A0A087YDD9_POEFO Loading...

Shisa like 2A

AlphaFold DB , UniProt , Accession A0A087YDD9, Species POEFO (Poecilia formosa, Amazon molly), 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
1M59.7Low84.8Confident161 Ų16172.5 Ų72.579%0.79338%0.381SS*.  0133.90-69.292.7167.400108.9F32 P46 N47M1-F32 HydrophobicContact CB-CD1 4.06Å; M1-F32 HydrophobicContact CB-CE1 4.39Å; M1-P46 HydrophobicContact CB-CB 4.42Å; M1-P46 HydrophobicContact CE-CB 3.76Å; M1-P46 HydrophobicContact CE-CG 4.4Å; M1-P46 WeakPolarHBondContact CE-O 3.45Å; M1-P46 HydrophobicContact CG-CB 3.75Å; M1-P46 WeakPolarHBondContact CG-O 3.29Å; M1-P46 HydrophobicContact SD-CB 4Å; M1-N47 WeakPolarHBondContact CE-OD1 3.41Å
2S73.4Confident85Confident66 Ų6677.8 Ų77.846%0.46240%0.403SS..  trans-113.3145.4179.1-176.10000109.7V4 C33S2-V4 PolarHBondContact OG-N 3.46Å; S2-C33 WeakPolarHBondContact O-CB 3.49Å; S2-C33 PolarHBondContact O-N 3.31Å
3A84.8Confident85.1Confident36 Ų3685.5 Ų85.530%0.29843%0.431SS..SBendtrans-75.8-11.216800000111.9T20 C21 V31A3-T20 HydrophobicContact CB-CG2 4.41Å; A3-T20 WeakPolarHBondContact O-CA 3.29Å; A3-C21 WeakPolarHBondContact O-CB 3.14Å; A3-C21 PolarHBondContact O-N 3.46Å; A3-V31 WeakPolarHBondContact CA-O 3.47Å; A3-V31 VanDerWaalsContact CB-O 3.22Å; A3-V31 WeakPolarHBondContact CB-O 3.47Å
4V91.1Very high85.6Confident69 Ų6985.6 Ų85.642%0.41844%0.438SS..EExtended strand (participates in β ladder)trans-92118.2178.6-176.10000109.2S2 T20S2-V4 PolarHBondContact OG-N 3.46Å; V4-T20 HydrophobicContact CG2-CG2 4.23Å
5C91.3Very high86.1Confident0 Ų087.7 Ų87.70%044%0.443CS..EExtended strand (participates in β ladder)trans-87.2114.2165.2-68.70000109.3S18 F19 C33 K40C5-S18 CarbonylContact O-C 3.58Å; C5-S18 WeakPolarHBondContact O-CA 3.37Å; C5-S18 WeakPolarHBondContact O-CB 3.4Å; C5-F19 HydrophobicContact CB-CD1 3.99Å; C5-F19 HydrophobicContact CB-CD2 3.96Å; C5-F19 HydrophobicContact CB-CE1 3.68Å; C5-F19 HydrophobicContact CB-CE2 3.63Å; C5-F19 HydrophobicContact CB-CG 4.13Å; C5-F19 HydrophobicContact CB-CZ 3.49Å; C5-F19 VanDerWaalsContact CB-CZ 3.49Å; C5-F19 PolarHBondContact N-O 3.48Å; C5-F19 PolarHBondContact O-N 2.96Å; C5-F19 WeakPolarHBondContact SG-CE2 3.25Å; C5-F19 WeakPolarHBondContact SG-CZ 3.3Å; C5-C33 WeakPolarHBondContact CA-SG 3.38Å; C5-C33 HydrophobicContact CB-CB 4.14Å; C5-C33 WeakPolarHBondContact CB-SG 3.28Å; C5-C33 VanDerWaalsContact SG-CA 3.54Å; C5-C33 WeakPolarHBondContact SG-CB 3.25Å; C5-C33 CovalentContact SG-SG 2.03Å; C5-C33 PolarHBondContact SG-SG 3.42Å; C5-K40 HydrophobicContact CB-CB 4.31Å; C5-K40 HydrophobicContact CB-CD 4.26Å
6E91.1Very high86.5Confident145 Ų14584.8 Ų84.868%0.67843%0.431SS*.  trans-62.7157.7171.8-65.8-179.8170.200111.4K40E6-K40 WeakPolarHBondContact O-CD 3.43Å; E6-K40 PolarHBondContact O-NZ 2.83Å
7S92.1Very high86.9Confident53 Ų5386.2 Ų86.237%0.37144%0.44SS..  trans-58.5153.8175.656.50000111.7V16 K40S7-V16 CarbonylContact C-O 3.5Å; S7-V16 WeakPolarHBondContact CA-O 3.28Å; S7-V16 VanDerWaalsContact CB-O 3.24Å; S7-V16 WeakPolarHBondContact CB-O 3.19Å; S7-K40 PolarHBondContact O-NZ 3.24Å; S7-K40 VanDerWaalsContact O-NZ 3.17Å
8Y89.9Confident87.3Confident30 Ų3084.9 Ų84.912%0.11844%0.44CS..EExtended strand (participates in β ladder)trans-155.8166.7179.167-78.6000111.2V16 F19 S37 D38 K40Y8-V16 HydrophobicContact CD1-CB 4.01Å; Y8-V16 HydrophobicContact CD1-CG1 4.25Å; Y8-V16 HydrophobicContact CE1-CB 3.64Å; Y8-V16 HydrophobicContact CE1-CG1 3.54Å; Y8-V16 HydrophobicContact CE1-CG2 4.25Å; Y8-V16 HydrophobicContact CE2-CB 4.25Å; Y8-V16 HydrophobicContact CE2-CG2 4.07Å; Y8-V16 HydrophobicContact CG-CB 4.47Å; Y8-V16 PolarHBondContact N-O 3.4Å; Y8-V16 PolarHBondContact O-N 3.37Å; Y8-F19 HydrophobicContact CE1-CE1 4.18Å; Y8-S37 VanDerWaalsContact CB-O 3.27Å; Y8-S37 WeakPolarHBondContact CB-O 3.28Å; Y8-D38 VanDerWaalsContact CE2-C 3.46Å; Y8-D38 VanDerWaalsContact CE2-O 3.27Å; Y8-D38 WeakPolarHBondContact CE2-O 3.43Å; Y8-K40 HydrophobicContact CD1-CB 4.1Å; Y8-K40 HydrophobicContact CD1-CD 3.64Å; Y8-K40 HydrophobicContact CD1-CG 3.85Å; Y8-K40 HydrophobicContact CE1-CB 3.7Å; Y8-K40 HydrophobicContact CE1-CD 4.15Å; Y8-K40 HydrophobicContact CE1-CG 3.96Å; Y8-K40 HydrophobicContact CG-CD 4.19Å; Y8-K40 HydrophobicContact CG-CG 4.28Å; Y8-K40 PolarHBondContact OH-N 3.3Å; Y8-K40 PolarHBondContact OH-O 3.15Å
9H90.5Very high87.6Confident113 Ų11382.3 Ų82.352%0.52343%0.425SS..EExtended strand (participates in β ladder)trans-97.9127.5167.6-76.9-164.7000109.2V14 F15H9-V14 WeakPolarHBondContact CA-O 3.31Å; H9-F15 AromaticContact CD2-CD2 3.54Å; H9-F15 AromaticContact NE2-CD2 3.46Å; H9-F15 WeakPolarHBondContact NE2-CD2 3.34Å
10S86.9Confident87.9Confident21 Ų2182.5 Ų82.515%0.14743%0.43CS..  trans-65.4169.7172.1-166.50000111.1E12 K13 V14 D38S10-E12 WeakPolarHBondContact CB-OE2 3.17Å; S10-E12 PolarHBondContact O-N 3.06Å; S10-E12 PolarHBondContact OG-OE2 3.09Å; S10-K13 VanDerWaalsContact O-CA 3.32Å; S10-K13 WeakPolarHBondContact O-CA 3.43Å; S10-K13 PolarHBondContact O-N 3.18Å; S10-V14 PolarHBondContact N-O 3.11Å; S10-D38 WeakPolarHBondContact CA-O 3.48Å
11R82.4Confident88.1Confident103 Ų10379 Ų7939%0.38941%0.412SS..THydrogen-bonded Turntrans-55.3-32.7171.9-67.6-167.6-162.4142.228.4113.6K13 D38 Y54R11-K13 PolarHBondContact O-N 3.22Å; R11-D38 WeakPolarHBondContact CD-OD2 3.47Å; R11-D38 HydrophobicContact CG-CB 4.35Å; R11-D38 WeakPolarHBondContact CG-OD2 3.34Å; R11-D38 IonicContact CZ-OD2 3.87Å; R11-D38 IonicContact NE-OD2 2.87Å; R11-D38 PolarHBondContact NE-OD2 3.38Å; R11-Y54 VanDerWaalsContact CZ-CE1 3.44Å
12E87.2Confident89.7Confident137 Ų13774.2 Ų74.264%0.6439%0.394SS*.THydrogen-bonded Turntrans-77.47.1176.3-57.570.6-147.100112.1S10 V14S10-E12 WeakPolarHBondContact CB-OE2 3.17Å; S10-E12 PolarHBondContact O-N 3.06Å; S10-E12 PolarHBondContact OG-OE2 3.09Å; E12-V14 HydrophobicContact CB-CG2 4.02Å; E12-V14 PolarHBondContact O-N 3.17Å
13K85.6Confident90.4Very high178 Ų17877.7 Ų77.777%0.77440%0.4SS*.  trans59.724.2-175.4-55.8178.9-179.31760113.6S10 R11S10-K13 VanDerWaalsContact O-CA 3.32Å; S10-K13 WeakPolarHBondContact O-CA 3.43Å; S10-K13 PolarHBondContact O-N 3.18Å; R11-K13 PolarHBondContact O-N 3.22Å
14V92.1Very high90.5Very high86 Ų8681.2 Ų81.252%0.52143%0.429SS..  trans-83.8126.8174.2179.90000108.4H9 S10 E12 V16H9-V14 WeakPolarHBondContact CA-O 3.31Å; S10-V14 PolarHBondContact N-O 3.11Å; E12-V14 HydrophobicContact CB-CG2 4.02Å; E12-V14 PolarHBondContact O-N 3.17Å; V14-V16 PolarHBondContact O-N 3.23Å
15F93.1Very high90.1Very high118 Ų11882.3 Ų82.352%0.51846%0.455SS..EExtended strand (participates in β ladder)trans-68.7125173.3-179.7-93.5000109.7H9 D17H9-F15 AromaticContact CD2-CD2 3.54Å; H9-F15 AromaticContact NE2-CD2 3.46Å; H9-F15 WeakPolarHBondContact NE2-CD2 3.34Å; F15-D17 HydrophobicContact CE1-CB 4.07Å
16V92.4Very high89.6Confident41 Ų4184.6 Ų84.625%0.24848%0.478CS..EExtended strand (participates in β ladder)trans-110.2120.8173-177.70000107S7 Y8 V14S7-V16 CarbonylContact C-O 3.5Å; S7-V16 WeakPolarHBondContact CA-O 3.28Å; S7-V16 VanDerWaalsContact CB-O 3.24Å; S7-V16 WeakPolarHBondContact CB-O 3.19Å; Y8-V16 HydrophobicContact CD1-CB 4.01Å; Y8-V16 HydrophobicContact CD1-CG1 4.25Å; Y8-V16 HydrophobicContact CE1-CB 3.64Å; Y8-V16 HydrophobicContact CE1-CG1 3.54Å; Y8-V16 HydrophobicContact CE1-CG2 4.25Å; Y8-V16 HydrophobicContact CE2-CB 4.25Å; Y8-V16 HydrophobicContact CE2-CG2 4.07Å; Y8-V16 HydrophobicContact CG-CB 4.47Å; Y8-V16 PolarHBondContact N-O 3.4Å; Y8-V16 PolarHBondContact O-N 3.37Å; V14-V16 PolarHBondContact O-N 3.23Å
17D94.4Very high89.3Confident108 Ų10883.7 Ų83.758%0.57847%0.474SS*.  trans-68.4160.6178.7-163.615.8000111.5F15F15-D17 HydrophobicContact CE1-CB 4.07Å
18S93.6Very high89.1Confident63 Ų6385.9 Ų85.944%0.44149%0.489SS..  trans-60.8144.1175.7650000111.3C5C5-S18 CarbonylContact O-C 3.58Å; C5-S18 WeakPolarHBondContact O-CA 3.37Å; C5-S18 WeakPolarHBondContact O-CB 3.4Å
19F92.6Very high89.1Confident36 Ų3687.6 Ų87.616%0.15850%0.503CS..EExtended strand (participates in β ladder)trans-143.3159.5178.162.9-91.9000111.3C5 Y8 K40C5-F19 HydrophobicContact CB-CD1 3.99Å; C5-F19 HydrophobicContact CB-CD2 3.96Å; C5-F19 HydrophobicContact CB-CE1 3.68Å; C5-F19 HydrophobicContact CB-CE2 3.63Å; C5-F19 HydrophobicContact CB-CG 4.13Å; C5-F19 HydrophobicContact CB-CZ 3.49Å; C5-F19 VanDerWaalsContact CB-CZ 3.49Å; C5-F19 PolarHBondContact N-O 3.48Å; C5-F19 PolarHBondContact O-N 2.96Å; C5-F19 WeakPolarHBondContact SG-CE2 3.25Å; C5-F19 WeakPolarHBondContact SG-CZ 3.3Å; Y8-F19 HydrophobicContact CE1-CE1 4.18Å; F19-K40 HydrophobicContact CE1-CB 4.44Å; F19-K40 HydrophobicContact CZ-CB 4.19Å
20T93.4Very high89.1Confident86 Ų8682.6 Ų82.653%0.52848%0.481SS..EExtended strand (participates in β ladder)trans-112.4138.3178.7-48.20000110.1A3 V4A3-T20 HydrophobicContact CB-CG2 4.41Å; A3-T20 WeakPolarHBondContact O-CA 3.29Å; V4-T20 HydrophobicContact CG2-CG2 4.23Å
21C92.6Very high89.4Confident9 Ų984.4 Ų84.46%0.06149%0.491CS..SBendtrans-90.9141.8176.5-67.40000110.9A3 A30 C42A3-C21 WeakPolarHBondContact O-CB 3.14Å; A3-C21 PolarHBondContact O-N 3.46Å; C21-A30 WeakPolarHBondContact CB-O 3.24Å; C21-C42 WeakPolarHBondContact CA-SG 3.4Å; C21-C42 HydrophobicContact CB-CB 3.78Å; C21-C42 WeakPolarHBondContact CB-SG 3.28Å; C21-C42 WeakPolarHBondContact SG-CA 3.28Å; C21-C42 WeakPolarHBondContact SG-CB 3.29Å; C21-C42 CovalentContact SG-SG 2.04Å; C21-C42 PolarHBondContact SG-SG 2.82Å
22P92.6Very high89.7Confident61 Ų6182.2 Ų82.240%0.39648%0.484SS..SBendcis-78.6152.4-2.332-33.7000112.4E27 A30P22-E27 VanDerWaalsContact CB-O 3.29Å; P22-E27 WeakPolarHBondContact CB-O 3.32Å; P22-A30 WeakPolarHBondContact CA-O 3.24Å
23K88.5Confident89.9Confident139 Ų13976.8 Ų76.860%0.60446%0.461SS*.PPolyproline II helixtrans-72.6149.4178.3-148.7170.8-171.9172.90110.4G25 G26K23-G25 PolarHBondContact O-N 3.42Å; K23-G25 VanDerWaalsContact O-N 3.16Å; K23-G26 PolarHBondContact O-N 3.38Å
24A86.8Confident90.1Very high109 Ų10968.3 Ų68.390%0.90143%0.425SS*.THydrogen-bonded Turntrans-58.8120.5175.400000110.7G26A24-G26 VanDerWaalsContact C-N 3.32Å
25G83.6Confident89.8Confident93 Ų9364.3 Ų64.396%0.95940%0.4SS*.THydrogen-bonded Turntrans80.56-175.100000115.2K23K23-G25 PolarHBondContact O-N 3.42Å; K23-G25 VanDerWaalsContact O-N 3.16Å
26G80.2Confident89.4Confident47 Ų4760 Ų6049%0.48538%0.382SS..SBendtrans-89-177.7171.700000113K23 A24K23-G26 PolarHBondContact O-N 3.38Å; A24-G26 VanDerWaalsContact C-N 3.32Å
27E85.8Confident89Confident126 Ų12660.1 Ų60.159%0.58938%0.384SS*.  trans-67.8132.7176.9-161.9175-177.300110.9P22 T29 A30P22-E27 VanDerWaalsContact CB-O 3.29Å; P22-E27 WeakPolarHBondContact CB-O 3.32Å; E27-T29 VanDerWaalsContact CD-OG1 3.32Å; E27-T29 VanDerWaalsContact CG-OG1 3.28Å; E27-T29 WeakPolarHBondContact CG-OG1 3.44Å; E27-T29 PolarHBondContact O-N 2.83Å; E27-T29 PolarHBondContact OE1-OG1 3.08Å; E27-A30 HydrophobicContact CB-CB 4.22Å; E27-A30 WeakPolarHBondContact O-CB 3.25Å; E27-A30 PolarHBondContact O-N 2.8Å
28S87.5Confident88.6Confident99 Ų9955.2 Ų55.269%0.69236%0.358SS*.THydrogen-bonded Turntrans-70.5-20.2-17652.30000113.7A30S28-A30 VanDerWaalsContact C-N 3.34Å
29T89.1Confident88.3Confident67 Ų6755.6 Ų55.641%0.41135%0.354SS..THydrogen-bonded Turntrans-83.1-13.5177.346.70000112.6E27 V31 D44E27-T29 VanDerWaalsContact CD-OG1 3.32Å; E27-T29 VanDerWaalsContact CG-OG1 3.28Å; E27-T29 WeakPolarHBondContact CG-OG1 3.44Å; E27-T29 PolarHBondContact O-N 2.83Å; E27-T29 PolarHBondContact OE1-OG1 3.08Å; T29-V31 PolarHBondContact O-N 2.95Å; T29-D44 VanDerWaalsContact CB-CG 3.47Å; T29-D44 WeakPolarHBondContact CB-OD2 3.47Å; T29-D44 VanDerWaalsContact O-OD1 3.11Å; T29-D44 PolarHBondContact OG1-OD1 3.36Å; T29-D44 PolarHBondContact OG1-OD2 3.15Å
30A91Very high88.1Confident8 Ų855.2 Ų55.27%0.06635%0.353CS..  trans-8066.4-17700000110.9C21 P22 E27 S28 C42 C43 D44C21-A30 WeakPolarHBondContact CB-O 3.24Å; P22-A30 WeakPolarHBondContact CA-O 3.24Å; E27-A30 HydrophobicContact CB-CB 4.22Å; E27-A30 WeakPolarHBondContact O-CB 3.25Å; E27-A30 PolarHBondContact O-N 2.8Å; S28-A30 VanDerWaalsContact C-N 3.34Å; A30-C42 HydrophobicContact CB-CB 3.83Å; A30-C42 WeakPolarHBondContact O-CB 3.33Å; A30-C43 CarbonylContact C-O 3.58Å; A30-C43 WeakPolarHBondContact CA-O 3.17Å; A30-D44 WeakPolarHBondContact CA-OD1 3.4Å; A30-D44 WeakPolarHBondContact CB-OD1 3.32Å; A30-D44 PolarHBondContact N-OD1 3.11Å
31V92Very high87.9Confident58 Ų5856.1 Ų56.135%0.35235%0.347SS..  trans-94-4.1-172.5-60.90000113.3A3 T29 C43A3-V31 WeakPolarHBondContact CA-O 3.47Å; A3-V31 VanDerWaalsContact CB-O 3.22Å; A3-V31 WeakPolarHBondContact CB-O 3.47Å; T29-V31 PolarHBondContact O-N 2.95Å; V31-C43 PolarHBondContact N-O 2.79Å
32F90.6Very high87.8Confident58 Ų5857.2 Ų57.225%0.25435%0.354SS..EExtended strand (participates in β ladder)trans-110145.7-178.5-57.8-70.9000112.3M1 C34 C42 C43 D44 P46M1-F32 HydrophobicContact CB-CD1 4.06Å; M1-F32 HydrophobicContact CB-CE1 4.39Å; F32-C34 PolarHBondContact O-SG 3.41Å; F32-C42 CarbonylContact O-C 3.22Å; F32-C42 VanDerWaalsContact O-CA 3.31Å; F32-C42 WeakPolarHBondContact O-CA 3.48Å; F32-C43 WeakPolarHBondContact CB-O 2.98Å; F32-C43 PolarHBondContact N-O 3.28Å; F32-C43 PolarHBondContact O-N 2.7Å; F32-D44 WeakPolarHBondContact CD2-O 3.41Å; F32-D44 WeakPolarHBondContact CE2-O 3.39Å; F32-P46 HydrophobicContact CD1-CB 3.9Å; F32-P46 HydrophobicContact CD2-CB 4.07Å; F32-P46 HydrophobicContact CE1-CB 3.9Å; F32-P46 HydrophobicContact CE2-CB 4.07Å; F32-P46 HydrophobicContact CE2-CG 4.29Å; F32-P46 HydrophobicContact CG-CB 3.98Å; F32-P46 HydrophobicContact CZ-CB 3.98Å; F32-P46 HydrophobicContact CZ-CG 4.34Å
33C90.9Very high87.7Confident22 Ų2255.1 Ų55.115%0.14934%0.341CS..EExtended strand (participates in β ladder)trans-81.8118.7167.7-169.60000110.7S2 C5S2-C33 WeakPolarHBondContact O-CB 3.49Å; S2-C33 PolarHBondContact O-N 3.31Å; C5-C33 WeakPolarHBondContact CA-SG 3.38Å; C5-C33 HydrophobicContact CB-CB 4.14Å; C5-C33 WeakPolarHBondContact CB-SG 3.28Å; C5-C33 VanDerWaalsContact SG-CA 3.54Å; C5-C33 WeakPolarHBondContact SG-CB 3.25Å; C5-C33 CovalentContact SG-SG 2.03Å; C5-C33 PolarHBondContact SG-SG 3.42Å
34C89.7Confident87.8Confident1 Ų151.9 Ų51.91%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-128.3173.9-172.8-490000111.4F32 K40 Y41 C43 D45F32-C34 PolarHBondContact O-SG 3.41Å; C34-K40 WeakPolarHBondContact O-CA 3.29Å; C34-Y41 HydrophobicContact CB-CD2 4.35Å; C34-Y41 HydrophobicContact CB-CE2 3.99Å; C34-Y41 PolarHBondContact N-O 3.37Å; C34-Y41 PolarHBondContact O-N 3.32Å; C34-C43 HydrophobicContact CB-CB 3.68Å; C34-C43 WeakPolarHBondContact CB-SG 3.32Å; C34-C43 WeakPolarHBondContact SG-CB 3.28Å; C34-C43 CovalentContact SG-SG 2.01Å; C34-C43 PolarHBondContact SG-SG 2.78Å; C34-D45 PolarHBondContact SG-O 2.66Å
35G86.3Confident87.8Confident1 Ų150.5 Ų50.51%0.0131%0.308CS..EExtended strand (participates in β ladder)trans98.8-146.3177.300000113.4L39 S48 F50G35-L39 WeakPolarHBondContact CA-O 3.34Å; G35-S48 PolarHBondContact N-O 2.85Å; G35-F50 PolarHBondContact O-N 3.31Å
36F84.2Confident87.4Confident29 Ų2948.2 Ų48.213%0.12728%0.276CS..EExtended strand (participates in β ladder)trans-114.1166.7-172.1-62-86.4000110.7D38 L39 K40 F50 Y52 Y54 M57F36-D38 VanDerWaalsContact CB-OD1 3.25Å; F36-D38 WeakPolarHBondContact CB-OD1 3.34Å; F36-D38 PolarHBondContact O-N 2.7Å; F36-L39 PolarHBondContact N-O 2.93Å; F36-L39 CarbonylContact O-C 3.52Å; F36-L39 VanDerWaalsContact O-C 3.22Å; F36-L39 PolarHBondContact O-N 2.82Å; F36-L39 VanDerWaalsContact O-N 3.1Å; F36-K40 WeakPolarHBondContact O-CG 3.4Å; F36-F50 WeakPolarHBondContact CA-O 3.28Å; F36-F50 HydrophobicContact CD1-CB 3.75Å; F36-F50 HydrophobicContact CE1-CB 3.6Å; F36-F50 HydrophobicContact CE1-CD2 4.28Å; F36-F50 HydrophobicContact CE1-CG 4.12Å; F36-F50 HydrophobicContact CZ-CB 4.39Å; F36-F50 HydrophobicContact CZ-CD2 4.26Å; F36-Y52 WeakPolarHBondContact CB-O 3.33Å; F36-Y52 VanDerWaalsContact CD1-O 3.27Å; F36-Y52 WeakPolarHBondContact CD1-O 3.41Å; F36-Y54 AromaticContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CE1-CD2 4.45Å; F36-Y54 AromaticContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CE2 4.27Å; F36-Y54 HydrophobicContact CG-CD2 4.44Å; F36-Y54 AromaticContact CZ-CD2 3.89Å; F36-Y54 HydrophobicContact CZ-CD2 3.89Å; F36-M57 HydrophobicContact CE1-SD 3.7Å; F36-M57 HydrophobicContact CZ-SD 4.13Å
37S84.1Confident87.3Confident42 Ų4251.7 Ų51.729%0.29428%0.284SS..THydrogen-bonded Turntrans-60.8-29.6177.952.70000113.1Y8 E53Y8-S37 VanDerWaalsContact CB-O 3.27Å; Y8-S37 WeakPolarHBondContact CB-O 3.28Å; S37-E53 WeakPolarHBondContact OG-CG 3.39Å; S37-E53 PolarHBondContact OG-N 3.49Å
38D85.2Confident86.8Confident6 Ų647.4 Ų47.43%0.03227%0.268CS..THydrogen-bonded Turntrans-97.3-0.1177.864.7-45.8000113.7Y8 S10 R11 F36 E53 Y54Y8-D38 VanDerWaalsContact CE2-C 3.46Å; Y8-D38 VanDerWaalsContact CE2-O 3.27Å; Y8-D38 WeakPolarHBondContact CE2-O 3.43Å; S10-D38 WeakPolarHBondContact CA-O 3.48Å; R11-D38 WeakPolarHBondContact CD-OD2 3.47Å; R11-D38 HydrophobicContact CG-CB 4.35Å; R11-D38 WeakPolarHBondContact CG-OD2 3.34Å; R11-D38 IonicContact CZ-OD2 3.87Å; R11-D38 IonicContact NE-OD2 2.87Å; R11-D38 PolarHBondContact NE-OD2 3.38Å; F36-D38 VanDerWaalsContact CB-OD1 3.25Å; F36-D38 WeakPolarHBondContact CB-OD1 3.34Å; F36-D38 PolarHBondContact O-N 2.7Å; D38-E53 WeakPolarHBondContact OD1-CA 3.2Å; D38-Y54 PolarHBondContact OD1-N 3.34Å
39L86.9Confident86.2Confident70 Ų7047 Ų4737%0.36625%0.254SS..EExtended strand (participates in β ladder)trans-156.786.5180-174.573.9000110.5G35 F36G35-L39 WeakPolarHBondContact CA-O 3.34Å; F36-L39 PolarHBondContact N-O 2.93Å; F36-L39 CarbonylContact O-C 3.52Å; F36-L39 VanDerWaalsContact O-C 3.22Å; F36-L39 PolarHBondContact O-N 2.82Å; F36-L39 VanDerWaalsContact O-N 3.1Å
40K89.5Confident85.5Confident28 Ų2848.8 Ų48.812%0.12226%0.256CS..EExtended strand (participates in β ladder)trans-93.8137.2177.8-56.2178.8-167166.10110.7C5 E6 S7 Y8 F19 C34 F36C5-K40 HydrophobicContact CB-CB 4.31Å; C5-K40 HydrophobicContact CB-CD 4.26Å; E6-K40 WeakPolarHBondContact O-CD 3.43Å; E6-K40 PolarHBondContact O-NZ 2.83Å; S7-K40 PolarHBondContact O-NZ 3.24Å; S7-K40 VanDerWaalsContact O-NZ 3.17Å; Y8-K40 HydrophobicContact CD1-CB 4.1Å; Y8-K40 HydrophobicContact CD1-CD 3.64Å; Y8-K40 HydrophobicContact CD1-CG 3.85Å; Y8-K40 HydrophobicContact CE1-CB 3.7Å; Y8-K40 HydrophobicContact CE1-CD 4.15Å; Y8-K40 HydrophobicContact CE1-CG 3.96Å; Y8-K40 HydrophobicContact CG-CD 4.19Å; Y8-K40 HydrophobicContact CG-CG 4.28Å; Y8-K40 PolarHBondContact OH-N 3.3Å; Y8-K40 PolarHBondContact OH-O 3.15Å; F19-K40 HydrophobicContact CE1-CB 4.44Å; F19-K40 HydrophobicContact CZ-CB 4.19Å; C34-K40 WeakPolarHBondContact O-CA 3.29Å; F36-K40 WeakPolarHBondContact O-CG 3.4Å
41Y88.3Confident84.4Confident105 Ų10552.5 Ų52.541%0.41228%0.279SS..EExtended strand (participates in β ladder)trans-146.5160.9176.660.9-87.8000111.4C34 C43C34-Y41 HydrophobicContact CB-CD2 4.35Å; C34-Y41 HydrophobicContact CB-CE2 3.99Å; C34-Y41 PolarHBondContact N-O 3.37Å; C34-Y41 PolarHBondContact O-N 3.32Å; Y41-C43 HydrophobicContact CD2-CB 4.16Å; Y41-C43 HydrophobicContact CE2-CB 3.84Å
42C91.8Very high83.3Confident32 Ų3257.3 Ų57.322%0.21629%0.292CS..EExtended strand (participates in β ladder)trans-80.4133.6176-59.90000110.4C21 A30 F32C21-C42 WeakPolarHBondContact CA-SG 3.4Å; C21-C42 HydrophobicContact CB-CB 3.78Å; C21-C42 WeakPolarHBondContact CB-SG 3.28Å; C21-C42 WeakPolarHBondContact SG-CA 3.28Å; C21-C42 WeakPolarHBondContact SG-CB 3.29Å; C21-C42 CovalentContact SG-SG 2.04Å; C21-C42 PolarHBondContact SG-SG 2.82Å; A30-C42 HydrophobicContact CB-CB 3.83Å; A30-C42 WeakPolarHBondContact O-CB 3.33Å; F32-C42 CarbonylContact O-C 3.22Å; F32-C42 VanDerWaalsContact O-CA 3.31Å; F32-C42 WeakPolarHBondContact O-CA 3.48Å
43C90.9Very high82.1Confident17 Ų1758.8 Ų58.812%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-145169.6174.691.10000112.6A30 V31 F32 C34 Y41 D45A30-C43 CarbonylContact C-O 3.58Å; A30-C43 WeakPolarHBondContact CA-O 3.17Å; V31-C43 PolarHBondContact N-O 2.79Å; F32-C43 WeakPolarHBondContact CB-O 2.98Å; F32-C43 PolarHBondContact N-O 3.28Å; F32-C43 PolarHBondContact O-N 2.7Å; C34-C43 HydrophobicContact CB-CB 3.68Å; C34-C43 WeakPolarHBondContact CB-SG 3.32Å; C34-C43 WeakPolarHBondContact SG-CB 3.28Å; C34-C43 CovalentContact SG-SG 2.01Å; C34-C43 PolarHBondContact SG-SG 2.78Å; Y41-C43 HydrophobicContact CD2-CB 4.16Å; Y41-C43 HydrophobicContact CE2-CB 3.84Å; C43-D45 PolarHBondContact SG-O 2.89Å
44D90.3Very high81Confident71 Ų7162.3 Ų62.338%0.3831%0.311SS..SBendtrans-89.9-16.8-175.1-61.17000112.5T29 A30 F32T29-D44 VanDerWaalsContact CB-CG 3.47Å; T29-D44 WeakPolarHBondContact CB-OD2 3.47Å; T29-D44 VanDerWaalsContact O-OD1 3.11Å; T29-D44 PolarHBondContact OG1-OD1 3.36Å; T29-D44 PolarHBondContact OG1-OD2 3.15Å; A30-D44 WeakPolarHBondContact CA-OD1 3.4Å; A30-D44 WeakPolarHBondContact CB-OD1 3.32Å; A30-D44 PolarHBondContact N-OD1 3.11Å; F32-D44 WeakPolarHBondContact CD2-O 3.41Å; F32-D44 WeakPolarHBondContact CE2-O 3.39Å
45D85.7Confident79.9Confident80 Ų8063.5 Ų63.543%0.42832%0.323SS..  trans-103.5115.9-176.5-168-41000111.4C34 C43 N47 S48C34-D45 PolarHBondContact SG-O 2.66Å; C43-D45 PolarHBondContact SG-O 2.89Å; D45-N47 PolarHBondContact O-N 2.86Å; D45-N47 VanDerWaalsContact O-N 3.16Å; D45-N47 WeakPolarHBondContact OD1-CB 3.36Å; D45-N47 PolarHBondContact OD1-N 3.27Å; D45-S48 PolarHBondContact O-N 2.91Å
46P76.6Confident79Confident46 Ų4670.4 Ų70.430%0.29935%0.35SS..THydrogen-bonded Turntrans-70.3-11.6-176.333.5-39.2000113.9M1 F32M1-P46 HydrophobicContact CB-CB 4.42Å; M1-P46 HydrophobicContact CE-CB 3.76Å; M1-P46 HydrophobicContact CE-CG 4.4Å; M1-P46 WeakPolarHBondContact CE-O 3.45Å; M1-P46 HydrophobicContact CG-CB 3.75Å; M1-P46 WeakPolarHBondContact CG-O 3.29Å; M1-P46 HydrophobicContact SD-CB 4Å; F32-P46 HydrophobicContact CD1-CB 3.9Å; F32-P46 HydrophobicContact CD2-CB 4.07Å; F32-P46 HydrophobicContact CE1-CB 3.9Å; F32-P46 HydrophobicContact CE2-CB 4.07Å; F32-P46 HydrophobicContact CE2-CG 4.29Å; F32-P46 HydrophobicContact CG-CB 3.98Å; F32-P46 HydrophobicContact CZ-CB 3.98Å; F32-P46 HydrophobicContact CZ-CG 4.34Å
47N77.4Confident78.4Confident119 Ų11974.2 Ų74.264%0.63637%0.369SS*.THydrogen-bonded Turntrans-94.6-2.3-179.6-72.1-17.2000114.3M1 D45 F49M1-N47 WeakPolarHBondContact CE-OD1 3.41Å; D45-N47 PolarHBondContact O-N 2.86Å; D45-N47 VanDerWaalsContact O-N 3.16Å; D45-N47 WeakPolarHBondContact OD1-CB 3.36Å; D45-N47 PolarHBondContact OD1-N 3.27Å; N47-F49 PolarHBondContact O-N 3.21Å
48S74.8Confident77.8Confident37 Ų3779.8 Ų79.826%0.25938%0.384SS..  trans-84.724.4-178.7-73.60000114.3G35 D45G35-S48 PolarHBondContact N-O 2.85Å; D45-S48 PolarHBondContact O-N 2.91Å
49F75.1Confident77.4Confident91 Ų9188.1 Ų88.140%0.39942%0.415SS..EExtended strand (participates in β ladder)trans-100.3119.3174.7-174.8-102000111.1N47 P51N47-F49 PolarHBondContact O-N 3.21Å; F49-P51 HydrophobicContact CE1-CB 4.01Å
50F74.4Confident77.1Confident104 Ų10491 Ų9146%0.45643%0.43SS..EExtended strand (participates in β ladder)trans-114.8110.8178.6-64.3-83.1000109G35 F36 Y52G35-F50 PolarHBondContact O-N 3.31Å; F36-F50 WeakPolarHBondContact CA-O 3.28Å; F36-F50 HydrophobicContact CD1-CB 3.75Å; F36-F50 HydrophobicContact CE1-CB 3.6Å; F36-F50 HydrophobicContact CE1-CD2 4.28Å; F36-F50 HydrophobicContact CE1-CG 4.12Å; F36-F50 HydrophobicContact CZ-CB 4.39Å; F36-F50 HydrophobicContact CZ-CD2 4.26Å; F50-Y52 PolarHBondContact O-N 3.5Å
51P67.8Low76.8Confident85 Ų8593.4 Ų93.455%0.55245%0.451SS*.  trans-76.137.2-175.833.4-37.6000113.4F49F49-P51 HydrophobicContact CE1-CB 4.01Å
52Y69.6Low76.8Confident159 Ų15991.7 Ų91.762%0.62445%0.449SS*.SBendtrans-121.9148.2179-62.9-72000109.3F36 F50 Y54F36-Y52 WeakPolarHBondContact CB-O 3.33Å; F36-Y52 VanDerWaalsContact CD1-O 3.27Å; F36-Y52 WeakPolarHBondContact CD1-O 3.41Å; F50-Y52 PolarHBondContact O-N 3.5Å; Y52-Y54 PolarHBondContact O-N 3.29Å
53E65.3Low76.6Confident90 Ų9092.2 Ų92.242%0.42146%0.459SS..  trans-71.1132168.7-49.8-168.613100108.4S37 D38 G55 Y56S37-E53 WeakPolarHBondContact OG-CG 3.39Å; S37-E53 PolarHBondContact OG-N 3.49Å; D38-E53 WeakPolarHBondContact OD1-CA 3.2Å; E53-G55 PolarHBondContact O-N 3.36Å; E53-G55 VanDerWaalsContact O-N 3.12Å; E53-Y56 HydrophobicContact CB-CD2 3.66Å; E53-Y56 HydrophobicContact CB-CE2 3.93Å; E53-Y56 HydrophobicContact CG-CD2 4.1Å; E53-Y56 HydrophobicContact CG-CE2 3.9Å; E53-Y56 PolarHBondContact O-N 2.82Å; E53-Y56 VanDerWaalsContact OE2-CE2 3.24Å; E53-Y56 WeakPolarHBondContact OE2-CE2 3.31Å
54Y67.1Low76.6Confident96 Ų9694 Ų9438%0.37648%0.475SS..Hα-helixtrans-58.9-27.8176.7-176.4-76.9000111.9R11 F36 D38 Y52 Y56 M57 W58R11-Y54 VanDerWaalsContact CZ-CE1 3.44Å; F36-Y54 AromaticContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CE1-CD2 4.45Å; F36-Y54 AromaticContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CE2 4.27Å; F36-Y54 HydrophobicContact CG-CD2 4.44Å; F36-Y54 AromaticContact CZ-CD2 3.89Å; F36-Y54 HydrophobicContact CZ-CD2 3.89Å; D38-Y54 PolarHBondContact OD1-N 3.34Å; Y52-Y54 PolarHBondContact O-N 3.29Å; Y54-Y56 PolarHBondContact O-N 2.89Å; Y54-M57 PolarHBondContact O-N 3.43Å; Y54-M57 VanDerWaalsContact O-N 3.07Å; Y54-W58 PolarHBondContact O-N 2.86Å
55G66.8Low76.8Confident26 Ų2696.6 Ų96.627%0.26849%0.488SS..Hα-helixtrans-52-37.2173.400000113.4E53 W58 W59E53-G55 PolarHBondContact O-N 3.36Å; E53-G55 VanDerWaalsContact O-N 3.12Å; G55-W58 PolarHBondContact O-N 3.23Å; G55-W59 PolarHBondContact O-N 3.44Å; G55-W59 VanDerWaalsContact O-N 3.15Å
56Y67.4Low77.2Confident146 Ų14697.1 Ų97.157%0.57349%0.494SS*.Hα-helixtrans-70.4-33.8178.4-69.7-71.6000113E53 Y54 W58 W59 L60E53-Y56 HydrophobicContact CB-CD2 3.66Å; E53-Y56 HydrophobicContact CB-CE2 3.93Å; E53-Y56 HydrophobicContact CG-CD2 4.1Å; E53-Y56 HydrophobicContact CG-CE2 3.9Å; E53-Y56 PolarHBondContact O-N 2.82Å; E53-Y56 VanDerWaalsContact OE2-CE2 3.24Å; E53-Y56 WeakPolarHBondContact OE2-CE2 3.31Å; Y54-Y56 PolarHBondContact O-N 2.89Å; Y56-W58 VanDerWaalsContact C-N 3.34Å; Y56-W59 PolarHBondContact O-N 3.26Å; Y56-L60 VanDerWaalsContact O-CG 3.32Å; Y56-L60 WeakPolarHBondContact O-CG 3.45Å; Y56-L60 PolarHBondContact O-N 2.92Å
57M72.3Confident78.1Confident108 Ų10896.9 Ų96.953%0.53250%0.5SS..Hα-helixtrans-66.7-37.3175.8-74.117575.500111.9F36 Y54 S61F36-M57 HydrophobicContact CE1-SD 3.7Å; F36-M57 HydrophobicContact CZ-SD 4.13Å; Y54-M57 PolarHBondContact O-N 3.43Å; Y54-M57 VanDerWaalsContact O-N 3.07Å; M57-S61 PolarHBondContact O-N 3.42Å
58W71.4Confident79Confident160 Ų16097.3 Ų97.361%0.60650%0.502SS*.Hα-helixtrans-67.1-42.8175.4-173.856.6000112Y54 G55 Y56 L60 S61 L62Y54-W58 PolarHBondContact O-N 2.86Å; G55-W58 PolarHBondContact O-N 3.23Å; Y56-W58 VanDerWaalsContact C-N 3.34Å; W58-L60 PolarHBondContact O-N 3.42Å; W58-S61 PolarHBondContact O-N 2.88Å; W58-L62 HydrophobicContact CD2-CD1 3.79Å; W58-L62 HydrophobicContact CG-CD1 3.94Å; W58-L62 HydrophobicContact CZ2-CD1 3.82Å; W58-L62 HydrophobicContact CZ2-CD2 4.39Å; W58-L62 VanDerWaalsContact O-CD1 3.28Å; W58-L62 WeakPolarHBondContact O-CD1 3.41Å; W58-L62 PolarHBondContact O-N 3.31Å
59W76.8Confident80Confident180 Ų18098.7 Ų98.768%0.68251%0.512SS*.Hα-helixtrans-61.5-40.8175.6-93.5100.7000113.4G55 Y56 S61 L62 G63G55-W59 PolarHBondContact O-N 3.44Å; G55-W59 VanDerWaalsContact O-N 3.15Å; Y56-W59 PolarHBondContact O-N 3.26Å; W59-S61 VanDerWaalsContact C-N 3.34Å; W59-L62 PolarHBondContact O-N 2.94Å; W59-G63 PolarHBondContact O-N 2.93Å
60L79.2Confident81.1Confident131 Ų13198.5 Ų98.569%0.68652%0.517SS*.Hα-helixtrans-63.1-41.1175.9-73.5170.5000111.8Y56 W58 G63 A64Y56-L60 VanDerWaalsContact O-CG 3.32Å; Y56-L60 WeakPolarHBondContact O-CG 3.45Å; Y56-L60 PolarHBondContact O-N 2.92Å; W58-L60 PolarHBondContact O-N 3.42Å; L60-G63 PolarHBondContact O-N 2.93Å; L60-A64 WeakPolarHBondContact O-CB 3.32Å; L60-A64 PolarHBondContact O-N 3.33Å
61S83.1Confident82.2Confident79 Ų7995.8 Ų95.855%0.55252%0.515SS*.Hα-helixtrans-66.1-44.4177.3-173.50000112.2M57 W58 W59 A64 L65M57-S61 PolarHBondContact O-N 3.42Å; W58-S61 PolarHBondContact O-N 2.88Å; W59-S61 VanDerWaalsContact C-N 3.34Å; S61-A64 PolarHBondContact O-N 3.23Å; S61-L65 WeakPolarHBondContact O-CB 3.09Å; S61-L65 PolarHBondContact O-N 3.44Å
62L88.2Confident83.6Confident69 Ų6994.4 Ų94.436%0.36151%0.51SS..Hα-helixtrans-62.3-44.3173.9-94.787.5000111.9W58 W59 A64 L65 V66W58-L62 HydrophobicContact CD2-CD1 3.79Å; W58-L62 HydrophobicContact CG-CD1 3.94Å; W58-L62 HydrophobicContact CZ2-CD1 3.82Å; W58-L62 HydrophobicContact CZ2-CD2 4.39Å; W58-L62 VanDerWaalsContact O-CD1 3.28Å; W58-L62 WeakPolarHBondContact O-CD1 3.41Å; W58-L62 PolarHBondContact O-N 3.31Å; W59-L62 PolarHBondContact O-N 2.94Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.49Å; L62-L65 PolarHBondContact O-N 3.47Å; L62-V66 WeakPolarHBondContact O-CB 3.27Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.39Å; L62-V66 PolarHBondContact O-N 3.36Å
63G88.5Confident85Confident43 Ų4391.2 Ų91.244%0.44351%0.507SS..Hα-helixtrans-59.8-44.5178.500000112.1W59 L60 G67W59-G63 PolarHBondContact O-N 2.93Å; L60-G63 PolarHBondContact O-N 2.93Å; G63-G67 PolarHBondContact O-N 3.38Å
64A91.9Very high86.6Confident54 Ų5491.3 Ų91.345%0.44651%0.513SS..Hα-helixtrans-64.7-45176.500000112.3L60 S61 L62 V66 G67 L68L60-A64 WeakPolarHBondContact O-CB 3.32Å; L60-A64 PolarHBondContact O-N 3.33Å; S61-A64 PolarHBondContact O-N 3.23Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.49Å; A64-V66 PolarHBondContact O-N 2.91Å; A64-G67 PolarHBondContact O-N 3.24Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 2.98Å; A64-L68 PolarHBondContact O-N 2.88Å
65L92.6Very high88Confident125 Ų12592.1 Ų92.165%0.65452%0.524SS*.Hα-helixtrans-60.1-46.4178.4-177.268.9000111.6S61 L62 S69S61-L65 WeakPolarHBondContact O-CB 3.09Å; S61-L65 PolarHBondContact O-N 3.44Å; L62-L65 PolarHBondContact O-N 3.47Å; L65-S69 WeakPolarHBondContact O-CB 3.12Å; L65-S69 PolarHBondContact O-N 2.96Å
66V95.6Very high89.5Confident91 Ų9195.9 Ų95.955%0.55254%0.537SS*.Hα-helixtrans-66-45.8177.9174.70000110.6L62 A64 S69 V70L62-V66 WeakPolarHBondContact O-CB 3.27Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.39Å; L62-V66 PolarHBondContact O-N 3.36Å; A64-V66 PolarHBondContact O-N 2.91Å; V66-S69 PolarHBondContact O-N 3.02Å; V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.02Å
67G94.9Very high91Very high41 Ų4191.3 Ų91.342%0.42353%0.529SS..Hα-helixtrans-61.6-47.6179.800000113.1G63 A64 S69 V70 A71G63-G67 PolarHBondContact O-N 3.38Å; A64-G67 PolarHBondContact O-N 3.24Å; G67-S69 VanDerWaalsContact C-N 3.34Å; G67-S69 PolarHBondContact O-N 2.73Å; G67-V70 PolarHBondContact O-N 3.33Å; G67-A71 WeakPolarHBondContact O-CB 3.41Å; G67-A71 PolarHBondContact O-N 3.5Å
68L95.8Very high92.2Very high129 Ų12992.1 Ų92.168%0.67553%0.53SS*.Hα-helixtrans-64.5-39.1176.9-70.2175.1000111.8A64 A71 A72A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 2.98Å; A64-L68 PolarHBondContact O-N 2.88Å; L68-A71 PolarHBondContact O-N 3.24Å; L68-A72 VanDerWaalsContact O-CB 3.28Å; L68-A72 WeakPolarHBondContact O-CB 3.35Å; L68-A72 PolarHBondContact O-N 3.43Å
69S97.1Very high93.4Very high66 Ų6688.1 Ų88.146%0.46252%0.523SS..Hα-helixtrans-60.9-49.8175.81800000111.7L65 V66 G67 A71 A72 V73L65-S69 WeakPolarHBondContact O-CB 3.12Å; L65-S69 PolarHBondContact O-N 2.96Å; V66-S69 PolarHBondContact O-N 3.02Å; G67-S69 VanDerWaalsContact C-N 3.34Å; G67-S69 PolarHBondContact O-N 2.73Å; S69-A71 PolarHBondContact O-N 2.88Å; S69-A72 PolarHBondContact O-N 3.45Å; S69-V73 WeakPolarHBondContact O-CG2 3.03Å; S69-V73 PolarHBondContact O-N 3.42Å
70V97.9Very high94.4Very high86 Ų8683.9 Ų83.952%0.52151%0.513SS..Hα-helixtrans-61.6-45.4178.2173.80000110.9V66 G67 A72 V73 V74V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.02Å; G67-V70 PolarHBondContact O-N 3.33Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.45Å; V70-V73 PolarHBondContact O-N 2.97Å; V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 VanDerWaalsContact O-CG2 3.29Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 3.42Å
71A97.4Very high95.2Very high48 Ų4881.3 Ų81.340%0.39750%0.503SS..Hα-helixtrans-59-44.8176.600000111.8G67 L68 S69 V74 L75G67-A71 WeakPolarHBondContact O-CB 3.41Å; G67-A71 PolarHBondContact O-N 3.5Å; L68-A71 PolarHBondContact O-N 3.24Å; S69-A71 PolarHBondContact O-N 2.88Å; A71-V74 PolarHBondContact O-N 2.99Å; A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 2.99Å; A71-L75 PolarHBondContact O-N 3.43Å
72A97.8Very high95.8Very high56 Ų5681.2 Ų81.246%0.46350%0.496SS..Hα-helixtrans-62.7-44.3178.100000112.2L68 S69 V70 L75 L76L68-A72 VanDerWaalsContact O-CB 3.28Å; L68-A72 WeakPolarHBondContact O-CB 3.35Å; L68-A72 PolarHBondContact O-N 3.43Å; S69-A72 PolarHBondContact O-N 3.45Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.45Å; A72-L75 PolarHBondContact O-N 2.97Å; A72-L76 VanDerWaalsContact O-CB 3.28Å; A72-L76 WeakPolarHBondContact O-CB 3.04Å; A72-L76 PolarHBondContact O-N 2.96Å
73V98.1Very high96.1Very high91 Ų9181.5 Ų81.555%0.55250%0.503SS*.Hα-helixtrans-64-43.2178.2171.90000111.3S69 V70 L76 A77S69-V73 WeakPolarHBondContact O-CG2 3.03Å; S69-V73 PolarHBondContact O-N 3.42Å; V70-V73 PolarHBondContact O-N 2.97Å; V73-L76 PolarHBondContact O-N 2.88Å; V73-A77 WeakPolarHBondContact O-CB 3.43Å; V73-A77 PolarHBondContact O-N 3.46Å
74V98.3Very high96.4Very high92 Ų9283 Ų8356%0.55850%0.503SS*.Hα-helixtrans-64.1-45.1178171.60000111.2V70 A71 A77 F78V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 VanDerWaalsContact O-CG2 3.29Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 3.42Å; A71-V74 PolarHBondContact O-N 2.99Å; V74-A77 PolarHBondContact O-N 2.96Å; V74-F78 PolarHBondContact O-N 3.33Å
75L97.9Very high96.3Very high114 Ų11485.2 Ų85.260%0.59751%0.507SS*.Hα-helixtrans-61.7-44.8175.8-73.5173.8000111.5A71 A72 A77 F78 V79A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 2.99Å; A71-L75 PolarHBondContact O-N 3.43Å; A72-L75 PolarHBondContact O-N 2.97Å; L75-A77 PolarHBondContact O-N 3.21Å; L75-F78 PolarHBondContact O-N 3.35Å; L75-V79 WeakPolarHBondContact O-CG2 3.39Å; L75-V79 PolarHBondContact O-N 3.19Å
76L97.4Very high96.1Very high104 Ų10483 Ų8355%0.54550%0.501SS..Hα-helixtrans-60.8-44.6177.4-179.361.3000111.4A72 V73 F78 V79 I80A72-L76 VanDerWaalsContact O-CB 3.28Å; A72-L76 WeakPolarHBondContact O-CB 3.04Å; A72-L76 PolarHBondContact O-N 2.96Å; V73-L76 PolarHBondContact O-N 2.88Å; L76-F78 VanDerWaalsContact C-N 3.32Å; L76-F78 PolarHBondContact O-N 3.47Å; L76-V79 PolarHBondContact O-N 2.96Å; L76-I80 HydrophobicContact CD1-CD1 4Å; L76-I80 HydrophobicContact CD1-CG1 4.21Å; L76-I80 HydrophobicContact CG-CD1 3.82Å; L76-I80 HydrophobicContact CG-CG1 4.44Å; L76-I80 WeakPolarHBondContact O-CB 3.49Å; L76-I80 VanDerWaalsContact O-CG1 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 2.87Å
77A97.9Very high96Very high50 Ų5086.3 Ų86.341%0.41351%0.505SS..Hα-helixtrans-60.3-41.5176.500000112.1V73 V74 L75 T81V73-A77 WeakPolarHBondContact O-CB 3.43Å; V73-A77 PolarHBondContact O-N 3.46Å; V74-A77 PolarHBondContact O-N 2.96Å; L75-A77 PolarHBondContact O-N 3.21Å; A77-T81 WeakPolarHBondContact O-CB 3.38Å; A77-T81 PolarHBondContact O-N 3.4Å; A77-T81 PolarHBondContact O-OG1 2.65Å
78F97.9Very high95.6Very high126 Ų12688.1 Ų88.155%0.55350%0.504SS*.Hα-helixtrans-64.1-46.9176.1-178.7-105.1000112.1V74 L75 L76 I80 T81 L82V74-F78 PolarHBondContact O-N 3.33Å; L75-F78 PolarHBondContact O-N 3.35Å; L76-F78 VanDerWaalsContact C-N 3.32Å; L76-F78 PolarHBondContact O-N 3.47Å; F78-I80 PolarHBondContact O-N 3.15Å; F78-T81 WeakPolarHBondContact O-CB 3.34Å; F78-T81 PolarHBondContact O-N 3.46Å; F78-L82 HydrophobicContact CD1-CD1 3.91Å; F78-L82 HydrophobicContact CD1-CG 4.41Å; F78-L82 HydrophobicContact CE1-CD1 3.33Å; F78-L82 HydrophobicContact CE1-CG 4.04Å; F78-L82 HydrophobicContact CE2-CD1 4.49Å; F78-L82 HydrophobicContact CE2-CG 4.42Å; F78-L82 HydrophobicContact CZ-CD1 3.67Å; F78-L82 HydrophobicContact CZ-CD2 4.25Å; F78-L82 HydrophobicContact CZ-CG 4.04Å; F78-L82 WeakPolarHBondContact O-CG 3.36Å; F78-L82 PolarHBondContact O-N 3.26Å
79V97.7Very high95Very high75 Ų7589 Ų8946%0.45550%0.503SS..Hα-helixtrans-60.4-46.6177172.50000110.9L75 L76 T81 L82 C83L75-V79 WeakPolarHBondContact O-CG2 3.39Å; L75-V79 PolarHBondContact O-N 3.19Å; L76-V79 PolarHBondContact O-N 2.96Å; V79-T81 VanDerWaalsContact C-N 3.32Å; V79-T81 PolarHBondContact O-N 2.98Å; V79-L82 PolarHBondContact O-N 3.42Å; V79-C83 WeakPolarHBondContact O-CB 3.25Å; V79-C83 PolarHBondContact O-N 3.44Å; V79-C83 PolarHBondContact O-SG 3.18Å
80I97.2Very high94.3Very high92 Ų9291.1 Ų91.147%0.47251%0.513SS..Hα-helixtrans-58.9-45.8176.4-68.9167.8000110.4L76 F78 L82 C83 V84L76-I80 HydrophobicContact CD1-CD1 4Å; L76-I80 HydrophobicContact CD1-CG1 4.21Å; L76-I80 HydrophobicContact CG-CD1 3.82Å; L76-I80 HydrophobicContact CG-CG1 4.44Å; L76-I80 WeakPolarHBondContact O-CB 3.49Å; L76-I80 VanDerWaalsContact O-CG1 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 2.87Å; F78-I80 PolarHBondContact O-N 3.15Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 3.29Å; I80-C83 PolarHBondContact O-N 3.45Å; I80-V84 HydrophobicContact CG2-CG2 4.3Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å; I80-V84 PolarHBondContact O-N 2.9Å
81T95.7Very high93.3Very high77 Ų7790.6 Ų90.647%0.47251%0.51SS..Hα-helixtrans-59.1-46.6178.6-57.20000111A77 F78 V79 V84 L85A77-T81 WeakPolarHBondContact O-CB 3.38Å; A77-T81 PolarHBondContact O-N 3.4Å; A77-T81 PolarHBondContact O-OG1 2.65Å; F78-T81 WeakPolarHBondContact O-CB 3.34Å; F78-T81 PolarHBondContact O-N 3.46Å; V79-T81 VanDerWaalsContact C-N 3.32Å; V79-T81 PolarHBondContact O-N 2.98Å; T81-V84 PolarHBondContact O-N 3.01Å; T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 WeakPolarHBondContact O-CB 3.44Å; T81-L85 VanDerWaalsContact O-CG 3.25Å; T81-L85 WeakPolarHBondContact O-CG 3.04Å; T81-L85 PolarHBondContact O-N 3.16Å
82L96.2Very high91.9Very high76 Ų7692.2 Ų92.240%0.39852%0.515SS..Hα-helixtrans-61.5-44.7174.9-71.4-178.6000112.2F78 V79 I80 V84 L85 C86F78-L82 HydrophobicContact CD1-CD1 3.91Å; F78-L82 HydrophobicContact CD1-CG 4.41Å; F78-L82 HydrophobicContact CE1-CD1 3.33Å; F78-L82 HydrophobicContact CE1-CG 4.04Å; F78-L82 HydrophobicContact CE2-CD1 4.49Å; F78-L82 HydrophobicContact CE2-CG 4.42Å; F78-L82 HydrophobicContact CZ-CD1 3.67Å; F78-L82 HydrophobicContact CZ-CD2 4.25Å; F78-L82 HydrophobicContact CZ-CG 4.04Å; F78-L82 WeakPolarHBondContact O-CG 3.36Å; F78-L82 PolarHBondContact O-N 3.26Å; V79-L82 PolarHBondContact O-N 3.42Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 3.29Å; L82-V84 VanDerWaalsContact C-N 3.33Å; L82-V84 PolarHBondContact O-N 2.82Å; L82-L85 PolarHBondContact O-N 3.38Å; L82-C86 VanDerWaalsContact O-CB 3.3Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.19Å; L82-C86 PolarHBondContact O-SG 2.87Å
83C94.1Very high89.8Confident76 Ų7697.5 Ų97.551%0.51453%0.528SS..Hα-helixtrans-59.4-44.4177.4-72.20000111.6V79 I80 C86 Y87V79-C83 WeakPolarHBondContact O-CB 3.25Å; V79-C83 PolarHBondContact O-N 3.44Å; V79-C83 PolarHBondContact O-SG 3.18Å; I80-C83 PolarHBondContact O-N 3.45Å; C83-C86 PolarHBondContact O-N 3.33Å; C83-Y87 WeakPolarHBondContact O-CB 2.95Å; C83-Y87 PolarHBondContact O-N 3.21Å
84V95.1Very high87.8Confident73 Ų7396.9 Ų96.944%0.44253%0.525SS..Hα-helixtrans-65.2-45.1177172.80000110.6I80 T81 L82 C86 Y87 L88I80-V84 HydrophobicContact CG2-CG2 4.3Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å; I80-V84 PolarHBondContact O-N 2.9Å; T81-V84 PolarHBondContact O-N 3.01Å; L82-V84 VanDerWaalsContact C-N 3.33Å; L82-V84 PolarHBondContact O-N 2.82Å; V84-C86 PolarHBondContact O-N 3.24Å; V84-Y87 PolarHBondContact O-N 2.87Å; V84-L88 HydrophobicContact CG1-CD1 3.88Å; V84-L88 HydrophobicContact CG1-CG 4.23Å; V84-L88 WeakPolarHBondContact O-CB 3.22Å; V84-L88 VanDerWaalsContact O-CG 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 3.03Å
85L90.7Very high85.7Confident102 Ų102104.4 Ų104.453%0.53454%0.544SS..Hα-helixtrans-62.2-44.1177.3-71.5174.6000112T81 L82 F89T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 WeakPolarHBondContact O-CB 3.44Å; T81-L85 VanDerWaalsContact O-CG 3.25Å; T81-L85 WeakPolarHBondContact O-CG 3.04Å; T81-L85 PolarHBondContact O-N 3.16Å; L82-L85 PolarHBondContact O-N 3.38Å; L85-F89 VanDerWaalsContact O-CB 3.29Å; L85-F89 WeakPolarHBondContact O-CB 3.36Å; L85-F89 PolarHBondContact O-N 2.82Å
86C88.1Confident83.7Confident79 Ų79100.8 Ų100.853%0.53453%0.534SS..Hα-helixtrans-64.6-43.8175.7-71.40000111.6L82 C83 V84 F89 V90L82-C86 VanDerWaalsContact O-CB 3.3Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.19Å; L82-C86 PolarHBondContact O-SG 2.87Å; C83-C86 PolarHBondContact O-N 3.33Å; V84-C86 PolarHBondContact O-N 3.24Å; C86-F89 PolarHBondContact O-N 3.12Å; C86-V90 WeakPolarHBondContact O-CB 3.27Å; C86-V90 VanDerWaalsContact O-CG2 3.25Å; C86-V90 WeakPolarHBondContact O-CG2 3.42Å; C86-V90 PolarHBondContact O-N 3.07Å
87Y92.4Very high81.4Confident159 Ų159103.3 Ų103.362%0.62455%0.548SS*.Hα-helixtrans-62.8-47.1177.3177-98.2000111.2C83 V84 V90 T91C83-Y87 WeakPolarHBondContact O-CB 2.95Å; C83-Y87 PolarHBondContact O-N 3.21Å; V84-Y87 PolarHBondContact O-N 2.87Å; Y87-V90 PolarHBondContact O-N 3.09Å; Y87-T91 HydrophobicContact CD1-CG2 4.22Å; Y87-T91 HydrophobicContact CD2-CG2 4.01Å; Y87-T91 HydrophobicContact CE1-CG2 3.82Å; Y87-T91 HydrophobicContact CE2-CG2 3.59Å; Y87-T91 HydrophobicContact CG-CG2 4.31Å; Y87-T91 VanDerWaalsContact CZ-CG2 3.5Å; Y87-T91 WeakPolarHBondContact O-CB 3.24Å; Y87-T91 VanDerWaalsContact O-CG2 3.31Å; Y87-T91 WeakPolarHBondContact O-CG2 3.45Å; Y87-T91 PolarHBondContact O-N 2.81Å; Y87-T91 PolarHBondContact O-OG1 3.48Å
88L86.9Confident79.1Confident79 Ų79107.9 Ų107.941%0.41457%0.565SS.*Hα-helixtrans-59.7-48.1173.8-71.2176.3000109.6V84 V90 T91 T92V84-L88 HydrophobicContact CG1-CD1 3.88Å; V84-L88 HydrophobicContact CG1-CG 4.23Å; V84-L88 WeakPolarHBondContact O-CB 3.22Å; V84-L88 VanDerWaalsContact O-CG 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 3.03Å; L88-V90 VanDerWaalsContact C-N 3.28Å; L88-V90 PolarHBondContact O-N 2.93Å; L88-T91 WeakPolarHBondContact CA-OG1 3.46Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-T91 VanDerWaalsContact O-N 3.15Å; L88-T91 PolarHBondContact O-OG1 2.96Å; L88-T92 HydrophobicContact CB-CG2 4.3Å; L88-T92 HydrophobicContact CD2-CG2 4.06Å; L88-T92 WeakPolarHBondContact O-CA 3.32Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 VanDerWaalsContact O-CG2 3.28Å; L88-T92 WeakPolarHBondContact O-CG2 3.34Å; L88-T92 PolarHBondContact O-N 2.86Å; L88-T92 PolarHBondContact O-OG1 3.38Å
89F82.9Confident76.8Confident149 Ų149107.1 Ų107.165%0.65458%0.575SS**Hα-helixtrans-58.1-39.8179-172.6-101.1000113.4L85 C86 K93L85-F89 VanDerWaalsContact O-CB 3.29Å; L85-F89 WeakPolarHBondContact O-CB 3.36Å; L85-F89 PolarHBondContact O-N 2.82Å; C86-F89 PolarHBondContact O-N 3.12Å; F89-K93 PolarHBondContact O-N 2.01Å
90V82.4Confident74.5Confident110 Ų110106.7 Ų106.767%0.66759%0.586SS**Hα-helixtrans-71.4-40.7177.1173.30000111.8C86 Y87 L88C86-V90 WeakPolarHBondContact O-CB 3.27Å; C86-V90 VanDerWaalsContact O-CG2 3.25Å; C86-V90 WeakPolarHBondContact O-CG2 3.42Å; C86-V90 PolarHBondContact O-N 3.07Å; Y87-V90 PolarHBondContact O-N 3.09Å; L88-V90 VanDerWaalsContact C-N 3.28Å; L88-V90 PolarHBondContact O-N 2.93Å
91T77.5Confident72.3Confident75 Ų75108.9 Ų108.946%0.4660%0.598SS.*Hα-helixtrans-85.4-28.8-176.2550000114.1Y87 L88Y87-T91 HydrophobicContact CD1-CG2 4.22Å; Y87-T91 HydrophobicContact CD2-CG2 4.01Å; Y87-T91 HydrophobicContact CE1-CG2 3.82Å; Y87-T91 HydrophobicContact CE2-CG2 3.59Å; Y87-T91 HydrophobicContact CG-CG2 4.31Å; Y87-T91 VanDerWaalsContact CZ-CG2 3.5Å; Y87-T91 WeakPolarHBondContact O-CB 3.24Å; Y87-T91 VanDerWaalsContact O-CG2 3.31Å; Y87-T91 WeakPolarHBondContact O-CG2 3.45Å; Y87-T91 PolarHBondContact O-N 2.81Å; Y87-T91 PolarHBondContact O-OG1 3.48Å; L88-T91 WeakPolarHBondContact CA-OG1 3.46Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-T91 VanDerWaalsContact O-N 3.15Å; L88-T91 PolarHBondContact O-OG1 2.96Å
92T67.7Low70.1Confident82 Ų82110.9 Ų110.950%0.50361%0.612SS.*Hα-helixtrans-98.63.5-176.972.30000113.2L88L88-T92 HydrophobicContact CB-CG2 4.3Å; L88-T92 HydrophobicContact CD2-CG2 4.06Å; L88-T92 WeakPolarHBondContact O-CA 3.32Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 VanDerWaalsContact O-CG2 3.28Å; L88-T92 WeakPolarHBondContact O-CG2 3.34Å; L88-T92 PolarHBondContact O-N 2.86Å; L88-T92 PolarHBondContact O-OG1 3.38Å
93K53.7Low67.6Low167 Ų167114.4 Ų114.473%0.72663%0.631SS**  trans-8.494.6176.8-107.1-147.6-174-1800110F89 R95F89-K93 PolarHBondContact O-N 2.01Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.45Å
94P55.1Low65.3Low77 Ų77121.9 Ų121.950%0.565%0.648SS.*  trans-66105.9-178.924.1-29.1000105G96P94-G96 PolarHBondContact O-N 3.02Å
95R55.7Low62.5Low250 Ų250122.1 Ų122.194%0.94366%0.658SS**SBendtrans-6092.8158.1-80.9-177.9162.8153.4-3.5104.8K93K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.45Å
96G55.8Low60.4Low39 Ų39122.9 Ų122.940%0.40267%0.669SS.*  trans108.887.5176.500000113.7P94 D98P94-G96 PolarHBondContact O-N 3.02Å; G96-D98 VanDerWaalsContact CA-N 3.26Å; G96-D98 PolarHBondContact O-N 2.82Å
97L49.7Very low57.9Low157 Ų157126.2 Ų126.282%0.82268%0.681SS**  -7181115.3-107.485.2000105.1S99L97-S99 PolarHBondContact O-N 2.88Å
98D48.7Very low55Low146 Ų146122.3 Ų122.378%0.78168%0.682SS**  trans-69.388.3164.5-76.9-42.4000105.4G96 G100G96-D98 VanDerWaalsContact CA-N 3.26Å; G96-D98 PolarHBondContact O-N 2.82Å; D98-G100 PolarHBondContact O-N 3.16Å
99S49.8Very low52.6Low110 Ų110125.6 Ų125.677%0.76970%0.698SS**  trans-65.962156.4-64.30000108.3L97 L101L97-S99 PolarHBondContact O-N 2.88Å; S99-L101 PolarHBondContact O-N 2.61Å; S99-L101 VanDerWaalsContact O-N 3.11Å
100G48.9Very low50.3Low65 Ų65125.3 Ų125.367%0.6770%0.702SS**  trans-82.767.7170.400000108.9D98 P102D98-G100 PolarHBondContact O-N 3.16Å; G100-P102 WeakPolarHBondContact O-CD 3.45Å
101L50.7Low47.9Very low139 Ų139125 Ų12573%0.72870%0.704SS**  trans-8899.7157.7-165.574.9000106.2S99 L103S99-L101 PolarHBondContact O-N 2.61Å; S99-L101 VanDerWaalsContact O-N 3.11Å; L101-L103 HydrophobicContact CD2-CD1 4.08Å; L101-L103 HydrophobicContact CD2-CG 4.01Å; L101-L103 HydrophobicContact CG-CG 4.36Å; L101-L103 PolarHBondContact O-N 3.18Å
102P49.6Very low45.8Very low119 Ų119129.9 Ų129.977%0.77372%0.722SS**  trans-75.382.817432-33.2000108.2G100 R104G100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-R104 PolarHBondContact O-N 3.2Å
103L43.5Very low44.1Very low150 Ų150134.9 Ų134.979%0.78574%0.74SS**  trans-67.589.2159.6-78167.5000106.9L101 A105L101-L103 HydrophobicContact CD2-CD1 4.08Å; L101-L103 HydrophobicContact CD2-CG 4.01Å; L101-L103 HydrophobicContact CG-CG 4.36Å; L101-L103 PolarHBondContact O-N 3.18Å; L103-A105 PolarHBondContact O-N 2.04Å; L103-A105 VanDerWaalsContact O-N 3.08Å
104R45.9Very low42.9Very low232 Ų232130.3 Ų130.388%0.87574%0.74SS**  trans-68.6102.3169.9-171.3163.1-177.6104.9-2.4107.3P102 P106P102-R104 PolarHBondContact O-N 3.2Å; R104-P106 VanDerWaalsContact O-CD 3.24Å; R104-P106 WeakPolarHBondContact O-CD 3.18Å
105A37.4Very low41.6Very low78 Ų78132 Ų13265%0.64576%0.76SS**  trans-70.6121.6162.300000108.6L103L103-A105 PolarHBondContact O-N 2.04Å; L103-A105 VanDerWaalsContact O-N 3.08Å
106P45.6Very low40.2Very low118 Ų118123.6 Ų123.677%0.76675%0.751SS**  trans-92.296.1167.3-2.423.5000108.9R104R104-P106 VanDerWaalsContact O-CD 3.24Å; R104-P106 WeakPolarHBondContact O-CD 3.18Å
107D35.3Very low38.9Very low150 Ų150126.5 Ų126.580%0.80277%0.772SS**  trans-100.7104.7159.9-76.6-45.6000107.5
108A32Very low37.9Very low76 Ų76123.8 Ų123.863%0.62877%0.766SS**  83.992.5104.800000111.7
109I36.5Very low37Very low148 Ų148124.9 Ų124.976%0.75977%0.766SS**  86.411486.3-76.5171.2000112.6
110I34Very low36Very low144 Ų144124.5 Ų124.574%0.73876%0.763SS**  trans80.1116.8142.8-62169.2000120.4
111S33.3Very low35.1Very low102 Ų102127.1 Ų127.171%0.71377%0.771SS**  153.9103.6122.3-67.40000109.1
112Q34.1Very low34.2Very low179 Ų179125.1 Ų125.184%0.83678%0.775SS**  61.614891-82.2-168.7-20.400116.3
113Q31.4Very low34.1Very low187 Ų187125.4 Ų125.487%0.87478%0.777SS**  trans82.8126-178.2-11790.8-31.600115.6
114G27.4Very low33.4Very low70 Ų70123.1 Ų123.172%0.72278%0.779SS**  cis149.4137.4400000110.4
115A28.6Very low32.7Very low112 Ų112115.2 Ų115.293%0.92677%0.77SS**  trans76.8112.1156.700000122.6
116G26.6Very low32.8Very low74 Ų74118.1 Ų118.176%0.76378%0.782SS**  92.7114.6106.600000121.6
117A28.1Very low32.3Very low101 Ų101121.9 Ų121.984%0.83579%0.79SS**  trans55.2147.514500000119.2
118S27.9Very low32.2Very low99 Ų99118.3 Ų118.369%0.69279%0.788SS**  cis-175.9167.42.736.60000107.3
119H31.4Very low32.9Very low170 Ų170122.9 Ų122.979%0.78780%0.801SS**  trans86.2109.3164.7-76.4-82.8000121.6
120S28.5Very low33.5Very low102 Ų102126.3 Ų126.371%0.71380%0.804SS**  trans39.8128.8131.1460000118.5
121S29.1Very low34.1Very low120 Ų120128.6 Ų128.684%0.83981%0.809SS**  cis-178144.136.1330000107.8
122A32.3Very low34.5Very low96 Ų96131.2 Ų131.279%0.79381%0.81SS**  trans-101.1175.8172.900000110.5
123P47.4Very low35Very low126 Ų126132.2 Ų132.282%0.81881%0.811SS**  cis-131.1169-22.727.3-6.8000112.8
124A28.6Very low35.5Very low102 Ų102129.3 Ų129.384%0.84381%0.807SS**  trans170.9118.7134.100000112.8
125G32.1Very low36.3Very low66 Ų66135.9 Ų135.968%0.6881%0.809SS**  trans57.5114.6139.300000120.4Q127G125-Q127 PolarHBondContact O-N 2.94Å
126P39.4Very low36.7Very low139 Ų139134.1 Ų134.190%0.90380%0.803SS**  trans-78.1120.1176.730.4-30000111.6
127Q33.7Very low37.1Very low197 Ų197138 Ų13892%0.92180%0.798SS**  trans-98125.8161.6-67.9-165.78.700110.1G125G125-Q127 PolarHBondContact O-N 2.94Å
128G34.8Very low37.9Very low74 Ų74140 Ų14076%0.76379%0.794SS**  trans106.389.914400000117.5
129L46.7Very low38.3Very low172 Ų172141.5 Ų141.590%0.90180%0.795SS**  trans-140.795.3130.2-159.675.9000109.5K131L129-K131 PolarHBondContact O-N 3.48Å
130R48.2Very low38.5Very low220 Ų220139.8 Ų139.883%0.8380%0.8SS**  trans-52.3126.3167.1-85.3-174.6162.4-174-3.5109.9
131K46.3Very low39Very low193 Ų193141.5 Ų141.584%0.83980%0.801SS**  trans-160.391139.6-100.6161.5-166.9-172.40108.8L129 F133L129-K131 PolarHBondContact O-N 3.48Å; K131-F133 PolarHBondContact O-N 3.49Å
132H42.4Very low39.8Very low157 Ų157143 Ų14373%0.72780%0.8SS**  trans1496.1158.3-65.5-91.8000118
133F43.1Very low40.2Very low199 Ų199146.6 Ų146.687%0.87380%0.8SS**  trans-77.1112.9144-100.5-97.5000108K131K131-F133 PolarHBondContact O-N 3.49Å
134V43.4Very low39.7Very low127 Ų127148.5 Ų148.577%0.7780%0.798SS**  trans-122.890.4148.4-176.30000107.4G136V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.1Å; V134-G136 VanDerWaalsContact O-N 3.09Å
135R44.5Very low40.4Very low207 Ų207149.3 Ų149.378%0.78180%0.795SS**  trans-53.995151.6179.8-179.3-176.1172.42.2108.1K137R135-K137 PolarHBondContact O-N 2.9Å
136G35.4Very low40.9Very low76 Ų76150.9 Ų150.978%0.78479%0.788SS**  trans-74.796.6163.400000108.9V134V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.1Å; V134-G136 VanDerWaalsContact O-N 3.09Å
137K35.3Very low41.4Very low155 Ų155148.8 Ų148.867%0.67477%0.774SS**  trans-88.4128.4176.3179.6-178.8175.7178.50109R135R135-K137 PolarHBondContact O-N 2.9Å
138L46.4Very low41.8Very low142 Ų142145 Ų14574%0.74376%0.76SS**  trans55119.4160.5-89.181.8000118.4
139D35.7Very low42.3Very low132 Ų132151 Ų15171%0.70676%0.76SS**  -168.6114.498.5-151.7-97.9000109.2
140C35Very low42.4Very low134 Ų134149.2 Ų149.291%0.90575%0.75SS**  trans-119.299.2162.1-76.80000105.2N142C140-N142 PolarHBondContact O-N 2.9Å
141D38.5Very low42.3Very low137 Ų137146.5 Ų146.573%0.73375%0.745SS**  trans-44.1135.8172.8-145.8-53.6000110.4Q143D141-Q143 PolarHBondContact O-N 2.03Å
142N45.7Very low42.3Very low151 Ų151144 Ų14481%0.80774%0.736SS**  trans-61.599.9176.6-117.3-55.8000107.6C140C140-N142 PolarHBondContact O-N 2.9Å
143Q40.9Very low42.5Very low173 Ų173147 Ų14781%0.80874%0.741SS**  trans-128.1105.6158.9-156.969-71.800110.9D141D141-Q143 PolarHBondContact O-N 2.03Å
144Q38.6Very low42.7Very low165 Ų165142.9 Ų142.977%0.77174%0.736SS**  trans-46.9133.4171.1-166159.4-92.400109.7D146Q144-D146 PolarHBondContact O-N 3.22Å
145P42.3Very low42.7Very low119 Ų119144.8 Ų144.877%0.77373%0.734SS**  trans-65.1108.1176.8-14.327.5000108.7P147P145-P147 WeakPolarHBondContact O-CD 3.24Å
146D42.1Very low42.9Very low100 Ų100143 Ų14354%0.53574%0.737SS.*  trans-61.2113.7176.8-176.55.7000109.9Q144 D148Q144-D146 PolarHBondContact O-N 3.22Å; D146-D148 PolarHBondContact O-N 3.23Å; D146-D148 VanDerWaalsContact O-N 3.15Å; D146-D148 PolarHBondContact OD1-N 3.41Å
147P49.5Very low43.5Very low95 Ų95143 Ų14362%0.61773%0.729SS**THydrogen-bonded Turntrans-65.2-14.8-175.326.2-33.6000113.4P145 R149P145-P147 WeakPolarHBondContact O-CD 3.24Å; P147-R149 VanDerWaalsContact C-N 3.33Å; P147-R149 PolarHBondContact O-N 3.4Å
148D43.9Very low44Very low116 Ų116141.7 Ų141.762%0.6273%0.734SS**Hα-helixtrans-76.1-17.7-175.3-70.9-35.7000113.9D146 L150D146-D148 PolarHBondContact O-N 3.23Å; D146-D148 VanDerWaalsContact O-N 3.15Å; D146-D148 PolarHBondContact OD1-N 3.41Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.86Å
149R44.6Very low43.8Very low202 Ų202141.3 Ų141.376%0.76274%0.737SS**Hα-helixtrans-76.8-15.2178.8-104.8-172.2165.3-164.2-2.1114.8P147P147-R149 VanDerWaalsContact C-N 3.33Å; P147-R149 PolarHBondContact O-N 3.4Å
150L48Very low44Very low134 Ų134140.7 Ų140.770%0.70274%0.739SS**Hα-helixtrans-84.9-32.9176.8-79.6166.8000112.4D148 Q152 R153D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.86Å; L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.82Å; L150-R153 PolarHBondContact O-N 2.92Å
151F46.1Very low44.4Very low163 Ų163139.3 Ų139.372%0.71573%0.731SS**Hα-helixtrans-65.9-32178-108.8-90.8000112.5R153 F155F151-R153 PolarHBondContact O-N 2.8Å; F151-F155 WeakPolarHBondContact O-CB 3.21Å; F151-F155 PolarHBondContact O-N 3.25Å
152Q47.7Very low44.7Very low140 Ų140139.9 Ų139.965%0.65473%0.732SS**Hα-helixtrans-75.5-22.1-177.2-135.9174.61.500113.9L150L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.82Å
153R46.6Very low44.5Very low220 Ų220138.9 Ų138.983%0.8373%0.727SS**Hα-helixtrans-86.6-26.7176-81.1-174.5178.4170.1-0.1113.7L150 F151L150-R153 PolarHBondContact O-N 2.92Å; F151-R153 PolarHBondContact O-N 2.8Å
154C46.8Very low44.8Very low113 Ų113136.2 Ų136.276%0.76472%0.722SS**Hα-helixtrans-85.9-14.2175.8-67.20000113.5
155F43.8Very low45Very low166 Ų166136 Ų13673%0.72872%0.721SS**SBendtrans-100.5-9.4-178.4-143-93.4000114.8F151F151-F155 WeakPolarHBondContact O-CB 3.21Å; F151-F155 PolarHBondContact O-N 3.25Å
156M49.2Very low44.9Very low171 Ų171137.4 Ų137.484%0.84272%0.722SS**SBendtrans-94.919.8176.1-74-157.994.500114.4
157A46.2Very low45Very low76 Ų76138 Ų13863%0.62873%0.731SS**SBendtrans-107103.3164.800000108.1
158T46.8Very low44.5Very low127 Ų127143.7 Ų143.778%0.77977%0.765SS**  trans99.269.5173.9-31.90000116.2
159V40.9Very low44.6Very low133 Ų133145.1 Ų145.181%0.80677%0.772SS**  trans-124.194.6139.8177.30000106.4S161V159-S161 PolarHBondContact O-N 2.98Å
160T41.8Very low44.6Very low119 Ų119142.1 Ų142.173%0.7377%0.773SS**  trans-67110.4163.139.10000107.2I162T160-I162 PolarHBondContact O-N 2.8Å; T160-I162 VanDerWaalsContact O-N 3.11Å
161S42.7Very low44.4Very low106 Ų106142.6 Ų142.674%0.74178%0.777SS**  trans-61.6114.2168.768.70000108.1V159 N163V159-S161 PolarHBondContact O-N 2.98Å; S161-N163 PolarHBondContact O-N 2.8Å
162I43.9Very low44.3Very low149 Ų149141.4 Ų141.476%0.76478%0.78SS**  trans-64.9109.8161.445162.8000107.4T160 V164T160-I162 PolarHBondContact O-N 2.8Å; T160-I162 VanDerWaalsContact O-N 3.11Å; I162-V164 HydrophobicContact CD1-CG2 4.45Å; I162-V164 PolarHBondContact O-N 2.78Å
163N42.7Very low44Very low130 Ų130141.4 Ų141.470%0.69579%0.788SS**  trans-71.8103.9167.7-173.830.3000106.9S161 E165S161-N163 PolarHBondContact O-N 2.8Å; N163-E165 PolarHBondContact O-N 3.17Å
164V45.9Very low43.9Very low116 Ų116136.2 Ų136.270%0.70379%0.785SS**  trans-79.685.8168.9-172.90000106.3I162 N166I162-V164 HydrophobicContact CD1-CG2 4.45Å; I162-V164 PolarHBondContact O-N 2.78Å; V164-N166 PolarHBondContact O-N 3.07Å
165E42.5Very low43.7Very low160 Ų160137.9 Ų137.975%0.74879%0.787SS**PPolyproline II helixtrans-71.2117.7165.5-160.5164.7114.400107.4N163 P167N163-E165 PolarHBondContact O-N 3.17Å; E165-P167 WeakPolarHBondContact O-CD 3.46Å
166N40.3Very low43.7Very low149 Ų149135.7 Ų135.780%0.79779%0.791SS**PPolyproline II helixtrans-90118.2-176.7-159.716.9000108.3V164V164-N166 PolarHBondContact O-N 3.07Å
167P44.5Very low43.2Very low113 Ų113132.8 Ų132.873%0.73479%0.787SS**PPolyproline II helixtrans-98.8143168.22.619.1000111.3E165E165-P167 WeakPolarHBondContact O-CD 3.46Å
168T40.1Very low42.9Very low215 Ų215137.9 Ų137.9100%1.31980%0.801SS**  trans-59.30-179.8-44.40000114.2

Retrieved 168 of 168 residues in 102.6 ms (Link to these results)