A0A3Q0KEE9_SCHMA Loading...

Putative mitochondrial ribosomal protein L24

AlphaFold DB , UniProt , Accession A0A3Q0KEE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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
1M62.8Low87.1Confident132 Ų13269.3 Ų69.365%0.6537%0.366SS*.  0134.80-116.9-164.8-170.100107.4D5 R36M1-D5 HydrophobicContact CB-CB 4.25Å; M1-D5 HydrophobicContact CE-CB 3.93Å; M1-D5 HydrophobicContact CG-CB 3.52Å; M1-D5 HydrophobicContact SD-CB 3.5Å; M1-D5 VanDerWaalsContact SD-CB 3.5Å; M1-R36 PolarHBondContact SD-NH2 2.93Å
2L80.7Confident87.9Confident114 Ų11464.3 Ų64.360%0.59734%0.34SS*.  trans-68.7154.7171.8-69.1165.5000108.7E4 D5L2-E4 PolarHBondContact O-N 3.41Å; L2-E4 VanDerWaalsContact O-N 3.07Å; L2-D5 PolarHBondContact N-OD2 3.16Å; L2-D5 VanDerWaalsContact N-OD2 3.08Å; L2-D5 WeakPolarHBondContact O-CB 3.46Å; L2-D5 PolarHBondContact O-N 3.35Å
3P79.7Confident88.5Confident108 Ų10868.6 Ų68.670%0.70135%0.349SS*.G310 helixtrans-53.3-29.4174.6-25.934.7000112.8D5 Q6P3-D5 VanDerWaalsContact C-N 3.28Å; P3-D5 PolarHBondContact O-N 2.99Å; P3-Q6 WeakPolarHBondContact O-CB 3.2Å; P3-Q6 PolarHBondContact O-N 3.29Å
4E83.6Confident89.1Confident132 Ų13263.7 Ų63.762%0.61732%0.324SS*.G310 helixtrans-67.7-24.2177.8-61.1-177.6-167.100113.8L2 Q6 W84 R92L2-E4 PolarHBondContact O-N 3.41Å; L2-E4 VanDerWaalsContact O-N 3.07Å; E4-Q6 VanDerWaalsContact C-N 3.3Å; E4-W84 PolarHBondContact O-NE1 3.1Å; E4-R92 PolarHBondContact O-NH1 3.32Å; E4-R92 PolarHBondContact O-NH2 2.8Å
5D89.3Confident89.6Confident59 Ų5961.7 Ų61.732%0.31631%0.313SS..G310 helixtrans-84.3-10.1-178.1-61.2-35.8000112.4M1 L2 P3 L7M1-D5 HydrophobicContact CB-CB 4.25Å; M1-D5 HydrophobicContact CE-CB 3.93Å; M1-D5 HydrophobicContact CG-CB 3.52Å; M1-D5 HydrophobicContact SD-CB 3.5Å; M1-D5 VanDerWaalsContact SD-CB 3.5Å; L2-D5 PolarHBondContact N-OD2 3.16Å; L2-D5 VanDerWaalsContact N-OD2 3.08Å; L2-D5 WeakPolarHBondContact O-CB 3.46Å; L2-D5 PolarHBondContact O-N 3.35Å; P3-D5 VanDerWaalsContact C-N 3.28Å; P3-D5 PolarHBondContact O-N 2.99Å; D5-L7 PolarHBondContact O-N 3.1Å; D5-L7 VanDerWaalsContact O-N 3.16Å
6Q91.1Very high90.1Very high23 Ų2357.9 Ų57.911%0.10729%0.294CS..  trans-61.1119.6-175.7-179.9171.9-27.400110.9P3 E4 I8 F9 W84P3-Q6 WeakPolarHBondContact O-CB 3.2Å; P3-Q6 PolarHBondContact O-N 3.29Å; E4-Q6 VanDerWaalsContact C-N 3.3Å; Q6-I8 WeakPolarHBondContact CG-O 3.44Å; Q6-I8 PolarHBondContact NE2-O 3.28Å; Q6-F9 WeakPolarHBondContact O-CE2 3.38Å; Q6-F9 WeakPolarHBondContact O-CZ 3.26Å; Q6-W84 VanDerWaalsContact O-CZ2 3.26Å; Q6-W84 WeakPolarHBondContact O-CZ2 2.92Å; Q6-W84 PolarHBondContact O-NE1 3.35Å
7L93.4Very high90.5Very high38 Ų3858.7 Ų58.720%0.19930%0.298CS..  trans-92.5-28.7-178.7-71.1166.2000113.2D5 L71 C82 W84 R94D5-L7 PolarHBondContact O-N 3.1Å; D5-L7 VanDerWaalsContact O-N 3.16Å; L7-L71 HydrophobicContact CB-CD1 4.41Å; L7-C82 HydrophobicContact CD1-CB 4.3Å; L7-C82 WeakPolarHBondContact CD1-O 3.27Å; L7-C82 HydrophobicContact CD2-CB 4.27Å; L7-W84 HydrophobicContact CD2-CD2 4.18Å; L7-W84 HydrophobicContact CD2-CG 4.1Å; L7-R94 HydrophobicContact CD2-CG 4.31Å; L7-R94 WeakPolarHBondContact O-CD 3.37Å; L7-R94 PolarHBondContact O-NH1 2.97Å
8I94.7Very high90.8Very high8 Ų857.8 Ų57.84%0.04130%0.298CS..  trans-103.5130.6-173.3-54.5-172.6000110.2Q6 D12 V14 V28 V38 I65 V69 L71Q6-I8 WeakPolarHBondContact CG-O 3.44Å; Q6-I8 PolarHBondContact NE2-O 3.28Å; I8-D12 HydrophobicContact CG2-CB 4.31Å; I8-V14 HydrophobicContact CD1-CG1 4.3Å; I8-V14 HydrophobicContact CG2-CG1 4.05Å; I8-V28 HydrophobicContact CG2-CG2 3.83Å; I8-V38 HydrophobicContact CG2-CG1 4.4Å; I8-I65 HydrophobicContact CB-CG2 4.31Å; I8-I65 HydrophobicContact CD1-CG2 4.1Å; I8-I65 HydrophobicContact CG1-CG2 4.26Å; I8-V69 HydrophobicContact CD1-CG1 4.2Å; I8-L71 HydrophobicContact CD1-CG 4.33Å; I8-L71 HydrophobicContact CG1-CD1 4.3Å; I8-L71 HydrophobicContact CG1-CD2 4.09Å; I8-L71 HydrophobicContact CG1-CG 3.94Å
9F94.1Very high90.9Very high44 Ų4457.4 Ų57.419%0.19331%0.309CS..  trans-124.4166.8-179.1-62.9-89.4000111.6Q6 G11 D12 W84 L105 P106 A109Q6-F9 WeakPolarHBondContact O-CE2 3.38Å; Q6-F9 WeakPolarHBondContact O-CZ 3.26Å; F9-G11 PolarHBondContact O-N 3.11Å; F9-D12 PolarHBondContact N-OD2 2.79Å; F9-D12 WeakPolarHBondContact O-CB 3.44Å; F9-D12 PolarHBondContact O-N 2.93Å; F9-W84 HydrophobicContact CE2-CH2 4Å; F9-W84 AromaticContact CE2-CZ2 3.78Å; F9-W84 HydrophobicContact CE2-CZ2 3.78Å; F9-W84 HydrophobicContact CZ-CH2 4.34Å; F9-W84 AromaticContact CZ-CZ2 3.99Å; F9-W84 HydrophobicContact CZ-CZ2 3.99Å; F9-L105 HydrophobicContact CD2-CD2 3.31Å; F9-L105 HydrophobicContact CE2-CD2 3.43Å; F9-L105 VanDerWaalsContact CE2-CD2 3.43Å; F9-L105 HydrophobicContact CG-CD2 4.05Å; F9-L105 HydrophobicContact CZ-CD2 4.24Å; F9-P106 HydrophobicContact CB-CG 4.43Å; F9-A109 HydrophobicContact CB-CB 3.63Å; F9-A109 HydrophobicContact CD1-CB 4.2Å; F9-A109 HydrophobicContact CG-CB 3.98Å
10K93.9Very high91Very high78 Ų7859.8 Ų59.834%0.33933%0.327SS..THydrogen-bonded Turntrans-58.8132.3174.8-175.9179.7-177.9-176.50110.1S29 P106 A108 A109K10-S29 WeakPolarHBondContact CE-O 3.48Å; K10-S29 WeakPolarHBondContact CG-O 3.38Å; K10-P106 WeakPolarHBondContact O-CG 3.37Å; K10-A108 HydrophobicContact CB-CB 4.45Å; K10-A108 HydrophobicContact CD-CB 4.44Å; K10-A108 HydrophobicContact CG-CB 4.11Å; K10-A108 CarbonylContact O-C 3.57Å; K10-A108 WeakPolarHBondContact O-CB 3.22Å; K10-A109 PolarHBondContact O-N 3.43Å
11G94.9Very high91.2Very high26 Ų2657.9 Ų57.927%0.26832%0.317SS..THydrogen-bonded Turntrans86.70.5-178.300000115.1F9 V28F9-G11 PolarHBondContact O-N 3.11Å; G11-V28 PolarHBondContact N-O 3.43Å
12D96.3Very high92.8Very high9 Ų958.8 Ų58.85%0.04832%0.317CS..  trans-69.5147.5172.2-82-36.4000111.8I8 F9 V14 I27 V28 L71 R94 P106I8-D12 HydrophobicContact CG2-CB 4.31Å; F9-D12 PolarHBondContact N-OD2 2.79Å; F9-D12 WeakPolarHBondContact O-CB 3.44Å; F9-D12 PolarHBondContact O-N 2.93Å; D12-V14 HydrophobicContact CB-CG1 4.34Å; D12-I27 WeakPolarHBondContact O-CA 3.37Å; D12-V28 HydrophobicContact CB-CG2 4.28Å; D12-V28 PolarHBondContact O-N 3.08Å; D12-L71 HydrophobicContact CB-CD2 3.83Å; D12-R94 VanDerWaalsContact CG-NH1 3.31Å; D12-R94 IonicContact OD1-CZ 2.72Å; D12-R94 IonicContact OD1-NH1 3.17Å; D12-R94 PolarHBondContact OD1-NH1 2.72Å; D12-R94 IonicContact OD1-NH2 2.78Å; D12-R94 PolarHBondContact OD1-NH2 3.31Å; D12-R94 IonicContact OD2-CZ 3.53Å; D12-R94 IonicContact OD2-NH1 3.29Å; D12-R94 PolarHBondContact OD2-NH1 3.27Å; D12-R94 IonicContact OD2-NH2 2.69Å; D12-P106 WeakPolarHBondContact OD1-CD 3.48Å; D12-P106 WeakPolarHBondContact OD1-CG 3.39Å
13R95.7Very high93.5Very high121 Ų12155.3 Ų55.346%0.45731%0.309SS..EExtended strand (participates in β ladder)trans-84.7124169-68.5179.768.7-152.3-1.6109.1G26 V72 N77R13-G26 WeakPolarHBondContact CA-O 3.35Å; R13-V72 PolarHBondContact O-N 3.41Å; R13-V72 VanDerWaalsContact O-N 3.15Å; R13-N77 PolarHBondContact NH1-OD1 3.02Å
14V97.2Very high94.3Very high0 Ų056.7 Ų56.70%030%0.3CS..EExtended strand (participates in β ladder)trans-134.2149.8-175.5-65.20000111.7I8 D12 I25 G26 V28 V40 V69 A70 L71I8-V14 HydrophobicContact CD1-CG1 4.3Å; I8-V14 HydrophobicContact CG2-CG1 4.05Å; D12-V14 HydrophobicContact CB-CG1 4.34Å; V14-I25 CarbonylContact O-C 3.56Å; V14-I25 VanDerWaalsContact O-CA 3.31Å; V14-I25 WeakPolarHBondContact O-CA 3.45Å; V14-G26 PolarHBondContact N-O 3.18Å; V14-G26 PolarHBondContact O-N 3.24Å; V14-V28 HydrophobicContact CB-CG2 4.27Å; V14-V28 HydrophobicContact CG1-CG2 3.6Å; V14-V28 HydrophobicContact CG2-CG2 3.62Å; V14-V40 HydrophobicContact CG2-CG1 4.08Å; V14-V40 HydrophobicContact CG2-CG2 3.81Å; V14-V69 HydrophobicContact CB-CG1 3.36Å; V14-V69 HydrophobicContact CG1-CG1 3.75Å; V14-V69 HydrophobicContact CG2-CG1 3.64Å; V14-A70 CarbonylContact C-O 3.54Å; V14-A70 WeakPolarHBondContact CA-O 3.27Å; V14-A70 WeakPolarHBondContact CB-O 3.24Å; V14-L71 HydrophobicContact CG1-CD2 4.08Å
15Q97.1Very high94.9Very high34 Ų3453.7 Ų53.716%0.15929%0.287CS..EExtended strand (participates in β ladder)trans-107.1136.6171.9-165.5179.824.300110.2G23 R24 I25 V69 A70 V72 P79Q15-G23 PolarHBondContact NE2-O 3.36Å; Q15-R24 WeakPolarHBondContact CA-O 3.12Å; Q15-R24 WeakPolarHBondContact CG-O 3.49Å; Q15-I25 HydrophobicContact CB-CG1 4.15Å; Q15-I25 HydrophobicContact CG-CG1 4.03Å; Q15-V69 WeakPolarHBondContact O-CA 3.39Å; Q15-A70 PolarHBondContact N-O 3.4Å; Q15-A70 PolarHBondContact O-N 3.23Å; Q15-V72 HydrophobicContact CB-CG2 3.94Å; Q15-P79 HydrophobicContact CB-CB 4.43Å
16I97.5Very high95.2Very high1 Ų151.4 Ų51.41%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-81.2127.9176.8-62178000109.6C18 D21 G23 R24 L43 L63I16-C18 WeakPolarHBondContact CG2-O 3.49Å; I16-D21 HydrophobicContact CD1-CB 4.14Å; I16-G23 PolarHBondContact O-N 3.03Å; I16-R24 PolarHBondContact N-O 2.92Å; I16-L43 HydrophobicContact CD1-CB 3.48Å; I16-L43 VanDerWaalsContact CD1-CB 3.48Å; I16-L43 HydrophobicContact CD1-CD1 3.63Å; I16-L43 HydrophobicContact CD1-CG 4.13Å; I16-L43 HydrophobicContact CG1-CD1 4.32Å; I16-L63 HydrophobicContact CD1-CD1 3.72Å; I16-L63 HydrophobicContact CG1-CD1 3.75Å; I16-L63 HydrophobicContact CG2-CD1 4.15Å
17L96.9Very high95.5Very high71 Ų7154.5 Ų54.537%0.37229%0.294SS..  trans-94.5-21-177.4-60.8-179.1000113.6K22 Q68 A70L17-K22 WeakPolarHBondContact O-CD 3.48Å; L17-K22 WeakPolarHBondContact O-CE 3.15Å; L17-K22 WeakPolarHBondContact O-CG 3.33Å; L17-Q68 PolarHBondContact N-O 2.91Å; L17-A70 HydrophobicContact CD1-CB 4.11Å; L17-A70 HydrophobicContact CD2-CB 4.19Å; L17-A70 HydrophobicContact CG-CB 4.27Å
18C95Very high95.6Very high43 Ų4352.8 Ų52.829%0.29129%0.285SS..SBendtrans-139.7163.9-17768.90000112.8I16 Q68I16-C18 WeakPolarHBondContact CG2-O 3.49Å; C18-Q68 WeakPolarHBondContact SG-CB 3.47Å; C18-Q68 WeakPolarHBondContact SG-CG 3.47Å
19G93.9Very high95.6Very high49 Ų4954.1 Ų54.151%0.50530%0.295SS..SBendtrans89.1-171.1178.200000113.6D21 K22G19-D21 VanDerWaalsContact C-N 3.28Å; G19-D21 PolarHBondContact O-N 3.28Å; G19-K22 WeakPolarHBondContact O-CB 3.43Å; G19-K22 PolarHBondContact O-N 3.21Å
20P92.5Very high95.6Very high105 Ų10554.3 Ų54.368%0.68230%0.302SS*.THydrogen-bonded Turntrans-67.1-29.6-171.326.8-34.5000113
21D95Very high95.6Very high20 Ų2052.1 Ų52.111%0.10730%0.295CS..THydrogen-bonded Turntrans-99.124.4-178.9-66.7-44.9000112.6I16 G19 G23 R24 L43 N44I16-D21 HydrophobicContact CD1-CB 4.14Å; G19-D21 VanDerWaalsContact C-N 3.28Å; G19-D21 PolarHBondContact O-N 3.28Å; D21-G23 PolarHBondContact O-N 2.92Å; D21-R24 HydrophobicContact CB-CG 4.47Å; D21-R24 WeakPolarHBondContact O-CB 3.46Å; D21-R24 PolarHBondContact O-N 3.4Å; D21-R24 VanDerWaalsContact O-N 3.09Å; D21-R24 IonicContact OD1-CZ 3.15Å; D21-R24 IonicContact OD1-NE 3.67Å; D21-R24 IonicContact OD1-NH1 2.69Å; D21-R24 PolarHBondContact OD1-NH1 2.97Å; D21-R24 IonicContact OD1-NH2 3.73Å; D21-L43 HydrophobicContact CB-CD2 4.17Å; D21-N44 WeakPolarHBondContact OD2-CA 3.22Å; D21-N44 PolarHBondContact OD2-N 3.35Å
22K96.1Very high95.5Very high152 Ų15253.4 Ų53.466%0.66130%0.298SS*.THydrogen-bonded Turntrans-53.4132.7177.4177.7175.6-178.8179.70111.2L17 G19 R24L17-K22 WeakPolarHBondContact O-CD 3.48Å; L17-K22 WeakPolarHBondContact O-CE 3.15Å; L17-K22 WeakPolarHBondContact O-CG 3.33Å; G19-K22 WeakPolarHBondContact O-CB 3.43Å; G19-K22 PolarHBondContact O-N 3.21Å; K22-R24 VanDerWaalsContact C-N 3.28Å; K22-R24 PolarHBondContact O-N 3.37Å
23G95.6Very high95.2Very high40 Ų4058.9 Ų58.941%0.41232%0.321SS..THydrogen-bonded Turntrans86.2-10.1179.500000114.2Q15 I16 D21Q15-G23 PolarHBondContact NE2-O 3.36Å; I16-G23 PolarHBondContact O-N 3.03Å; D21-G23 PolarHBondContact O-N 2.92Å
24R96.5Very high94.9Very high138 Ų13861 Ų6152%0.52134%0.34SS..  trans-77.8145.6174.7-61.3-171.2-177.6165.29.2111Q15 I16 D21 K22 L43Q15-R24 WeakPolarHBondContact CA-O 3.12Å; Q15-R24 WeakPolarHBondContact CG-O 3.49Å; I16-R24 PolarHBondContact N-O 2.92Å; D21-R24 HydrophobicContact CB-CG 4.47Å; D21-R24 WeakPolarHBondContact O-CB 3.46Å; D21-R24 PolarHBondContact O-N 3.4Å; D21-R24 VanDerWaalsContact O-N 3.09Å; D21-R24 IonicContact OD1-CZ 3.15Å; D21-R24 IonicContact OD1-NE 3.67Å; D21-R24 IonicContact OD1-NH1 2.69Å; D21-R24 PolarHBondContact OD1-NH1 2.97Å; D21-R24 IonicContact OD1-NH2 3.73Å; K22-R24 VanDerWaalsContact C-N 3.28Å; K22-R24 PolarHBondContact O-N 3.37Å; R24-L43 HydrophobicContact CB-CD1 4.04Å; R24-L43 HydrophobicContact CB-CD2 3.97Å
25I96.2Very high94.7Very high68 Ų6870.1 Ų70.135%0.34937%0.374SS..EExtended strand (participates in β ladder)trans-102.3133.3176.5-60.4171.5000108V14 Q15 V72V14-I25 CarbonylContact O-C 3.56Å; V14-I25 VanDerWaalsContact O-CA 3.31Å; V14-I25 WeakPolarHBondContact O-CA 3.45Å; Q15-I25 HydrophobicContact CB-CG1 4.15Å; Q15-I25 HydrophobicContact CG-CG1 4.03Å; I25-V72 HydrophobicContact CD1-CG1 4.48Å; I25-V72 HydrophobicContact CD1-CG2 4.29Å; I25-V72 HydrophobicContact CG1-CG2 4.2Å; I25-V72 HydrophobicContact CG2-CG2 4.12Å
26G95.8Very high94.5Very high11 Ų1172.1 Ų72.111%0.11338%0.38CS..EExtended strand (participates in β ladder)trans-140.4178.8176.300000111.9R13 V14R13-G26 WeakPolarHBondContact CA-O 3.35Å; V14-G26 PolarHBondContact N-O 3.18Å; V14-G26 PolarHBondContact O-N 3.24Å
27I96.7Very high94.4Very high88 Ų8874 Ų7445%0.45139%0.39SS..EExtended strand (participates in β ladder)trans-105.8136.1177.7-61173.5000108.4D12 S29 D41D12-I27 WeakPolarHBondContact O-CA 3.37Å; I27-S29 PolarHBondContact O-N 3.14Å; I27-D41 WeakPolarHBondContact O-CB 3.47Å; I27-D41 PolarHBondContact O-N 3.31Å
28V96.7Very high94.4Very high2 Ų270.6 Ų70.61%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-69.2113.7177.3178.80000110.1I8 G11 D12 V14 V31 V38 Y39I8-V28 HydrophobicContact CG2-CG2 3.83Å; G11-V28 PolarHBondContact N-O 3.43Å; D12-V28 HydrophobicContact CB-CG2 4.28Å; D12-V28 PolarHBondContact O-N 3.08Å; V14-V28 HydrophobicContact CB-CG2 4.27Å; V14-V28 HydrophobicContact CG1-CG2 3.6Å; V14-V28 HydrophobicContact CG2-CG2 3.62Å; V28-V31 HydrophobicContact CG1-CG2 3.64Å; V28-V38 HydrophobicContact CG1-CB 4.39Å; V28-V38 HydrophobicContact CG1-CG1 3.99Å; V28-Y39 CarbonylContact C-O 3.59Å; V28-Y39 WeakPolarHBondContact CA-O 3.2Å
29S94.3Very high94.4Very high36 Ų3671.7 Ų71.725%0.25237%0.371SS..EExtended strand (participates in β ladder)trans-79.3-42.8-179.3660000111.7K10 I27 Y39 E60K10-S29 WeakPolarHBondContact CE-O 3.48Å; K10-S29 WeakPolarHBondContact CG-O 3.38Å; I27-S29 PolarHBondContact O-N 3.14Å; S29-Y39 PolarHBondContact N-O 3.01Å; S29-Y39 WeakPolarHBondContact OG-CB 3.13Å; S29-Y39 PolarHBondContact OG-O 3.22Å; S29-E60 PolarHBondContact OG-OE2 3.29Å
30S93.3Very high94.6Very high49 Ų4969.5 Ų69.534%0.34335%0.347SS..EExtended strand (participates in β ladder)trans-153.5156.4176.964.60000112.3Y39S30-Y39 PolarHBondContact O-N 3.46Å; S30-Y39 WeakPolarHBondContact OG-CD2 3.22Å
31V93.9Very high94.7Very high32 Ų3269 Ų6919%0.19434%0.339CS..EExtended strand (participates in β ladder)trans-127.3120.1-179.6-168.20000109.8V28 K33 V38 I65V28-V31 HydrophobicContact CG1-CG2 3.64Å; V31-K33 PolarHBondContact O-N 3.17Å; V31-V38 HydrophobicContact CB-CG1 4.34Å; V31-V38 HydrophobicContact CG1-CG1 3.93Å; V31-V38 HydrophobicContact CG2-CG1 4.01Å; V31-I65 HydrophobicContact CG1-CD1 3.64Å
32V92.5Very high94.7Very high52 Ų5269.9 Ų69.932%0.31535%0.353SS..EExtended strand (participates in β ladder)trans-94.488174.5-175.10000108.5I34 R35 R36 L37 Y39V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.43Å; V32-R35 HydrophobicContact CG1-CB 4.1Å; V32-R35 HydrophobicContact CG1-CG 4.37Å; V32-R35 PolarHBondContact O-N 3.2Å; V32-R36 PolarHBondContact O-N 3.11Å; V32-L37 HydrophobicContact CB-CB 4.26Å; V32-L37 PolarHBondContact N-O 2.65Å; V32-L37 PolarHBondContact O-N 2.75Å; V32-Y39 HydrophobicContact CG2-CD2 4.45Å; V32-Y39 HydrophobicContact CG2-CE2 3.81Å
33K90.1Very high94.6Very high124 Ų12463.4 Ų63.454%0.53933%0.325SS..G310 helixtrans-54-44.4-174.4-58.1-178-178.21670112.9V31 R35 R36V31-K33 PolarHBondContact O-N 3.17Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.16Å; K33-R36 PolarHBondContact O-N 3.38Å
34I90.4Very high94.6Very high167 Ų16762.6 Ų62.686%0.85631%0.311SS*.G310 helixtrans-60.2-40.6-176.5-61.9171.7000112.2V32V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.43Å
35R92.4Very high94.4Very high191 Ų19159.6 Ų59.672%0.72130%0.301SS*.G310 helixtrans-98.4-3.6-178.6-65.4-171.7179.3-176.50.4113.4V32 K33 L37V32-R35 HydrophobicContact CG1-CB 4.1Å; V32-R35 HydrophobicContact CG1-CG 4.37Å; V32-R35 PolarHBondContact O-N 3.2Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.16Å; R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 HydrophobicContact CB-CD1 3.8Å; R35-L37 HydrophobicContact CB-CG 3.89Å; R35-L37 PolarHBondContact O-N 3.26Å
36R93.2Very high94.2Very high76 Ų7663 Ų6329%0.28731%0.309SS..THydrogen-bonded Turntrans57.142-175.9-46.5-17673.7-156.4-5.2112.3M1 V32 K33 I65 D66M1-R36 PolarHBondContact SD-NH2 2.93Å; V32-R36 PolarHBondContact O-N 3.11Å; K33-R36 PolarHBondContact O-N 3.38Å; R36-I65 VanDerWaalsContact C-CD1 3.43Å; R36-I65 HydrophobicContact CB-CD1 4.38Å; R36-I65 VanDerWaalsContact O-CG1 3.27Å; R36-I65 WeakPolarHBondContact O-CG1 3.43Å; R36-I65 PolarHBondContact O-N 3.24Å; R36-D66 IonicContact CZ-OD1 3.57Å; R36-D66 IonicContact CZ-OD2 3.57Å; R36-D66 IonicContact NH1-OD2 3.15Å; R36-D66 PolarHBondContact NH1-OD2 3.4Å; R36-D66 IonicContact NH2-OD1 3.6Å; R36-D66 PolarHBondContact NH2-OD1 3.2Å; R36-D66 IonicContact NH2-OD2 2.94Å; R36-D66 PolarHBondContact NH2-OD2 3.37Å
37L95.4Very high94Very high39 Ų3967.9 Ų67.920%0.20433%0.332CS..EExtended strand (participates in β ladder)trans-110.3146.7179.4-62173.2000111V32 R35 P62 L63V32-L37 HydrophobicContact CB-CB 4.26Å; V32-L37 PolarHBondContact N-O 2.65Å; V32-L37 PolarHBondContact O-N 2.75Å; R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 HydrophobicContact CB-CD1 3.8Å; R35-L37 HydrophobicContact CB-CG 3.89Å; R35-L37 PolarHBondContact O-N 3.26Å; L37-P62 HydrophobicContact CB-CB 3.89Å; L37-P62 HydrophobicContact CD1-CB 3.87Å; L37-P62 HydrophobicContact CD1-CG 4.11Å; L37-P62 HydrophobicContact CD2-CB 4.23Å; L37-P62 HydrophobicContact CG-CB 4.2Å; L37-L63 CarbonylContact C-O 3.5Å; L37-L63 VanDerWaalsContact CA-O 3.28Å; L37-L63 WeakPolarHBondContact CA-O 3.44Å
38V96Very high93.7Very high0 Ų066 Ų660%032%0.324CS..EExtended strand (participates in β ladder)trans-123.7143.6173.6-82.70000110.6I8 V28 V31 P62 L63 I65 V69I8-V38 HydrophobicContact CG2-CG1 4.4Å; V28-V38 HydrophobicContact CG1-CB 4.39Å; V28-V38 HydrophobicContact CG1-CG1 3.99Å; V31-V38 HydrophobicContact CB-CG1 4.34Å; V31-V38 HydrophobicContact CG1-CG1 3.93Å; V31-V38 HydrophobicContact CG2-CG1 4.01Å; V38-P62 WeakPolarHBondContact O-CA 3.17Å; V38-L63 HydrophobicContact CG2-CB 4.19Å; V38-L63 WeakPolarHBondContact CG2-O 3.46Å; V38-L63 PolarHBondContact N-O 3.43Å; V38-L63 PolarHBondContact O-N 3.07Å; V38-I65 HydrophobicContact CB-CG1 4.14Å; V38-I65 HydrophobicContact CG1-CD1 3.85Å; V38-I65 HydrophobicContact CG1-CG1 3.43Å; V38-I65 VanDerWaalsContact CG1-CG1 3.43Å; V38-I65 HydrophobicContact CG2-CG1 3.88Å; V38-V69 HydrophobicContact CG2-CB 4.38Å; V38-V69 HydrophobicContact CG2-CG2 3.81Å
39Y96.6Very high93.3Very high67 Ų6769.6 Ų69.626%0.26336%0.355SS..EExtended strand (participates in β ladder)trans-103.8133.9166-64.7-92.7000107.8V28 S29 S30 V32 E60 P62V28-Y39 CarbonylContact C-O 3.59Å; V28-Y39 WeakPolarHBondContact CA-O 3.2Å; S29-Y39 PolarHBondContact N-O 3.01Å; S29-Y39 WeakPolarHBondContact OG-CB 3.13Å; S29-Y39 PolarHBondContact OG-O 3.22Å; S30-Y39 PolarHBondContact O-N 3.46Å; S30-Y39 WeakPolarHBondContact OG-CD2 3.22Å; V32-Y39 HydrophobicContact CG2-CD2 4.45Å; V32-Y39 HydrophobicContact CG2-CE2 3.81Å; Y39-E60 HydrophobicContact CD1-CB 3.96Å; Y39-E60 WeakPolarHBondContact CE1-O 3.42Å; Y39-P62 HydrophobicContact CE1-CB 3.97Å; Y39-P62 HydrophobicContact CE1-CG 4.36Å; Y39-P62 HydrophobicContact CE2-CB 4.31Å
40V96.9Very high92.8Very high2 Ų273 Ų731%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-113.5122.1179.9-174.60000107.1V14 G42 L43 L63V14-V40 HydrophobicContact CG2-CG1 4.08Å; V14-V40 HydrophobicContact CG2-CG2 3.81Å; V40-G42 PolarHBondContact O-N 3.44Å; V40-L43 HydrophobicContact CB-CB 4.36Å; V40-L43 HydrophobicContact CG1-CB 4.23Å; V40-L43 HydrophobicContact CG1-CD1 3.81Å; V40-L43 HydrophobicContact CG1-CG 4.35Å; V40-L43 PolarHBondContact O-N 3.1Å; V40-L63 HydrophobicContact CG2-CD1 4.16Å
41D95.5Very high92.2Very high96 Ų9682.9 Ų82.951%0.51340%0.395SS..THydrogen-bonded Turntrans-56.9128-175.8-171.825.3000110.2I27 L43 E60I27-D41 WeakPolarHBondContact O-CB 3.47Å; I27-D41 PolarHBondContact O-N 3.31Å; D41-L43 VanDerWaalsContact C-N 3.26Å; D41-L43 PolarHBondContact O-N 2.73Å; D41-E60 WeakPolarHBondContact CA-OE1 3.5Å
42G93.9Very high91.5Very high38 Ų3890.2 Ų90.239%0.39242%0.424SS..THydrogen-bonded Turntrans77.13175.100000115.6V40 Y45 E60V40-G42 PolarHBondContact O-N 3.44Å; G42-Y45 VanDerWaalsContact CA-CE2 3.41Å; G42-Y45 VanDerWaalsContact CA-OH 3.24Å; G42-Y45 WeakPolarHBondContact CA-OH 3.33Å; G42-Y45 PolarHBondContact N-OH 3.38Å; G42-Y45 VanDerWaalsContact O-CE2 3.23Å; G42-Y45 WeakPolarHBondContact O-CE2 3.43Å; G42-E60 PolarHBondContact N-OE1 3.28Å; G42-E60 VanDerWaalsContact N-OE1 3.13Å
43L95.4Very high90.8Very high15 Ų1595.9 Ų95.98%0.07944%0.441CS..  trans-131.9160.4-173.1-60.4177.1000113.1I16 D21 R24 V40 D41 Y45I16-L43 HydrophobicContact CD1-CB 3.48Å; I16-L43 VanDerWaalsContact CD1-CB 3.48Å; I16-L43 HydrophobicContact CD1-CD1 3.63Å; I16-L43 HydrophobicContact CD1-CG 4.13Å; I16-L43 HydrophobicContact CG1-CD1 4.32Å; D21-L43 HydrophobicContact CB-CD2 4.17Å; R24-L43 HydrophobicContact CB-CD1 4.04Å; R24-L43 HydrophobicContact CB-CD2 3.97Å; V40-L43 HydrophobicContact CB-CB 4.36Å; V40-L43 HydrophobicContact CG1-CB 4.23Å; V40-L43 HydrophobicContact CG1-CD1 3.81Å; V40-L43 HydrophobicContact CG1-CG 4.35Å; V40-L43 PolarHBondContact O-N 3.1Å; D41-L43 VanDerWaalsContact C-N 3.26Å; D41-L43 PolarHBondContact O-N 2.73Å; L43-Y45 PolarHBondContact O-N 3.08Å
44N94.6Very high90.3Very high23 Ų2398.8 Ų98.812%0.12346%0.463CS..SBendtrans54.950-179.8-165.144.4000113D21 D61 L63D21-N44 WeakPolarHBondContact OD2-CA 3.22Å; D21-N44 PolarHBondContact OD2-N 3.35Å; N44-D61 WeakPolarHBondContact ND2-CB 3.48Å; N44-D61 PolarHBondContact ND2-O 3.47Å; N44-D61 WeakPolarHBondContact O-CB 3.44Å; N44-D61 PolarHBondContact O-N 3.4Å; N44-L63 HydrophobicContact CB-CD1 4.18Å; N44-L63 HydrophobicContact CB-CD2 4.38Å; N44-L63 HydrophobicContact CB-CG 4.29Å; N44-L63 VanDerWaalsContact ND2-CD2 3.32Å; N44-L63 WeakPolarHBondContact ND2-CD2 3.41Å
45Y92.6Very high90.2Very high75 Ų7593.8 Ų93.829%0.29444%0.442SS..EExtended strand (participates in β ladder)trans-79.8139.1-177.8-79-77.2000113.6G42 L43 R58 S59 E60G42-Y45 VanDerWaalsContact CA-CE2 3.41Å; G42-Y45 VanDerWaalsContact CA-OH 3.24Å; G42-Y45 WeakPolarHBondContact CA-OH 3.33Å; G42-Y45 PolarHBondContact N-OH 3.38Å; G42-Y45 VanDerWaalsContact O-CE2 3.23Å; G42-Y45 WeakPolarHBondContact O-CE2 3.43Å; L43-Y45 PolarHBondContact O-N 3.08Å; Y45-R58 HydrophobicContact CD1-CB 3.89Å; Y45-R58 HydrophobicContact CE1-CB 4.35Å; Y45-S59 WeakPolarHBondContact CA-O 3.44Å; Y45-S59 WeakPolarHBondContact CD1-O 3.28Å; Y45-E60 HydrophobicContact CD1-CG 4.04Å; Y45-E60 HydrophobicContact CE1-CB 4.37Å; Y45-E60 HydrophobicContact CE1-CG 3.37Å; Y45-E60 HydrophobicContact CE2-CG 4.49Å; Y45-E60 PolarHBondContact OH-OE1 2.67Å
46R92Very high90.1Very high139 Ų13990.7 Ų90.753%0.52544%0.439SS..EExtended strand (participates in β ladder)trans-100.4136.3160.7-172.9-177.1-59.6-165.70.7110.6T48 S59 D61R46-T48 HydrophobicContact CG-CG2 4.12Å; R46-S59 PolarHBondContact N-O 3.34Å; R46-S59 PolarHBondContact O-N 2.9Å; R46-D61 WeakPolarHBondContact CB-OD1 3.42Å; R46-D61 IonicContact CZ-OD1 2.74Å; R46-D61 IonicContact CZ-OD2 2.78Å; R46-D61 IonicContact NE-OD1 2.64Å; R46-D61 PolarHBondContact NE-OD1 2.94Å; R46-D61 VanDerWaalsContact NE-OD1 3.15Å; R46-D61 IonicContact NE-OD2 3.62Å; R46-D61 PolarHBondContact NE-OD2 3.26Å; R46-D61 IonicContact NH2-OD1 2.78Å; R46-D61 IonicContact NH2-OD2 3.62Å; R46-D61 PolarHBondContact NH2-OD2 3.17Å
47L91.4Very high89.9Confident115 Ų11592.5 Ų92.560%0.60245%0.449SS*.EExtended strand (participates in β ladder)trans-88.8123.1167.8-74.4165.4000109.2R58L47-R58 HydrophobicContact CD2-CG 3.4Å; L47-R58 HydrophobicContact CG-CG 4.43Å
48T90.5Very high89.7Confident47 Ų4798.7 Ų98.729%0.28847%0.47SS..EExtended strand (participates in β ladder)trans-119.1125.717753.30000109.8R46 K57R46-T48 HydrophobicContact CG-CG2 4.12Å; T48-K57 PolarHBondContact N-O 3.34Å; T48-K57 PolarHBondContact O-N 3.08Å; T48-K57 PolarHBondContact OG1-O 3.17Å
49A88.5Confident89.5Confident78 Ų78100.5 Ų100.565%0.64548%0.482SS*.EExtended strand (participates in β ladder)trans-87.8126.3175.600000109.7L56A49-L56 HydrophobicContact CB-CD2 3.92Å
50F84.2Confident89.4Confident108 Ų10899.2 Ų99.247%0.47448%0.479SS..  trans-83.3126.4172.1-81.8-91.8000109.4K52 S55 K57F50-K52 PolarHBondContact O-N 3.02Å; F50-S55 PolarHBondContact N-O 3.07Å; F50-K57 HydrophobicContact CD2-CB 4.06Å; F50-K57 HydrophobicContact CE2-CB 3.58Å; F50-K57 HydrophobicContact CE2-CD 3.65Å; F50-K57 HydrophobicContact CE2-CG 4.24Å; F50-K57 HydrophobicContact CZ-CD 4.08Å
51R79.6Confident89.3Confident257 Ų257100.8 Ų100.897%0.9749%0.487SS*.THydrogen-bonded Turntrans-66.8-18-178.9-67.7-175.1-179.7177-0.2114.3
52K80.7Confident89.3Confident186 Ų18698.4 Ų98.481%0.80948%0.477SS*.THydrogen-bonded Turntrans-90.8-27-172.8-70.6-171.3177.7-175.80114.1F50F50-K52 PolarHBondContact O-N 3.02Å
53Y76.4Confident89.5Confident170 Ų17096.8 Ų96.867%0.66746%0.459SS*.SBendtrans-137.3135.9-178.5-57.3-73.6000105.3S55Y53-S55 PolarHBondContact O-N 3.03Å
54D81Confident89.5Confident186 Ų18698.2 Ų98.2100%0.99547%0.467SS*.SBendtrans-69.948.2-179.9-164.327.7000112.1
55S88.1Confident89.5Confident61 Ų6197.7 Ų97.743%0.42746%0.464SS..  trans-116.9132.4-175.965.10000110.1F50 Y53F50-S55 PolarHBondContact N-O 3.07Å; Y53-S55 PolarHBondContact O-N 3.03Å
56L89.2Confident89.4Confident126 Ų12697.9 Ų97.966%0.6647%0.47SS*.EExtended strand (participates in β ladder)trans-93.1128.4173.4-68.1165.9000108.6A49A49-L56 HydrophobicContact CB-CD2 3.92Å
57K90.2Very high89.5Confident115 Ų11595.6 Ų95.650%0.547%0.472SS..EExtended strand (participates in β ladder)trans-104.2130.7171.8-174.7179.7-180-178.40109.9T48 F50T48-K57 PolarHBondContact N-O 3.34Å; T48-K57 PolarHBondContact O-N 3.08Å; T48-K57 PolarHBondContact OG1-O 3.17Å; F50-K57 HydrophobicContact CD2-CB 4.06Å; F50-K57 HydrophobicContact CE2-CB 3.58Å; F50-K57 HydrophobicContact CE2-CD 3.65Å; F50-K57 HydrophobicContact CE2-CG 4.24Å; F50-K57 HydrophobicContact CZ-CD 4.08Å
58R90.4Very high89.8Confident169 Ų16993 Ų9364%0.63846%0.457SS*.EExtended strand (participates in β ladder)trans-88126166.9-68.9177.974159.61.7108.9Y45 L47Y45-R58 HydrophobicContact CD1-CB 3.89Å; Y45-R58 HydrophobicContact CE1-CB 4.35Å; L47-R58 HydrophobicContact CD2-CG 3.4Å; L47-R58 HydrophobicContact CG-CG 4.43Å
59S92.2Very high90.1Very high37 Ų3791.1 Ų91.126%0.25945%0.445SS..EExtended strand (participates in β ladder)trans-132.4137.1173.953.90000110.3Y45 R46 D61Y45-S59 WeakPolarHBondContact CA-O 3.44Å; Y45-S59 WeakPolarHBondContact CD1-O 3.28Å; R46-S59 PolarHBondContact N-O 3.34Å; R46-S59 PolarHBondContact O-N 2.9Å; S59-D61 PolarHBondContact O-N 3.1Å
60E93.8Very high90.5Very high41 Ų4188.1 Ų88.119%0.19242%0.42CS..EExtended strand (participates in β ladder)trans-65.1129.4175.4-64.1169.4-173.700109S29 Y39 D41 G42 Y45S29-E60 PolarHBondContact OG-OE2 3.29Å; Y39-E60 HydrophobicContact CD1-CB 3.96Å; Y39-E60 WeakPolarHBondContact CE1-O 3.42Å; D41-E60 WeakPolarHBondContact CA-OE1 3.5Å; G42-E60 PolarHBondContact N-OE1 3.28Å; G42-E60 VanDerWaalsContact N-OE1 3.13Å; Y45-E60 HydrophobicContact CD1-CG 4.04Å; Y45-E60 HydrophobicContact CE1-CB 4.37Å; Y45-E60 HydrophobicContact CE1-CG 3.37Å; Y45-E60 HydrophobicContact CE2-CG 4.49Å; Y45-E60 PolarHBondContact OH-OE1 2.67Å
61D95.1Very high91.1Very high35 Ų3583.4 Ų83.419%0.18740%0.4CS..PPolyproline II helixtrans-88.9141.7169.7-86.8-4.5000109.6N44 R46 S59N44-D61 WeakPolarHBondContact ND2-CB 3.48Å; N44-D61 PolarHBondContact ND2-O 3.47Å; N44-D61 WeakPolarHBondContact O-CB 3.44Å; N44-D61 PolarHBondContact O-N 3.4Å; R46-D61 WeakPolarHBondContact CB-OD1 3.42Å; R46-D61 IonicContact CZ-OD1 2.74Å; R46-D61 IonicContact CZ-OD2 2.78Å; R46-D61 IonicContact NE-OD1 2.64Å; R46-D61 PolarHBondContact NE-OD1 2.94Å; R46-D61 VanDerWaalsContact NE-OD1 3.15Å; R46-D61 IonicContact NE-OD2 3.62Å; R46-D61 PolarHBondContact NE-OD2 3.26Å; R46-D61 IonicContact NH2-OD1 2.78Å; R46-D61 IonicContact NH2-OD2 3.62Å; R46-D61 PolarHBondContact NH2-OD2 3.17Å; S59-D61 PolarHBondContact O-N 3.1Å
62P96.4Very high91.8Very high45 Ų4571.5 Ų71.529%0.29236%0.356SS..PPolyproline II helixtrans-67.1146.8179.627.8-33.9000111.7L37 V38 Y39L37-P62 HydrophobicContact CB-CB 3.89Å; L37-P62 HydrophobicContact CD1-CB 3.87Å; L37-P62 HydrophobicContact CD1-CG 4.11Å; L37-P62 HydrophobicContact CD2-CB 4.23Å; L37-P62 HydrophobicContact CG-CB 4.2Å; V38-P62 WeakPolarHBondContact O-CA 3.17Å; Y39-P62 HydrophobicContact CE1-CB 3.97Å; Y39-P62 HydrophobicContact CE1-CG 4.36Å; Y39-P62 HydrophobicContact CE2-CB 4.31Å
63L96.9Very high92.5Very high5 Ų562.7 Ų62.73%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-114.1147.8170.7-66.2167.1000110.2I16 L37 V38 V40 N44 Q68 V69I16-L63 HydrophobicContact CD1-CD1 3.72Å; I16-L63 HydrophobicContact CG1-CD1 3.75Å; I16-L63 HydrophobicContact CG2-CD1 4.15Å; L37-L63 CarbonylContact C-O 3.5Å; L37-L63 VanDerWaalsContact CA-O 3.28Å; L37-L63 WeakPolarHBondContact CA-O 3.44Å; V38-L63 HydrophobicContact CG2-CB 4.19Å; V38-L63 WeakPolarHBondContact CG2-O 3.46Å; V38-L63 PolarHBondContact N-O 3.43Å; V38-L63 PolarHBondContact O-N 3.07Å; V40-L63 HydrophobicContact CG2-CD1 4.16Å; N44-L63 HydrophobicContact CB-CD1 4.18Å; N44-L63 HydrophobicContact CB-CD2 4.38Å; N44-L63 HydrophobicContact CB-CG 4.29Å; N44-L63 VanDerWaalsContact ND2-CD2 3.32Å; N44-L63 WeakPolarHBondContact ND2-CD2 3.41Å; L63-Q68 VanDerWaalsContact CA-OE1 3.32Å; L63-Q68 HydrophobicContact CB-CB 4.23Å; L63-Q68 HydrophobicContact CD2-CB 4.24Å; L63-V69 HydrophobicContact CB-CG2 3.67Å; L63-V69 HydrophobicContact CD1-CG2 3.84Å; L63-V69 HydrophobicContact CG-CG2 4.39Å
64D95.6Very high93.3Very high44 Ų4457.5 Ų57.524%0.23531%0.305CS..EExtended strand (participates in β ladder)trans-74129.2173.9177.524.5000111.2D66 T67 Q68D64-D66 VanDerWaalsContact C-N 3.33Å; D64-D66 PolarHBondContact O-N 3.34Å; D64-T67 PolarHBondContact OD2-OG1 3.15Å; D64-Q68 HydrophobicContact CB-CB 4.45Å; D64-Q68 HydrophobicContact CB-CG 3.96Å; D64-Q68 WeakPolarHBondContact O-CB 3.33Å; D64-Q68 PolarHBondContact O-N 3.19Å; D64-Q68 VanDerWaalsContact O-N 3.13Å
65I94.3Very high93.9Very high13 Ų1351 Ų517%0.06727%0.274CS..THydrogen-bonded Turntrans-61-39.2-173.5-70.7171.4000112.2I8 V31 R36 V38I8-I65 HydrophobicContact CB-CG2 4.31Å; I8-I65 HydrophobicContact CD1-CG2 4.1Å; I8-I65 HydrophobicContact CG1-CG2 4.26Å; V31-I65 HydrophobicContact CG1-CD1 3.64Å; R36-I65 VanDerWaalsContact C-CD1 3.43Å; R36-I65 HydrophobicContact CB-CD1 4.38Å; R36-I65 VanDerWaalsContact O-CG1 3.27Å; R36-I65 WeakPolarHBondContact O-CG1 3.43Å; R36-I65 PolarHBondContact O-N 3.24Å; V38-I65 HydrophobicContact CB-CG1 4.14Å; V38-I65 HydrophobicContact CG1-CD1 3.85Å; V38-I65 HydrophobicContact CG1-CG1 3.43Å; V38-I65 VanDerWaalsContact CG1-CG1 3.43Å; V38-I65 HydrophobicContact CG2-CG1 3.88Å
66D91.5Very high94.1Very high79 Ų7952.5 Ų52.542%0.42228%0.277SS..THydrogen-bonded Turntrans-85.9-35.7-169.7-73.3-5.3000113.1R36 D64R36-D66 IonicContact CZ-OD1 3.57Å; R36-D66 IonicContact CZ-OD2 3.57Å; R36-D66 IonicContact NH1-OD2 3.15Å; R36-D66 PolarHBondContact NH1-OD2 3.4Å; R36-D66 IonicContact NH2-OD1 3.6Å; R36-D66 PolarHBondContact NH2-OD1 3.2Å; R36-D66 IonicContact NH2-OD2 2.94Å; R36-D66 PolarHBondContact NH2-OD2 3.37Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D64-D66 PolarHBondContact O-N 3.34Å
67T94.4Very high94.3Very high90 Ų9050.3 Ų50.355%0.55227%0.266SS*.THydrogen-bonded Turntrans-110.5-29.7-165.962.80000113.3D64D64-T67 PolarHBondContact OD2-OG1 3.15Å
68Q96.7Very high94.5Very high62 Ų6250 Ų5029%0.2927%0.266SS..THydrogen-bonded Turntrans-105.4-11.5-169-59.6-173.7-24.800113.3L17 C18 L63 D64L17-Q68 PolarHBondContact N-O 2.91Å; C18-Q68 WeakPolarHBondContact SG-CB 3.47Å; C18-Q68 WeakPolarHBondContact SG-CG 3.47Å; L63-Q68 VanDerWaalsContact CA-OE1 3.32Å; L63-Q68 HydrophobicContact CB-CB 4.23Å; L63-Q68 HydrophobicContact CD2-CB 4.24Å; D64-Q68 HydrophobicContact CB-CB 4.45Å; D64-Q68 HydrophobicContact CB-CG 3.96Å; D64-Q68 WeakPolarHBondContact O-CB 3.33Å; D64-Q68 PolarHBondContact O-N 3.19Å; D64-Q68 VanDerWaalsContact O-N 3.13Å
69V96.9Very high94.7Very high6 Ų644.3 Ų44.34%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-136.6142.3-173.7-176.70000110I8 V14 Q15 V38 L63I8-V69 HydrophobicContact CD1-CG1 4.2Å; V14-V69 HydrophobicContact CB-CG1 3.36Å; V14-V69 HydrophobicContact CG1-CG1 3.75Å; V14-V69 HydrophobicContact CG2-CG1 3.64Å; Q15-V69 WeakPolarHBondContact O-CA 3.39Å; V38-V69 HydrophobicContact CG2-CB 4.38Å; V38-V69 HydrophobicContact CG2-CG2 3.81Å; L63-V69 HydrophobicContact CB-CG2 3.67Å; L63-V69 HydrophobicContact CD1-CG2 3.84Å; L63-V69 HydrophobicContact CG-CG2 4.39Å
70A96.6Very high94.8Very high16 Ų1642.9 Ų42.913%0.13224%0.241CC..EExtended strand (participates in β ladder)trans-126.8146.4172.400000111.1V14 Q15 L17 P79V14-A70 CarbonylContact C-O 3.54Å; V14-A70 WeakPolarHBondContact CA-O 3.27Å; V14-A70 WeakPolarHBondContact CB-O 3.24Å; Q15-A70 PolarHBondContact N-O 3.4Å; Q15-A70 PolarHBondContact O-N 3.23Å; L17-A70 HydrophobicContact CD1-CB 4.11Å; L17-A70 HydrophobicContact CD2-CB 4.19Å; L17-A70 HydrophobicContact CG-CB 4.27Å; A70-P79 HydrophobicContact CB-CB 3.86Å
71L96.3Very high94.9Very high8 Ų848.8 Ų48.84%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-66.7145.2169.2-74.8168.9000109.8L7 I8 D12 V14 P79 C80 C82L7-L71 HydrophobicContact CB-CD1 4.41Å; I8-L71 HydrophobicContact CD1-CG 4.33Å; I8-L71 HydrophobicContact CG1-CD1 4.3Å; I8-L71 HydrophobicContact CG1-CD2 4.09Å; I8-L71 HydrophobicContact CG1-CG 3.94Å; D12-L71 HydrophobicContact CB-CD2 3.83Å; V14-L71 HydrophobicContact CG1-CD2 4.08Å; L71-P79 WeakPolarHBondContact O-CA 3.48Å; L71-C80 PolarHBondContact O-N 3.41Å; L71-C82 HydrophobicContact CD1-CB 4.06Å
72V96Very high94.9Very high8 Ų847.8 Ų47.85%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-96.7126.3174.8177.60000109.1R13 Q15 I25 N77R13-V72 PolarHBondContact O-N 3.41Å; R13-V72 VanDerWaalsContact O-N 3.15Å; Q15-V72 HydrophobicContact CB-CG2 3.94Å; I25-V72 HydrophobicContact CD1-CG1 4.48Å; I25-V72 HydrophobicContact CD1-CG2 4.29Å; I25-V72 HydrophobicContact CG1-CG2 4.2Å; I25-V72 HydrophobicContact CG2-CG2 4.12Å; V72-N77 HydrophobicContact CG1-CB 4.35Å
73D95.1Very high94.8Very high1 Ų147.2 Ų47.21%0.00526%0.259CS..PPolyproline II helixtrans-69.2124.9175.8-164-40.6000110.2S75 N77 E78 C80 S96 T99D73-S75 PolarHBondContact O-N 2.95Å; D73-S75 WeakPolarHBondContact OD1-CB 3.43Å; D73-S75 PolarHBondContact OD1-N 2.87Å; D73-S75 PolarHBondContact OD1-OG 2.83Å; D73-S75 PolarHBondContact OD2-OG 3.07Å; D73-N77 WeakPolarHBondContact O-CA 3.19Å; D73-N77 PolarHBondContact O-N 3.47Å; D73-E78 PolarHBondContact N-O 2.97Å; D73-C80 HydrophobicContact CB-CB 4.18Å; D73-S96 VanDerWaalsContact OD2-CB 3.31Å; D73-S96 WeakPolarHBondContact OD2-CB 3.23Å; D73-S96 PolarHBondContact OD2-OG 3.23Å; D73-T99 WeakPolarHBondContact OD2-CG2 3.14Å; D73-T99 PolarHBondContact OD2-OG1 2.88Å
74P92.6Very high94.7Very high61 Ų6149.6 Ų49.640%0.39627%0.267SS..THydrogen-bonded Turntrans-63.7-22.3178.326.7-35.9000113.9
75S93.3Very high94.7Very high49 Ų4953.7 Ų53.734%0.34328%0.28SS..THydrogen-bonded Turntrans-73.3-48.2-179.758.70000112.8D73D73-S75 PolarHBondContact O-N 2.95Å; D73-S75 WeakPolarHBondContact OD1-CB 3.43Å; D73-S75 PolarHBondContact OD1-N 2.87Å; D73-S75 PolarHBondContact OD1-OG 2.83Å; D73-S75 PolarHBondContact OD2-OG 3.07Å
76N92.4Very high94.7Very high92 Ų9260.7 Ų60.749%0.49231%0.306SS..THydrogen-bonded Turntrans-110.8-9.2-173.4-64-5000113.7E78 T99N76-E78 HydrophobicContact CB-CB 4.41Å; N76-E78 HydrophobicContact CB-CG 4.23Å; N76-E78 PolarHBondContact O-N 2.81Å; N76-T99 WeakPolarHBondContact ND2-CG2 3.39Å
77N93Very high94.9Very high80 Ų8059.4 Ų59.443%0.42830%0.301SS..  trans56.625-170.3-63.8-70000114.6R13 V72 D73R13-N77 PolarHBondContact NH1-OD1 3.02Å; V72-N77 HydrophobicContact CG1-CB 4.35Å; D73-N77 WeakPolarHBondContact O-CA 3.19Å; D73-N77 PolarHBondContact O-N 3.47Å
78E94.5Very high94.9Very high109 Ų10965.2 Ų65.251%0.50932%0.322SS..  trans-100.3152.5177.5-69.8-175.4163.600111.4D73 N76 C80D73-E78 PolarHBondContact N-O 2.97Å; N76-E78 HydrophobicContact CB-CB 4.41Å; N76-E78 HydrophobicContact CB-CG 4.23Å; N76-E78 PolarHBondContact O-N 2.81Å; E78-C80 PolarHBondContact O-N 2.8Å
79P95.8Very high94.8Very high49 Ų4970 Ų7032%0.31834%0.344SS..EExtended strand (participates in β ladder)trans-67.8125.3174.829.2-34000110.1Q15 A70 L71 Q98Q15-P79 HydrophobicContact CB-CB 4.43Å; A70-P79 HydrophobicContact CB-CB 3.86Å; L71-P79 WeakPolarHBondContact O-CA 3.48Å; P79-Q98 PolarHBondContact O-OE1 2.77Å
80C94.7Very high94.7Very high7 Ų772 Ų725%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-127153.1-176.371.80000112.3L71 D73 E78 C82L71-C80 PolarHBondContact O-N 3.41Å; D73-C80 HydrophobicContact CB-CB 4.18Å; E78-C80 PolarHBondContact O-N 2.8Å; C80-C82 VanDerWaalsContact SG-SG 3.64Å
81K94.6Very high94.6Very high165 Ų16575.5 Ų75.572%0.71738%0.383SS*.  trans-87.2133.2167.1-68.7-174.6179.8-178.60108.8L97K81-L97 HydrophobicContact CB-CD1 3.99Å; K81-L97 WeakPolarHBondContact O-CB 3.44Å; K81-L97 WeakPolarHBondContact O-CG 3.19Å; K81-L97 PolarHBondContact O-N 3.23Å
82C94.7Very high94.5Very high15 Ų1579.2 Ų79.210%0.10140%0.397CS..EExtended strand (participates in β ladder)trans-112.2155.6-179.2-64.50000111.4L7 L71 C80 V95 I103L7-C82 HydrophobicContact CD1-CB 4.3Å; L7-C82 WeakPolarHBondContact CD1-O 3.27Å; L7-C82 HydrophobicContact CD2-CB 4.27Å; L71-C82 HydrophobicContact CD1-CB 4.06Å; C80-C82 VanDerWaalsContact SG-SG 3.64Å; C82-V95 WeakPolarHBondContact CA-O 3.34Å; C82-I103 WeakPolarHBondContact SG-CD1 3.47Å
83S94.4Very high94.4Very high32 Ų3280.3 Ų80.322%0.22440%0.403CS..EExtended strand (participates in β ladder)trans-135.5150.4171.361.50000110V95 L97S83-V95 PolarHBondContact N-O 2.9Å; S83-V95 PolarHBondContact O-N 3.08Å; S83-L97 WeakPolarHBondContact OG-CD2 3.49Å
84W95.2Very high94.4Very high55 Ų5580.3 Ų80.321%0.20840%0.403CS..EExtended strand (participates in β ladder)trans-73.8132.9170.4-72.9113.7000110.2E4 Q6 L7 F9 R92 R94 L105E4-W84 PolarHBondContact O-NE1 3.1Å; Q6-W84 VanDerWaalsContact O-CZ2 3.26Å; Q6-W84 WeakPolarHBondContact O-CZ2 2.92Å; Q6-W84 PolarHBondContact O-NE1 3.35Å; L7-W84 HydrophobicContact CD2-CD2 4.18Å; L7-W84 HydrophobicContact CD2-CG 4.1Å; F9-W84 HydrophobicContact CE2-CH2 4Å; F9-W84 AromaticContact CE2-CZ2 3.78Å; F9-W84 HydrophobicContact CE2-CZ2 3.78Å; F9-W84 HydrophobicContact CZ-CH2 4.34Å; F9-W84 AromaticContact CZ-CZ2 3.99Å; F9-W84 HydrophobicContact CZ-CZ2 3.99Å; W84-R92 HydrophobicContact CD2-CG 4.41Å; W84-R92 HydrophobicContact CE3-CG 3.73Å; W84-R92 VanDerWaalsContact CG-NH2 3.33Å; W84-R92 HydrophobicContact CZ3-CG 4.17Å; W84-R94 HydrophobicContact CD2-CG 4.15Å; W84-R94 HydrophobicContact CE3-CG 3.69Å; W84-R94 HydrophobicContact CH2-CG 3.46Å; W84-R94 VanDerWaalsContact CH2-CG 3.46Å; W84-R94 HydrophobicContact CZ2-CG 3.91Å; W84-R94 HydrophobicContact CZ3-CB 4.43Å; W84-R94 HydrophobicContact CZ3-CG 3.33Å; W84-L105 HydrophobicContact CH2-CD2 4.22Å
85R95.2Very high94.6Very high131 Ų13177.9 Ų77.949%0.49439%0.387SS..EExtended strand (participates in β ladder)trans-136.5172.3171.7-63-167.5179.7-176.9-0.5110R92 V93 V95R85-R92 WeakPolarHBondContact O-CA 3.49Å; R85-V93 PolarHBondContact N-O 3.26Å; R85-V93 PolarHBondContact O-N 3.39Å; R85-V93 VanDerWaalsContact O-O 3.11Å; R85-V95 HydrophobicContact CB-CG2 3.89Å; R85-V95 HydrophobicContact CG-CB 4.26Å; R85-V95 HydrophobicContact CG-CG2 4.09Å
86Y95.5Very high94.7Very high160 Ų16075.6 Ų75.663%0.62737%0.371SS*.EExtended strand (participates in β ladder)trans-114.2138.5174.3-68.2-89.8000109.6N91 R92Y86-N91 WeakPolarHBondContact CA-O 3.32Å; Y86-R92 HydrophobicContact CD1-CB 4.08Å; Y86-R92 HydrophobicContact CD1-CG 4.49Å; Y86-R92 HydrophobicContact CE1-CB 3.72Å; Y86-R92 HydrophobicContact CE1-CG 4Å
87T94.8Very high94.8Very high52 Ų5276 Ų7632%0.31937%0.373SS..  trans-76.7169.6168.463.20000110.5E89 G90 N91 V93T87-E89 PolarHBondContact O-N 3.13Å; T87-G90 PolarHBondContact O-N 2.84Å; T87-N91 PolarHBondContact N-O 3.2Å; T87-N91 WeakPolarHBondContact OG1-CB 3.39Å; T87-N91 PolarHBondContact OG1-N 2.85Å; T87-N91 PolarHBondContact OG1-O 2.88Å; T87-V93 HydrophobicContact CG2-CB 4.43Å; T87-V93 HydrophobicContact CG2-CG1 3.83Å; T87-V93 HydrophobicContact CG2-CG2 3.69Å
88E95Very high94.8Very high211 Ų21178.3 Ų78.399%0.98638%0.381SS*.THydrogen-bonded Turntrans-59.6-27.6176.2-61.2177.6-178.400112.6G90E88-G90 PolarHBondContact O-N 3.18Å
89E95.2Very high94.8Very high162 Ų16275.8 Ų75.876%0.75737%0.373SS*.THydrogen-bonded Turntrans-76-6.1174.8-58.8176.9163.700113.5T87 N91T87-E89 PolarHBondContact O-N 3.13Å; E89-N91 PolarHBondContact OE2-ND2 3.18Å
90G94.4Very high94.7Very high49 Ų4975.6 Ų75.651%0.50538%0.38SS..  trans84.36.6-175.300000114.6T87 E88T87-G90 PolarHBondContact O-N 2.84Å; E88-G90 PolarHBondContact O-N 3.18Å
91N93.8Very high94.7Very high89 Ų8979.6 Ų79.648%0.47640%0.398SS..  trans-76.5130.1178.1-68.2-44.1000110.9Y86 T87 E89 V93Y86-N91 WeakPolarHBondContact CA-O 3.32Å; T87-N91 PolarHBondContact N-O 3.2Å; T87-N91 WeakPolarHBondContact OG1-CB 3.39Å; T87-N91 PolarHBondContact OG1-N 2.85Å; T87-N91 PolarHBondContact OG1-O 2.88Å; E89-N91 PolarHBondContact OE2-ND2 3.18Å; N91-V93 PolarHBondContact O-N 2.75Å
92R93.6Very high94.7Very high87 Ų8774.7 Ų74.733%0.32838%0.382SS..EExtended strand (participates in β ladder)trans-78.8119.1177.5-168.7179176.5-178.5-1.8110.3E4 W84 R85 Y86E4-R92 PolarHBondContact O-NH1 3.32Å; E4-R92 PolarHBondContact O-NH2 2.8Å; W84-R92 HydrophobicContact CD2-CG 4.41Å; W84-R92 HydrophobicContact CE3-CG 3.73Å; W84-R92 VanDerWaalsContact CG-NH2 3.33Å; W84-R92 HydrophobicContact CZ3-CG 4.17Å; R85-R92 WeakPolarHBondContact O-CA 3.49Å; Y86-R92 HydrophobicContact CD1-CB 4.08Å; Y86-R92 HydrophobicContact CD1-CG 4.49Å; Y86-R92 HydrophobicContact CE1-CB 3.72Å; Y86-R92 HydrophobicContact CE1-CG 4Å
93V95.2Very high94.7Very high31 Ų3174.5 Ų74.519%0.18838%0.38CS..EExtended strand (participates in β ladder)trans-130150.5-174.7-64.80000111.9R85 T87 N91 V95 V102R85-V93 PolarHBondContact N-O 3.26Å; R85-V93 PolarHBondContact O-N 3.39Å; R85-V93 VanDerWaalsContact O-O 3.11Å; T87-V93 HydrophobicContact CG2-CB 4.43Å; T87-V93 HydrophobicContact CG2-CG1 3.83Å; T87-V93 HydrophobicContact CG2-CG2 3.69Å; N91-V93 PolarHBondContact O-N 2.75Å; V93-V95 HydrophobicContact CG2-CG2 4.02Å; V93-V102 HydrophobicContact CB-CG1 3.89Å; V93-V102 HydrophobicContact CG1-CG1 4.26Å; V93-V102 HydrophobicContact CG2-CG1 4.3Å
94R95.4Very high94.6Very high1 Ų177.4 Ų77.40%0.00440%0.398CS..EExtended strand (participates in β ladder)trans-84.9131.5171.5-55.8179.9-64.2179-4.4108.4L7 D12 W84 V102 I103 P104L7-R94 HydrophobicContact CD2-CG 4.31Å; L7-R94 WeakPolarHBondContact O-CD 3.37Å; L7-R94 PolarHBondContact O-NH1 2.97Å; D12-R94 VanDerWaalsContact CG-NH1 3.31Å; D12-R94 IonicContact OD1-CZ 2.72Å; D12-R94 IonicContact OD1-NH1 3.17Å; D12-R94 PolarHBondContact OD1-NH1 2.72Å; D12-R94 IonicContact OD1-NH2 2.78Å; D12-R94 PolarHBondContact OD1-NH2 3.31Å; D12-R94 IonicContact OD2-CZ 3.53Å; D12-R94 IonicContact OD2-NH1 3.29Å; D12-R94 PolarHBondContact OD2-NH1 3.27Å; D12-R94 IonicContact OD2-NH2 2.69Å; W84-R94 HydrophobicContact CD2-CG 4.15Å; W84-R94 HydrophobicContact CE3-CG 3.69Å; W84-R94 HydrophobicContact CH2-CG 3.46Å; W84-R94 VanDerWaalsContact CH2-CG 3.46Å; W84-R94 HydrophobicContact CZ2-CG 3.91Å; W84-R94 HydrophobicContact CZ3-CB 4.43Å; W84-R94 HydrophobicContact CZ3-CG 3.33Å; R94-V102 CarbonylContact O-C 3.56Å; R94-V102 WeakPolarHBondContact O-CA 3.48Å; R94-I103 HydrophobicContact CB-CB 4.34Å; R94-I103 PolarHBondContact NE-O 3.27Å; R94-I103 PolarHBondContact O-N 3.42Å; R94-P104 PolarHBondContact NH2-O 3.49Å
95V95.9Very high94.6Very high10 Ų1078.7 Ų78.76%0.06141%0.408CS..EExtended strand (participates in β ladder)trans-124.6131.2179-176.70000109.1C82 S83 R85 V93 G100 V102C82-V95 WeakPolarHBondContact CA-O 3.34Å; S83-V95 PolarHBondContact N-O 2.9Å; S83-V95 PolarHBondContact O-N 3.08Å; R85-V95 HydrophobicContact CB-CG2 3.89Å; R85-V95 HydrophobicContact CG-CB 4.26Å; R85-V95 HydrophobicContact CG-CG2 4.09Å; V93-V95 HydrophobicContact CG2-CG2 4.02Å; V95-G100 WeakPolarHBondContact CG1-O 3.26Å; V95-V102 HydrophobicContact CG2-CG2 4.28Å
96S96.2Very high94.5Very high1 Ų173.6 Ų73.61%0.00739%0.392CS..EExtended strand (participates in β ladder)trans-69.3138.1174.674.90000110D73 Q98 T99 G100 H101D73-S96 VanDerWaalsContact OD2-CB 3.31Å; D73-S96 WeakPolarHBondContact OD2-CB 3.23Å; D73-S96 PolarHBondContact OD2-OG 3.23Å; S96-Q98 VanDerWaalsContact C-N 3.3Å; S96-T99 PolarHBondContact OG-N 2.79Å; S96-T99 PolarHBondContact OG-OG1 3.05Å; S96-G100 VanDerWaalsContact O-CA 3.25Å; S96-G100 WeakPolarHBondContact O-CA 3.48Å; S96-G100 PolarHBondContact O-N 2.78Å; S96-G100 VanDerWaalsContact O-N 3.15Å; S96-G100 PolarHBondContact OG-N 2.64Å; S96-H101 PolarHBondContact N-O 2.74Å; S96-H101 PolarHBondContact OG-N 2.78Å; S96-H101 PolarHBondContact OG-O 2.7Å
97L94.8Very high94.2Very high100 Ų10068.5 Ų68.552%0.52438%0.383SS..THydrogen-bonded Turntrans-76.7-19.7-179.8-68.7175.7000112.9K81 S83K81-L97 HydrophobicContact CB-CD1 3.99Å; K81-L97 WeakPolarHBondContact O-CB 3.44Å; K81-L97 WeakPolarHBondContact O-CG 3.19Å; K81-L97 PolarHBondContact O-N 3.23Å; S83-L97 WeakPolarHBondContact OG-CD2 3.49Å
98Q93.1Very high94Very high128 Ų12867 Ų6760%0.59838%0.377SS*.THydrogen-bonded Turntrans-88.7-53.9-175.9-72169.4-41.200112.3P79 S96P79-Q98 PolarHBondContact O-OE1 2.77Å; S96-Q98 VanDerWaalsContact C-N 3.3Å
99T93.5Very high93.6Very high56 Ų5658.5 Ų58.534%0.34434%0.342SS..THydrogen-bonded Turntrans-96.3-16.9-176.667.90000112.3D73 N76 S96 H101D73-T99 WeakPolarHBondContact OD2-CG2 3.14Å; D73-T99 PolarHBondContact OD2-OG1 2.88Å; N76-T99 WeakPolarHBondContact ND2-CG2 3.39Å; S96-T99 PolarHBondContact OG-N 2.79Å; S96-T99 PolarHBondContact OG-OG1 3.05Å; T99-H101 PolarHBondContact O-N 3.09Å; T99-H101 VanDerWaalsContact OG1-CB 3.24Å; T99-H101 WeakPolarHBondContact OG1-CB 3.42Å; T99-H101 PolarHBondContact OG1-N 3.16Å; T99-H101 VanDerWaalsContact OG1-N 3.16Å
100G93.8Very high93.2Very high46 Ų4656.2 Ų56.247%0.47433%0.326SS..  trans73.36.2-171.200000113.2V95 S96V95-G100 WeakPolarHBondContact CG1-O 3.26Å; S96-G100 VanDerWaalsContact O-CA 3.25Å; S96-G100 WeakPolarHBondContact O-CA 3.48Å; S96-G100 PolarHBondContact O-N 2.78Å; S96-G100 VanDerWaalsContact O-N 3.15Å; S96-G100 PolarHBondContact OG-N 2.64Å
101H94.4Very high92.7Very high90 Ų9058.7 Ų58.742%0.41732%0.321SS..  trans-71.9140.8-178.9-159.5-69.3000110.9S96 T99S96-H101 PolarHBondContact N-O 2.74Å; S96-H101 PolarHBondContact OG-N 2.78Å; S96-H101 PolarHBondContact OG-O 2.7Å; T99-H101 PolarHBondContact O-N 3.09Å; T99-H101 VanDerWaalsContact OG1-CB 3.24Å; T99-H101 WeakPolarHBondContact OG1-CB 3.42Å; T99-H101 PolarHBondContact OG1-N 3.16Å; T99-H101 VanDerWaalsContact OG1-N 3.16Å
102V95.1Very high92Very high63 Ų6359.7 Ų59.738%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-75.9126.6174.2178.90000109.3V93 R94 V95 P104V93-V102 HydrophobicContact CB-CG1 3.89Å; V93-V102 HydrophobicContact CG1-CG1 4.26Å; V93-V102 HydrophobicContact CG2-CG1 4.3Å; R94-V102 CarbonylContact O-C 3.56Å; R94-V102 WeakPolarHBondContact O-CA 3.48Å; V95-V102 HydrophobicContact CG2-CG2 4.28Å; V102-P104 WeakPolarHBondContact O-CD 3.3Å
103I94.7Very high91.3Very high11 Ų1162.7 Ų62.76%0.05635%0.349CS..EExtended strand (participates in β ladder)trans-99.5105.1175.1-52.6-168.2000108.7C82 R94C82-I103 WeakPolarHBondContact SG-CD1 3.47Å; R94-I103 HydrophobicContact CB-CB 4.34Å; R94-I103 PolarHBondContact NE-O 3.27Å; R94-I103 PolarHBondContact O-N 3.42Å
104P93.1Very high90.8Very high92 Ų9265.7 Ų65.760%0.59736%0.364SS*.PPolyproline II helixtrans-65.7152.5-176.628.4-35000111.2R94 V102R94-P104 PolarHBondContact NH2-O 3.49Å; V102-P104 WeakPolarHBondContact O-CD 3.3Å
105L93.5Very high90.3Very high82 Ų8271.7 Ų71.743%0.42940%0.395SS..PPolyproline II helixtrans-72134.3171.8-71.7171.3000110.1F9 W84 A109F9-L105 HydrophobicContact CD2-CD2 3.31Å; F9-L105 HydrophobicContact CE2-CD2 3.43Å; F9-L105 VanDerWaalsContact CE2-CD2 3.43Å; F9-L105 HydrophobicContact CG-CD2 4.05Å; F9-L105 HydrophobicContact CZ-CD2 4.24Å; W84-L105 HydrophobicContact CH2-CD2 4.22Å; L105-A109 HydrophobicContact CB-CB 4.39Å
106P93Very high89.9Confident24 Ų2473.9 Ų73.916%0.15641%0.409CS..PPolyproline II helixtrans-67.3154.417928.1-34000110.2F9 K10 D12 A108 A109F9-P106 HydrophobicContact CB-CG 4.43Å; K10-P106 WeakPolarHBondContact O-CG 3.37Å; D12-P106 WeakPolarHBondContact OD1-CD 3.48Å; D12-P106 WeakPolarHBondContact OD1-CG 3.39Å; P106-A108 PolarHBondContact O-N 2.92Å; P106-A109 HydrophobicContact CG-CB 3.99Å; P106-A109 VanDerWaalsContact O-CB 3.27Å; P106-A109 WeakPolarHBondContact O-CB 3.21Å; P106-A109 PolarHBondContact O-N 3.48Å
107A90.3Very high89.5Confident53 Ų5374.8 Ų74.844%0.43841%0.413SS..G310 helixtrans-56.4-35.4177.700000112A109 R110A107-A109 PolarHBondContact O-N 2.77Å; A107-R110 WeakPolarHBondContact O-CB 3.41Å; A107-R110 WeakPolarHBondContact O-CG 3.42Å; A107-R110 PolarHBondContact O-N 3.28Å; A107-R110 VanDerWaalsContact O-N 3.07Å
108A89.8Confident89.2Confident22 Ų2274.2 Ų74.218%0.18242%0.415CS..G310 helixtrans-69.7-13177.700000114.6K10 P106 R110 Y111K10-A108 HydrophobicContact CB-CB 4.45Å; K10-A108 HydrophobicContact CD-CB 4.44Å; K10-A108 HydrophobicContact CG-CB 4.11Å; K10-A108 CarbonylContact O-C 3.57Å; K10-A108 WeakPolarHBondContact O-CB 3.22Å; P106-A108 PolarHBondContact O-N 2.92Å; A108-R110 PolarHBondContact O-N 2.85Å; A108-Y111 VanDerWaalsContact CA-CD2 3.44Å; A108-Y111 HydrophobicContact CB-CD2 3.79Å; A108-Y111 HydrophobicContact CB-CE2 3.66Å; A108-Y111 WeakPolarHBondContact O-CD2 3.42Å
109A88Confident89Confident31 Ų3175.6 Ų75.626%0.25642%0.419SS..G310 helixtrans-70.7-17.2170.100000112.4F9 K10 L105 P106 A107F9-A109 HydrophobicContact CB-CB 3.63Å; F9-A109 HydrophobicContact CD1-CB 4.2Å; F9-A109 HydrophobicContact CG-CB 3.98Å; K10-A109 PolarHBondContact O-N 3.43Å; L105-A109 HydrophobicContact CB-CB 4.39Å; P106-A109 HydrophobicContact CG-CB 3.99Å; P106-A109 VanDerWaalsContact O-CB 3.27Å; P106-A109 WeakPolarHBondContact O-CB 3.21Å; P106-A109 PolarHBondContact O-N 3.48Å; A107-A109 PolarHBondContact O-N 2.77Å
110R85Confident88.9Confident114 Ų11477.6 Ų77.643%0.4343%0.432SS..G310 helixtrans-84.5-11.2-179.5-52.6-176.4-145.6134.93.8113.8A107 A108 L112A107-R110 WeakPolarHBondContact O-CB 3.41Å; A107-R110 WeakPolarHBondContact O-CG 3.42Å; A107-R110 PolarHBondContact O-N 3.28Å; A107-R110 VanDerWaalsContact O-N 3.07Å; A108-R110 PolarHBondContact O-N 2.85Å; R110-L112 PolarHBondContact O-N 3.19Å
111Y84.4Confident88.7Confident101 Ų10178.1 Ų78.140%0.39643%0.431SS..  trans-59.1130.3177.3-74.5-62000109.7A108 L115 D117A108-Y111 VanDerWaalsContact CA-CD2 3.44Å; A108-Y111 HydrophobicContact CB-CD2 3.79Å; A108-Y111 HydrophobicContact CB-CE2 3.66Å; A108-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y111-L115 WeakPolarHBondContact CD1-O 3.42Å; Y111-D117 HydrophobicContact CD1-CB 3.84Å; Y111-D117 HydrophobicContact CE1-CB 3.54Å
112L78.5Confident88.5Confident111 Ų11179.9 Ų79.958%0.58145%0.449SS*.  trans-73169.6172.7-178.763.2000109.9R110 D114 L115 T116R110-L112 PolarHBondContact O-N 3.19Å; L112-D114 VanDerWaalsContact CB-OD1 3.22Å; L112-D114 WeakPolarHBondContact CB-OD1 3.38Å; L112-D114 WeakPolarHBondContact CG-OD1 3.39Å; L112-D114 PolarHBondContact O-N 2.69Å; L112-D114 VanDerWaalsContact O-N 3.1Å; L112-L115 PolarHBondContact O-N 2.65Å; L112-T116 PolarHBondContact N-O 3.31Å; L112-T116 VanDerWaalsContact N-O 3.1Å
113D79.7Confident88.3Confident150 Ų15082.3 Ų82.380%0.80246%0.463SS*.THydrogen-bonded Turntrans-58.7-21.7-178.7-68.8-24.2000113.3L115D113-L115 VanDerWaalsContact C-N 3.29Å
114D85.7Confident88.2Confident94 Ų9484.3 Ų84.350%0.50348%0.479SS..THydrogen-bonded Turntrans-84.74.5174.670.5-21.1000114L112 T116L112-D114 VanDerWaalsContact CB-OD1 3.22Å; L112-D114 WeakPolarHBondContact CB-OD1 3.38Å; L112-D114 WeakPolarHBondContact CG-OD1 3.39Å; L112-D114 PolarHBondContact O-N 2.69Å; L112-D114 VanDerWaalsContact O-N 3.1Å; D114-T116 PolarHBondContact O-N 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.31Å; D114-T116 PolarHBondContact OD1-N 3.3Å; D114-T116 VanDerWaalsContact OD1-N 3.08Å; D114-T116 PolarHBondContact OD1-OG1 2.86Å; D114-T116 WeakPolarHBondContact OD2-CB 3.44Å; D114-T116 PolarHBondContact OD2-OG1 3.46Å
115L84Confident88.3Confident127 Ų12786.2 Ų86.267%0.66549%0.494SS*.SBendtrans66.915.7-176.7-50.2172.9000114.7Y111 L112 D113Y111-L115 WeakPolarHBondContact CD1-O 3.42Å; L112-L115 PolarHBondContact O-N 2.65Å; D113-L115 VanDerWaalsContact C-N 3.29Å
116T87Confident88.4Confident56 Ų5691.4 Ų91.434%0.34451%0.513SS..  trans-87.2135.3175.6-520000110.4L112 D114 A121L112-T116 PolarHBondContact N-O 3.31Å; L112-T116 VanDerWaalsContact N-O 3.1Å; D114-T116 PolarHBondContact O-N 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.31Å; D114-T116 PolarHBondContact OD1-N 3.3Å; D114-T116 VanDerWaalsContact OD1-N 3.08Å; D114-T116 PolarHBondContact OD1-OG1 2.86Å; D114-T116 WeakPolarHBondContact OD2-CB 3.44Å; D114-T116 PolarHBondContact OD2-OG1 3.46Å; T116-A121 HydrophobicContact CG2-CB 3.95Å
117D89.3Confident88.4Confident19 Ų1994.3 Ų94.310%0.10253%0.527CS..  trans-86.9118.2166.7177.30.4000108.1Y111 K119 T120 A121Y111-D117 HydrophobicContact CD1-CB 3.84Å; Y111-D117 HydrophobicContact CE1-CB 3.54Å; D117-K119 PolarHBondContact O-N 2.92Å; D117-K119 VanDerWaalsContact O-N 3.08Å; D117-K119 PolarHBondContact OD1-N 3.37Å; D117-T120 WeakPolarHBondContact CB-OG1 3.41Å; D117-T120 PolarHBondContact O-N 2.83Å; D117-T120 PolarHBondContact O-OG1 3.44Å; D117-A121 PolarHBondContact O-N 2.94Å
118P88.4Confident88.6Confident88 Ų8897 Ų9757%0.57154%0.538SS*.THydrogen-bonded Turntrans-59.2-24.1-177.723.9-35.3000113.2
119K88.9Confident88.8Confident157 Ų15799.8 Ų99.868%0.68356%0.556SS**THydrogen-bonded Turntrans-78-25.4178.9-66.7-167.2177.7-1710113.8D117D117-K119 PolarHBondContact O-N 2.92Å; D117-K119 VanDerWaalsContact O-N 3.08Å; D117-K119 PolarHBondContact OD1-N 3.37Å
120T89.8Confident89Confident99 Ų99105.6 Ų105.661%0.60758%0.578SS**THydrogen-bonded Turntrans-108.5-2.9-177.262.30000112.6D117 T122D117-T120 WeakPolarHBondContact CB-OG1 3.41Å; D117-T120 PolarHBondContact O-N 2.83Å; D117-T120 PolarHBondContact O-OG1 3.44Å; T120-T122 PolarHBondContact O-N 3.22Å
121A90Very high89.4Confident56 Ų56105.1 Ų105.146%0.46359%0.589SS.*PPolyproline II helixtrans-55.4126.2177.300000111.2T116 D117T116-A121 HydrophobicContact CG2-CB 3.95Å; D117-A121 PolarHBondContact O-N 2.94Å
122T90.9Very high89.8Confident127 Ų127103.3 Ų103.378%0.77960%0.595SS**PPolyproline II helixtrans-94.4132.817755.60000110.2T120 S124T120-T122 PolarHBondContact O-N 3.22Å; T122-S124 PolarHBondContact O-N 2.91Å
123V91.5Very high90.6Very high114 Ų114102.7 Ų102.769%0.69160%0.596SS**PPolyproline II helixtrans-70.5125.6178-175.50000110.2D127V123-D127 HydrophobicContact CG1-CB 3.8Å
124S91.4Very high91.3Very high54 Ų5499.7 Ų99.738%0.37859%0.586SS.*PPolyproline II helixtrans-83.4164.3175.799.90000111.9T122 K126 D127T122-S124 PolarHBondContact O-N 2.91Å; S124-K126 PolarHBondContact O-N 2.91Å; S124-K126 PolarHBondContact OG-N 2.78Å; S124-K126 VanDerWaalsContact OG-N 3.16Å; S124-D127 WeakPolarHBondContact CB-OD2 3.41Å; S124-D127 PolarHBondContact N-OD2 3.37Å; S124-D127 PolarHBondContact O-N 2.78Å; S124-D127 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-OD1 2.68Å; S124-D127 PolarHBondContact OG-OD2 2.84Å
125S94.9Very high91.7Very high131 Ų131100.7 Ų100.792%0.91659%0.591SS**THydrogen-bonded Turntrans-66.6-15.2176.454.20000114.3
126K95.3Very high92Very high192 Ų192100.6 Ų100.684%0.83560%0.595SS**THydrogen-bonded Turntrans-100.9-1.5177.2-65.8-177.4179.1178.60112.9S124S124-K126 PolarHBondContact O-N 2.91Å; S124-K126 PolarHBondContact OG-N 2.78Å; S124-K126 VanDerWaalsContact OG-N 3.16Å
127D94.8Very high92.1Very high84 Ų84103.4 Ų103.445%0.44962%0.617SS.*SBendtrans-85.3142-177.2-62-5.6000110.3V123 S124V123-D127 HydrophobicContact CG1-CB 3.8Å; S124-D127 WeakPolarHBondContact CB-OD2 3.41Å; S124-D127 PolarHBondContact N-OD2 3.37Å; S124-D127 PolarHBondContact O-N 2.78Å; S124-D127 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-OD1 2.68Å; S124-D127 PolarHBondContact OG-OD2 2.84Å
128T94.4Very high91.9Very high110 Ų110109.3 Ų109.368%0.67565%0.648SS**PPolyproline II helixtrans-76128.8176.42.80000110.6V133T128-V133 HydrophobicContact CG2-CG2 4.42Å
129C92.8Very high91.6Very high80 Ų80110.3 Ų110.354%0.54165%0.649SS.*PPolyproline II helixtrans-64.7145.6176.6-59.40000111.9P131 A132 V133C129-P131 HydrophobicContact CB-CG 4.27Å; C129-A132 WeakPolarHBondContact O-CB 2.96Å; C129-A132 PolarHBondContact O-N 2.92Å; C129-V133 PolarHBondContact O-N 2.84Å
130E92.3Very high90.9Very high154 Ų154108.1 Ų108.172%0.7265%0.653SS**Hα-helixtrans-45.9-49.6177.8-173.1-177.6-173.900114.9A132 V133 C134E130-A132 PolarHBondContact O-N 3.05Å; E130-V133 PolarHBondContact O-N 2.98Å; E130-V133 VanDerWaalsContact O-N 3.11Å; E130-C134 PolarHBondContact O-N 2.85Å; E130-C134 PolarHBondContact O-SG 2.69Å
131P93.3Very high90.4Very high103 Ų103109 Ų10967%0.66966%0.659SS**Hα-helixtrans-64-28.1-178.824.7-36.2000113.5C129 N135C129-P131 HydrophobicContact CB-CG 4.27Å; P131-N135 WeakPolarHBondContact O-CB 3.18Å; P131-N135 PolarHBondContact O-N 2.87Å
132A94.1Very high89.9Confident64 Ų64109.8 Ų109.853%0.52966%0.661SS.*Hα-helixtrans-74.7-35.2176.500000111.6C129 E130C129-A132 WeakPolarHBondContact O-CB 2.96Å; C129-A132 PolarHBondContact O-N 2.92Å; E130-A132 PolarHBondContact O-N 3.05Å
133V94.4Very high89.7Confident98 Ų98109 Ų10959%0.59467%0.667SS**Hα-helixtrans-74.3-41.2178.4-179.30000111.6T128 C129 E130 N135T128-V133 HydrophobicContact CG2-CG2 4.42Å; C129-V133 PolarHBondContact O-N 2.84Å; E130-V133 PolarHBondContact O-N 2.98Å; E130-V133 VanDerWaalsContact O-N 3.11Å; V133-N135 PolarHBondContact O-N 2.87Å
134C94Very high89.5Confident87 Ų87107.2 Ų107.259%0.58866%0.656SS**Hα-helixtrans-74.4-13.7-179.1-67.50000113.5E130 V136E130-C134 PolarHBondContact O-N 2.85Å; E130-C134 PolarHBondContact O-SG 2.69Å; C134-V136 PolarHBondContact O-N 3.15Å
135N93.7Very high89.4Confident115 Ų115106.9 Ų106.962%0.61565%0.654SS**  trans-71.6110.4179.7-17413.7000111P131 V133 S137P131-N135 WeakPolarHBondContact O-CB 3.18Å; P131-N135 PolarHBondContact O-N 2.87Å; V133-N135 PolarHBondContact O-N 2.87Å; N135-S137 PolarHBondContact O-N 2.8Å; N135-S137 VanDerWaalsContact O-N 3.14Å
136V91.3Very high89.1Confident124 Ų124107.6 Ų107.675%0.75264%0.641SS**  trans-79.198.1176.7-175.50000109C134C134-V136 PolarHBondContact O-N 3.15Å
137S88.4Confident88.9Confident116 Ų116103.9 Ų103.981%0.81163%0.627SS**  trans-88.3-14.8177.756.90000113.9N135 N139N135-S137 PolarHBondContact O-N 2.8Å; N135-S137 VanDerWaalsContact O-N 3.14Å; S137-N139 PolarHBondContact O-N 3.48Å
138L86.3Confident88.6Confident143 Ų143105.4 Ų105.475%0.74963%0.631SS**  trans-78.8118.5-176.3-173.370.6000111.2
139N81.8Confident88.4Confident108 Ų108102.8 Ų102.858%0.57862%0.617SS**  trans-88.7106166-174.6-11000109.5S137 T141S137-N139 PolarHBondContact O-N 3.48Å; N139-T141 PolarHBondContact O-N 3.27Å; N139-T141 VanDerWaalsContact O-N 3.08Å; N139-T141 PolarHBondContact OD1-N 3.3Å; N139-T141 PolarHBondContact OD1-OG1 3.36Å
140S73.1Confident88.2Confident112 Ų112101.7 Ų101.778%0.78361%0.606SS**THydrogen-bonded Turntrans-66.6-8-175.155.50000115.2
141T79.6Confident88.1Confident118 Ų11897.5 Ų97.572%0.72459%0.585SS**THydrogen-bonded Turntrans-88.9-15.5-169.6-41.70000113.1N139 A143N139-T141 PolarHBondContact O-N 3.27Å; N139-T141 VanDerWaalsContact O-N 3.08Å; N139-T141 PolarHBondContact OD1-N 3.3Å; N139-T141 PolarHBondContact OD1-OG1 3.36Å; T141-A143 PolarHBondContact O-N 3.49Å
142S80.1Confident87.8Confident72 Ų72101.4 Ų101.450%0.50359%0.592SS.*  trans-77.8118.2-174.457.40000112.4V144S142-V144 PolarHBondContact O-N 3.09Å
143A86.2Confident87.7Confident111 Ų111105.1 Ų105.192%0.91760%0.598SS**  trans-76.325.117300000113.9T141T141-A143 PolarHBondContact O-N 3.49Å
144V86.6Confident87.7Confident75 Ų75105.7 Ų105.746%0.45560%0.597SS.*SBendtrans-109138.4-172.1-176.80000108.5S142 Q148S142-V144 PolarHBondContact O-N 3.09Å; V144-Q148 HydrophobicContact CG1-CB 3.29Å; V144-Q148 HydrophobicContact CG1-CG 4.4Å
145S89.2Confident87.5Confident48 Ų48110 Ų11034%0.33661%0.606SS.*  trans-65.2159.3174.756.40000111.7E147 Q148 S149S145-E147 VanDerWaalsContact C-N 3.28Å; S145-E147 PolarHBondContact O-N 3.38Å; S145-Q148 PolarHBondContact O-N 3.47Å; S145-Q148 WeakPolarHBondContact OG-CB 3.21Å; S145-Q148 WeakPolarHBondContact OG-CG 3.46Å; S145-Q148 PolarHBondContact OG-N 3.36Å; S145-Q148 PolarHBondContact OG-OE1 2.82Å; S145-S149 PolarHBondContact O-N 2.85Å
146F90.2Very high87.2Confident145 Ų145109 Ų10964%0.63660%0.6SS**Hα-helixtrans-57.8-44178.8174.3-109.5000111.5S149 L150F146-S149 WeakPolarHBondContact O-CB 3.5Å; F146-S149 PolarHBondContact O-N 3.15Å; F146-L150 HydrophobicContact CD1-CD1 3.96Å; F146-L150 HydrophobicContact CD2-CG 4.49Å; F146-L150 HydrophobicContact CE1-CD1 3.3Å; F146-L150 HydrophobicContact CE1-CG 4.14Å; F146-L150 HydrophobicContact CE2-CD1 4.06Å; F146-L150 HydrophobicContact CE2-CD2 4.4Å; F146-L150 HydrophobicContact CE2-CG 4.08Å; F146-L150 HydrophobicContact CZ-CD1 3.37Å; F146-L150 HydrophobicContact CZ-CD2 4.31Å; F146-L150 HydrophobicContact CZ-CG 3.9Å; F146-L150 PolarHBondContact O-N 2.84Å
147E90.5Very high86.6Confident115 Ų115110.2 Ų110.254%0.53760%0.602SS.*Hα-helixtrans-60.2-52.1177.9-6277.5-17300110.2S145 S149 L150 F151S145-E147 VanDerWaalsContact C-N 3.28Å; S145-E147 PolarHBondContact O-N 3.38Å; E147-S149 VanDerWaalsContact C-N 3.27Å; E147-S149 PolarHBondContact O-N 2.92Å; E147-L150 CarbonylContact O-C 3.5Å; E147-L150 WeakPolarHBondContact O-CB 3.35Å; E147-L150 PolarHBondContact O-N 2.92Å; E147-L150 VanDerWaalsContact O-N 3.11Å; E147-F151 HydrophobicContact CB-CD2 4.42Å; E147-F151 WeakPolarHBondContact O-CD2 3.25Å; E147-F151 PolarHBondContact O-N 3.27Å
148Q88.7Confident85.8Confident115 Ų115110.2 Ų110.254%0.53759%0.593SS.*Hα-helixtrans-60.5-36.1178.6-74166.9-15.100112.6V144 S145 K152V144-Q148 HydrophobicContact CG1-CB 3.29Å; V144-Q148 HydrophobicContact CG1-CG 4.4Å; S145-Q148 PolarHBondContact O-N 3.47Å; S145-Q148 WeakPolarHBondContact OG-CB 3.21Å; S145-Q148 WeakPolarHBondContact OG-CG 3.46Å; S145-Q148 PolarHBondContact OG-N 3.36Å; S145-Q148 PolarHBondContact OG-OE1 2.82Å; Q148-K152 WeakPolarHBondContact O-CB 3.34Å; Q148-K152 PolarHBondContact O-N 2.57Å; Q148-K152 VanDerWaalsContact O-N 3.1Å
149S89.4Confident84.9Confident56 Ų56108.7 Ų108.739%0.39259%0.594SS.*Hα-helixtrans-63.6-47173.8-173.10000111.2S145 F146 E147 K152 E153S145-S149 PolarHBondContact O-N 2.85Å; F146-S149 WeakPolarHBondContact O-CB 3.5Å; F146-S149 PolarHBondContact O-N 3.15Å; E147-S149 VanDerWaalsContact C-N 3.27Å; E147-S149 PolarHBondContact O-N 2.92Å; S149-K152 PolarHBondContact O-N 2.97Å; S149-E153 WeakPolarHBondContact O-CB 3.2Å; S149-E153 PolarHBondContact O-N 3.19Å
150L89.8Confident84.8Confident56 Ų56110.9 Ų110.929%0.29360%0.604SS.*Hα-helixtrans-63.6-41.8176.2-76.5-177.8000112.3F146 E147 K152 E153 L154F146-L150 HydrophobicContact CD1-CD1 3.96Å; F146-L150 HydrophobicContact CD2-CG 4.49Å; F146-L150 HydrophobicContact CE1-CD1 3.3Å; F146-L150 HydrophobicContact CE1-CG 4.14Å; F146-L150 HydrophobicContact CE2-CD1 4.06Å; F146-L150 HydrophobicContact CE2-CD2 4.4Å; F146-L150 HydrophobicContact CE2-CG 4.08Å; F146-L150 HydrophobicContact CZ-CD1 3.37Å; F146-L150 HydrophobicContact CZ-CD2 4.31Å; F146-L150 HydrophobicContact CZ-CG 3.9Å; F146-L150 PolarHBondContact O-N 2.84Å; E147-L150 CarbonylContact O-C 3.5Å; E147-L150 WeakPolarHBondContact O-CB 3.35Å; E147-L150 PolarHBondContact O-N 2.92Å; E147-L150 VanDerWaalsContact O-N 3.11Å; L150-K152 VanDerWaalsContact C-N 3.25Å; L150-K152 PolarHBondContact O-N 3.16Å; L150-E153 PolarHBondContact O-N 3.36Å; L150-L154 HydrophobicContact CB-CD1 4.45Å; L150-L154 VanDerWaalsContact O-CB 3.26Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.28Å
151F89.7Confident85.3Confident67 Ų67115.2 Ų115.229%0.29461%0.609SS.*Hα-helixtrans-55.3-45.3175.3-92-76.5000110.9E147 K155 L156 D158E147-F151 HydrophobicContact CB-CD2 4.42Å; E147-F151 WeakPolarHBondContact O-CD2 3.25Å; E147-F151 PolarHBondContact O-N 3.27Å; F151-K155 WeakPolarHBondContact O-CA 3.44Å; F151-K155 PolarHBondContact O-N 3.44Å; F151-K155 VanDerWaalsContact O-N 3.1Å; F151-L156 HydrophobicContact CD1-CB 3.45Å; F151-L156 VanDerWaalsContact CD1-CB 3.45Å; F151-L156 HydrophobicContact CD1-CD1 4.23Å; F151-L156 HydrophobicContact CD1-CG 4.48Å; F151-L156 HydrophobicContact CE1-CB 3.8Å; F151-L156 HydrophobicContact CE1-CD1 4.21Å; F151-L156 HydrophobicContact CG-CB 4.44Å; F151-L156 PolarHBondContact O-N 3.47Å; F151-D158 HydrophobicContact CE1-CB 4.5Å; F151-D158 WeakPolarHBondContact CE1-OD1 3.38Å; F151-D158 WeakPolarHBondContact CE1-OD2 3.31Å; F151-D158 WeakPolarHBondContact CZ-OD1 3.36Å; F151-D158 WeakPolarHBondContact CZ-OD2 3.24Å
152K87.7Confident85.7Confident184 Ų184119 Ų11980%0.862%0.619SS**Hα-helixtrans-67.2-42.1177.4-172.8178.9178-177.50112.5Q148 S149 L150Q148-K152 WeakPolarHBondContact O-CB 3.34Å; Q148-K152 PolarHBondContact O-N 2.57Å; Q148-K152 VanDerWaalsContact O-N 3.1Å; S149-K152 PolarHBondContact O-N 2.97Å; L150-K152 VanDerWaalsContact C-N 3.25Å; L150-K152 PolarHBondContact O-N 3.16Å
153E90.8Very high86.3Confident143 Ų143121 Ų12167%0.66863%0.628SS**Hα-helixtrans-71.9-46.9-177.3-172.4174.8-174.300112.4S149 L150 K155S149-E153 WeakPolarHBondContact O-CB 3.2Å; S149-E153 PolarHBondContact O-N 3.19Å; L150-E153 PolarHBondContact O-N 3.36Å; E153-K155 PolarHBondContact O-N 2.7Å
154L93.7Very high86.6Confident110 Ų110121.5 Ų121.558%0.57662%0.622SS**THydrogen-bonded Turntrans-77.7-3.3177.8-63173.4000112.8L150 L156L150-L154 HydrophobicContact CB-CD1 4.45Å; L150-L154 VanDerWaalsContact O-CB 3.26Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.28Å; L154-L156 HydrophobicContact CB-CD1 4.05Å; L154-L156 HydrophobicContact CB-CG 3.8Å; L154-L156 HydrophobicContact CD1-CD1 4.1Å; L154-L156 PolarHBondContact O-N 2.82Å
155K90.3Very high87Confident177 Ų177122.5 Ų122.577%0.7763%0.628SS**THydrogen-bonded Turntrans53.240.5-178.1-56.1176.5-176.5174.30112.2F151 E153F151-K155 WeakPolarHBondContact O-CA 3.44Å; F151-K155 PolarHBondContact O-N 3.44Å; F151-K155 VanDerWaalsContact O-N 3.1Å; E153-K155 PolarHBondContact O-N 2.7Å
156L87.2Confident87.1Confident94 Ų94130.2 Ų130.249%0.49265%0.651SS.*  trans-78.2136177.1-65.5174.5000109.2F151 L154F151-L156 HydrophobicContact CD1-CB 3.45Å; F151-L156 VanDerWaalsContact CD1-CB 3.45Å; F151-L156 HydrophobicContact CD1-CD1 4.23Å; F151-L156 HydrophobicContact CD1-CG 4.48Å; F151-L156 HydrophobicContact CE1-CB 3.8Å; F151-L156 HydrophobicContact CE1-CD1 4.21Å; F151-L156 HydrophobicContact CG-CB 4.44Å; F151-L156 PolarHBondContact O-N 3.47Å; L154-L156 HydrophobicContact CB-CD1 4.05Å; L154-L156 HydrophobicContact CB-CG 3.8Å; L154-L156 HydrophobicContact CD1-CD1 4.1Å; L154-L156 PolarHBondContact O-N 2.82Å
157N79.4Confident87.1Confident149 Ų149134.6 Ų134.680%0.79766%0.664SS**  trans-93.2106.7179.4-66.6-33.3000109.7C159N157-C159 PolarHBondContact O-N 3.24Å; N157-C159 VanDerWaalsContact O-N 3.16Å
158D71.7Confident87.1Confident116 Ų116143 Ų14362%0.6269%0.693SS**  trans-78.891.6165.9-87.8-21.9000109.6F151F151-D158 HydrophobicContact CE1-CB 4.5Å; F151-D158 WeakPolarHBondContact CE1-OD1 3.38Å; F151-D158 WeakPolarHBondContact CE1-OD2 3.31Å; F151-D158 WeakPolarHBondContact CZ-OD1 3.36Å; F151-D158 WeakPolarHBondContact CZ-OD2 3.24Å
159C67.1Low87Confident112 Ų112144.5 Ų144.576%0.75770%0.701SS**  trans-88.6-17.8176.557.20000113.3N157N157-C159 PolarHBondContact O-N 3.24Å; N157-C159 VanDerWaalsContact O-N 3.16Å
160L80.4Confident86.9Confident154 Ų154149.1 Ų149.181%0.80672%0.717SS**PPolyproline II helixtrans-99.1122.8-177.9-60.5179.1000110.8
161K83.8Confident86.8Confident202 Ų202154.3 Ų154.388%0.87874%0.74SS**PPolyproline II helixtrans-82.8134.5168.2-65.3-177.6-180-179.90108.8T163K161-T163 PolarHBondContact O-N 2.6Å
162Q87.9Confident86.6Confident198 Ų198159.4 Ų159.493%0.92577%0.767SS**PPolyproline II helixtrans-59.1129.8174.5-70.8-174.9-6.400110.3
163T91.2Very high86.5Confident114 Ų114157.9 Ų157.970%0.69977%0.765SS**PPolyproline II helixtrans-71.5146.3171.549.60000110K161 T165K161-T163 PolarHBondContact O-N 2.6Å; T163-T165 PolarHBondContact O-N 2.91Å
164P93.3Very high86.2Confident121 Ų121158.9 Ų158.979%0.78677%0.771SS**PPolyproline II helixtrans-62.3134179.526.6-34.3000111.1
165T94.3Very high85.7Confident96 Ų96162.4 Ų162.459%0.58979%0.785SS**  trans-124.5147176.156.10000110.1T163T163-T165 PolarHBondContact O-N 2.91Å
166Y92.4Very high85.3Confident210 Ų210161.2 Ų161.282%0.82479%0.786SS**  trans-97.2140.9175.8-58-85000110.5
167W90.2Very high85.2Confident238 Ų238166.8 Ų166.890%0.90281%0.811SS**  trans-119.9121.4172.7-6185.3000106.9
168Y90.5Very high85.7Confident292 Ų292168.5 Ų168.5100%1.14581%0.812SS**  trans-1240-177.554.7-97.4000111

Retrieved 168 of 168 residues in 229.7 ms (Link to these results)

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