G4LZZ8_SCHMA Loading...

Ubiquitin conjugating enzyme E2, putative

AlphaFold DB , UniProt , Accession G4LZZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 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
1M83.5Confident93.3Very high174 Ų17479.8 Ų79.886%0.85737%0.371SS*.  0-48.50-164.5169.5-178.100111L3 R4 R5 F62M1-L3 PolarHBondContact O-N 3.17Å; M1-R4 PolarHBondContact O-N 3.16Å; M1-R4 VanDerWaalsContact O-N 3.16Å; M1-R5 PolarHBondContact O-N 3.33Å; M1-F62 HydrophobicContact SD-CE2 4.25Å
2A91.4Very high93.3Very high7 Ų778.9 Ų78.96%0.05837%0.371CS..Hα-helixtrans-45.5-54.117500000113.8R4 R5 I6 F31 T58 Y60A2-R4 PolarHBondContact O-N 2.71Å; A2-R5 CarbonylContact O-C 3.53Å; A2-R5 WeakPolarHBondContact O-CA 3.33Å; A2-R5 WeakPolarHBondContact O-CB 3.27Å; A2-R5 PolarHBondContact O-N 2.72Å; A2-I6 HydrophobicContact CB-CD1 4.49Å; A2-I6 WeakPolarHBondContact O-CG1 3.45Å; A2-I6 PolarHBondContact O-N 3.34Å; A2-F31 HydrophobicContact CB-CE1 3.88Å; A2-F31 HydrophobicContact CB-CZ 4.12Å; A2-T58 WeakPolarHBondContact CB-O 3.41Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.27Å; A2-Y60 WeakPolarHBondContact CB-O 3.43Å
3L93Very high93.2Very high84 Ų8473.8 Ų73.844%0.4435%0.347SS..Hα-helixtrans-55.5-45.9-179.7-168.965.3000113.4M1 R5 I6 S7 L30 F31M1-L3 PolarHBondContact O-N 3.17Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.1Å; L3-I6 PolarHBondContact O-N 2.69Å; L3-S7 WeakPolarHBondContact O-CB 3.2Å; L3-S7 PolarHBondContact O-N 3.49Å; L3-S7 PolarHBondContact O-OG 2.87Å; L3-L30 HydrophobicContact CD1-CB 3.89Å; L3-L30 HydrophobicContact CD1-CD1 3.54Å; L3-L30 HydrophobicContact CD1-CG 4.36Å; L3-F31 HydrophobicContact CD1-CE2 4.18Å
4R94.4Very high92.9Very high217 Ų21775.1 Ų75.182%0.81937%0.368SS*.Hα-helixtrans-59.8-40.1176.9-72.1-174.9176.9174.3-1.6111.6M1 A2 K8M1-R4 PolarHBondContact O-N 3.16Å; M1-R4 VanDerWaalsContact O-N 3.16Å; A2-R4 PolarHBondContact O-N 2.71Å; R4-K8 WeakPolarHBondContact O-CB 3.46Å; R4-K8 PolarHBondContact O-N 2.74Å; R4-K8 VanDerWaalsContact O-N 3.1Å
5R95.3Very high92.7Very high57 Ų5777.6 Ų77.622%0.21539%0.389CS..Hα-helixtrans-68-46.4177.9175.261.9-173.7-90.4-16.8111.4M1 A2 L3 K8 E9 Y60 P61 P95 L97M1-R5 PolarHBondContact O-N 3.33Å; A2-R5 CarbonylContact O-C 3.53Å; A2-R5 WeakPolarHBondContact O-CA 3.33Å; A2-R5 WeakPolarHBondContact O-CB 3.27Å; A2-R5 PolarHBondContact O-N 2.72Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.1Å; R5-K8 PolarHBondContact O-N 3.29Å; R5-E9 IonicContact CZ-OE1 3.17Å; R5-E9 IonicContact NE-OE1 2.72Å; R5-E9 PolarHBondContact NE-OE1 2.88Å; R5-E9 IonicContact NH2-OE1 2.79Å; R5-E9 PolarHBondContact NH2-OE1 2.94Å; R5-E9 PolarHBondContact O-N 3.29Å; R5-Y60 HydrophobicContact CG-CD1 3.94Å; R5-Y60 HydrophobicContact CG-CE1 3.63Å; R5-P61 HydrophobicContact CG-CB 4.34Å; R5-P61 HydrophobicContact CG-CG 4.14Å; R5-P95 PolarHBondContact NH1-O 3.33Å; R5-P95 PolarHBondContact NH2-O 3.33Å; R5-L97 PolarHBondContact NH2-O 3.4Å
6I95.7Very high92.4Very high0 Ų080.6 Ų80.60%041%0.407CS..Hα-helixtrans-60.9-49.1178.1-68.3168.7000110.5A2 L3 K8 E9 L10 L30 F31 W33 F56 Y60A2-I6 HydrophobicContact CB-CD1 4.49Å; A2-I6 WeakPolarHBondContact O-CG1 3.45Å; A2-I6 PolarHBondContact O-N 3.34Å; L3-I6 PolarHBondContact O-N 2.69Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.84Å; I6-E9 PolarHBondContact O-N 2.86Å; I6-L10 PolarHBondContact O-N 3.49Å; I6-L30 HydrophobicContact CG2-CB 4.45Å; I6-L30 VanDerWaalsContact CG2-O 3.29Å; I6-L30 WeakPolarHBondContact CG2-O 3.15Å; I6-F31 HydrophobicContact CD1-CD1 3.77Å; I6-F31 HydrophobicContact CD1-CE1 3.74Å; I6-F31 HydrophobicContact CD1-CG 4.26Å; I6-F31 HydrophobicContact CD1-CZ 4.22Å; I6-W33 HydrophobicContact CG2-CZ2 3.51Å; I6-F56 HydrophobicContact CD1-CB 3.73Å; I6-F56 HydrophobicContact CD1-CD1 4.04Å; I6-F56 HydrophobicContact CD1-CD2 4.25Å; I6-F56 HydrophobicContact CD1-CG 3.75Å; I6-F56 HydrophobicContact CG1-CD1 3.9Å; I6-F56 HydrophobicContact CG1-CE1 4.2Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; I6-Y60 HydrophobicContact CD1-CD1 4.43Å; I6-Y60 HydrophobicContact CG1-CD1 3.8Å; I6-Y60 HydrophobicContact CG1-CE1 4.19Å
7S94.3Very high91.9Very high51 Ų5180.3 Ų80.336%0.35741%0.412SS..Hα-helixtrans-61.2-38.1177.6-590000112.4L3 L10 Q11L3-S7 WeakPolarHBondContact O-CB 3.2Å; L3-S7 PolarHBondContact O-N 3.49Å; L3-S7 PolarHBondContact O-OG 2.87Å; S7-L10 PolarHBondContact O-N 3.36Å; S7-Q11 PolarHBondContact O-N 2.79Å; S7-Q11 VanDerWaalsContact O-N 3.09Å
8K95.1Very high91.5Very high111 Ų11176.6 Ų76.648%0.48339%0.394SS..Hα-helixtrans-63.1-47.8173.8173.8165.4173.239.70111.6R4 R5 I6 L10 Q11 D12R4-K8 WeakPolarHBondContact O-CB 3.46Å; R4-K8 PolarHBondContact O-N 2.74Å; R4-K8 VanDerWaalsContact O-N 3.1Å; R5-K8 PolarHBondContact O-N 3.29Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.84Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 2.99Å; K8-Q11 PolarHBondContact O-N 3.34Å; K8-D12 IonicContact NZ-OD1 3.59Å; K8-D12 PolarHBondContact NZ-OD1 3.3Å; K8-D12 IonicContact NZ-OD2 3.44Å; K8-D12 PolarHBondContact NZ-OD2 2.98Å; K8-D12 PolarHBondContact O-N 3Å
9E95.3Very high91.2Very high6 Ų678.4 Ų78.43%0.02841%0.409CS..Hα-helixtrans-64.3-33.7178.6-72.5-167.6-131.100112.6R5 I6 D12 L13 W33 Y60 T98 I99R5-E9 IonicContact CZ-OE1 3.17Å; R5-E9 IonicContact NE-OE1 2.72Å; R5-E9 PolarHBondContact NE-OE1 2.88Å; R5-E9 IonicContact NH2-OE1 2.79Å; R5-E9 PolarHBondContact NH2-OE1 2.94Å; R5-E9 PolarHBondContact O-N 3.29Å; I6-E9 PolarHBondContact O-N 2.86Å; E9-D12 PolarHBondContact O-N 3.03Å; E9-L13 WeakPolarHBondContact O-CB 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.37Å; E9-L13 PolarHBondContact O-N 3.19Å; E9-W33 HydrophobicContact CB-CH2 4.18Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.37Å; E9-Y60 PolarHBondContact OE1-OH 3.13Å; E9-Y60 PolarHBondContact OE2-OH 3Å; E9-T98 WeakPolarHBondContact OE2-CA 3.35Å; E9-T98 VanDerWaalsContact OE2-CB 3.29Å; E9-T98 WeakPolarHBondContact OE2-CB 3.5Å; E9-I99 PolarHBondContact OE2-N 3.39Å
10L94.5Very high90.9Very high45 Ų4579.2 Ų79.224%0.23641%0.41CS..Hα-helixtrans-63.2-44.7174.3-176.858.2000111.4I6 S7 K8 L13 S14 P25 L30 W33I6-L10 PolarHBondContact O-N 3.49Å; S7-L10 PolarHBondContact O-N 3.36Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-N 3.44Å; L10-P25 HydrophobicContact CD2-CG 4Å; L10-L30 HydrophobicContact CD2-CD2 4.31Å; L10-W33 HydrophobicContact CB-CH2 3.86Å; L10-W33 HydrophobicContact CB-CZ2 3.72Å; L10-W33 HydrophobicContact CD1-CH2 4.3Å; L10-W33 HydrophobicContact CD1-CZ2 4.18Å; L10-W33 HydrophobicContact CG-CZ2 4.4Å
11Q94.1Very high91Very high126 Ų12675.9 Ų75.959%0.58939%0.394SS*.Hα-helixtrans-63-45.9175.2-176.4-179.8700110.9S7 K8 L13 S14 V15S7-Q11 PolarHBondContact O-N 2.79Å; S7-Q11 VanDerWaalsContact O-N 3.09Å; K8-Q11 PolarHBondContact O-N 3.34Å; Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 PolarHBondContact O-N 3.4Å; Q11-S14 PolarHBondContact O-N 2.83Å; Q11-S14 VanDerWaalsContact O-N 3.12Å; Q11-S14 PolarHBondContact O-OG 2.9Å; Q11-V15 WeakPolarHBondContact O-CG2 3.43Å; Q11-V15 PolarHBondContact O-N 3.06Å
12D93Very high91.5Very high69 Ų6970.6 Ų70.637%0.36937%0.374SS..Hα-helixtrans-59.8-42.5179.1-64.9-20.8000110.4K8 E9 S14 V15 D16K8-D12 IonicContact NZ-OD1 3.59Å; K8-D12 PolarHBondContact NZ-OD1 3.3Å; K8-D12 IonicContact NZ-OD2 3.44Å; K8-D12 PolarHBondContact NZ-OD2 2.98Å; K8-D12 PolarHBondContact O-N 3Å; E9-D12 PolarHBondContact O-N 3.03Å; D12-S14 PolarHBondContact O-N 3.19Å; D12-V15 PolarHBondContact O-N 2.85Å; D12-D16 PolarHBondContact O-N 2.97Å
13L92.1Very high91.6Very high13 Ų1371.2 Ų71.27%0.06838%0.379CS..Hα-helixtrans-65.1-33.6174.6-78168.9000114.2E9 L10 Q11 V15 P17 P18 A23 W33 I99E9-L13 WeakPolarHBondContact O-CB 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.37Å; E9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.4Å; Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 PolarHBondContact O-N 3.4Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-P17 WeakPolarHBondContact O-CA 3.4Å; L13-P17 WeakPolarHBondContact O-CB 3.33Å; L13-P18 VanDerWaalsContact CD2-CD 3.44Å; L13-P18 HydrophobicContact CD2-CG 4.07Å; L13-A23 HydrophobicContact CD1-CB 4.16Å; L13-W33 HydrophobicContact CD1-CE3 4.31Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; L13-I99 HydrophobicContact CD1-CB 4.44Å; L13-I99 HydrophobicContact CD1-CG2 4.22Å
14S89Confident91.7Very high91 Ų9168.2 Ų68.264%0.63637%0.369SS*.Hα-helixtrans-72.7-29.2176.668.90000113L10 Q11 D12L10-S14 PolarHBondContact O-N 3.44Å; Q11-S14 PolarHBondContact O-N 2.83Å; Q11-S14 VanDerWaalsContact O-N 3.12Å; Q11-S14 PolarHBondContact O-OG 2.9Å; D12-S14 PolarHBondContact O-N 3.19Å
15V90Very high91.7Very high113 Ų11360.1 Ų60.169%0.68534%0.344SS*.Hα-helixtrans-86.5-40.8-178.9172.30000110.9Q11 D12 L13Q11-V15 WeakPolarHBondContact O-CG2 3.43Å; Q11-V15 PolarHBondContact O-N 3.06Å; D12-V15 PolarHBondContact O-N 2.85Å; L13-V15 VanDerWaalsContact C-N 3.34Å
16D87.8Confident91.5Very high125 Ų12559.4 Ų59.467%0.66835%0.347SS*.SBendtrans-136.578-177.1-171.727.8000110.1D12D12-D16 PolarHBondContact O-N 2.97Å
17P84.5Confident91Very high76 Ų7668.3 Ų68.349%0.49439%0.389SS..PPolyproline II helixtrans-67.9134.7179.726.9-33.1000110.3L13L13-P17 WeakPolarHBondContact O-CA 3.4Å; L13-P17 WeakPolarHBondContact O-CB 3.33Å
18P83.9Confident90.6Very high13 Ų1373.8 Ų73.88%0.08441%0.414CS..PPolyproline II helixtrans-57.2142.2173.324.4-34.8000110.7L13 Q20 C21 L103 L104L13-P18 VanDerWaalsContact CD2-CD 3.44Å; L13-P18 HydrophobicContact CD2-CG 4.07Å; P18-Q20 PolarHBondContact O-N 3.31Å; P18-C21 HydrophobicContact CB-CB 4.42Å; P18-C21 HydrophobicContact CG-CB 3.85Å; P18-C21 PolarHBondContact O-N 2.9Å; P18-L103 HydrophobicContact CG-CD1 4.44Å; P18-L104 HydrophobicContact CB-CD1 4.46Å; P18-L104 HydrophobicContact CB-CD2 3.92Å; P18-L104 HydrophobicContact CB-CG 4.03Å
19T85.2Confident90.5Very high111 Ų11172.3 Ų72.368%0.68141%0.412SS*.THydrogen-bonded Turntrans-50.7131.8177.8-50.50000110.3C21T19-C21 PolarHBondContact O-N 3.23Å; T19-C21 PolarHBondContact O-SG 3.37Å; T19-C21 VanDerWaalsContact O-SG 3.37Å
20Q86.9Confident90.4Very high95 Ų9574.6 Ų74.644%0.44442%0.424SS..THydrogen-bonded Turntrans60.69.4177.3-74.7174.90.400115.7P18 M38P18-Q20 PolarHBondContact O-N 3.31Å; Q20-M38 HydrophobicContact CB-CB 3.93Å; Q20-M38 HydrophobicContact CB-CG 4.31Å; Q20-M38 HydrophobicContact CG-CB 4.12Å; Q20-M38 WeakPolarHBondContact O-CG 3.47Å; Q20-M38 PolarHBondContact O-N 3.5Å
21C92.3Very high90.5Very high9 Ų975.3 Ų75.36%0.06143%0.425CS..EExtended strand (participates in β ladder)trans-128.7151.2173.7-29.70000112.2P18 T19 T36 I37 L103 C107P18-C21 HydrophobicContact CB-CB 4.42Å; P18-C21 HydrophobicContact CG-CB 3.85Å; P18-C21 PolarHBondContact O-N 2.9Å; T19-C21 PolarHBondContact O-N 3.23Å; T19-C21 PolarHBondContact O-SG 3.37Å; T19-C21 VanDerWaalsContact O-SG 3.37Å; C21-T36 CarbonylContact C-O 3.46Å; C21-T36 WeakPolarHBondContact CA-O 3.29Å; C21-I37 HydrophobicContact CB-CG1 4.29Å; C21-L103 HydrophobicContact CB-CB 4.07Å; C21-L103 HydrophobicContact CB-CD1 4.06Å; C21-C107 PolarHBondContact SG-SG 3.13Å
22S93.3Very high90.7Very high64 Ų6470.5 Ų70.545%0.44841%0.405SS..EExtended strand (participates in β ladder)trans-137154.7169.162.30000109.5A35 T36S22-A35 CarbonylContact O-C 3.51Å; S22-A35 WeakPolarHBondContact O-CA 3.38Å; S22-A35 WeakPolarHBondContact O-CB 3.39Å; S22-T36 PolarHBondContact N-O 3.28Å; S22-T36 PolarHBondContact O-N 3.09Å
23A95Very high90.9Very high20 Ų2067.2 Ų67.217%0.16539%0.387CS..EExtended strand (participates in β ladder)trans-153.6149.2172.500000111.2L13 W33 Q34 A35 I99 L103L13-A23 HydrophobicContact CD1-CB 4.16Å; A23-W33 HydrophobicContact CB-CE3 4.12Å; A23-Q34 CarbonylContact C-O 3.57Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.46Å; A23-A35 HydrophobicContact CB-CB 3.7Å; A23-I99 HydrophobicContact CB-CG2 4.43Å; A23-L103 HydrophobicContact CB-CD1 3.98Å
24G94Very high91.1Very high21 Ų2171.2 Ų71.222%0.21641%0.405CS..EExtended strand (participates in β ladder)trans-164.9164.8176.400000112.2W33 Q34G24-W33 CarbonylContact O-C 3.31Å; G24-W33 WeakPolarHBondContact O-CA 3.28Å; G24-W33 WeakPolarHBondContact O-CB 3.3Å; G24-Q34 PolarHBondContact N-O 2.74Å; G24-Q34 PolarHBondContact O-N 3.41Å
25P95.1Very high91.5Very high47 Ų4767 Ų6731%0.30538%0.375SS..EExtended strand (participates in β ladder)trans-64.6145.9179.828.5-35.5000112.4L10 L30 V32L10-P25 HydrophobicContact CD2-CG 4Å; P25-L30 HydrophobicContact CB-CD2 3.95Å; P25-L30 HydrophobicContact CG-CD2 4Å; P25-V32 CarbonylContact C-O 3.32Å; P25-V32 WeakPolarHBondContact CA-O 3.18Å
26C91Very high91.8Very high41 Ų4163.1 Ų63.128%0.27735%0.352SS..EExtended strand (participates in β ladder)trans-83118.2167.7-64.10000108.6D28 D29 V32C26-D28 PolarHBondContact O-N 2.62Å; C26-D29 PolarHBondContact O-N 3.43Å; C26-V32 HydrophobicContact CB-CB 4.45Å; C26-V32 HydrophobicContact CB-CG1 4.11Å; C26-V32 PolarHBondContact N-O 2.85Å
27E85.4Confident92.2Very high188 Ų18857.2 Ų57.288%0.87932%0.321SS*.THydrogen-bonded Turntrans52.2-129.7176.1-55.5177.717800111.6
28D85.2Confident92.8Very high166 Ų16657.2 Ų57.289%0.88832%0.315SS*.THydrogen-bonded Turntrans-93-3.9-175.6-63-39.1000113.7C26C26-D28 PolarHBondContact O-N 2.62Å
29D92.6Very high93.4Very high80 Ų8057 Ų5743%0.42832%0.315SS..EExtended strand (participates in β ladder)trans-95.6100.6-179.2-167.7-8000112.2C26 F31 V32C26-D29 PolarHBondContact O-N 3.43Å; D29-F31 PolarHBondContact O-N 3.26Å; D29-F31 VanDerWaalsContact O-N 3.12Å; D29-F31 WeakPolarHBondContact OD1-CB 3.33Å; D29-F31 PolarHBondContact OD1-N 3.11Å; D29-V32 HydrophobicContact CB-CB 4.45Å; D29-V32 HydrophobicContact CB-CG2 4.28Å; D29-V32 PolarHBondContact O-N 3.33Å; D29-V32 VanDerWaalsContact O-O 3.05Å; D29-V32 WeakPolarHBondContact OD2-CG2 3.25Å
30L93.5Very high93.9Very high54 Ų5452.1 Ų52.128%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-63.2-15.8176.5-69.5173.5000114L3 I6 L10 P25 V32 W33L3-L30 HydrophobicContact CD1-CB 3.89Å; L3-L30 HydrophobicContact CD1-CD1 3.54Å; L3-L30 HydrophobicContact CD1-CG 4.36Å; I6-L30 HydrophobicContact CG2-CB 4.45Å; I6-L30 VanDerWaalsContact CG2-O 3.29Å; I6-L30 WeakPolarHBondContact CG2-O 3.15Å; L10-L30 HydrophobicContact CD2-CD2 4.31Å; P25-L30 HydrophobicContact CB-CD2 3.95Å; P25-L30 HydrophobicContact CG-CD2 4Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-W33 PolarHBondContact O-NE1 2.91Å
31F96.4Very high94.2Very high59 Ų5950.3 Ų50.326%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-87.8-1.2175.9-70.5-98.8000113.5A2 L3 I6 D29 F56A2-F31 HydrophobicContact CB-CE1 3.88Å; A2-F31 HydrophobicContact CB-CZ 4.12Å; L3-F31 HydrophobicContact CD1-CE2 4.18Å; I6-F31 HydrophobicContact CD1-CD1 3.77Å; I6-F31 HydrophobicContact CD1-CE1 3.74Å; I6-F31 HydrophobicContact CD1-CG 4.26Å; I6-F31 HydrophobicContact CD1-CZ 4.22Å; D29-F31 PolarHBondContact O-N 3.26Å; D29-F31 VanDerWaalsContact O-N 3.12Å; D29-F31 WeakPolarHBondContact OD1-CB 3.33Å; D29-F31 PolarHBondContact OD1-N 3.11Å; F31-F56 HydrophobicContact CB-CB 4.37Å; F31-F56 HydrophobicContact CD1-CB 3.83Å; F31-F56 WeakPolarHBondContact O-CD2 3.45Å; F31-F56 PolarHBondContact O-N 3.29Å
32V97.7Very high94.3Very high26 Ų2657.7 Ų57.716%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-124.4113.7176-175.20000108.6P25 C26 D29 L30 I54 L55P25-V32 CarbonylContact C-O 3.32Å; P25-V32 WeakPolarHBondContact CA-O 3.18Å; C26-V32 HydrophobicContact CB-CB 4.45Å; C26-V32 HydrophobicContact CB-CG1 4.11Å; C26-V32 PolarHBondContact N-O 2.85Å; D29-V32 HydrophobicContact CB-CB 4.45Å; D29-V32 HydrophobicContact CB-CG2 4.28Å; D29-V32 PolarHBondContact O-N 3.33Å; D29-V32 VanDerWaalsContact O-O 3.05Å; D29-V32 WeakPolarHBondContact OD2-CG2 3.25Å; L30-V32 VanDerWaalsContact C-N 3.34Å; V32-I54 WeakPolarHBondContact CA-O 3.32Å; V32-L55 HydrophobicContact CB-CD2 4.17Å; V32-L55 HydrophobicContact CG1-CD2 3.87Å; V32-L55 HydrophobicContact CG2-CD2 3.64Å
33W97.6Very high94.5Very high0 Ų055 Ų550%031%0.306CS..EExtended strand (participates in β ladder)trans-113.7151.5176-69.515.8000111.5I6 E9 L10 L13 A23 G24 L30 I54 F56 I99I6-W33 HydrophobicContact CG2-CZ2 3.51Å; E9-W33 HydrophobicContact CB-CH2 4.18Å; L10-W33 HydrophobicContact CB-CH2 3.86Å; L10-W33 HydrophobicContact CB-CZ2 3.72Å; L10-W33 HydrophobicContact CD1-CH2 4.3Å; L10-W33 HydrophobicContact CD1-CZ2 4.18Å; L10-W33 HydrophobicContact CG-CZ2 4.4Å; L13-W33 HydrophobicContact CD1-CE3 4.31Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; A23-W33 HydrophobicContact CB-CE3 4.12Å; G24-W33 CarbonylContact O-C 3.31Å; G24-W33 WeakPolarHBondContact O-CA 3.28Å; G24-W33 WeakPolarHBondContact O-CB 3.3Å; L30-W33 PolarHBondContact O-NE1 2.91Å; W33-I54 HydrophobicContact CB-CB 4.1Å; W33-I54 PolarHBondContact N-O 3.12Å; W33-I54 PolarHBondContact O-N 3.44Å; W33-F56 HydrophobicContact CB-CE2 4.09Å; W33-F56 AromaticContact CD1-CE2 3.58Å; W33-F56 AromaticContact CD2-CE2 3.51Å; W33-F56 HydrophobicContact CD2-CE2 3.51Å; W33-F56 AromaticContact CD2-CZ 3.67Å; W33-F56 HydrophobicContact CD2-CZ 3.67Å; W33-F56 AromaticContact CE2-CE2 3.66Å; W33-F56 AromaticContact CE2-CZ 3.82Å; W33-F56 HydrophobicContact CE3-CE2 4.06Å; W33-F56 AromaticContact CE3-CZ 3.76Å; W33-F56 HydrophobicContact CE3-CZ 3.76Å; W33-F56 AromaticContact CG-CE2 3.51Å; W33-F56 HydrophobicContact CG-CE2 3.51Å; W33-F56 HydrophobicContact CG-CZ 4.15Å; W33-F56 HydrophobicContact CH2-CZ 4.18Å; W33-F56 HydrophobicContact CZ2-CE2 4.34Å; W33-F56 HydrophobicContact CZ2-CZ 4.1Å; W33-F56 AromaticContact CZ3-CZ 3.99Å; W33-F56 HydrophobicContact CZ3-CZ 3.99Å; W33-F56 AromaticContact NE1-CE2 3.66Å; W33-I99 HydrophobicContact CE3-CG1 4.49Å; W33-I99 HydrophobicContact CE3-CG2 4.27Å; W33-I99 HydrophobicContact CZ3-CB 4.19Å; W33-I99 HydrophobicContact CZ3-CG1 4.04Å; W33-I99 HydrophobicContact CZ3-CG2 4.07Å
34Q97.3Very high94.6Very high97 Ų9754.4 Ų54.445%0.45330%0.301SS..EExtended strand (participates in β ladder)trans-103.7137.8162.7-176.1165.18.700108.6A23 G24 S51 L52A23-Q34 CarbonylContact C-O 3.57Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.46Å; G24-Q34 PolarHBondContact N-O 2.74Å; G24-Q34 PolarHBondContact O-N 3.41Å; Q34-S51 PolarHBondContact NE2-OG 2.93Å; Q34-L52 WeakPolarHBondContact CA-O 3.45Å
35A97.1Very high94.8Very high1 Ų153.4 Ų53.41%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-124153172.300000110.4S22 A23 S51 L52 I54 L103S22-A35 CarbonylContact O-C 3.51Å; S22-A35 WeakPolarHBondContact O-CA 3.38Å; S22-A35 WeakPolarHBondContact O-CB 3.39Å; A23-A35 HydrophobicContact CB-CB 3.7Å; A35-S51 CarbonylContact O-C 3.58Å; A35-S51 WeakPolarHBondContact O-CA 3.47Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 2.93Å; A35-L52 PolarHBondContact O-N 3.06Å; A35-I54 HydrophobicContact CB-CD1 3.8Å; A35-I54 HydrophobicContact CB-CG1 4.43Å; A35-L103 HydrophobicContact CB-CD1 4.34Å; A35-L103 HydrophobicContact CB-CD2 3.72Å
36T96.1Very high94.8Very high33 Ų3356.2 Ų56.220%0.20230%0.299CS..EExtended strand (participates in β ladder)trans-122.7133.3173.9-61.60000108.4C21 S22 V49 F50C21-T36 CarbonylContact C-O 3.46Å; C21-T36 WeakPolarHBondContact CA-O 3.29Å; S22-T36 PolarHBondContact N-O 3.28Å; S22-T36 PolarHBondContact O-N 3.09Å; T36-V49 HydrophobicContact CG2-CG1 3.35Å; T36-F50 CarbonylContact C-O 3.57Å; T36-F50 VanDerWaalsContact CA-O 3.32Å; T36-F50 WeakPolarHBondContact CA-O 3.33Å
37I96.5Very high95.1Very high0 Ų056.3 Ų56.30%031%0.307CS..EExtended strand (participates in β ladder)trans-118124.9171-70175.7000107.7C21 F50 L52 L103 I106 C107 L110C21-I37 HydrophobicContact CB-CG1 4.29Å; I37-F50 PolarHBondContact N-O 3.42Å; I37-F50 PolarHBondContact O-N 2.84Å; I37-L52 HydrophobicContact CB-CD1 4.13Å; I37-L52 HydrophobicContact CD1-CD1 3.78Å; I37-L52 HydrophobicContact CD1-CD2 4.09Å; I37-L52 HydrophobicContact CG1-CD1 3.87Å; I37-L103 HydrophobicContact CD1-CD2 4.13Å; I37-L103 HydrophobicContact CG1-CD2 4.3Å; I37-I106 HydrophobicContact CD1-CB 3.86Å; I37-I106 HydrophobicContact CD1-CG2 3.49Å; I37-I106 VanDerWaalsContact CD1-CG2 3.49Å; I37-C107 WeakPolarHBondContact CG2-SG 3.48Å; I37-L110 HydrophobicContact CG2-CD1 4.04Å
38M96.5Very high95.6Very high77 Ų7747.3 Ų47.338%0.37927%0.265SS..EExtended strand (participates in β ladder)trans-75.5136168.8-54.4-60.6-64.300108.8Q20 P40 V49Q20-M38 HydrophobicContact CB-CB 3.93Å; Q20-M38 HydrophobicContact CB-CG 4.31Å; Q20-M38 HydrophobicContact CG-CB 4.12Å; Q20-M38 WeakPolarHBondContact O-CG 3.47Å; Q20-M38 PolarHBondContact O-N 3.5Å; M38-P40 WeakPolarHBondContact O-CD 3.43Å; M38-V49 HydrophobicContact CE-CG2 3.85Å; M38-V49 HydrophobicContact SD-CG1 4.38Å; M38-V49 HydrophobicContact SD-CG2 3.98Å
39G96.5Very high96.2Very high7 Ų742 Ų427%0.07224%0.239CC..PPolyproline II helixtrans-56.1121.8173.500000111.4Y45 G48G39-Y45 VanDerWaalsContact CA-O 3.25Å; G39-Y45 WeakPolarHBondContact CA-O 3.22Å; G39-G48 PolarHBondContact N-O 3Å
40P95.9Very high96.5Very high10 Ų1038.2 Ų38.27%0.06522%0.219CC..PPolyproline II helixtrans-58.2145.4-178-26.134.9000112.2M38 S43 E46 L110 T111M38-P40 WeakPolarHBondContact O-CD 3.43Å; P40-S43 WeakPolarHBondContact O-CB 3.29Å; P40-S43 PolarHBondContact O-OG 2.9Å; P40-E46 WeakPolarHBondContact O-CA 3.41Å; P40-E46 WeakPolarHBondContact O-CB 3.39Å; P40-L110 HydrophobicContact CG-CB 4.25Å; P40-T111 HydrophobicContact CB-CG2 3.47Å; P40-T111 VanDerWaalsContact CB-CG2 3.47Å; P40-T111 HydrophobicContact CG-CG2 3.76Å
41A94.2Very high96.6Very high56 Ų5637 Ų3746%0.46322%0.215SC..THydrogen-bonded Turntrans-62153.7172.400000111.1S43A41-S43 PolarHBondContact O-N 2.88Å; A41-S43 VanDerWaalsContact O-N 3.15Å
42D93.9Very high96.7Very high164 Ų16434.2 Ų34.288%0.87720%0.203SC*.THydrogen-bonded Turntrans59.123.4-178.4-59-53.4000113.5E46D42-E46 PolarHBondContact N-OE2 3.31Å
43S96.2Very high96.7Very high8 Ų836.9 Ų36.96%0.05621%0.212CC..SBendtrans-121.2159.9177.787.10000110.7P40 A41 Y45 E46P40-S43 WeakPolarHBondContact O-CB 3.29Å; P40-S43 PolarHBondContact O-OG 2.9Å; A41-S43 PolarHBondContact O-N 2.88Å; A41-S43 VanDerWaalsContact O-N 3.15Å; S43-Y45 PolarHBondContact O-N 3.06Å; S43-Y45 WeakPolarHBondContact OG-CB 3.42Å; S43-Y45 PolarHBondContact OG-N 3.47Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; S43-E46 WeakPolarHBondContact O-CB 3.39Å; S43-E46 PolarHBondContact O-N 3.42Å; S43-E46 VanDerWaalsContact O-N 3.16Å; S43-E46 PolarHBondContact OG-N 2.68Å
44P97.7Very high96.8Very high7 Ų736.9 Ų36.95%0.04521%0.212CC..THydrogen-bonded Turntrans-67.9-3.617331.3-36.8000113.4Y134 D135 A138 R139 T142P44-Y134 HydrophobicContact CG-CE1 4.38Å; P44-D135 HydrophobicContact CB-CB 4.31Å; P44-A138 HydrophobicContact CB-CB 3.59Å; P44-A138 HydrophobicContact CG-CB 3.8Å; P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.36Å; P44-R139 WeakPolarHBondContact O-CG 3.19Å; P44-T142 PolarHBondContact O-OG1 3.26Å
45Y97.9Very high96.8Very high0 Ų035.1 Ų35.10%021%0.205CC..THydrogen-bonded Turntrans-96.9-9.1177.1-51.9-62.8000113G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142G39-Y45 VanDerWaalsContact CA-O 3.25Å; G39-Y45 WeakPolarHBondContact CA-O 3.22Å; S43-Y45 PolarHBondContact O-N 3.06Å; S43-Y45 WeakPolarHBondContact OG-CB 3.42Å; S43-Y45 PolarHBondContact OG-N 3.47Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; Y45-G47 PolarHBondContact O-N 3.12Å; Y45-G48 PolarHBondContact O-N 3.39Å; Y45-F50 HydrophobicContact CD1-CE1 4.49Å; Y45-F50 AromaticContact CD1-CZ 3.83Å; Y45-F50 HydrophobicContact CD1-CZ 3.83Å; Y45-F50 HydrophobicContact CG-CZ 4.24Å; Y45-I73 HydrophobicContact CD1-CD1 3.82Å; Y45-I73 HydrophobicContact CD1-CG1 3.97Å; Y45-I73 HydrophobicContact CE1-CD1 3.63Å; Y45-I73 HydrophobicContact CE1-CG1 3.52Å; Y45-I73 HydrophobicContact CG-CD1 4.49Å; Y45-Y74 PolarHBondContact OH-O 2.89Å; Y45-H75 AromaticContact CE2-CD2 3.98Å; Y45-H75 AromaticContact CZ-CD2 3.82Å; Y45-H75 PolarHBondContact OH-CD2 3.19Å; Y45-L110 HydrophobicContact CD2-CB 3.89Å; Y45-L110 HydrophobicContact CD2-CD2 4.47Å; Y45-L110 HydrophobicContact CE2-CB 4.17Å; Y45-L110 HydrophobicContact CE2-CD2 4.36Å; Y45-L110 WeakPolarHBondContact CE2-O 3.49Å; Y45-Y134 PolarHBondContact OH-OH 2.96Å; Y45-A138 HydrophobicContact CE1-CB 4.09Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.33Å; Y45-T142 VanDerWaalsContact O-CG2 3.29Å; Y45-T142 WeakPolarHBondContact O-CG2 3.38Å
46E96.7Very high96.8Very high106 Ų10635.8 Ų35.850%0.49521%0.208SC..THydrogen-bonded Turntrans-49.1134.7-177.7-174.4174.4162.100112.3P40 D42 S43 G48P40-E46 WeakPolarHBondContact O-CA 3.41Å; P40-E46 WeakPolarHBondContact O-CB 3.39Å; D42-E46 PolarHBondContact N-OE2 3.31Å; S43-E46 WeakPolarHBondContact O-CB 3.39Å; S43-E46 PolarHBondContact O-N 3.42Å; S43-E46 VanDerWaalsContact O-N 3.16Å; S43-E46 PolarHBondContact OG-N 2.68Å; E46-G48 PolarHBondContact O-N 3.38Å
47G95.4Very high96.8Very high43 Ų4335.7 Ų35.744%0.44321%0.208SC..THydrogen-bonded Turntrans79.7-10-177.300000115Y45Y45-G47 PolarHBondContact O-N 3.12Å
48G97.4Very high96.8Very high0 Ų041.8 Ų41.80%025%0.245CC..  trans-76.5151.5173.400000113.6G39 Y45 E46G39-G48 PolarHBondContact N-O 3Å; Y45-G48 PolarHBondContact O-N 3.39Å; E46-G48 PolarHBondContact O-N 3.38Å
49V97.2Very high96.7Very high55 Ų5540.5 Ų40.533%0.33324%0.24SC..EExtended strand (participates in β ladder)trans-117.2108.4172-174.70000108.1T36 M38 A146T36-V49 HydrophobicContact CG2-CG1 3.35Å; M38-V49 HydrophobicContact CE-CG2 3.85Å; M38-V49 HydrophobicContact SD-CG1 4.38Å; M38-V49 HydrophobicContact SD-CG2 3.98Å; V49-A146 PolarHBondContact N-O 3.11Å
50F97.9Very high96.8Very high0 Ų040.2 Ų40.20%024%0.237CC..EExtended strand (participates in β ladder)trans-100.8117.6-176.7-60.3-87.3000110.1T36 I37 Y45 L52 F69 T71 I73 T142 A146T36-F50 CarbonylContact C-O 3.57Å; T36-F50 VanDerWaalsContact CA-O 3.32Å; T36-F50 WeakPolarHBondContact CA-O 3.33Å; I37-F50 PolarHBondContact N-O 3.42Å; I37-F50 PolarHBondContact O-N 2.84Å; Y45-F50 HydrophobicContact CD1-CE1 4.49Å; Y45-F50 AromaticContact CD1-CZ 3.83Å; Y45-F50 HydrophobicContact CD1-CZ 3.83Å; Y45-F50 HydrophobicContact CG-CZ 4.24Å; F50-L52 HydrophobicContact CB-CD1 4.39Å; F50-L52 WeakPolarHBondContact O-CD1 3.47Å; F50-F69 HydrophobicContact CB-CD1 4.18Å; F50-F69 HydrophobicContact CB-CE1 3.79Å; F50-F69 HydrophobicContact CD1-CD1 4.36Å; F50-F69 HydrophobicContact CD1-CE1 4.15Å; F50-F69 HydrophobicContact CG-CE1 4.12Å; F50-T71 HydrophobicContact CD1-CG2 3.75Å; F50-T71 HydrophobicContact CE1-CG2 4.29Å; F50-I73 HydrophobicContact CD1-CB 4.35Å; F50-I73 HydrophobicContact CD1-CD1 3.98Å; F50-I73 HydrophobicContact CD1-CG1 4.39Å; F50-I73 HydrophobicContact CE1-CB 4.09Å; F50-I73 HydrophobicContact CE1-CD1 3.68Å; F50-I73 HydrophobicContact CE1-CG1 3.83Å; F50-I73 HydrophobicContact CZ-CD1 4.16Å; F50-T142 HydrophobicContact CZ-CG2 4.11Å; F50-A146 HydrophobicContact CD1-CB 3.92Å; F50-A146 HydrophobicContact CE1-CB 3.52Å; F50-A146 HydrophobicContact CE2-CB 4.2Å; F50-A146 HydrophobicContact CG-CB 4.43Å; F50-A146 HydrophobicContact CZ-CB 3.68Å
51S97.5Very high96.8Very high29 Ų2940.1 Ų40.120%0.20324%0.236CC..EExtended strand (participates in β ladder)trans-83.9135.1171.4-74.30000110.5Q34 A35 M70 T71Q34-S51 PolarHBondContact NE2-OG 2.93Å; A35-S51 CarbonylContact O-C 3.58Å; A35-S51 WeakPolarHBondContact O-CA 3.47Å; S51-M70 WeakPolarHBondContact O-CA 3.4Å; S51-M70 WeakPolarHBondContact O-CB 3.47Å; S51-M70 PolarHBondContact O-N 3.16Å; S51-T71 PolarHBondContact N-OG1 2.82Å; S51-T71 PolarHBondContact O-N 2.94Å; S51-T71 VanDerWaalsContact O-N 3.14Å
52L98.1Very high96.9Very high0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-125.6151.1175.1-64.786.6000109.6Q34 A35 I37 F50 V67 S68 F69 I84 I106Q34-L52 WeakPolarHBondContact CA-O 3.45Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 2.93Å; A35-L52 PolarHBondContact O-N 3.06Å; I37-L52 HydrophobicContact CB-CD1 4.13Å; I37-L52 HydrophobicContact CD1-CD1 3.78Å; I37-L52 HydrophobicContact CD1-CD2 4.09Å; I37-L52 HydrophobicContact CG1-CD1 3.87Å; F50-L52 HydrophobicContact CB-CD1 4.39Å; F50-L52 WeakPolarHBondContact O-CD1 3.47Å; L52-V67 HydrophobicContact CB-CG1 4.48Å; L52-V67 HydrophobicContact CD2-CG1 3.82Å; L52-S68 CarbonylContact C-O 3.59Å; L52-S68 VanDerWaalsContact CA-O 3.28Å; L52-S68 WeakPolarHBondContact CA-O 3.47Å; L52-F69 HydrophobicContact CD1-CD1 4.42Å; L52-F69 HydrophobicContact CD1-CE1 4.18Å; L52-F69 HydrophobicContact CD1-CZ 4.36Å; L52-F69 HydrophobicContact CD2-CD2 3.93Å; L52-F69 HydrophobicContact CD2-CE1 4.47Å; L52-F69 HydrophobicContact CD2-CE2 3.69Å; L52-F69 HydrophobicContact CD2-CG 4.4Å; L52-F69 HydrophobicContact CD2-CZ 3.99Å; L52-F69 HydrophobicContact CG-CD1 4.24Å; L52-F69 HydrophobicContact CG-CD2 4.22Å; L52-F69 HydrophobicContact CG-CE1 4.32Å; L52-F69 HydrophobicContact CG-CE2 4.29Å; L52-F69 HydrophobicContact CG-CG 4.19Å; L52-F69 HydrophobicContact CG-CZ 4.34Å; L52-I84 HydrophobicContact CD2-CD1 4.22Å; L52-I106 HydrophobicContact CD2-CD1 3.94Å; L52-I106 HydrophobicContact CD2-CG2 4.31Å
53K97.8Very high97Very high81 Ų8141.7 Ų41.735%0.35223%0.225SC..EExtended strand (participates in β ladder)trans-109.6135170.9-174.3172.9-172.6172.80109.3V67 S68 M70K53-V67 WeakPolarHBondContact O-CA 3.46Å; K53-S68 PolarHBondContact N-O 2.93Å; K53-S68 PolarHBondContact O-N 2.82Å; K53-M70 HydrophobicContact CB-CG 3.88Å; K53-M70 HydrophobicContact CB-SD 3.67Å; K53-M70 HydrophobicContact CD-SD 4.25Å
54I98.1Very high97.1Very high0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-121124.7179.1-55.9174.6000107.5V32 W33 A35 F56 P65 K66 V67 I99 L103V32-I54 WeakPolarHBondContact CA-O 3.32Å; W33-I54 HydrophobicContact CB-CB 4.1Å; W33-I54 PolarHBondContact N-O 3.12Å; W33-I54 PolarHBondContact O-N 3.44Å; A35-I54 HydrophobicContact CB-CD1 3.8Å; A35-I54 HydrophobicContact CB-CG1 4.43Å; I54-F56 HydrophobicContact CG2-CD2 4.36Å; I54-F56 HydrophobicContact CG2-CE1 4.39Å; I54-F56 HydrophobicContact CG2-CE2 3.82Å; I54-F56 HydrophobicContact CG2-CZ 3.86Å; I54-P65 HydrophobicContact CG2-CB 3.87Å; I54-K66 CarbonylContact C-O 3.55Å; I54-K66 WeakPolarHBondContact CA-O 3.14Å; I54-V67 HydrophobicContact CG1-CG1 4.21Å; I54-V67 HydrophobicContact CG1-CG2 4.19Å; I54-V67 HydrophobicContact CG2-CG2 4.34Å; I54-I99 HydrophobicContact CD1-CG2 3.78Å; I54-I99 HydrophobicContact CG2-CD1 3.96Å; I54-L103 HydrophobicContact CD1-CD2 4.5Å
55L97.7Very high97Very high61 Ų6143.1 Ų43.132%0.31923%0.234SC..EExtended strand (participates in β ladder)trans-116.6117.5176.9-66.6172.1000109.2V32 P65 K66V32-L55 HydrophobicContact CB-CD2 4.17Å; V32-L55 HydrophobicContact CG1-CD2 3.87Å; V32-L55 HydrophobicContact CG2-CD2 3.64Å; L55-P65 CarbonylContact O-C 3.56Å; L55-P65 WeakPolarHBondContact O-CA 3.36Å; L55-K66 HydrophobicContact CB-CB 4.25Å; L55-K66 PolarHBondContact N-O 3.34Å; L55-K66 PolarHBondContact O-N 2.85Å
56F97.8Very high97Very high14 Ų1449.9 Ų49.96%0.06126%0.264CS..  trans-85131.4177.5-62-91.2000110.2I6 F31 W33 I54 Y60 P65 I99I6-F56 HydrophobicContact CD1-CB 3.73Å; I6-F56 HydrophobicContact CD1-CD1 4.04Å; I6-F56 HydrophobicContact CD1-CD2 4.25Å; I6-F56 HydrophobicContact CD1-CG 3.75Å; I6-F56 HydrophobicContact CG1-CD1 3.9Å; I6-F56 HydrophobicContact CG1-CE1 4.2Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; F31-F56 HydrophobicContact CB-CB 4.37Å; F31-F56 HydrophobicContact CD1-CB 3.83Å; F31-F56 WeakPolarHBondContact O-CD2 3.45Å; F31-F56 PolarHBondContact O-N 3.29Å; W33-F56 HydrophobicContact CB-CE2 4.09Å; W33-F56 AromaticContact CD1-CE2 3.58Å; W33-F56 AromaticContact CD2-CE2 3.51Å; W33-F56 HydrophobicContact CD2-CE2 3.51Å; W33-F56 AromaticContact CD2-CZ 3.67Å; W33-F56 HydrophobicContact CD2-CZ 3.67Å; W33-F56 AromaticContact CE2-CE2 3.66Å; W33-F56 AromaticContact CE2-CZ 3.82Å; W33-F56 HydrophobicContact CE3-CE2 4.06Å; W33-F56 AromaticContact CE3-CZ 3.76Å; W33-F56 HydrophobicContact CE3-CZ 3.76Å; W33-F56 AromaticContact CG-CE2 3.51Å; W33-F56 HydrophobicContact CG-CE2 3.51Å; W33-F56 HydrophobicContact CG-CZ 4.15Å; W33-F56 HydrophobicContact CH2-CZ 4.18Å; W33-F56 HydrophobicContact CZ2-CE2 4.34Å; W33-F56 HydrophobicContact CZ2-CZ 4.1Å; W33-F56 AromaticContact CZ3-CZ 3.99Å; W33-F56 HydrophobicContact CZ3-CZ 3.99Å; W33-F56 AromaticContact NE1-CE2 3.66Å; I54-F56 HydrophobicContact CG2-CD2 4.36Å; I54-F56 HydrophobicContact CG2-CE1 4.39Å; I54-F56 HydrophobicContact CG2-CE2 3.82Å; I54-F56 HydrophobicContact CG2-CZ 3.86Å; F56-Y60 AromaticContact CD1-CD1 3.88Å; F56-Y60 HydrophobicContact CD1-CD1 3.88Å; F56-Y60 AromaticContact CD1-CD2 3.82Å; F56-Y60 HydrophobicContact CD1-CD2 3.82Å; F56-Y60 AromaticContact CD1-CE1 3.94Å; F56-Y60 HydrophobicContact CD1-CE1 3.94Å; F56-Y60 AromaticContact CD1-CE2 3.9Å; F56-Y60 HydrophobicContact CD1-CE2 3.9Å; F56-Y60 AromaticContact CD1-CG 3.82Å; F56-Y60 HydrophobicContact CD1-CG 3.82Å; F56-Y60 AromaticContact CD1-CZ 3.98Å; F56-Y60 HydrophobicContact CE1-CD1 4.4Å; F56-Y60 HydrophobicContact CE1-CE1 4Å; F56-Y60 HydrophobicContact CE1-CE2 4.16Å; F56-Y60 AromaticContact CE1-CZ 3.9Å; F56-P65 HydrophobicContact CD1-CB 4.25Å; F56-P65 HydrophobicContact CE1-CB 4.5Å; F56-I99 HydrophobicContact CE1-CD1 3.62Å; F56-I99 HydrophobicContact CE1-CG1 3.7Å; F56-I99 HydrophobicContact CZ-CD1 3.83Å; F56-I99 HydrophobicContact CZ-CG1 3.71Å
57P96.6Very high97.1Very high32 Ų3245.3 Ų45.321%0.20824%0.243CC..  trans-72.5159.2169.733.4-36.9000110.6D59 Y60 K63 P64P57-D59 WeakPolarHBondContact CB-OD1 3.32Å; P57-D59 PolarHBondContact O-N 2.87Å; P57-Y60 VanDerWaalsContact O-CB 3.3Å; P57-Y60 WeakPolarHBondContact O-CB 3.18Å; P57-Y60 PolarHBondContact O-N 3.43Å; P57-K63 HydrophobicContact CB-CB 4.34Å; P57-K63 HydrophobicContact CG-CB 3.74Å; P57-P64 WeakPolarHBondContact CD-O 3.25Å; P57-P64 WeakPolarHBondContact CG-O 3.47Å
58T95.3Very high97.2Very high127 Ų12744.3 Ų44.378%0.77923%0.229SC*.THydrogen-bonded Turntrans-65-22-178.852.40000113.5A2A2-T58 WeakPolarHBondContact CB-O 3.41Å
59D95.7Very high97.3Very high50 Ų5044.8 Ų44.827%0.26723%0.231SC..THydrogen-bonded Turntrans-99.516.3175.859.5-4.3000113.5P57 F62 K63P57-D59 WeakPolarHBondContact CB-OD1 3.32Å; P57-D59 PolarHBondContact O-N 2.87Å; D59-F62 WeakPolarHBondContact O-CB 3.44Å; D59-F62 WeakPolarHBondContact O-CD2 3.49Å; D59-F62 PolarHBondContact O-N 3.36Å; D59-K63 WeakPolarHBondContact OD1-CB 3.22Å; D59-K63 WeakPolarHBondContact OD1-CD 3.34Å; D59-K63 WeakPolarHBondContact OD2-CD 3.5Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 WeakPolarHBondContact OD2-CG 3.48Å; D59-K63 IonicContact OD2-NZ 2.71Å; D59-K63 PolarHBondContact OD2-NZ 2.84Å
60Y97.4Very high97.3Very high2 Ų247.7 Ų47.71%0.00824%0.242CC..THydrogen-bonded Turntrans-54.4137169.9-172.6-101.4000111A2 R5 I6 E9 F56 P57 P65 W93A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.27Å; A2-Y60 WeakPolarHBondContact CB-O 3.43Å; R5-Y60 HydrophobicContact CG-CD1 3.94Å; R5-Y60 HydrophobicContact CG-CE1 3.63Å; I6-Y60 HydrophobicContact CD1-CD1 4.43Å; I6-Y60 HydrophobicContact CG1-CD1 3.8Å; I6-Y60 HydrophobicContact CG1-CE1 4.19Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.37Å; E9-Y60 PolarHBondContact OE1-OH 3.13Å; E9-Y60 PolarHBondContact OE2-OH 3Å; F56-Y60 AromaticContact CD1-CD1 3.88Å; F56-Y60 HydrophobicContact CD1-CD1 3.88Å; F56-Y60 AromaticContact CD1-CD2 3.82Å; F56-Y60 HydrophobicContact CD1-CD2 3.82Å; F56-Y60 AromaticContact CD1-CE1 3.94Å; F56-Y60 HydrophobicContact CD1-CE1 3.94Å; F56-Y60 AromaticContact CD1-CE2 3.9Å; F56-Y60 HydrophobicContact CD1-CE2 3.9Å; F56-Y60 AromaticContact CD1-CG 3.82Å; F56-Y60 HydrophobicContact CD1-CG 3.82Å; F56-Y60 AromaticContact CD1-CZ 3.98Å; F56-Y60 HydrophobicContact CE1-CD1 4.4Å; F56-Y60 HydrophobicContact CE1-CE1 4Å; F56-Y60 HydrophobicContact CE1-CE2 4.16Å; F56-Y60 AromaticContact CE1-CZ 3.9Å; P57-Y60 VanDerWaalsContact O-CB 3.3Å; P57-Y60 WeakPolarHBondContact O-CB 3.18Å; P57-Y60 PolarHBondContact O-N 3.43Å; Y60-P65 HydrophobicContact CE2-CG 4.33Å; Y60-W93 HydrophobicContact CD2-CZ2 4.23Å; Y60-W93 AromaticContact CE2-CH2 3.7Å; Y60-W93 HydrophobicContact CE2-CH2 3.7Å; Y60-W93 AromaticContact CE2-CZ2 3.49Å; Y60-W93 HydrophobicContact CE2-CZ2 3.49Å; Y60-W93 VanDerWaalsContact CE2-CZ2 3.49Å
61P96.3Very high97.3Very high8 Ų848.6 Ų48.65%0.05225%0.248CC..THydrogen-bonded Turncis-94.214.36.639.2-37.4000114.8R5 K63 W93 P95R5-P61 HydrophobicContact CG-CB 4.34Å; R5-P61 HydrophobicContact CG-CG 4.14Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 2.96Å; P61-W93 HydrophobicContact CB-CZ2 4.44Å; P61-W93 PolarHBondContact O-NE1 2.81Å; P61-P95 HydrophobicContact CB-CB 4.28Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.46Å
62F96.3Very high97.3Very high137 Ų13752.7 Ų52.760%0.60126%0.262SS*.SBendtrans-70.8-28.4-179.7-61.2-73.6000112.7M1 D59 P95M1-F62 HydrophobicContact SD-CE2 4.25Å; D59-F62 WeakPolarHBondContact O-CB 3.44Å; D59-F62 WeakPolarHBondContact O-CD2 3.49Å; D59-F62 PolarHBondContact O-N 3.36Å; F62-P95 HydrophobicContact CD1-CG 4.25Å
63K96.5Very high97.3Very high115 Ų11553.1 Ų53.150%0.527%0.265SS..SBendtrans-110.4148.8166.1-70.9-169.9-176127.80111.4P57 D59 P61P57-K63 HydrophobicContact CB-CB 4.34Å; P57-K63 HydrophobicContact CG-CB 3.74Å; D59-K63 WeakPolarHBondContact OD1-CB 3.22Å; D59-K63 WeakPolarHBondContact OD1-CD 3.34Å; D59-K63 WeakPolarHBondContact OD2-CD 3.5Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 WeakPolarHBondContact OD2-CG 3.48Å; D59-K63 IonicContact OD2-NZ 2.71Å; D59-K63 PolarHBondContact OD2-NZ 2.84Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 2.96Å
64P97.1Very high97.3Very high42 Ų4251.1 Ų51.127%0.27326%0.255SS..  trans-64.9152.9177.324.7-32.2000111.9P57 W93P57-P64 WeakPolarHBondContact CD-O 3.25Å; P57-P64 WeakPolarHBondContact CG-O 3.47Å; P64-W93 HydrophobicContact CB-CB 3.9Å; P64-W93 HydrophobicContact CB-CD2 3.56Å; P64-W93 HydrophobicContact CB-CE3 3.91Å; P64-W93 HydrophobicContact CB-CG 3.54Å; P64-W93 HydrophobicContact CG-CB 4.14Å; P64-W93 HydrophobicContact CG-CG 4.08Å
65P97.4Very high97.3Very high3 Ų351.2 Ų51.22%0.01926%0.255CS..  trans-70.3147.5166.633.1-31.7000109.3I54 L55 F56 Y60 V67 W93 I99I54-P65 HydrophobicContact CG2-CB 3.87Å; L55-P65 CarbonylContact O-C 3.56Å; L55-P65 WeakPolarHBondContact O-CA 3.36Å; F56-P65 HydrophobicContact CD1-CB 4.25Å; F56-P65 HydrophobicContact CE1-CB 4.5Å; Y60-P65 HydrophobicContact CE2-CG 4.33Å; P65-V67 HydrophobicContact CG-CG2 4.27Å; P65-V67 PolarHBondContact O-N 2.79Å; P65-W93 VanDerWaalsContact CD-CH2 3.5Å; P65-W93 HydrophobicContact CG-CH2 4.25Å; P65-W93 HydrophobicContact CG-CZ3 4.3Å; P65-I99 HydrophobicContact CB-CD1 4.23Å; P65-I99 HydrophobicContact CG-CD1 3.75Å
66K97.7Very high97.3Very high143 Ų14348.3 Ų48.362%0.62224%0.24SC*.EExtended strand (participates in β ladder)trans-84.9115.2169.4179.9178.2-179.6-178.90108.5I54 L55I54-K66 CarbonylContact C-O 3.55Å; I54-K66 WeakPolarHBondContact CA-O 3.14Å; L55-K66 HydrophobicContact CB-CB 4.25Å; L55-K66 PolarHBondContact N-O 3.34Å; L55-K66 PolarHBondContact O-N 2.85Å
67V98.3Very high97.3Very high10 Ų1047.7 Ų47.76%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-110.3133.9178.5-172.20000109.8L52 K53 I54 P65 I84 L89 V102 I106L52-V67 HydrophobicContact CB-CG1 4.48Å; L52-V67 HydrophobicContact CD2-CG1 3.82Å; K53-V67 WeakPolarHBondContact O-CA 3.46Å; I54-V67 HydrophobicContact CG1-CG1 4.21Å; I54-V67 HydrophobicContact CG1-CG2 4.19Å; I54-V67 HydrophobicContact CG2-CG2 4.34Å; P65-V67 HydrophobicContact CG-CG2 4.27Å; P65-V67 PolarHBondContact O-N 2.79Å; V67-I84 HydrophobicContact CB-CD1 4.31Å; V67-I84 HydrophobicContact CG1-CD1 3.91Å; V67-L89 HydrophobicContact CB-CD1 4.01Å; V67-L89 HydrophobicContact CB-CD2 4.43Å; V67-L89 HydrophobicContact CG2-CD1 4.32Å; V67-L89 HydrophobicContact CG2-CD2 3.85Å; V67-V102 HydrophobicContact CG2-CG1 4.11Å; V67-I106 HydrophobicContact CG1-CD1 3.87Å
68S98Very high97.4Very high22 Ų2246.2 Ų46.215%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-143.4141.9176.955.20000112.1L52 K53 G82L52-S68 CarbonylContact C-O 3.59Å; L52-S68 VanDerWaalsContact CA-O 3.28Å; L52-S68 WeakPolarHBondContact CA-O 3.47Å; K53-S68 PolarHBondContact N-O 2.93Å; K53-S68 PolarHBondContact O-N 2.82Å; S68-G82 CarbonylContact C-O 3.15Å; S68-G82 WeakPolarHBondContact CA-O 3.35Å
69F98.2Very high97.3Very high9 Ų941.9 Ų41.94%0.03920%0.2CC..EExtended strand (participates in β ladder)trans-67.7130.6169.7-82.8-104.7000110.9F50 L52 I73 I78 G82 I84 I106 L110F50-F69 HydrophobicContact CB-CD1 4.18Å; F50-F69 HydrophobicContact CB-CE1 3.79Å; F50-F69 HydrophobicContact CD1-CD1 4.36Å; F50-F69 HydrophobicContact CD1-CE1 4.15Å; F50-F69 HydrophobicContact CG-CE1 4.12Å; L52-F69 HydrophobicContact CD1-CD1 4.42Å; L52-F69 HydrophobicContact CD1-CE1 4.18Å; L52-F69 HydrophobicContact CD1-CZ 4.36Å; L52-F69 HydrophobicContact CD2-CD2 3.93Å; L52-F69 HydrophobicContact CD2-CE1 4.47Å; L52-F69 HydrophobicContact CD2-CE2 3.69Å; L52-F69 HydrophobicContact CD2-CG 4.4Å; L52-F69 HydrophobicContact CD2-CZ 3.99Å; L52-F69 HydrophobicContact CG-CD1 4.24Å; L52-F69 HydrophobicContact CG-CD2 4.22Å; L52-F69 HydrophobicContact CG-CE1 4.32Å; L52-F69 HydrophobicContact CG-CE2 4.29Å; L52-F69 HydrophobicContact CG-CG 4.19Å; L52-F69 HydrophobicContact CG-CZ 4.34Å; F69-I73 HydrophobicContact CD1-CG2 4.04Å; F69-I73 HydrophobicContact CE1-CD1 4.07Å; F69-I73 HydrophobicContact CE1-CG2 4.41Å; F69-I73 HydrophobicContact CG-CG2 4.28Å; F69-I78 HydrophobicContact CB-CG2 4.29Å; F69-I78 HydrophobicContact CD2-CD1 3.89Å; F69-I78 HydrophobicContact CD2-CG1 4.32Å; F69-I78 HydrophobicContact CD2-CG2 3.85Å; F69-I78 HydrophobicContact CE1-CD1 4.28Å; F69-I78 HydrophobicContact CE2-CD1 3.39Å; F69-I78 HydrophobicContact CE2-CG1 4.12Å; F69-I78 HydrophobicContact CE2-CG2 4.48Å; F69-I78 HydrophobicContact CG-CG2 4.16Å; F69-I78 HydrophobicContact CZ-CD1 3.62Å; F69-G82 PolarHBondContact N-O 2.84Å; F69-G82 WeakPolarHBondContact O-CA 3.19Å; F69-I84 HydrophobicContact CD2-CD1 3.69Å; F69-I84 HydrophobicContact CD2-CG1 3.77Å; F69-I84 HydrophobicContact CE2-CD1 3.62Å; F69-I84 HydrophobicContact CE2-CG1 3.95Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.74Å; F69-L110 HydrophobicContact CZ-CD2 4.23Å
70M97.5Very high97.2Very high116 Ų11644.2 Ų44.257%0.57122%0.218SC*.SBendtrans-92.1-36.9168.4-59.3-57.8-62.100110.2S51 K53S51-M70 WeakPolarHBondContact O-CA 3.4Å; S51-M70 WeakPolarHBondContact O-CB 3.47Å; S51-M70 PolarHBondContact O-N 3.16Å; K53-M70 HydrophobicContact CB-CG 3.88Å; K53-M70 HydrophobicContact CB-SD 3.67Å; K53-M70 HydrophobicContact CD-SD 4.25Å
71T97.4Very high97.1Very high20 Ų2050.8 Ų50.812%0.12325%0.253CS..SBendtrans-74.7130.4171.4-59.60000110.2F50 S51 Y145 A146F50-T71 HydrophobicContact CD1-CG2 3.75Å; F50-T71 HydrophobicContact CE1-CG2 4.29Å; S51-T71 PolarHBondContact N-OG1 2.82Å; S51-T71 PolarHBondContact O-N 2.94Å; S51-T71 VanDerWaalsContact O-N 3.14Å; T71-Y145 VanDerWaalsContact CG2-O 3.29Å; T71-Y145 WeakPolarHBondContact CG2-O 3.35Å; T71-A146 HydrophobicContact CG2-CB 3.75Å
72K97.4Very high97.1Very high114 Ų11450.6 Ų50.650%0.49625%0.253SS..  trans-65136.7175.2-69.2-179.3179.5177.80110.3W141 Y145K72-W141 HydrophobicContact CB-CE3 4.23Å; K72-W141 HydrophobicContact CB-CZ3 4.08Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 3.9Å; K72-Y145 HydrophobicContact CB-CE2 4.39Å; K72-Y145 HydrophobicContact CB-CG 3.84Å; K72-Y145 HydrophobicContact CD-CD1 4.15Å; K72-Y145 HydrophobicContact CD-CE1 3.95Å; K72-Y145 HydrophobicContact CD-CE2 4.46Å; K72-Y145 HydrophobicContact CD-CG 4.49Å
73I98Very high97.2Very high10 Ų1046.5 Ų46.55%0.05124%0.241CC..  trans-141.6143-178.4-170171.5000110.5Y45 F50 F69 H75 I78 L110Y45-I73 HydrophobicContact CD1-CD1 3.82Å; Y45-I73 HydrophobicContact CD1-CG1 3.97Å; Y45-I73 HydrophobicContact CE1-CD1 3.63Å; Y45-I73 HydrophobicContact CE1-CG1 3.52Å; Y45-I73 HydrophobicContact CG-CD1 4.49Å; F50-I73 HydrophobicContact CD1-CB 4.35Å; F50-I73 HydrophobicContact CD1-CD1 3.98Å; F50-I73 HydrophobicContact CD1-CG1 4.39Å; F50-I73 HydrophobicContact CE1-CB 4.09Å; F50-I73 HydrophobicContact CE1-CD1 3.68Å; F50-I73 HydrophobicContact CE1-CG1 3.83Å; F50-I73 HydrophobicContact CZ-CD1 4.16Å; F69-I73 HydrophobicContact CD1-CG2 4.04Å; F69-I73 HydrophobicContact CE1-CD1 4.07Å; F69-I73 HydrophobicContact CE1-CG2 4.41Å; F69-I73 HydrophobicContact CG-CG2 4.28Å; I73-H75 HydrophobicContact CD1-CB 4.48Å; I73-H75 HydrophobicContact CG1-CB 4.29Å; I73-I78 HydrophobicContact CD1-CD1 4.14Å; I73-I78 HydrophobicContact CG2-CB 3.94Å; I73-I78 HydrophobicContact CG2-CD1 3.85Å; I73-I78 HydrophobicContact CG2-CG2 3.61Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å
74Y97.9Very high97.2Very high39 Ų3941.6 Ų41.615%0.15322%0.22CC..  trans-96101.2173.4-166.4-105.8000109.1Y45 V123 Q126 Y134 L137 A138 W141Y45-Y74 PolarHBondContact OH-O 2.89Å; Y74-V123 HydrophobicContact CD1-CG1 4.06Å; Y74-V123 HydrophobicContact CD2-CG2 4.28Å; Y74-V123 HydrophobicContact CE1-CG1 3.69Å; Y74-V123 HydrophobicContact CE1-CG2 4.39Å; Y74-V123 HydrophobicContact CE2-CG1 4.35Å; Y74-V123 HydrophobicContact CE2-CG2 3.62Å; Y74-Q126 PolarHBondContact OH-OE1 3.44Å; Y74-Y134 HydrophobicContact CD1-CD2 4.12Å; Y74-Y134 HydrophobicContact CD1-CE2 4.07Å; Y74-Y134 AromaticContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CE2 4.19Å; Y74-L137 HydrophobicContact CD1-CB 4.13Å; Y74-L137 HydrophobicContact CE1-CB 4.03Å; Y74-L137 HydrophobicContact CE1-CD1 4.36Å; Y74-A138 HydrophobicContact CD1-CB 4.3Å; Y74-W141 HydrophobicContact CD2-CD2 4.36Å; Y74-W141 HydrophobicContact CD2-CZ2 4.17Å
75H98.3Very high97.1Very high1 Ų140 Ų401%0.00521%0.21CC..BIsolated β-bridgetrans-152.6141.4-173.4-172-81.3000111.3Y45 I73 N77 I78 L109 P113Y45-H75 AromaticContact CE2-CD2 3.98Å; Y45-H75 AromaticContact CZ-CD2 3.82Å; Y45-H75 PolarHBondContact OH-CD2 3.19Å; I73-H75 HydrophobicContact CD1-CB 4.48Å; I73-H75 HydrophobicContact CG1-CB 4.29Å; H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 2.97Å; H75-N77 PolarHBondContact ND1-N 3.26Å; H75-N77 PolarHBondContact O-N 3.49Å; H75-I78 HydrophobicContact CB-CB 4.11Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.22Å; H75-I78 PolarHBondContact O-N 3.23Å; H75-L109 PolarHBondContact NE2-O 3.19Å; H75-P113 WeakPolarHBondContact NE2-CG 3.41Å
76P97.7Very high97Very high0 Ų040.6 Ų40.60%021%0.213CC..THydrogen-bonded Turntrans-59.1-39.5-178.6-26.434.8000114.4P113 P118 L119 C120 V123 A124 Y127 Y134P76-P113 HydrophobicContact CB-CB 4.46Å; P76-P113 HydrophobicContact CG-CB 3.85Å; P76-P118 HydrophobicContact CB-CB 4.43Å; P76-P118 WeakPolarHBondContact O-CA 3.2Å; P76-P118 WeakPolarHBondContact O-CB 3.49Å; P76-L119 PolarHBondContact O-N 2.62Å; P76-C120 PolarHBondContact O-N 3.23Å; P76-V123 HydrophobicContact CG-CG1 4.06Å; P76-A124 HydrophobicContact CB-CB 4.02Å; P76-Y127 HydrophobicContact CG-CD2 4.34Å; P76-Y127 HydrophobicContact CG-CG 4.22Å; P76-Y134 VanDerWaalsContact CD-OH 3.31Å; P76-Y134 WeakPolarHBondContact CD-OH 3.37Å; P76-Y134 HydrophobicContact CG-CE2 4.18Å
77N98.1Very high96.8Very high1 Ų138.2 Ų38.21%0.00521%0.207CC..THydrogen-bonded Turntrans-96.45.2-175.8-52.396000114.6H75 C85 L109 N114 D117 L119H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 2.97Å; H75-N77 PolarHBondContact ND1-N 3.26Å; H75-N77 PolarHBondContact O-N 3.49Å; N77-C85 HydrophobicContact CB-CB 4.23Å; N77-C85 PolarHBondContact O-N 3.43Å; N77-L109 HydrophobicContact CB-CD1 4.11Å; N77-L109 HydrophobicContact CB-CD2 4Å; N77-L109 HydrophobicContact CB-CG 4.34Å; N77-N114 PolarHBondContact ND2-O 2.97Å; N77-N114 PolarHBondContact OD1-N 3.4Å; N77-N114 PolarHBondContact OD1-O 3.32Å; N77-D117 PolarHBondContact ND2-O 3.3Å; N77-L119 WeakPolarHBondContact O-CD1 3.44Å
78I98.1Very high96.7Very high2 Ų238.8 Ų38.81%0.0121%0.209CC..BIsolated β-bridgetrans-125.3123.9178-53.7162.8000107.9F69 I73 H75 S83 I84 L110 C120F69-I78 HydrophobicContact CB-CG2 4.29Å; F69-I78 HydrophobicContact CD2-CD1 3.89Å; F69-I78 HydrophobicContact CD2-CG1 4.32Å; F69-I78 HydrophobicContact CD2-CG2 3.85Å; F69-I78 HydrophobicContact CE1-CD1 4.28Å; F69-I78 HydrophobicContact CE2-CD1 3.39Å; F69-I78 HydrophobicContact CE2-CG1 4.12Å; F69-I78 HydrophobicContact CE2-CG2 4.48Å; F69-I78 HydrophobicContact CG-CG2 4.16Å; F69-I78 HydrophobicContact CZ-CD1 3.62Å; I73-I78 HydrophobicContact CD1-CD1 4.14Å; I73-I78 HydrophobicContact CG2-CB 3.94Å; I73-I78 HydrophobicContact CG2-CD1 3.85Å; I73-I78 HydrophobicContact CG2-CG2 3.61Å; H75-I78 HydrophobicContact CB-CB 4.11Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.22Å; H75-I78 PolarHBondContact O-N 3.23Å; I78-S83 WeakPolarHBondContact CA-O 3.49Å; I78-I84 HydrophobicContact CG1-CG1 4.47Å; I78-I84 HydrophobicContact CG1-CG2 4.46Å; I78-L110 HydrophobicContact CD1-CD2 3.87Å; I78-C120 PolarHBondContact O-SG 3.47Å; I78-C120 VanDerWaalsContact O-SG 3.32Å
79N95.1Very high96.5Very high36 Ų3638.8 Ų38.819%0.19321%0.207CC..  trans-86166-179.578.59.8000112.2N81 G82 S83 L119N79-N81 PolarHBondContact O-N 3.22Å; N79-N81 WeakPolarHBondContact OD1-CA 3.47Å; N79-N81 WeakPolarHBondContact OD1-CB 3.46Å; N79-N81 PolarHBondContact OD1-N 3.21Å; N79-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 PolarHBondContact O-N 2.91Å; N79-G82 PolarHBondContact OD1-N 2.81Å; N79-G82 VanDerWaalsContact OD1-N 3.1Å; N79-S83 PolarHBondContact N-O 2.94Å; N79-S83 WeakPolarHBondContact OD1-CB 3.28Å; N79-S83 PolarHBondContact OD1-N 2.93Å; N79-L119 HydrophobicContact CB-CB 4.03Å; N79-L119 HydrophobicContact CB-CD1 4.23Å
80P93.4Very high96.2Very high99 Ų9944 Ų4464%0.64323%0.227SC*.THydrogen-bonded Turntrans-60.4-18.4179.8-27.536.8000115.4G82P80-G82 VanDerWaalsContact C-N 3.28Å
81N95Very high95.9Very high140 Ų14042 Ų4275%0.74924%0.236SC*.THydrogen-bonded Turntrans-87.52.2174.6-65-10.2000112.5N79N79-N81 PolarHBondContact O-N 3.22Å; N79-N81 WeakPolarHBondContact OD1-CA 3.47Å; N79-N81 WeakPolarHBondContact OD1-CB 3.46Å; N79-N81 PolarHBondContact OD1-N 3.21Å
82G96.7Very high95.9Very high4 Ų447.1 Ų47.14%0.04126%0.258CS..  trans84.31.8178.100000115.5S68 F69 N79 P80S68-G82 CarbonylContact C-O 3.15Å; S68-G82 WeakPolarHBondContact CA-O 3.35Å; F69-G82 PolarHBondContact N-O 2.84Å; F69-G82 WeakPolarHBondContact O-CA 3.19Å; N79-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 PolarHBondContact O-N 2.91Å; N79-G82 PolarHBondContact OD1-N 2.81Å; N79-G82 VanDerWaalsContact OD1-N 3.1Å; P80-G82 VanDerWaalsContact C-N 3.28Å
83S97.1Very high95.9Very high51 Ų5143 Ų4336%0.35724%0.24SC..BIsolated β-bridgetrans-65.9142175.8-58.90000110.7I78 N79 L119I78-S83 WeakPolarHBondContact CA-O 3.49Å; N79-S83 PolarHBondContact N-O 2.94Å; N79-S83 WeakPolarHBondContact OD1-CB 3.28Å; N79-S83 PolarHBondContact OD1-N 2.93Å; S83-L119 WeakPolarHBondContact O-CD1 3.48Å
84I97.1Very high95.8Very high11 Ų1145 Ų456%0.05625%0.254CS..BIsolated β-bridgetrans-110136-176.9-49.9171.1000109.3L52 V67 F69 I78 L86 L89 R90 I106 L109L52-I84 HydrophobicContact CD2-CD1 4.22Å; V67-I84 HydrophobicContact CB-CD1 4.31Å; V67-I84 HydrophobicContact CG1-CD1 3.91Å; F69-I84 HydrophobicContact CD2-CD1 3.69Å; F69-I84 HydrophobicContact CD2-CG1 3.77Å; F69-I84 HydrophobicContact CE2-CD1 3.62Å; F69-I84 HydrophobicContact CE2-CG1 3.95Å; I78-I84 HydrophobicContact CG1-CG1 4.47Å; I78-I84 HydrophobicContact CG1-CG2 4.46Å; I84-L86 HydrophobicContact CG2-CB 3.87Å; I84-L89 HydrophobicContact CB-CD1 4.31Å; I84-L89 HydrophobicContact CD1-CD1 4.38Å; I84-R90 PolarHBondContact O-NH2 3.06Å; I84-I106 HydrophobicContact CD1-CD1 3.78Å; I84-I106 HydrophobicContact CD1-CG1 4.21Å; I84-L109 HydrophobicContact CG2-CD2 3.72Å
85C95.3Very high95.7Very high8 Ų845.6 Ų45.65%0.05426%0.263CS..  trans-94.496162.6-168.80000109.1N77 R90 D117 L119N77-C85 HydrophobicContact CB-CB 4.23Å; N77-C85 PolarHBondContact O-N 3.43Å; C85-R90 PolarHBondContact SG-NH1 3.41Å; C85-D117 PolarHBondContact SG-OD2 3.15Å; C85-L119 HydrophobicContact CB-CD1 4.03Å; C85-L119 HydrophobicContact CB-CD2 4.06Å; C85-L119 HydrophobicContact CB-CG 3.68Å
86L94.6Very high95.6Very high16 Ų1648.8 Ų48.88%0.08429%0.29CS..  trans-139.6127.3175.4-174.264.8000107.2I84 I88 L89 I106 L109I84-L86 HydrophobicContact CG2-CB 3.87Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 HydrophobicContact CD2-CD1 4.02Å; L86-I88 HydrophobicContact CD2-CG1 3.66Å; L86-I88 HydrophobicContact CG-CG1 3.7Å; L86-I88 PolarHBondContact O-N 2.88Å; L86-L89 HydrophobicContact CB-CD1 4.18Å; L86-L89 HydrophobicContact CB-CG 4.34Å; L86-L89 HydrophobicContact CD2-CD1 4.27Å; L86-L89 HydrophobicContact CD2-CG 4.28Å; L86-L89 PolarHBondContact O-N 2.67Å; L86-L89 VanDerWaalsContact O-N 3.11Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; L86-L109 HydrophobicContact CD1-CD2 4.44Å
87D93.8Very high95.6Very high94 Ų9450.2 Ų50.250%0.50330%0.297SS..G310 helixtrans-61.7-39.1-172.761.5-21.5000113L89 R90 G91 Q92D87-L89 PolarHBondContact O-N 3.13Å; D87-R90 CarbonylContact O-C 3.6Å; D87-R90 WeakPolarHBondContact O-CA 3.47Å; D87-R90 PolarHBondContact O-N 3.06Å; D87-G91 PolarHBondContact O-N 2.77Å; D87-Q92 HydrophobicContact CB-CB 4.2Å; D87-Q92 HydrophobicContact CB-CG 3.94Å; D87-Q92 PolarHBondContact O-N 2.73Å
88I95.2Very high95.5Very high21 Ų2152 Ų5211%0.10831%0.308CS..G310 helixtrans-66.9-1917763.1156.9000112.9L86 R90 Q92 W93 L97 V102 S105L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 HydrophobicContact CD2-CD1 4.02Å; L86-I88 HydrophobicContact CD2-CG1 3.66Å; L86-I88 HydrophobicContact CG-CG1 3.7Å; L86-I88 PolarHBondContact O-N 2.88Å; I88-R90 VanDerWaalsContact C-N 3.25Å; I88-Q92 HydrophobicContact CG2-CB 4.37Å; I88-W93 VanDerWaalsContact O-CA 3.28Å; I88-W93 WeakPolarHBondContact O-CA 3.43Å; I88-W93 VanDerWaalsContact O-CB 3.25Å; I88-W93 WeakPolarHBondContact O-CB 3.14Å; I88-W93 VanDerWaalsContact O-CE3 3.28Å; I88-W93 PolarHBondContact O-N 3.17Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.06Å; I88-V102 HydrophobicContact CD1-CB 4.46Å; I88-V102 HydrophobicContact CD1-CG2 4.03Å; I88-S105 WeakPolarHBondContact CD1-OG 3.32Å
89L94.9Very high95.4Very high22 Ų2251.9 Ų51.912%0.11531%0.307CS..G310 helixtrans-86.72.9171.5-65.2177.7000112.4V67 I84 L86 D87 V102V67-L89 HydrophobicContact CB-CD1 4.01Å; V67-L89 HydrophobicContact CB-CD2 4.43Å; V67-L89 HydrophobicContact CG2-CD1 4.32Å; V67-L89 HydrophobicContact CG2-CD2 3.85Å; I84-L89 HydrophobicContact CB-CD1 4.31Å; I84-L89 HydrophobicContact CD1-CD1 4.38Å; L86-L89 HydrophobicContact CB-CD1 4.18Å; L86-L89 HydrophobicContact CB-CG 4.34Å; L86-L89 HydrophobicContact CD2-CD1 4.27Å; L86-L89 HydrophobicContact CD2-CG 4.28Å; L86-L89 PolarHBondContact O-N 2.67Å; L86-L89 VanDerWaalsContact O-N 3.11Å; D87-L89 PolarHBondContact O-N 3.13Å; L89-V102 HydrophobicContact CD2-CG1 3.8Å; L89-V102 HydrophobicContact CD2-CG2 4.27Å
90R91.7Very high95.4Very high120 Ų12051.7 Ų51.745%0.45331%0.309SS..THydrogen-bonded Turntrans-134.6-117.5-174.4-59.3179.7-177.2179.33110.1I84 C85 D87 I88 Q92 W93I84-R90 PolarHBondContact O-NH2 3.06Å; C85-R90 PolarHBondContact SG-NH1 3.41Å; D87-R90 CarbonylContact O-C 3.6Å; D87-R90 WeakPolarHBondContact O-CA 3.47Å; D87-R90 PolarHBondContact O-N 3.06Å; I88-R90 VanDerWaalsContact C-N 3.25Å; R90-Q92 VanDerWaalsContact C-N 3.31Å; R90-Q92 PolarHBondContact O-N 3.43Å; R90-W93 PolarHBondContact O-N 3.41Å
91G91.9Very high95.5Very high73 Ų7351.8 Ų51.875%0.75330%0.299SS*.THydrogen-bonded Turntrans-72-19.7-172.900000114.7D87D87-G91 PolarHBondContact O-N 2.77Å
92Q95.9Very high95.6Very high127 Ų12745.1 Ų45.159%0.59326%0.263SS*.THydrogen-bonded Turntrans-9910.7178-59.9-62.6-17.600112.7D87 I88 R90 S94D87-Q92 HydrophobicContact CB-CB 4.2Å; D87-Q92 HydrophobicContact CB-CG 3.94Å; D87-Q92 PolarHBondContact O-N 2.73Å; I88-Q92 HydrophobicContact CG2-CB 4.37Å; R90-Q92 VanDerWaalsContact C-N 3.31Å; R90-Q92 PolarHBondContact O-N 3.43Å; Q92-S94 PolarHBondContact O-N 2.97Å
93W97.6Very high95.6Very high29 Ų2944.9 Ų44.911%0.1126%0.261CS..  trans-63.6132.8172178.6-102.1000110.4Y60 P61 P64 P65 I88 R90 L97 V102Y60-W93 HydrophobicContact CD2-CZ2 4.23Å; Y60-W93 AromaticContact CE2-CH2 3.7Å; Y60-W93 HydrophobicContact CE2-CH2 3.7Å; Y60-W93 AromaticContact CE2-CZ2 3.49Å; Y60-W93 HydrophobicContact CE2-CZ2 3.49Å; Y60-W93 VanDerWaalsContact CE2-CZ2 3.49Å; P61-W93 HydrophobicContact CB-CZ2 4.44Å; P61-W93 PolarHBondContact O-NE1 2.81Å; P64-W93 HydrophobicContact CB-CB 3.9Å; P64-W93 HydrophobicContact CB-CD2 3.56Å; P64-W93 HydrophobicContact CB-CE3 3.91Å; P64-W93 HydrophobicContact CB-CG 3.54Å; P64-W93 HydrophobicContact CG-CB 4.14Å; P64-W93 HydrophobicContact CG-CG 4.08Å; P65-W93 VanDerWaalsContact CD-CH2 3.5Å; P65-W93 HydrophobicContact CG-CH2 4.25Å; P65-W93 HydrophobicContact CG-CZ3 4.3Å; I88-W93 VanDerWaalsContact O-CA 3.28Å; I88-W93 WeakPolarHBondContact O-CA 3.43Å; I88-W93 VanDerWaalsContact O-CB 3.25Å; I88-W93 WeakPolarHBondContact O-CB 3.14Å; I88-W93 VanDerWaalsContact O-CE3 3.28Å; I88-W93 PolarHBondContact O-N 3.17Å; R90-W93 PolarHBondContact O-N 3.41Å; W93-L97 HydrophobicContact CE3-CB 4.12Å; W93-L97 HydrophobicContact CE3-CD1 3.9Å; W93-L97 HydrophobicContact CH2-CB 4.1Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.31Å; W93-V102 HydrophobicContact CZ3-CG2 3.78Å
94S97Very high95.5Very high51 Ų5146.2 Ų46.236%0.35726%0.264SS..  trans-128.1142.4170.7170.40000109.4Q92 A96 L97Q92-S94 PolarHBondContact O-N 2.97Å; S94-A96 PolarHBondContact O-N 2.83Å; S94-A96 PolarHBondContact OG-N 2.81Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 2.91Å
95P96.3Very high95.4Very high52 Ų5247.7 Ų47.734%0.33828%0.275SS..THydrogen-bonded Turntrans-55-16.3172.8-27.435.8000114.9R5 P61 F62R5-P95 PolarHBondContact NH1-O 3.33Å; R5-P95 PolarHBondContact NH2-O 3.33Å; P61-P95 HydrophobicContact CB-CB 4.28Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.46Å; F62-P95 HydrophobicContact CD1-CG 4.25Å
96A96.2Very high95.5Very high68 Ų6847.3 Ų47.356%0.56227%0.273SS*.THydrogen-bonded Turntrans-80.9-11.7175.100000114.1S94S94-A96 PolarHBondContact O-N 2.83Å; S94-A96 PolarHBondContact OG-N 2.81Å
97L96.9Very high95.6Very high30 Ų3047.3 Ų47.316%0.15727%0.274CS..  trans-75.9152.3171.9-64.4175.6000110.4R5 I88 W93 S94 K101R5-L97 PolarHBondContact NH2-O 3.4Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.06Å; W93-L97 HydrophobicContact CE3-CB 4.12Å; W93-L97 HydrophobicContact CE3-CD1 3.9Å; W93-L97 HydrophobicContact CH2-CB 4.1Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.31Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 2.91Å; L97-K101 HydrophobicContact CD2-CD 3.96Å
98T95.6Very high95.6Very high37 Ų3745.9 Ų45.923%0.22727%0.271CS..  trans-125.4163.7-179.560.70000109.8E9 S100 K101 V102E9-T98 WeakPolarHBondContact OE2-CA 3.35Å; E9-T98 VanDerWaalsContact OE2-CB 3.29Å; E9-T98 WeakPolarHBondContact OE2-CB 3.5Å; T98-S100 PolarHBondContact O-N 3.35Å; T98-K101 PolarHBondContact O-N 3.02Å; T98-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact OG1-N 2.93Å; T98-V102 WeakPolarHBondContact O-CG2 3.47Å; T98-V102 PolarHBondContact O-N 3.1Å
99I96.2Very high95.7Very high0 Ų045.5 Ų45.50%027%0.269CS..Hα-helixtrans-58.1-38.7173.2-63.7-55.7000111.3E9 L13 A23 W33 I54 F56 P65 K101 V102 L103E9-I99 PolarHBondContact OE2-N 3.39Å; L13-I99 HydrophobicContact CD1-CB 4.44Å; L13-I99 HydrophobicContact CD1-CG2 4.22Å; A23-I99 HydrophobicContact CB-CG2 4.43Å; W33-I99 HydrophobicContact CE3-CG1 4.49Å; W33-I99 HydrophobicContact CE3-CG2 4.27Å; W33-I99 HydrophobicContact CZ3-CB 4.19Å; W33-I99 HydrophobicContact CZ3-CG1 4.04Å; W33-I99 HydrophobicContact CZ3-CG2 4.07Å; I54-I99 HydrophobicContact CD1-CG2 3.78Å; I54-I99 HydrophobicContact CG2-CD1 3.96Å; F56-I99 HydrophobicContact CE1-CD1 3.62Å; F56-I99 HydrophobicContact CE1-CG1 3.7Å; F56-I99 HydrophobicContact CZ-CD1 3.83Å; F56-I99 HydrophobicContact CZ-CG1 3.71Å; P65-I99 HydrophobicContact CB-CD1 4.23Å; P65-I99 HydrophobicContact CG-CD1 3.75Å; I99-K101 PolarHBondContact O-N 3.06Å; I99-V102 WeakPolarHBondContact O-CB 3.43Å; I99-V102 PolarHBondContact O-N 3.06Å; I99-V102 VanDerWaalsContact O-N 3.16Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 VanDerWaalsContact O-CG 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3Å
100S95.4Very high95.8Very high32 Ų3244.6 Ų44.622%0.22426%0.264CS..Hα-helixtrans-56.5-48.5173.8177.10000111.7T98 V102 L103 L104T98-S100 PolarHBondContact O-N 3.35Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.26Å; S100-L103 PolarHBondContact O-N 3.05Å; S100-L104 WeakPolarHBondContact O-CG 3.28Å; S100-L104 PolarHBondContact O-N 3Å
101K95.3Very high95.9Very high101 Ų10141.2 Ų41.244%0.43926%0.257SS..Hα-helixtrans-62.7-39.7175.6-70177.7-178.8175.20112.4L97 T98 I99 L104 S105L97-K101 HydrophobicContact CD2-CD 3.96Å; T98-K101 PolarHBondContact O-N 3.02Å; T98-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact OG1-N 2.93Å; I99-K101 PolarHBondContact O-N 3.06Å; K101-L104 PolarHBondContact O-N 2.85Å; K101-S105 WeakPolarHBondContact O-CB 3.41Å; K101-S105 PolarHBondContact O-N 2.9Å; K101-S105 PolarHBondContact O-OG 3.34Å; K101-S105 VanDerWaalsContact O-OG 3.11Å
102V96.8Very high96Very high0 Ų042.8 Ų42.80%025%0.248CC..Hα-helixtrans-60.1-47.5175.9169.80000111.3V67 I88 L89 W93 T98 I99 S100 S105 I106V67-V102 HydrophobicContact CG2-CG1 4.11Å; I88-V102 HydrophobicContact CD1-CB 4.46Å; I88-V102 HydrophobicContact CD1-CG2 4.03Å; L89-V102 HydrophobicContact CD2-CG1 3.8Å; L89-V102 HydrophobicContact CD2-CG2 4.27Å; W93-V102 HydrophobicContact CZ3-CG2 3.78Å; T98-V102 WeakPolarHBondContact O-CG2 3.47Å; T98-V102 PolarHBondContact O-N 3.1Å; I99-V102 WeakPolarHBondContact O-CB 3.43Å; I99-V102 PolarHBondContact O-N 3.06Å; I99-V102 VanDerWaalsContact O-N 3.16Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.26Å; V102-S105 PolarHBondContact O-N 2.84Å; V102-I106 HydrophobicContact CG1-CD1 3.91Å; V102-I106 WeakPolarHBondContact O-CG1 3.4Å; V102-I106 PolarHBondContact O-N 3.37Å
103L96.8Very high96Very high0 Ų037.2 Ų37.20%022%0.224CC..Hα-helixtrans-64.3-42179.5-66.2172.8000111.7P18 C21 A23 A35 I37 I54 I99 S100 S105 I106 C107P18-L103 HydrophobicContact CG-CD1 4.44Å; C21-L103 HydrophobicContact CB-CB 4.07Å; C21-L103 HydrophobicContact CB-CD1 4.06Å; A23-L103 HydrophobicContact CB-CD1 3.98Å; A35-L103 HydrophobicContact CB-CD1 4.34Å; A35-L103 HydrophobicContact CB-CD2 3.72Å; I37-L103 HydrophobicContact CD1-CD2 4.13Å; I37-L103 HydrophobicContact CG1-CD2 4.3Å; I54-L103 HydrophobicContact CD1-CD2 4.5Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 VanDerWaalsContact O-CG 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3Å; S100-L103 PolarHBondContact O-N 3.05Å; L103-S105 PolarHBondContact O-N 3.24Å; L103-I106 PolarHBondContact O-N 2.94Å; L103-C107 PolarHBondContact O-N 3.48Å; L103-C107 PolarHBondContact O-SG 3.5Å
104L95.1Very high95.9Very high78 Ų7839.2 Ų39.241%0.40824%0.236SC..Hα-helixtrans-61.8-42.6174.7-69.6172.4000112P18 S100 K101 I106 C107 S108P18-L104 HydrophobicContact CB-CD1 4.46Å; P18-L104 HydrophobicContact CB-CD2 3.92Å; P18-L104 HydrophobicContact CB-CG 4.03Å; S100-L104 WeakPolarHBondContact O-CG 3.28Å; S100-L104 PolarHBondContact O-N 3Å; K101-L104 PolarHBondContact O-N 2.85Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-I106 PolarHBondContact O-N 3.25Å; L104-C107 WeakPolarHBondContact O-CB 3.19Å; L104-C107 PolarHBondContact O-N 2.85Å; L104-S108 PolarHBondContact O-N 2.95Å
105S95.8Very high95.7Very high42 Ų4237.8 Ų37.829%0.29423%0.226SC..Hα-helixtrans-64.4-35.7174.9-66.10000112.6I88 K101 V102 L103 S108 L109I88-S105 WeakPolarHBondContact CD1-OG 3.32Å; K101-S105 WeakPolarHBondContact O-CB 3.41Å; K101-S105 PolarHBondContact O-N 2.9Å; K101-S105 PolarHBondContact O-OG 3.34Å; K101-S105 VanDerWaalsContact O-OG 3.11Å; V102-S105 PolarHBondContact O-N 2.84Å; L103-S105 PolarHBondContact O-N 3.24Å; S105-S108 PolarHBondContact O-N 2.9Å; S105-L109 WeakPolarHBondContact O-CB 3.46Å; S105-L109 PolarHBondContact O-N 2.89Å
106I97Very high95.5Very high0 Ų041.4 Ų41.40%024%0.242CC..Hα-helixtrans-67.7-39.9173.5-65.8165000110.7I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110I37-I106 HydrophobicContact CD1-CB 3.86Å; I37-I106 HydrophobicContact CD1-CG2 3.49Å; I37-I106 VanDerWaalsContact CD1-CG2 3.49Å; L52-I106 HydrophobicContact CD2-CD1 3.94Å; L52-I106 HydrophobicContact CD2-CG2 4.31Å; V67-I106 HydrophobicContact CG1-CD1 3.87Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.74Å; I84-I106 HydrophobicContact CD1-CD1 3.78Å; I84-I106 HydrophobicContact CD1-CG1 4.21Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; V102-I106 HydrophobicContact CG1-CD1 3.91Å; V102-I106 WeakPolarHBondContact O-CG1 3.4Å; V102-I106 PolarHBondContact O-N 3.37Å; L103-I106 PolarHBondContact O-N 2.94Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-I106 PolarHBondContact O-N 3.25Å; I106-S108 VanDerWaalsContact C-N 3.35Å; I106-S108 PolarHBondContact O-N 2.87Å; I106-L109 WeakPolarHBondContact O-CB 3.49Å; I106-L109 PolarHBondContact O-N 2.89Å; I106-L109 VanDerWaalsContact O-N 3.13Å; I106-L110 WeakPolarHBondContact O-CG 3.05Å; I106-L110 PolarHBondContact O-N 3.38Å
107C95.7Very high95.3Very high16 Ų1642.3 Ų42.311%0.10824%0.237CC..Hα-helixtrans-60.6-44.8175.1-66.60000111.9C21 I37 L103 L104 L109 L110 T111C21-C107 PolarHBondContact SG-SG 3.13Å; I37-C107 WeakPolarHBondContact CG2-SG 3.48Å; L103-C107 PolarHBondContact O-N 3.48Å; L103-C107 PolarHBondContact O-SG 3.5Å; L104-C107 WeakPolarHBondContact O-CB 3.19Å; L104-C107 PolarHBondContact O-N 2.85Å; C107-L109 VanDerWaalsContact C-N 3.28Å; C107-L109 PolarHBondContact O-N 3Å; C107-L110 WeakPolarHBondContact O-CB 3.44Å; C107-L110 PolarHBondContact O-N 2.9Å; C107-L110 VanDerWaalsContact O-N 3.13Å; C107-T111 PolarHBondContact O-N 3.14Å
108S95.2Very high95.1Very high64 Ų6442.6 Ų42.645%0.44824%0.241SC..Hα-helixtrans-63-35.7174177.90000111.8L104 S105 I106 L110 T111 D112L104-S108 PolarHBondContact O-N 2.95Å; S105-S108 PolarHBondContact O-N 2.9Å; I106-S108 VanDerWaalsContact C-N 3.35Å; I106-S108 PolarHBondContact O-N 2.87Å; S108-L110 VanDerWaalsContact C-N 3.26Å; S108-L110 PolarHBondContact O-N 3.49Å; S108-T111 PolarHBondContact O-N 2.79Å; S108-T111 PolarHBondContact O-OG1 3.03Å; S108-D112 PolarHBondContact O-N 3.41Å
109L96.1Very high95.1Very high14 Ų1443.5 Ų43.57%0.07324%0.244CC..Hα-helixtrans-62.4-35.4174.6-173.565.8000111.8H75 N77 I84 L86 S105 I106 C107 D112H75-L109 PolarHBondContact NE2-O 3.19Å; N77-L109 HydrophobicContact CB-CD1 4.11Å; N77-L109 HydrophobicContact CB-CD2 4Å; N77-L109 HydrophobicContact CB-CG 4.34Å; I84-L109 HydrophobicContact CG2-CD2 3.72Å; L86-L109 HydrophobicContact CD1-CD2 4.44Å; S105-L109 WeakPolarHBondContact O-CB 3.46Å; S105-L109 PolarHBondContact O-N 2.89Å; I106-L109 WeakPolarHBondContact O-CB 3.49Å; I106-L109 PolarHBondContact O-N 2.89Å; I106-L109 VanDerWaalsContact O-N 3.13Å; C107-L109 VanDerWaalsContact C-N 3.28Å; C107-L109 PolarHBondContact O-N 3Å; L109-D112 CarbonylContact O-C 3.53Å; L109-D112 VanDerWaalsContact O-C 3.31Å
110L96.6Very high95Very high2 Ų244.5 Ų44.51%0.0125%0.251CS..Hα-helixtrans-66.7-34.6176.7-63.5-174000112.7I37 P40 Y45 F69 I73 I78 I106 C107 S108I37-L110 HydrophobicContact CG2-CD1 4.04Å; P40-L110 HydrophobicContact CG-CB 4.25Å; Y45-L110 HydrophobicContact CD2-CB 3.89Å; Y45-L110 HydrophobicContact CD2-CD2 4.47Å; Y45-L110 HydrophobicContact CE2-CB 4.17Å; Y45-L110 HydrophobicContact CE2-CD2 4.36Å; Y45-L110 WeakPolarHBondContact CE2-O 3.49Å; F69-L110 HydrophobicContact CZ-CD2 4.23Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å; I78-L110 HydrophobicContact CD1-CD2 3.87Å; I106-L110 WeakPolarHBondContact O-CG 3.05Å; I106-L110 PolarHBondContact O-N 3.38Å; C107-L110 WeakPolarHBondContact O-CB 3.44Å; C107-L110 PolarHBondContact O-N 2.9Å; C107-L110 VanDerWaalsContact O-N 3.13Å; S108-L110 VanDerWaalsContact C-N 3.26Å; S108-L110 PolarHBondContact O-N 3.49Å
111T94.5Very high95.1Very high50 Ų5047.2 Ų47.231%0.30727%0.268SS..Hα-helixtrans-80.2-38.5175.954.40000112P40 C107 S108 P113P40-T111 HydrophobicContact CB-CG2 3.47Å; P40-T111 VanDerWaalsContact CB-CG2 3.47Å; P40-T111 HydrophobicContact CG-CG2 3.76Å; C107-T111 PolarHBondContact O-N 3.14Å; S108-T111 PolarHBondContact O-N 2.79Å; S108-T111 PolarHBondContact O-OG1 3.03Å; T111-P113 VanDerWaalsContact C-CD 3.42Å; T111-P113 VanDerWaalsContact O-CD 3.28Å; T111-P113 WeakPolarHBondContact O-CD 3.43Å
112D95Very high95.1Very high105 Ų10547.3 Ų47.356%0.56127%0.273SS*.SBendtrans-123.474.1-173.7-56.5-69.5000111.3S108 L109S108-D112 PolarHBondContact O-N 3.41Å; L109-D112 CarbonylContact O-C 3.53Å; L109-D112 VanDerWaalsContact O-C 3.31Å
113P95.7Very high95.1Very high11 Ų1148 Ų487%0.07128%0.277CS..  trans-55.6147.2174.1-25.131.6000112.2H75 P76 T111 P115 Y127H75-P113 WeakPolarHBondContact NE2-CG 3.41Å; P76-P113 HydrophobicContact CB-CB 4.46Å; P76-P113 HydrophobicContact CG-CB 3.85Å; T111-P113 VanDerWaalsContact C-CD 3.42Å; T111-P113 VanDerWaalsContact O-CD 3.28Å; T111-P113 WeakPolarHBondContact O-CD 3.43Å; P113-P115 WeakPolarHBondContact O-CD 3.43Å; P113-Y127 HydrophobicContact CB-CD2 4.45Å; P113-Y127 HydrophobicContact CB-CE2 3.96Å; P113-Y127 HydrophobicContact CG-CD2 4.25Å; P113-Y127 HydrophobicContact CG-CE2 3.55Å
114N93.9Very high95.2Very high71 Ų7148.1 Ų48.138%0.3828%0.279SS..  trans-101.989.1171.5179.3-0.4000110.6N77 D116 D117N77-N114 PolarHBondContact ND2-O 2.97Å; N77-N114 PolarHBondContact OD1-N 3.4Å; N77-N114 PolarHBondContact OD1-O 3.32Å; N114-D116 PolarHBondContact O-N 2.85Å; N114-D116 WeakPolarHBondContact OD1-CB 3.33Å; N114-D116 PolarHBondContact OD1-N 3.09Å; N114-D117 PolarHBondContact O-N 3.43Å; N114-D117 PolarHBondContact OD1-N 3.23Å
115P92.9Very high95.3Very high20 Ų2051.8 Ų51.813%0.1329%0.287CS..THydrogen-bonded Turntrans-76.33.3-178.636.5-41.8000114P113 A124 Y127 K128P113-P115 WeakPolarHBondContact O-CD 3.43Å; P115-A124 HydrophobicContact CB-CB 4.07Å; P115-Y127 HydrophobicContact CB-CD1 3.85Å; P115-Y127 HydrophobicContact CB-CE1 4.37Å; P115-Y127 HydrophobicContact CG-CD1 3.8Å; P115-Y127 HydrophobicContact CG-CE1 3.86Å; P115-K128 HydrophobicContact CB-CD 4.09Å; P115-K128 HydrophobicContact CB-CG 3.95Å; P115-K128 HydrophobicContact CG-CD 4.32Å; P115-K128 VanDerWaalsContact CG-CE 3.46Å; P115-K128 HydrophobicContact CG-CG 4.05Å; P115-K128 PolarHBondContact O-NZ 2.84Å
116D92.6Very high95.4Very high129 Ų12951.6 Ų51.669%0.6928%0.282SS*.THydrogen-bonded Turntrans-91-21.6174.9-63.6-37.8000113N114 P118 K128N114-D116 PolarHBondContact O-N 2.85Å; N114-D116 WeakPolarHBondContact OD1-CB 3.33Å; N114-D116 PolarHBondContact OD1-N 3.09Å; D116-P118 VanDerWaalsContact C-CD 3.42Å; D116-K128 WeakPolarHBondContact OD1-CE 3.42Å; D116-K128 IonicContact OD1-NZ 3.64Å; D116-K128 PolarHBondContact OD1-NZ 2.74Å
117D91.3Very high95.4Very high86 Ų8653.3 Ų53.346%0.4629%0.289SS..SBendtrans-126.963.3169.8-171.217.5000112.1N77 C85 N114N77-D117 PolarHBondContact ND2-O 3.3Å; C85-D117 PolarHBondContact SG-OD2 3.15Å; N114-D117 PolarHBondContact O-N 3.43Å; N114-D117 PolarHBondContact OD1-N 3.23Å
118P93.4Very high95.5Very high37 Ų3758.1 Ų58.124%0.2431%0.308CS..  trans-83.7146.5-174.135.3-36.4000113P76 D116 A124P76-P118 HydrophobicContact CB-CB 4.43Å; P76-P118 WeakPolarHBondContact O-CA 3.2Å; P76-P118 WeakPolarHBondContact O-CB 3.49Å; D116-P118 VanDerWaalsContact C-CD 3.42Å; P118-A124 HydrophobicContact CB-CB 3.42Å; P118-A124 VanDerWaalsContact CB-CB 3.42Å; P118-A124 HydrophobicContact CG-CB 3.66Å
119L95Very high95.6Very high55 Ų5560.3 Ų60.329%0.28832%0.318SS..SBendtrans-82.4-21.7163-65.7-179.4000112.3P76 N77 N79 S83 C85 P121P76-L119 PolarHBondContact O-N 2.62Å; N77-L119 WeakPolarHBondContact O-CD1 3.44Å; N79-L119 HydrophobicContact CB-CB 4.03Å; N79-L119 HydrophobicContact CB-CD1 4.23Å; S83-L119 WeakPolarHBondContact O-CD1 3.48Å; C85-L119 HydrophobicContact CB-CD1 4.03Å; C85-L119 HydrophobicContact CB-CD2 4.06Å; C85-L119 HydrophobicContact CB-CG 3.68Å; L119-P121 WeakPolarHBondContact O-CD 3.25Å
120C95.4Very high95.6Very high21 Ų2163.3 Ų63.314%0.14233%0.334CS..  trans-121.485.5-179.2-660000109.5P76 I78 D122 V123 A124P76-C120 PolarHBondContact O-N 3.23Å; I78-C120 PolarHBondContact O-SG 3.47Å; I78-C120 VanDerWaalsContact O-SG 3.32Å; C120-D122 VanDerWaalsContact C-N 3.27Å; C120-D122 PolarHBondContact O-N 3.37Å; C120-V123 HydrophobicContact CB-CB 3.81Å; C120-V123 HydrophobicContact CB-CG2 3.61Å; C120-V123 PolarHBondContact O-N 2.79Å; C120-V123 VanDerWaalsContact O-N 3.09Å; C120-A124 PolarHBondContact O-N 3.34Å
121P96.3Very high95.7Very high89 Ų8968 Ų6858%0.57835%0.352SS*.Hα-helixtrans-57-36.1-175.5-27.935.8000114.3L119 A124 R125L119-P121 WeakPolarHBondContact O-CD 3.25Å; P121-A124 PolarHBondContact O-N 2.84Å; P121-R125 WeakPolarHBondContact O-CB 3.37Å; P121-R125 PolarHBondContact O-N 3.29Å
122D96.3Very high95.8Very high103 Ų10372.8 Ų72.855%0.55137%0.368SS*.Hα-helixtrans-66.7-40.3177.6-71.2-48.4000112.5C120 R125 Q126C120-D122 VanDerWaalsContact C-N 3.27Å; C120-D122 PolarHBondContact O-N 3.37Å; D122-R125 PolarHBondContact O-N 2.86Å; D122-R125 IonicContact OD1-CZ 2.84Å; D122-R125 IonicContact OD1-NH1 2.85Å; D122-R125 IonicContact OD1-NH2 3.34Å; D122-R125 PolarHBondContact OD1-NH2 3.12Å; D122-Q126 PolarHBondContact O-N 2.79Å
123V97.3Very high96Very high14 Ų1471.8 Ų71.89%0.08536%0.359CS..Hα-helixtrans-67-41.2176.5-175.30000109.9Y74 P76 C120 Q126 Y127 Y134Y74-V123 HydrophobicContact CD1-CG1 4.06Å; Y74-V123 HydrophobicContact CD2-CG2 4.28Å; Y74-V123 HydrophobicContact CE1-CG1 3.69Å; Y74-V123 HydrophobicContact CE1-CG2 4.39Å; Y74-V123 HydrophobicContact CE2-CG1 4.35Å; Y74-V123 HydrophobicContact CE2-CG2 3.62Å; P76-V123 HydrophobicContact CG-CG1 4.06Å; C120-V123 HydrophobicContact CB-CB 3.81Å; C120-V123 HydrophobicContact CB-CG2 3.61Å; C120-V123 PolarHBondContact O-N 2.79Å; C120-V123 VanDerWaalsContact O-N 3.09Å; V123-Q126 PolarHBondContact O-N 2.75Å; V123-Y127 WeakPolarHBondContact O-CB 3.42Å; V123-Y127 PolarHBondContact O-N 2.84Å; V123-Y134 HydrophobicContact CG1-CD2 4.02Å; V123-Y134 HydrophobicContact CG1-CE2 3.68Å
124A97.4Very high96.1Very high4 Ų471.3 Ų71.33%0.03336%0.356CS..Hα-helixtrans-64.5-41.3175.600000112.8P76 P115 P118 C120 P121 Y127 K128P76-A124 HydrophobicContact CB-CB 4.02Å; P115-A124 HydrophobicContact CB-CB 4.07Å; P118-A124 HydrophobicContact CB-CB 3.42Å; P118-A124 VanDerWaalsContact CB-CB 3.42Å; P118-A124 HydrophobicContact CG-CB 3.66Å; C120-A124 PolarHBondContact O-N 3.34Å; P121-A124 PolarHBondContact O-N 2.84Å; A124-Y127 WeakPolarHBondContact O-CB 3.31Å; A124-Y127 PolarHBondContact O-N 2.77Å; A124-K128 WeakPolarHBondContact O-CG 3.41Å; A124-K128 PolarHBondContact O-N 2.65Å
125R97.7Very high96.3Very high154 Ų15469.2 Ų69.258%0.58135%0.345SS*.Hα-helixtrans-60.1-50173.4-177.7-178.862.9-149.3-13.7110.1P121 D122 Y127 K128 T129P121-R125 WeakPolarHBondContact O-CB 3.37Å; P121-R125 PolarHBondContact O-N 3.29Å; D122-R125 PolarHBondContact O-N 2.86Å; D122-R125 IonicContact OD1-CZ 2.84Å; D122-R125 IonicContact OD1-NH1 2.85Å; D122-R125 IonicContact OD1-NH2 3.34Å; D122-R125 PolarHBondContact OD1-NH2 3.12Å; R125-Y127 VanDerWaalsContact C-N 3.34Å; R125-Y127 PolarHBondContact O-N 3.31Å; R125-K128 PolarHBondContact O-N 2.86Å; R125-K128 VanDerWaalsContact O-N 3.14Å; R125-T129 HydrophobicContact CG-CG2 4.22Å; R125-T129 WeakPolarHBondContact O-CG2 3.37Å; R125-T129 PolarHBondContact O-N 3.16Å; R125-T129 PolarHBondContact O-OG1 3.14Å
126Q97.6Very high96.5Very high38 Ų3872 Ų7218%0.17836%0.356CS..Hα-helixtrans-61.5-42.5178.5-171.5178.148.700112Y74 D122 V123 K128 T129 D130Y74-Q126 PolarHBondContact OH-OE1 3.44Å; D122-Q126 PolarHBondContact O-N 2.79Å; V123-Q126 PolarHBondContact O-N 2.75Å; Q126-K128 VanDerWaalsContact C-N 3.25Å; Q126-K128 PolarHBondContact O-N 2.98Å; Q126-T129 PolarHBondContact O-N 2.97Å; Q126-D130 CarbonylContact O-C 3.56Å; Q126-D130 WeakPolarHBondContact O-CA 3.29Å; Q126-D130 PolarHBondContact O-N 2.96Å; Q126-D130 VanDerWaalsContact O-O 3.13Å
127Y97.4Very high96.8Very high37 Ų3768.2 Ų68.215%0.14534%0.336CS..Hα-helixtrans-54.9-41.7174.1178.4-89.7000112.2P76 P113 P115 V123 A124 R125 R131 Y134P76-Y127 HydrophobicContact CG-CD2 4.34Å; P76-Y127 HydrophobicContact CG-CG 4.22Å; P113-Y127 HydrophobicContact CB-CD2 4.45Å; P113-Y127 HydrophobicContact CB-CE2 3.96Å; P113-Y127 HydrophobicContact CG-CD2 4.25Å; P113-Y127 HydrophobicContact CG-CE2 3.55Å; P115-Y127 HydrophobicContact CB-CD1 3.85Å; P115-Y127 HydrophobicContact CB-CE1 4.37Å; P115-Y127 HydrophobicContact CG-CD1 3.8Å; P115-Y127 HydrophobicContact CG-CE1 3.86Å; V123-Y127 WeakPolarHBondContact O-CB 3.42Å; V123-Y127 PolarHBondContact O-N 2.84Å; A124-Y127 WeakPolarHBondContact O-CB 3.31Å; A124-Y127 PolarHBondContact O-N 2.77Å; R125-Y127 VanDerWaalsContact C-N 3.34Å; R125-Y127 PolarHBondContact O-N 3.31Å; Y127-R131 PolarHBondContact OH-NH1 3.36Å; Y127-Y134 AromaticContact CD2-CD1 3.66Å; Y127-Y134 HydrophobicContact CD2-CD1 3.66Å; Y127-Y134 HydrophobicContact CD2-CD2 4.2Å; Y127-Y134 AromaticContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE2 4.06Å; Y127-Y134 AromaticContact CD2-CG 4Å; Y127-Y134 HydrophobicContact CD2-CG 4Å; Y127-Y134 AromaticContact CD2-CZ 3.7Å; Y127-Y134 HydrophobicContact CE2-CD1 4.34Å; Y127-Y134 AromaticContact CE2-CE1 3.96Å; Y127-Y134 HydrophobicContact CE2-CE1 3.96Å
128K97Very high97.1Very high117 Ų11764.1 Ų64.151%0.50931%0.314SS..Hα-helixtrans-75.3-37.7178.2-74.2176.1166.2166.10113.7P115 D116 A124 R125 Q126P115-K128 HydrophobicContact CB-CD 4.09Å; P115-K128 HydrophobicContact CB-CG 3.95Å; P115-K128 HydrophobicContact CG-CD 4.32Å; P115-K128 VanDerWaalsContact CG-CE 3.46Å; P115-K128 HydrophobicContact CG-CG 4.05Å; P115-K128 PolarHBondContact O-NZ 2.84Å; D116-K128 WeakPolarHBondContact OD1-CE 3.42Å; D116-K128 IonicContact OD1-NZ 3.64Å; D116-K128 PolarHBondContact OD1-NZ 2.74Å; A124-K128 WeakPolarHBondContact O-CG 3.41Å; A124-K128 PolarHBondContact O-N 2.65Å; R125-K128 PolarHBondContact O-N 2.86Å; R125-K128 VanDerWaalsContact O-N 3.14Å; Q126-K128 VanDerWaalsContact C-N 3.25Å; Q126-K128 PolarHBondContact O-N 2.98Å
129T97.6Very high97.3Very high110 Ų11067.9 Ų67.968%0.67532%0.323SS*.Hα-helixtrans-99.2-27.2-170.161.70000114.4R125 Q126R125-T129 HydrophobicContact CG-CG2 4.22Å; R125-T129 WeakPolarHBondContact O-CG2 3.37Å; R125-T129 PolarHBondContact O-N 3.16Å; R125-T129 PolarHBondContact O-OG1 3.14Å; Q126-T129 PolarHBondContact O-N 2.97Å
130D97.4Very high97.5Very high76 Ų7669 Ų6941%0.40633%0.332SS..  trans-148.675.4-177.7-171.1-13000110.1Q126 K132 K133 Y134Q126-D130 CarbonylContact O-C 3.56Å; Q126-D130 WeakPolarHBondContact O-CA 3.29Å; Q126-D130 PolarHBondContact O-N 2.96Å; Q126-D130 VanDerWaalsContact O-O 3.13Å; D130-K132 PolarHBondContact O-N 3.31Å; D130-K133 HydrophobicContact CB-CB 4.15Å; D130-K133 PolarHBondContact O-N 3.31Å; D130-K133 WeakPolarHBondContact OD1-CB 3.33Å; D130-K133 PolarHBondContact OD1-N 3.44Å; D130-K133 WeakPolarHBondContact OD2-CB 3.37Å; D130-Y134 PolarHBondContact O-N 3.39Å
131R97.3Very high97.6Very high101 Ų10171.5 Ų71.538%0.38134%0.339SS..Hα-helixtrans-58.9-37.1-178.3-17956.6-175.7-1064.9112.4Y127 Y134 D135Y127-R131 PolarHBondContact OH-NH1 3.36Å; R131-Y134 WeakPolarHBondContact O-CB 3.44Å; R131-Y134 PolarHBondContact O-N 3.06Å; R131-D135 IonicContact CZ-OD1 2.67Å; R131-D135 IonicContact NE-OD1 2.74Å; R131-D135 PolarHBondContact NE-OD1 3.31Å; R131-D135 IonicContact NE-OD2 3.72Å; R131-D135 PolarHBondContact NE-OD2 2.91Å; R131-D135 IonicContact NH2-OD1 2.97Å; R131-D135 VanDerWaalsContact O-CG 3.3Å; R131-D135 PolarHBondContact O-N 3.47Å
132K98Very high97.7Very high150 Ų15067.4 Ų67.465%0.65231%0.312SS*.Hα-helixtrans-62-48.1178.5-176.2-179.3175.6-176.50110.8D130 Y134 D135 E136D130-K132 PolarHBondContact O-N 3.31Å; K132-Y134 VanDerWaalsContact C-N 3.34Å; K132-D135 PolarHBondContact O-N 2.98Å; K132-E136 VanDerWaalsContact CE-OE1 3.28Å; K132-E136 WeakPolarHBondContact CE-OE1 3.29Å; K132-E136 WeakPolarHBondContact O-CG 3.35Å; K132-E136 PolarHBondContact O-N 2.92Å
133K97.9Very high97.7Very high84 Ų8468.5 Ų68.537%0.36531%0.314SS..Hα-helixtrans-66.9-37.7179.2-171.864.7-176.5172.80112.6D130 E136 L137D130-K133 HydrophobicContact CB-CB 4.15Å; D130-K133 PolarHBondContact O-N 3.31Å; D130-K133 WeakPolarHBondContact OD1-CB 3.33Å; D130-K133 PolarHBondContact OD1-N 3.44Å; D130-K133 WeakPolarHBondContact OD2-CB 3.37Å; K133-E136 IonicContact NZ-OE2 3.52Å; K133-E136 PolarHBondContact O-N 3.42Å; K133-L137 HydrophobicContact CG-CD1 4.27Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 3.38Å
134Y98.2Very high97.7Very high1 Ų174.5 Ų74.50%0.00434%0.339CS..Hα-helixtrans-56.5-52.7171.5167.8-92.3000111.1P44 Y45 Y74 P76 V123 Y127 D130 R131 K132 E136 L137 A138P44-Y134 HydrophobicContact CG-CE1 4.38Å; Y45-Y134 PolarHBondContact OH-OH 2.96Å; Y74-Y134 HydrophobicContact CD1-CD2 4.12Å; Y74-Y134 HydrophobicContact CD1-CE2 4.07Å; Y74-Y134 AromaticContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CE2 4.19Å; P76-Y134 VanDerWaalsContact CD-OH 3.31Å; P76-Y134 WeakPolarHBondContact CD-OH 3.37Å; P76-Y134 HydrophobicContact CG-CE2 4.18Å; V123-Y134 HydrophobicContact CG1-CD2 4.02Å; V123-Y134 HydrophobicContact CG1-CE2 3.68Å; Y127-Y134 AromaticContact CD2-CD1 3.66Å; Y127-Y134 HydrophobicContact CD2-CD1 3.66Å; Y127-Y134 HydrophobicContact CD2-CD2 4.2Å; Y127-Y134 AromaticContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE2 4.06Å; Y127-Y134 AromaticContact CD2-CG 4Å; Y127-Y134 HydrophobicContact CD2-CG 4Å; Y127-Y134 AromaticContact CD2-CZ 3.7Å; Y127-Y134 HydrophobicContact CE2-CD1 4.34Å; Y127-Y134 AromaticContact CE2-CE1 3.96Å; Y127-Y134 HydrophobicContact CE2-CE1 3.96Å; D130-Y134 PolarHBondContact O-N 3.39Å; R131-Y134 WeakPolarHBondContact O-CB 3.44Å; R131-Y134 PolarHBondContact O-N 3.06Å; K132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-E136 VanDerWaalsContact C-N 3.33Å; Y134-E136 PolarHBondContact O-N 2.92Å; Y134-L137 PolarHBondContact O-N 3.29Å; Y134-A138 WeakPolarHBondContact O-CB 3.45Å; Y134-A138 PolarHBondContact O-N 3.42Å
135D98.2Very high97.7Very high27 Ų2778.1 Ų78.114%0.14435%0.352CS..Hα-helixtrans-64.3-37.3-177.8-67.9-25000111.6P44 R131 K132 R139P44-D135 HydrophobicContact CB-CB 4.31Å; R131-D135 IonicContact CZ-OD1 2.67Å; R131-D135 IonicContact NE-OD1 2.74Å; R131-D135 PolarHBondContact NE-OD1 3.31Å; R131-D135 IonicContact NE-OD2 3.72Å; R131-D135 PolarHBondContact NE-OD2 2.91Å; R131-D135 IonicContact NH2-OD1 2.97Å; R131-D135 VanDerWaalsContact O-CG 3.3Å; R131-D135 PolarHBondContact O-N 3.47Å; K132-D135 PolarHBondContact O-N 2.98Å; D135-R139 WeakPolarHBondContact O-CB 3.44Å; D135-R139 VanDerWaalsContact O-CG 3.28Å; D135-R139 WeakPolarHBondContact O-CG 3.28Å; D135-R139 PolarHBondContact O-N 2.94Å
136E98.2Very high97.7Very high78 Ų7871 Ų7136%0.36433%0.327SS..Hα-helixtrans-59.2-49.4172.8-76173.6-169.900111.9K132 K133 Y134 R139 V140K132-E136 VanDerWaalsContact CE-OE1 3.28Å; K132-E136 WeakPolarHBondContact CE-OE1 3.29Å; K132-E136 WeakPolarHBondContact O-CG 3.35Å; K132-E136 PolarHBondContact O-N 2.92Å; K133-E136 IonicContact NZ-OE2 3.52Å; K133-E136 PolarHBondContact O-N 3.42Å; Y134-E136 VanDerWaalsContact C-N 3.33Å; Y134-E136 PolarHBondContact O-N 2.92Å; E136-R139 PolarHBondContact O-N 3.48Å; E136-V140 VanDerWaalsContact O-CG2 3.23Å; E136-V140 WeakPolarHBondContact O-CG2 3.5Å; E136-V140 PolarHBondContact O-N 2.94Å
137L97.8Very high97.5Very high51 Ų5172.9 Ų72.927%0.26734%0.336SS..Hα-helixtrans-68-40.8-179.3-72173.6000112.1Y74 K133 Y134 V140 W141Y74-L137 HydrophobicContact CD1-CB 4.13Å; Y74-L137 HydrophobicContact CE1-CB 4.03Å; Y74-L137 HydrophobicContact CE1-CD1 4.36Å; K133-L137 HydrophobicContact CG-CD1 4.27Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 3.38Å; Y134-L137 PolarHBondContact O-N 3.29Å; L137-V140 PolarHBondContact O-N 3.01Å; L137-W141 VanDerWaalsContact O-CD1 3.25Å; L137-W141 PolarHBondContact O-N 3.03Å
138A98.2Very high96.5Very high0 Ų078.4 Ų78.40%037%0.368CS..Hα-helixtrans-60.7-44.3175.200000111.2P44 Y45 Y74 Y134 V140 W141 T142P44-A138 HydrophobicContact CB-CB 3.59Å; P44-A138 HydrophobicContact CG-CB 3.8Å; Y45-A138 HydrophobicContact CE1-CB 4.09Å; Y74-A138 HydrophobicContact CD1-CB 4.3Å; Y134-A138 WeakPolarHBondContact O-CB 3.45Å; Y134-A138 PolarHBondContact O-N 3.42Å; A138-V140 PolarHBondContact O-N 3.18Å; A138-W141 PolarHBondContact O-N 3.44Å; A138-T142 PolarHBondContact O-N 2.87Å; A138-T142 PolarHBondContact O-OG1 3.04Å
139R98.1Very high94.3Very high115 Ų11582 Ų8243%0.43440%0.404SS..Hα-helixtrans-60-42.7173.1-74.4-177.7-167.1102.6-0.1113P44 D135 E136 W141 T142 Q143P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.36Å; P44-R139 WeakPolarHBondContact O-CG 3.19Å; D135-R139 WeakPolarHBondContact O-CB 3.44Å; D135-R139 VanDerWaalsContact O-CG 3.28Å; D135-R139 WeakPolarHBondContact O-CG 3.28Å; D135-R139 PolarHBondContact O-N 2.94Å; E136-R139 PolarHBondContact O-N 3.48Å; R139-W141 VanDerWaalsContact C-N 3.29Å; R139-W141 PolarHBondContact O-N 3.32Å; R139-T142 WeakPolarHBondContact O-CB 3.34Å; R139-T142 PolarHBondContact O-N 3.04Å; R139-Q143 WeakPolarHBondContact O-CG 3.35Å; R139-Q143 PolarHBondContact O-N 2.86Å
140V97.9Very high94.2Very high79 Ų7980.6 Ų80.648%0.47939%0.39SS..Hα-helixtrans-60.6-41176.3171.90000111.1E136 L137 A138 K144E136-V140 VanDerWaalsContact O-CG2 3.23Å; E136-V140 WeakPolarHBondContact O-CG2 3.5Å; E136-V140 PolarHBondContact O-N 2.94Å; L137-V140 PolarHBondContact O-N 3.01Å; A138-V140 PolarHBondContact O-N 3.18Å; V140-K144 WeakPolarHBondContact O-CB 3.38Å; V140-K144 PolarHBondContact O-N 2.9Å
141W97.7Very high94Very high74 Ų7480.8 Ų80.828%0.2839%0.389SS..Hα-helixtrans-68-42.7176.5-84.557000112.3K72 Y74 L137 A138 R139 K144 Y145K72-W141 HydrophobicContact CB-CE3 4.23Å; K72-W141 HydrophobicContact CB-CZ3 4.08Å; Y74-W141 HydrophobicContact CD2-CD2 4.36Å; Y74-W141 HydrophobicContact CD2-CZ2 4.17Å; L137-W141 VanDerWaalsContact O-CD1 3.25Å; L137-W141 PolarHBondContact O-N 3.03Å; A138-W141 PolarHBondContact O-N 3.44Å; R139-W141 VanDerWaalsContact C-N 3.29Å; R139-W141 PolarHBondContact O-N 3.32Å; W141-K144 PolarHBondContact O-N 3.23Å; W141-Y145 HydrophobicContact CB-CD2 4.23Å; W141-Y145 HydrophobicContact CD2-CD2 4.1Å; W141-Y145 AromaticContact CD2-CE2 3.86Å; W141-Y145 HydrophobicContact CD2-CE2 3.86Å; W141-Y145 AromaticContact CE3-CD2 3.92Å; W141-Y145 HydrophobicContact CE3-CD2 3.92Å; W141-Y145 AromaticContact CE3-CE2 3.89Å; W141-Y145 HydrophobicContact CE3-CE2 3.89Å; W141-Y145 HydrophobicContact CG-CD2 4.26Å; W141-Y145 HydrophobicContact CG-CE2 4.2Å; W141-Y145 HydrophobicContact CZ3-CE2 4.42Å; W141-Y145 WeakPolarHBondContact O-CB 3.22Å; W141-Y145 WeakPolarHBondContact O-CD2 3.28Å; W141-Y145 PolarHBondContact O-N 3.03Å
142T98.2Very high93.8Very high3 Ų379.7 Ų79.72%0.01839%0.39CS..Hα-helixtrans-55.9-52.4174.6-57.90000110.6P44 Y45 F50 A138 R139 K144 Y145 A146 M147P44-T142 PolarHBondContact O-OG1 3.26Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.33Å; Y45-T142 VanDerWaalsContact O-CG2 3.29Å; Y45-T142 WeakPolarHBondContact O-CG2 3.38Å; F50-T142 HydrophobicContact CZ-CG2 4.11Å; A138-T142 PolarHBondContact O-N 2.87Å; A138-T142 PolarHBondContact O-OG1 3.04Å; R139-T142 WeakPolarHBondContact O-CB 3.34Å; R139-T142 PolarHBondContact O-N 3.04Å; T142-K144 VanDerWaalsContact C-N 3.29Å; T142-K144 PolarHBondContact O-N 3.23Å; T142-Y145 PolarHBondContact O-N 2.85Å; T142-A146 HydrophobicContact CG2-CB 4.34Å; T142-A146 CarbonylContact O-C 3.47Å; T142-A146 WeakPolarHBondContact O-CA 3.37Å; T142-A146 WeakPolarHBondContact O-CB 3.23Å; T142-A146 PolarHBondContact O-N 3.2Å; T142-M147 HydrophobicContact CG2-CG 4.34Å; T142-M147 PolarHBondContact O-N 2.97Å
143Q97.2Very high93.6Very high126 Ų12675.6 Ų75.659%0.58937%0.374SS*.Hα-helixtrans-59.3-39.3177.7-71.9172.114.800112.6R139 M147R139-Q143 WeakPolarHBondContact O-CG 3.35Å; R139-Q143 PolarHBondContact O-N 2.86Å; Q143-M147 HydrophobicContact CB-SD 4.24Å; Q143-M147 HydrophobicContact CG-SD 3.68Å
144K96.8Very high93.3Very high140 Ų14075.1 Ų75.161%0.60938%0.375SS*.Hα-helixtrans-78.4-33-174.8-175.1174.3180-175.80114.1V140 W141 T142V140-K144 WeakPolarHBondContact O-CB 3.38Å; V140-K144 PolarHBondContact O-N 2.9Å; W141-K144 PolarHBondContact O-N 3.23Å; T142-K144 VanDerWaalsContact C-N 3.29Å; T142-K144 PolarHBondContact O-N 3.23Å
145Y97.1Very high93Very high79 Ų7980 Ų8031%0.3140%0.399SS..Hα-helixtrans-121.6-22.2-167.4-61.7-61.4000114.3T71 K72 W141 T142T71-Y145 VanDerWaalsContact CG2-O 3.29Å; T71-Y145 WeakPolarHBondContact CG2-O 3.35Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 3.9Å; K72-Y145 HydrophobicContact CB-CE2 4.39Å; K72-Y145 HydrophobicContact CB-CG 3.84Å; K72-Y145 HydrophobicContact CD-CD1 4.15Å; K72-Y145 HydrophobicContact CD-CE1 3.95Å; K72-Y145 HydrophobicContact CD-CE2 4.46Å; K72-Y145 HydrophobicContact CD-CG 4.49Å; W141-Y145 HydrophobicContact CB-CD2 4.23Å; W141-Y145 HydrophobicContact CD2-CD2 4.1Å; W141-Y145 AromaticContact CD2-CE2 3.86Å; W141-Y145 HydrophobicContact CD2-CE2 3.86Å; W141-Y145 AromaticContact CE3-CD2 3.92Å; W141-Y145 HydrophobicContact CE3-CD2 3.92Å; W141-Y145 AromaticContact CE3-CE2 3.89Å; W141-Y145 HydrophobicContact CE3-CE2 3.89Å; W141-Y145 HydrophobicContact CG-CD2 4.26Å; W141-Y145 HydrophobicContact CG-CE2 4.2Å; W141-Y145 HydrophobicContact CZ3-CE2 4.42Å; W141-Y145 WeakPolarHBondContact O-CB 3.22Å; W141-Y145 WeakPolarHBondContact O-CD2 3.28Å; W141-Y145 PolarHBondContact O-N 3.03Å; T142-Y145 PolarHBondContact O-N 2.85Å
146A97.2Very high92.6Very high6 Ų683.8 Ų83.85%0.0542%0.418CS..THydrogen-bonded Turntrans-117.9-15.9-172.900000113.4V49 F50 T71 T142V49-A146 PolarHBondContact N-O 3.11Å; F50-A146 HydrophobicContact CD1-CB 3.92Å; F50-A146 HydrophobicContact CE1-CB 3.52Å; F50-A146 HydrophobicContact CE2-CB 4.2Å; F50-A146 HydrophobicContact CG-CB 4.43Å; F50-A146 HydrophobicContact CZ-CB 3.68Å; T71-A146 HydrophobicContact CG2-CB 3.75Å; T142-A146 HydrophobicContact CG2-CB 4.34Å; T142-A146 CarbonylContact O-C 3.47Å; T142-A146 WeakPolarHBondContact O-CA 3.37Å; T142-A146 WeakPolarHBondContact O-CB 3.23Å; T142-A146 PolarHBondContact O-N 3.2Å
147M94.7Very high92.2Very high76 Ų7684.2 Ų84.237%0.37442%0.422SS..SBendtrans-93.9130.8171.5-58.3-177.588.500107.8T142 Q143T142-M147 HydrophobicContact CG2-CG 4.34Å; T142-M147 PolarHBondContact O-N 2.97Å; Q143-M147 HydrophobicContact CB-SD 4.24Å; Q143-M147 HydrophobicContact CG-SD 3.68Å
148D75.1Confident91.7Very high153 Ų15387 Ų8782%0.81844%0.435SS*.  trans-55140.7174.3-91.9-24.2000109.6
149P52.6Low91.1Very high193 Ų19394.9 Ų94.9100%1.25347%0.474SS*.  trans-62.60175.526.1-32.8000113.4

Retrieved 149 of 149 residues in 45.4 ms (Link to these results)

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