A0A3Q0KPN0_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A3Q0KPN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low68.2Low239 Ų239101.4 Ų101.4100%1.17754%0.541SS*.  0113.10-84.2-179.8-105.400107.8V3M1-V3 PolarHBondContact O-N 3.26Å
2T51.9Low70.3Confident145 Ų14599.5 Ų99.589%0.8953%0.527SS*.  trans-75.4111.8170.240.90000108H4T2-H4 PolarHBondContact O-N 3.14Å
3V57.3Low72.2Confident77 Ų7794.6 Ų94.647%0.46750%0.499SS..  trans-71.1110.5174.7-179.40000107.4M1 V5M1-V3 PolarHBondContact O-N 3.26Å; V3-V5 HydrophobicContact CG1-CG2 4.13Å; V3-V5 PolarHBondContact O-N 2.7Å
4H56.9Low73.9Confident179 Ų17987.9 Ų87.983%0.82946%0.463SS*.  trans-79.5101.5175-169.228.2000108.6T2T2-H4 PolarHBondContact O-N 3.14Å
5V57.1Low75.4Confident28 Ų2887.1 Ų87.117%0.1745%0.452CS..PPolyproline II helixtrans-85124.5176-173.40000108.2V3 Y7 F41 T50V3-V5 HydrophobicContact CG1-CG2 4.13Å; V3-V5 PolarHBondContact O-N 2.7Å; V5-Y7 PolarHBondContact O-N 2.64Å; V5-F41 HydrophobicContact CG2-CE1 4.22Å; V5-T50 HydrophobicContact CG1-CG2 4.05Å; V5-T50 HydrophobicContact CG2-CG2 4.04Å
6P58.1Low76.7Confident95 Ų9584.7 Ų84.762%0.61745%0.449SS*.PPolyproline II helixtrans-56.2132.9175.5-21.331.3000110.6S8P6-S8 PolarHBondContact O-N 2.98Å
7Y65.3Low77.8Confident182 Ų18280.6 Ų80.671%0.71443%0.427SS*.PPolyproline II helixtrans-69.4124.9174.4179.7-94.7000109.9V5 E12V5-Y7 PolarHBondContact O-N 2.64Å; Y7-E12 HydrophobicContact CD2-CG 4.31Å; Y7-E12 HydrophobicContact CE2-CG 3.62Å
8S82Confident78.9Confident31 Ų3176.4 Ų76.422%0.21741%0.405CS..  trans-141.9148.1165.776.60000109.2P6 W10 S11 E12 L37P6-S8 PolarHBondContact O-N 2.98Å; S8-W10 PolarHBondContact O-N 2.74Å; S8-S11 WeakPolarHBondContact O-CA 3.38Å; S8-S11 WeakPolarHBondContact O-CB 3.49Å; S8-S11 PolarHBondContact O-N 2.87Å; S8-S11 PolarHBondContact OG-N 2.97Å; S8-S11 VanDerWaalsContact OG-N 3.11Å; S8-S11 PolarHBondContact OG-OG 3.24Å; S8-E12 PolarHBondContact O-N 2.86Å; S8-E12 VanDerWaalsContact O-N 3.12Å; S8-L37 PolarHBondContact OG-O 3.29Å
9A91.4Very high79.8Confident74 Ų7480.8 Ų80.861%0.61242%0.423SS*.Hα-helixtrans-55.7-36.3176.500000111.7S11 E12 Q13A9-S11 VanDerWaalsContact C-N 3.34Å; A9-S11 PolarHBondContact O-N 2.82Å; A9-E12 PolarHBondContact O-N 3.48Å; A9-Q13 WeakPolarHBondContact O-CB 3.49Å; A9-Q13 PolarHBondContact O-N 3.39Å
10W93.9Very high80.7Confident61 Ų6182.1 Ų82.123%0.23143%0.434CS..Hα-helixtrans-62.6-36.7172.9-69.798.6000113.3S8 Q13 C14 V29 L37 L108 Y137 F142S8-W10 PolarHBondContact O-N 2.74Å; W10-Q13 PolarHBondContact O-N 3.16Å; W10-C14 PolarHBondContact O-N 3.37Å; W10-C14 PolarHBondContact O-SG 2.88Å; W10-V29 HydrophobicContact CE3-CB 4.22Å; W10-V29 HydrophobicContact CE3-CG1 3.8Å; W10-V29 HydrophobicContact CZ3-CG1 3.77Å; W10-L37 HydrophobicContact CB-CB 4.13Å; W10-L37 WeakPolarHBondContact CB-O 3.31Å; W10-L37 HydrophobicContact CD2-CB 3.82Å; W10-L37 HydrophobicContact CD2-CD1 4.09Å; W10-L37 HydrophobicContact CE3-CB 4.41Å; W10-L37 HydrophobicContact CE3-CD1 4.37Å; W10-L37 HydrophobicContact CG-CB 3.66Å; W10-L37 HydrophobicContact CH2-CD1 4.11Å; W10-L37 HydrophobicContact CZ2-CD1 3.79Å; W10-L37 HydrophobicContact CZ3-CD1 4.37Å; W10-L108 HydrophobicContact CH2-CD1 3.9Å; W10-L108 HydrophobicContact CH2-CD2 4.17Å; W10-L108 HydrophobicContact CZ3-CD1 3.84Å; W10-L108 HydrophobicContact CZ3-CD2 4.49Å; W10-Y137 HydrophobicContact CE3-CE1 4.31Å; W10-Y137 HydrophobicContact CZ3-CD1 4.22Å; W10-Y137 AromaticContact CZ3-CE1 3.62Å; W10-Y137 HydrophobicContact CZ3-CE1 3.62Å; W10-F142 HydrophobicContact CH2-CD1 4.22Å; W10-F142 HydrophobicContact CH2-CD2 4.44Å; W10-F142 HydrophobicContact CH2-CE1 4.07Å; W10-F142 HydrophobicContact CH2-CE2 4.31Å; W10-F142 HydrophobicContact CH2-CG 4.4Å; W10-F142 HydrophobicContact CH2-CZ 4.12Å; W10-F142 HydrophobicContact CZ2-CD1 4.46Å; W10-F142 HydrophobicContact CZ2-CE1 4.46Å
11S94.7Very high81.5Confident4 Ų480.6 Ų80.63%0.02842%0.423CS..Hα-helixtrans-71.6-37.8177.8-57.50000111.6S8 A9 C14 R15 G38 S39S8-S11 WeakPolarHBondContact O-CA 3.38Å; S8-S11 WeakPolarHBondContact O-CB 3.49Å; S8-S11 PolarHBondContact O-N 2.87Å; S8-S11 PolarHBondContact OG-N 2.97Å; S8-S11 VanDerWaalsContact OG-N 3.11Å; S8-S11 PolarHBondContact OG-OG 3.24Å; A9-S11 VanDerWaalsContact C-N 3.34Å; A9-S11 PolarHBondContact O-N 2.82Å; S11-C14 WeakPolarHBondContact O-CB 3.15Å; S11-C14 PolarHBondContact O-N 2.75Å; S11-R15 WeakPolarHBondContact O-CG 3.41Å; S11-R15 PolarHBondContact O-N 2.9Å; S11-G38 VanDerWaalsContact OG-CA 3.29Å; S11-G38 WeakPolarHBondContact OG-CA 3.21Å; S11-S39 WeakPolarHBondContact CB-O 3.48Å; S11-S39 PolarHBondContact OG-N 2.94Å; S11-S39 PolarHBondContact OG-O 3.04Å
12E93.7Very high83.9Confident79 Ų7972.6 Ų72.637%0.36939%0.39SS..Hα-helixtrans-63-42.6171-68.5-54.3135.100111.7Y7 S8 A9 C14 R15 A16Y7-E12 HydrophobicContact CD2-CG 4.31Å; Y7-E12 HydrophobicContact CE2-CG 3.62Å; S8-E12 PolarHBondContact O-N 2.86Å; S8-E12 VanDerWaalsContact O-N 3.12Å; A9-E12 PolarHBondContact O-N 3.48Å; E12-C14 VanDerWaalsContact C-N 3.33Å; E12-C14 PolarHBondContact O-N 3.11Å; E12-R15 WeakPolarHBondContact O-CB 3.28Å; E12-R15 PolarHBondContact O-N 2.85Å; E12-R15 VanDerWaalsContact O-N 3.13Å; E12-R15 IonicContact OE1-CZ 3.53Å; E12-R15 IonicContact OE1-NH1 3.17Å; E12-R15 PolarHBondContact OE1-NH1 3.1Å; E12-R15 IonicContact OE2-NH1 3.98Å; E12-A16 PolarHBondContact O-N 2.99Å
13Q94.6Very high86Confident36 Ų3668.4 Ų68.417%0.16836%0.36CS..Hα-helixtrans-61.6-41.7174.7-167.7-178.82800111.7A9 W10 R15 A16 L17 Y136 Y137A9-Q13 WeakPolarHBondContact O-CB 3.49Å; A9-Q13 PolarHBondContact O-N 3.39Å; W10-Q13 PolarHBondContact O-N 3.16Å; Q13-R15 VanDerWaalsContact C-N 3.32Å; Q13-R15 PolarHBondContact O-N 2.78Å; Q13-A16 PolarHBondContact O-N 3.11Å; Q13-L17 HydrophobicContact CG-CD1 4.36Å; Q13-L17 WeakPolarHBondContact O-CB 3.43Å; Q13-L17 WeakPolarHBondContact O-CG 3.39Å; Q13-L17 PolarHBondContact O-N 2.87Å; Q13-Y136 VanDerWaalsContact NE2-CE1 3.28Å; Q13-Y136 PolarHBondContact NE2-OH 3.2Å; Q13-Y137 PolarHBondContact OE1-OH 3.49Å
14C96.3Very high87.9Confident0 Ų064.7 Ų64.70%034%0.337CS..Hα-helixtrans-59.6-42173.3-68.50000111.6W10 S11 E12 L18 L27 A40W10-C14 PolarHBondContact O-N 3.37Å; W10-C14 PolarHBondContact O-SG 2.88Å; S11-C14 WeakPolarHBondContact O-CB 3.15Å; S11-C14 PolarHBondContact O-N 2.75Å; E12-C14 VanDerWaalsContact C-N 3.33Å; E12-C14 PolarHBondContact O-N 3.11Å; C14-L18 WeakPolarHBondContact O-CB 3.25Å; C14-L18 VanDerWaalsContact O-CG 3.24Å; C14-L18 WeakPolarHBondContact O-CG 3.42Å; C14-L18 PolarHBondContact O-N 2.95Å; C14-L27 HydrophobicContact CB-CB 4.28Å; C14-L27 HydrophobicContact CB-CD2 4.16Å; C14-A40 HydrophobicContact CB-CB 3.6Å
15R95.7Very high89.9Confident76 Ų7656.8 Ų56.829%0.28730%0.301SS..Hα-helixtrans-62.2-48175.7-70.8177.2-174.2108.38.3111.5S11 E12 Q13 L17 L18 E19 A40S11-R15 WeakPolarHBondContact O-CG 3.41Å; S11-R15 PolarHBondContact O-N 2.9Å; E12-R15 WeakPolarHBondContact O-CB 3.28Å; E12-R15 PolarHBondContact O-N 2.85Å; E12-R15 VanDerWaalsContact O-N 3.13Å; E12-R15 IonicContact OE1-CZ 3.53Å; E12-R15 IonicContact OE1-NH1 3.17Å; E12-R15 PolarHBondContact OE1-NH1 3.1Å; E12-R15 IonicContact OE2-NH1 3.98Å; Q13-R15 VanDerWaalsContact C-N 3.32Å; Q13-R15 PolarHBondContact O-N 2.78Å; R15-L17 PolarHBondContact O-N 3.5Å; R15-L18 WeakPolarHBondContact O-CB 3.45Å; R15-L18 PolarHBondContact O-N 3.04Å; R15-L18 VanDerWaalsContact O-N 3.16Å; R15-E19 PolarHBondContact O-N 2.83Å; R15-A40 HydrophobicContact CB-CB 4.35Å; R15-A40 HydrophobicContact CG-CB 3.54Å
16A95.9Very high91.8Very high49 Ų4955.4 Ų55.441%0.40529%0.293SS..Hα-helixtrans-61.6-43.6179.100000112.2E12 Q13 L18 E19 V20E12-A16 PolarHBondContact O-N 2.99Å; Q13-A16 PolarHBondContact O-N 3.11Å; A16-L18 VanDerWaalsContact C-N 3.31Å; A16-L18 PolarHBondContact O-N 3.17Å; A16-E19 WeakPolarHBondContact O-CB 3.46Å; A16-E19 PolarHBondContact O-N 2.81Å; A16-E19 VanDerWaalsContact O-N 3.16Å; A16-V20 PolarHBondContact O-N 3.3Å
17L97Very high93.7Very high16 Ų1650.9 Ų50.98%0.08426%0.264CS..Hα-helixtrans-62.6-39.8174.7-71.6171.6000111.5Q13 R15 E19 V20 Y21 L27 I133 Y136 Y137Q13-L17 HydrophobicContact CG-CD1 4.36Å; Q13-L17 WeakPolarHBondContact O-CB 3.43Å; Q13-L17 WeakPolarHBondContact O-CG 3.39Å; Q13-L17 PolarHBondContact O-N 2.87Å; R15-L17 PolarHBondContact O-N 3.5Å; L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 3.31Å; L17-V20 PolarHBondContact O-N 3.18Å; L17-Y21 HydrophobicContact CB-CD2 4.48Å; L17-Y21 HydrophobicContact CD2-CD2 4.45Å; L17-Y21 HydrophobicContact CD2-CE2 4.06Å; L17-Y21 WeakPolarHBondContact O-CB 3.42Å; L17-Y21 VanDerWaalsContact O-CD2 3.25Å; L17-Y21 WeakPolarHBondContact O-CD2 3.23Å; L17-Y21 PolarHBondContact O-N 2.72Å; L17-L27 HydrophobicContact CB-CD2 4.16Å; L17-L27 HydrophobicContact CD1-CD2 3.89Å; L17-I133 HydrophobicContact CD1-CG2 4.1Å; L17-I133 HydrophobicContact CD2-CG1 4.42Å; L17-Y136 HydrophobicContact CD1-CD1 4.39Å; L17-Y136 HydrophobicContact CD1-CE1 4.32Å; L17-Y136 HydrophobicContact CD2-CD1 4.19Å; L17-Y136 HydrophobicContact CD2-CE1 4.28Å; L17-Y137 HydrophobicContact CD1-CE2 3.83Å; L17-Y137 WeakPolarHBondContact CD1-OH 3.17Å
18L97.2Very high95.2Very high5 Ų542.2 Ų42.23%0.02623%0.23CC..Hα-helixtrans-63.2-34174.9-79.8-178.9000112.3C14 R15 A16 Y21 L24 L27 A40 K42C14-L18 WeakPolarHBondContact O-CB 3.25Å; C14-L18 VanDerWaalsContact O-CG 3.24Å; C14-L18 WeakPolarHBondContact O-CG 3.42Å; C14-L18 PolarHBondContact O-N 2.95Å; R15-L18 WeakPolarHBondContact O-CB 3.45Å; R15-L18 PolarHBondContact O-N 3.04Å; R15-L18 VanDerWaalsContact O-N 3.16Å; A16-L18 VanDerWaalsContact C-N 3.31Å; A16-L18 PolarHBondContact O-N 3.17Å; L18-Y21 CarbonylContact O-C 3.48Å; L18-L24 HydrophobicContact CD2-CB 3.56Å; L18-L27 HydrophobicContact CD1-CB 4.3Å; L18-L27 HydrophobicContact CD2-CB 4.14Å; L18-L27 HydrophobicContact CG-CB 4.08Å; L18-A40 HydrophobicContact CD1-CB 3.7Å; L18-K42 HydrophobicContact CD1-CG 4.42Å; L18-K42 WeakPolarHBondContact O-CE 3.49Å; L18-K42 PolarHBondContact O-NZ 3.34Å
19E96.4Very high95.9Very high160 Ų16040.8 Ų40.875%0.74822%0.219SC*.Hα-helixtrans-65-41.5173.6-70.1174.3-17600112.1R15 A16 L17R15-E19 PolarHBondContact O-N 2.83Å; A16-E19 WeakPolarHBondContact O-CB 3.46Å; A16-E19 PolarHBondContact O-N 2.81Å; A16-E19 VanDerWaalsContact O-N 3.16Å; L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 3.31Å
20V96.8Very high96Very high105 Ų10537.2 Ų37.264%0.63619%0.19SC*.Hα-helixtrans-68.5-50.3176.3177.60000111.1A16 L17 S22A16-V20 PolarHBondContact O-N 3.3Å; L17-V20 PolarHBondContact O-N 3.18Å; V20-S22 PolarHBondContact O-N 3.22Å
21Y96.8Very high96Very high51 Ų5136.4 Ų36.420%0.219%0.19CC..  trans-9373.5-177.7-62.2-73.1000110.8L17 L18 K23 L24 A129 D132 I133L17-Y21 HydrophobicContact CB-CD2 4.48Å; L17-Y21 HydrophobicContact CD2-CD2 4.45Å; L17-Y21 HydrophobicContact CD2-CE2 4.06Å; L17-Y21 WeakPolarHBondContact O-CB 3.42Å; L17-Y21 VanDerWaalsContact O-CD2 3.25Å; L17-Y21 WeakPolarHBondContact O-CD2 3.23Å; L17-Y21 PolarHBondContact O-N 2.72Å; L18-Y21 CarbonylContact O-C 3.48Å; Y21-K23 PolarHBondContact O-N 3.16Å; Y21-L24 PolarHBondContact O-N 3.24Å; Y21-A129 HydrophobicContact CD1-CB 3.45Å; Y21-A129 VanDerWaalsContact CD1-CB 3.45Å; Y21-A129 HydrophobicContact CE1-CB 4.26Å; Y21-A129 HydrophobicContact CG-CB 3.88Å; Y21-D132 HydrophobicContact CE1-CB 3.75Å; Y21-D132 VanDerWaalsContact OH-CB 3.23Å; Y21-D132 WeakPolarHBondContact OH-CB 3.46Å; Y21-I133 HydrophobicContact CD2-CD1 3.63Å; Y21-I133 HydrophobicContact CD2-CG1 3.52Å; Y21-I133 HydrophobicContact CE2-CD1 4.13Å; Y21-I133 HydrophobicContact CE2-CG1 3.46Å; Y21-I133 VanDerWaalsContact CE2-CG1 3.46Å; Y21-I133 HydrophobicContact CG-CD1 4.15Å; Y21-I133 HydrophobicContact CG-CG1 4.3Å
22S93.7Very high95.7Very high72 Ų7239.7 Ų39.750%0.50321%0.205SC..THydrogen-bonded Turntrans-55.5-22.4-173.864.30000115.3V20 K42V20-S22 PolarHBondContact O-N 3.22Å; S22-K42 PolarHBondContact O-NZ 2.96Å
23K95.3Very high95.5Very high56 Ų5638.6 Ų38.624%0.24322%0.215CC..THydrogen-bonded Turntrans-82.3-9.6-179.8-55.6-51.5-178.9-175.40114.8Y21 S114 E120 K122 T125 A126Y21-K23 PolarHBondContact O-N 3.16Å; K23-S114 WeakPolarHBondContact O-CB 3.29Å; K23-E120 WeakPolarHBondContact CE-OE1 3.47Å; K23-E120 IonicContact NZ-OE1 2.6Å; K23-E120 PolarHBondContact NZ-OE1 3.32Å; K23-E120 IonicContact NZ-OE2 3.72Å; K23-E120 PolarHBondContact NZ-OE2 3.47Å; K23-K122 HydrophobicContact CD-CG 4.5Å; K23-T125 HydrophobicContact CB-CG2 4.39Å; K23-T125 HydrophobicContact CG-CG2 3.73Å; K23-A126 HydrophobicContact CB-CB 4.44Å
24L97.7Very high95.3Very high0 Ų037.1 Ų37.10%021%0.208CC..  trans-92.1141.8167.8-70.6168000109.8L18 Y21 L27 K42 F101 A126 A129 M130 I133L18-L24 HydrophobicContact CD2-CB 3.56Å; Y21-L24 PolarHBondContact O-N 3.24Å; L24-L27 HydrophobicContact CD1-CD1 4.39Å; L24-K42 VanDerWaalsContact O-CE 3.22Å; L24-K42 WeakPolarHBondContact O-CE 3.36Å; L24-K42 PolarHBondContact O-NZ 3.02Å; L24-F101 HydrophobicContact CD2-CD2 4.16Å; L24-F101 HydrophobicContact CD2-CE2 4.38Å; L24-A126 HydrophobicContact CD2-CB 3.97Å; L24-A126 HydrophobicContact CG-CB 4.48Å; L24-A129 HydrophobicContact CD1-CB 4Å; L24-A129 HydrophobicContact CG-CB 4.32Å; L24-M130 HydrophobicContact CD1-CG 4.12Å; L24-M130 HydrophobicContact CD1-SD 3.81Å; L24-M130 HydrophobicContact CD2-CG 4.01Å; L24-M130 HydrophobicContact CD2-SD 4.17Å; L24-I133 HydrophobicContact CD1-CD1 3.51Å
25D97.7Very high95Very high12 Ų1245.1 Ų45.16%0.06424%0.239CC..SBendtrans-113.3-14.9-177.2-65.8-59.4000111.8F41 K42 I43 F46 L113 S114 M115 K122D25-F41 CarbonylContact O-C 3.5Å; D25-F41 WeakPolarHBondContact O-CA 3.3Å; D25-K42 PolarHBondContact O-N 2.93Å; D25-I43 HydrophobicContact CB-CD1 4.05Å; D25-I43 HydrophobicContact CB-CG1 4.17Å; D25-F46 HydrophobicContact CB-CD2 3.66Å; D25-F46 HydrophobicContact CB-CE2 3.62Å; D25-L113 PolarHBondContact N-O 3.15Å; D25-S114 WeakPolarHBondContact OD2-CA 3.24Å; D25-M115 PolarHBondContact OD2-N 3.14Å; D25-K122 IonicContact OD1-NZ 2.98Å; D25-K122 IonicContact OD2-NZ 2.9Å; D25-K122 PolarHBondContact OD2-NZ 2.9Å; D25-K122 VanDerWaalsContact OD2-NZ 3.17Å
26A98.1Very high94.9Very high0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-155.615516600000112.4A40 F41 F46 I49 G112 L113A26-A40 CarbonylContact C-O 3.6Å; A26-A40 VanDerWaalsContact CA-O 3.26Å; A26-A40 WeakPolarHBondContact CA-O 3.26Å; A26-A40 WeakPolarHBondContact CB-O 3.37Å; A26-F41 HydrophobicContact CB-CB 3.73Å; A26-F46 HydrophobicContact CB-CB 3.66Å; A26-F46 HydrophobicContact CB-CD2 4.11Å; A26-F46 HydrophobicContact CB-CG 4.17Å; A26-I49 HydrophobicContact CB-CD1 3.76Å; A26-I49 HydrophobicContact CB-CG2 4.15Å; A26-G112 WeakPolarHBondContact O-CA 3.43Å; A26-L113 HydrophobicContact CB-CB 4.17Å; A26-L113 HydrophobicContact CB-CD1 4.23Å; A26-L113 PolarHBondContact N-O 3.5Å; A26-L113 PolarHBondContact O-N 3.31Å
27L97.8Very high94.8Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-139.6143.6178.5-160.977.3000109.9C14 L17 L18 L24 S39 A40 V110 F111 M130 I133C14-L27 HydrophobicContact CB-CB 4.28Å; C14-L27 HydrophobicContact CB-CD2 4.16Å; L17-L27 HydrophobicContact CB-CD2 4.16Å; L17-L27 HydrophobicContact CD1-CD2 3.89Å; L18-L27 HydrophobicContact CD1-CB 4.3Å; L18-L27 HydrophobicContact CD2-CB 4.14Å; L18-L27 HydrophobicContact CG-CB 4.08Å; L24-L27 HydrophobicContact CD1-CD1 4.39Å; L27-S39 CarbonylContact O-C 3.52Å; L27-S39 VanDerWaalsContact O-CA 3.22Å; L27-S39 WeakPolarHBondContact O-CA 3.39Å; L27-S39 WeakPolarHBondContact O-CB 3.48Å; L27-A40 PolarHBondContact N-O 3.29Å; L27-A40 PolarHBondContact O-N 2.83Å; L27-V110 HydrophobicContact CD1-CG1 3.93Å; L27-V110 HydrophobicContact CG-CG1 4.31Å; L27-F111 CarbonylContact C-O 3.45Å; L27-F111 VanDerWaalsContact CA-O 3.28Å; L27-F111 WeakPolarHBondContact CA-O 3.44Å; L27-F111 WeakPolarHBondContact CD1-O 3.48Å; L27-M130 HydrophobicContact CD1-SD 3.8Å; L27-I133 HydrophobicContact CD1-CD1 3.95Å; L27-I133 HydrophobicContact CD2-CD1 4.38Å; L27-I133 HydrophobicContact CD2-CG2 4.47Å
28C96.7Very high94.7Very high0 Ų042.3 Ų42.30%022%0.224CC..EExtended strand (participates in β ladder)trans-142.5132.2171176.80000110.3G38 I49 L52 V110 F111C28-G38 WeakPolarHBondContact CA-O 3.5Å; C28-I49 HydrophobicContact CB-CD1 3.67Å; C28-I49 HydrophobicContact CB-CG1 3.78Å; C28-L52 HydrophobicContact CB-CD1 3.98Å; C28-V110 WeakPolarHBondContact O-CA 3.34Å; C28-F111 HydrophobicContact CB-CB 4.19Å; C28-F111 PolarHBondContact N-O 2.91Å; C28-F111 PolarHBondContact O-N 3.32Å
29V95.7Very high94.6Very high0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-109.3128.3177.5-179.40000108.8W10 L37 G38 L108 V110 Y137W10-V29 HydrophobicContact CE3-CB 4.22Å; W10-V29 HydrophobicContact CE3-CG1 3.8Å; W10-V29 HydrophobicContact CZ3-CG1 3.77Å; V29-L37 HydrophobicContact CG1-CD1 4.22Å; V29-L37 PolarHBondContact O-N 3.14Å; V29-G38 PolarHBondContact N-O 3.3Å; V29-G38 PolarHBondContact O-N 3.36Å; V29-L108 HydrophobicContact CG1-CB 4.33Å; V29-L108 HydrophobicContact CG1-CD1 3.93Å; V29-L108 HydrophobicContact CG1-CD2 4.03Å; V29-L108 HydrophobicContact CG1-CG 4.32Å; V29-V110 HydrophobicContact CG2-CG1 4.35Å; V29-Y137 HydrophobicContact CG2-CE2 3.91Å
30C94.9Very high94.6Very high0 Ų034.8 Ų34.80%019%0.19CC..EExtended strand (participates in β ladder)trans-122.8153.4176-49.80000110.2R35 V57 L108 C109C30-R35 CarbonylContact C-O 3.54Å; C30-R35 WeakPolarHBondContact CA-O 3.22Å; C30-R35 WeakPolarHBondContact CB-O 3.5Å; C30-V57 HydrophobicContact CB-CG1 4.08Å; C30-L108 CarbonylContact O-C 3.56Å; C30-L108 VanDerWaalsContact O-CA 3.29Å; C30-L108 WeakPolarHBondContact O-CA 3.35Å; C30-C109 HydrophobicContact CB-CB 4.37Å; C30-C109 PolarHBondContact N-O 3.33Å; C30-C109 PolarHBondContact O-N 2.98Å
31D93.4Very high94.6Very high43 Ų4332.7 Ų32.723%0.2317%0.173CC..EExtended strand (participates in β ladder)trans-77.4171.9165.366.821.9000111.5G33 S34 R35 L37D31-G33 PolarHBondContact O-N 3.49Å; D31-G33 WeakPolarHBondContact OD1-CA 3.36Å; D31-G33 PolarHBondContact OD1-N 3.41Å; D31-S34 WeakPolarHBondContact O-CA 3.2Å; D31-S34 PolarHBondContact O-N 3.21Å; D31-S34 PolarHBondContact OD1-N 3.05Å; D31-R35 PolarHBondContact N-O 3.34Å; D31-R35 WeakPolarHBondContact OD1-CB 3.42Å; D31-R35 PolarHBondContact OD1-N 3.35Å; D31-R35 WeakPolarHBondContact OD2-CB 3.24Å; D31-L37 HydrophobicContact CB-CD1 4.39Å; D31-L37 HydrophobicContact CB-CD2 4.29Å; D31-L37 HydrophobicContact CB-CG 4.48Å
32H87.9Confident94.6Very high73 Ų7334.4 Ų34.434%0.33818%0.181SC..THydrogen-bonded Turntrans-67.4-13.3173.3-79.9-156.3000113.9S34 R61 T105 K106 T107 L108H32-S34 PolarHBondContact O-N 3.04Å; H32-R61 PolarHBondContact O-NH1 3.35Å; H32-T105 PolarHBondContact CE1-O 2.67Å; H32-T105 VanDerWaalsContact CE1-O 3.3Å; H32-T105 PolarHBondContact NE2-O 3.16Å; H32-K106 PolarHBondContact CE1-O 3.18Å; H32-T107 PolarHBondContact CD2-O 3.46Å; H32-T107 PolarHBondContact N-O 2.89Å; H32-L108 PolarHBondContact CD2-N 2.81Å; H32-L108 PolarHBondContact NE2-N 3.13Å; H32-L108 PolarHBondContact NE2-O 3.43Å
33G89.1Confident94.6Very high56 Ų5633 Ų3358%0.57717%0.168SC*.THydrogen-bonded Turntrans-74.1-1.2166.300000113.2D31 R35D31-G33 PolarHBondContact O-N 3.49Å; D31-G33 WeakPolarHBondContact OD1-CA 3.36Å; D31-G33 PolarHBondContact OD1-N 3.41Å; G33-R35 PolarHBondContact O-N 3.49Å
34S90.6Very high94.5Very high5 Ų535.8 Ų35.84%0.03519%0.191CC..  trans65.822-175.5-47.60000112.9D31 H32 T54D31-S34 WeakPolarHBondContact O-CA 3.2Å; D31-S34 PolarHBondContact O-N 3.21Å; D31-S34 PolarHBondContact OD1-N 3.05Å; H32-S34 PolarHBondContact O-N 3.04Å; S34-T54 VanDerWaalsContact O-CA 3.22Å; S34-T54 WeakPolarHBondContact O-CA 3.43Å; S34-T54 WeakPolarHBondContact O-CB 3.48Å; S34-T54 WeakPolarHBondContact O-CG2 3.33Å; S34-T54 PolarHBondContact O-OG1 3.1Å; S34-T54 VanDerWaalsContact O-OG1 3.14Å
35R91.4Very high94.3Very high169 Ų16940.7 Ų40.764%0.63821%0.214SC*.  trans-87.5131.6172-178.6-173.7176-168.9-0.2109.3C30 D31 G33 L37C30-R35 CarbonylContact C-O 3.54Å; C30-R35 WeakPolarHBondContact CA-O 3.22Å; C30-R35 WeakPolarHBondContact CB-O 3.5Å; D31-R35 PolarHBondContact N-O 3.34Å; D31-R35 WeakPolarHBondContact OD1-CB 3.42Å; D31-R35 PolarHBondContact OD1-N 3.35Å; D31-R35 WeakPolarHBondContact OD2-CB 3.24Å; G33-R35 PolarHBondContact O-N 3.49Å; R35-L37 PolarHBondContact O-N 2.95Å
36V93Very high94.2Very high40 Ų4040.3 Ų40.324%0.24221%0.212CC..EExtended strand (participates in β ladder)trans-69.6124.7173.41780000109.6L52V36-L52 HydrophobicContact CG2-CB 3.99Å; V36-L52 WeakPolarHBondContact CG2-O 3.43Å
37L93.7Very high94.1Very high38 Ų3841.1 Ų41.120%0.19922%0.219CC..EExtended strand (participates in β ladder)trans-91.4-40.6175.4-56-177000110.9S8 W10 V29 D31 R35 L108S8-L37 PolarHBondContact OG-O 3.29Å; W10-L37 HydrophobicContact CB-CB 4.13Å; W10-L37 WeakPolarHBondContact CB-O 3.31Å; W10-L37 HydrophobicContact CD2-CB 3.82Å; W10-L37 HydrophobicContact CD2-CD1 4.09Å; W10-L37 HydrophobicContact CE3-CB 4.41Å; W10-L37 HydrophobicContact CE3-CD1 4.37Å; W10-L37 HydrophobicContact CG-CB 3.66Å; W10-L37 HydrophobicContact CH2-CD1 4.11Å; W10-L37 HydrophobicContact CZ2-CD1 3.79Å; W10-L37 HydrophobicContact CZ3-CD1 4.37Å; V29-L37 HydrophobicContact CG1-CD1 4.22Å; V29-L37 PolarHBondContact O-N 3.14Å; D31-L37 HydrophobicContact CB-CD1 4.39Å; D31-L37 HydrophobicContact CB-CD2 4.29Å; D31-L37 HydrophobicContact CB-CG 4.48Å; R35-L37 PolarHBondContact O-N 2.95Å; L37-L108 HydrophobicContact CD1-CD2 3.58Å
38G94.4Very high93.8Very high3 Ų343.1 Ų43.13%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-169.2161.6176.600000112.4S11 C28 V29S11-G38 VanDerWaalsContact OG-CA 3.29Å; S11-G38 WeakPolarHBondContact OG-CA 3.21Å; C28-G38 WeakPolarHBondContact CA-O 3.5Å; V29-G38 PolarHBondContact N-O 3.3Å; V29-G38 PolarHBondContact O-N 3.36Å
39S96.2Very high93.7Very high5 Ų543.1 Ų43.14%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-156.1158.1179.359.10000111.4S11 L27 T50S11-S39 WeakPolarHBondContact CB-O 3.48Å; S11-S39 PolarHBondContact OG-N 2.94Å; S11-S39 PolarHBondContact OG-O 3.04Å; L27-S39 CarbonylContact O-C 3.52Å; L27-S39 VanDerWaalsContact O-CA 3.22Å; L27-S39 WeakPolarHBondContact O-CA 3.39Å; L27-S39 WeakPolarHBondContact O-CB 3.48Å; S39-T50 WeakPolarHBondContact OG-CA 3.38Å
40A96.4Very high93.5Very high3 Ų344.1 Ų44.13%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-150.8156.9176.400000110.6C14 R15 L18 A26 L27C14-A40 HydrophobicContact CB-CB 3.6Å; R15-A40 HydrophobicContact CB-CB 4.35Å; R15-A40 HydrophobicContact CG-CB 3.54Å; L18-A40 HydrophobicContact CD1-CB 3.7Å; A26-A40 CarbonylContact C-O 3.6Å; A26-A40 VanDerWaalsContact CA-O 3.26Å; A26-A40 WeakPolarHBondContact CA-O 3.26Å; A26-A40 WeakPolarHBondContact CB-O 3.37Å; L27-A40 PolarHBondContact N-O 3.29Å; L27-A40 PolarHBondContact O-N 2.83Å
41F97Very high93.2Very high60 Ų6050 Ų5026%0.26327%0.271SS..EExtended strand (participates in β ladder)trans-147.1153.2174.565.8-86.4000110.3V5 D25 A26 I43 F46 A47 I49 T50V5-F41 HydrophobicContact CG2-CE1 4.22Å; D25-F41 CarbonylContact O-C 3.5Å; D25-F41 WeakPolarHBondContact O-CA 3.3Å; A26-F41 HydrophobicContact CB-CB 3.73Å; F41-I43 WeakPolarHBondContact CD2-O 3.29Å; F41-F46 HydrophobicContact CB-CB 4.25Å; F41-A47 HydrophobicContact CD2-CB 4.3Å; F41-A47 HydrophobicContact CE1-CB 4.05Å; F41-A47 HydrophobicContact CE2-CB 3.79Å; F41-A47 HydrophobicContact CZ-CB 3.64Å; F41-I49 HydrophobicContact CB-CG2 4.23Å; F41-I49 HydrophobicContact CD1-CG2 4.41Å; F41-T50 HydrophobicContact CD1-CG2 3.66Å; F41-T50 HydrophobicContact CE1-CG2 3.68Å
42K95.5Very high93.1Very high87 Ų8748.6 Ų48.638%0.37826%0.263SS..SBendtrans-100.7-29176.4-61.8-177.6-172.8164.80112.9L18 S22 L24 D25L18-K42 HydrophobicContact CD1-CG 4.42Å; L18-K42 WeakPolarHBondContact O-CE 3.49Å; L18-K42 PolarHBondContact O-NZ 3.34Å; S22-K42 PolarHBondContact O-NZ 2.96Å; L24-K42 VanDerWaalsContact O-CE 3.22Å; L24-K42 WeakPolarHBondContact O-CE 3.36Å; L24-K42 PolarHBondContact O-NZ 3.02Å; D25-K42 PolarHBondContact O-N 2.93Å
43I94.3Very high93.1Very high44 Ų4447.5 Ų47.523%0.22626%0.263CS..SBendtrans-121.5142.1-174.866.8177.4000111.6D25 F41 E45 F46 M115D25-I43 HydrophobicContact CB-CD1 4.05Å; D25-I43 HydrophobicContact CB-CG1 4.17Å; F41-I43 WeakPolarHBondContact CD2-O 3.29Å; I43-E45 HydrophobicContact CD1-CB 4.04Å; I43-E45 HydrophobicContact CG1-CB 4.13Å; I43-E45 PolarHBondContact O-N 3.36Å; I43-E45 VanDerWaalsContact O-N 3.11Å; I43-F46 HydrophobicContact CD1-CD2 3.75Å; I43-F46 HydrophobicContact CD1-CE2 3.74Å; I43-F46 HydrophobicContact CG1-CD2 3.68Å; I43-F46 HydrophobicContact CG1-CE2 4.21Å; I43-F46 HydrophobicContact CG1-CG 4.3Å; I43-F46 PolarHBondContact O-N 3.05Å; I43-M115 HydrophobicContact CD1-CB 3.96Å; I43-M115 HydrophobicContact CD1-SD 3.93Å
44P93.5Very high93.2Very high114 Ų11448 Ų4874%0.7426%0.256SS*.G310 helixtrans-56.7-29.2-178.3-27.235.1000114.7F46 A47P44-F46 PolarHBondContact O-N 3.39Å; P44-F46 VanDerWaalsContact O-N 3.11Å; P44-A47 VanDerWaalsContact O-CB 3.24Å; P44-A47 WeakPolarHBondContact O-CB 3.48Å; P44-A47 PolarHBondContact O-N 3.33Å
45E94.1Very high93.2Very high103 Ų10353.7 Ų53.748%0.48129%0.286SS..G310 helixtrans-54.3-29.3177.1-16765.6-159.500112.8I43 K98 M115I43-E45 HydrophobicContact CD1-CB 4.04Å; I43-E45 HydrophobicContact CG1-CB 4.13Å; I43-E45 PolarHBondContact O-N 3.36Å; I43-E45 VanDerWaalsContact O-N 3.11Å; E45-K98 WeakPolarHBondContact OE1-CE 3.42Å; E45-K98 IonicContact OE1-NZ 2.99Å; E45-K98 PolarHBondContact OE1-NZ 2.9Å; E45-M115 HydrophobicContact CG-SD 4.21Å
46F95.7Very high93.1Very high3 Ų348.7 Ų48.71%0.01327%0.27CS..G310 helixtrans-106.311.5179.7-61.5-39.1000113.7D25 A26 F41 I43 P44 S48 I49 K98 L113 M115D25-F46 HydrophobicContact CB-CD2 3.66Å; D25-F46 HydrophobicContact CB-CE2 3.62Å; A26-F46 HydrophobicContact CB-CB 3.66Å; A26-F46 HydrophobicContact CB-CD2 4.11Å; A26-F46 HydrophobicContact CB-CG 4.17Å; F41-F46 HydrophobicContact CB-CB 4.25Å; I43-F46 HydrophobicContact CD1-CD2 3.75Å; I43-F46 HydrophobicContact CD1-CE2 3.74Å; I43-F46 HydrophobicContact CG1-CD2 3.68Å; I43-F46 HydrophobicContact CG1-CE2 4.21Å; I43-F46 HydrophobicContact CG1-CG 4.3Å; I43-F46 PolarHBondContact O-N 3.05Å; P44-F46 PolarHBondContact O-N 3.39Å; P44-F46 VanDerWaalsContact O-N 3.11Å; F46-S48 PolarHBondContact O-N 2.98Å; F46-S48 VanDerWaalsContact O-N 3.1Å; F46-I49 VanDerWaalsContact O-CB 3.3Å; F46-I49 WeakPolarHBondContact O-CB 3.39Å; F46-I49 WeakPolarHBondContact O-CG2 3.39Å; F46-I49 PolarHBondContact O-N 3.17Å; F46-K98 HydrophobicContact CE1-CD 4.1Å; F46-K98 HydrophobicContact CE1-CG 4.1Å; F46-K98 HydrophobicContact CZ-CB 4.46Å; F46-K98 HydrophobicContact CZ-CG 4.13Å; F46-L113 HydrophobicContact CB-CD1 4.14Å; F46-L113 HydrophobicContact CD1-CB 4.22Å; F46-L113 HydrophobicContact CD1-CD1 3.6Å; F46-L113 HydrophobicContact CD1-CG 4.4Å; F46-L113 HydrophobicContact CD2-CB 3.9Å; F46-L113 HydrophobicContact CD2-CD1 4.44Å; F46-L113 HydrophobicContact CE1-CB 4.09Å; F46-L113 HydrophobicContact CE1-CD1 4.05Å; F46-L113 HydrophobicContact CE1-CD2 4.38Å; F46-L113 HydrophobicContact CE1-CG 4.42Å; F46-L113 HydrophobicContact CE2-CB 3.78Å; F46-L113 HydrophobicContact CG-CB 4.12Å; F46-L113 HydrophobicContact CG-CD1 3.82Å; F46-L113 HydrophobicContact CZ-CB 3.87Å; F46-M115 HydrophobicContact CE2-CB 3.97Å; F46-M115 HydrophobicContact CZ-CB 3.98Å
47A94.1Very high93Very high18 Ų1846.8 Ų46.815%0.14926%0.258CS..G310 helixtrans-57-31.6-178.600000113.1F41 P44 I49 T50F41-A47 HydrophobicContact CD2-CB 4.3Å; F41-A47 HydrophobicContact CE1-CB 4.05Å; F41-A47 HydrophobicContact CE2-CB 3.79Å; F41-A47 HydrophobicContact CZ-CB 3.64Å; P44-A47 VanDerWaalsContact O-CB 3.24Å; P44-A47 WeakPolarHBondContact O-CB 3.48Å; P44-A47 PolarHBondContact O-N 3.33Å; A47-I49 PolarHBondContact O-N 2.8Å; A47-I49 VanDerWaalsContact O-N 3.15Å; A47-T50 PolarHBondContact O-N 3.48Å; A47-T50 PolarHBondContact O-OG1 3.2Å
48S93.1Very high92.8Very high42 Ų4252.2 Ų52.229%0.29428%0.276SS..G310 helixtrans-64-15.2178.153.50000114.1F46 T50 N51 L77F46-S48 PolarHBondContact O-N 2.98Å; F46-S48 VanDerWaalsContact O-N 3.1Å; S48-T50 PolarHBondContact O-N 3.07Å; S48-N51 PolarHBondContact O-N 2.77Å; S48-L77 WeakPolarHBondContact OG-CD2 3.3Å
49I93.7Very high92.6Very high0 Ų054.4 Ų54.40%029%0.293CS..G310 helixtrans-57.6-29.3173.5-154.6178.6000111.8A26 C28 F41 F46 A47 N51 L52 L77 L113A26-I49 HydrophobicContact CB-CD1 3.76Å; A26-I49 HydrophobicContact CB-CG2 4.15Å; C28-I49 HydrophobicContact CB-CD1 3.67Å; C28-I49 HydrophobicContact CB-CG1 3.78Å; F41-I49 HydrophobicContact CB-CG2 4.23Å; F41-I49 HydrophobicContact CD1-CG2 4.41Å; F46-I49 VanDerWaalsContact O-CB 3.3Å; F46-I49 WeakPolarHBondContact O-CB 3.39Å; F46-I49 WeakPolarHBondContact O-CG2 3.39Å; F46-I49 PolarHBondContact O-N 3.17Å; A47-I49 PolarHBondContact O-N 2.8Å; A47-I49 VanDerWaalsContact O-N 3.15Å; I49-N51 PolarHBondContact O-N 3.21Å; I49-L52 HydrophobicContact CG1-CD1 3.64Å; I49-L52 HydrophobicContact CG1-CG 4.28Å; I49-L52 WeakPolarHBondContact O-CG 3.19Å; I49-L52 PolarHBondContact O-N 2.77Å; I49-L77 HydrophobicContact CB-CD1 4.11Å; I49-L77 HydrophobicContact CG1-CD1 4.42Å; I49-L113 HydrophobicContact CD1-CD1 3.94Å; I49-L113 HydrophobicContact CG1-CD1 4.42Å
50T91Very high92.3Very high21 Ų2154.3 Ų54.313%0.12929%0.293CS..G310 helixtrans-70.2-13.3179.460.60000114.1V5 S39 F41 A47 S48V5-T50 HydrophobicContact CG1-CG2 4.05Å; V5-T50 HydrophobicContact CG2-CG2 4.04Å; S39-T50 WeakPolarHBondContact OG-CA 3.38Å; F41-T50 HydrophobicContact CD1-CG2 3.66Å; F41-T50 HydrophobicContact CE1-CG2 3.68Å; A47-T50 PolarHBondContact O-N 3.48Å; A47-T50 PolarHBondContact O-OG1 3.2Å; S48-T50 PolarHBondContact O-N 3.07Å
51N89.5Confident91.9Very high124 Ų12457.2 Ų57.266%0.66330%0.303SS*.G310 helixtrans-116.422.9-179.7-60.7-60.6000111.7S48 I49 S53S48-N51 PolarHBondContact O-N 2.77Å; I49-N51 PolarHBondContact O-N 3.21Å; N51-S53 PolarHBondContact O-N 3.23Å
52L91.1Very high91.4Very high12 Ų1258.4 Ų58.46%0.06331%0.311CS..  trans-57.7124.5177.1-82.1173.2000110.9C28 V36 I49 Q56 F76 L77C28-L52 HydrophobicContact CB-CD1 3.98Å; V36-L52 HydrophobicContact CG2-CB 3.99Å; V36-L52 WeakPolarHBondContact CG2-O 3.43Å; I49-L52 HydrophobicContact CG1-CD1 3.64Å; I49-L52 HydrophobicContact CG1-CG 4.28Å; I49-L52 WeakPolarHBondContact O-CG 3.19Å; I49-L52 PolarHBondContact O-N 2.77Å; L52-Q56 HydrophobicContact CD2-CB 4.31Å; L52-F76 HydrophobicContact CD1-CE2 4.33Å; L52-F76 HydrophobicContact CD1-CZ 3.89Å; L52-F76 HydrophobicContact CD2-CD2 4.44Å; L52-F76 HydrophobicContact CD2-CE2 3.54Å; L52-F76 HydrophobicContact CD2-CZ 3.67Å; L52-F76 HydrophobicContact CG-CZ 4.4Å; L52-L77 HydrophobicContact CD2-CD2 3.64Å; L52-L77 HydrophobicContact CD2-CG 4.45Å; L52-L77 HydrophobicContact CG-CD2 4.31Å
53S88.4Confident91Very high50 Ų5056 Ų5635%0.3530%0.304SS..  trans-82151.8176.166.90000111.5N51 N55 Q56 V57N51-S53 PolarHBondContact O-N 3.23Å; S53-N55 PolarHBondContact O-N 3.13Å; S53-N55 VanDerWaalsContact O-N 3.15Å; S53-Q56 PolarHBondContact O-N 3.19Å; S53-Q56 WeakPolarHBondContact OG-CG 3.16Å; S53-Q56 PolarHBondContact OG-N 2.94Å; S53-Q56 PolarHBondContact OG-OE1 2.88Å; S53-V57 PolarHBondContact O-N 3.24Å; S53-V57 VanDerWaalsContact O-N 3.16Å
54T90.4Very high90.7Very high68 Ų6854 Ų5442%0.41729%0.294SS..Hα-helixtrans-53.5-34.7171.6-60.80000112.5S34 R58S34-T54 VanDerWaalsContact O-CA 3.22Å; S34-T54 WeakPolarHBondContact O-CA 3.43Å; S34-T54 WeakPolarHBondContact O-CB 3.48Å; S34-T54 WeakPolarHBondContact O-CG2 3.33Å; S34-T54 PolarHBondContact O-OG1 3.1Å; S34-T54 VanDerWaalsContact O-OG1 3.14Å; T54-R58 VanDerWaalsContact O-CB 3.24Å; T54-R58 WeakPolarHBondContact O-CB 3.18Å; T54-R58 PolarHBondContact O-N 2.99Å
55N89.8Confident90.3Very high124 Ų12452.1 Ų52.166%0.66329%0.288SS*.Hα-helixtrans-68.1-39177.7-71.5-20.4000112.6S53 R58 A59S53-N55 PolarHBondContact O-N 3.13Å; S53-N55 VanDerWaalsContact O-N 3.15Å; N55-R58 PolarHBondContact O-N 2.71Å; N55-A59 VanDerWaalsContact O-CB 3.31Å; N55-A59 WeakPolarHBondContact O-CB 3.34Å; N55-A59 PolarHBondContact O-N 3.15Å
56Q90.2Very high89.8Confident64 Ų6455.1 Ų55.130%0.29930%0.299SS..Hα-helixtrans-64.2-48.2175.3-75.5167.7-61.100110.7L52 S53 R58 A59 I60L52-Q56 HydrophobicContact CD2-CB 4.31Å; S53-Q56 PolarHBondContact O-N 3.19Å; S53-Q56 WeakPolarHBondContact OG-CG 3.16Å; S53-Q56 PolarHBondContact OG-N 2.94Å; S53-Q56 PolarHBondContact OG-OE1 2.88Å; Q56-R58 VanDerWaalsContact C-N 3.34Å; Q56-R58 PolarHBondContact O-N 3.19Å; Q56-A59 WeakPolarHBondContact O-CB 3.35Å; Q56-A59 PolarHBondContact O-N 2.86Å; Q56-I60 WeakPolarHBondContact O-CG1 3.31Å; Q56-I60 PolarHBondContact O-N 3.09Å; Q56-I60 VanDerWaalsContact O-N 3.14Å
57V91.4Very high89Confident0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-59.8-45.2177.7175.20000111.1C30 S53 A59 I60 R61 F111C30-V57 HydrophobicContact CB-CG1 4.08Å; S53-V57 PolarHBondContact O-N 3.24Å; S53-V57 VanDerWaalsContact O-N 3.16Å; V57-A59 PolarHBondContact O-N 2.81Å; V57-I60 PolarHBondContact O-N 2.74Å; V57-R61 PolarHBondContact O-N 3.31Å; V57-R61 VanDerWaalsContact O-N 3.1Å; V57-F111 HydrophobicContact CB-CE2 4.37Å; V57-F111 HydrophobicContact CB-CZ 4.28Å; V57-F111 HydrophobicContact CG1-CE2 3.81Å; V57-F111 HydrophobicContact CG1-CZ 3.95Å; V57-F111 HydrophobicContact CG2-CE2 4.02Å; V57-F111 HydrophobicContact CG2-CZ 4.19Å
58R90Very high87.8Confident151 Ų15158.4 Ų58.457%0.5733%0.328SS*.Hα-helixtrans-62.4-40.5177.2-175.7176.7179.2169.50.9112.2T54 N55 Q56 I60 R61 L62T54-R58 VanDerWaalsContact O-CB 3.24Å; T54-R58 WeakPolarHBondContact O-CB 3.18Å; T54-R58 PolarHBondContact O-N 2.99Å; N55-R58 PolarHBondContact O-N 2.71Å; Q56-R58 VanDerWaalsContact C-N 3.34Å; Q56-R58 PolarHBondContact O-N 3.19Å; R58-I60 VanDerWaalsContact C-N 3.34Å; R58-I60 PolarHBondContact O-N 2.82Å; R58-R61 PolarHBondContact O-N 3.15Å; R58-L62 HydrophobicContact CG-CD1 4.2Å; R58-L62 HydrophobicContact CG-CG 4.43Å; R58-L62 WeakPolarHBondContact O-CB 3.3Å; R58-L62 VanDerWaalsContact O-CG 3.3Å; R58-L62 WeakPolarHBondContact O-CG 3.38Å; R58-L62 PolarHBondContact O-N 3.32Å
59A88.5Confident86.6Confident49 Ų4963.5 Ų63.541%0.40536%0.358SS..Hα-helixtrans-60.5-44.9178.100000111.2N55 Q56 V57 L62 V63N55-A59 VanDerWaalsContact O-CB 3.31Å; N55-A59 WeakPolarHBondContact O-CB 3.34Å; N55-A59 PolarHBondContact O-N 3.15Å; Q56-A59 WeakPolarHBondContact O-CB 3.35Å; Q56-A59 PolarHBondContact O-N 2.86Å; V57-A59 PolarHBondContact O-N 2.81Å; A59-L62 PolarHBondContact O-N 2.87Å; A59-V63 WeakPolarHBondContact O-CG2 3.28Å; A59-V63 PolarHBondContact O-N 3.43Å
60I90.3Very high85.7Confident3 Ų371.3 Ų71.32%0.01539%0.394CS..Hα-helixtrans-62.1-46.3176.8-58.1-54000111.7Q56 V57 R58 L62 V63 M64 I74 F76 V102 F111Q56-I60 WeakPolarHBondContact O-CG1 3.31Å; Q56-I60 PolarHBondContact O-N 3.09Å; Q56-I60 VanDerWaalsContact O-N 3.14Å; V57-I60 PolarHBondContact O-N 2.74Å; R58-I60 VanDerWaalsContact C-N 3.34Å; R58-I60 PolarHBondContact O-N 2.82Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 2.88Å; I60-V63 WeakPolarHBondContact O-CA 3.33Å; I60-V63 WeakPolarHBondContact O-CB 3.38Å; I60-V63 PolarHBondContact O-N 2.68Å; I60-M64 HydrophobicContact CG2-SD 4.27Å; I60-M64 WeakPolarHBondContact O-CG 3.43Å; I60-M64 PolarHBondContact O-N 3.14Å; I60-I74 HydrophobicContact CD1-CB 4.48Å; I60-I74 HydrophobicContact CD1-CD1 4.5Å; I60-I74 HydrophobicContact CD1-CG2 3.07Å; I60-F76 HydrophobicContact CD1-CD2 4.2Å; I60-F76 HydrophobicContact CG1-CD2 4.12Å; I60-F76 HydrophobicContact CG1-CE2 4.43Å; I60-V102 HydrophobicContact CG2-CG2 3.79Å; I60-F111 HydrophobicContact CB-CE1 4.07Å; I60-F111 HydrophobicContact CB-CZ 4.26Å; I60-F111 HydrophobicContact CG1-CE1 3.97Å; I60-F111 HydrophobicContact CG1-CZ 4.47Å; I60-F111 HydrophobicContact CG2-CE1 3.99Å; I60-F111 HydrophobicContact CG2-CZ 4.41Å
61R88.7Confident85.2Confident65 Ų6577 Ų7725%0.24542%0.417CS..Hα-helixtrans-62-36.4177.5-70.2-176.168.6-147.48.4112.9H32 V57 R58 V63 M64 A65H32-R61 PolarHBondContact O-NH1 3.35Å; V57-R61 PolarHBondContact O-N 3.31Å; V57-R61 VanDerWaalsContact O-N 3.1Å; R58-R61 PolarHBondContact O-N 3.15Å; R61-V63 VanDerWaalsContact C-N 3.31Å; R61-M64 PolarHBondContact O-N 2.77Å; R61-A65 WeakPolarHBondContact O-CB 3.37Å; R61-A65 PolarHBondContact O-N 3Å
62L86.9Confident85Confident84 Ų8473.2 Ų73.244%0.4440%0.399SS..Hα-helixtrans-66.5-34.3174.3-74.9172.3000112.2R58 A59 I60 K66R58-L62 HydrophobicContact CG-CD1 4.2Å; R58-L62 HydrophobicContact CG-CG 4.43Å; R58-L62 WeakPolarHBondContact O-CB 3.3Å; R58-L62 VanDerWaalsContact O-CG 3.3Å; R58-L62 WeakPolarHBondContact O-CG 3.38Å; R58-L62 PolarHBondContact O-N 3.32Å; A59-L62 PolarHBondContact O-N 2.87Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 2.88Å; L62-K66 WeakPolarHBondContact O-CB 3.38Å; L62-K66 VanDerWaalsContact O-CG 3.29Å; L62-K66 WeakPolarHBondContact O-CG 3.41Å; L62-K66 PolarHBondContact O-N 2.77Å
63V86.4Confident85Confident38 Ų3876.1 Ų76.123%0.2341%0.414CS..Hα-helixtrans-64.6-51.9171.9176.30000109.2A59 I60 R61 A65 K66 I67 P72 I74A59-V63 WeakPolarHBondContact O-CG2 3.28Å; A59-V63 PolarHBondContact O-N 3.43Å; I60-V63 WeakPolarHBondContact O-CA 3.33Å; I60-V63 WeakPolarHBondContact O-CB 3.38Å; I60-V63 PolarHBondContact O-N 2.68Å; R61-V63 VanDerWaalsContact C-N 3.31Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.94Å; V63-K66 CarbonylContact O-C 3.52Å; V63-K66 PolarHBondContact O-N 2.99Å; V63-I67 HydrophobicContact CG1-CD1 4.01Å; V63-I67 HydrophobicContact CG1-CG1 4.17Å; V63-I67 VanDerWaalsContact O-CG1 3.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.4Å; V63-I67 PolarHBondContact O-N 2.61Å; V63-P72 HydrophobicContact CG1-CG 3.5Å; V63-P72 VanDerWaalsContact CG1-CG 3.5Å; V63-I74 HydrophobicContact CB-CD1 4.26Å; V63-I74 HydrophobicContact CG1-CD1 3.71Å; V63-I74 HydrophobicContact CG1-CG1 4.08Å; V63-I74 HydrophobicContact CG2-CG1 4.42Å
64M88.7Confident85.2Confident1 Ų174 Ų741%0.00540%0.399CS..Hα-helixtrans-52.4-47.6177.3-66.1174.768.600112.9I60 R61 K66 I67 E89 L91 V102 L104I60-M64 HydrophobicContact CG2-SD 4.27Å; I60-M64 WeakPolarHBondContact O-CG 3.43Å; I60-M64 PolarHBondContact O-N 3.14Å; R61-M64 PolarHBondContact O-N 2.77Å; M64-K66 PolarHBondContact O-N 2.8Å; M64-K66 VanDerWaalsContact O-N 3.15Å; M64-I67 PolarHBondContact O-N 3.02Å; M64-E89 VanDerWaalsContact CE-C 3.5Å; M64-L91 HydrophobicContact CE-CB 4.27Å; M64-L91 HydrophobicContact CG-CB 3.94Å; M64-L91 HydrophobicContact CG-CD1 3.82Å; M64-L91 HydrophobicContact SD-CB 4.07Å; M64-V102 HydrophobicContact CE-CG1 4.3Å; M64-V102 HydrophobicContact SD-CB 3.96Å; M64-V102 HydrophobicContact SD-CG1 3.64Å; M64-L104 HydrophobicContact CE-CD1 4.04Å; M64-L104 HydrophobicContact CE-CD2 4.47Å; M64-L104 HydrophobicContact CE-CG 3.85Å
65A85.2Confident85.3Confident74 Ų7476.7 Ų76.761%0.61241%0.411SS*.THydrogen-bonded Turntrans-66.7-15178.800000114.7R61 V63R61-A65 WeakPolarHBondContact O-CB 3.37Å; R61-A65 PolarHBondContact O-N 3Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.94Å
66K83.6Confident85.4Confident167 Ų16770.9 Ų70.973%0.72638%0.38SS*.THydrogen-bonded Turntrans-113.85.1-178.6-68.1-178.2-179.2-174.90113.1L62 V63 M64 G68L62-K66 WeakPolarHBondContact O-CB 3.38Å; L62-K66 VanDerWaalsContact O-CG 3.29Å; L62-K66 WeakPolarHBondContact O-CG 3.41Å; L62-K66 PolarHBondContact O-N 2.77Å; V63-K66 CarbonylContact O-C 3.52Å; V63-K66 PolarHBondContact O-N 2.99Å; M64-K66 PolarHBondContact O-N 2.8Å; M64-K66 VanDerWaalsContact O-N 3.15Å; K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 3.26Å
67I77.2Confident85.5Confident32 Ų3268.6 Ų68.616%0.16437%0.37CS..  trans-68.795.1177.1-76.9156.8000108V63 M64 A86 L91V63-I67 HydrophobicContact CG1-CD1 4.01Å; V63-I67 HydrophobicContact CG1-CG1 4.17Å; V63-I67 VanDerWaalsContact O-CG1 3.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.4Å; V63-I67 PolarHBondContact O-N 2.61Å; M64-I67 PolarHBondContact O-N 3.02Å; I67-A86 HydrophobicContact CD1-CB 3.2Å; I67-A86 HydrophobicContact CG1-CB 4.26Å; I67-A86 HydrophobicContact CG2-CB 4.13Å; I67-L91 HydrophobicContact CD1-CD1 3.87Å
68G69.3Low85.4Confident58 Ų5876.2 Ų76.260%0.59841%0.411SS*.SBendtrans-87.3-133.2161.400000109.4K66 Q70K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 3.26Å; G68-Q70 VanDerWaalsContact C-N 3.33Å; G68-Q70 PolarHBondContact O-N 2.82Å
69T67.5Low85.6Confident149 Ų14971 Ų7191%0.91439%0.394SS*.SBendtrans-81.1-9.7-178.652.50000114.5
70Q75.5Confident85.9Confident163 Ų16376.1 Ų76.176%0.76240%0.403SS*.  trans-92.7132.5179.8-65.6-173.9-13.400110.4G68 P72G68-Q70 VanDerWaalsContact C-N 3.33Å; G68-Q70 PolarHBondContact O-N 2.82Å; Q70-P72 WeakPolarHBondContact O-CD 3.26Å
71K80Confident86.1Confident142 Ų14276 Ų7662%0.61740%0.402SS*.  trans-92.897.5171.5-65.3-174.2-177.5-171.60108.9V83 V84K71-V83 HydrophobicContact CB-CB 4.38Å; K71-V83 WeakPolarHBondContact CD-O 3.37Å; K71-V84 WeakPolarHBondContact CE-O 3.26Å; K71-V84 PolarHBondContact NZ-O 3Å
72P86.2Confident86.4Confident44 Ų4476.6 Ų76.629%0.28641%0.413SS..  trans-73.6165.6-175.931.8-35.5000111.3V63 Q70 V83V63-P72 HydrophobicContact CG1-CG 3.5Å; V63-P72 VanDerWaalsContact CG1-CG 3.5Å; Q70-P72 WeakPolarHBondContact O-CD 3.26Å; P72-V83 HydrophobicContact CG-CG2 4.2Å; P72-V83 WeakPolarHBondContact O-CB 3.35Å; P72-V83 VanDerWaalsContact O-CG2 3.25Å; P72-V83 WeakPolarHBondContact O-CG2 3.3Å; P72-V83 PolarHBondContact O-N 3.14Å
73N90.5Very high86.7Confident72 Ų7272.8 Ų72.839%0.38539%0.393SS..EExtended strand (participates in β ladder)trans-87.9146.4161.1-63.3-35.5000109.2R80 F81 V82N73-R80 HydrophobicContact CB-CG 4.03Å; N73-R80 PolarHBondContact ND2-NH2 3.47Å; N73-F81 CarbonylContact C-O 3.5Å; N73-F81 VanDerWaalsContact CA-O 3.23Å; N73-F81 WeakPolarHBondContact CA-O 3.19Å; N73-V82 WeakPolarHBondContact OD1-CG2 3.48Å
74I92Very high87Confident7 Ų774 Ų744%0.03640%0.4CS..EExtended strand (participates in β ladder)trans-128.2130.1-176.9-65.1-179.8000108.8I60 V63 F76 R80 F81 V83 L91I60-I74 HydrophobicContact CD1-CB 4.48Å; I60-I74 HydrophobicContact CD1-CD1 4.5Å; I60-I74 HydrophobicContact CD1-CG2 3.07Å; V63-I74 HydrophobicContact CB-CD1 4.26Å; V63-I74 HydrophobicContact CG1-CD1 3.71Å; V63-I74 HydrophobicContact CG1-CG1 4.08Å; V63-I74 HydrophobicContact CG2-CG1 4.42Å; I74-F76 HydrophobicContact CG2-CB 4.49Å; I74-R80 CarbonylContact O-C 3.53Å; I74-F81 PolarHBondContact N-O 3.24Å; I74-F81 PolarHBondContact O-N 3.43Å; I74-V83 HydrophobicContact CD1-CG2 3.41Å; I74-V83 VanDerWaalsContact CD1-CG2 3.41Å; I74-V83 HydrophobicContact CG1-CG2 3.88Å; I74-L91 HydrophobicContact CD1-CD1 3.48Å; I74-L91 VanDerWaalsContact CD1-CD1 3.48Å; I74-L91 HydrophobicContact CD1-CD2 4.19Å; I74-L91 HydrophobicContact CD1-CG 4.45Å
75D92.5Very high87.1Confident123 Ų12377.7 Ų77.766%0.65842%0.42SS*.EExtended strand (participates in β ladder)trans-91.2121.4172.1-59.9-39.2000109.7D79 R80D75-D79 WeakPolarHBondContact CA-O 3.18Å; D75-R80 WeakPolarHBondContact OD1-CB 3.43Å; D75-R80 WeakPolarHBondContact OD1-CG 3.44Å
76F93.2Very high87.4Confident2 Ų274.9 Ų74.91%0.00940%0.397CS..EExtended strand (participates in β ladder)trans-145.7129.6-178.1-170.6-103.8000110.3L52 I60 I74 N78 D79 F81 L100 F111 L113L52-F76 HydrophobicContact CD1-CE2 4.33Å; L52-F76 HydrophobicContact CD1-CZ 3.89Å; L52-F76 HydrophobicContact CD2-CD2 4.44Å; L52-F76 HydrophobicContact CD2-CE2 3.54Å; L52-F76 HydrophobicContact CD2-CZ 3.67Å; L52-F76 HydrophobicContact CG-CZ 4.4Å; I60-F76 HydrophobicContact CD1-CD2 4.2Å; I60-F76 HydrophobicContact CG1-CD2 4.12Å; I60-F76 HydrophobicContact CG1-CE2 4.43Å; I74-F76 HydrophobicContact CG2-CB 4.49Å; F76-N78 PolarHBondContact O-N 3.29Å; F76-N78 VanDerWaalsContact O-N 3.16Å; F76-D79 PolarHBondContact N-O 3Å; F76-D79 PolarHBondContact O-N 2.87Å; F76-F81 HydrophobicContact CB-CD2 4.02Å; F76-F81 HydrophobicContact CB-CE2 4.1Å; F76-F81 HydrophobicContact CD1-CE2 4.44Å; F76-L100 HydrophobicContact CB-CD2 3.92Å; F76-L100 HydrophobicContact CD1-CD1 3.75Å; F76-L100 HydrophobicContact CD1-CD2 3.94Å; F76-L100 HydrophobicContact CD1-CG 4.41Å; F76-L100 HydrophobicContact CE1-CD1 3.62Å; F76-L100 HydrophobicContact CG-CD1 4.37Å; F76-L100 HydrophobicContact CG-CD2 3.88Å; F76-L100 HydrophobicContact CZ-CD1 4.15Å; F76-F111 AromaticContact CE2-CD1 3.95Å; F76-F111 HydrophobicContact CE2-CD1 3.95Å; F76-F111 AromaticContact CE2-CE1 3.96Å; F76-F111 HydrophobicContact CE2-CE1 3.96Å; F76-F111 AromaticContact CZ-CD1 3.76Å; F76-F111 HydrophobicContact CZ-CD1 3.76Å; F76-F111 HydrophobicContact CZ-CE1 4.26Å; F76-F111 HydrophobicContact CZ-CG 4.48Å; F76-L113 HydrophobicContact CD1-CD2 4.29Å; F76-L113 HydrophobicContact CE1-CD1 4.19Å; F76-L113 HydrophobicContact CE1-CD2 4.06Å; F76-L113 HydrophobicContact CE1-CG 4.43Å
77L91.1Very high87.6Confident16 Ų1670.3 Ų70.38%0.08438%0.38CS..THydrogen-bonded Turntrans47.740.1-177-59.3-175.7000114.6S48 I49 L52 D79 L113S48-L77 WeakPolarHBondContact OG-CD2 3.3Å; I49-L77 HydrophobicContact CB-CD1 4.11Å; I49-L77 HydrophobicContact CG1-CD1 4.42Å; L52-L77 HydrophobicContact CD2-CD2 3.64Å; L52-L77 HydrophobicContact CD2-CG 4.45Å; L52-L77 HydrophobicContact CG-CD2 4.31Å; L77-D79 PolarHBondContact O-N 3.31Å; L77-L113 HydrophobicContact CD1-CD1 3.53Å
78N89.5Confident88.1Confident161 Ų16174.1 Ų74.186%0.86140%0.401SS*.THydrogen-bonded Turntrans722.8-178.1-45.5-54.1000116F76F76-N78 PolarHBondContact O-N 3.29Å; F76-N78 VanDerWaalsContact O-N 3.16Å
79D93.7Very high89.2Confident40 Ų4077.9 Ų77.921%0.21440%0.403CS..EExtended strand (participates in β ladder)trans-103.6148.5171.2-59.8-70000110.7D75 F76 L77 F81 K98D75-D79 WeakPolarHBondContact CA-O 3.18Å; F76-D79 PolarHBondContact N-O 3Å; F76-D79 PolarHBondContact O-N 2.87Å; L77-D79 PolarHBondContact O-N 3.31Å; D79-F81 HydrophobicContact CB-CD2 4.14Å; D79-F81 HydrophobicContact CB-CE2 3.64Å; D79-F81 HydrophobicContact CB-CZ 4.29Å; D79-K98 IonicContact OD1-NZ 2.64Å; D79-K98 PolarHBondContact OD1-NZ 2.92Å; D79-K98 WeakPolarHBondContact OD2-CD 3.22Å; D79-K98 WeakPolarHBondContact OD2-CE 3.28Å; D79-K98 IonicContact OD2-NZ 2.7Å; D79-K98 PolarHBondContact OD2-NZ 2.78Å
80R95Very high90.4Very high157 Ų15771.3 Ų71.359%0.59236%0.362SS*.EExtended strand (participates in β ladder)trans-95.3113.6171.1-171173-165.1-168.62.4109.5N73 I74 D75 S95N73-R80 HydrophobicContact CB-CG 4.03Å; N73-R80 PolarHBondContact ND2-NH2 3.47Å; I74-R80 CarbonylContact O-C 3.53Å; D75-R80 WeakPolarHBondContact OD1-CB 3.43Å; D75-R80 WeakPolarHBondContact OD1-CG 3.44Å; R80-S95 VanDerWaalsContact O-CB 3.28Å; R80-S95 WeakPolarHBondContact O-CB 3.28Å; R80-S95 PolarHBondContact O-OG 3.42Å
81F95.8Very high91.3Very high1 Ų163.5 Ų63.50%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-96.5140.1178-72.4-97.1000111.2N73 I74 F76 D79 A93 K94 K98 L100 L113N73-F81 CarbonylContact C-O 3.5Å; N73-F81 VanDerWaalsContact CA-O 3.23Å; N73-F81 WeakPolarHBondContact CA-O 3.19Å; I74-F81 PolarHBondContact N-O 3.24Å; I74-F81 PolarHBondContact O-N 3.43Å; F76-F81 HydrophobicContact CB-CD2 4.02Å; F76-F81 HydrophobicContact CB-CE2 4.1Å; F76-F81 HydrophobicContact CD1-CE2 4.44Å; D79-F81 HydrophobicContact CB-CD2 4.14Å; D79-F81 HydrophobicContact CB-CE2 3.64Å; D79-F81 HydrophobicContact CB-CZ 4.29Å; F81-A93 HydrophobicContact CB-CB 3.73Å; F81-A93 HydrophobicContact CD1-CB 4.25Å; F81-A93 HydrophobicContact CG-CB 4.38Å; F81-K94 WeakPolarHBondContact CA-O 3.22Å; F81-K98 HydrophobicContact CE1-CB 3.91Å; F81-K98 HydrophobicContact CZ-CB 3.95Å; F81-L100 HydrophobicContact CD1-CB 3.66Å; F81-L100 HydrophobicContact CD2-CD2 4.37Å; F81-L100 HydrophobicContact CE1-CB 3.62Å; F81-L100 HydrophobicContact CE2-CB 4.47Å; F81-L100 HydrophobicContact CG-CB 4.15Å; F81-L100 HydrophobicContact CG-CD2 4.36Å; F81-L100 HydrophobicContact CZ-CB 4.05Å; F81-L113 HydrophobicContact CZ-CD2 4.38Å
82V94.1Very high92.1Very high78 Ų7856.9 Ų56.947%0.47330%0.297SS..EExtended strand (participates in β ladder)trans-95.4122.6169.5-173.10000108N73 V84 A93 K94N73-V82 WeakPolarHBondContact OD1-CG2 3.48Å; V82-V84 PolarHBondContact O-N 3.21Å; V82-A93 CarbonylContact O-C 3.55Å; V82-A93 WeakPolarHBondContact O-CA 3.4Å; V82-A93 WeakPolarHBondContact O-CB 3.45Å; V82-K94 PolarHBondContact N-O 2.82Å; V82-K94 PolarHBondContact O-N 2.89Å
83V93.3Very high92.6Very high4 Ų454.8 Ų54.82%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-63.6124.2176.4174.60000109.5K71 P72 I74 A86 L91 A93K71-V83 HydrophobicContact CB-CB 4.38Å; K71-V83 WeakPolarHBondContact CD-O 3.37Å; P72-V83 HydrophobicContact CG-CG2 4.2Å; P72-V83 WeakPolarHBondContact O-CB 3.35Å; P72-V83 VanDerWaalsContact O-CG2 3.25Å; P72-V83 WeakPolarHBondContact O-CG2 3.3Å; P72-V83 PolarHBondContact O-N 3.14Å; I74-V83 HydrophobicContact CD1-CG2 3.41Å; I74-V83 VanDerWaalsContact CD1-CG2 3.41Å; I74-V83 HydrophobicContact CG1-CG2 3.88Å; V83-A86 HydrophobicContact CG1-CB 3.77Å; V83-L91 HydrophobicContact CG2-CD1 4.08Å; V83-L91 HydrophobicContact CG2-CG 4.47Å; V83-A93 HydrophobicContact CG2-CB 4.4Å
84V93Very high92.9Very high63 Ų6353.9 Ų53.938%0.38228%0.276SS..EExtended strand (participates in β ladder)trans-91.4-49.3178.1175.80000109.8K71 V82 S92 K94K71-V84 WeakPolarHBondContact CE-O 3.26Å; K71-V84 PolarHBondContact NZ-O 3Å; V82-V84 PolarHBondContact O-N 3.21Å; V84-S92 PolarHBondContact N-O 3.37Å; V84-K94 HydrophobicContact CG2-CB 4.31Å; V84-K94 HydrophobicContact CG2-CG 3.98Å
85D91.2Very high93.1Very high78 Ų7854.9 Ų54.942%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-148.1143.7177.7-170.324.2000109.1S92D85-S92 WeakPolarHBondContact CB-OG 3.41Å; D85-S92 PolarHBondContact N-O 2.86Å; D85-S92 PolarHBondContact N-OG 3.03Å; D85-S92 PolarHBondContact O-N 2.88Å; D85-S92 PolarHBondContact O-OG 2.85Å; D85-S92 VanDerWaalsContact O-OG 3.09Å
86A90.7Very high93.2Very high16 Ų1652.4 Ų52.413%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-166.5155.117700000111.8I67 V83 M90 L91I67-A86 HydrophobicContact CD1-CB 3.2Å; I67-A86 HydrophobicContact CG1-CB 4.26Å; I67-A86 HydrophobicContact CG2-CB 4.13Å; V83-A86 HydrophobicContact CG1-CB 3.77Å; A86-M90 CarbonylContact C-O 3.55Å; A86-M90 VanDerWaalsContact CA-O 3.26Å; A86-M90 WeakPolarHBondContact CA-O 3.36Å; A86-L91 HydrophobicContact CB-CB 4.04Å; A86-L91 HydrophobicContact CB-CD1 4.13Å; A86-L91 HydrophobicContact CB-CG 3.98Å
87N88.7Confident93.4Very high70 Ų7057 Ų5737%0.37431%0.308SS..  trans-147-160.7170.764.135.4000109E89 M90N87-E89 PolarHBondContact O-N 3.38Å; N87-E89 WeakPolarHBondContact OD1-CA 3.48Å; N87-E89 PolarHBondContact OD1-N 3.39Å; N87-M90 PolarHBondContact N-O 3.5Å; N87-M90 WeakPolarHBondContact OD1-CG 3.4Å; N87-M90 PolarHBondContact OD1-N 2.86Å
88N87.7Confident93.7Very high113 Ų11357.4 Ų57.460%0.60431%0.308SS*.SBendtrans-73.4-9.8-178-65.8-8.9000114.2L104N88-L104 WeakPolarHBondContact O-CD1 3.01Å
89E91.3Very high94.1Very high136 Ų13649.7 Ų49.764%0.63627%0.267SS*.SBendtrans-119.9-28.7-174.1-62.5179.1159.100112.6M64 N87 L104M64-E89 VanDerWaalsContact CE-C 3.5Å; N87-E89 PolarHBondContact O-N 3.38Å; N87-E89 WeakPolarHBondContact OD1-CA 3.48Å; N87-E89 PolarHBondContact OD1-N 3.39Å; E89-L104 WeakPolarHBondContact O-CB 3.41Å; E89-L104 WeakPolarHBondContact O-CG 3.1Å; E89-L104 PolarHBondContact O-N 3.36Å
90M93.7Very high94.3Very high11 Ų1147.8 Ų47.85%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-137156.9-176.969.382.592.700112.8A86 N87 V102 E103 L127A86-M90 CarbonylContact C-O 3.55Å; A86-M90 VanDerWaalsContact CA-O 3.26Å; A86-M90 WeakPolarHBondContact CA-O 3.36Å; N87-M90 PolarHBondContact N-O 3.5Å; N87-M90 WeakPolarHBondContact OD1-CG 3.4Å; N87-M90 PolarHBondContact OD1-N 2.86Å; M90-V102 CarbonylContact C-O 3.58Å; M90-V102 VanDerWaalsContact CA-O 3.24Å; M90-V102 WeakPolarHBondContact CA-O 3.43Å; M90-E103 VanDerWaalsContact CB-OE2 3.28Å; M90-E103 WeakPolarHBondContact CB-OE2 3.45Å; M90-L127 HydrophobicContact CE-CD1 4.27Å
91L94.6Very high94.4Very high0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-145.9136.5172.1-178.8145.4000110.2M64 I67 I74 V83 A86 A93 F101 V102M64-L91 HydrophobicContact CE-CB 4.27Å; M64-L91 HydrophobicContact CG-CB 3.94Å; M64-L91 HydrophobicContact CG-CD1 3.82Å; M64-L91 HydrophobicContact SD-CB 4.07Å; I67-L91 HydrophobicContact CD1-CD1 3.87Å; I74-L91 HydrophobicContact CD1-CD1 3.48Å; I74-L91 VanDerWaalsContact CD1-CD1 3.48Å; I74-L91 HydrophobicContact CD1-CD2 4.19Å; I74-L91 HydrophobicContact CD1-CG 4.45Å; V83-L91 HydrophobicContact CG2-CD1 4.08Å; V83-L91 HydrophobicContact CG2-CG 4.47Å; A86-L91 HydrophobicContact CB-CB 4.04Å; A86-L91 HydrophobicContact CB-CD1 4.13Å; A86-L91 HydrophobicContact CB-CG 3.98Å; L91-A93 HydrophobicContact CD2-CB 4.05Å; L91-F101 CarbonylContact O-C 3.52Å; L91-F101 VanDerWaalsContact O-CA 3.28Å; L91-F101 WeakPolarHBondContact O-CA 3.29Å; L91-V102 HydrophobicContact CB-CB 4.18Å; L91-V102 HydrophobicContact CD2-CG2 4.33Å; L91-V102 PolarHBondContact N-O 3.21Å; L91-V102 PolarHBondContact O-N 3.17Å
92S96Very high94.5Very high2 Ų240.3 Ų40.31%0.01423%0.229CC..EExtended strand (participates in β ladder)trans-127.4136.2169.967.50000109.6V84 D85 L100V84-S92 PolarHBondContact N-O 3.37Å; D85-S92 WeakPolarHBondContact CB-OG 3.41Å; D85-S92 PolarHBondContact N-O 2.86Å; D85-S92 PolarHBondContact N-OG 3.03Å; D85-S92 PolarHBondContact O-N 2.88Å; D85-S92 PolarHBondContact O-OG 2.85Å; D85-S92 VanDerWaalsContact O-OG 3.09Å; S92-L100 CarbonylContact C-O 3.46Å; S92-L100 WeakPolarHBondContact CA-O 3.46Å
93A96.4Very high94.6Very high0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-146.9154.8-178.700000111.2F81 V82 V83 L91 S99 L100F81-A93 HydrophobicContact CB-CB 3.73Å; F81-A93 HydrophobicContact CD1-CB 4.25Å; F81-A93 HydrophobicContact CG-CB 4.38Å; V82-A93 CarbonylContact O-C 3.55Å; V82-A93 WeakPolarHBondContact O-CA 3.4Å; V82-A93 WeakPolarHBondContact O-CB 3.45Å; V83-A93 HydrophobicContact CG2-CB 4.4Å; L91-A93 HydrophobicContact CD2-CB 4.05Å; A93-S99 WeakPolarHBondContact O-CA 3.49Å; A93-L100 HydrophobicContact CB-CB 4.4Å; A93-L100 PolarHBondContact N-O 2.82Å; A93-L100 PolarHBondContact O-N 2.8Å
94K96.8Very high94.6Very high53 Ų5338.4 Ų38.423%0.2322%0.215CC..EExtended strand (participates in β ladder)trans-125.1146.5177.7-67.7-158.776.2161.50112.5F81 V82 V84 K98 D116 N121 H123F81-K94 WeakPolarHBondContact CA-O 3.22Å; V82-K94 PolarHBondContact N-O 2.82Å; V82-K94 PolarHBondContact O-N 2.89Å; V84-K94 HydrophobicContact CG2-CB 4.31Å; V84-K94 HydrophobicContact CG2-CG 3.98Å; K94-K98 WeakPolarHBondContact CA-O 3.24Å; K94-D116 IonicContact NZ-OD2 2.61Å; K94-D116 PolarHBondContact NZ-OD2 2.6Å; K94-N121 PolarHBondContact NZ-OD1 2.8Å; K94-H123 HydrophobicContact CD-CB 4.28Å; K94-H123 WeakPolarHBondContact CG-ND1 3.49Å
95S96.7Very high94.6Very high28 Ų2835.7 Ų35.720%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-141.699.3169.9-165.90000109.6R80 K97 K98R80-S95 VanDerWaalsContact O-CB 3.28Å; R80-S95 WeakPolarHBondContact O-CB 3.28Å; R80-S95 PolarHBondContact O-OG 3.42Å; S95-K97 PolarHBondContact O-N 2.92Å; S95-K97 VanDerWaalsContact O-N 3.14Å; S95-K98 PolarHBondContact N-O 2.89Å; S95-K98 WeakPolarHBondContact O-CB 3.39Å; S95-K98 PolarHBondContact O-N 3.25Å
96G94.8Very high94.6Very high71 Ų7139.8 Ų39.873%0.73221%0.213SC*.THydrogen-bonded Turntrans56.2-119.1-172.800000111.8K98G96-K98 VanDerWaalsContact C-N 3.34Å
97K96.5Very high94.6Very high100 Ų10042 Ų4244%0.43523%0.225SC..THydrogen-bonded Turntrans-80.3-10.6175.6-66.7-173.4177.2-175.10113.7S95 M115 D116S95-K97 PolarHBondContact O-N 2.92Å; S95-K97 VanDerWaalsContact O-N 3.14Å; K97-M115 HydrophobicContact CB-CG 4.27Å; K97-M115 CarbonylContact O-C 3.6Å; K97-M115 WeakPolarHBondContact O-CA 3.5Å; K97-D116 HydrophobicContact CB-CB 4.13Å; K97-D116 HydrophobicContact CG-CB 4.47Å; K97-D116 PolarHBondContact O-N 2.8Å
98K97.7Very high94.9Very high23 Ų2339 Ų3910%0.121%0.209CC..EExtended strand (participates in β ladder)trans-90.4143.6-176.7-59.9170.9179174.40110.5E45 F46 D79 F81 K94 S95 G96 S114E45-K98 WeakPolarHBondContact OE1-CE 3.42Å; E45-K98 IonicContact OE1-NZ 2.99Å; E45-K98 PolarHBondContact OE1-NZ 2.9Å; F46-K98 HydrophobicContact CE1-CD 4.1Å; F46-K98 HydrophobicContact CE1-CG 4.1Å; F46-K98 HydrophobicContact CZ-CB 4.46Å; F46-K98 HydrophobicContact CZ-CG 4.13Å; D79-K98 IonicContact OD1-NZ 2.64Å; D79-K98 PolarHBondContact OD1-NZ 2.92Å; D79-K98 WeakPolarHBondContact OD2-CD 3.22Å; D79-K98 WeakPolarHBondContact OD2-CE 3.28Å; D79-K98 IonicContact OD2-NZ 2.7Å; D79-K98 PolarHBondContact OD2-NZ 2.78Å; F81-K98 HydrophobicContact CE1-CB 3.91Å; F81-K98 HydrophobicContact CZ-CB 3.95Å; K94-K98 WeakPolarHBondContact CA-O 3.24Å; S95-K98 PolarHBondContact N-O 2.89Å; S95-K98 WeakPolarHBondContact O-CB 3.39Å; S95-K98 PolarHBondContact O-N 3.25Å; G96-K98 VanDerWaalsContact C-N 3.34Å; K98-S114 CarbonylContact C-O 3.55Å; K98-S114 WeakPolarHBondContact CA-O 3.49Å
99S98.1Very high95.3Very high0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-121.8140.2168.8-55.90000109.8A93 F101 L113 S114 H123A93-S99 WeakPolarHBondContact O-CA 3.49Å; S99-F101 VanDerWaalsContact CB-CZ 3.42Å; S99-L113 WeakPolarHBondContact O-CA 3.25Å; S99-L113 WeakPolarHBondContact O-CD2 3.13Å; S99-S114 WeakPolarHBondContact CB-OG 3.47Å; S99-S114 PolarHBondContact N-O 3.06Å; S99-S114 PolarHBondContact O-N 3.03Å; S99-S114 VanDerWaalsContact O-N 3.13Å; S99-H123 VanDerWaalsContact CB-ND1 3.31Å; S99-H123 WeakPolarHBondContact CB-ND1 3.42Å; S99-H123 PolarHBondContact OG-ND1 2.85Å
100L97.7Very high95.5Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-115.8133.1172.8169.664.2000108.7F76 F81 S92 A93 V102 F111 L113F76-L100 HydrophobicContact CB-CD2 3.92Å; F76-L100 HydrophobicContact CD1-CD1 3.75Å; F76-L100 HydrophobicContact CD1-CD2 3.94Å; F76-L100 HydrophobicContact CD1-CG 4.41Å; F76-L100 HydrophobicContact CE1-CD1 3.62Å; F76-L100 HydrophobicContact CG-CD1 4.37Å; F76-L100 HydrophobicContact CG-CD2 3.88Å; F76-L100 HydrophobicContact CZ-CD1 4.15Å; F81-L100 HydrophobicContact CD1-CB 3.66Å; F81-L100 HydrophobicContact CD2-CD2 4.37Å; F81-L100 HydrophobicContact CE1-CB 3.62Å; F81-L100 HydrophobicContact CE2-CB 4.47Å; F81-L100 HydrophobicContact CG-CB 4.15Å; F81-L100 HydrophobicContact CG-CD2 4.36Å; F81-L100 HydrophobicContact CZ-CB 4.05Å; S92-L100 CarbonylContact C-O 3.46Å; S92-L100 WeakPolarHBondContact CA-O 3.46Å; A93-L100 HydrophobicContact CB-CB 4.4Å; A93-L100 PolarHBondContact N-O 2.82Å; A93-L100 PolarHBondContact O-N 2.8Å; L100-V102 HydrophobicContact CD1-CG2 4.34Å; L100-F111 HydrophobicContact CD1-CD1 4.26Å; L100-L113 HydrophobicContact CB-CD2 4.1Å; L100-L113 HydrophobicContact CD1-CD2 3.83Å
101F97.8Very high95.7Very high0 Ų026.6 Ų26.60%015%0.147CC..EExtended strand (participates in β ladder)trans-127.4141.4175.5-50.4-74.9000109.4L24 L91 S99 F111 G112 H123 A126 L127 M130L24-F101 HydrophobicContact CD2-CD2 4.16Å; L24-F101 HydrophobicContact CD2-CE2 4.38Å; L91-F101 CarbonylContact O-C 3.52Å; L91-F101 VanDerWaalsContact O-CA 3.28Å; L91-F101 WeakPolarHBondContact O-CA 3.29Å; S99-F101 VanDerWaalsContact CB-CZ 3.42Å; F101-F111 CarbonylContact O-C 3.55Å; F101-F111 WeakPolarHBondContact O-CA 3.37Å; F101-G112 PolarHBondContact N-O 2.96Å; F101-G112 PolarHBondContact O-N 2.85Å; F101-H123 AromaticContact CE1-CE1 3.51Å; F101-H123 AromaticContact CE1-ND1 3.72Å; F101-H123 AromaticContact CE1-NE2 3.98Å; F101-H123 AromaticContact CZ-CE1 3.93Å; F101-H123 AromaticContact CZ-ND1 3.65Å; F101-H123 WeakPolarHBondContact CZ-O 3.46Å; F101-A126 HydrophobicContact CD2-CB 4.46Å; F101-A126 HydrophobicContact CE2-CB 3.54Å; F101-A126 HydrophobicContact CZ-CB 3.79Å; F101-L127 HydrophobicContact CD1-CB 4.16Å; F101-L127 HydrophobicContact CD1-CD1 3.81Å; F101-L127 HydrophobicContact CE1-CB 3.76Å; F101-L127 HydrophobicContact CE1-CD1 4.21Å; F101-L127 HydrophobicContact CZ-CB 4.46Å; F101-M130 HydrophobicContact CB-CB 4.33Å; F101-M130 HydrophobicContact CB-CE 4.22Å; F101-M130 HydrophobicContact CB-CG 3.65Å; F101-M130 HydrophobicContact CB-SD 4.42Å; F101-M130 HydrophobicContact CD2-CG 4.11Å; F101-M130 HydrophobicContact CG-CG 3.98Å
102V96.7Very high95.9Very high0 Ų026.6 Ų26.60%015%0.147CC..EExtended strand (participates in β ladder)trans-135130.1171.3-1710000108.2I60 M64 M90 L91 L100 V110 F111I60-V102 HydrophobicContact CG2-CG2 3.79Å; M64-V102 HydrophobicContact CE-CG1 4.3Å; M64-V102 HydrophobicContact SD-CB 3.96Å; M64-V102 HydrophobicContact SD-CG1 3.64Å; M90-V102 CarbonylContact C-O 3.58Å; M90-V102 VanDerWaalsContact CA-O 3.24Å; M90-V102 WeakPolarHBondContact CA-O 3.43Å; L91-V102 HydrophobicContact CB-CB 4.18Å; L91-V102 HydrophobicContact CD2-CG2 4.33Å; L91-V102 PolarHBondContact N-O 3.21Å; L91-V102 PolarHBondContact O-N 3.17Å; L100-V102 HydrophobicContact CD1-CG2 4.34Å; V102-V110 CarbonylContact C-O 3.49Å; V102-V110 VanDerWaalsContact CA-O 3.3Å; V102-V110 WeakPolarHBondContact CA-O 3.39Å; V102-F111 HydrophobicContact CG1-CD1 4.45Å; V102-F111 HydrophobicContact CG1-CE1 4.16Å; V102-F111 HydrophobicContact CG1-CZ 4.2Å; V102-F111 HydrophobicContact CG2-CD1 3.58Å; V102-F111 HydrophobicContact CG2-CE1 3.56Å; V102-F111 HydrophobicContact CG2-CG 4.41Å; V102-F111 HydrophobicContact CG2-CZ 4.4Å
103E96.3Very high96Very high13 Ų1326.6 Ų26.66%0.06115%0.147CC..EExtended strand (participates in β ladder)trans-126.6131.9176.7-67.9-68.9173.500108.4M90 V110 M130 Q134M90-E103 VanDerWaalsContact CB-OE2 3.28Å; M90-E103 WeakPolarHBondContact CB-OE2 3.45Å; E103-V110 PolarHBondContact N-O 3.47Å; E103-V110 PolarHBondContact O-N 3.44Å; E103-M130 HydrophobicContact CB-CE 4.23Å; E103-M130 HydrophobicContact CG-CB 3.99Å; E103-M130 HydrophobicContact CG-CE 3.91Å; E103-Q134 HydrophobicContact CB-CB 3.87Å; E103-Q134 HydrophobicContact CB-CG 3.81Å; E103-Q134 HydrophobicContact CG-CB 4.18Å; E103-Q134 HydrophobicContact CG-CG 4.44Å
104L94.1Very high96.1Very high30 Ų3026.6 Ų26.616%0.15715%0.147CC..EExtended strand (participates in β ladder)trans-95.1141173.3-60.6-174.3000110.1M64 N88 E89 C109 Q134M64-L104 HydrophobicContact CE-CD1 4.04Å; M64-L104 HydrophobicContact CE-CD2 4.47Å; M64-L104 HydrophobicContact CE-CG 3.85Å; N88-L104 WeakPolarHBondContact O-CD1 3.01Å; E89-L104 WeakPolarHBondContact O-CB 3.41Å; E89-L104 WeakPolarHBondContact O-CG 3.1Å; E89-L104 PolarHBondContact O-N 3.36Å; L104-C109 HydrophobicContact CD2-CB 3.69Å; L104-C109 VanDerWaalsContact CD2-SG 3.53Å; L104-Q134 PolarHBondContact O-NE2 2.91Å
105T93.4Very high96.1Very high6 Ų626.9 Ų26.94%0.03715%0.15CC..  trans-112.4177.1162.880.60000109.6H32 T107 L108 Q134 E138H32-T105 PolarHBondContact CE1-O 2.67Å; H32-T105 VanDerWaalsContact CE1-O 3.3Å; H32-T105 PolarHBondContact NE2-O 3.16Å; T105-T107 PolarHBondContact O-N 2.98Å; T105-T107 VanDerWaalsContact O-N 3.11Å; T105-T107 PolarHBondContact OG1-N 3.41Å; T105-L108 HydrophobicContact CG2-CB 4.39Å; T105-L108 PolarHBondContact N-O 3.16Å; T105-L108 WeakPolarHBondContact OG1-CA 3.24Å; T105-L108 VanDerWaalsContact OG1-CB 3.29Å; T105-L108 WeakPolarHBondContact OG1-CB 3.38Å; T105-L108 PolarHBondContact OG1-N 2.97Å; T105-Q134 HydrophobicContact CG2-CG 4.12Å; T105-E138 VanDerWaalsContact C-OE1 3.25Å; T105-E138 WeakPolarHBondContact CA-OE1 3.41Å; T105-E138 VanDerWaalsContact CB-OE1 3.23Å; T105-E138 WeakPolarHBondContact CB-OE1 3.43Å; T105-E138 HydrophobicContact CG2-CG 4.13Å
106K90.5Very high96.1Very high163 Ų16326.3 Ų26.371%0.70915%0.145SC*.SBendtrans-50.1-33.5172-71.7171.1-165.2157.80113.3H32 E138H32-K106 PolarHBondContact CE1-O 3.18Å; K106-E138 VanDerWaalsContact CD-OE2 3.25Å; K106-E138 WeakPolarHBondContact CD-OE2 3.41Å; K106-E138 WeakPolarHBondContact CE-OE2 3.25Å; K106-E138 VanDerWaalsContact CG-OE2 3.29Å; K106-E138 WeakPolarHBondContact CG-OE2 3.07Å; K106-E138 PolarHBondContact N-OE1 2.96Å; K106-E138 IonicContact NZ-OE2 3.73Å
107T91Very high96Very high64 Ų6425.8 Ų25.839%0.39313%0.128SC..SBendtrans-126.7-16.7-172.255.50000114.1H32 T105H32-T107 PolarHBondContact CD2-O 3.46Å; H32-T107 PolarHBondContact N-O 2.89Å; T105-T107 PolarHBondContact O-N 2.98Å; T105-T107 VanDerWaalsContact O-N 3.11Å; T105-T107 PolarHBondContact OG1-N 3.41Å
108L95Very high95.7Very high6 Ų629.6 Ų29.63%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-124.2162.1-171.4-53.8173.8000112.6W10 V29 C30 H32 L37 T105 V110 Y137W10-L108 HydrophobicContact CH2-CD1 3.9Å; W10-L108 HydrophobicContact CH2-CD2 4.17Å; W10-L108 HydrophobicContact CZ3-CD1 3.84Å; W10-L108 HydrophobicContact CZ3-CD2 4.49Å; V29-L108 HydrophobicContact CG1-CB 4.33Å; V29-L108 HydrophobicContact CG1-CD1 3.93Å; V29-L108 HydrophobicContact CG1-CD2 4.03Å; V29-L108 HydrophobicContact CG1-CG 4.32Å; C30-L108 CarbonylContact O-C 3.56Å; C30-L108 VanDerWaalsContact O-CA 3.29Å; C30-L108 WeakPolarHBondContact O-CA 3.35Å; H32-L108 PolarHBondContact CD2-N 2.81Å; H32-L108 PolarHBondContact NE2-N 3.13Å; H32-L108 PolarHBondContact NE2-O 3.43Å; L37-L108 HydrophobicContact CD1-CD2 3.58Å; T105-L108 HydrophobicContact CG2-CB 4.39Å; T105-L108 PolarHBondContact N-O 3.16Å; T105-L108 WeakPolarHBondContact OG1-CA 3.24Å; T105-L108 VanDerWaalsContact OG1-CB 3.29Å; T105-L108 WeakPolarHBondContact OG1-CB 3.38Å; T105-L108 PolarHBondContact OG1-N 2.97Å; L108-V110 HydrophobicContact CB-CG2 4.43Å; L108-Y137 HydrophobicContact CD1-CD1 3.7Å; L108-Y137 HydrophobicContact CD1-CE1 4.3Å; L108-Y137 HydrophobicContact CD1-CG 3.93Å
109C95.1Very high95.5Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-127.2116.3167.5178.70000107.4C30 L104 F111C30-C109 HydrophobicContact CB-CB 4.37Å; C30-C109 PolarHBondContact N-O 3.33Å; C30-C109 PolarHBondContact O-N 2.98Å; L104-C109 HydrophobicContact CD2-CB 3.69Å; L104-C109 VanDerWaalsContact CD2-SG 3.53Å; C109-F111 HydrophobicContact CB-CE2 4.46Å; C109-F111 WeakPolarHBondContact SG-CE2 3.46Å
110V96.6Very high95.2Very high0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-110122.4-172.3-169.80000109.1L27 C28 V29 V102 E103 L108 M130 I133 Y137L27-V110 HydrophobicContact CD1-CG1 3.93Å; L27-V110 HydrophobicContact CG-CG1 4.31Å; C28-V110 WeakPolarHBondContact O-CA 3.34Å; V29-V110 HydrophobicContact CG2-CG1 4.35Å; V102-V110 CarbonylContact C-O 3.49Å; V102-V110 VanDerWaalsContact CA-O 3.3Å; V102-V110 WeakPolarHBondContact CA-O 3.39Å; E103-V110 PolarHBondContact N-O 3.47Å; E103-V110 PolarHBondContact O-N 3.44Å; L108-V110 HydrophobicContact CB-CG2 4.43Å; V110-M130 HydrophobicContact CB-CE 4.28Å; V110-M130 HydrophobicContact CG1-CE 3.93Å; V110-M130 WeakPolarHBondContact O-CE 3.23Å; V110-I133 HydrophobicContact CG1-CG2 4.05Å; V110-Y137 HydrophobicContact CG2-CD2 3.94Å; V110-Y137 HydrophobicContact CG2-CE2 4.3Å
111F97.6Very high95Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-102.5133.6176.1-68-99.9000109.6L27 C28 V57 I60 F76 L100 F101 V102 C109L27-F111 CarbonylContact C-O 3.45Å; L27-F111 VanDerWaalsContact CA-O 3.28Å; L27-F111 WeakPolarHBondContact CA-O 3.44Å; L27-F111 WeakPolarHBondContact CD1-O 3.48Å; C28-F111 HydrophobicContact CB-CB 4.19Å; C28-F111 PolarHBondContact N-O 2.91Å; C28-F111 PolarHBondContact O-N 3.32Å; V57-F111 HydrophobicContact CB-CE2 4.37Å; V57-F111 HydrophobicContact CB-CZ 4.28Å; V57-F111 HydrophobicContact CG1-CE2 3.81Å; V57-F111 HydrophobicContact CG1-CZ 3.95Å; V57-F111 HydrophobicContact CG2-CE2 4.02Å; V57-F111 HydrophobicContact CG2-CZ 4.19Å; I60-F111 HydrophobicContact CB-CE1 4.07Å; I60-F111 HydrophobicContact CB-CZ 4.26Å; I60-F111 HydrophobicContact CG1-CE1 3.97Å; I60-F111 HydrophobicContact CG1-CZ 4.47Å; I60-F111 HydrophobicContact CG2-CE1 3.99Å; I60-F111 HydrophobicContact CG2-CZ 4.41Å; F76-F111 AromaticContact CE2-CD1 3.95Å; F76-F111 HydrophobicContact CE2-CD1 3.95Å; F76-F111 AromaticContact CE2-CE1 3.96Å; F76-F111 HydrophobicContact CE2-CE1 3.96Å; F76-F111 AromaticContact CZ-CD1 3.76Å; F76-F111 HydrophobicContact CZ-CD1 3.76Å; F76-F111 HydrophobicContact CZ-CE1 4.26Å; F76-F111 HydrophobicContact CZ-CG 4.48Å; L100-F111 HydrophobicContact CD1-CD1 4.26Å; F101-F111 CarbonylContact O-C 3.55Å; F101-F111 WeakPolarHBondContact O-CA 3.37Å; V102-F111 HydrophobicContact CG1-CD1 4.45Å; V102-F111 HydrophobicContact CG1-CE1 4.16Å; V102-F111 HydrophobicContact CG1-CZ 4.2Å; V102-F111 HydrophobicContact CG2-CD1 3.58Å; V102-F111 HydrophobicContact CG2-CE1 3.56Å; V102-F111 HydrophobicContact CG2-CG 4.41Å; V102-F111 HydrophobicContact CG2-CZ 4.4Å; C109-F111 HydrophobicContact CB-CE2 4.46Å; C109-F111 WeakPolarHBondContact SG-CE2 3.46Å
112G98.1Very high94.9Very high0 Ų044.4 Ų44.40%023%0.23CC..EExtended strand (participates in β ladder)trans-123144.1170.700000111.4A26 F101 M130A26-G112 WeakPolarHBondContact O-CA 3.43Å; F101-G112 PolarHBondContact N-O 2.96Å; F101-G112 PolarHBondContact O-N 2.85Å; G112-M130 VanDerWaalsContact CA-SD 3.53Å
113L98.4Very high94.9Very high1 Ų145.6 Ų45.61%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-126143170.3-65.3164.4000109.8D25 A26 F46 I49 F76 L77 F81 S99 L100D25-L113 PolarHBondContact N-O 3.15Å; A26-L113 HydrophobicContact CB-CB 4.17Å; A26-L113 HydrophobicContact CB-CD1 4.23Å; A26-L113 PolarHBondContact N-O 3.5Å; A26-L113 PolarHBondContact O-N 3.31Å; F46-L113 HydrophobicContact CB-CD1 4.14Å; F46-L113 HydrophobicContact CD1-CB 4.22Å; F46-L113 HydrophobicContact CD1-CD1 3.6Å; F46-L113 HydrophobicContact CD1-CG 4.4Å; F46-L113 HydrophobicContact CD2-CB 3.9Å; F46-L113 HydrophobicContact CD2-CD1 4.44Å; F46-L113 HydrophobicContact CE1-CB 4.09Å; F46-L113 HydrophobicContact CE1-CD1 4.05Å; F46-L113 HydrophobicContact CE1-CD2 4.38Å; F46-L113 HydrophobicContact CE1-CG 4.42Å; F46-L113 HydrophobicContact CE2-CB 3.78Å; F46-L113 HydrophobicContact CG-CB 4.12Å; F46-L113 HydrophobicContact CG-CD1 3.82Å; F46-L113 HydrophobicContact CZ-CB 3.87Å; I49-L113 HydrophobicContact CD1-CD1 3.94Å; I49-L113 HydrophobicContact CG1-CD1 4.42Å; F76-L113 HydrophobicContact CD1-CD2 4.29Å; F76-L113 HydrophobicContact CE1-CD1 4.19Å; F76-L113 HydrophobicContact CE1-CD2 4.06Å; F76-L113 HydrophobicContact CE1-CG 4.43Å; L77-L113 HydrophobicContact CD1-CD1 3.53Å; F81-L113 HydrophobicContact CZ-CD2 4.38Å; S99-L113 WeakPolarHBondContact O-CA 3.25Å; S99-L113 WeakPolarHBondContact O-CD2 3.13Å; L100-L113 HydrophobicContact CB-CD2 4.1Å; L100-L113 HydrophobicContact CD1-CD2 3.83Å
114S98.2Very high94.9Very high0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-135.1153.2166.568.90000110.6K23 D25 K98 S99K23-S114 WeakPolarHBondContact O-CB 3.29Å; D25-S114 WeakPolarHBondContact OD2-CA 3.24Å; K98-S114 CarbonylContact C-O 3.55Å; K98-S114 WeakPolarHBondContact CA-O 3.49Å; S99-S114 WeakPolarHBondContact CB-OG 3.47Å; S99-S114 PolarHBondContact N-O 3.06Å; S99-S114 PolarHBondContact O-N 3.03Å; S99-S114 VanDerWaalsContact O-N 3.13Å
115M97.6Very high95Very high59 Ų5949.5 Ų49.529%0.29127%0.267SS..EExtended strand (participates in β ladder)trans-123.9119.2174.3-174.7171.2163.900109.4D25 I43 E45 F46 K97 K122D25-M115 PolarHBondContact OD2-N 3.14Å; I43-M115 HydrophobicContact CD1-CB 3.96Å; I43-M115 HydrophobicContact CD1-SD 3.93Å; E45-M115 HydrophobicContact CG-SD 4.21Å; F46-M115 HydrophobicContact CE2-CB 3.97Å; F46-M115 HydrophobicContact CZ-CB 3.98Å; K97-M115 HydrophobicContact CB-CG 4.27Å; K97-M115 CarbonylContact O-C 3.6Å; K97-M115 WeakPolarHBondContact O-CA 3.5Å; M115-K122 WeakPolarHBondContact O-CD 3.44Å; M115-K122 VanDerWaalsContact O-CE 3.3Å; M115-K122 WeakPolarHBondContact O-CE 3.49Å; M115-K122 PolarHBondContact O-NZ 3.44Å
116D96.7Very high95.2Very high16 Ų1649.2 Ų49.29%0.08627%0.265CS..  trans-56.6139171.8-65.1-20.9000109.1K94 K97 E120 N121 K122K94-D116 IonicContact NZ-OD2 2.61Å; K94-D116 PolarHBondContact NZ-OD2 2.6Å; K97-D116 HydrophobicContact CB-CB 4.13Å; K97-D116 HydrophobicContact CG-CB 4.47Å; K97-D116 PolarHBondContact O-N 2.8Å; D116-E120 WeakPolarHBondContact CA-O 3.29Å; D116-N121 WeakPolarHBondContact OD1-CA 3.34Å; D116-N121 PolarHBondContact OD1-OD1 3.44Å; D116-K122 PolarHBondContact OD1-N 3.11Å
117T93.2Very high95.5Very high61 Ų6142.6 Ų42.637%0.37424%0.238SC..  trans-92.3-178.2171.569.90000109.3T119 E120T117-T119 PolarHBondContact O-N 3.22Å; T117-T119 PolarHBondContact OG1-N 3.12Å; T117-T119 PolarHBondContact OG1-OG1 2.9Å; T117-E120 PolarHBondContact N-O 2.8Å; T117-E120 WeakPolarHBondContact OG1-CB 3.49Å; T117-E120 PolarHBondContact OG1-N 3.37Å
118E90.9Very high95.8Very high180 Ų18045 Ų4584%0.84125%0.245SC*.SBendtrans-65.7-24.5173.9-62.1-174.5162.800113
119T91.7Very high95.9Very high141 Ų14145 Ų4587%0.86525%0.246SC*.SBendtrans-112.4-11-173.1560000113.7T117T117-T119 PolarHBondContact O-N 3.22Å; T117-T119 PolarHBondContact OG1-N 3.12Å; T117-T119 PolarHBondContact OG1-OG1 2.9Å
120E92.9Very high96.1Very high66 Ų6645 Ų4531%0.30825%0.246SC..  trans-137.6122-172.5-174.7173.7-136.700112.1K23 D116 T117 K122K23-E120 WeakPolarHBondContact CE-OE1 3.47Å; K23-E120 IonicContact NZ-OE1 2.6Å; K23-E120 PolarHBondContact NZ-OE1 3.32Å; K23-E120 IonicContact NZ-OE2 3.72Å; K23-E120 PolarHBondContact NZ-OE2 3.47Å; D116-E120 WeakPolarHBondContact CA-O 3.29Å; T117-E120 PolarHBondContact N-O 2.8Å; T117-E120 WeakPolarHBondContact OG1-CB 3.49Å; T117-E120 PolarHBondContact OG1-N 3.37Å; E120-K122 HydrophobicContact CG-CG 3.89Å
121N93.7Very high96.1Very high110 Ų11050.9 Ų50.959%0.58827%0.268SS*.  trans-89.3111.5164.7-179.4-15.2000108.5K94 D116 H123K94-N121 PolarHBondContact NZ-OD1 2.8Å; D116-N121 WeakPolarHBondContact OD1-CA 3.34Å; D116-N121 PolarHBondContact OD1-OD1 3.44Å; N121-H123 PolarHBondContact OD1-N 2.85Å
122K95.9Very high96Very high17 Ų1754.9 Ų54.97%0.07429%0.289CS..  trans-92.5-8.2-172.2-63-178.1-173.71620113.2K23 D25 M115 D116 E120 A124 T125 A126K23-K122 HydrophobicContact CD-CG 4.5Å; D25-K122 IonicContact OD1-NZ 2.98Å; D25-K122 IonicContact OD2-NZ 2.9Å; D25-K122 PolarHBondContact OD2-NZ 2.9Å; D25-K122 VanDerWaalsContact OD2-NZ 3.17Å; M115-K122 WeakPolarHBondContact O-CD 3.44Å; M115-K122 VanDerWaalsContact O-CE 3.3Å; M115-K122 WeakPolarHBondContact O-CE 3.49Å; M115-K122 PolarHBondContact O-NZ 3.44Å; D116-K122 PolarHBondContact OD1-N 3.11Å; E120-K122 HydrophobicContact CG-CG 3.89Å; K122-A124 PolarHBondContact O-N 3.44Å; K122-T125 PolarHBondContact O-N 3.11Å; K122-A126 WeakPolarHBondContact O-CB 3.47Å; K122-A126 PolarHBondContact O-N 3.36Å
123H96.5Very high96Very high24 Ų2454.9 Ų54.911%0.11129%0.289CS..Hα-helixtrans-54.9-50.4-165.6-173.383.6000113.6K94 S99 F101 N121 L127K94-H123 HydrophobicContact CD-CB 4.28Å; K94-H123 WeakPolarHBondContact CG-ND1 3.49Å; S99-H123 VanDerWaalsContact CB-ND1 3.31Å; S99-H123 WeakPolarHBondContact CB-ND1 3.42Å; S99-H123 PolarHBondContact OG-ND1 2.85Å; F101-H123 AromaticContact CE1-CE1 3.51Å; F101-H123 AromaticContact CE1-ND1 3.72Å; F101-H123 AromaticContact CE1-NE2 3.98Å; F101-H123 AromaticContact CZ-CE1 3.93Å; F101-H123 AromaticContact CZ-ND1 3.65Å; F101-H123 WeakPolarHBondContact CZ-O 3.46Å; N121-H123 PolarHBondContact OD1-N 2.85Å; H123-L127 WeakPolarHBondContact O-CB 3.29Å; H123-L127 PolarHBondContact O-N 3.03Å
124A96Very high95.9Very high61 Ų6157 Ų5750%0.50430%0.299SS..Hα-helixtrans-66.2-47.1-178.100000112.2K122 A126 L127 E128K122-A124 PolarHBondContact O-N 3.44Å; A124-A126 PolarHBondContact O-N 2.98Å; A124-L127 WeakPolarHBondContact O-CB 3.46Å; A124-L127 PolarHBondContact O-N 3.25Å; A124-E128 PolarHBondContact O-N 3.4Å
125T96.4Very high95.7Very high64 Ų6462.9 Ų62.939%0.39332%0.324SS..Hα-helixtrans-68.9-34-179.8-46.20000112.4K23 K122 E128 A129K23-T125 HydrophobicContact CB-CG2 4.39Å; K23-T125 HydrophobicContact CG-CG2 3.73Å; K122-T125 PolarHBondContact O-N 3.11Å; T125-E128 PolarHBondContact O-N 3.42Å; T125-A129 PolarHBondContact O-N 2.73Å
126A97.7Very high95.6Very high0 Ų064.9 Ų64.90%033%0.33CS..Hα-helixtrans-69.8-33.1173.600000112K23 L24 F101 K122 A124 A129 M130K23-A126 HydrophobicContact CB-CB 4.44Å; L24-A126 HydrophobicContact CD2-CB 3.97Å; L24-A126 HydrophobicContact CG-CB 4.48Å; F101-A126 HydrophobicContact CD2-CB 4.46Å; F101-A126 HydrophobicContact CE2-CB 3.54Å; F101-A126 HydrophobicContact CZ-CB 3.79Å; K122-A126 WeakPolarHBondContact O-CB 3.47Å; K122-A126 PolarHBondContact O-N 3.36Å; A124-A126 PolarHBondContact O-N 2.98Å; A126-A129 PolarHBondContact O-N 2.98Å; A126-M130 WeakPolarHBondContact O-CG 3.39Å; A126-M130 PolarHBondContact O-N 3.26Å
127L97.1Very high95.5Very high24 Ų2464.2 Ų64.213%0.12633%0.326CS..Hα-helixtrans-65.3-42.9171.8179.762.5000111.6M90 F101 H123 A124 A129 M130 R131M90-L127 HydrophobicContact CE-CD1 4.27Å; F101-L127 HydrophobicContact CD1-CB 4.16Å; F101-L127 HydrophobicContact CD1-CD1 3.81Å; F101-L127 HydrophobicContact CE1-CB 3.76Å; F101-L127 HydrophobicContact CE1-CD1 4.21Å; F101-L127 HydrophobicContact CZ-CB 4.46Å; H123-L127 WeakPolarHBondContact O-CB 3.29Å; H123-L127 PolarHBondContact O-N 3.03Å; A124-L127 WeakPolarHBondContact O-CB 3.46Å; A124-L127 PolarHBondContact O-N 3.25Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-M130 PolarHBondContact O-N 2.9Å; L127-R131 PolarHBondContact O-N 2.86Å; L127-R131 VanDerWaalsContact O-N 3.14Å
128E96.9Very high95.4Very high115 Ų11563.6 Ų63.654%0.53732%0.319SS..Hα-helixtrans-59.3-46.1173.4-71.2171.2176.500111.3A124 T125 M130 R131 D132A124-E128 PolarHBondContact O-N 3.4Å; T125-E128 PolarHBondContact O-N 3.42Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 3.12Å; E128-R131 WeakPolarHBondContact O-CB 3.23Å; E128-R131 PolarHBondContact O-N 3.37Å; E128-R131 VanDerWaalsContact O-N 3.14Å; E128-D132 PolarHBondContact O-N 3.27Å
129A97.6Very high95.5Very high7 Ų760.4 Ų60.46%0.05831%0.307CS..Hα-helixtrans-57.9-39.7175.200000112.9Y21 L24 T125 A126 L127 R131 D132 I133Y21-A129 HydrophobicContact CD1-CB 3.45Å; Y21-A129 VanDerWaalsContact CD1-CB 3.45Å; Y21-A129 HydrophobicContact CE1-CB 4.26Å; Y21-A129 HydrophobicContact CG-CB 3.88Å; L24-A129 HydrophobicContact CD1-CB 4Å; L24-A129 HydrophobicContact CG-CB 4.32Å; T125-A129 PolarHBondContact O-N 2.73Å; A126-A129 PolarHBondContact O-N 2.98Å; L127-A129 VanDerWaalsContact C-N 3.35Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 2.85Å; A129-D132 PolarHBondContact O-N 3.3Å; A129-I133 VanDerWaalsContact O-CG1 3.29Å; A129-I133 WeakPolarHBondContact O-CG1 3Å; A129-I133 PolarHBondContact O-N 3.11Å
130M98.1Very high95.1Very high0 Ų055.1 Ų55.10%028%0.278CS..Hα-helixtrans-64.6-38.1177.1-77.6-64.6-57.900112.8L24 L27 F101 E103 V110 G112 A126 L127 E128 I133 Q134L24-M130 HydrophobicContact CD1-CG 4.12Å; L24-M130 HydrophobicContact CD1-SD 3.81Å; L24-M130 HydrophobicContact CD2-CG 4.01Å; L24-M130 HydrophobicContact CD2-SD 4.17Å; L27-M130 HydrophobicContact CD1-SD 3.8Å; F101-M130 HydrophobicContact CB-CB 4.33Å; F101-M130 HydrophobicContact CB-CE 4.22Å; F101-M130 HydrophobicContact CB-CG 3.65Å; F101-M130 HydrophobicContact CB-SD 4.42Å; F101-M130 HydrophobicContact CD2-CG 4.11Å; F101-M130 HydrophobicContact CG-CG 3.98Å; E103-M130 HydrophobicContact CB-CE 4.23Å; E103-M130 HydrophobicContact CG-CB 3.99Å; E103-M130 HydrophobicContact CG-CE 3.91Å; V110-M130 HydrophobicContact CB-CE 4.28Å; V110-M130 HydrophobicContact CG1-CE 3.93Å; V110-M130 WeakPolarHBondContact O-CE 3.23Å; G112-M130 VanDerWaalsContact CA-SD 3.53Å; A126-M130 WeakPolarHBondContact O-CG 3.39Å; A126-M130 PolarHBondContact O-N 3.26Å; L127-M130 PolarHBondContact O-N 2.9Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 3.12Å; M130-I133 PolarHBondContact O-N 3.24Å; M130-I133 HydrophobicContact SD-CD1 4.44Å; M130-Q134 WeakPolarHBondContact O-CB 3.44Å; M130-Q134 PolarHBondContact O-N 3.44Å
131R96.5Very high93.8Very high123 Ų12361.6 Ų61.646%0.46431%0.309SS..Hα-helixtrans-65.5-39.6174.4-68.2173.6176.9174.8-1.4111.9L127 E128 A129 Q134 K135L127-R131 PolarHBondContact O-N 2.86Å; L127-R131 VanDerWaalsContact O-N 3.14Å; E128-R131 WeakPolarHBondContact O-CB 3.23Å; E128-R131 PolarHBondContact O-N 3.37Å; E128-R131 VanDerWaalsContact O-N 3.14Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 2.85Å; R131-Q134 WeakPolarHBondContact O-CB 3.5Å; R131-Q134 PolarHBondContact O-N 3.04Å; R131-K135 WeakPolarHBondContact O-CB 3.34Å; R131-K135 PolarHBondContact O-N 3.17Å
132D96.9Very high92.4Very high84 Ų8463.6 Ų63.645%0.44931%0.312SS..Hα-helixtrans-66.1-40.2175.6-67.6-21000111.8Y21 E128 A129 K135 Y136Y21-D132 HydrophobicContact CE1-CB 3.75Å; Y21-D132 VanDerWaalsContact OH-CB 3.23Å; Y21-D132 WeakPolarHBondContact OH-CB 3.46Å; E128-D132 PolarHBondContact O-N 3.27Å; A129-D132 PolarHBondContact O-N 3.3Å; D132-K135 PolarHBondContact O-N 2.91Å; D132-Y136 WeakPolarHBondContact O-CB 3.27Å; D132-Y136 PolarHBondContact O-N 3.32Å
133I97Very high92.2Very high0 Ų065.9 Ų65.90%032%0.324CS..Hα-helixtrans-64.5-43.4174.8-69.8169.1000111.1L17 Y21 L24 L27 V110 A129 M130 K135 Y136 Y137L17-I133 HydrophobicContact CD1-CG2 4.1Å; L17-I133 HydrophobicContact CD2-CG1 4.42Å; Y21-I133 HydrophobicContact CD2-CD1 3.63Å; Y21-I133 HydrophobicContact CD2-CG1 3.52Å; Y21-I133 HydrophobicContact CE2-CD1 4.13Å; Y21-I133 HydrophobicContact CE2-CG1 3.46Å; Y21-I133 VanDerWaalsContact CE2-CG1 3.46Å; Y21-I133 HydrophobicContact CG-CD1 4.15Å; Y21-I133 HydrophobicContact CG-CG1 4.3Å; L24-I133 HydrophobicContact CD1-CD1 3.51Å; L27-I133 HydrophobicContact CD1-CD1 3.95Å; L27-I133 HydrophobicContact CD2-CD1 4.38Å; L27-I133 HydrophobicContact CD2-CG2 4.47Å; V110-I133 HydrophobicContact CG1-CG2 4.05Å; A129-I133 VanDerWaalsContact O-CG1 3.29Å; A129-I133 WeakPolarHBondContact O-CG1 3Å; A129-I133 PolarHBondContact O-N 3.11Å; M130-I133 PolarHBondContact O-N 3.24Å; M130-I133 HydrophobicContact SD-CD1 4.44Å; I133-K135 VanDerWaalsContact C-N 3.3Å; I133-K135 PolarHBondContact O-N 2.89Å; I133-Y136 WeakPolarHBondContact O-CB 3.41Å; I133-Y136 PolarHBondContact O-N 2.97Å; I133-Y137 HydrophobicContact CG2-CD2 3.69Å; I133-Y137 HydrophobicContact CG2-CE2 3.58Å; I133-Y137 VanDerWaalsContact O-CD2 3.27Å; I133-Y137 WeakPolarHBondContact O-CD2 3.46Å; I133-Y137 PolarHBondContact O-N 3.29Å
134Q95.8Very high92Very high45 Ų4568.1 Ų68.121%0.2134%0.335CS..Hα-helixtrans-55.8-48.6175.2-174-75.5-18.800110E103 L104 T105 M130 R131 Y136 Y137 E138E103-Q134 HydrophobicContact CB-CB 3.87Å; E103-Q134 HydrophobicContact CB-CG 3.81Å; E103-Q134 HydrophobicContact CG-CB 4.18Å; E103-Q134 HydrophobicContact CG-CG 4.44Å; L104-Q134 PolarHBondContact O-NE2 2.91Å; T105-Q134 HydrophobicContact CG2-CG 4.12Å; M130-Q134 WeakPolarHBondContact O-CB 3.44Å; M130-Q134 PolarHBondContact O-N 3.44Å; R131-Q134 WeakPolarHBondContact O-CB 3.5Å; R131-Q134 PolarHBondContact O-N 3.04Å; Q134-Y136 PolarHBondContact O-N 3.32Å; Q134-Y137 PolarHBondContact O-N 3.11Å; Q134-E138 VanDerWaalsContact NE2-CG 3.3Å; Q134-E138 PolarHBondContact O-N 2.91Å
135K95.3Very high91.8Very high123 Ų12368.5 Ų68.554%0.53533%0.326SS..Hα-helixtrans-62.8-43.8178.7-176.7178.5177.5-1760112.1R131 D132 I133 Y137 E138 D139R131-K135 WeakPolarHBondContact O-CB 3.34Å; R131-K135 PolarHBondContact O-N 3.17Å; D132-K135 PolarHBondContact O-N 2.91Å; I133-K135 VanDerWaalsContact C-N 3.3Å; I133-K135 PolarHBondContact O-N 2.89Å; K135-Y137 VanDerWaalsContact C-N 3.26Å; K135-Y137 PolarHBondContact O-N 2.96Å; K135-E138 PolarHBondContact O-N 2.9Å; K135-E138 VanDerWaalsContact O-N 3.11Å; K135-D139 WeakPolarHBondContact O-CB 3.38Å; K135-D139 PolarHBondContact O-N 3.36Å
136Y94.5Very high91.5Very high102 Ų10268.8 Ų68.840%0.432%0.322SS..Hα-helixtrans-55.1-42.1174.9165.3-97.4000112.2Q13 L17 D132 I133 Q134 A140Q13-Y136 VanDerWaalsContact NE2-CE1 3.28Å; Q13-Y136 PolarHBondContact NE2-OH 3.2Å; L17-Y136 HydrophobicContact CD1-CD1 4.39Å; L17-Y136 HydrophobicContact CD1-CE1 4.32Å; L17-Y136 HydrophobicContact CD2-CD1 4.19Å; L17-Y136 HydrophobicContact CD2-CE1 4.28Å; D132-Y136 WeakPolarHBondContact O-CB 3.27Å; D132-Y136 PolarHBondContact O-N 3.32Å; I133-Y136 WeakPolarHBondContact O-CB 3.41Å; I133-Y136 PolarHBondContact O-N 2.97Å; Q134-Y136 PolarHBondContact O-N 3.32Å; Y136-A140 WeakPolarHBondContact O-CB 3.48Å; Y136-A140 PolarHBondContact O-N 3.19Å
137Y94.5Very high91.1Very high2 Ų273.1 Ų73.11%0.00834%0.342CS..Hα-helixtrans-74.6-28.2177-78.8-59.4000113.9W10 Q13 L17 V29 L108 V110 I133 Q134 K135 F142W10-Y137 HydrophobicContact CE3-CE1 4.31Å; W10-Y137 HydrophobicContact CZ3-CD1 4.22Å; W10-Y137 AromaticContact CZ3-CE1 3.62Å; W10-Y137 HydrophobicContact CZ3-CE1 3.62Å; Q13-Y137 PolarHBondContact OE1-OH 3.49Å; L17-Y137 HydrophobicContact CD1-CE2 3.83Å; L17-Y137 WeakPolarHBondContact CD1-OH 3.17Å; V29-Y137 HydrophobicContact CG2-CE2 3.91Å; L108-Y137 HydrophobicContact CD1-CD1 3.7Å; L108-Y137 HydrophobicContact CD1-CE1 4.3Å; L108-Y137 HydrophobicContact CD1-CG 3.93Å; V110-Y137 HydrophobicContact CG2-CD2 3.94Å; V110-Y137 HydrophobicContact CG2-CE2 4.3Å; I133-Y137 HydrophobicContact CG2-CD2 3.69Å; I133-Y137 HydrophobicContact CG2-CE2 3.58Å; I133-Y137 VanDerWaalsContact O-CD2 3.27Å; I133-Y137 WeakPolarHBondContact O-CD2 3.46Å; I133-Y137 PolarHBondContact O-N 3.29Å; Q134-Y137 PolarHBondContact O-N 3.11Å; K135-Y137 VanDerWaalsContact C-N 3.26Å; K135-Y137 PolarHBondContact O-N 2.96Å; Y137-F142 AromaticContact CD1-CE2 3.77Å; Y137-F142 HydrophobicContact CD1-CE2 3.77Å; Y137-F142 HydrophobicContact CD1-CZ 4.3Å; Y137-F142 HydrophobicContact CE1-CE2 4.41Å
138E92.6Very high90.7Very high47 Ų4776.3 Ų76.322%0.2236%0.357CS..Hα-helixtrans-72.9-35.8173.4-78.4-68.4-173.700113.4T105 K106 Q134 K135 A140T105-E138 VanDerWaalsContact C-OE1 3.25Å; T105-E138 WeakPolarHBondContact CA-OE1 3.41Å; T105-E138 VanDerWaalsContact CB-OE1 3.23Å; T105-E138 WeakPolarHBondContact CB-OE1 3.43Å; T105-E138 HydrophobicContact CG2-CG 4.13Å; K106-E138 VanDerWaalsContact CD-OE2 3.25Å; K106-E138 WeakPolarHBondContact CD-OE2 3.41Å; K106-E138 WeakPolarHBondContact CE-OE2 3.25Å; K106-E138 VanDerWaalsContact CG-OE2 3.29Å; K106-E138 WeakPolarHBondContact CG-OE2 3.07Å; K106-E138 PolarHBondContact N-OE1 2.96Å; K106-E138 IonicContact NZ-OE2 3.73Å; Q134-E138 VanDerWaalsContact NE2-CG 3.3Å; Q134-E138 PolarHBondContact O-N 2.91Å; K135-E138 PolarHBondContact O-N 2.9Å; K135-E138 VanDerWaalsContact O-N 3.11Å; E138-A140 VanDerWaalsContact C-N 3.3Å
139D92Very high90.3Very high113 Ų11373.6 Ų73.660%0.60434%0.344SS*.Hα-helixtrans-76.8-22178.7-69.1-19.6000111.6K135 E141K135-D139 WeakPolarHBondContact O-CB 3.38Å; K135-D139 PolarHBondContact O-N 3.36Å; D139-E141 PolarHBondContact O-N 2.83Å
140A82.6Confident89.7Confident31 Ų3178.7 Ų78.726%0.25637%0.366SS..SBendtrans-82.7104.4172.300000109.7Y136 E138 F142Y136-A140 WeakPolarHBondContact O-CB 3.48Å; Y136-A140 PolarHBondContact O-N 3.19Å; E138-A140 VanDerWaalsContact C-N 3.3Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 HydrophobicContact CB-CD2 3.93Å; A140-F142 HydrophobicContact CB-CE2 3.25Å; A140-F142 HydrophobicContact CB-CZ 3.67Å; A140-F142 WeakPolarHBondContact O-CD2 3.29Å; A140-F142 PolarHBondContact O-N 3.38Å
141E66.1Low89Confident202 Ų20285.3 Ų85.394%0.94440%0.396SS*.  trans-67.579-179.9-59.9-178.312600112.2D139D139-E141 PolarHBondContact O-N 2.83Å
142F64.9Low88.4Confident151 Ų15181.8 Ų81.866%0.66239%0.39SS*.  trans-82.10173.7-60.8-75.5000113.6W10 Y137 A140W10-F142 HydrophobicContact CH2-CD1 4.22Å; W10-F142 HydrophobicContact CH2-CD2 4.44Å; W10-F142 HydrophobicContact CH2-CE1 4.07Å; W10-F142 HydrophobicContact CH2-CE2 4.31Å; W10-F142 HydrophobicContact CH2-CG 4.4Å; W10-F142 HydrophobicContact CH2-CZ 4.12Å; W10-F142 HydrophobicContact CZ2-CD1 4.46Å; W10-F142 HydrophobicContact CZ2-CE1 4.46Å; Y137-F142 AromaticContact CD1-CE2 3.77Å; Y137-F142 HydrophobicContact CD1-CE2 3.77Å; Y137-F142 HydrophobicContact CD1-CZ 4.3Å; Y137-F142 HydrophobicContact CE1-CE2 4.41Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 HydrophobicContact CB-CD2 3.93Å; A140-F142 HydrophobicContact CB-CE2 3.25Å; A140-F142 HydrophobicContact CB-CZ 3.67Å; A140-F142 WeakPolarHBondContact O-CD2 3.29Å; A140-F142 PolarHBondContact O-N 3.38Å

Retrieved 142 of 142 residues in 81.3 ms (Link to these results)

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