I57-K60 PolarHBondContact O-N 3.39Å; S58-K60 PolarHBondContact O-N 3.28Å
61G97.5Very high98.4Very high48 Ų4840.8 Ų40.850%0.49522%0.217SC..THydrogen-bonded Turntrans90.33.9178.500000115.1S58 N59S58-G61 PolarHBondContact O-N 2.81Å; N59-G61 VanDerWaalsContact C-N 3.34Å
62H98Very high98.3Very high29 Ų2939.6 Ų39.613%0.13422%0.222CC..  trans-106.4150.1-173.7-56.2-45.2000112.8I27 I57 S58 E127 V129I27-H62 HydrophobicContact CD1-CB 4.42Å; I57-H62 HydrophobicContact CG2-CB 3.66Å; I57-H62 PolarHBondContact O-N 3.3Å; S58-H62 VanDerWaalsContact CA-O 3.32Å; S58-H62 WeakPolarHBondContact CA-O 3.21Å; H62-E127 CarbonylContact C-O 3.52Å; H62-E127 WeakPolarHBondContact CA-O 3.47Å; H62-E127 IonicContact CE1-OE2 2.7Å; H62-E127 PolarHBondContact CE1-OE2 2.6Å; H62-E127 IonicContact CG-OE2 3.9Å; H62-E127 IonicContact ND1-OE2 3.23Å; H62-E127 PolarHBondContact ND1-OE2 3.41Å; H62-V129 HydrophobicContact CB-CG1 3.83Å; H62-V129 HydrophobicContact CB-CG2 3.91Å
63T98Very high98.1Very high64 Ų6439.4 Ų39.439%0.39322%0.224SC..EExtended strand (participates in β ladder)trans-104.3115174.2-59.40000110.3R65 E127 S128 V129T63-R65 PolarHBondContact O-N 2.9Å; T63-E127 PolarHBondContact N-O 3.02Å; T63-S128 CarbonylContact O-C 3.54Å; T63-S128 VanDerWaalsContact O-CA 3.28Å; T63-S128 WeakPolarHBondContact O-CA 3.31Å; T63-V129 PolarHBondContact O-N 2.82Å
64V98.5Very high98Very high9 Ų944.6 Ų44.66%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-67.9124.3173.3-171.50000109I57 V67 I87 V129 C131I57-V64 HydrophobicContact CB-CG2 3.68Å; I57-V64 HydrophobicContact CD1-CG2 3.45Å; I57-V64 VanDerWaalsContact CD1-CG2 3.45Å; I57-V64 HydrophobicContact CG1-CG2 4.13Å; I57-V64 HydrophobicContact CG2-CG2 3.48Å; I57-V64 VanDerWaalsContact CG2-CG2 3.48Å; V64-V67 HydrophobicContact CG1-CG2 3.9Å; V64-I87 HydrophobicContact CB-CD1 3.91Å; V64-I87 HydrophobicContact CB-CG1 4.39Å; V64-I87 HydrophobicContact CG1-CD1 4.02Å; V64-I87 HydrophobicContact CG1-CG1 4.37Å; V64-I87 HydrophobicContact CG1-CG2 3.87Å; V64-I87 WeakPolarHBondContact O-CG1 3.33Å; V64-V129 HydrophobicContact CG2-CG2 4.29Å; V64-C131 HydrophobicContact CG1-CB 4.39Å
65R98.4Very high97.9Very high80 Ų8047 Ų4730%0.30226%0.258SS..EExtended strand (participates in β ladder)trans-112.3-22.6170.9-54.9-63.4-165.4169.90113T63 E88 F116 W120 V129T63-R65 PolarHBondContact O-N 2.9Å; R65-E88 PolarHBondContact O-N 3Å; R65-F116 HydrophobicContact CB-CD2 4.43Å; R65-F116 HydrophobicContact CB-CE2 3.66Å; R65-F116 HydrophobicContact CB-CZ 4.33Å; R65-F116 HydrophobicContact CG-CE2 4.42Å; R65-W120 HydrophobicContact CB-CD2 4.49Å; R65-W120 HydrophobicContact CB-CZ2 3.93Å; R65-W120 VanDerWaalsContact CD-CZ2 3.46Å; R65-W120 HydrophobicContact CG-CD2 4.06Å; R65-W120 HydrophobicContact CG-CE3 4.45Å; R65-W120 HydrophobicContact CG-CH2 4.24Å; R65-W120 HydrophobicContact CG-CZ2 3.79Å; R65-V129 PolarHBondContact N-O 2.93Å
66M98.8Very high97.8Very high2 Ų242.4 Ų42.41%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-142.5140.7179-177.9-175.2-76.300111.1I68 E88 V90 K112 F116 I130 C131M66-I68 HydrophobicContact CG-CG1 4.09Å; M66-I68 HydrophobicContact SD-CD1 3.94Å; M66-I68 HydrophobicContact SD-CG1 3.87Å; M66-E88 CarbonylContact C-O 3.57Å; M66-E88 VanDerWaalsContact CA-O 3.26Å; M66-E88 WeakPolarHBondContact CA-O 3.3Å; M66-E88 WeakPolarHBondContact CE-OE2 3.48Å; M66-E88 HydrophobicContact CG-CB 4.46Å; M66-V90 HydrophobicContact CE-CG2 4.33Å; M66-V90 HydrophobicContact CG-CG2 4.11Å; M66-V90 HydrophobicContact SD-CG2 4.15Å; M66-K112 HydrophobicContact SD-CB 4.38Å; M66-F116 HydrophobicContact CB-CD2 3.82Å; M66-F116 HydrophobicContact CB-CE2 4.08Å; M66-F116 HydrophobicContact CE-CB 3.9Å; M66-F116 HydrophobicContact CE-CD2 4.21Å; M66-F116 HydrophobicContact SD-CB 4.47Å; M66-F116 HydrophobicContact SD-CD2 4.43Å; M66-I130 HydrophobicContact CB-CG1 4.3Å; M66-I130 HydrophobicContact CB-CG2 4.32Å; M66-I130 HydrophobicContact CG-CG2 4.27Å; M66-I130 WeakPolarHBondContact O-CA 2.88Å; M66-I130 HydrophobicContact SD-CD1 4.45Å; M66-I130 HydrophobicContact SD-CG1 4.44Å; M66-I130 HydrophobicContact SD-CG2 4.15Å; M66-C131 PolarHBondContact O-N 3.46Å
67V98.9Very high97.8Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-117.6122.9168.4173.50000108.6V64 F82 I87 E88 Y89 V90 C131V64-V67 HydrophobicContact CG1-CG2 3.9Å; V67-F82 HydrophobicContact CB-CD2 4.4Å; V67-F82 HydrophobicContact CB-CE2 4.23Å; V67-F82 HydrophobicContact CB-CZ 4.31Å; V67-F82 HydrophobicContact CG1-CD2 4.44Å; V67-F82 HydrophobicContact CG1-CE2 3.85Å; V67-F82 HydrophobicContact CG1-CZ 3.96Å; V67-F82 HydrophobicContact CG2-CD1 3.91Å; V67-F82 HydrophobicContact CG2-CE1 3.72Å; V67-F82 HydrophobicContact CG2-CE2 4.29Å; V67-F82 HydrophobicContact CG2-CG 4.33Å; V67-F82 HydrophobicContact CG2-CZ 3.91Å; V67-I87 HydrophobicContact CB-CG2 4.46Å; V67-I87 HydrophobicContact CG2-CG2 3.82Å; V67-E88 PolarHBondContact N-O 2.99Å; V67-Y89 HydrophobicContact CG1-CD2 4.36Å; V67-V90 PolarHBondContact O-N 3.28Å; V67-C131 CarbonylContact C-O 3.48Å; V67-C131 WeakPolarHBondContact CA-O 3.3Å; V67-C131 HydrophobicContact CG2-CB 4.15Å
68I98.9Very high97.7Very high0 Ų044.5 Ų44.50%025%0.249CC..EExtended strand (participates in β ladder)trans-105.3113.2173.4-56.3179.7000109M66 L70 V90 I92 F109 V113 I130 C131 V132 H133M66-I68 HydrophobicContact CG-CG1 4.09Å; M66-I68 HydrophobicContact SD-CD1 3.94Å; M66-I68 HydrophobicContact SD-CG1 3.87Å; I68-L70 HydrophobicContact CG2-CD2 3.88Å; I68-L70 HydrophobicContact CG2-CG 4.36Å; I68-V90 CarbonylContact C-O 3.3Å; I68-V90 WeakPolarHBondContact CA-O 3.37Å; I68-V90 HydrophobicContact CG1-CB 4.21Å; I68-I92 HydrophobicContact CG2-CD1 4.02Å; I68-I92 HydrophobicContact CG2-CG1 4.42Å; I68-F109 HydrophobicContact CD1-CD2 3.91Å; I68-F109 HydrophobicContact CD1-CE2 3.63Å; I68-F109 HydrophobicContact CD1-CZ 4.33Å; I68-F109 HydrophobicContact CG2-CD2 4.04Å; I68-F109 HydrophobicContact CG2-CE2 4.12Å; I68-V113 HydrophobicContact CD1-CG2 4.47Å; I68-I130 HydrophobicContact CD1-CG2 3.7Å; I68-I130 HydrophobicContact CG1-CG2 3.86Å; I68-C131 PolarHBondContact N-O 2.97Å; I68-V132 HydrophobicContact CB-CG1 4.48Å; I68-V132 HydrophobicContact CB-CG2 4.38Å; I68-V132 HydrophobicContact CD1-CG2 4.44Å; I68-H133 PolarHBondContact O-N 2.99Å
69D98.8Very high97.7Very high4 Ų442.9 Ų42.92%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-96.5110.1177.3178.32.4000110.9T71 Y89 V90 K91 I92 H133D69-T71 VanDerWaalsContact OD1-CB 3.25Å; D69-T71 WeakPolarHBondContact OD1-CB 3.41Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.39Å; D69-T71 PolarHBondContact OD1-N 3.23Å; D69-T71 PolarHBondContact OD1-OG1 2.95Å; D69-T71 PolarHBondContact OD2-OG1 3.18Å; D69-Y89 HydrophobicContact CB-CE2 3.6Å; D69-Y89 WeakPolarHBondContact CB-OH 3.5Å; D69-Y89 PolarHBondContact OD2-OH 3Å; D69-V90 PolarHBondContact N-O 3.35Å; D69-K91 HydrophobicContact CB-CD 4.07Å; D69-K91 WeakPolarHBondContact O-CD 3.44Å; D69-K91 IonicContact OD1-NZ 3.69Å; D69-K91 PolarHBondContact OD1-NZ 3.44Å; D69-K91 IonicContact OD2-NZ 2.78Å; D69-K91 PolarHBondContact OD2-NZ 2.78Å; D69-I92 PolarHBondContact O-N 2.85Å; D69-H133 VanDerWaalsContact CB-NE2 3.29Å; D69-H133 WeakPolarHBondContact CB-NE2 3.24Å; D69-H133 IonicContact OD1-CE1 3.67Å; D69-H133 PolarHBondContact OD1-CE1 2.98Å; D69-H133 IonicContact OD1-ND1 2.65Å; D69-H133 IonicContact OD1-NE2 3.81Å; D69-H133 IonicContact OD2-CE1 3.06Å
70L98.6Very high97.7Very high1 Ų142.7 Ų42.71%0.00523%0.232CC..  trans-92.32179.8-56.9173.6000113.4I68 I92 T94 F109 V132 H133 C134 R140 A141 F144I68-L70 HydrophobicContact CG2-CD2 3.88Å; I68-L70 HydrophobicContact CG2-CG 4.36Å; L70-I92 CarbonylContact C-O 3.6Å; L70-I92 VanDerWaalsContact CA-O 3.3Å; L70-I92 WeakPolarHBondContact CA-O 3.44Å; L70-I92 HydrophobicContact CD2-CB 4Å; L70-I92 HydrophobicContact CD2-CG2 4.33Å; L70-T94 VanDerWaalsContact O-CB 3.26Å; L70-T94 WeakPolarHBondContact O-CB 3.44Å; L70-T94 PolarHBondContact O-N 2.82Å; L70-F109 HydrophobicContact CD2-CD2 4.45Å; L70-V132 HydrophobicContact CD1-CG1 3.63Å; L70-V132 HydrophobicContact CG-CG1 4.18Å; L70-H133 VanDerWaalsContact CB-O 3.3Å; L70-H133 WeakPolarHBondContact CB-O 3.5Å; L70-H133 PolarHBondContact N-O 3.06Å; L70-C134 HydrophobicContact CB-CB 4.07Å; L70-R140 HydrophobicContact CD1-CB 4.36Å; L70-A141 HydrophobicContact CD1-CB 4.37Å; L70-F144 HydrophobicContact CD1-CB 4.3Å; L70-F144 HydrophobicContact CD1-CD2 3.64Å; L70-F144 HydrophobicContact CD1-CE2 4.29Å; L70-F144 HydrophobicContact CD1-CG 4.22Å; L70-F144 HydrophobicContact CD2-CD2 3.9Å; L70-F144 HydrophobicContact CD2-CE2 3.97Å; L70-F144 HydrophobicContact CD2-CG 4.27Å; L70-F144 HydrophobicContact CD2-CZ 4.4Å; L70-F144 HydrophobicContact CG-CD2 4.38Å
71T97.6Very high97.7Very high2 Ų239.9 Ų39.91%0.01222%0.222CC..  trans-71.1141.1-175.265.10000111.5D69 T73 Y76 K91D69-T71 VanDerWaalsContact OD1-CB 3.25Å; D69-T71 WeakPolarHBondContact OD1-CB 3.41Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.39Å; D69-T71 PolarHBondContact OD1-N 3.23Å; D69-T71 PolarHBondContact OD1-OG1 2.95Å; D69-T71 PolarHBondContact OD2-OG1 3.18Å; T71-T73 PolarHBondContact O-N 3.41Å; T71-T73 PolarHBondContact OG1-O 3.22Å; T71-T73 VanDerWaalsContact OG1-O 3.12Å; T71-Y76 HydrophobicContact CG2-CD2 3.96Å; T71-Y76 HydrophobicContact CG2-CE2 3.78Å; T71-K91 VanDerWaalsContact O-CE 3.25Å; T71-K91 WeakPolarHBondContact O-CE 3.38Å; T71-K91 PolarHBondContact O-NZ 3.17Å; T71-K91 PolarHBondContact OG1-NZ 2.73Å
72A96.1Very high97.8Very high64 Ų6437.6 Ų37.653%0.52920%0.198SC..SBendtrans-80.436.8175.100000113
73T95.4Very high97.7Very high37 Ų3739 Ų3923%0.22721%0.212CC..  trans-160.9153.3-179.2-173.30000111T71 R75 Y76 K91T71-T73 PolarHBondContact O-N 3.41Å; T71-T73 PolarHBondContact OG1-O 3.22Å; T71-T73 VanDerWaalsContact OG1-O 3.12Å; T73-R75 HydrophobicContact CG2-CG 3.82Å; T73-R75 WeakPolarHBondContact OG1-CB 2.9Å; T73-R75 WeakPolarHBondContact OG1-CD 3.5Å; T73-R75 VanDerWaalsContact OG1-CG 3.24Å; T73-R75 WeakPolarHBondContact OG1-CG 3.31Å; T73-R75 PolarHBondContact OG1-N 3.21Å; T73-Y76 HydrophobicContact CG2-CD2 3.74Å; T73-Y76 HydrophobicContact CG2-CE1 4.36Å; T73-Y76 HydrophobicContact CG2-CE2 3.3Å; T73-Y76 HydrophobicContact CG2-CG 4.42Å; T73-K91 PolarHBondContact O-NZ 2.86Å
74N96.3Very high97.7Very high109 Ų10941.2 Ų41.258%0.58323%0.225SC*.SBendtrans-103.912.9174.3-62.1-24.8000112.3K91 M93N74-K91 WeakPolarHBondContact OD1-CE 3.44Å; N74-M93 WeakPolarHBondContact OD1-CE 3.19Å
75R95.7Very high97.6Very high80 Ų8043.4 Ų43.430%0.30224%0.235SC..  trans-85.9-11.2-167.776.8-169.6-175.283.7-7.2115.2G6 T73G6-R75 PolarHBondContact O-NH1 3.04Å; G6-R75 PolarHBondContact O-NH2 3.1Å; T73-R75 HydrophobicContact CG2-CG 3.82Å; T73-R75 WeakPolarHBondContact OG1-CB 2.9Å; T73-R75 WeakPolarHBondContact OG1-CD 3.5Å; T73-R75 VanDerWaalsContact OG1-CG 3.24Å; T73-R75 WeakPolarHBondContact OG1-CG 3.31Å; T73-R75 PolarHBondContact OG1-N 3.21Å
76Y97.3Very high97.6Very high16 Ų1646.4 Ų46.46%0.06326%0.257CS..SBendtrans-80-44.1-167.5-66.5-44.3000112.4P8 T31 L33 S34 L37 T71 T73P8-Y76 HydrophobicContact CB-CE1 4.11Å; P8-Y76 HydrophobicContact CG-CD1 4.28Å; P8-Y76 HydrophobicContact CG-CE1 3.49Å; P8-Y76 VanDerWaalsContact CG-CE1 3.49Å; T31-Y76 HydrophobicContact CG2-CD1 4.45Å; T31-Y76 HydrophobicContact CG2-CD2 3.71Å; T31-Y76 HydrophobicContact CG2-CE2 3.94Å; T31-Y76 HydrophobicContact CG2-CG 4Å; T31-Y76 WeakPolarHBondContact OG1-CD2 2.98Å; L33-Y76 CarbonylContact C-O 3.45Å; L33-Y76 HydrophobicContact CD2-CD1 3.79Å; L33-Y76 HydrophobicContact CD2-CG 4.19Å; S34-Y76 WeakPolarHBondContact CB-O 3.37Å; S34-Y76 PolarHBondContact N-O 3.23Å; S34-Y76 PolarHBondContact OG-O 3.02Å; L37-Y76 HydrophobicContact CD1-CD1 4.15Å; L37-Y76 WeakPolarHBondContact CD1-O 3.5Å; T71-Y76 HydrophobicContact CG2-CD2 3.96Å; T71-Y76 HydrophobicContact CG2-CE2 3.78Å; T73-Y76 HydrophobicContact CG2-CD2 3.74Å; T73-Y76 HydrophobicContact CG2-CE1 4.36Å; T73-Y76 HydrophobicContact CG2-CE2 3.3Å; T73-Y76 HydrophobicContact CG2-CG 4.42Å
77Y98.1Very high97.6Very high14 Ų1446.9 Ų46.96%0.05526%0.26CS..  trans-157.7164.9179.459-92.6000109.8P32 P50 F82 Y89 H133P32-Y77 HydrophobicContact CG-CD1 3.78Å; P32-Y77 HydrophobicContact CG-CE1 3.58Å; P32-Y77 HydrophobicContact CG-CG 4.49Å; P32-Y77 VanDerWaalsContact O-CD1 3.29Å; P32-Y77 WeakPolarHBondContact O-CD1 3.41Å; P50-Y77 HydrophobicContact CG-CD2 3.99Å; P50-Y77 HydrophobicContact CG-CG 3.85Å; Y77-F82 HydrophobicContact CD2-CE2 4.22Å; Y77-F82 HydrophobicContact CE2-CD2 4.16Å; Y77-F82 AromaticContact CE2-CE2 3.45Å; Y77-F82 HydrophobicContact CE2-CE2 3.45Å; Y77-F82 VanDerWaalsContact CE2-CE2 3.45Å; Y77-F82 HydrophobicContact CE2-CZ 4.35Å; Y77-F82 AromaticContact CZ-CE2 3.85Å; Y77-Y89 HydrophobicContact CE2-CE2 4.03Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.33Å; Y77-H133 AromaticContact CE1-CE1 3.81Å; Y77-H133 AromaticContact CE1-NE2 3.85Å; Y77-H133 AromaticContact CZ-NE2 3.65Å; Y77-H133 PolarHBondContact OH-CE1 2.93Å; Y77-H133 PolarHBondContact OH-NE2 2.77Å
78D97.7Very high97.5Very high102 Ų10250.3 Ų50.355%0.54528%0.276SS..  trans-81.8118.6171.9-178.5-5000109.8Q80 V81D78-Q80 PolarHBondContact O-N 3.28Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.4Å; D78-Q80 WeakPolarHBondContact OD1-CG 3.3Å; D78-Q80 PolarHBondContact OD1-N 2.81Å; D78-V81 WeakPolarHBondContact O-CG1 3.39Å; D78-V81 PolarHBondContact O-N 3.05Å
79P97.7Very high97.5Very high38 Ų3853 Ų5325%0.24729%0.286CS..THydrogen-bonded Turntrans-63.9-18.4179.427.4-36.3000114.5V81 F82 Y89P79-V81 PolarHBondContact O-N 3.24Å; P79-V81 VanDerWaalsContact O-N 3.13Å; P79-F82 PolarHBondContact O-N 3.42Å; P79-F82 VanDerWaalsContact O-N 3.08Å; P79-Y89 HydrophobicContact CB-CD1 3.38Å; P79-Y89 HydrophobicContact CB-CD2 3.87Å; P79-Y89 HydrophobicContact CB-CE1 3.33Å; P79-Y89 HydrophobicContact CB-CE2 3.83Å; P79-Y89 HydrophobicContact CB-CG 3.63Å; P79-Y89 HydrophobicContact CG-CD1 4.29Å; P79-Y89 HydrophobicContact CG-CE1 3.98Å
80Q97.8Very high97.5Very high116 Ų11653.3 Ų53.354%0.54229%0.288SS..Hα-helixtrans-59.5-25.5179.3-66.1-56.2-54.100112.8D78 F82 S83 T84D78-Q80 PolarHBondContact O-N 3.28Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.4Å; D78-Q80 WeakPolarHBondContact OD1-CG 3.3Å; D78-Q80 PolarHBondContact OD1-N 2.81Å; Q80-F82 PolarHBondContact O-N 3.07Å; Q80-S83 WeakPolarHBondContact O-CB 3.41Å; Q80-S83 PolarHBondContact O-N 3.41Å; Q80-S83 PolarHBondContact O-OG 3.49Å; Q80-T84 PolarHBondContact O-N 3.06Å
81V97.9Very high97.5Very high23 Ų2355.8 Ų55.814%0.13930%0.299CS..Hα-helixtrans-52.8-37.2174.273.20000112.6P50 Q51 D78 P79 T84 M85P50-V81 HydrophobicContact CB-CB 4.41Å; P50-V81 HydrophobicContact CB-CG1 3.41Å; P50-V81 VanDerWaalsContact CB-CG1 3.41Å; P50-V81 HydrophobicContact CB-CG2 4.15Å; P50-V81 HydrophobicContact CG-CG1 3.79Å; Q51-V81 HydrophobicContact CG-CG2 4.45Å; D78-V81 WeakPolarHBondContact O-CG1 3.39Å; D78-V81 PolarHBondContact O-N 3.05Å; P79-V81 PolarHBondContact O-N 3.24Å; P79-V81 VanDerWaalsContact O-N 3.13Å; V81-T84 PolarHBondContact O-N 3.4Å; V81-T84 PolarHBondContact O-OG1 2.81Å; V81-M85 HydrophobicContact CG2-CE 4.14Å; V81-M85 WeakPolarHBondContact O-CE 3.37Å; V81-M85 PolarHBondContact O-N 2.9Å
82F98.5Very high97.6Very high0 Ų056.1 Ų56.10%030%0.301CS..Hα-helixtrans-71.8-35.8179.2-67.7-58.3000112P50 L53 V54 V67 Y77 P79 Q80 T84 M85 N86 I87 Y89P50-F82 HydrophobicContact CB-CE1 3.93Å; P50-F82 HydrophobicContact CB-CE2 4.42Å; P50-F82 HydrophobicContact CB-CZ 3.77Å; L53-F82 HydrophobicContact CD2-CE1 4.37Å; V54-F82 HydrophobicContact CG2-CD1 4.4Å; V54-F82 HydrophobicContact CG2-CE1 4.16Å; V67-F82 HydrophobicContact CB-CD2 4.4Å; V67-F82 HydrophobicContact CB-CE2 4.23Å; V67-F82 HydrophobicContact CB-CZ 4.31Å; V67-F82 HydrophobicContact CG1-CD2 4.44Å; V67-F82 HydrophobicContact CG1-CE2 3.85Å; V67-F82 HydrophobicContact CG1-CZ 3.96Å; V67-F82 HydrophobicContact CG2-CD1 3.91Å; V67-F82 HydrophobicContact CG2-CE1 3.72Å; V67-F82 HydrophobicContact CG2-CE2 4.29Å; V67-F82 HydrophobicContact CG2-CG 4.33Å; V67-F82 HydrophobicContact CG2-CZ 3.91Å; Y77-F82 HydrophobicContact CD2-CE2 4.22Å; Y77-F82 HydrophobicContact CE2-CD2 4.16Å; Y77-F82 AromaticContact CE2-CE2 3.45Å; Y77-F82 HydrophobicContact CE2-CE2 3.45Å; Y77-F82 VanDerWaalsContact CE2-CE2 3.45Å; Y77-F82 HydrophobicContact CE2-CZ 4.35Å; Y77-F82 AromaticContact CZ-CE2 3.85Å; P79-F82 PolarHBondContact O-N 3.42Å; P79-F82 VanDerWaalsContact O-N 3.08Å; Q80-F82 PolarHBondContact O-N 3.07Å; F82-T84 VanDerWaalsContact C-N 3.3Å; F82-T84 PolarHBondContact O-N 2.73Å; F82-M85 HydrophobicContact CD1-CE 3.66Å; F82-M85 HydrophobicContact CE1-CE 4.1Å; F82-M85 CarbonylContact O-C 3.55Å; F82-M85 PolarHBondContact O-N 3.22Å; F82-N86 PolarHBondContact O-N 3.49Å; F82-I87 CarbonylContact C-O 3.57Å; F82-I87 HydrophobicContact CB-CB 4.05Å; F82-I87 HydrophobicContact CB-CG2 4.18Å; F82-I87 HydrophobicContact CD1-CB 4.45Å; F82-I87 HydrophobicContact CD1-CD1 4.27Å; F82-I87 HydrophobicContact CD1-CG2 4.23Å; F82-I87 HydrophobicContact CG-CG2 4.45Å; F82-I87 WeakPolarHBondContact O-CB 3.26Å; F82-I87 PolarHBondContact O-N 3.35Å; F82-Y89 AromaticContact CD2-CD2 3.65Å; F82-Y89 HydrophobicContact CD2-CD2 3.65Å; F82-Y89 HydrophobicContact CD2-CE2 4.45Å; F82-Y89 HydrophobicContact CD2-CG 4.31Å; F82-Y89 HydrophobicContact CE2-CD2 4.03Å; F82-Y89 HydrophobicContact CE2-CE2 4.48Å
83S96.3Very high97.6Very high59 Ų5957.9 Ų57.941%0.41330%0.299SS..Hα-helixtrans-62.4-38.517576.20000111.9Q80 M85 N86Q80-S83 WeakPolarHBondContact O-CB 3.41Å; Q80-S83 PolarHBondContact O-N 3.41Å; Q80-S83 PolarHBondContact O-OG 3.49Å; S83-M85 PolarHBondContact O-N 3.45Å; S83-N86 PolarHBondContact O-N 2.81Å
84T97.5Very high97.7Very high109 Ų10956.3 Ų56.367%0.66929%0.289SS*.Hα-helixtrans-65.7-18.4175.666.20000113.6Q80 V81 F82Q80-T84 PolarHBondContact O-N 3.06Å; V81-T84 PolarHBondContact O-N 3.4Å; V81-T84 PolarHBondContact O-OG1 2.81Å; F82-T84 VanDerWaalsContact C-N 3.3Å; F82-T84 PolarHBondContact O-N 2.73Å
85M97.6Very high97.5Very high55 Ų5554.9 Ų54.927%0.27129%0.286SS..THydrogen-bonded Turntrans-10110.2175.7-63.1-176.1-71.300112.5V54 V81 F82 S83 I87V54-M85 HydrophobicContact CB-CE 4.46Å; V54-M85 HydrophobicContact CB-SD 4.15Å; V54-M85 HydrophobicContact CG1-SD 4.31Å; V54-M85 HydrophobicContact CG2-CE 3.65Å; V54-M85 HydrophobicContact CG2-SD 3.93Å; V81-M85 HydrophobicContact CG2-CE 4.14Å; V81-M85 WeakPolarHBondContact O-CE 3.37Å; V81-M85 PolarHBondContact O-N 2.9Å; F82-M85 HydrophobicContact CD1-CE 3.66Å; F82-M85 HydrophobicContact CE1-CE 4.1Å; F82-M85 CarbonylContact O-C 3.55Å; F82-M85 PolarHBondContact O-N 3.22Å; S83-M85 PolarHBondContact O-N 3.45Å; M85-I87 VanDerWaalsContact C-N 3.3Å; M85-I87 HydrophobicContact CB-CD1 3.9Å; M85-I87 HydrophobicContact CB-CG1 4.23Å; M85-I87 HydrophobicContact CE-CD1 4.39Å; M85-I87 PolarHBondContact O-N 2.89Å
86N97.4Very high97Very high144 Ų14453.8 Ų53.877%0.7730%0.299SS*.THydrogen-bonded Turntrans57.936.8-175.2-58.4-55.7000114F82 S83F82-N86 PolarHBondContact O-N 3.49Å; S83-N86 PolarHBondContact O-N 2.81Å
87I98.6Very high96.1Very high11 Ų1156.7 Ų56.76%0.05634%0.335CS..  trans-109.9128.9178.4-64.2168.3000109V54 V64 V67 F82 M85 Y89V54-I87 HydrophobicContact CB-CD1 4.42Å; V54-I87 HydrophobicContact CG1-CD1 4.04Å; V54-I87 HydrophobicContact CG2-CD1 3.43Å; V54-I87 VanDerWaalsContact CG2-CD1 3.43Å; V64-I87 HydrophobicContact CB-CD1 3.91Å; V64-I87 HydrophobicContact CB-CG1 4.39Å; V64-I87 HydrophobicContact CG1-CD1 4.02Å; V64-I87 HydrophobicContact CG1-CG1 4.37Å; V64-I87 HydrophobicContact CG1-CG2 3.87Å; V64-I87 WeakPolarHBondContact O-CG1 3.33Å; V67-I87 HydrophobicContact CB-CG2 4.46Å; V67-I87 HydrophobicContact CG2-CG2 3.82Å; F82-I87 CarbonylContact C-O 3.57Å; F82-I87 HydrophobicContact CB-CB 4.05Å; F82-I87 HydrophobicContact CB-CG2 4.18Å; F82-I87 HydrophobicContact CD1-CB 4.45Å; F82-I87 HydrophobicContact CD1-CD1 4.27Å; F82-I87 HydrophobicContact CD1-CG2 4.23Å; F82-I87 HydrophobicContact CG-CG2 4.45Å; F82-I87 WeakPolarHBondContact O-CB 3.26Å; F82-I87 PolarHBondContact O-N 3.35Å; M85-I87 VanDerWaalsContact C-N 3.3Å; M85-I87 HydrophobicContact CB-CD1 3.9Å; M85-I87 HydrophobicContact CB-CG1 4.23Å; M85-I87 HydrophobicContact CE-CD1 4.39Å; M85-I87 PolarHBondContact O-N 2.89Å; I87-Y89 PolarHBondContact O-N 3.11Å
88E98.5Very high95.4Very high73 Ų7358.4 Ų58.434%0.34136%0.356SS..EExtended strand (participates in β ladder)trans-67.9121.7173.1-173.3-176.616700109.6R65 M66 V67 V90 K112R65-E88 PolarHBondContact O-N 3Å; M66-E88 CarbonylContact C-O 3.57Å; M66-E88 VanDerWaalsContact CA-O 3.26Å; M66-E88 WeakPolarHBondContact CA-O 3.3Å; M66-E88 WeakPolarHBondContact CE-OE2 3.48Å; M66-E88 HydrophobicContact CG-CB 4.46Å; V67-E88 PolarHBondContact N-O 2.99Å; E88-V90 HydrophobicContact CG-CG2 4.12Å; E88-K112 IonicContact OE1-NZ 2.78Å; E88-K112 PolarHBondContact OE1-NZ 2.74Å
89Y98.7Very high95.1Very high57 Ų5756.8 Ų56.822%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-97.1129.3171.2173.6-96.4000110.6V67 D69 Y77 P79 F82 I87 K91V67-Y89 HydrophobicContact CG1-CD2 4.36Å; D69-Y89 HydrophobicContact CB-CE2 3.6Å; D69-Y89 WeakPolarHBondContact CB-OH 3.5Å; D69-Y89 PolarHBondContact OD2-OH 3Å; Y77-Y89 HydrophobicContact CE2-CE2 4.03Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.33Å; P79-Y89 HydrophobicContact CB-CD1 3.38Å; P79-Y89 HydrophobicContact CB-CD2 3.87Å; P79-Y89 HydrophobicContact CB-CE1 3.33Å; P79-Y89 HydrophobicContact CB-CE2 3.83Å; P79-Y89 HydrophobicContact CB-CG 3.63Å; P79-Y89 HydrophobicContact CG-CD1 4.29Å; P79-Y89 HydrophobicContact CG-CE1 3.98Å; F82-Y89 AromaticContact CD2-CD2 3.65Å; F82-Y89 HydrophobicContact CD2-CD2 3.65Å; F82-Y89 HydrophobicContact CD2-CE2 4.45Å; F82-Y89 HydrophobicContact CD2-CG 4.31Å; F82-Y89 HydrophobicContact CE2-CD2 4.03Å; F82-Y89 HydrophobicContact CE2-CE2 4.48Å; I87-Y89 PolarHBondContact O-N 3.11Å; Y89-K91 HydrophobicContact CE1-CB 3.87Å
90V98.7Very high95Very high10 Ų1057.6 Ų57.66%0.06136%0.357CS..EExtended strand (participates in β ladder)trans-124.4124.3178.3178.80000109.3M66 V67 I68 D69 E88 I92 K112M66-V90 HydrophobicContact CE-CG2 4.33Å; M66-V90 HydrophobicContact CG-CG2 4.11Å; M66-V90 HydrophobicContact SD-CG2 4.15Å; V67-V90 PolarHBondContact O-N 3.28Å; I68-V90 CarbonylContact C-O 3.3Å; I68-V90 WeakPolarHBondContact CA-O 3.37Å; I68-V90 HydrophobicContact CG1-CB 4.21Å; D69-V90 PolarHBondContact N-O 3.35Å; E88-V90 HydrophobicContact CG-CG2 4.12Å; V90-I92 HydrophobicContact CG1-CD1 4.36Å; V90-I92 HydrophobicContact CG1-CG1 4.08Å; V90-K112 HydrophobicContact CG1-CD 4.23Å; V90-K112 HydrophobicContact CG1-CG 3.92Å; V90-K112 HydrophobicContact CG2-CD 3.92Å; V90-K112 HydrophobicContact CG2-CG 4.36Å
91K98.6Very high94.8Very high53 Ų5352.3 Ų52.323%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-100.5124.5172.2-177.556.5151.3-166.10110.5D69 T71 T73 N74 Y89 M93D69-K91 HydrophobicContact CB-CD 4.07Å; D69-K91 WeakPolarHBondContact O-CD 3.44Å; D69-K91 IonicContact OD1-NZ 3.69Å; D69-K91 PolarHBondContact OD1-NZ 3.44Å; D69-K91 IonicContact OD2-NZ 2.78Å; D69-K91 PolarHBondContact OD2-NZ 2.78Å; T71-K91 VanDerWaalsContact O-CE 3.25Å; T71-K91 WeakPolarHBondContact O-CE 3.38Å; T71-K91 PolarHBondContact O-NZ 3.17Å; T71-K91 PolarHBondContact OG1-NZ 2.73Å; T73-K91 PolarHBondContact O-NZ 2.86Å; N74-K91 WeakPolarHBondContact OD1-CE 3.44Å; Y89-K91 HydrophobicContact CE1-CB 3.87Å; K91-M93 HydrophobicContact CD-CG 4.23Å; K91-M93 HydrophobicContact CG-CE 4.48Å; K91-M93 HydrophobicContact CG-CG 4.03Å
92I98.4Very high94.7Very high9 Ų954.2 Ų54.25%0.04635%0.347CS..  trans-12592.8168.6-58.8175.7000107.1I68 D69 L70 V90 T94 L105 A108 F109I68-I92 HydrophobicContact CG2-CD1 4.02Å; I68-I92 HydrophobicContact CG2-CG1 4.42Å; D69-I92 PolarHBondContact O-N 2.85Å; L70-I92 CarbonylContact C-O 3.6Å; L70-I92 VanDerWaalsContact CA-O 3.3Å; L70-I92 WeakPolarHBondContact CA-O 3.44Å; L70-I92 HydrophobicContact CD2-CB 4Å; L70-I92 HydrophobicContact CD2-CG2 4.33Å; V90-I92 HydrophobicContact CG1-CD1 4.36Å; V90-I92 HydrophobicContact CG1-CG1 4.08Å; I92-T94 PolarHBondContact O-N 2.69Å; I92-T94 PolarHBondContact O-OG1 2.71Å; I92-T94 VanDerWaalsContact O-OG1 3.09Å; I92-L105 HydrophobicContact CG2-CB 4.1Å; I92-L105 HydrophobicContact CG2-CD2 3.72Å; I92-L105 HydrophobicContact CG2-CG 4.42Å; I92-A108 HydrophobicContact CD1-CB 4.4Å; I92-F109 HydrophobicContact CD1-CB 3.85Å; I92-F109 HydrophobicContact CD1-CD2 4.19Å
93M97.6Very high94.4Very high101 Ų10156.7 Ų56.750%0.49836%0.362SS..  trans-62.1100.4-176.7-73.1-169.5-177.400110.8N74 K91 P95N74-M93 WeakPolarHBondContact OD1-CE 3.19Å; K91-M93 HydrophobicContact CD-CG 4.23Å; K91-M93 HydrophobicContact CG-CE 4.48Å; K91-M93 HydrophobicContact CG-CG 4.03Å; M93-P95 WeakPolarHBondContact O-CD 3.45Å
94T96.7Very high94.4Very high4 Ų460 Ų603%0.02537%0.371CS..  trans-104.9110.6-177.5-540000109.9L70 I92 P101 L105 R140 F144L70-T94 VanDerWaalsContact O-CB 3.26Å; L70-T94 WeakPolarHBondContact O-CB 3.44Å; L70-T94 PolarHBondContact O-N 2.82Å; I92-T94 PolarHBondContact O-N 2.69Å; I92-T94 PolarHBondContact O-OG1 2.71Å; I92-T94 VanDerWaalsContact O-OG1 3.09Å; T94-P101 HydrophobicContact CG2-CB 4.12Å; T94-P101 HydrophobicContact CG2-CG 3.91Å; T94-L105 HydrophobicContact CG2-CD1 4.42Å; T94-R140 HydrophobicContact CG2-CG 4.18Å; T94-F144 HydrophobicContact CG2-CE2 3.77Å; T94-F144 HydrophobicContact CG2-CZ 4.25Å; T94-F144 WeakPolarHBondContact OG1-CE2 3.24Å
95P92.4Very high94.4Very high78 Ų7856.6 Ų56.651%0.50635%0.348SS..  trans-55.7148.4176.6-25.235.1000112.3M93 R140M93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-R140 VanDerWaalsContact O-CZ 3.25Å; P95-R140 PolarHBondContact O-NE 2.74Å; P95-R140 PolarHBondContact O-NH2 2.72Å
96G84.5Confident94.4Very high57 Ų5755.4 Ų55.459%0.58834%0.34SS*.  trans-76-166.6160.500000110.9
97G78.4Confident94.3Very high78 Ų7851 Ų5180%0.80432%0.316SS*.SBendtrans105.927.9161.800000117.4S99G97-S99 PolarHBondContact O-N 3.42Å
98G83.6Confident94.3Very high49 Ų4952 Ų5251%0.50533%0.326SS..SBendtrans84.21.4162.800000116.3Y176G98-Y176 WeakPolarHBondContact CA-OH 3.4Å; G98-Y176 WeakPolarHBondContact O-CE2 3.41Å
99S92.1Very high94.3Very high69 Ų6948.6 Ų48.648%0.48331%0.311SS..SBendtrans-111155.1173.159.30000111.9G97 R140 Y176G97-S99 PolarHBondContact O-N 3.42Å; S99-R140 VanDerWaalsContact O-CZ 3.24Å; S99-R140 PolarHBondContact O-NH1 3.34Å; S99-R140 PolarHBondContact O-NH2 2.81Å; S99-Y176 WeakPolarHBondContact O-CE2 3.42Å
100V94.8Very high94.2Very high55 Ų5546.1 Ų46.133%0.33330%0.302SS..PPolyproline II helixtrans-65.1147.7170.2-62.10000110.4Y143 Y176 L177 D180V100-Y143 HydrophobicContact CB-CE2 4.48Å; V100-Y143 HydrophobicContact CG1-CE2 4.26Å; V100-Y176 HydrophobicContact CG1-CD2 4.14Å; V100-Y176 HydrophobicContact CG1-CE2 4.48Å; V100-L177 HydrophobicContact CG1-CD2 4.12Å; V100-D180 HydrophobicContact CG1-CB 3.71Å
101P95.1Very high94.2Very high5 Ų551.7 Ų51.73%0.03233%0.327CS..PPolyproline II helixtrans-57.4142.2170.6-19.934.9000111.4T94 L105 Y143 F144T94-P101 HydrophobicContact CG2-CB 4.12Å; T94-P101 HydrophobicContact CG2-CG 3.91Å; P101-L105 HydrophobicContact CB-CD1 4.33Å; P101-Y143 HydrophobicContact CB-CE1 4.22Å; P101-Y143 HydrophobicContact CG-CD1 3.57Å; P101-Y143 HydrophobicContact CG-CE1 3.58Å; P101-F144 HydrophobicContact CB-CE1 4.47Å; P101-F144 HydrophobicContact CB-CE2 3.92Å; P101-F144 HydrophobicContact CB-CZ 3.61Å; P101-F144 HydrophobicContact CG-CD2 4.42Å; P101-F144 HydrophobicContact CG-CE2 3.62Å; P101-F144 HydrophobicContact CG-CZ 3.87Å
102C94.1Very high94.2Very high63 Ų6352.9 Ų52.943%0.42633%0.332SS..PPolyproline II helixtrans-66.3164.5179.666.70000112.2E104 L105 R106C102-E104 VanDerWaalsContact C-N 3.27Å; C102-E104 VanDerWaalsContact CB-OE2 3.3Å; C102-E104 WeakPolarHBondContact CB-OE2 3.37Å; C102-E104 PolarHBondContact O-N 3.09Å; C102-E104 PolarHBondContact SG-OE2 2.93Å; C102-L105 PolarHBondContact O-N 3.04Å; C102-R106 PolarHBondContact O-N 2.72Å
103V93.9Very high94.2Very high52 Ų5252.5 Ų52.532%0.31533%0.33SS..Hα-helixtrans-58-41.3-175.1175.50000110.9L105 R106 I107V103-L105 VanDerWaalsContact C-N 3.34Å; V103-L105 PolarHBondContact O-N 3.17Å; V103-R106 WeakPolarHBondContact O-CA 3.42Å; V103-R106 WeakPolarHBondContact O-CB 3.25Å; V103-R106 PolarHBondContact O-N 3.29Å; V103-I107 HydrophobicContact CG1-CD1 3.7Å; V103-I107 HydrophobicContact CG1-CG1 4.19Å; V103-I107 WeakPolarHBondContact O-CG1 3.26Å; V103-I107 PolarHBondContact O-N 3.5Å
104E95.9Very high94.2Very high128 Ų12852.5 Ų52.560%0.59833%0.328SS*.Hα-helixtrans-62.6-40.5-176.3-58.173.5-160.200111.6C102 R106 I107 A108C102-E104 VanDerWaalsContact C-N 3.27Å; C102-E104 VanDerWaalsContact CB-OE2 3.3Å; C102-E104 WeakPolarHBondContact CB-OE2 3.37Å; C102-E104 PolarHBondContact O-N 3.09Å; C102-E104 PolarHBondContact SG-OE2 2.93Å; E104-R106 VanDerWaalsContact C-N 3.33Å; E104-R106 PolarHBondContact O-N 2.85Å; E104-I107 PolarHBondContact O-N 3.45Å; E104-A108 WeakPolarHBondContact O-CB 3.39Å; E104-A108 PolarHBondContact O-N 2.87Å
105L97.2Very high94.3Very high37 Ų3753.7 Ų53.719%0.19434%0.34CS..Hα-helixtrans-66.5-38.2175.9-62.6176.7000111.1I92 T94 P101 C102 V103 A108 F109 F144I92-L105 HydrophobicContact CG2-CB 4.1Å; I92-L105 HydrophobicContact CG2-CD2 3.72Å; I92-L105 HydrophobicContact CG2-CG 4.42Å; T94-L105 HydrophobicContact CG2-CD1 4.42Å; P101-L105 HydrophobicContact CB-CD1 4.33Å; C102-L105 PolarHBondContact O-N 3.04Å; V103-L105 VanDerWaalsContact C-N 3.34Å; V103-L105 PolarHBondContact O-N 3.17Å; L105-A108 PolarHBondContact O-N 3.42Å; L105-F109 PolarHBondContact O-N 3.23Å; L105-F144 HydrophobicContact CB-CE1 4.18Å; L105-F144 HydrophobicContact CB-CZ 3.92Å; L105-F144 WeakPolarHBondContact O-CE1 3.31Å
106R96.5Very high94.5Very high30 Ų3050 Ų5011%0.11332%0.316CS..Hα-helixtrans-67-41.4177-69-172.3-75.5134.2-5.8111.8C102 V103 E104 F109 A110 Y143 F144C102-R106 PolarHBondContact O-N 2.72Å; V103-R106 WeakPolarHBondContact O-CA 3.42Å; V103-R106 WeakPolarHBondContact O-CB 3.25Å; V103-R106 PolarHBondContact O-N 3.29Å; E104-R106 VanDerWaalsContact C-N 3.33Å; E104-R106 PolarHBondContact O-N 2.85Å; R106-F109 PolarHBondContact O-N 3.27Å; R106-A110 WeakPolarHBondContact O-CB 3.49Å; R106-A110 PolarHBondContact O-N 2.72Å; R106-Y143 WeakPolarHBondContact CD-OH 3.46Å; R106-Y143 HydrophobicContact CG-CE1 4.22Å; R106-F144 HydrophobicContact CG-CE1 4.13Å
107I96.2Very high95.1Very high51 Ų5149.6 Ų49.626%0.26230%0.298SS..Hα-helixtrans-59-51.8172.9-70.5169.9000109.7V103 E104 F109 A110 E111 L191V103-I107 HydrophobicContact CG1-CD1 3.7Å; V103-I107 HydrophobicContact CG1-CG1 4.19Å; V103-I107 WeakPolarHBondContact O-CG1 3.26Å; V103-I107 PolarHBondContact O-N 3.5Å; E104-I107 PolarHBondContact O-N 3.45Å; I107-F109 VanDerWaalsContact C-N 3.27Å; I107-F109 PolarHBondContact O-N 2.97Å; I107-A110 PolarHBondContact O-N 3.07Å; I107-E111 HydrophobicContact CG2-CG 4.12Å; I107-E111 WeakPolarHBondContact O-CG 3.5Å; I107-E111 PolarHBondContact O-N 3.3Å; I107-L191 HydrophobicContact CB-CD2 4.44Å; I107-L191 HydrophobicContact CG1-CD2 3.49Å; I107-L191 VanDerWaalsContact CG1-CD2 3.49Å
108A97.9Very high96Very high33 Ų3354.4 Ų54.427%0.27330%0.297SS..Hα-helixtrans-57.6-39.5179.800000112.6I92 E104 L105 K112I92-A108 HydrophobicContact CD1-CB 4.4Å; E104-A108 WeakPolarHBondContact O-CB 3.39Å; E104-A108 PolarHBondContact O-N 2.87Å; L105-A108 PolarHBondContact O-N 3.42Å; A108-K112 WeakPolarHBondContact O-CG 3.16Å; A108-K112 PolarHBondContact O-N 3.39Å
109F98.5Very high96.7Very high2 Ų257.7 Ų57.71%0.00930%0.302CS..Hα-helixtrans-63.5-50.3173.6-176.8-89000111.4F26 I68 L70 I92 L105 R106 I107 E111 K112 V113 V132 F144 I145 Y148F26-F109 HydrophobicContact CE1-CE1 4.3Å; F26-F109 AromaticContact CE1-CZ 3.96Å; F26-F109 HydrophobicContact CE1-CZ 3.96Å; F26-F109 HydrophobicContact CZ-CE1 4.35Å; F26-F109 HydrophobicContact CZ-CZ 4.43Å; I68-F109 HydrophobicContact CD1-CD2 3.91Å; I68-F109 HydrophobicContact CD1-CE2 3.63Å; I68-F109 HydrophobicContact CD1-CZ 4.33Å; I68-F109 HydrophobicContact CG2-CD2 4.04Å; I68-F109 HydrophobicContact CG2-CE2 4.12Å; L70-F109 HydrophobicContact CD2-CD2 4.45Å; I92-F109 HydrophobicContact CD1-CB 3.85Å; I92-F109 HydrophobicContact CD1-CD2 4.19Å; L105-F109 PolarHBondContact O-N 3.23Å; R106-F109 PolarHBondContact O-N 3.27Å; I107-F109 VanDerWaalsContact C-N 3.27Å; I107-F109 PolarHBondContact O-N 2.97Å; F109-E111 PolarHBondContact O-N 3.21Å; F109-K112 PolarHBondContact O-N 3.5Å; F109-V113 HydrophobicContact CD1-CG2 4.06Å; F109-V113 HydrophobicContact CE1-CG2 3.68Å; F109-V113 HydrophobicContact CZ-CG2 4.03Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.23Å; F109-V132 HydrophobicContact CE2-CG1 3.96Å; F109-V132 HydrophobicContact CE2-CG2 3.99Å; F109-V132 HydrophobicContact CZ-CG2 4.06Å; F109-F144 HydrophobicContact CB-CD1 3.5Å; F109-F144 VanDerWaalsContact CB-CD1 3.5Å; F109-F144 HydrophobicContact CB-CE1 3.89Å; F109-F144 HydrophobicContact CD1-CB 4.18Å; F109-F144 HydrophobicContact CD1-CD1 4.16Å; F109-F144 HydrophobicContact CD2-CB 3.86Å; F109-F144 AromaticContact CD2-CD1 3.83Å; F109-F144 HydrophobicContact CD2-CD1 3.83Å; F109-F144 HydrophobicContact CD2-CG 4.06Å; F109-F144 HydrophobicContact CE1-CB 4.13Å; F109-F144 HydrophobicContact CE2-CB 3.81Å; F109-F144 HydrophobicContact CE2-CG 4.47Å; F109-F144 HydrophobicContact CG-CB 4.05Å; F109-F144 AromaticContact CG-CD1 3.56Å; F109-F144 HydrophobicContact CG-CD1 3.56Å; F109-F144 HydrophobicContact CG-CE1 4.4Å; F109-F144 HydrophobicContact CG-CG 4.17Å; F109-F144 HydrophobicContact CZ-CB 3.95Å; F109-I145 HydrophobicContact CZ-CG1 4.24Å; F109-Y148 HydrophobicContact CD1-CG 4.42Å; F109-Y148 HydrophobicContact CE1-CG 4.12Å
110A97.9Very high96.8Very high4 Ų458.7 Ų58.73%0.03330%0.295CS..Hα-helixtrans-61.2-42.2-178.800000112.3R106 I107 K112 V113 K114 Y148 L191R106-A110 WeakPolarHBondContact O-CB 3.49Å; R106-A110 PolarHBondContact O-N 2.72Å; I107-A110 PolarHBondContact O-N 3.07Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 2.87Å; A110-V113 PolarHBondContact O-N 2.82Å; A110-K114 WeakPolarHBondContact O-CB 3.47Å; A110-K114 VanDerWaalsContact O-CG 3.25Å; A110-K114 WeakPolarHBondContact O-CG 3.33Å; A110-K114 PolarHBondContact O-N 3.36Å; A110-Y148 HydrophobicContact CB-CD2 3.86Å; A110-Y148 HydrophobicContact CB-CE2 4.21Å; A110-L191 HydrophobicContact CB-CD1 4.38Å
111E97.9Very high96.8Very high127 Ų12765 Ų6559%0.59332%0.318SS*.Hα-helixtrans-60.3-41.8176-72.3179.2149.100112I107 F109 K114 G115I107-E111 HydrophobicContact CG2-CG 4.12Å; I107-E111 WeakPolarHBondContact O-CG 3.5Å; I107-E111 PolarHBondContact O-N 3.3Å; F109-E111 PolarHBondContact O-N 3.21Å; E111-K114 PolarHBondContact O-N 2.9Å; E111-G115 PolarHBondContact O-N 2.83Å
112K98.6Very high96.8Very high79 Ų7966.3 Ų66.334%0.34332%0.323SS..Hα-helixtrans-66.5-41.3177.5-74.2-67.3-167.6175.40112.5M66 E88 V90 A108 F109 A110 G115 F116M66-K112 HydrophobicContact SD-CB 4.38Å; E88-K112 IonicContact OE1-NZ 2.78Å; E88-K112 PolarHBondContact OE1-NZ 2.74Å; V90-K112 HydrophobicContact CG1-CD 4.23Å; V90-K112 HydrophobicContact CG1-CG 3.92Å; V90-K112 HydrophobicContact CG2-CD 3.92Å; V90-K112 HydrophobicContact CG2-CG 4.36Å; A108-K112 WeakPolarHBondContact O-CG 3.16Å; A108-K112 PolarHBondContact O-N 3.39Å; F109-K112 PolarHBondContact O-N 3.5Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 2.87Å; K112-G115 PolarHBondContact O-N 2.94Å; K112-F116 WeakPolarHBondContact O-CB 3.27Å; K112-F116 PolarHBondContact O-N 2.99Å
113V98.4Very high96.8Very high0 Ų066 Ų660%032%0.321CS..Hα-helixtrans-66.6-44.8174.8-178.40000111.3F26 I68 F109 A110 G115 F116 K117 I130 Y148F26-V113 HydrophobicContact CE1-CG1 4.17Å; F26-V113 HydrophobicContact CE1-CG2 3.71Å; F26-V113 HydrophobicContact CZ-CB 4.4Å; F26-V113 HydrophobicContact CZ-CG1 3.7Å; F26-V113 HydrophobicContact CZ-CG2 3.79Å; I68-V113 HydrophobicContact CD1-CG2 4.47Å; F109-V113 HydrophobicContact CD1-CG2 4.06Å; F109-V113 HydrophobicContact CE1-CG2 3.68Å; F109-V113 HydrophobicContact CZ-CG2 4.03Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.23Å; A110-V113 PolarHBondContact O-N 2.82Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 3.37Å; V113-F116 WeakPolarHBondContact O-CB 3.22Å; V113-F116 PolarHBondContact O-N 3.31Å; V113-K117 PolarHBondContact O-N 2.83Å; V113-I130 HydrophobicContact CB-CD1 4.29Å; V113-I130 HydrophobicContact CG1-CD1 3.96Å; V113-I130 HydrophobicContact CG2-CD1 4.03Å; V113-Y148 HydrophobicContact CB-CD2 4.43Å; V113-Y148 HydrophobicContact CB-CE1 4.32Å; V113-Y148 HydrophobicContact CB-CE2 3.86Å; V113-Y148 HydrophobicContact CG1-CD1 4.4Å; V113-Y148 HydrophobicContact CG1-CE1 3.61Å; V113-Y148 HydrophobicContact CG1-CE2 3.94Å; V113-Y148 WeakPolarHBondContact CG1-OH 3.48Å
114K97.7Very high96.6Very high102 Ų10266.4 Ų66.444%0.44333%0.33SS..Hα-helixtrans-59.8-43.7176.2-73.1173.2-178.7-179.40111.1A110 E111 K117 K118A110-K114 WeakPolarHBondContact O-CB 3.47Å; A110-K114 VanDerWaalsContact O-CG 3.25Å; A110-K114 WeakPolarHBondContact O-CG 3.33Å; A110-K114 PolarHBondContact O-N 3.36Å; E111-K114 PolarHBondContact O-N 2.9Å; K114-K117 PolarHBondContact O-N 3.02Å; K114-K118 WeakPolarHBondContact O-CB 3.35Å; K114-K118 PolarHBondContact O-N 3.2Å
115G97.9Very high96.2Very high28 Ų2867.3 Ų67.329%0.28934%0.339SS..Hα-helixtrans-60.6-48.1175.100000112.7E111 K112 V113 K117 K118 I119E111-G115 PolarHBondContact O-N 2.83Å; K112-G115 PolarHBondContact O-N 2.94Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 3.37Å; G115-K117 PolarHBondContact O-N 3.45Å; G115-K118 PolarHBondContact O-N 3.01Å; G115-I119 VanDerWaalsContact O-CG1 3.31Å; G115-I119 WeakPolarHBondContact O-CG1 3.25Å; G115-I119 PolarHBondContact O-N 3.08Å
116F98.2Very high96Very high2 Ų267.6 Ų67.61%0.00934%0.341CS..Hα-helixtrans-53.3-53.5173.4173.7-79.9000111.4P25 R65 M66 K112 V113 K118 I119 W120 Y122 I130P25-F116 HydrophobicContact CB-CE1 3.88Å; P25-F116 HydrophobicContact CB-CZ 4.3Å; P25-F116 HydrophobicContact CG-CE1 4.5Å; R65-F116 HydrophobicContact CB-CD2 4.43Å; R65-F116 HydrophobicContact CB-CE2 3.66Å; R65-F116 HydrophobicContact CB-CZ 4.33Å; R65-F116 HydrophobicContact CG-CE2 4.42Å; M66-F116 HydrophobicContact CB-CD2 3.82Å; M66-F116 HydrophobicContact CB-CE2 4.08Å; M66-F116 HydrophobicContact CE-CB 3.9Å; M66-F116 HydrophobicContact CE-CD2 4.21Å; M66-F116 HydrophobicContact SD-CB 4.47Å; M66-F116 HydrophobicContact SD-CD2 4.43Å; K112-F116 WeakPolarHBondContact O-CB 3.27Å; K112-F116 PolarHBondContact O-N 2.99Å; V113-F116 WeakPolarHBondContact O-CB 3.22Å; V113-F116 PolarHBondContact O-N 3.31Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.29Å; F116-I119 PolarHBondContact O-N 2.83Å; F116-W120 AromaticContact CD2-CD1 3.78Å; F116-W120 AromaticContact CE2-CD1 3.96Å; F116-W120 AromaticContact CG-CD1 3.97Å; F116-W120 PolarHBondContact O-N 2.84Å; F116-Y122 HydrophobicContact CE1-CD2 4.01Å; F116-Y122 HydrophobicContact CE1-CG 4.41Å; F116-I130 HydrophobicContact CB-CD1 3.95Å; F116-I130 HydrophobicContact CB-CG1 4.46Å; F116-I130 HydrophobicContact CD1-CD1 3.8Å; F116-I130 HydrophobicContact CD1-CG1 3.94Å; F116-I130 HydrophobicContact CD2-CD1 3.91Å; F116-I130 HydrophobicContact CD2-CG1 3.47Å; F116-I130 VanDerWaalsContact CD2-CG1 3.47Å; F116-I130 HydrophobicContact CE1-CD1 4.26Å; F116-I130 HydrophobicContact CE1-CG1 3.98Å; F116-I130 HydrophobicContact CE2-CD1 4.25Å; F116-I130 HydrophobicContact CE2-CG1 3.38Å; F116-I130 HydrophobicContact CG-CD1 3.65Å; F116-I130 HydrophobicContact CG-CG1 3.73Å; F116-I130 HydrophobicContact CZ-CD1 4.47Å; F116-I130 HydrophobicContact CZ-CG1 3.71Å
117K97.5Very high96Very high47 Ų4770.5 Ų70.520%0.20436%0.356CS..Hα-helixtrans-60.8-38.8-176.5-73.8-169168.7-164.50111.5V113 K114 G115 K121 Y122 E153V113-K117 PolarHBondContact O-N 2.83Å; K114-K117 PolarHBondContact O-N 3.02Å; G115-K117 PolarHBondContact O-N 3.45Å; K117-K121 WeakPolarHBondContact O-CA 3.28Å; K117-K121 PolarHBondContact O-N 2.96Å; K117-Y122 HydrophobicContact CD-CD1 4.11Å; K117-Y122 HydrophobicContact CG-CD1 4.03Å; K117-Y122 HydrophobicContact CG-CG 4.2Å; K117-Y122 PolarHBondContact O-N 2.92Å; K117-E153 WeakPolarHBondContact CE-OE1 3.35Å; K117-E153 IonicContact NZ-OE1 3.6Å; K117-E153 PolarHBondContact NZ-OE1 3.32Å; K117-E153 IonicContact NZ-OE2 3.17Å; K117-E153 PolarHBondContact NZ-OE2 3.36Å
118K97.3Very high96.1Very high179 Ų17968.3 Ų68.378%0.77835%0.345SS*.Hα-helixtrans-65.9-48.3176.2-176.5178.7178.81800112.5K114 G115 F116 K121K114-K118 WeakPolarHBondContact O-CB 3.35Å; K114-K118 PolarHBondContact O-N 3.2Å; G115-K118 PolarHBondContact O-N 3.01Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.29Å; K118-K121 PolarHBondContact O-N 2.75Å
119I96.6Very high96.1Very high119 Ų11966.8 Ų66.861%0.6133%0.332SS*.Hα-helixtrans-63.9-45.7-177.5-71.1166.4000110.7G115 F116 K121G115-I119 VanDerWaalsContact O-CG1 3.31Å; G115-I119 WeakPolarHBondContact O-CG1 3.25Å; G115-I119 PolarHBondContact O-N 3.08Å; F116-I119 PolarHBondContact O-N 2.83Å; I119-K121 VanDerWaalsContact C-N 3.32Å
120W94.7Very high96.1Very high89 Ų8966.7 Ų66.734%0.33733%0.332SS..Hα-helixtrans-86.8-0.4-176.5-67103.9000113.8R65 F116 Y122R65-W120 HydrophobicContact CB-CD2 4.49Å; R65-W120 HydrophobicContact CB-CZ2 3.93Å; R65-W120 VanDerWaalsContact CD-CZ2 3.46Å; R65-W120 HydrophobicContact CG-CD2 4.06Å; R65-W120 HydrophobicContact CG-CE3 4.45Å; R65-W120 HydrophobicContact CG-CH2 4.24Å; R65-W120 HydrophobicContact CG-CZ2 3.79Å; F116-W120 AromaticContact CD2-CD1 3.78Å; F116-W120 AromaticContact CE2-CD1 3.96Å; F116-W120 AromaticContact CG-CD1 3.97Å; F116-W120 PolarHBondContact O-N 2.84Å; W120-Y122 PolarHBondContact O-N 2.88Å
121K95.1Very high96.1Very high188 Ų18866.5 Ų66.582%0.81733%0.33SS*.THydrogen-bonded Turntrans46.942.7-171.5-58.2-179-179.1178.20111.4K117 K118 I119 S123K117-K121 WeakPolarHBondContact O-CA 3.28Å; K117-K121 PolarHBondContact O-N 2.96Å; K118-K121 PolarHBondContact O-N 2.75Å; I119-K121 VanDerWaalsContact C-N 3.32Å; K121-S123 PolarHBondContact O-N 2.87Å
122Y95.7Very high96.2Very high32 Ų3260.4 Ų60.413%0.12530%0.302CS..  trans-56.1132.7-167.7172.1-90.1000111.8R20 G23 T24 P25 F116 K117 W120 D126R20-Y122 PolarHBondContact NH2-OH 2.82Å; G23-Y122 PolarHBondContact O-OH 3.4Å; T24-Y122 WeakPolarHBondContact CA-OH 3.32Å; T24-Y122 PolarHBondContact O-OH 2.72Å; P25-Y122 HydrophobicContact CB-CD2 4.12Å; P25-Y122 HydrophobicContact CB-CE2 3.61Å; P25-Y122 HydrophobicContact CG-CE1 4.49Å; P25-Y122 HydrophobicContact CG-CE2 4.35Å; P25-Y122 VanDerWaalsContact N-OH 3.11Å; F116-Y122 HydrophobicContact CE1-CD2 4.01Å; F116-Y122 HydrophobicContact CE1-CG 4.41Å; K117-Y122 HydrophobicContact CD-CD1 4.11Å; K117-Y122 HydrophobicContact CG-CD1 4.03Å; K117-Y122 HydrophobicContact CG-CG 4.2Å; K117-Y122 PolarHBondContact O-N 2.92Å; W120-Y122 PolarHBondContact O-N 2.88Å; Y122-D126 HydrophobicContact CD2-CB 4Å; Y122-D126 HydrophobicContact CE2-CB 4.25Å
123S93.9Very high96.2Very high57 Ų5756.7 Ų56.740%0.39929%0.285SS..  trans-122.1168.4167.970.30000110.3K121 D125 D126K121-S123 PolarHBondContact O-N 2.87Å; S123-D125 PolarHBondContact O-N 2.77Å; S123-D126 WeakPolarHBondContact O-CB 3.25Å; S123-D126 PolarHBondContact O-N 2.79Å; S123-D126 VanDerWaalsContact O-N 3.1Å
124A88.5Confident96.2Very high61 Ų6157.1 Ų57.150%0.50429%0.289SS..THydrogen-bonded Turntrans-61.5-27179.500000113.4
125D88.9Confident96.2Very high147 Ų14754 Ų5479%0.78628%0.278SS*.THydrogen-bonded Turntrans-88.7-2.2179-54-47.2000113.1S123S123-D125 PolarHBondContact O-N 2.77Å
126D91.9Very high96.2Very high43 Ų4354.7 Ų54.723%0.2327%0.274CS..  trans-75.1133.5178.4-165.4-70.9000110.4R20 Y122 S123 S128R20-D126 PolarHBondContact NH1-O 2.89Å; R20-D126 PolarHBondContact NH2-O 2.7Å; Y122-D126 HydrophobicContact CD2-CB 4Å; Y122-D126 HydrophobicContact CE2-CB 4.25Å; S123-D126 WeakPolarHBondContact O-CB 3.25Å; S123-D126 PolarHBondContact O-N 2.79Å; S123-D126 VanDerWaalsContact O-N 3.1Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 3.23Å; D126-S128 VanDerWaalsContact OD1-CA 3.31Å; D126-S128 WeakPolarHBondContact OD1-CA 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.39Å; D126-S128 PolarHBondContact OD1-N 3.12Å; D126-S128 PolarHBondContact OD1-OG 2.87Å
127E96.1Very high96.2Very high90 Ų9054.6 Ų54.642%0.42127%0.273SS..  trans-80.2-3.9179.3-66.2-56.5157.800114.2R20 H62 T63R20-E127 IonicContact NH1-OE2 2.81Å; H62-E127 CarbonylContact C-O 3.52Å; H62-E127 WeakPolarHBondContact CA-O 3.47Å; H62-E127 IonicContact CE1-OE2 2.7Å; H62-E127 PolarHBondContact CE1-OE2 2.6Å; H62-E127 IonicContact CG-OE2 3.9Å; H62-E127 IonicContact ND1-OE2 3.23Å; H62-E127 PolarHBondContact ND1-OE2 3.41Å; T63-E127 PolarHBondContact N-O 3.02Å
128S98Very high96.2Very high6 Ų652.4 Ų52.44%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-72.9129178.4-54.80000111T63 D126T63-S128 CarbonylContact O-C 3.54Å; T63-S128 VanDerWaalsContact O-CA 3.28Å; T63-S128 WeakPolarHBondContact O-CA 3.31Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 3.23Å; D126-S128 VanDerWaalsContact OD1-CA 3.31Å; D126-S128 WeakPolarHBondContact OD1-CA 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.39Å; D126-S128 PolarHBondContact OD1-N 3.12Å; D126-S128 PolarHBondContact OD1-OG 2.87Å
129V98.6Very high96.2Very high0 Ų044.7 Ų44.70%023%0.231CC..EExtended strand (participates in β ladder)trans-125.8153.2-177.3-63.60000113.1R20 P25 I27 I57 H62 T63 V64 R65R20-V129 HydrophobicContact CG-CG1 4.38Å; P25-V129 CarbonylContact O-C 3.44Å; P25-V129 WeakPolarHBondContact O-CA 3.1Å; P25-V129 VanDerWaalsContact O-CB 3.27Å; P25-V129 WeakPolarHBondContact O-CB 3.21Å; I27-V129 HydrophobicContact CD1-CB 4.15Å; I27-V129 HydrophobicContact CD1-CG1 4.08Å; I27-V129 HydrophobicContact CD1-CG2 3.86Å; I27-V129 HydrophobicContact CG1-CB 4.28Å; I27-V129 HydrophobicContact CG1-CG1 4.28Å; I27-V129 HydrophobicContact CG1-CG2 4.45Å; I57-V129 HydrophobicContact CG2-CG2 3.65Å; H62-V129 HydrophobicContact CB-CG1 3.83Å; H62-V129 HydrophobicContact CB-CG2 3.91Å; T63-V129 PolarHBondContact O-N 2.82Å; V64-V129 HydrophobicContact CG2-CG2 4.29Å; R65-V129 PolarHBondContact N-O 2.93Å
130I98.8Very high96.3Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-99.7114.2165.9-55.1174000107.2P25 F26 I27 M66 I68 V113 F116 V132P25-I130 HydrophobicContact CB-CD1 4.34Å; P25-I130 HydrophobicContact CB-CG1 4.17Å; P25-I130 HydrophobicContact CG-CD1 4.02Å; P25-I130 HydrophobicContact CG-CG1 4.38Å; P25-I130 PolarHBondContact O-N 3.06Å; F26-I130 HydrophobicContact CD1-CB 4.18Å; F26-I130 HydrophobicContact CD1-CG2 4.47Å; F26-I130 HydrophobicContact CE1-CB 4.45Å; F26-I130 HydrophobicContact CE1-CD1 4.05Å; I27-I130 PolarHBondContact N-O 2.67Å; M66-I130 HydrophobicContact CB-CG1 4.3Å; M66-I130 HydrophobicContact CB-CG2 4.32Å; M66-I130 HydrophobicContact CG-CG2 4.27Å; M66-I130 WeakPolarHBondContact O-CA 2.88Å; M66-I130 HydrophobicContact SD-CD1 4.45Å; M66-I130 HydrophobicContact SD-CG1 4.44Å; M66-I130 HydrophobicContact SD-CG2 4.15Å; I68-I130 HydrophobicContact CD1-CG2 3.7Å; I68-I130 HydrophobicContact CG1-CG2 3.86Å; V113-I130 HydrophobicContact CB-CD1 4.29Å; V113-I130 HydrophobicContact CG1-CD1 3.96Å; V113-I130 HydrophobicContact CG2-CD1 4.03Å; F116-I130 HydrophobicContact CB-CD1 3.95Å; F116-I130 HydrophobicContact CB-CG1 4.46Å; F116-I130 HydrophobicContact CD1-CD1 3.8Å; F116-I130 HydrophobicContact CD1-CG1 3.94Å; F116-I130 HydrophobicContact CD2-CD1 3.91Å; F116-I130 HydrophobicContact CD2-CG1 3.47Å; F116-I130 VanDerWaalsContact CD2-CG1 3.47Å; F116-I130 HydrophobicContact CE1-CD1 4.26Å; F116-I130 HydrophobicContact CE1-CG1 3.98Å; F116-I130 HydrophobicContact CE2-CD1 4.25Å; F116-I130 HydrophobicContact CE2-CG1 3.38Å; F116-I130 HydrophobicContact CG-CD1 3.65Å; F116-I130 HydrophobicContact CG-CG1 3.73Å; F116-I130 HydrophobicContact CZ-CD1 4.47Å; F116-I130 HydrophobicContact CZ-CG1 3.71Å; I130-V132 HydrophobicContact CG2-CG2 3.89Å
131C98.9Very high96.4Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-83.9116.8169.31770000109.3I27 L53 I57 V64 M66 V67 I68I27-C131 WeakPolarHBondContact O-CA 3.39Å; L53-C131 HydrophobicContact CD2-CB 4.38Å; I57-C131 HydrophobicContact CD1-CB 3.88Å; V64-C131 HydrophobicContact CG1-CB 4.39Å; M66-C131 PolarHBondContact O-N 3.46Å; V67-C131 CarbonylContact C-O 3.48Å; V67-C131 WeakPolarHBondContact CA-O 3.3Å; V67-C131 HydrophobicContact CG2-CB 4.15Å; I68-C131 PolarHBondContact N-O 2.97Å
132V98.9Very high96.6Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-106.7123.9176.4-174.40000108.7F26 I27 A28 S29 I68 L70 F109 I130 A141 I145F26-V132 HydrophobicContact CD1-CG2 3.95Å; F26-V132 HydrophobicContact CE1-CG2 4.4Å; I27-V132 PolarHBondContact O-N 2.94Å; A28-V132 WeakPolarHBondContact CA-O 3.2Å; S29-V132 PolarHBondContact N-O 2.91Å; I68-V132 HydrophobicContact CB-CG1 4.48Å; I68-V132 HydrophobicContact CB-CG2 4.38Å; I68-V132 HydrophobicContact CD1-CG2 4.44Å; L70-V132 HydrophobicContact CD1-CG1 3.63Å; L70-V132 HydrophobicContact CG-CG1 4.18Å; F109-V132 HydrophobicContact CE2-CG1 3.96Å; F109-V132 HydrophobicContact CE2-CG2 3.99Å; F109-V132 HydrophobicContact CZ-CG2 4.06Å; I130-V132 HydrophobicContact CG2-CG2 3.89Å; V132-A141 HydrophobicContact CG1-CB 4.13Å; V132-I145 HydrophobicContact CB-CD1 3.81Å; V132-I145 HydrophobicContact CB-CG1 4.22Å; V132-I145 HydrophobicContact CG1-CD1 4.25Å; V132-I145 HydrophobicContact CG1-CG1 4.38Å; V132-I145 HydrophobicContact CG2-CD1 4.01Å; V132-I145 HydrophobicContact CG2-CG1 4.03Å
133H98.8Very high96.7Very high0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-129.5151.517780.285000112.8S29 T31 I68 D69 L70 Y77S29-H133 WeakPolarHBondContact O-CA 3.16Å; S29-H133 WeakPolarHBondContact O-CB 3.19Å; T31-H133 WeakPolarHBondContact CA-ND1 3.32Å; T31-H133 PolarHBondContact OG1-CE1 3.33Å; I68-H133 PolarHBondContact O-N 2.99Å; D69-H133 VanDerWaalsContact CB-NE2 3.29Å; D69-H133 WeakPolarHBondContact CB-NE2 3.24Å; D69-H133 IonicContact OD1-CE1 3.67Å; D69-H133 PolarHBondContact OD1-CE1 2.98Å; D69-H133 IonicContact OD1-ND1 2.65Å; D69-H133 IonicContact OD1-NE2 3.81Å; D69-H133 IonicContact OD2-CE1 3.06Å; L70-H133 VanDerWaalsContact CB-O 3.3Å; L70-H133 WeakPolarHBondContact CB-O 3.5Å; L70-H133 PolarHBondContact N-O 3.06Å; Y77-H133 AromaticContact CE1-CE1 3.81Å; Y77-H133 AromaticContact CE1-NE2 3.85Å; Y77-H133 AromaticContact CZ-NE2 3.65Å; Y77-H133 PolarHBondContact OH-CE1 2.93Å; Y77-H133 PolarHBondContact OH-NE2 2.77Å
134C97.9Very high97Very high10 Ų1022.8 Ų22.87%0.06813%0.126CC..EExtended strand (participates in β ladder)trans-127.3-161.4161.968.10000107.9T31 L70 H136 G137 R140T31-C134 WeakPolarHBondContact CB-O 3.44Å; T31-C134 PolarHBondContact N-O 3.22Å; L70-C134 HydrophobicContact CB-CB 4.07Å; C134-H136 VanDerWaalsContact C-N 3.3Å; C134-H136 PolarHBondContact O-N 2.93Å; C134-G137 PolarHBondContact SG-N 2.8Å; C134-R140 HydrophobicContact CB-CB 3.81Å
135T97.4Very high97.5Very high35 Ų3519.9 Ų19.922%0.21510%0.102CC..SBendtrans-57.4-45.2-179.4-54.40000111.7P8 T31P8-T135 HydrophobicContact CB-CG2 3.45Å; P8-T135 VanDerWaalsContact CB-CG2 3.45Å; P8-T135 HydrophobicContact CG-CG2 3.9Å; T31-T135 PolarHBondContact N-O 2.84Å
136H97.7Very high97.9Very high44 Ų4412.9 Ų12.920%0.2047%0.065CC..SBendtrans-112.2-12.4-175.8-51.5105.5000113.4D9 Y14 K30 C134 V138 R168D9-H136 PolarHBondContact O-NE2 3.16Å; Y14-H136 HydrophobicContact CD1-CB 4.15Å; Y14-H136 HydrophobicContact CD2-CB 3.72Å; Y14-H136 AromaticContact CD2-CD2 3.47Å; Y14-H136 VanDerWaalsContact CD2-CD2 3.47Å; Y14-H136 WeakPolarHBondContact CD2-CD2 3.46Å; Y14-H136 AromaticContact CD2-CG 3.88Å; Y14-H136 HydrophobicContact CE1-CB 4.1Å; Y14-H136 HydrophobicContact CE2-CB 3.68Å; Y14-H136 AromaticContact CE2-CD2 3.26Å; Y14-H136 WeakPolarHBondContact CE2-CD2 3.34Å; Y14-H136 AromaticContact CE2-CG 3.55Å; Y14-H136 HydrophobicContact CG-CB 3.95Å; K30-H136 WeakPolarHBondContact CB-O 3.25Å; C134-H136 VanDerWaalsContact C-N 3.3Å; C134-H136 PolarHBondContact O-N 2.93Å; H136-V138 VanDerWaalsContact C-N 3.32Å; H136-R168 PolarHBondContact O-NH2 2.9Å
137G98.2Very high98.2Very high0 Ų011.4 Ų11.40%06%0.057CC..SBendtrans74.818.6-179.300000115.1S29 C134 R168S29-G137 VanDerWaalsContact C-CA 3.49Å; S29-G137 WeakPolarHBondContact O-CA 3.43Å; C134-G137 PolarHBondContact SG-N 2.8Å; G137-R168 WeakPolarHBondContact O-CD 3.28Å; G137-R168 PolarHBondContact O-NE 3.39Å
138V98.2Very high98.2Very high0 Ų07.8 Ų7.80%04%0.039CC..SBendtrans-113.3-81.9-176.4-176.50000109.3Y14 H136 G142 F164 R168 H170 K171Y14-V138 HydrophobicContact CD1-CG2 3.54Å; Y14-V138 HydrophobicContact CE1-CB 4.42Å; Y14-V138 HydrophobicContact CE1-CG2 3.61Å; H136-V138 VanDerWaalsContact C-N 3.32Å; V138-G142 WeakPolarHBondContact O-CA 3.39Å; V138-G142 PolarHBondContact O-N 3.42Å; V138-F164 WeakPolarHBondContact O-CZ 3.4Å; V138-R168 HydrophobicContact CG2-CG 4.41Å; V138-H170 HydrophobicContact CG1-CB 4.28Å; V138-H170 HydrophobicContact CG2-CB 3.63Å; V138-K171 WeakPolarHBondContact CG1-O 3.44Å
139N97.8Very high98.2Very high17 Ų177.5 Ų7.59%0.0914%0.037CC..Hα-helixtrans-63.6-62.7-168.1-62.9-63.7000114.7Y143 F172 D173 R174 L177N139-Y143 VanDerWaalsContact O-CB 3.23Å; N139-Y143 WeakPolarHBondContact O-CB 3.32Å; N139-Y143 PolarHBondContact O-N 3.39Å; N139-F172 WeakPolarHBondContact O-CE1 3.45Å; N139-D173 PolarHBondContact ND2-OD1 3.32Å; N139-D173 PolarHBondContact ND2-OD2 3.2Å; N139-D173 PolarHBondContact OD1-N 3.43Å; N139-D173 PolarHBondContact OD1-OD1 3.06Å; N139-R174 HydrophobicContact CB-CB 4.49Å; N139-R174 HydrophobicContact CB-CG 4.04Å; N139-R174 PolarHBondContact OD1-N 3.28Å; N139-L177 HydrophobicContact CB-CD1 3.72Å
140R97.8Very high98.1Very high22 Ų227.6 Ų7.68%0.0834%0.038CC..Hα-helixtrans-66.8-44.5-178.4-66.6-57.3-163.2-163.7-0.3112L70 T94 P95 S99 C134 G142 Y143 F144L70-R140 HydrophobicContact CD1-CB 4.36Å; T94-R140 HydrophobicContact CG2-CG 4.18Å; P95-R140 VanDerWaalsContact O-CZ 3.25Å; P95-R140 PolarHBondContact O-NE 2.74Å; P95-R140 PolarHBondContact O-NH2 2.72Å; S99-R140 VanDerWaalsContact O-CZ 3.24Å; S99-R140 PolarHBondContact O-NH1 3.34Å; S99-R140 PolarHBondContact O-NH2 2.81Å; C134-R140 HydrophobicContact CB-CB 3.81Å; R140-G142 PolarHBondContact O-N 2.75Å; R140-Y143 PolarHBondContact O-N 3.42Å; R140-F144 VanDerWaalsContact O-CD2 3.31Å; R140-F144 WeakPolarHBondContact O-CD2 3.47Å; R140-F144 PolarHBondContact O-N 2.64Å; R140-F144 VanDerWaalsContact O-N 3.07Å
141A98.4Very high97.9Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-58.5-51178.400000111.4L70 V132 Y143 F144 I145L70-A141 HydrophobicContact CD1-CB 4.37Å; V132-A141 HydrophobicContact CG1-CB 4.13Å; A141-Y143 VanDerWaalsContact C-N 3.35Å; A141-Y143 PolarHBondContact O-N 3.41Å; A141-F144 PolarHBondContact O-N 3.01Å; A141-I145 WeakPolarHBondContact O-CB 3.48Å; A141-I145 WeakPolarHBondContact O-CD1 3.47Å; A141-I145 WeakPolarHBondContact O-CG1 3.29Å; A141-I145 PolarHBondContact O-N 3.27Å
142G98.5Very high97.6Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-61.7-41176.200000112.9V138 R140 F144 I145 C146 F172V138-G142 WeakPolarHBondContact O-CA 3.39Å; V138-G142 PolarHBondContact O-N 3.42Å; R140-G142 PolarHBondContact O-N 2.75Å; G142-F144 PolarHBondContact O-N 3.18Å; G142-I145 PolarHBondContact O-N 3.42Å; G142-C146 WeakPolarHBondContact O-CB 3.42Å; G142-C146 PolarHBondContact O-N 3.46Å; G142-C146 PolarHBondContact O-SG 3.13Å; G142-F172 VanDerWaalsContact C-CZ 3.44Å
143Y98.4Very high97.4Very high0 Ų012.9 Ų12.90%07%0.066CC..Hα-helixtrans-57.8-51.3177.6176.3-92000112.3V100 P101 R106 N139 R140 A141 K147 L177 D180 I181V100-Y143 HydrophobicContact CB-CE2 4.48Å; V100-Y143 HydrophobicContact CG1-CE2 4.26Å; P101-Y143 HydrophobicContact CB-CE1 4.22Å; P101-Y143 HydrophobicContact CG-CD1 3.57Å; P101-Y143 HydrophobicContact CG-CE1 3.58Å; R106-Y143 WeakPolarHBondContact CD-OH 3.46Å; R106-Y143 HydrophobicContact CG-CE1 4.22Å; N139-Y143 VanDerWaalsContact O-CB 3.23Å; N139-Y143 WeakPolarHBondContact O-CB 3.32Å; N139-Y143 PolarHBondContact O-N 3.39Å; R140-Y143 PolarHBondContact O-N 3.42Å; A141-Y143 VanDerWaalsContact C-N 3.35Å; A141-Y143 PolarHBondContact O-N 3.41Å; Y143-K147 HydrophobicContact CE1-CB 4.47Å; Y143-K147 HydrophobicContact CE2-CD 4.43Å; Y143-K147 WeakPolarHBondContact O-CB 3.39Å; Y143-K147 PolarHBondContact O-N 3.19Å; Y143-L177 HydrophobicContact CD2-CB 3.96Å; Y143-L177 HydrophobicContact CD2-CD2 3.69Å; Y143-L177 HydrophobicContact CD2-CG 4.35Å; Y143-L177 HydrophobicContact CE2-CD2 4.19Å; Y143-L177 HydrophobicContact CG-CD2 3.98Å; Y143-D180 HydrophobicContact CE2-CB 4.16Å; Y143-D180 WeakPolarHBondContact CE2-OD2 3.18Å; Y143-D180 PolarHBondContact OH-OD2 3.27Å; Y143-I181 HydrophobicContact CD2-CD1 4.13Å; Y143-I181 HydrophobicContact CD2-CG1 3.94Å; Y143-I181 HydrophobicContact CE2-CG1 4.25Å
144F98.7Very high97.2Very high3 Ų315.3 Ų15.31%0.0139%0.091CC..Hα-helixtrans-63.6-44.9179.9-84.3-85.1000112.2L70 T94 P101 L105 R106 F109 R140 A141 G142 Y148L70-F144 HydrophobicContact CD1-CB 4.3Å; L70-F144 HydrophobicContact CD1-CD2 3.64Å; L70-F144 HydrophobicContact CD1-CE2 4.29Å; L70-F144 HydrophobicContact CD1-CG 4.22Å; L70-F144 HydrophobicContact CD2-CD2 3.9Å; L70-F144 HydrophobicContact CD2-CE2 3.97Å; L70-F144 HydrophobicContact CD2-CG 4.27Å; L70-F144 HydrophobicContact CD2-CZ 4.4Å; L70-F144 HydrophobicContact CG-CD2 4.38Å; T94-F144 HydrophobicContact CG2-CE2 3.77Å; T94-F144 HydrophobicContact CG2-CZ 4.25Å; T94-F144 WeakPolarHBondContact OG1-CE2 3.24Å; P101-F144 HydrophobicContact CB-CE1 4.47Å; P101-F144 HydrophobicContact CB-CE2 3.92Å; P101-F144 HydrophobicContact CB-CZ 3.61Å; P101-F144 HydrophobicContact CG-CD2 4.42Å; P101-F144 HydrophobicContact CG-CE2 3.62Å; P101-F144 HydrophobicContact CG-CZ 3.87Å; L105-F144 HydrophobicContact CB-CE1 4.18Å; L105-F144 HydrophobicContact CB-CZ 3.92Å; L105-F144 WeakPolarHBondContact O-CE1 3.31Å; R106-F144 HydrophobicContact CG-CE1 4.13Å; F109-F144 HydrophobicContact CB-CD1 3.5Å; F109-F144 VanDerWaalsContact CB-CD1 3.5Å; F109-F144 HydrophobicContact CB-CE1 3.89Å; F109-F144 HydrophobicContact CD1-CB 4.18Å; F109-F144 HydrophobicContact CD1-CD1 4.16Å; F109-F144 HydrophobicContact CD2-CB 3.86Å; F109-F144 AromaticContact CD2-CD1 3.83Å; F109-F144 HydrophobicContact CD2-CD1 3.83Å; F109-F144 HydrophobicContact CD2-CG 4.06Å; F109-F144 HydrophobicContact CE1-CB 4.13Å; F109-F144 HydrophobicContact CE2-CB 3.81Å; F109-F144 HydrophobicContact CE2-CG 4.47Å; F109-F144 HydrophobicContact CG-CB 4.05Å; F109-F144 AromaticContact CG-CD1 3.56Å; F109-F144 HydrophobicContact CG-CD1 3.56Å; F109-F144 HydrophobicContact CG-CE1 4.4Å; F109-F144 HydrophobicContact CG-CG 4.17Å; F109-F144 HydrophobicContact CZ-CB 3.95Å; R140-F144 VanDerWaalsContact O-CD2 3.31Å; R140-F144 WeakPolarHBondContact O-CD2 3.47Å; R140-F144 PolarHBondContact O-N 2.64Å; R140-F144 VanDerWaalsContact O-N 3.07Å; A141-F144 PolarHBondContact O-N 3.01Å; G142-F144 PolarHBondContact O-N 3.18Å; F144-Y148 WeakPolarHBondContact O-CB 3.36Å; F144-Y148 PolarHBondContact O-N 2.92Å
145I98.8Very high97Very high0 Ų017.9 Ų17.90%010%0.1CC..Hα-helixtrans-61.9-55.5179-69.9163.5000110.7I21 F26 A28 F109 V132 A141 G142 K147 Y148 L149 F164I21-I145 HydrophobicContact CD1-CG2 3.6Å; F26-I145 HydrophobicContact CB-CD1 4.14Å; F26-I145 HydrophobicContact CB-CG1 4.28Å; F26-I145 HydrophobicContact CB-CG2 4.11Å; F26-I145 HydrophobicContact CD1-CG1 4.04Å; F26-I145 HydrophobicContact CD2-CG2 3.76Å; F26-I145 HydrophobicContact CE1-CG1 4.49Å; F26-I145 HydrophobicContact CE2-CG2 4.31Å; F26-I145 HydrophobicContact CG-CD1 4.46Å; F26-I145 HydrophobicContact CG-CG1 4.06Å; F26-I145 HydrophobicContact CG-CG2 3.94Å; A28-I145 HydrophobicContact CB-CD1 4.19Å; F109-I145 HydrophobicContact CZ-CG1 4.24Å; V132-I145 HydrophobicContact CB-CD1 3.81Å; V132-I145 HydrophobicContact CB-CG1 4.22Å; V132-I145 HydrophobicContact CG1-CD1 4.25Å; V132-I145 HydrophobicContact CG1-CG1 4.38Å; V132-I145 HydrophobicContact CG2-CD1 4.01Å; V132-I145 HydrophobicContact CG2-CG1 4.03Å; A141-I145 WeakPolarHBondContact O-CB 3.48Å; A141-I145 WeakPolarHBondContact O-CD1 3.47Å; A141-I145 WeakPolarHBondContact O-CG1 3.29Å; A141-I145 PolarHBondContact O-N 3.27Å; G142-I145 PolarHBondContact O-N 3.42Å; I145-K147 PolarHBondContact O-N 3.04Å; I145-Y148 PolarHBondContact O-N 3.2Å; I145-L149 HydrophobicContact CG2-CD1 3.77Å; I145-L149 HydrophobicContact CG2-CG 4.46Å; I145-L149 WeakPolarHBondContact O-CG 3.33Å; I145-L149 PolarHBondContact O-N 3.18Å; I145-F164 HydrophobicContact CD1-CD2 4.5Å; I145-F164 HydrophobicContact CD1-CE2 4.16Å
146C98.5Very high97Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-63.6-45-177-64.70000111.5G142 Y148 L149 V150 V160 F164 I181G142-C146 WeakPolarHBondContact O-CB 3.42Å; G142-C146 PolarHBondContact O-N 3.46Å; G142-C146 PolarHBondContact O-SG 3.13Å; C146-Y148 VanDerWaalsContact C-N 3.32Å; C146-Y148 PolarHBondContact O-N 3.08Å; C146-L149 PolarHBondContact O-N 3.29Å; C146-V150 WeakPolarHBondContact O-CG2 3.23Å; C146-V150 PolarHBondContact O-N 2.91Å; C146-V160 HydrophobicContact CB-CG1 3.89Å; C146-V160 HydrophobicContact CB-CG2 4.25Å; C146-F164 VanDerWaalsContact SG-CB 3.56Å; C146-I181 HydrophobicContact CB-CD1 3.87Å; C146-I181 HydrophobicContact CB-CG1 4.28Å; C146-I181 HydrophobicContact CB-CG2 3.98Å
147K97.2Very high96.9Very high13 Ų1319.5 Ų19.56%0.05711%0.111CC..Hα-helixtrans-62.2-41179.4-165.378.1-179.3-159.20111.3Y143 I145 Q151 D180 A184Y143-K147 HydrophobicContact CE1-CB 4.47Å; Y143-K147 HydrophobicContact CE2-CD 4.43Å; Y143-K147 WeakPolarHBondContact O-CB 3.39Å; Y143-K147 PolarHBondContact O-N 3.19Å; I145-K147 PolarHBondContact O-N 3.04Å; K147-Q151 VanDerWaalsContact CE-OE1 3.31Å; K147-Q151 HydrophobicContact CG-CG 4.38Å; K147-Q151 WeakPolarHBondContact O-CB 3.49Å; K147-Q151 WeakPolarHBondContact O-CG 3.44Å; K147-Q151 PolarHBondContact O-N 3.18Å; K147-D180 PolarHBondContact NZ-O 3.4Å; K147-D180 IonicContact NZ-OD1 3.06Å; K147-D180 IonicContact NZ-OD2 2.73Å; K147-D180 PolarHBondContact NZ-OD2 2.89Å; K147-A184 HydrophobicContact CD-CB 4.05Å
148Y97.7Very high96.9Very high14 Ų1426.3 Ų26.36%0.05514%0.142CC..Hα-helixtrans-62.5-47.9174.3168.5-91.4000111.9F26 F109 A110 V113 F144 I145 C146 V150 Q151 C152 E153F26-Y148 AromaticContact CE2-CD1 3.73Å; F26-Y148 HydrophobicContact CE2-CD1 3.73Å; F26-Y148 AromaticContact CE2-CE1 3.88Å; F26-Y148 HydrophobicContact CE2-CE1 3.88Å; F26-Y148 AromaticContact CZ-CD1 3.58Å; F26-Y148 HydrophobicContact CZ-CD1 3.58Å; F26-Y148 AromaticContact CZ-CE1 3.74Å; F26-Y148 HydrophobicContact CZ-CE1 3.74Å; F26-Y148 HydrophobicContact CZ-CG 4.46Å; F109-Y148 HydrophobicContact CD1-CG 4.42Å; F109-Y148 HydrophobicContact CE1-CG 4.12Å; A110-Y148 HydrophobicContact CB-CD2 3.86Å; A110-Y148 HydrophobicContact CB-CE2 4.21Å; V113-Y148 HydrophobicContact CB-CD2 4.43Å; V113-Y148 HydrophobicContact CB-CE1 4.32Å; V113-Y148 HydrophobicContact CB-CE2 3.86Å; V113-Y148 HydrophobicContact CG1-CD1 4.4Å; V113-Y148 HydrophobicContact CG1-CE1 3.61Å; V113-Y148 HydrophobicContact CG1-CE2 3.94Å; V113-Y148 WeakPolarHBondContact CG1-OH 3.48Å; F144-Y148 WeakPolarHBondContact O-CB 3.36Å; F144-Y148 PolarHBondContact O-N 2.92Å; I145-Y148 PolarHBondContact O-N 3.2Å; C146-Y148 VanDerWaalsContact C-N 3.32Å; C146-Y148 PolarHBondContact O-N 3.08Å; Y148-V150 VanDerWaalsContact C-N 3.32Å; Y148-V150 PolarHBondContact O-N 3.02Å; Y148-Q151 PolarHBondContact O-N 2.89Å; Y148-C152 HydrophobicContact CD2-CB 3.83Å; Y148-C152 HydrophobicContact CE2-CB 3.6Å; Y148-C152 HydrophobicContact CG-CB 4.42Å; Y148-C152 WeakPolarHBondContact O-CA 3.38Å; Y148-C152 VanDerWaalsContact O-CB 3.24Å; Y148-C152 WeakPolarHBondContact O-CB 3.4Å; Y148-C152 PolarHBondContact O-N 3.41Å; Y148-E153 HydrophobicContact CE1-CG 3.86Å; Y148-E153 WeakPolarHBondContact CE1-OE1 3.26Å; Y148-E153 PolarHBondContact OH-OE1 3.44Å
149L97.2Very high96.8Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-62.6-37.5-179.4-72.7171.4000112.5T24 F26 I145 C146 E153 G154 W155 V160T24-L149 HydrophobicContact CG2-CD1 3.99Å; T24-L149 HydrophobicContact CG2-CD2 3.72Å; F26-L149 HydrophobicContact CD2-CD1 4.28Å; F26-L149 HydrophobicContact CD2-CD2 4.28Å; F26-L149 HydrophobicContact CD2-CG 4.38Å; F26-L149 HydrophobicContact CE2-CD1 4.45Å; F26-L149 HydrophobicContact CE2-CD2 3.87Å; F26-L149 HydrophobicContact CE2-CG 4.06Å; I145-L149 HydrophobicContact CG2-CD1 3.77Å; I145-L149 HydrophobicContact CG2-CG 4.46Å; I145-L149 WeakPolarHBondContact O-CG 3.33Å; I145-L149 PolarHBondContact O-N 3.18Å; C146-L149 PolarHBondContact O-N 3.29Å; L149-E153 HydrophobicContact CD2-CB 4.48Å; L149-E153 HydrophobicContact CD2-CG 4.37Å; L149-E153 CarbonylContact O-C 3.48Å; L149-E153 VanDerWaalsContact O-C 3.3Å; L149-E153 WeakPolarHBondContact O-CA 3.18Å; L149-E153 WeakPolarHBondContact O-CB 3.48Å; L149-E153 PolarHBondContact O-N 3.05Å; L149-G154 PolarHBondContact O-N 2.78Å; L149-G154 VanDerWaalsContact O-N 3.16Å; L149-W155 HydrophobicContact CB-CB 4.24Å; L149-W155 HydrophobicContact CB-CD2 4.32Å; L149-W155 HydrophobicContact CB-CG 4.05Å; L149-W155 HydrophobicContact CD2-CD2 4.46Å; L149-W155 WeakPolarHBondContact O-CB 3.45Å; L149-W155 PolarHBondContact O-N 3.49Å; L149-W155 VanDerWaalsContact O-N 3.08Å; L149-V160 HydrophobicContact CB-CG2 3.8Å; L149-V160 HydrophobicContact CD1-CG2 3.46Å; L149-V160 VanDerWaalsContact CD1-CG2 3.46Å; L149-V160 HydrophobicContact CG-CG2 4.28Å
150V96.2Very high96.8Very high1 Ų128.7 Ų28.71%0.00615%0.153CC..Hα-helixtrans-68.9-55.1174.21790000110.9C146 Y148 G154 A157 V160 I181 A184 P186C146-V150 WeakPolarHBondContact O-CG2 3.23Å; C146-V150 PolarHBondContact O-N 2.91Å; Y148-V150 VanDerWaalsContact C-N 3.32Å; Y148-V150 PolarHBondContact O-N 3.02Å; V150-G154 WeakPolarHBondContact O-CA 3.47Å; V150-G154 PolarHBondContact O-N 3.16Å; V150-A157 HydrophobicContact CG2-CB 4.03Å; V150-V160 HydrophobicContact CG2-CG1 3.68Å; V150-I181 HydrophobicContact CG2-CG2 4.35Å; V150-A184 HydrophobicContact CB-CB 4.3Å; V150-A184 HydrophobicContact CG1-CB 3.7Å; V150-P186 HydrophobicContact CG1-CG 4.11Å
151Q94.4Very high96.9Very high15 Ų1528.3 Ų28.37%0.0715%0.152CC..Hα-helixtrans-75.2-38-170.2-63.9-165.6-76.600113.4K147 Y148 A184 L191K147-Q151 VanDerWaalsContact CE-OE1 3.31Å; K147-Q151 HydrophobicContact CG-CG 4.38Å; K147-Q151 WeakPolarHBondContact O-CB 3.49Å; K147-Q151 WeakPolarHBondContact O-CG 3.44Å; K147-Q151 PolarHBondContact O-N 3.18Å; Y148-Q151 PolarHBondContact O-N 2.89Å; Q151-A184 HydrophobicContact CG-CB 4.2Å; Q151-L191 HydrophobicContact CB-CD1 4.27Å
152C93.8Very high96.9Very high40 Ų4033.6 Ų33.627%0.2717%0.172SC..Hα-helixtrans-98.9-22.3-175.4-65.10000113.7Y148 L191Y148-C152 HydrophobicContact CD2-CB 3.83Å; Y148-C152 HydrophobicContact CE2-CB 3.6Å; Y148-C152 HydrophobicContact CG-CB 4.42Å; Y148-C152 WeakPolarHBondContact O-CA 3.38Å; Y148-C152 VanDerWaalsContact O-CB 3.24Å; Y148-C152 WeakPolarHBondContact O-CB 3.4Å; Y148-C152 PolarHBondContact O-N 3.41Å; C152-L191 WeakPolarHBondContact SG-CD1 3.41Å
153E93.8Very high96.9Very high56 Ų5635.3 Ų35.326%0.26218%0.18SC..Hα-helixtrans-122.82.4-173.5-48.8-158.917200113.3K117 Y148 L149 W155K117-E153 WeakPolarHBondContact CE-OE1 3.35Å; K117-E153 IonicContact NZ-OE1 3.6Å; K117-E153 PolarHBondContact NZ-OE1 3.32Å; K117-E153 IonicContact NZ-OE2 3.17Å; K117-E153 PolarHBondContact NZ-OE2 3.36Å; Y148-E153 HydrophobicContact CE1-CG 3.86Å; Y148-E153 WeakPolarHBondContact CE1-OE1 3.26Å; Y148-E153 PolarHBondContact OH-OE1 3.44Å; L149-E153 HydrophobicContact CD2-CB 4.48Å; L149-E153 HydrophobicContact CD2-CG 4.37Å; L149-E153 CarbonylContact O-C 3.48Å; L149-E153 VanDerWaalsContact O-C 3.3Å; L149-E153 WeakPolarHBondContact O-CA 3.18Å; L149-E153 WeakPolarHBondContact O-CB 3.48Å; L149-E153 PolarHBondContact O-N 3.05Å; E153-W155 VanDerWaalsContact C-N 3.27Å; E153-W155 PolarHBondContact O-N 3.5Å
154G93.9Very high96.9Very high51 Ų5135.4 Ų35.453%0.52618%0.181SC..  trans69.620.8172.800000114.5L149 V150L149-G154 PolarHBondContact O-N 2.78Å; L149-G154 VanDerWaalsContact O-N 3.16Å; V150-G154 WeakPolarHBondContact O-CA 3.47Å; V150-G154 PolarHBondContact O-N 3.16Å
155W95.7Very high96.9Very high65 Ų6537.3 Ų37.325%0.24619%0.19CC..  trans-68.4147.9177.4-74.646.9000111.1I21 P22 T24 L149 E153 A157 V160I21-W155 HydrophobicContact CG2-CH2 4.47Å; I21-W155 HydrophobicContact CG2-CZ3 4.46Å; P22-W155 WeakPolarHBondContact O-CH2 3.5Å; T24-W155 HydrophobicContact CG2-CH2 3.59Å; T24-W155 HydrophobicContact CG2-CZ2 3.5Å; T24-W155 HydrophobicContact CG2-CZ3 4.47Å; L149-W155 HydrophobicContact CB-CB 4.24Å; L149-W155 HydrophobicContact CB-CD2 4.32Å; L149-W155 HydrophobicContact CB-CG 4.05Å; L149-W155 HydrophobicContact CD2-CD2 4.46Å; L149-W155 WeakPolarHBondContact O-CB 3.45Å; L149-W155 PolarHBondContact O-N 3.49Å; L149-W155 VanDerWaalsContact O-N 3.08Å; E153-W155 VanDerWaalsContact C-N 3.27Å; E153-W155 PolarHBondContact O-N 3.5Å; W155-A157 PolarHBondContact O-N 2.87Å; W155-V160 HydrophobicContact CB-CB 4.38Å; W155-V160 HydrophobicContact CE3-CB 4.07Å; W155-V160 HydrophobicContact CE3-CG2 3.91Å
156N95.7Very high96.9Very high100 Ų10042.6 Ų42.654%0.53522%0.216SC..  trans-66.5133.3169.7175.2-80.4000110.4E158 E159 V160N156-E158 PolarHBondContact O-N 3.32Å; N156-E158 WeakPolarHBondContact OD1-CB 3.41Å; N156-E158 PolarHBondContact OD1-N 2.77Å; N156-E159 HydrophobicContact CB-CB 4.15Å; N156-E159 PolarHBondContact O-N 3.35Å; N156-E159 PolarHBondContact OD1-N 2.97Å; N156-V160 PolarHBondContact O-N 3.22Å
157A96.7Very high96.9Very high13 Ų1343.1 Ų43.111%0.10722%0.219CC..Hα-helixtrans-65.1-38.8-173.800000114V150 W155 V160 I161 I181 L182V150-A157 HydrophobicContact CG2-CB 4.03Å; W155-A157 PolarHBondContact O-N 2.87Å; A157-V160 VanDerWaalsContact O-CG1 3.31Å; A157-V160 WeakPolarHBondContact O-CG1 3.44Å; A157-I161 WeakPolarHBondContact O-CD1 3.16Å; A157-I161 WeakPolarHBondContact O-CG1 3.26Å; A157-I161 PolarHBondContact O-N 3.49Å; A157-I181 HydrophobicContact CB-CG2 4.42Å; A157-L182 HydrophobicContact CB-CD2 4.16Å
158E97.5Very high97Very high142 Ų14242.5 Ų42.566%0.66422%0.217SC*.Hα-helixtrans-70-44.8178.1-65.3-179.5162.300110.7N156 I161 R162 L182N156-E158 PolarHBondContact O-N 3.32Å; N156-E158 WeakPolarHBondContact OD1-CB 3.41Å; N156-E158 PolarHBondContact OD1-N 2.77Å; E158-I161 PolarHBondContact O-N 3.39Å; E158-R162 PolarHBondContact O-N 3.37Å; E158-L182 HydrophobicContact CB-CD2 4.45Å; E158-L182 HydrophobicContact CG-CD2 3.59Å
159E97.1Very high97Very high68 Ų6845.5 Ų45.532%0.31824%0.24SC..Hα-helixtrans-65.3-41-179.9179.956.9-166.300111.9N156 I161 R162 Q163N156-E159 HydrophobicContact CB-CB 4.15Å; N156-E159 PolarHBondContact O-N 3.35Å; N156-E159 PolarHBondContact OD1-N 2.97Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 2.84Å; E159-R162 WeakPolarHBondContact O-CB 3.47Å; E159-R162 PolarHBondContact O-N 2.99Å; E159-R162 IonicContact OE1-CZ 2.72Å; E159-R162 IonicContact OE1-NE 3.06Å; E159-R162 IonicContact OE1-NH2 3.88Å; E159-R162 PolarHBondContact OE1-NH2 2.86Å; E159-R162 IonicContact OE2-CZ 3.82Å; E159-R162 IonicContact OE2-NE 3.71Å; E159-R162 PolarHBondContact OE2-NE 2.67Å; E159-R162 IonicContact OE2-NH2 3.4Å; E159-R162 PolarHBondContact OE2-NH2 3Å; E159-Q163 HydrophobicContact CG-CG 4.27Å; E159-Q163 WeakPolarHBondContact O-CB 3.34Å; E159-Q163 VanDerWaalsContact O-CG 3.24Å; E159-Q163 WeakPolarHBondContact O-CG 3.14Å; E159-Q163 PolarHBondContact O-N 2.65Å; E159-Q163 VanDerWaalsContact OE1-CG 3.3Å; E159-Q163 WeakPolarHBondContact OE1-CG 3.16Å; E159-Q163 PolarHBondContact OE1-NE2 3.28Å
160V97.7Very high97.1Very high0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-66.3-36.8178.576.30000112.2C146 L149 V150 W155 N156 A157 Q163 F164 I181C146-V160 HydrophobicContact CB-CG1 3.89Å; C146-V160 HydrophobicContact CB-CG2 4.25Å; L149-V160 HydrophobicContact CB-CG2 3.8Å; L149-V160 HydrophobicContact CD1-CG2 3.46Å; L149-V160 VanDerWaalsContact CD1-CG2 3.46Å; L149-V160 HydrophobicContact CG-CG2 4.28Å; V150-V160 HydrophobicContact CG2-CG1 3.68Å; W155-V160 HydrophobicContact CB-CB 4.38Å; W155-V160 HydrophobicContact CE3-CB 4.07Å; W155-V160 HydrophobicContact CE3-CG2 3.91Å; N156-V160 PolarHBondContact O-N 3.22Å; A157-V160 VanDerWaalsContact O-CG1 3.31Å; A157-V160 WeakPolarHBondContact O-CG1 3.44Å; V160-Q163 PolarHBondContact O-N 2.8Å; V160-F164 WeakPolarHBondContact O-CB 3.4Å; V160-F164 PolarHBondContact O-N 3.41Å; V160-I181 HydrophobicContact CG1-CG2 4.4Å
161I98.6Very high97.2Very high14 Ų1455 Ų557%0.07228%0.282CS..Hα-helixtrans-63.9-47.6175.2-69.4166.2000109.1A157 E158 E159 Q163 F164 E165 F172 V178 I181 L182A157-I161 WeakPolarHBondContact O-CD1 3.16Å; A157-I161 WeakPolarHBondContact O-CG1 3.26Å; A157-I161 PolarHBondContact O-N 3.49Å; E158-I161 PolarHBondContact O-N 3.39Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 2.84Å; I161-Q163 PolarHBondContact O-N 3.43Å; I161-F164 PolarHBondContact O-N 2.87Å; I161-E165 HydrophobicContact CG2-CG 4.45Å; I161-E165 WeakPolarHBondContact O-CG 3.5Å; I161-E165 PolarHBondContact O-N 3.35Å; I161-F172 HydrophobicContact CG2-CD2 4.22Å; I161-F172 HydrophobicContact CG2-CE2 4.28Å; I161-V178 HydrophobicContact CD1-CG1 3.88Å; I161-I181 HydrophobicContact CD1-CB 3.98Å; I161-I181 HydrophobicContact CD1-CD1 4.48Å; I161-I181 HydrophobicContact CD1-CG2 3.71Å; I161-I181 HydrophobicContact CG1-CB 4.45Å; I161-I181 HydrophobicContact CG1-CD1 4.35Å; I161-I181 HydrophobicContact CG1-CG2 3.85Å; I161-L182 HydrophobicContact CD1-CD2 3.76Å; I161-L182 HydrophobicContact CD1-CG 3.86Å
162R98.5Very high97.3Very high111 Ų11154.8 Ų54.842%0.41928%0.28SS..Hα-helixtrans-57.4-48.7177.3-169.3-175.275.384.40.3111.9E158 E159 E165 M166E158-R162 PolarHBondContact O-N 3.37Å; E159-R162 WeakPolarHBondContact O-CB 3.47Å; E159-R162 PolarHBondContact O-N 2.99Å; E159-R162 IonicContact OE1-CZ 2.72Å; E159-R162 IonicContact OE1-NE 3.06Å; E159-R162 IonicContact OE1-NH2 3.88Å; E159-R162 PolarHBondContact OE1-NH2 2.86Å; E159-R162 IonicContact OE2-CZ 3.82Å; E159-R162 IonicContact OE2-NE 3.71Å; E159-R162 PolarHBondContact OE2-NE 2.67Å; E159-R162 IonicContact OE2-NH2 3.4Å; E159-R162 PolarHBondContact OE2-NH2 3Å; R162-E165 PolarHBondContact O-N 3.44Å; R162-M166 HydrophobicContact CG-SD 4.24Å; R162-M166 PolarHBondContact NH1-SD 2.83Å; R162-M166 WeakPolarHBondContact O-CB 3.48Å; R162-M166 VanDerWaalsContact O-CG 3.31Å; R162-M166 WeakPolarHBondContact O-CG 3.46Å; R162-M166 PolarHBondContact O-N 3.48Å
163Q98.5Very high97.4Very high36 Ų3655.8 Ų55.817%0.16828%0.283CS..Hα-helixtrans-62.7-44178.9-71.2-71.8-15.300111.6I21 E159 V160 I161 E165 M166 S167I21-Q163 HydrophobicContact CG2-CB 4.25Å; E159-Q163 HydrophobicContact CG-CG 4.27Å; E159-Q163 WeakPolarHBondContact O-CB 3.34Å; E159-Q163 VanDerWaalsContact O-CG 3.24Å; E159-Q163 WeakPolarHBondContact O-CG 3.14Å; E159-Q163 PolarHBondContact O-N 2.65Å; E159-Q163 VanDerWaalsContact OE1-CG 3.3Å; E159-Q163 WeakPolarHBondContact OE1-CG 3.16Å; E159-Q163 PolarHBondContact OE1-NE2 3.28Å; V160-Q163 PolarHBondContact O-N 2.8Å; I161-Q163 PolarHBondContact O-N 3.43Å; Q163-E165 PolarHBondContact O-N 3.14Å; Q163-M166 PolarHBondContact O-N 3.15Å; Q163-S167 WeakPolarHBondContact O-CB 3.38Å; Q163-S167 PolarHBondContact O-N 3.21Å; Q163-S167 PolarHBondContact O-OG 3.15Å
164F98.8Very high97.5Very high1 Ų159.3 Ų59.30%0.00429%0.294CS..Hα-helixtrans-58.8-49.7175.2173.9-91.1000111.7I21 A28 V138 I145 C146 V160 I161 M166 S167 R168 F172I21-F164 HydrophobicContact CD1-CB 4.33Å; I21-F164 HydrophobicContact CD1-CD2 3.92Å; A28-F164 HydrophobicContact CB-CE2 3.6Å; A28-F164 HydrophobicContact CB-CZ 4.13Å; V138-F164 WeakPolarHBondContact O-CZ 3.4Å; I145-F164 HydrophobicContact CD1-CD2 4.5Å; I145-F164 HydrophobicContact CD1-CE2 4.16Å; C146-F164 VanDerWaalsContact SG-CB 3.56Å; V160-F164 WeakPolarHBondContact O-CB 3.4Å; V160-F164 PolarHBondContact O-N 3.41Å; I161-F164 PolarHBondContact O-N 2.87Å; F164-M166 VanDerWaalsContact C-N 3.32Å; F164-M166 PolarHBondContact O-N 3.32Å; F164-S167 PolarHBondContact O-N 3.39Å; F164-R168 HydrophobicContact CE1-CB 4.12Å; F164-R168 HydrophobicContact CE1-CG 4.31Å; F164-R168 HydrophobicContact CE2-CB 4.44Å; F164-R168 HydrophobicContact CZ-CB 4.04Å; F164-R168 HydrophobicContact CZ-CG 4.07Å; F164-R168 WeakPolarHBondContact O-CB 3.48Å; F164-R168 PolarHBondContact O-N 3.47Å; F164-F172 HydrophobicContact CD1-CD2 4.2Å; F164-F172 AromaticContact CD1-CE2 3.46Å; F164-F172 HydrophobicContact CD1-CE2 3.46Å; F164-F172 VanDerWaalsContact CD1-CE2 3.46Å; F164-F172 AromaticContact CD1-CZ 3.95Å; F164-F172 HydrophobicContact CD1-CZ 3.95Å; F164-F172 HydrophobicContact CE1-CD2 4.45Å; F164-F172 AromaticContact CE1-CE2 3.87Å; F164-F172 HydrophobicContact CE1-CE2 3.87Å; F164-F172 HydrophobicContact CE1-CZ 4.05Å; F164-F172 HydrophobicContact CG-CE2 4.3Å
165E98.7Very high97.6Very high44 Ų4462.3 Ų62.321%0.20629%0.294CS..Hα-helixtrans-63.8-38.1-178.4-68.5-170153.100112.1I161 R162 Q163 S169 H170 K171 F172I161-E165 HydrophobicContact CG2-CG 4.45Å; I161-E165 WeakPolarHBondContact O-CG 3.5Å; I161-E165 PolarHBondContact O-N 3.35Å; R162-E165 PolarHBondContact O-N 3.44Å; Q163-E165 PolarHBondContact O-N 3.14Å; E165-S169 WeakPolarHBondContact O-CA 3.23Å; E165-S169 PolarHBondContact O-N 3.05Å; E165-H170 PolarHBondContact O-N 2.7Å; E165-K171 VanDerWaalsContact OE1-CA 3.25Å; E165-K171 WeakPolarHBondContact OE1-CA 3.43Å; E165-K171 WeakPolarHBondContact OE1-CB 3.14Å; E165-F172 HydrophobicContact CG-CD2 4.05Å; E165-F172 PolarHBondContact OE1-N 3.15Å
166M98.6Very high97.7Very high110 Ų11062.3 Ų62.354%0.54230%0.295SS..Hα-helixtrans-64.2-54.7174.5-74.8-179.863.200111.6R162 Q163 F164 R168 S169R162-M166 HydrophobicContact CG-SD 4.24Å; R162-M166 PolarHBondContact NH1-SD 2.83Å; R162-M166 WeakPolarHBondContact O-CB 3.48Å; R162-M166 VanDerWaalsContact O-CG 3.31Å; R162-M166 WeakPolarHBondContact O-CG 3.46Å; R162-M166 PolarHBondContact O-N 3.48Å; Q163-M166 PolarHBondContact O-N 3.15Å; F164-M166 VanDerWaalsContact C-N 3.32Å; F164-M166 PolarHBondContact O-N 3.32Å; M166-R168 VanDerWaalsContact C-N 3.31Å; M166-R168 PolarHBondContact O-N 3.25Å; M166-S169 PolarHBondContact O-N 3.32Å; M166-S169 VanDerWaalsContact O-N 3.16Å
167S98.6Very high97.7Very high11 Ų1157.6 Ų57.68%0.07727%0.269CS..Hα-helixtrans-62.5-37.7179.3-65.60000112G18 D19 Q163 F164 S169G18-S167 CarbonylContact C-O 3.44Å; G18-S167 WeakPolarHBondContact CA-O 3.45Å; D19-S167 PolarHBondContact N-O 2.99Å; Q163-S167 WeakPolarHBondContact O-CB 3.38Å; Q163-S167 PolarHBondContact O-N 3.21Å; Q163-S167 PolarHBondContact O-OG 3.15Å; F164-S167 PolarHBondContact O-N 3.39Å; S167-S169 VanDerWaalsContact C-N 3.34Å
168R98.6Very high97.8Very high1 Ų157.7 Ų57.70%0.00427%0.269CS..Hα-helixtrans-76.3-24.1178.1-177.258-167.7100-5.5112.6T15 H136 G137 V138 F164 M166 H170T15-R168 PolarHBondContact O-NH1 3.14Å; T15-R168 PolarHBondContact O-NH2 2.97Å; T15-R168 PolarHBondContact OG1-NH1 2.81Å; H136-R168 PolarHBondContact O-NH2 2.9Å; G137-R168 WeakPolarHBondContact O-CD 3.28Å; G137-R168 PolarHBondContact O-NE 3.39Å; V138-R168 HydrophobicContact CG2-CG 4.41Å; F164-R168 HydrophobicContact CE1-CB 4.12Å; F164-R168 HydrophobicContact CE1-CG 4.31Å; F164-R168 HydrophobicContact CE2-CB 4.44Å; F164-R168 HydrophobicContact CZ-CB 4.04Å; F164-R168 HydrophobicContact CZ-CG 4.07Å; F164-R168 WeakPolarHBondContact O-CB 3.48Å; F164-R168 PolarHBondContact O-N 3.47Å; M166-R168 VanDerWaalsContact C-N 3.31Å; M166-R168 PolarHBondContact O-N 3.25Å; R168-H170 HydrophobicContact CG-CB 4.19Å; R168-H170 PolarHBondContact NH1-CD2 2.89Å; R168-H170 PolarHBondContact O-CD2 2.74Å; R168-H170 PolarHBondContact O-N 3.21Å
169S98.2Very high97.8Very high77 Ų7755.1 Ų55.154%0.53826%0.256SS..THydrogen-bonded Turntrans61.324.5-169.7-420000114.3E165 M166 S167E165-S169 WeakPolarHBondContact O-CA 3.23Å; E165-S169 PolarHBondContact O-N 3.05Å; M166-S169 PolarHBondContact O-N 3.32Å; M166-S169 VanDerWaalsContact O-N 3.16Å; S167-S169 VanDerWaalsContact C-N 3.34Å
170H98.6Very high97.8Very high40 Ų4053.6 Ų53.619%0.18525%0.25CS..SBendtrans-143.2139.4175.6-69-86000109.3Y14 T15 V138 E165 R168Y14-H170 AromaticContact CD1-CE1 3.99Å; Y14-H170 AromaticContact CD1-CG 3.96Å; Y14-H170 AromaticContact CD1-ND1 3.63Å; T15-H170 PolarHBondContact N-NE2 3.16Å; T15-H170 PolarHBondContact OG1-CD2 2.79Å; T15-H170 PolarHBondContact OG1-NE2 3.18Å; V138-H170 HydrophobicContact CG1-CB 4.28Å; V138-H170 HydrophobicContact CG2-CB 3.63Å; E165-H170 PolarHBondContact O-N 2.7Å; R168-H170 HydrophobicContact CG-CB 4.19Å; R168-H170 PolarHBondContact NH1-CD2 2.89Å; R168-H170 PolarHBondContact O-CD2 2.74Å; R168-H170 PolarHBondContact O-N 3.21Å
171K98.5Very high97.8Very high161 Ų16153.6 Ų53.670%0.725%0.25SS*.  trans-82.6152.5175.7-61.5-168.5176.3-174.70111.9V138 E165 D173V138-K171 WeakPolarHBondContact CG1-O 3.44Å; E165-K171 VanDerWaalsContact OE1-CA 3.25Å; E165-K171 WeakPolarHBondContact OE1-CA 3.43Å; E165-K171 WeakPolarHBondContact OE1-CB 3.14Å; K171-D173 PolarHBondContact O-N 2.8Å
172F98Very high97.7Very high10 Ų1056.7 Ų56.74%0.04427%0.267CS..  trans-57.8133.7167-79.3-92000110.4N139 G142 I161 F164 E165 V178 I181N139-F172 WeakPolarHBondContact O-CE1 3.45Å; G142-F172 VanDerWaalsContact C-CZ 3.44Å; I161-F172 HydrophobicContact CG2-CD2 4.22Å; I161-F172 HydrophobicContact CG2-CE2 4.28Å; F164-F172 HydrophobicContact CD1-CD2 4.2Å; F164-F172 AromaticContact CD1-CE2 3.46Å; F164-F172 HydrophobicContact CD1-CE2 3.46Å; F164-F172 VanDerWaalsContact CD1-CE2 3.46Å; F164-F172 AromaticContact CD1-CZ 3.95Å; F164-F172 HydrophobicContact CD1-CZ 3.95Å; F164-F172 HydrophobicContact CE1-CD2 4.45Å; F164-F172 AromaticContact CE1-CE2 3.87Å; F164-F172 HydrophobicContact CE1-CE2 3.87Å; F164-F172 HydrophobicContact CE1-CZ 4.05Å; F164-F172 HydrophobicContact CG-CE2 4.3Å; E165-F172 HydrophobicContact CG-CD2 4.05Å; E165-F172 PolarHBondContact OE1-N 3.15Å; F172-V178 HydrophobicContact CB-CG2 3.43Å; F172-V178 VanDerWaalsContact CB-CG2 3.43Å; F172-V178 HydrophobicContact CD1-CG2 4.15Å; F172-V178 HydrophobicContact CD2-CG2 4.14Å; F172-V178 HydrophobicContact CG-CG2 3.68Å; F172-I181 HydrophobicContact CE1-CD1 4.32Å; F172-I181 HydrophobicContact CZ-CD1 3.99Å
173D95.5Very high97.5Very high61 Ų6159.8 Ų59.833%0.32628%0.279SS..SBendtrans-106.4-0.1174.567.944.6000112.7Y14 N139 K171Y14-D173 PolarHBondContact OH-OD2 3.07Å; N139-D173 PolarHBondContact ND2-OD1 3.32Å; N139-D173 PolarHBondContact ND2-OD2 3.2Å; N139-D173 PolarHBondContact OD1-N 3.43Å; N139-D173 PolarHBondContact OD1-OD1 3.06Å; K171-D173 PolarHBondContact O-N 2.8Å
174R96.4Very high97Very high130 Ų13058.7 Ų58.749%0.49128%0.276SS..  trans-115.791.8177.3-59.6-49.8171.6-156.9-1.9111.2N139 Y176 L177N139-R174 HydrophobicContact CB-CB 4.49Å; N139-R174 HydrophobicContact CB-CG 4.04Å; N139-R174 PolarHBondContact OD1-N 3.28Å; R174-Y176 VanDerWaalsContact C-N 3.28Å; R174-Y176 HydrophobicContact CB-CD1 4.07Å; R174-Y176 HydrophobicContact CB-CE1 3.59Å; R174-Y176 HydrophobicContact CG-CE1 3.98Å; R174-Y176 PolarHBondContact O-N 3.34Å; R174-L177 HydrophobicContact CB-CB 4.48Å; R174-L177 HydrophobicContact CB-CD1 3.82Å; R174-L177 HydrophobicContact CB-CG 3.99Å; R174-L177 HydrophobicContact CG-CD1 4.37Å; R174-L177 WeakPolarHBondContact O-CB 3.44Å; R174-L177 PolarHBondContact O-N 2.95Å
175Q96.1Very high96.1Very high113 Ų11361.9 Ų61.953%0.52829%0.293SS..Hα-helixtrans-57.8-35.6-176.6-65.7-56.4-36.600113.8L177 V178 E179Q175-L177 PolarHBondContact O-N 2.88Å; Q175-L177 VanDerWaalsContact O-N 3.11Å; Q175-V178 WeakPolarHBondContact O-CA 3.06Å; Q175-V178 WeakPolarHBondContact O-CB 3.47Å; Q175-V178 PolarHBondContact O-N 3.16Å; Q175-E179 WeakPolarHBondContact O-CG 3.47Å; Q175-E179 PolarHBondContact O-N 3.5Å
176Y96.2Very high94.8Very high66 Ų6662.6 Ų62.626%0.25930%0.301SS..Hα-helixtrans-60.3-24.9176.373.2-93.7000113.8G98 S99 V100 R174 D180G98-Y176 WeakPolarHBondContact CA-OH 3.4Å; G98-Y176 WeakPolarHBondContact O-CE2 3.41Å; S99-Y176 WeakPolarHBondContact O-CE2 3.42Å; V100-Y176 HydrophobicContact CG1-CD2 4.14Å; V100-Y176 HydrophobicContact CG1-CE2 4.48Å; R174-Y176 VanDerWaalsContact C-N 3.28Å; R174-Y176 HydrophobicContact CB-CD1 4.07Å; R174-Y176 HydrophobicContact CB-CE1 3.59Å; R174-Y176 HydrophobicContact CG-CE1 3.98Å; R174-Y176 PolarHBondContact O-N 3.34Å; Y176-D180 PolarHBondContact O-N 3.26Å
177L97.6Very high93.3Very high0 Ų061.9 Ų61.90%031%0.307CS..Hα-helixtrans-76.7-42.7173-63.6178.5000111V100 N139 Y143 R174 Q175 D180 I181V100-L177 HydrophobicContact CG1-CD2 4.12Å; N139-L177 HydrophobicContact CB-CD1 3.72Å; Y143-L177 HydrophobicContact CD2-CB 3.96Å; Y143-L177 HydrophobicContact CD2-CD2 3.69Å; Y143-L177 HydrophobicContact CD2-CG 4.35Å; Y143-L177 HydrophobicContact CE2-CD2 4.19Å; Y143-L177 HydrophobicContact CG-CD2 3.98Å; R174-L177 HydrophobicContact CB-CB 4.48Å; R174-L177 HydrophobicContact CB-CD1 3.82Å; R174-L177 HydrophobicContact CB-CG 3.99Å; R174-L177 HydrophobicContact CG-CD1 4.37Å; R174-L177 WeakPolarHBondContact O-CB 3.44Å; R174-L177 PolarHBondContact O-N 2.95Å; Q175-L177 PolarHBondContact O-N 2.88Å; Q175-L177 VanDerWaalsContact O-N 3.11Å; L177-D180 PolarHBondContact O-N 2.94Å; L177-I181 WeakPolarHBondContact O-CD1 3.48Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.32Å; L177-I181 PolarHBondContact O-N 3.38Å
178V98.1Very high91.5Very high16 Ų1664.9 Ų64.910%0.09733%0.325CS..Hα-helixtrans-60.7-48.8177.4179.50000109.7I161 F172 Q175 D180 I181 L182I161-V178 HydrophobicContact CD1-CG1 3.88Å; F172-V178 HydrophobicContact CB-CG2 3.43Å; F172-V178 VanDerWaalsContact CB-CG2 3.43Å; F172-V178 HydrophobicContact CD1-CG2 4.15Å; F172-V178 HydrophobicContact CD2-CG2 4.14Å; F172-V178 HydrophobicContact CG-CG2 3.68Å; Q175-V178 WeakPolarHBondContact O-CA 3.06Å; Q175-V178 WeakPolarHBondContact O-CB 3.47Å; Q175-V178 PolarHBondContact O-N 3.16Å; V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 PolarHBondContact O-N 2.85Å; V178-I181 PolarHBondContact O-N 3.15Å; V178-I181 VanDerWaalsContact O-N 3.14Å; V178-L182 HydrophobicContact CG1-CD1 3.97Å; V178-L182 HydrophobicContact CG1-CG 4.39Å; V178-L182 WeakPolarHBondContact O-CG 3.08Å; V178-L182 PolarHBondContact O-N 2.85Å
179E97.1Very high89.5Confident87 Ų8768 Ų6841%0.40734%0.341SS..Hα-helixtrans-57.8-40.9176.4-71.5176.2-15000112.8Q175 L182 R183Q175-E179 WeakPolarHBondContact O-CG 3.47Å; Q175-E179 PolarHBondContact O-N 3.5Å; E179-L182 PolarHBondContact O-N 3.28Å; E179-R183 WeakPolarHBondContact O-CG 3.39Å; E179-R183 PolarHBondContact O-N 2.72Å; E179-R183 IonicContact OE2-CZ 3.98Å; E179-R183 IonicContact OE2-NH2 2.56Å; E179-R183 PolarHBondContact OE2-NH2 2.95Å
180D96.6Very high87.4Confident36 Ų3669.3 Ų69.319%0.19334%0.339CS..Hα-helixtrans-68.6-34.7177.5-175.678.5000112.6V100 Y143 K147 Y176 L177 V178 A184V100-D180 HydrophobicContact CG1-CB 3.71Å; Y143-D180 HydrophobicContact CE2-CB 4.16Å; Y143-D180 WeakPolarHBondContact CE2-OD2 3.18Å; Y143-D180 PolarHBondContact OH-OD2 3.27Å; K147-D180 PolarHBondContact NZ-O 3.4Å; K147-D180 IonicContact NZ-OD1 3.06Å; K147-D180 IonicContact NZ-OD2 2.73Å; K147-D180 PolarHBondContact NZ-OD2 2.89Å; Y176-D180 PolarHBondContact O-N 3.26Å; L177-D180 PolarHBondContact O-N 2.94Å; V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 PolarHBondContact O-N 2.85Å; D180-A184 PolarHBondContact O-N 3.48Å
181I97.3Very high85.3Confident0 Ų068.6 Ų68.60%034%0.337CS..Hα-helixtrans-66.6-45.6172.8-62.9156.9000109.9Y143 C146 V150 A157 V160 I161 F172 L177 V178 R183 A184Y143-I181 HydrophobicContact CD2-CD1 4.13Å; Y143-I181 HydrophobicContact CD2-CG1 3.94Å; Y143-I181 HydrophobicContact CE2-CG1 4.25Å; C146-I181 HydrophobicContact CB-CD1 3.87Å; C146-I181 HydrophobicContact CB-CG1 4.28Å; C146-I181 HydrophobicContact CB-CG2 3.98Å; V150-I181 HydrophobicContact CG2-CG2 4.35Å; A157-I181 HydrophobicContact CB-CG2 4.42Å; V160-I181 HydrophobicContact CG1-CG2 4.4Å; I161-I181 HydrophobicContact CD1-CB 3.98Å; I161-I181 HydrophobicContact CD1-CD1 4.48Å; I161-I181 HydrophobicContact CD1-CG2 3.71Å; I161-I181 HydrophobicContact CG1-CB 4.45Å; I161-I181 HydrophobicContact CG1-CD1 4.35Å; I161-I181 HydrophobicContact CG1-CG2 3.85Å; F172-I181 HydrophobicContact CE1-CD1 4.32Å; F172-I181 HydrophobicContact CZ-CD1 3.99Å; L177-I181 WeakPolarHBondContact O-CD1 3.48Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.32Å; L177-I181 PolarHBondContact O-N 3.38Å; V178-I181 PolarHBondContact O-N 3.15Å; V178-I181 VanDerWaalsContact O-N 3.14Å; I181-R183 VanDerWaalsContact C-N 3.25Å; I181-R183 PolarHBondContact O-N 3.01Å; I181-A184 WeakPolarHBondContact O-CB 3.46Å; I181-A184 PolarHBondContact O-N 2.88Å
182L97Very high82.8Confident79 Ų7968.8 Ų68.841%0.41434%0.338SS..Hα-helixtrans-64.3-27.9-179.9-69.2173.5000113.3A157 E158 I161 V178 E179 A184A157-L182 HydrophobicContact CB-CD2 4.16Å; E158-L182 HydrophobicContact CB-CD2 4.45Å; E158-L182 HydrophobicContact CG-CD2 3.59Å; I161-L182 HydrophobicContact CD1-CD2 3.76Å; I161-L182 HydrophobicContact CD1-CG 3.86Å; V178-L182 HydrophobicContact CG1-CD1 3.97Å; V178-L182 HydrophobicContact CG1-CG 4.39Å; V178-L182 WeakPolarHBondContact O-CG 3.08Å; V178-L182 PolarHBondContact O-N 2.85Å; E179-L182 PolarHBondContact O-N 3.28Å; L182-A184 VanDerWaalsContact C-N 3.31Å
183R94.9Very high80Confident177 Ų17780.1 Ų80.167%0.66839%0.387SS*.THydrogen-bonded Turntrans-81.7-6.2173.3-69.8177.3-165.2141.713.7113.7E179 I181 D185E179-R183 WeakPolarHBondContact O-CG 3.39Å; E179-R183 PolarHBondContact O-N 2.72Å; E179-R183 IonicContact OE2-CZ 3.98Å; E179-R183 IonicContact OE2-NH2 2.56Å; E179-R183 PolarHBondContact OE2-NH2 2.95Å; I181-R183 VanDerWaalsContact C-N 3.25Å; I181-R183 PolarHBondContact O-N 3.01Å; R183-D185 PolarHBondContact O-N 2.63Å
184A88.3Confident79.2Confident13 Ų1381.1 Ų81.111%0.10739%0.39CS..  trans-70.5121.6179.600000109.8K147 V150 Q151 D180 I181 L182K147-A184 HydrophobicContact CD-CB 4.05Å; V150-A184 HydrophobicContact CB-CB 4.3Å; V150-A184 HydrophobicContact CG1-CB 3.7Å; Q151-A184 HydrophobicContact CG-CB 4.2Å; D180-A184 PolarHBondContact O-N 3.48Å; I181-A184 WeakPolarHBondContact O-CB 3.46Å; I181-A184 PolarHBondContact O-N 2.88Å; L182-A184 VanDerWaalsContact C-N 3.31Å
185D78.6Confident78.3Confident68 Ų6878.5 Ų78.536%0.36439%0.385SS..  trans-104.7120.3173.2176.45.1000109R183 S187 T188R183-D185 PolarHBondContact O-N 2.63Å; D185-S187 PolarHBondContact O-N 2.78Å; D185-S187 VanDerWaalsContact O-N 3.13Å; D185-S187 VanDerWaalsContact OD1-CB 3.3Å; D185-S187 WeakPolarHBondContact OD1-CB 3.43Å; D185-S187 PolarHBondContact OD1-N 2.87Å; D185-S187 PolarHBondContact OD1-OG 3.29Å; D185-S187 VanDerWaalsContact OD1-OG 3.14Å; D185-S187 PolarHBondContact OD2-OG 3.3Å; D185-T188 HydrophobicContact CB-CG2 4.14Å; D185-T188 WeakPolarHBondContact CB-OG1 2.97Å; D185-T188 PolarHBondContact O-N 2.99Å; D185-T188 PolarHBondContact O-OG1 3.14Å
186P71.3Confident77.4Confident59 Ų5976.6 Ų76.638%0.38338%0.377SS..THydrogen-bonded Turntrans-54.4-25.5173.6-2332.2000113.6V150 T188V150-P186 HydrophobicContact CG1-CG 4.11Å; P186-T188 VanDerWaalsContact C-N 3.35Å
187S67.7Low76.2Confident95 Ų9577.2 Ų77.266%0.66438%0.384SS*.THydrogen-bonded Turntrans-76.9-21.2177.992.40000113.3D185 D189D185-S187 PolarHBondContact O-N 2.78Å; D185-S187 VanDerWaalsContact O-N 3.13Å; D185-S187 VanDerWaalsContact OD1-CB 3.3Å; D185-S187 WeakPolarHBondContact OD1-CB 3.43Å; D185-S187 PolarHBondContact OD1-N 2.87Å; D185-S187 PolarHBondContact OD1-OG 3.29Å; D185-S187 VanDerWaalsContact OD1-OG 3.14Å; D185-S187 PolarHBondContact OD2-OG 3.3Å; S187-D189 PolarHBondContact O-N 3.09Å
188T61.6Low74.9Confident74 Ų7482 Ų8245%0.45441%0.408SS..SBendtrans-93.270.5176.458.50000110.2D185 P186 Q190D185-T188 HydrophobicContact CB-CG2 4.14Å; D185-T188 WeakPolarHBondContact CB-OG1 2.97Å; D185-T188 PolarHBondContact O-N 2.99Å; D185-T188 PolarHBondContact O-OG1 3.14Å; P186-T188 VanDerWaalsContact C-N 3.35Å; T188-Q190 VanDerWaalsContact C-N 3.32Å; T188-Q190 PolarHBondContact O-N 3.13Å
189D55.8Low73.4Confident65 Ų6586.4 Ų86.435%0.34843%0.429SS..  trans-75.381.9-174.5-151.7-14.5000111.2S187 L191 F192S187-D189 PolarHBondContact O-N 3.09Å; D189-L191 PolarHBondContact O-N 3.16Å; D189-L191 VanDerWaalsContact O-N 3.16Å; D189-L191 PolarHBondContact OD1-N 3.17Å; D189-F192 HydrophobicContact CB-CD2 3.87Å; D189-F192 HydrophobicContact CB-CE2 4.37Å; D189-F192 VanDerWaalsContact CG-CD2 3.47Å; D189-F192 WeakPolarHBondContact OD2-CD2 3.44Å; D189-F192 WeakPolarHBondContact OD2-CE2 3.24Å
190Q54.4Low71.7Confident105 Ų10586.4 Ų86.449%0.49143%0.431SS..THydrogen-bonded Turntrans-714.6172.7-70.3-170.8-18.200113T188T188-Q190 VanDerWaalsContact C-N 3.32Å; T188-Q190 PolarHBondContact O-N 3.13Å
191L54Low69.8Low26 Ų2690.2 Ų90.214%0.13645%0.449CS..THydrogen-bonded Turntrans-103.74.1-179.6-64.6171.1000113.3I107 A110 Q151 C152 D189 F193I107-L191 HydrophobicContact CB-CD2 4.44Å; I107-L191 HydrophobicContact CG1-CD2 3.49Å; I107-L191 VanDerWaalsContact CG1-CD2 3.49Å; A110-L191 HydrophobicContact CB-CD1 4.38Å; Q151-L191 HydrophobicContact CB-CD1 4.27Å; C152-L191 WeakPolarHBondContact SG-CD1 3.41Å; D189-L191 PolarHBondContact O-N 3.16Å; D189-L191 VanDerWaalsContact O-N 3.16Å; D189-L191 PolarHBondContact OD1-N 3.17Å; L191-F193 PolarHBondContact O-N 3.05Å
192F45.4Very low67.5Low164 Ų16497.8 Ų97.872%0.71949%0.486SS*.  trans-89.774.7160.9-78.9-73.2000110.3D189D189-F192 HydrophobicContact CB-CD2 3.87Å; D189-F192 HydrophobicContact CB-CE2 4.37Å; D189-F192 VanDerWaalsContact CG-CD2 3.47Å; D189-F192 WeakPolarHBondContact OD2-CD2 3.44Å; D189-F192 WeakPolarHBondContact OD2-CE2 3.24Å
193F40.5Very low64.8Low248 Ų24899.5 Ų99.5100%1.08849%0.493SS*.  trans-133.80156.8-66.4-72.4000108.8L191L191-F193 PolarHBondContact O-N 3.05Å

Retrieved 193 of 193 residues in 281.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).