A0A096MB01_POEFO Loading...

Zyxin

AlphaFold DB , UniProt , Accession A0A096MB01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1C88.9Confident87.5Confident26 Ų2686.3 Ų86.318%0.17653%0.53CS..  0125.50172.40000109.4K3 C4 G5 K6 L8 L21C1-K3 PolarHBondContact O-N 3.12Å; C1-C4 VanDerWaalsContact CB-SG 3.53Å; C1-C4 PolarHBondContact SG-SG 2.83Å; C1-G5 WeakPolarHBondContact O-CA 3.3Å; C1-G5 PolarHBondContact O-N 2.64Å; C1-K6 WeakPolarHBondContact CA-O 3.4Å; C1-K6 WeakPolarHBondContact CB-O 3.31Å; C1-K6 PolarHBondContact N-O 3.2Å; C1-L8 HydrophobicContact CB-CD2 4.17Å; C1-L8 HydrophobicContact CB-CG 4.31Å; C1-L21 CarbonylContact C-O 3.59Å; C1-L21 VanDerWaalsContact CA-O 3.24Å; C1-L21 WeakPolarHBondContact CA-O 3.44Å
2G85.8Confident87Confident35 Ų3591.4 Ų91.436%0.36154%0.539SS..THydrogen-bonded Turntrans-65.1-9.5-174.100000116.3L21G2-L21 PolarHBondContact N-O 2.97Å
3K88.8Confident86.8Confident111 Ų11192.3 Ų92.348%0.48355%0.549SS..THydrogen-bonded Turntrans-107-52176.4-177177.7-179.6177.30113.4C1 F22 C26 C28C1-K3 PolarHBondContact O-N 3.12Å; K3-F22 HydrophobicContact CB-CD1 3.87Å; K3-F22 HydrophobicContact CB-CE1 3.95Å; K3-C26 HydrophobicContact CB-CB 4.16Å; K3-C26 HydrophobicContact CD-CB 4.22Å; K3-C26 WeakPolarHBondContact CD-O 3.36Å; K3-C28 PolarHBondContact NZ-SG 2.92Å
4C90.8Very high86.9Confident54 Ų5488.9 Ų88.937%0.36554%0.536SS..THydrogen-bonded Turntrans-98-0.2-173.167.10000114.5C1 K6 H23C1-C4 VanDerWaalsContact CB-SG 3.53Å; C1-C4 PolarHBondContact SG-SG 2.83Å; C4-K6 PolarHBondContact O-N 2.94Å; C4-H23 PolarHBondContact SG-ND1 3.32Å
5G89.2Confident87.1Confident67 Ų6785.3 Ų85.369%0.69151%0.513SS*.  trans74.8-25.4-18000000115.3C1C1-G5 WeakPolarHBondContact O-CA 3.3Å; C1-G5 PolarHBondContact O-N 2.64Å
6K91.9Very high87.2Confident152 Ų15291.2 Ų91.266%0.66153%0.529SS*.PPolyproline II helixtrans-65.9153-178.4-57.8-176.4-178.4-175.60113.5C1 C4C1-K6 WeakPolarHBondContact CA-O 3.4Å; C1-K6 WeakPolarHBondContact CB-O 3.31Å; C1-K6 PolarHBondContact N-O 3.2Å; C4-K6 PolarHBondContact O-N 2.94Å
7D90.8Very high87.2Confident149 Ų14986.5 Ų86.580%0.79750%0.504SS*.PPolyproline II helixtrans-60.4154176.6-59.7-55.9000112.9H23D7-H23 PolarHBondContact O-NE2 3.3Å
8L89.2Confident87.1Confident50 Ų5085.1 Ų85.126%0.26249%0.493SS..PPolyproline II helixtrans-102.2124.7173.9-69162.8000108.2C1 A14 L21 H23C1-L8 HydrophobicContact CB-CD2 4.17Å; C1-L8 HydrophobicContact CB-CG 4.31Å; L8-A14 HydrophobicContact CD1-CB 4.12Å; L8-A14 HydrophobicContact CD2-CB 4.26Å; L8-L21 HydrophobicContact CD1-CB 3.19Å; L8-L21 HydrophobicContact CD1-CD1 4.13Å; L8-L21 HydrophobicContact CD1-CG 4.29Å; L8-H23 VanDerWaalsContact CD2-CD2 3.4Å; L8-H23 WeakPolarHBondContact CD2-CD2 3.49Å
9S86.6Confident87.1Confident58 Ų5884.7 Ų84.741%0.40651%0.509SS..PPolyproline II helixtrans-65.8139176.4-172.30000110.9T11 K12S9-T11 PolarHBondContact O-N 3.49Å; S9-T11 PolarHBondContact OG-N 3.5Å; S9-T11 PolarHBondContact OG-OG1 3.43Å; S9-K12 PolarHBondContact O-N 2.84Å
10S77.3Confident87.2Confident128 Ų12886.8 Ų86.890%0.89551%0.511SS*.THydrogen-bonded Turntrans-62.2-20.4170.552.90000113.1
11T83.4Confident87.4Confident119 Ų11986.9 Ų86.973%0.7351%0.509SS*.THydrogen-bonded Turntrans-92.9-9.1-177.459.60000114.6S9S9-T11 PolarHBondContact O-N 3.49Å; S9-T11 PolarHBondContact OG-N 3.5Å; S9-T11 PolarHBondContact OG-OG1 3.43Å
12K81.5Confident87.5Confident148 Ų14886.2 Ų86.264%0.64350%0.503SS*.SBendtrans-114.6143.6-178.4-69.7-176.1178.9177.70110.5S9 A14S9-K12 PolarHBondContact O-N 2.84Å; K12-A14 PolarHBondContact O-N 3Å
13P84.4Confident87.8Confident103 Ų10386.6 Ų86.667%0.66950%0.495SS*.  trans-63.1131.5177.825.8-33.1000110.4P24P13-P24 HydrophobicContact CG-CG 4.43Å; P13-P24 WeakPolarHBondContact O-CD 3.25Å; P13-P24 VanDerWaalsContact O-CG 3.25Å; P13-P24 WeakPolarHBondContact O-CG 3.41Å
14A88.5Confident87.7Confident45 Ų4583.1 Ų83.137%0.37248%0.484SS..  trans-109.7142.9174.200000110.2L8 K12L8-A14 HydrophobicContact CD1-CB 4.12Å; L8-A14 HydrophobicContact CD2-CB 4.26Å; K12-A14 PolarHBondContact O-N 3Å
15L89.4Confident87.5Confident35 Ų3585 Ų8518%0.18350%0.498CS..EExtended strand (participates in β ladder)trans-94.7123.9177.1-62-178.2000110L21 F22 P24 F27 Q37L15-L21 CarbonylContact O-C 3.58Å; L15-L21 WeakPolarHBondContact O-CA 3.49Å; L15-F22 PolarHBondContact N-O 3.05Å; L15-F22 PolarHBondContact O-N 3.31Å; L15-P24 HydrophobicContact CD1-CB 4.38Å; L15-P24 HydrophobicContact CG-CG 4.43Å; L15-F27 HydrophobicContact CD1-CB 3.81Å; L15-F27 HydrophobicContact CD1-CD1 4.2Å; L15-F27 HydrophobicContact CD1-CG 4.31Å; L15-Q37 HydrophobicContact CD1-CB 3.97Å; L15-Q37 HydrophobicContact CD1-CG 4.06Å; L15-Q37 HydrophobicContact CD2-CG 4.11Å
16K89.2Confident87.6Confident179 Ų17982.8 Ų82.878%0.77847%0.471SS*.EExtended strand (participates in β ladder)trans-89.9115.7171.5-170.6177.4-179.1179.90109.3K20 L21K16-K20 WeakPolarHBondContact CA-O 3.44Å; K16-L21 HydrophobicContact CB-CD2 3.85Å; K16-L21 HydrophobicContact CG-CD2 4.12Å
17A86.2Confident87.6Confident12 Ų1275.9 Ų75.910%0.09944%0.442CS..EExtended strand (participates in β ladder)trans-148.7149.117700000109.6G19 K20 F22 F27 F41A17-G19 PolarHBondContact O-N 2.93Å; A17-K20 PolarHBondContact N-O 3.13Å; A17-K20 CarbonylContact O-C 3.58Å; A17-K20 PolarHBondContact O-N 3.5Å; A17-F22 HydrophobicContact CB-CD2 4.34Å; A17-F22 HydrophobicContact CB-CE2 4.33Å; A17-F22 WeakPolarHBondContact O-CE2 3.21Å; A17-F27 HydrophobicContact CB-CD2 4.08Å; A17-F27 HydrophobicContact CB-CE1 4.49Å; A17-F27 HydrophobicContact CB-CE2 3.46Å; A17-F27 VanDerWaalsContact CB-CE2 3.46Å; A17-F27 HydrophobicContact CB-CZ 3.7Å; A17-F41 HydrophobicContact CB-CZ 4.3Å
18M86.1Confident87.7Confident61 Ų6169.3 Ų69.330%0.341%0.407SS..THydrogen-bonded Turntrans52.733.7173-50.9172.860.700113.9K20 F41 V43 G46 P48M18-K20 PolarHBondContact O-N 3.29Å; M18-F41 HydrophobicContact CG-CE2 4.11Å; M18-V43 HydrophobicContact CE-CB 4.28Å; M18-V43 HydrophobicContact CE-CG1 3.47Å; M18-V43 VanDerWaalsContact CE-CG1 3.47Å; M18-V43 HydrophobicContact CE-CG2 3.85Å; M18-V43 HydrophobicContact CG-CG2 3.86Å; M18-V43 HydrophobicContact SD-CG2 3.95Å; M18-G46 WeakPolarHBondContact CE-O 3.48Å; M18-P48 HydrophobicContact SD-CB 3.95Å; M18-P48 HydrophobicContact SD-CG 4.26Å
19G86.3Confident87.9Confident78 Ų7867 Ų6780%0.80440%0.395SS*.THydrogen-bonded Turntrans70.66.5-176.500000115.8A17A17-G19 PolarHBondContact O-N 2.93Å
20K89.6Confident88.1Confident125 Ų12568.6 Ų68.654%0.54340%0.395SS..EExtended strand (participates in β ladder)trans-126163.9-179.1-63.8-178.8-177-179.80111.5K16 A17 M18 F22K16-K20 WeakPolarHBondContact CA-O 3.44Å; A17-K20 PolarHBondContact N-O 3.13Å; A17-K20 CarbonylContact O-C 3.58Å; A17-K20 PolarHBondContact O-N 3.5Å; M18-K20 PolarHBondContact O-N 3.29Å; K20-F22 HydrophobicContact CB-CD2 4.41Å; K20-F22 HydrophobicContact CB-CE2 3.63Å; K20-F22 HydrophobicContact CB-CZ 3.91Å; K20-F22 HydrophobicContact CD-CZ 4.45Å
21L91.6Very high88.9Confident89 Ų8965.9 Ų65.947%0.46638%0.376SS..EExtended strand (participates in β ladder)trans-103.3136173.3-62.2174.2000110.9C1 G2 L8 L15 K16C1-L21 CarbonylContact C-O 3.59Å; C1-L21 VanDerWaalsContact CA-O 3.24Å; C1-L21 WeakPolarHBondContact CA-O 3.44Å; G2-L21 PolarHBondContact N-O 2.97Å; L8-L21 HydrophobicContact CD1-CB 3.19Å; L8-L21 HydrophobicContact CD1-CD1 4.13Å; L8-L21 HydrophobicContact CD1-CG 4.29Å; L15-L21 CarbonylContact O-C 3.58Å; L15-L21 WeakPolarHBondContact O-CA 3.49Å; K16-L21 HydrophobicContact CB-CD2 3.85Å; K16-L21 HydrophobicContact CG-CD2 4.12Å
22F91.6Very high89.4Confident13 Ų1362.2 Ų62.26%0.05735%0.354CS..EExtended strand (participates in β ladder)trans-128.5150.3-177.3-62.3-94.3000111.5K3 L15 A17 K20 F27K3-F22 HydrophobicContact CB-CD1 3.87Å; K3-F22 HydrophobicContact CB-CE1 3.95Å; L15-F22 PolarHBondContact N-O 3.05Å; L15-F22 PolarHBondContact O-N 3.31Å; A17-F22 HydrophobicContact CB-CD2 4.34Å; A17-F22 HydrophobicContact CB-CE2 4.33Å; A17-F22 WeakPolarHBondContact O-CE2 3.21Å; K20-F22 HydrophobicContact CB-CD2 4.41Å; K20-F22 HydrophobicContact CB-CE2 3.63Å; K20-F22 HydrophobicContact CB-CZ 3.91Å; K20-F22 HydrophobicContact CD-CZ 4.45Å; F22-F27 HydrophobicContact CB-CB 4.12Å; F22-F27 HydrophobicContact CD2-CD2 4.16Å; F22-F27 HydrophobicContact CG-CD2 4.21Å
23H90.9Very high89.9Confident43 Ų4361.3 Ų61.320%0.19935%0.352CS..  trans-62.8147.3161.8-60.7112.7000109.4C4 D7 L8 S25 C26 F27C4-H23 PolarHBondContact SG-ND1 3.32Å; D7-H23 PolarHBondContact O-NE2 3.3Å; L8-H23 VanDerWaalsContact CD2-CD2 3.4Å; L8-H23 WeakPolarHBondContact CD2-CD2 3.49Å; H23-S25 PolarHBondContact O-N 3.14Å; H23-C26 HydrophobicContact CB-CB 3.83Å; H23-C26 PolarHBondContact ND1-SG 3.45Å; H23-C26 WeakPolarHBondContact O-CA 3.25Å; H23-C26 WeakPolarHBondContact O-CB 3.32Å; H23-C26 PolarHBondContact O-N 2.86Å; H23-F27 PolarHBondContact O-N 3.37Å; H23-F27 VanDerWaalsContact O-N 3.1Å
24P86.9Confident90.2Very high37 Ų3763.4 Ų63.424%0.2435%0.347CS..THydrogen-bonded Turntrans-50.9-42.1173.3-3036.7000113.5P13 L15P13-P24 HydrophobicContact CG-CG 4.43Å; P13-P24 WeakPolarHBondContact O-CD 3.25Å; P13-P24 VanDerWaalsContact O-CG 3.25Å; P13-P24 WeakPolarHBondContact O-CG 3.41Å; L15-P24 HydrophobicContact CD1-CB 4.38Å; L15-P24 HydrophobicContact CG-CG 4.43Å
25S87.4Confident90.3Very high94 Ų9465 Ų6566%0.65735%0.353SS*.THydrogen-bonded Turntrans-73.9-23.2176.257.50000114.3H23H23-S25 PolarHBondContact O-N 3.14Å
26C89.9Confident90.2Very high20 Ų2063.5 Ų63.514%0.13535%0.345CS..THydrogen-bonded Turntrans-83.7-22.6179.5-72.10000112.3K3 H23 C28K3-C26 HydrophobicContact CB-CB 4.16Å; K3-C26 HydrophobicContact CD-CB 4.22Å; K3-C26 WeakPolarHBondContact CD-O 3.36Å; H23-C26 HydrophobicContact CB-CB 3.83Å; H23-C26 PolarHBondContact ND1-SG 3.45Å; H23-C26 WeakPolarHBondContact O-CA 3.25Å; H23-C26 WeakPolarHBondContact O-CB 3.32Å; H23-C26 PolarHBondContact O-N 2.86Å; C26-C28 PolarHBondContact O-N 3.46Å
27F91.9Very high90Very high8 Ų860.6 Ų60.64%0.03533%0.334CS..  trans-82.982.8177.7-167.4-110.9000110.9L15 A17 F22 H23 M36 F41 P48L15-F27 HydrophobicContact CD1-CB 3.81Å; L15-F27 HydrophobicContact CD1-CD1 4.2Å; L15-F27 HydrophobicContact CD1-CG 4.31Å; A17-F27 HydrophobicContact CB-CD2 4.08Å; A17-F27 HydrophobicContact CB-CE1 4.49Å; A17-F27 HydrophobicContact CB-CE2 3.46Å; A17-F27 VanDerWaalsContact CB-CE2 3.46Å; A17-F27 HydrophobicContact CB-CZ 3.7Å; F22-F27 HydrophobicContact CB-CB 4.12Å; F22-F27 HydrophobicContact CD2-CD2 4.16Å; F22-F27 HydrophobicContact CG-CD2 4.21Å; H23-F27 PolarHBondContact O-N 3.37Å; H23-F27 VanDerWaalsContact O-N 3.1Å; F27-M36 HydrophobicContact CD1-CB 3.93Å; F27-M36 HydrophobicContact CE1-CB 3.77Å; F27-M36 PolarHBondContact O-N 2.95Å; F27-F41 AromaticContact CE1-CD1 4Å; F27-F41 HydrophobicContact CE1-CD1 4Å; F27-F41 HydrophobicContact CE1-CE1 4.12Å; F27-F41 HydrophobicContact CE1-CG 4.44Å; F27-F41 AromaticContact CZ-CD1 3.79Å; F27-F41 HydrophobicContact CZ-CD1 3.79Å; F27-F41 HydrophobicContact CZ-CD2 4.08Å; F27-F41 AromaticContact CZ-CE1 3.72Å; F27-F41 HydrophobicContact CZ-CE1 3.72Å; F27-F41 HydrophobicContact CZ-CE2 4.01Å; F27-F41 AromaticContact CZ-CG 3.99Å; F27-F41 HydrophobicContact CZ-CG 3.99Å; F27-F41 AromaticContact CZ-CZ 3.84Å; F27-F41 HydrophobicContact CZ-CZ 3.84Å; F27-P48 HydrophobicContact CD2-CG 4.34Å; F27-P48 HydrophobicContact CE2-CB 3.88Å; F27-P48 HydrophobicContact CE2-CG 3.95Å; F27-P48 HydrophobicContact CZ-CB 4.12Å
28C93.1Very high89.8Confident11 Ų1164.2 Ų64.27%0.07437%0.373CS..BIsolated β-bridgetrans-136158.3-178.871.30000112.4K3 C26 K30 H33 R34K3-C28 PolarHBondContact NZ-SG 2.92Å; C26-C28 PolarHBondContact O-N 3.46Å; C28-K30 PolarHBondContact O-N 2.84Å; C28-H33 WeakPolarHBondContact CB-O 3.43Å; C28-R34 CarbonylContact C-O 3.56Å; C28-R34 WeakPolarHBondContact CA-O 3.43Å; C28-R34 VanDerWaalsContact CB-O 3.22Å; C28-R34 WeakPolarHBondContact CB-O 3.39Å
29C93.4Very high89.8Confident0 Ų065.2 Ų65.20%038%0.378CS..  trans-53.9132.8-179.8-179.60000111.5S31 C32 H33 R34 M36 P48 C50 C53C29-S31 VanDerWaalsContact C-N 3.31Å; C29-S31 PolarHBondContact O-N 3.21Å; C29-C32 VanDerWaalsContact SG-SG 3.64Å; C29-H33 WeakPolarHBondContact O-CA 3.12Å; C29-H33 PolarHBondContact O-N 3.42Å; C29-H33 PolarHBondContact O-ND1 2.94Å; C29-R34 PolarHBondContact N-O 3.08Å; C29-M36 HydrophobicContact CB-CG 4.49Å; C29-M36 HydrophobicContact CB-SD 4.1Å; C29-P48 CarbonylContact C-O 3.54Å; C29-P48 WeakPolarHBondContact CA-O 3.47Å; C29-C50 HydrophobicContact CB-CB 4.21Å; C29-C50 PolarHBondContact SG-N 3.26Å; C29-C50 VanDerWaalsContact SG-N 3.36Å; C29-C53 VanDerWaalsContact SG-SG 3.7Å
30K91.7Very high89.9Confident93 Ų9368.8 Ų68.840%0.40437%0.374SS..THydrogen-bonded Turntrans-55.4-45.2175.6-171.9-173.4-173.8175.70111.7C28 H33 E45 P48 E49C28-K30 PolarHBondContact O-N 2.84Å; K30-H33 PolarHBondContact O-CE1 2.9Å; K30-H33 VanDerWaalsContact O-CE1 3.3Å; K30-E45 IonicContact NZ-OE2 3.21Å; K30-E45 PolarHBondContact NZ-OE2 3.46Å; K30-P48 PolarHBondContact N-O 3.08Å; K30-E49 HydrophobicContact CB-CG 4.27Å
31S92.8Very high90Very high71 Ų7166.4 Ų66.450%0.49736%0.363SS..THydrogen-bonded Turntrans-87.3-31.1-169.9-24.10000114.5C29C29-S31 VanDerWaalsContact C-N 3.31Å; C29-S31 PolarHBondContact O-N 3.21Å
32C94.3Very high90Very high41 Ų4165.9 Ų65.928%0.27736%0.356SS..THydrogen-bonded Turntrans-126.22.1-174.581.60000114.5C29 R34C29-C32 VanDerWaalsContact SG-SG 3.64Å; C32-R34 PolarHBondContact O-N 3.07Å
33H92.5Very high89.9Confident129 Ų12969.2 Ų69.260%0.59738%0.377SS*.  trans57.312.4176.7-53.3-44.9000116.9C28 C29 K30C28-H33 WeakPolarHBondContact CB-O 3.43Å; C29-H33 WeakPolarHBondContact O-CA 3.12Å; C29-H33 PolarHBondContact O-N 3.42Å; C29-H33 PolarHBondContact O-ND1 2.94Å; K30-H33 PolarHBondContact O-CE1 2.9Å; K30-H33 VanDerWaalsContact O-CE1 3.3Å
34R91.1Very high89.7Confident148 Ų14870.4 Ų70.456%0.55838%0.382SS*.  trans-66.6129.1175.1-172.8177.5-178.2165.62.9110C28 C29 C32 M36C28-R34 CarbonylContact C-O 3.56Å; C28-R34 WeakPolarHBondContact CA-O 3.43Å; C28-R34 VanDerWaalsContact CB-O 3.22Å; C28-R34 WeakPolarHBondContact CB-O 3.39Å; C29-R34 PolarHBondContact N-O 3.08Å; C32-R34 PolarHBondContact O-N 3.07Å; R34-M36 WeakPolarHBondContact O-CG 3.49Å
35P90.4Very high89.7Confident78 Ų7875.9 Ų75.951%0.50640%0.404SS..BIsolated β-bridgetrans-55.9137.8172.6-23.733.4000110.9
36M87.4Confident89.6Confident3 Ų374.3 Ų74.32%0.01540%0.402CS..  trans-114.414.5-175.4-60.1-145.6-66.800113.5F27 C29 R34 G38 M39 F41 P48 C50F27-M36 HydrophobicContact CD1-CB 3.93Å; F27-M36 HydrophobicContact CE1-CB 3.77Å; F27-M36 PolarHBondContact O-N 2.95Å; C29-M36 HydrophobicContact CB-CG 4.49Å; C29-M36 HydrophobicContact CB-SD 4.1Å; R34-M36 WeakPolarHBondContact O-CG 3.49Å; M36-G38 PolarHBondContact O-N 2.89Å; M36-M39 PolarHBondContact O-N 2.8Å; M36-M39 VanDerWaalsContact O-N 3.11Å; M36-F41 HydrophobicContact CE-CB 3.32Å; M36-F41 HydrophobicContact CE-CG 4.14Å; M36-F41 HydrophobicContact SD-CB 3.84Å; M36-P48 HydrophobicContact CE-CB 3.49Å; M36-P48 VanDerWaalsContact CE-CB 3.49Å; M36-P48 HydrophobicContact CE-CG 4.26Å; M36-C50 WeakPolarHBondContact SD-CA 3.42Å; M36-C50 HydrophobicContact SD-CB 3.6Å; M36-C50 PolarHBondContact SD-N 2.92Å; M36-C50 VanDerWaalsContact SD-N 3.4Å
37Q84.9Confident89.5Confident118 Ų11874.9 Ų74.955%0.55141%0.406SS*.THydrogen-bonded Turntrans-59.2124.3172.3-175.2176.5-13.100110L15 M39L15-Q37 HydrophobicContact CD1-CB 3.97Å; L15-Q37 HydrophobicContact CD1-CG 4.06Å; L15-Q37 HydrophobicContact CD2-CG 4.11Å; Q37-M39 PolarHBondContact O-N 3.32Å
38G82.6Confident89.5Confident89 Ų8975.3 Ų75.392%0.91841%0.41SS*.THydrogen-bonded Turntrans71.93.8-178.800000115.1M36M36-G38 PolarHBondContact O-N 2.89Å
39M84.8Confident89.5Confident82 Ų8275.4 Ų75.440%0.40441%0.41SS..SBendtrans-105.6149.8176.9-58-170.982.300110.9M36 Q37M36-M39 PolarHBondContact O-N 2.8Å; M36-M39 VanDerWaalsContact O-N 3.11Å; Q37-M39 PolarHBondContact O-N 3.32Å
40Q88.3Confident89.5Confident153 Ų15376 Ų7672%0.71541%0.414SS*.  trans-64.4139.5167.1-70.1-177.2-13.300110.4
41F91.9Very high89.5Confident74 Ų7477.5 Ų77.533%0.32542%0.42SS..EExtended strand (participates in β ladder)trans-138.6161.3178.668.8-87.3000111.5A17 M18 F27 M36 V43 P48 E49A17-F41 HydrophobicContact CB-CZ 4.3Å; M18-F41 HydrophobicContact CG-CE2 4.11Å; F27-F41 AromaticContact CE1-CD1 4Å; F27-F41 HydrophobicContact CE1-CD1 4Å; F27-F41 HydrophobicContact CE1-CE1 4.12Å; F27-F41 HydrophobicContact CE1-CG 4.44Å; F27-F41 AromaticContact CZ-CD1 3.79Å; F27-F41 HydrophobicContact CZ-CD1 3.79Å; F27-F41 HydrophobicContact CZ-CD2 4.08Å; F27-F41 AromaticContact CZ-CE1 3.72Å; F27-F41 HydrophobicContact CZ-CE1 3.72Å; F27-F41 HydrophobicContact CZ-CE2 4.01Å; F27-F41 AromaticContact CZ-CG 3.99Å; F27-F41 HydrophobicContact CZ-CG 3.99Å; F27-F41 AromaticContact CZ-CZ 3.84Å; F27-F41 HydrophobicContact CZ-CZ 3.84Å; M36-F41 HydrophobicContact CE-CB 3.32Å; M36-F41 HydrophobicContact CE-CG 4.14Å; M36-F41 HydrophobicContact SD-CB 3.84Å; F41-V43 HydrophobicContact CD2-CG2 4.23Å; F41-V43 HydrophobicContact CE2-CG2 3.85Å; F41-P48 HydrophobicContact CD2-CB 4.12Å; F41-E49 WeakPolarHBondContact CA-O 3.47Å
42Y91.7Very high89.5Confident79 Ų7982.6 Ų82.631%0.3143%0.429SS..EExtended strand (participates in β ladder)trans-119.5146.6177.3-61.9-95.5000109.2P48 E49 K51 Y54Y42-P48 CarbonylContact O-C 3.56Å; Y42-P48 WeakPolarHBondContact O-CA 3.43Å; Y42-E49 PolarHBondContact N-O 3.02Å; Y42-E49 PolarHBondContact O-N 2.99Å; Y42-K51 HydrophobicContact CE2-CB 3.82Å; Y42-K51 HydrophobicContact CE2-CG 3.98Å; Y42-Y54 AromaticContact CD1-CD1 3.85Å; Y42-Y54 HydrophobicContact CD1-CD1 3.85Å; Y42-Y54 HydrophobicContact CD1-CD2 4.48Å; Y42-Y54 AromaticContact CD1-CE1 3.85Å; Y42-Y54 HydrophobicContact CD1-CE1 3.85Å; Y42-Y54 HydrophobicContact CD1-CE2 4.47Å; Y42-Y54 HydrophobicContact CD1-CG 4.18Å; Y42-Y54 HydrophobicContact CD2-CD1 4.03Å; Y42-Y54 HydrophobicContact CD2-CG 4.01Å; Y42-Y54 HydrophobicContact CE1-CD1 4.16Å; Y42-Y54 HydrophobicContact CE1-CE1 4.11Å; Y42-Y54 HydrophobicContact CE2-CD1 4.34Å; Y42-Y54 AromaticContact CG-CD1 3.79Å; Y42-Y54 HydrophobicContact CG-CD1 3.79Å; Y42-Y54 HydrophobicContact CG-CD2 4.09Å; Y42-Y54 HydrophobicContact CG-CE1 4.24Å; Y42-Y54 HydrophobicContact CG-CE2 4.5Å; Y42-Y54 AromaticContact CG-CG 3.7Å; Y42-Y54 HydrophobicContact CG-CG 3.7Å
43V90.4Very high89.5Confident82 Ų8281.4 Ų81.450%0.49742%0.42SS..EExtended strand (participates in β ladder)trans-102.4118.2178.4177.20000109M18 F41M18-V43 HydrophobicContact CE-CB 4.28Å; M18-V43 HydrophobicContact CE-CG1 3.47Å; M18-V43 VanDerWaalsContact CE-CG1 3.47Å; M18-V43 HydrophobicContact CE-CG2 3.85Å; M18-V43 HydrophobicContact CG-CG2 3.86Å; M18-V43 HydrophobicContact SD-CG2 3.95Å; F41-V43 HydrophobicContact CD2-CG2 4.23Å; F41-V43 HydrophobicContact CE2-CG2 3.85Å
44K85.9Confident89.5Confident68 Ų6878.8 Ų78.830%0.29641%0.406SS..EExtended strand (participates in β ladder)trans-126.5124.6175.1-169.2179.2-176.6-178.40108.7G46 S47 S57K44-G46 PolarHBondContact O-N 3.33Å; K44-S47 PolarHBondContact N-O 2.69Å; K44-S47 PolarHBondContact O-N 3.31Å; K44-S57 VanDerWaalsContact NZ-CB 3.27Å; K44-S57 PolarHBondContact NZ-OG 3.16Å
45E86.1Confident89.5Confident153 Ų15373.9 Ų73.972%0.71539%0.392SS*.THydrogen-bonded Turntrans51.242.1-178.7-59.2168.2175.600113K30 S47K30-E45 IonicContact NZ-OE2 3.21Å; K30-E45 PolarHBondContact NZ-OE2 3.46Å; E45-S47 PolarHBondContact O-N 3.12Å; E45-S47 VanDerWaalsContact O-N 3.16Å
46G85.8Confident89.5Confident60 Ų6074.5 Ų74.562%0.61940%0.395SS*.THydrogen-bonded Turntrans67.614-179.400000115M18 K44M18-G46 WeakPolarHBondContact CE-O 3.48Å; K44-G46 PolarHBondContact O-N 3.33Å
47S88.4Confident89.6Confident32 Ų3276.7 Ų76.722%0.22441%0.41CS..EExtended strand (participates in β ladder)trans-122146.1177.5-62.70000111.9K44 E45K44-S47 PolarHBondContact N-O 2.69Å; K44-S47 PolarHBondContact O-N 3.31Å; E45-S47 PolarHBondContact O-N 3.12Å; E45-S47 VanDerWaalsContact O-N 3.16Å
48P91.9Very high90Very high18 Ų1872.4 Ų72.412%0.11739%0.391CS..EExtended strand (participates in β ladder)trans-84.5131.9-178.835.9-36.6000111.5M18 F27 C29 K30 M36 F41 Y42M18-P48 HydrophobicContact SD-CB 3.95Å; M18-P48 HydrophobicContact SD-CG 4.26Å; F27-P48 HydrophobicContact CD2-CG 4.34Å; F27-P48 HydrophobicContact CE2-CB 3.88Å; F27-P48 HydrophobicContact CE2-CG 3.95Å; F27-P48 HydrophobicContact CZ-CB 4.12Å; C29-P48 CarbonylContact C-O 3.54Å; C29-P48 WeakPolarHBondContact CA-O 3.47Å; K30-P48 PolarHBondContact N-O 3.08Å; M36-P48 HydrophobicContact CE-CB 3.49Å; M36-P48 VanDerWaalsContact CE-CB 3.49Å; M36-P48 HydrophobicContact CE-CG 4.26Å; F41-P48 HydrophobicContact CD2-CB 4.12Å; Y42-P48 CarbonylContact O-C 3.56Å; Y42-P48 WeakPolarHBondContact O-CA 3.43Å
49E93.8Very high90.6Very high13 Ų1369.7 Ų69.76%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-121.8143.1174.5-71.2-172.1-176.400111.6K30 F41 Y42 Y54K30-E49 HydrophobicContact CB-CG 4.27Å; F41-E49 WeakPolarHBondContact CA-O 3.47Å; Y42-E49 PolarHBondContact N-O 3.02Å; Y42-E49 PolarHBondContact O-N 2.99Å; E49-Y54 WeakPolarHBondContact OE2-CA 3.48Å
50C93.6Very high91.1Very high13 Ų1368.3 Ų68.39%0.08836%0.358CS..EExtended strand (participates in β ladder)trans-73155.5173.177.40000110.6C29 M36 R52 C53 Y54C29-C50 HydrophobicContact CB-CB 4.21Å; C29-C50 PolarHBondContact SG-N 3.26Å; C29-C50 VanDerWaalsContact SG-N 3.36Å; M36-C50 WeakPolarHBondContact SD-CA 3.42Å; M36-C50 HydrophobicContact SD-CB 3.6Å; M36-C50 PolarHBondContact SD-N 2.92Å; M36-C50 VanDerWaalsContact SD-N 3.4Å; C50-R52 PolarHBondContact O-N 3.49Å; C50-R52 VanDerWaalsContact O-N 3.1Å; C50-C53 PolarHBondContact O-N 3.13Å; C50-C53 VanDerWaalsContact O-N 3.07Å; C50-C53 PolarHBondContact SG-N 3.38Å; C50-C53 PolarHBondContact SG-SG 3.14Å; C50-Y54 WeakPolarHBondContact O-CB 3.49Å; C50-Y54 PolarHBondContact O-N 3.3Å
51K91.4Very high91.6Very high124 Ų12461.1 Ų61.154%0.53933%0.325SS..Hα-helixtrans-46.1-45.8179.4-175.1175.5179.2178.30113.3Y42 V55Y42-K51 HydrophobicContact CE2-CB 3.82Å; Y42-K51 HydrophobicContact CE2-CG 3.98Å; K51-V55 VanDerWaalsContact O-CG2 3.28Å; K51-V55 WeakPolarHBondContact O-CG2 3.08Å; K51-V55 PolarHBondContact O-N 3.04Å
52R92.5Very high91.8Very high177 Ų17760.7 Ų60.767%0.66833%0.331SS*.Hα-helixtrans-60.9-53.7179.9-174.7179.665143.31111.8C50 Y54 V55 T56C50-R52 PolarHBondContact O-N 3.49Å; C50-R52 VanDerWaalsContact O-N 3.1Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; R52-Y54 PolarHBondContact O-N 3.41Å; R52-V55 PolarHBondContact O-N 2.86Å; R52-T56 PolarHBondContact O-N 3.02Å; R52-T56 PolarHBondContact O-OG1 3.15Å
53C93.4Very high91.9Very high16 Ų1663.2 Ų63.211%0.10835%0.346CS..Hα-helixtrans-63.9-40.2-179.3-66.70000112C29 C50 T56 S57C29-C53 VanDerWaalsContact SG-SG 3.7Å; C50-C53 PolarHBondContact O-N 3.13Å; C50-C53 VanDerWaalsContact O-N 3.07Å; C50-C53 PolarHBondContact SG-N 3.38Å; C50-C53 PolarHBondContact SG-SG 3.14Å; C53-T56 PolarHBondContact O-N 3.39Å; C53-S57 WeakPolarHBondContact O-CB 3.2Å; C53-S57 PolarHBondContact O-N 3.45Å
54Y92.4Very high92.2Very high75 Ų7562.2 Ų62.229%0.29434%0.342SS..Hα-helixtrans-56.6-54.1175.3175.3-104.8000111Y42 E49 C50 R52 T56 S57 L58Y42-Y54 AromaticContact CD1-CD1 3.85Å; Y42-Y54 HydrophobicContact CD1-CD1 3.85Å; Y42-Y54 HydrophobicContact CD1-CD2 4.48Å; Y42-Y54 AromaticContact CD1-CE1 3.85Å; Y42-Y54 HydrophobicContact CD1-CE1 3.85Å; Y42-Y54 HydrophobicContact CD1-CE2 4.47Å; Y42-Y54 HydrophobicContact CD1-CG 4.18Å; Y42-Y54 HydrophobicContact CD2-CD1 4.03Å; Y42-Y54 HydrophobicContact CD2-CG 4.01Å; Y42-Y54 HydrophobicContact CE1-CD1 4.16Å; Y42-Y54 HydrophobicContact CE1-CE1 4.11Å; Y42-Y54 HydrophobicContact CE2-CD1 4.34Å; Y42-Y54 AromaticContact CG-CD1 3.79Å; Y42-Y54 HydrophobicContact CG-CD1 3.79Å; Y42-Y54 HydrophobicContact CG-CD2 4.09Å; Y42-Y54 HydrophobicContact CG-CE1 4.24Å; Y42-Y54 HydrophobicContact CG-CE2 4.5Å; Y42-Y54 AromaticContact CG-CG 3.7Å; Y42-Y54 HydrophobicContact CG-CG 3.7Å; E49-Y54 WeakPolarHBondContact OE2-CA 3.48Å; C50-Y54 WeakPolarHBondContact O-CB 3.49Å; C50-Y54 PolarHBondContact O-N 3.3Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; R52-Y54 PolarHBondContact O-N 3.41Å; Y54-T56 PolarHBondContact O-N 3.07Å; Y54-S57 WeakPolarHBondContact O-CB 3.48Å; Y54-S57 PolarHBondContact O-N 3.28Å; Y54-S57 PolarHBondContact O-OG 3.47Å; Y54-L58 HydrophobicContact CE1-CD1 4.21Å; Y54-L58 HydrophobicContact CE1-CD2 4.18Å; Y54-L58 HydrophobicContact CE2-CD2 4.33Å; Y54-L58 PolarHBondContact O-N 3.33Å
55V91.3Very high92.6Very high44 Ų4461.4 Ų61.427%0.26735%0.353SS..Hα-helixtrans-61.3-41.4179.4172.80000111.9K51 R52 S57 L58 K67K51-V55 VanDerWaalsContact O-CG2 3.28Å; K51-V55 WeakPolarHBondContact O-CG2 3.08Å; K51-V55 PolarHBondContact O-N 3.04Å; R52-V55 PolarHBondContact O-N 2.86Å; V55-S57 PolarHBondContact O-N 2.9Å; V55-L58 HydrophobicContact CG2-CD1 4.47Å; V55-L58 WeakPolarHBondContact O-CB 3.15Å; V55-L58 PolarHBondContact O-N 2.7Å; V55-L58 VanDerWaalsContact O-N 3.11Å; V55-K67 HydrophobicContact CG1-CB 4.07Å; V55-K67 HydrophobicContact CG1-CG 4.11Å; V55-K67 WeakPolarHBondContact O-CG 3.39Å
56T90.9Very high93.1Very high92 Ų9260.4 Ų60.456%0.56435%0.348SS*.Hα-helixtrans-59.8-34.1176-58.20000112R52 C53 Y54 L58 K67R52-T56 PolarHBondContact O-N 3.02Å; R52-T56 PolarHBondContact O-OG1 3.15Å; C53-T56 PolarHBondContact O-N 3.39Å; Y54-T56 PolarHBondContact O-N 3.07Å; T56-L58 VanDerWaalsContact C-N 3.27Å; T56-L58 PolarHBondContact O-N 3.44Å; T56-K67 VanDerWaalsContact O-CE 3.27Å; T56-K67 WeakPolarHBondContact O-CE 3.42Å; T56-K67 PolarHBondContact O-NZ 3.48Å; T56-K67 VanDerWaalsContact O-NZ 3.11Å
57S89.8Confident93.6Very high48 Ų4860.7 Ų60.734%0.33633%0.332SS..THydrogen-bonded Turntrans-77.2-9.1179.887.90000114.5K44 C53 Y54 V55K44-S57 VanDerWaalsContact NZ-CB 3.27Å; K44-S57 PolarHBondContact NZ-OG 3.16Å; C53-S57 WeakPolarHBondContact O-CB 3.2Å; C53-S57 PolarHBondContact O-N 3.45Å; Y54-S57 WeakPolarHBondContact O-CB 3.48Å; Y54-S57 PolarHBondContact O-N 3.28Å; Y54-S57 PolarHBondContact O-OG 3.47Å; V55-S57 PolarHBondContact O-N 2.9Å
58L92.4Very high93.9Very high29 Ų2959.3 Ų59.315%0.15232%0.322CS..SBendtrans-72.7157.7178.6-59.7175.9000111.5Y54 V55 T56 K67 I68 T69Y54-L58 HydrophobicContact CE1-CD1 4.21Å; Y54-L58 HydrophobicContact CE1-CD2 4.18Å; Y54-L58 HydrophobicContact CE2-CD2 4.33Å; Y54-L58 PolarHBondContact O-N 3.33Å; V55-L58 HydrophobicContact CG2-CD1 4.47Å; V55-L58 WeakPolarHBondContact O-CB 3.15Å; V55-L58 PolarHBondContact O-N 2.7Å; V55-L58 VanDerWaalsContact O-N 3.11Å; T56-L58 VanDerWaalsContact C-N 3.27Å; T56-L58 PolarHBondContact O-N 3.44Å; L58-K67 HydrophobicContact CB-CD 4.43Å; L58-K67 WeakPolarHBondContact O-CD 3.26Å; L58-K67 PolarHBondContact O-NZ 3.07Å; L58-I68 WeakPolarHBondContact CD1-O 3.28Å; L58-T69 HydrophobicContact CD1-CG2 3.96Å
59A95.1Very high94Very high32 Ų3263.5 Ų63.526%0.26435%0.347SS..PPolyproline II helixtrans-60.2142.6172.800000110.7I68 I72 C79A59-I68 HydrophobicContact CB-CD1 4.31Å; A59-I68 PolarHBondContact O-N 2.92Å; A59-I72 HydrophobicContact CB-CD1 4.06Å; A59-C79 HydrophobicContact CB-CB 4.07Å
60S96.9Very high93.7Very high52 Ų5266.3 Ų66.336%0.36436%0.363SS..BIsolated β-bridgetrans-93.6138.7172.6-72.90000109.8S62 K67S60-S62 PolarHBondContact O-N 3.14Å; S60-K67 PolarHBondContact OG-NZ 3.26Å
61C97.2Very high93.7Very high3 Ų372.8 Ų72.82%0.0239%0.386CS..PPolyproline II helixtrans-68.9129.3174.3178.90000110Q63 C64 G65 E66 I68 C79 H81 C84C61-Q63 PolarHBondContact O-N 2.91Å; C61-C64 VanDerWaalsContact CB-SG 3.6Å; C61-C64 VanDerWaalsContact SG-SG 3.65Å; C61-G65 VanDerWaalsContact O-CA 3.23Å; C61-G65 WeakPolarHBondContact O-CA 3.45Å; C61-G65 PolarHBondContact O-N 3.21Å; C61-E66 WeakPolarHBondContact CB-O 3.45Å; C61-E66 PolarHBondContact N-O 2.84Å; C61-I68 HydrophobicContact CB-CD1 4.26Å; C61-I68 HydrophobicContact CB-CG1 3.96Å; C61-C79 CarbonylContact C-O 3.59Å; C61-C79 WeakPolarHBondContact CA-O 3.49Å; C61-H81 VanDerWaalsContact CB-CE1 3.4Å; C61-H81 WeakPolarHBondContact CB-CE1 3.28Å; C61-H81 WeakPolarHBondContact CB-ND1 3.23Å; C61-H81 PolarHBondContact SG-N 3.3Å; C61-H81 PolarHBondContact SG-ND1 2.88Å; C61-C84 VanDerWaalsContact SG-CB 3.58Å
62S95.8Very high93.8Very high64 Ų6470.3 Ų70.345%0.44838%0.377SS..THydrogen-bonded Turntrans-75.1-11.5-177.6-58.80000113.6S60 K78 C79S60-S62 PolarHBondContact O-N 3.14Å; S62-K78 WeakPolarHBondContact OG-CB 3.32Å; S62-C79 PolarHBondContact N-O 3.4Å; S62-C79 PolarHBondContact OG-O 3.45Å
63Q95.1Very high94Very high133 Ų13362.8 Ų62.862%0.62135%0.351SS*.THydrogen-bonded Turntrans-95.2-46.4177.8-17964.911.800112.6C61 F80 C84C61-Q63 PolarHBondContact O-N 2.91Å; Q63-F80 HydrophobicContact CB-CD1 4.07Å; Q63-F80 HydrophobicContact CB-CE1 4.32Å; Q63-C84 HydrophobicContact CB-CB 3.86Å; Q63-C84 HydrophobicContact CG-CB 4.12Å
64C96.2Very high94.1Very high61 Ų6170.3 Ų70.341%0.41238%0.381SS..THydrogen-bonded Turntrans-109.8-6.2-174.872.70000114.2C61 E66 H81C61-C64 VanDerWaalsContact CB-SG 3.6Å; C61-C64 VanDerWaalsContact SG-SG 3.65Å; C64-E66 PolarHBondContact O-N 3.22Å; C64-E66 VanDerWaalsContact O-N 3.1Å; C64-H81 PolarHBondContact SG-CE1 2.9Å; C64-H81 PolarHBondContact SG-ND1 2.86Å; C64-H81 VanDerWaalsContact SG-ND1 3.42Å
65G95.3Very high94.2Very high51 Ų5167.3 Ų67.353%0.52637%0.372SS..  trans79.2-22.6-179.700000115.4C61C61-G65 VanDerWaalsContact O-CA 3.23Å; C61-G65 WeakPolarHBondContact O-CA 3.45Å; C61-G65 PolarHBondContact O-N 3.21Å
66E96.1Very high94.2Very high132 Ų13267.7 Ų67.762%0.61737%0.371SS*.  trans-67.5155.6-176.8-66.3-59.8151.800114C61 C64C61-E66 WeakPolarHBondContact CB-O 3.45Å; C61-E66 PolarHBondContact N-O 2.84Å; C64-E66 PolarHBondContact O-N 3.22Å; C64-E66 VanDerWaalsContact O-N 3.1Å
67K96.1Very high94.3Very high65 Ų6567.7 Ų67.728%0.28339%0.39SS..BIsolated β-bridgetrans-67.6134.8176-64.7-61.2-175.3-176.30111.2V55 T56 L58 S60 T69 H81V55-K67 HydrophobicContact CG1-CB 4.07Å; V55-K67 HydrophobicContact CG1-CG 4.11Å; V55-K67 WeakPolarHBondContact O-CG 3.39Å; T56-K67 VanDerWaalsContact O-CE 3.27Å; T56-K67 WeakPolarHBondContact O-CE 3.42Å; T56-K67 PolarHBondContact O-NZ 3.48Å; T56-K67 VanDerWaalsContact O-NZ 3.11Å; L58-K67 HydrophobicContact CB-CD 4.43Å; L58-K67 WeakPolarHBondContact O-CD 3.26Å; L58-K67 PolarHBondContact O-NZ 3.07Å; S60-K67 PolarHBondContact OG-NZ 3.26Å; K67-T69 PolarHBondContact O-N 2.86Å; K67-H81 PolarHBondContact O-NE2 3.45Å
68I95.8Very high94.6Very high3 Ų370 Ų702%0.01539%0.394CS..  trans-84.9105.8176.6-52.9166.7000107.8L58 A59 C61 D70 I72 C79L58-I68 WeakPolarHBondContact CD1-O 3.28Å; A59-I68 HydrophobicContact CB-CD1 4.31Å; A59-I68 PolarHBondContact O-N 2.92Å; C61-I68 HydrophobicContact CB-CD1 4.26Å; C61-I68 HydrophobicContact CB-CG1 3.96Å; I68-D70 VanDerWaalsContact CG2-OD1 3.3Å; I68-D70 WeakPolarHBondContact CG2-OD1 3.41Å; I68-I72 HydrophobicContact CB-CG1 4.06Å; I68-I72 HydrophobicContact CD1-CG1 4.39Å; I68-I72 HydrophobicContact CD1-CG2 4.22Å; I68-I72 HydrophobicContact CG2-CB 4.37Å; I68-I72 HydrophobicContact CG2-CG1 3.65Å; I68-C79 HydrophobicContact CD1-CB 3.81Å
69T92.3Very high94.8Very high106 Ų10670 Ų7065%0.6540%0.396SS*.  trans-98-14.8-17954.30000112.9L58 K67L58-T69 HydrophobicContact CD1-CG2 3.96Å; K67-T69 PolarHBondContact O-N 2.86Å
70D88.8Confident94.8Very high72 Ų7269.1 Ų69.139%0.38539%0.386SS..SBendtrans-103.3-153.9176.959.6-18.5000110.7I68 I72 H81I68-D70 VanDerWaalsContact CG2-OD1 3.3Å; I68-D70 WeakPolarHBondContact CG2-OD1 3.41Å; D70-I72 PolarHBondContact O-N 2.88Å; D70-H81 IonicContact OD1-CD2 3.36Å; D70-H81 PolarHBondContact OD1-CD2 3.16Å
71R92.5Very high94.9Very high150 Ų15067.5 Ų67.557%0.56637%0.373SS*.PPolyproline II helixtrans-66.1120.4-179.7-171.3179.979.5-166.24.6110.5L73 D95R71-L73 PolarHBondContact O-N 3.02Å; R71-D95 IonicContact CZ-OD2 3.88Å; R71-D95 IonicContact NH2-OD1 2.87Å; R71-D95 PolarHBondContact NH2-OD1 2.88Å; R71-D95 IonicContact NH2-OD2 2.68Å; R71-D95 PolarHBondContact NH2-OD2 3.47Å
72I94.8Very high94.8Very high71 Ų7168.8 Ų68.836%0.36438%0.381SS..EExtended strand (participates in β ladder)trans-75.1124173.2-58.9170.5000109.5A59 I68 D70 K74 C79A59-I72 HydrophobicContact CB-CD1 4.06Å; I68-I72 HydrophobicContact CB-CG1 4.06Å; I68-I72 HydrophobicContact CD1-CG1 4.39Å; I68-I72 HydrophobicContact CD1-CG2 4.22Å; I68-I72 HydrophobicContact CG2-CB 4.37Å; I68-I72 HydrophobicContact CG2-CG1 3.65Å; D70-I72 PolarHBondContact O-N 2.88Å; I72-K74 HydrophobicContact CG2-CG 4.04Å; I72-C79 HydrophobicContact CG2-CB 4.04Å
73L95.5Very high94.7Very high20 Ų2074.3 Ų74.311%0.10539%0.392CS..EExtended strand (participates in β ladder)trans-94.5124.3165.8-170.9155000108.5R71 A75 C79 F80 V82 F85 D95R71-L73 PolarHBondContact O-N 3.02Å; L73-A75 HydrophobicContact CD2-CB 3.68Å; L73-C79 CarbonylContact O-C 3.48Å; L73-C79 WeakPolarHBondContact O-CA 3.1Å; L73-F80 HydrophobicContact CD2-CD2 4.44Å; L73-F80 PolarHBondContact N-O 2.92Å; L73-F80 PolarHBondContact O-N 3.16Å; L73-V82 HydrophobicContact CB-CG2 4.49Å; L73-F85 HydrophobicContact CD1-CB 4.05Å; L73-F85 HydrophobicContact CD1-CD1 4.05Å; L73-F85 HydrophobicContact CD1-CG 4.28Å; L73-F85 HydrophobicContact CD2-CB 4.02Å; L73-F85 HydrophobicContact CD2-CD1 3.75Å; L73-F85 HydrophobicContact CD2-CD2 4.12Å; L73-F85 HydrophobicContact CD2-CE1 4.27Å; L73-F85 HydrophobicContact CD2-CG 3.67Å; L73-D95 HydrophobicContact CD1-CB 4.4Å
74K95.3Very high94.8Very high173 Ų17368.9 Ų68.975%0.75237%0.368SS*.EExtended strand (participates in β ladder)trans-106119175.4-66.1-175.9-178.8-179.70109.4I72 K78I72-K74 HydrophobicContact CG2-CG 4.04Å; K74-K78 WeakPolarHBondContact CA-O 3.29Å
75A94.2Very high94.9Very high12 Ų1266.1 Ų66.110%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-149.8146.9178.400000109.6L73 G77 K78 F85 F99L73-A75 HydrophobicContact CD2-CB 3.68Å; A75-G77 PolarHBondContact O-N 3.15Å; A75-G77 VanDerWaalsContact O-N 3.11Å; A75-K78 PolarHBondContact N-O 3.49Å; A75-K78 WeakPolarHBondContact O-CA 3.28Å; A75-K78 PolarHBondContact O-N 2.92Å; A75-K78 VanDerWaalsContact O-O 3.12Å; A75-F85 HydrophobicContact CB-CD2 4.22Å; A75-F85 HydrophobicContact CB-CE1 4.05Å; A75-F85 HydrophobicContact CB-CE2 3.53Å; A75-F85 HydrophobicContact CB-CZ 3.44Å; A75-F85 VanDerWaalsContact CB-CZ 3.44Å; A75-F99 HydrophobicContact CB-CZ 4.16Å
76M93.1Very high95Very high52 Ų5266.3 Ų66.326%0.25634%0.338SS..THydrogen-bonded Turntrans52.937175.8-52173.763.600113.2K78 F85 F99 A101 N105 P107M76-K78 PolarHBondContact O-N 3.06Å; M76-F85 HydrophobicContact SD-CE2 4.37Å; M76-F99 HydrophobicContact CG-CE2 3.87Å; M76-F99 HydrophobicContact CG-CZ 4.3Å; M76-F99 HydrophobicContact SD-CE2 4.02Å; M76-A101 HydrophobicContact CE-CB 3.54Å; M76-A101 HydrophobicContact CG-CB 4.3Å; M76-A101 HydrophobicContact SD-CB 4.17Å; M76-N105 HydrophobicContact CE-CB 4.4Å; M76-N105 WeakPolarHBondContact CE-O 3.37Å; M76-P107 HydrophobicContact SD-CB 3.83Å; M76-P107 HydrophobicContact SD-CG 4.35Å
77G92.3Very high95Very high92 Ų9260.1 Ų60.195%0.94831%0.309SS*.THydrogen-bonded Turntrans69.26.2-176.500000115.6A75A75-G77 PolarHBondContact O-N 3.15Å; A75-G77 VanDerWaalsContact O-N 3.11Å
78K95.1Very high95Very high96 Ų9659.4 Ų59.442%0.41731%0.313SS..EExtended strand (participates in β ladder)trans-120.4164-174-71.7175.4-174.5175.20111.7S62 K74 A75 M76 F80S62-K78 WeakPolarHBondContact OG-CB 3.32Å; K74-K78 WeakPolarHBondContact CA-O 3.29Å; A75-K78 PolarHBondContact N-O 3.49Å; A75-K78 WeakPolarHBondContact O-CA 3.28Å; A75-K78 PolarHBondContact O-N 2.92Å; A75-K78 VanDerWaalsContact O-O 3.12Å; M76-K78 PolarHBondContact O-N 3.06Å; K78-F80 HydrophobicContact CB-CD2 4.33Å; K78-F80 HydrophobicContact CB-CE2 3.45Å; K78-F80 VanDerWaalsContact CB-CE2 3.45Å; K78-F80 HydrophobicContact CB-CZ 3.71Å; K78-F80 HydrophobicContact CD-CZ 4.06Å
79C96.6Very high95Very high31 Ų3162.5 Ų62.521%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-108.5138.1175.7-64.80000110.4A59 C61 S62 I68 I72 L73A59-C79 HydrophobicContact CB-CB 4.07Å; C61-C79 CarbonylContact C-O 3.59Å; C61-C79 WeakPolarHBondContact CA-O 3.49Å; S62-C79 PolarHBondContact N-O 3.4Å; S62-C79 PolarHBondContact OG-O 3.45Å; I68-C79 HydrophobicContact CD1-CB 3.81Å; I72-C79 HydrophobicContact CG2-CB 4.04Å; L73-C79 CarbonylContact O-C 3.48Å; L73-C79 WeakPolarHBondContact O-CA 3.1Å
80F96.9Very high95.2Very high13 Ų1360.6 Ų60.66%0.05732%0.322CS..EExtended strand (participates in β ladder)trans-138.1153.6-179.8-58.5-90.3000110.9Q63 L73 K78 F85Q63-F80 HydrophobicContact CB-CD1 4.07Å; Q63-F80 HydrophobicContact CB-CE1 4.32Å; L73-F80 HydrophobicContact CD2-CD2 4.44Å; L73-F80 PolarHBondContact N-O 2.92Å; L73-F80 PolarHBondContact O-N 3.16Å; K78-F80 HydrophobicContact CB-CD2 4.33Å; K78-F80 HydrophobicContact CB-CE2 3.45Å; K78-F80 VanDerWaalsContact CB-CE2 3.45Å; K78-F80 HydrophobicContact CB-CZ 3.71Å; K78-F80 HydrophobicContact CD-CZ 4.06Å; F80-F85 HydrophobicContact CB-CB 4.09Å; F80-F85 HydrophobicContact CB-CD2 4.48Å; F80-F85 HydrophobicContact CD1-CD2 4.33Å; F80-F85 AromaticContact CD2-CD2 3.71Å; F80-F85 HydrophobicContact CD2-CD2 3.71Å; F80-F85 HydrophobicContact CD2-CE2 4.26Å; F80-F85 HydrophobicContact CE1-CD2 4.5Å; F80-F85 AromaticContact CE2-CD2 3.91Å; F80-F85 HydrophobicContact CE2-CD2 3.91Å; F80-F85 HydrophobicContact CE2-CE2 4.07Å; F80-F85 HydrophobicContact CG-CB 4.39Å; F80-F85 AromaticContact CG-CD2 3.93Å; F80-F85 HydrophobicContact CG-CD2 3.93Å; F80-F85 HydrophobicContact CZ-CD2 4.31Å
81H97.1Very high95.6Very high17 Ų1761.3 Ų61.38%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-66148.1154.3-56.2100.3000108.9C61 C64 K67 D70 R83 C84 F85C61-H81 VanDerWaalsContact CB-CE1 3.4Å; C61-H81 WeakPolarHBondContact CB-CE1 3.28Å; C61-H81 WeakPolarHBondContact CB-ND1 3.23Å; C61-H81 PolarHBondContact SG-N 3.3Å; C61-H81 PolarHBondContact SG-ND1 2.88Å; C64-H81 PolarHBondContact SG-CE1 2.9Å; C64-H81 PolarHBondContact SG-ND1 2.86Å; C64-H81 VanDerWaalsContact SG-ND1 3.42Å; K67-H81 PolarHBondContact O-NE2 3.45Å; D70-H81 IonicContact OD1-CD2 3.36Å; D70-H81 PolarHBondContact OD1-CD2 3.16Å; H81-R83 HydrophobicContact CB-CG 4.04Å; H81-R83 PolarHBondContact O-N 3.24Å; H81-C84 HydrophobicContact CB-CB 3.96Å; H81-C84 WeakPolarHBondContact O-CA 3.48Å; H81-C84 WeakPolarHBondContact O-CB 3.48Å; H81-C84 PolarHBondContact O-N 3.04Å; H81-F85 PolarHBondContact O-N 2.79Å
82V95.1Very high95.8Very high31 Ų3156.4 Ų56.419%0.18832%0.32CS..G310 helixtrans-51.4-45.9174.1175.80000111.3L73 C84 F85 D95L73-V82 HydrophobicContact CB-CG2 4.49Å; V82-C84 PolarHBondContact O-N 2.7Å; V82-F85 PolarHBondContact O-N 3.34Å; V82-D95 HydrophobicContact CG1-CB 3.68Å; V82-D95 WeakPolarHBondContact CG1-OD2 3.37Å
83R95.3Very high95.8Very high180 Ų18056.8 Ų56.868%0.67933%0.326SS*.G310 helixtrans-67.4-16.7177.877.5-17782.3-172.84114.9H81 L86H81-R83 HydrophobicContact CB-CG 4.04Å; H81-R83 PolarHBondContact O-N 3.24Å; R83-L86 VanDerWaalsContact O-CD2 3.28Å; R83-L86 WeakPolarHBondContact O-CD2 3.4Å; R83-L86 WeakPolarHBondContact O-CG 3.23Å
84C96.8Very high95.9Very high19 Ų1956 Ų5613%0.12832%0.322CS..G310 helixtrans-100.5-10.2-175.9-72.50000112.4C61 Q63 H81 V82 L86C61-C84 VanDerWaalsContact SG-CB 3.58Å; Q63-C84 HydrophobicContact CB-CB 3.86Å; Q63-C84 HydrophobicContact CG-CB 4.12Å; H81-C84 HydrophobicContact CB-CB 3.96Å; H81-C84 WeakPolarHBondContact O-CA 3.48Å; H81-C84 WeakPolarHBondContact O-CB 3.48Å; H81-C84 PolarHBondContact O-N 3.04Å; V82-C84 PolarHBondContact O-N 2.7Å; C84-L86 PolarHBondContact O-N 3.11Å
85F97.4Very high95.8Very high3 Ų350.8 Ų50.81%0.01330%0.302CS..  trans-8982.1174.6-165.8-114.3000109.4L73 A75 M76 F80 H81 V82 L94 F99 P107L73-F85 HydrophobicContact CD1-CB 4.05Å; L73-F85 HydrophobicContact CD1-CD1 4.05Å; L73-F85 HydrophobicContact CD1-CG 4.28Å; L73-F85 HydrophobicContact CD2-CB 4.02Å; L73-F85 HydrophobicContact CD2-CD1 3.75Å; L73-F85 HydrophobicContact CD2-CD2 4.12Å; L73-F85 HydrophobicContact CD2-CE1 4.27Å; L73-F85 HydrophobicContact CD2-CG 3.67Å; A75-F85 HydrophobicContact CB-CD2 4.22Å; A75-F85 HydrophobicContact CB-CE1 4.05Å; A75-F85 HydrophobicContact CB-CE2 3.53Å; A75-F85 HydrophobicContact CB-CZ 3.44Å; A75-F85 VanDerWaalsContact CB-CZ 3.44Å; M76-F85 HydrophobicContact SD-CE2 4.37Å; F80-F85 HydrophobicContact CB-CB 4.09Å; F80-F85 HydrophobicContact CB-CD2 4.48Å; F80-F85 HydrophobicContact CD1-CD2 4.33Å; F80-F85 AromaticContact CD2-CD2 3.71Å; F80-F85 HydrophobicContact CD2-CD2 3.71Å; F80-F85 HydrophobicContact CD2-CE2 4.26Å; F80-F85 HydrophobicContact CE1-CD2 4.5Å; F80-F85 AromaticContact CE2-CD2 3.91Å; F80-F85 HydrophobicContact CE2-CD2 3.91Å; F80-F85 HydrophobicContact CE2-CE2 4.07Å; F80-F85 HydrophobicContact CG-CB 4.39Å; F80-F85 AromaticContact CG-CD2 3.93Å; F80-F85 HydrophobicContact CG-CD2 3.93Å; F80-F85 HydrophobicContact CZ-CD2 4.31Å; H81-F85 PolarHBondContact O-N 2.79Å; V82-F85 PolarHBondContact O-N 3.34Å; F85-L94 HydrophobicContact CD1-CB 3.65Å; F85-L94 HydrophobicContact CE1-CB 3.68Å; F85-L94 HydrophobicContact CE1-CD1 4.19Å; F85-L94 PolarHBondContact O-N 3.32Å; F85-F99 AromaticContact CE1-CD1 3.9Å; F85-F99 HydrophobicContact CE1-CD1 3.9Å; F85-F99 HydrophobicContact CE1-CD2 4.49Å; F85-F99 AromaticContact CE1-CE1 3.9Å; F85-F99 HydrophobicContact CE1-CE1 3.9Å; F85-F99 HydrophobicContact CE1-CG 4.22Å; F85-F99 HydrophobicContact CE1-CZ 4.21Å; F85-F99 HydrophobicContact CZ-CD1 4.14Å; F85-F99 HydrophobicContact CZ-CD2 4.01Å; F85-F99 AromaticContact CZ-CE1 3.9Å; F85-F99 HydrophobicContact CZ-CE1 3.9Å; F85-F99 AromaticContact CZ-CE2 3.78Å; F85-F99 HydrophobicContact CZ-CE2 3.78Å; F85-F99 HydrophobicContact CZ-CG 4.2Å; F85-F99 AromaticContact CZ-CZ 3.73Å; F85-F99 HydrophobicContact CZ-CZ 3.73Å; F85-P107 HydrophobicContact CD2-CG 4.36Å; F85-P107 HydrophobicContact CE2-CB 3.79Å; F85-P107 HydrophobicContact CE2-CG 3.89Å; F85-P107 HydrophobicContact CZ-CB 3.81Å; F85-P107 HydrophobicContact CZ-CG 4.4Å
86L97.5Very high95.6Very high54 Ų5454.1 Ų54.128%0.28334%0.337SS..BIsolated β-bridgetrans-114152.3-172-55.1179.9000111.3R83 C84 S88 C92 T93 P107R83-L86 VanDerWaalsContact O-CD2 3.28Å; R83-L86 WeakPolarHBondContact O-CD2 3.4Å; R83-L86 WeakPolarHBondContact O-CG 3.23Å; C84-L86 PolarHBondContact O-N 3.11Å; L86-S88 PolarHBondContact O-N 3.09Å; L86-C92 CarbonylContact C-O 3.58Å; L86-C92 WeakPolarHBondContact CA-O 3.44Å; L86-T93 HydrophobicContact CD2-CG2 3.63Å; L86-P107 WeakPolarHBondContact O-CG 3.14Å
87C97.3Very high95.6Very high2 Ų256.2 Ų56.21%0.01435%0.349CS..  trans-60.3133.8168175.30000110.6T89 C90 C91 C92 L94 C109 D112C87-T89 PolarHBondContact O-N 2.83Å; C87-T89 VanDerWaalsContact O-N 3.14Å; C87-T89 PolarHBondContact SG-N 2.91Å; C87-T89 VanDerWaalsContact SG-N 3.41Å; C87-C90 VanDerWaalsContact SG-SG 3.64Å; C87-C91 WeakPolarHBondContact O-CA 3.37Å; C87-C91 PolarHBondContact O-N 2.9Å; C87-C92 PolarHBondContact N-O 3.03Å; C87-L94 HydrophobicContact CB-CD1 4.38Å; C87-L94 HydrophobicContact CB-CD2 4.27Å; C87-L94 HydrophobicContact CB-CG 4.44Å; C87-C109 HydrophobicContact CB-CB 4.19Å; C87-C109 PolarHBondContact SG-N 3.37Å; C87-D112 PolarHBondContact SG-OD2 2.92Å
88S96.4Very high95.6Very high51 Ų5156.6 Ų56.636%0.35733%0.334SS..THydrogen-bonded Turntrans-73.6-2.5-177.6-57.30000114.7L86 K106 P107L86-S88 PolarHBondContact O-N 3.09Å; S88-K106 WeakPolarHBondContact OG-CB 3.21Å; S88-P107 WeakPolarHBondContact CB-O 3.2Å; S88-P107 PolarHBondContact N-O 3.25Å; S88-P107 PolarHBondContact OG-O 3.27Å
89T95.6Very high95.6Very high67 Ų6755.5 Ų55.541%0.41133%0.33SS..THydrogen-bonded Turntrans-113.6-64.9178.6-64.80000110.8C87 D112C87-T89 PolarHBondContact O-N 2.83Å; C87-T89 VanDerWaalsContact O-N 3.14Å; C87-T89 PolarHBondContact SG-N 2.91Å; C87-T89 VanDerWaalsContact SG-N 3.41Å; T89-D112 VanDerWaalsContact CB-OD2 3.26Å; T89-D112 WeakPolarHBondContact CB-OD2 3.37Å; T89-D112 HydrophobicContact CG2-CB 4.03Å; T89-D112 WeakPolarHBondContact CG2-OD2 3.45Å
90C96.5Very high95.4Very high67 Ų6756.1 Ų56.145%0.45333%0.331SS..THydrogen-bonded Turntrans-88.4-4.1-179.465.20000115.7C87 C92 D112C87-C90 VanDerWaalsContact SG-SG 3.64Å; C90-C92 PolarHBondContact O-N 3.21Å; C90-C92 VanDerWaalsContact O-N 3.12Å; C90-C92 PolarHBondContact SG-SG 2.98Å; C90-D112 WeakPolarHBondContact CB-OD2 3.22Å; C90-D112 PolarHBondContact N-OD2 2.92Å; C90-D112 PolarHBondContact SG-OD2 3.44Å
91C96.3Very high95.3Very high86 Ų8657.9 Ų57.958%0.58135%0.347SS*.  trans60.615.4-177.9-60.10000115.5C87C87-C91 WeakPolarHBondContact O-CA 3.37Å; C87-C91 PolarHBondContact O-N 2.9Å
92C95.8Very high95Very high48 Ų4857.3 Ų57.332%0.32435%0.347SS..  trans-68.5150174.175.20000111.4L86 C87 C90L86-C92 CarbonylContact C-O 3.58Å; L86-C92 WeakPolarHBondContact CA-O 3.44Å; C87-C92 PolarHBondContact N-O 3.03Å; C90-C92 PolarHBondContact O-N 3.21Å; C90-C92 VanDerWaalsContact O-N 3.12Å; C90-C92 PolarHBondContact SG-SG 2.98Å
93T95.8Very high94.8Very high79 Ų7965.1 Ų65.149%0.48538%0.381SS..BIsolated β-bridgetrans-71.4131.6176.660.30000110.6L86 L97L86-T93 HydrophobicContact CD2-CG2 3.63Å; T93-L97 WeakPolarHBondContact O-CD1 3.46Å
94L96.7Very high94.6Very high4 Ų460 Ų602%0.02137%0.367CS..  trans-98.412.8-179.4-61.7172.2000113.2F85 C87 G96 L97 F99 P107 C109F85-L94 HydrophobicContact CD1-CB 3.65Å; F85-L94 HydrophobicContact CE1-CB 3.68Å; F85-L94 HydrophobicContact CE1-CD1 4.19Å; F85-L94 PolarHBondContact O-N 3.32Å; C87-L94 HydrophobicContact CB-CD1 4.38Å; C87-L94 HydrophobicContact CB-CD2 4.27Å; C87-L94 HydrophobicContact CB-CG 4.44Å; L94-G96 PolarHBondContact O-N 3.42Å; L94-L97 PolarHBondContact O-N 3.25Å; L94-F99 HydrophobicContact CB-CB 4.43Å; L94-F99 HydrophobicContact CD1-CB 3.86Å; L94-F99 HydrophobicContact CD1-CG 4.42Å; L94-F99 HydrophobicContact CD2-CB 4.15Å; L94-F99 HydrophobicContact CG-CB 4.38Å; L94-P107 HydrophobicContact CD1-CB 3.72Å; L94-P107 HydrophobicContact CD1-CG 4.4Å; L94-C109 HydrophobicContact CD2-CB 3.83Å
95D94.4Very high94.3Very high63 Ų6364.3 Ų64.334%0.33739%0.389SS..THydrogen-bonded Turntrans-66.2115.7177.6-172.245000110.9R71 L73 V82 L97R71-D95 IonicContact CZ-OD2 3.88Å; R71-D95 IonicContact NH2-OD1 2.87Å; R71-D95 PolarHBondContact NH2-OD1 2.88Å; R71-D95 IonicContact NH2-OD2 2.68Å; R71-D95 PolarHBondContact NH2-OD2 3.47Å; L73-D95 HydrophobicContact CD1-CB 4.4Å; V82-D95 HydrophobicContact CG1-CB 3.68Å; V82-D95 WeakPolarHBondContact CG1-OD2 3.37Å; D95-L97 PolarHBondContact O-N 3.41Å
96G90.4Very high94.1Very high81 Ų8169.3 Ų69.384%0.83541%0.41SS*.THydrogen-bonded Turntrans72.62.2-177.400000115.1L94L94-G96 PolarHBondContact O-N 3.42Å
97L92.2Very high94Very high97 Ų9767.5 Ų67.551%0.50840%0.402SS..SBendtrans-100.9146.7175.5-63.2-177.4000110.8T93 L94 D95T93-L97 WeakPolarHBondContact O-CD1 3.46Å; L94-L97 PolarHBondContact O-N 3.25Å; D95-L97 PolarHBondContact O-N 3.41Å
98P91.8Very high94Very high99 Ų9967.6 Ų67.664%0.64340%0.402SS*.  trans-62.5139.917128-34000109.9V110P98-V110 HydrophobicContact CB-CG2 3.94Å; P98-V110 HydrophobicContact CG-CG2 4.11Å
99F95.3Very high93.9Very high73 Ų7366 Ų6632%0.3239%0.391SS..EExtended strand (participates in β ladder)trans-142.2160.2178.676.7-88.1000110.1A75 M76 F85 L94 P107 Y108A75-F99 HydrophobicContact CB-CZ 4.16Å; M76-F99 HydrophobicContact CG-CE2 3.87Å; M76-F99 HydrophobicContact CG-CZ 4.3Å; M76-F99 HydrophobicContact SD-CE2 4.02Å; F85-F99 AromaticContact CE1-CD1 3.9Å; F85-F99 HydrophobicContact CE1-CD1 3.9Å; F85-F99 HydrophobicContact CE1-CD2 4.49Å; F85-F99 AromaticContact CE1-CE1 3.9Å; F85-F99 HydrophobicContact CE1-CE1 3.9Å; F85-F99 HydrophobicContact CE1-CG 4.22Å; F85-F99 HydrophobicContact CE1-CZ 4.21Å; F85-F99 HydrophobicContact CZ-CD1 4.14Å; F85-F99 HydrophobicContact CZ-CD2 4.01Å; F85-F99 AromaticContact CZ-CE1 3.9Å; F85-F99 HydrophobicContact CZ-CE1 3.9Å; F85-F99 AromaticContact CZ-CE2 3.78Å; F85-F99 HydrophobicContact CZ-CE2 3.78Å; F85-F99 HydrophobicContact CZ-CG 4.2Å; F85-F99 AromaticContact CZ-CZ 3.73Å; F85-F99 HydrophobicContact CZ-CZ 3.73Å; L94-F99 HydrophobicContact CB-CB 4.43Å; L94-F99 HydrophobicContact CD1-CB 3.86Å; L94-F99 HydrophobicContact CD1-CG 4.42Å; L94-F99 HydrophobicContact CD2-CB 4.15Å; L94-F99 HydrophobicContact CG-CB 4.38Å; F99-P107 HydrophobicContact CD2-CB 4.18Å; F99-Y108 WeakPolarHBondContact CA-O 3.49Å; F99-Y108 WeakPolarHBondContact CB-O 3.42Å
100I93.2Very high93.8Very high45 Ų4565.4 Ų65.423%0.23139%0.387CS..EExtended strand (participates in β ladder)trans-118.7133.6176.2-58.6172.2000108.5Y108 V110 Y113I100-Y108 PolarHBondContact N-O 3.3Å; I100-Y108 PolarHBondContact O-N 3.22Å; I100-V110 HydrophobicContact CG1-CG2 4.46Å; I100-Y113 HydrophobicContact CB-CD1 4.13Å; I100-Y113 HydrophobicContact CB-CD2 3.89Å; I100-Y113 HydrophobicContact CB-CE2 4.32Å; I100-Y113 HydrophobicContact CB-CG 3.78Å; I100-Y113 HydrophobicContact CD1-CD1 3.42Å; I100-Y113 VanDerWaalsContact CD1-CD1 3.42Å; I100-Y113 HydrophobicContact CD1-CE1 4.05Å; I100-Y113 HydrophobicContact CD1-CG 3.79Å; I100-Y113 HydrophobicContact CG1-CD1 4.35Å; I100-Y113 HydrophobicContact CG1-CG 4.36Å; I100-Y113 HydrophobicContact CG2-CD1 3.87Å; I100-Y113 HydrophobicContact CG2-CD2 3.63Å; I100-Y113 HydrophobicContact CG2-CE1 3.77Å; I100-Y113 HydrophobicContact CG2-CE2 3.54Å; I100-Y113 HydrophobicContact CG2-CG 3.8Å
101A94.8Very high93.4Very high49 Ų4969.1 Ų69.141%0.40540%0.397SS..EExtended strand (participates in β ladder)trans-81.2116.3169.600000109M76M76-A101 HydrophobicContact CE-CB 3.54Å; M76-A101 HydrophobicContact CG-CB 4.3Å; M76-A101 HydrophobicContact SD-CB 4.17Å
102G91.3Very high93.3Very high6 Ų665.8 Ų65.86%0.06237%0.374CS..  trans-70.1166173.400000112.8D104 N105 K106G102-D104 PolarHBondContact O-N 3.09Å; G102-N105 WeakPolarHBondContact O-CA 3.33Å; G102-N105 PolarHBondContact O-N 3.35Å; G102-K106 PolarHBondContact N-O 2.92Å
103E89.8Confident93.2Very high195 Ų19566 Ų6691%0.91137%0.368SS*.THydrogen-bonded Turntrans-59.2-25.7174.7-63.8-178.217400112.3N105E103-N105 PolarHBondContact O-N 3.26Å
104D90.8Very high93Very high73 Ų7363.9 Ų63.939%0.3935%0.353SS..THydrogen-bonded Turntrans-77.46.6173.864.3-9.6000113.8G102 K106 Y108G102-D104 PolarHBondContact O-N 3.09Å; D104-K106 HydrophobicContact CB-CG 4.36Å; D104-K106 PolarHBondContact O-N 3.03Å; D104-K106 WeakPolarHBondContact OD1-CB 3.41Å; D104-K106 PolarHBondContact OD1-N 2.7Å; D104-K106 VanDerWaalsContact OD1-N 3.09Å; D104-K106 WeakPolarHBondContact OD2-CD 3.45Å; D104-K106 WeakPolarHBondContact OD2-CG 3.03Å; D104-Y108 WeakPolarHBondContact OD1-CE2 3.16Å; D104-Y108 PolarHBondContact OD2-OH 3.49Å
105N90.4Very high92.5Very high109 Ų10969.4 Ų69.458%0.58338%0.379SS*.SBendtrans54.133.7-173.3-74.5-62000113.2M76 G102 E103M76-N105 HydrophobicContact CE-CB 4.4Å; M76-N105 WeakPolarHBondContact CE-O 3.37Å; G102-N105 WeakPolarHBondContact O-CA 3.33Å; G102-N105 PolarHBondContact O-N 3.35Å; E103-N105 PolarHBondContact O-N 3.26Å
106K93.5Very high92.2Very high107 Ų10773.9 Ų73.947%0.46539%0.391SS..  trans-107.8144.8172-62.5-169.6-173171.60111.6S88 G102 D104 Y108S88-K106 WeakPolarHBondContact OG-CB 3.21Å; G102-K106 PolarHBondContact N-O 2.92Å; D104-K106 HydrophobicContact CB-CG 4.36Å; D104-K106 PolarHBondContact O-N 3.03Å; D104-K106 WeakPolarHBondContact OD1-CB 3.41Å; D104-K106 PolarHBondContact OD1-N 2.7Å; D104-K106 VanDerWaalsContact OD1-N 3.09Å; D104-K106 WeakPolarHBondContact OD2-CD 3.45Å; D104-K106 WeakPolarHBondContact OD2-CG 3.03Å; K106-Y108 HydrophobicContact CB-CE2 3.84Å; K106-Y108 VanDerWaalsContact O-CD2 3.22Å; K106-Y108 WeakPolarHBondContact O-CD2 3.44Å; K106-Y108 WeakPolarHBondContact O-CE2 3.47Å
107P96.1Very high92.1Very high17 Ų1774.5 Ų74.511%0.1137%0.371CS..EExtended strand (participates in β ladder)trans-81.2136.3177.732.2-34.4000111M76 F85 L86 S88 L94 F99M76-P107 HydrophobicContact SD-CB 3.83Å; M76-P107 HydrophobicContact SD-CG 4.35Å; F85-P107 HydrophobicContact CD2-CG 4.36Å; F85-P107 HydrophobicContact CE2-CB 3.79Å; F85-P107 HydrophobicContact CE2-CG 3.89Å; F85-P107 HydrophobicContact CZ-CB 3.81Å; F85-P107 HydrophobicContact CZ-CG 4.4Å; L86-P107 WeakPolarHBondContact O-CG 3.14Å; S88-P107 WeakPolarHBondContact CB-O 3.2Å; S88-P107 PolarHBondContact N-O 3.25Å; S88-P107 PolarHBondContact OG-O 3.27Å; L94-P107 HydrophobicContact CD1-CB 3.72Å; L94-P107 HydrophobicContact CD1-CG 4.4Å; F99-P107 HydrophobicContact CD2-CB 4.18Å
108Y96.5Very high92Very high4 Ų470.7 Ų70.72%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-127.1143.5175-64-89.4000109.9F99 I100 D104 K106 Y113 F117F99-Y108 WeakPolarHBondContact CA-O 3.49Å; F99-Y108 WeakPolarHBondContact CB-O 3.42Å; I100-Y108 PolarHBondContact N-O 3.3Å; I100-Y108 PolarHBondContact O-N 3.22Å; D104-Y108 WeakPolarHBondContact OD1-CE2 3.16Å; D104-Y108 PolarHBondContact OD2-OH 3.49Å; K106-Y108 HydrophobicContact CB-CE2 3.84Å; K106-Y108 VanDerWaalsContact O-CD2 3.22Å; K106-Y108 WeakPolarHBondContact O-CD2 3.44Å; K106-Y108 WeakPolarHBondContact O-CE2 3.47Å; Y108-Y113 HydrophobicContact CD2-CD2 4.06Å; Y108-Y113 HydrophobicContact CG-CD2 4.21Å; Y108-F117 HydrophobicContact CD1-CE2 4.42Å; Y108-F117 HydrophobicContact CD2-CE2 4.36Å; Y108-F117 HydrophobicContact CE1-CE2 4.25Å; Y108-F117 HydrophobicContact CE1-CZ 4.49Å; Y108-F117 HydrophobicContact CE2-CE2 4.2Å; Y108-F117 HydrophobicContact CE2-CZ 4.43Å; Y108-F117 HydrophobicContact CG-CE2 4.48Å
109C95.6Very high92Very high17 Ų1767.9 Ų67.912%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-65.1153.616574.20000108.6C87 L94 Q111 D112 Y113C87-C109 HydrophobicContact CB-CB 4.19Å; C87-C109 PolarHBondContact SG-N 3.37Å; L94-C109 HydrophobicContact CD2-CB 3.83Å; C109-Q111 PolarHBondContact O-N 3.41Å; C109-D112 PolarHBondContact O-N 3.03Å; C109-D112 VanDerWaalsContact SG-CB 3.54Å; C109-D112 PolarHBondContact SG-N 3.18Å; C109-D112 PolarHBondContact SG-OD2 3.29Å; C109-Y113 WeakPolarHBondContact O-CB 3.26Å; C109-Y113 PolarHBondContact O-N 2.99Å
110V91.8Very high91.9Very high54 Ų5470.4 Ų70.433%0.32735%0.346SS..Hα-helixtrans-53.8-41.8-177.6173.90000111.3P98 I100 H114P98-V110 HydrophobicContact CB-CG2 3.94Å; P98-V110 HydrophobicContact CG-CG2 4.11Å; I100-V110 HydrophobicContact CG1-CG2 4.46Å; V110-H114 WeakPolarHBondContact O-CB 3.2Å; V110-H114 PolarHBondContact O-CD2 3.38Å; V110-H114 PolarHBondContact O-N 2.91Å
111Q90.1Very high91.8Very high145 Ų14568.3 Ų68.368%0.67834%0.336SS*.Hα-helixtrans-62.2-56.3179.6-179.5178.2-19.600112.7C109 Y113 H114 Q115C109-Q111 PolarHBondContact O-N 3.41Å; Q111-Y113 VanDerWaalsContact C-N 3.3Å; Q111-Y113 PolarHBondContact O-N 3.18Å; Q111-H114 PolarHBondContact O-N 2.68Å; Q111-Q115 WeakPolarHBondContact O-CB 3.36Å; Q111-Q115 PolarHBondContact O-N 2.97Å
112D93.9Very high91.5Very high16 Ų1668.1 Ų68.19%0.08633%0.327CS..Hα-helixtrans-65.8-36.3-177-72.1-13.4000111.5C87 T89 C90 C109 Q115 R116C87-D112 PolarHBondContact SG-OD2 2.92Å; T89-D112 VanDerWaalsContact CB-OD2 3.26Å; T89-D112 WeakPolarHBondContact CB-OD2 3.37Å; T89-D112 HydrophobicContact CG2-CB 4.03Å; T89-D112 WeakPolarHBondContact CG2-OD2 3.45Å; C90-D112 WeakPolarHBondContact CB-OD2 3.22Å; C90-D112 PolarHBondContact N-OD2 2.92Å; C90-D112 PolarHBondContact SG-OD2 3.44Å; C109-D112 PolarHBondContact O-N 3.03Å; C109-D112 VanDerWaalsContact SG-CB 3.54Å; C109-D112 PolarHBondContact SG-N 3.18Å; C109-D112 PolarHBondContact SG-OD2 3.29Å; D112-Q115 PolarHBondContact O-N 2.85Å; D112-R116 VanDerWaalsContact O-CB 3.29Å; D112-R116 WeakPolarHBondContact O-CB 3.29Å; D112-R116 PolarHBondContact O-N 2.96Å; D112-R116 VanDerWaalsContact O-N 3.09Å
113Y93.4Very high91.4Very high53 Ų5371.1 Ų71.121%0.20834%0.344CS..Hα-helixtrans-58.8-53.1174.1-173.9-91.4000110.3I100 Y108 C109 Q111 Q115 R116 F117I100-Y113 HydrophobicContact CB-CD1 4.13Å; I100-Y113 HydrophobicContact CB-CD2 3.89Å; I100-Y113 HydrophobicContact CB-CE2 4.32Å; I100-Y113 HydrophobicContact CB-CG 3.78Å; I100-Y113 HydrophobicContact CD1-CD1 3.42Å; I100-Y113 VanDerWaalsContact CD1-CD1 3.42Å; I100-Y113 HydrophobicContact CD1-CE1 4.05Å; I100-Y113 HydrophobicContact CD1-CG 3.79Å; I100-Y113 HydrophobicContact CG1-CD1 4.35Å; I100-Y113 HydrophobicContact CG1-CG 4.36Å; I100-Y113 HydrophobicContact CG2-CD1 3.87Å; I100-Y113 HydrophobicContact CG2-CD2 3.63Å; I100-Y113 HydrophobicContact CG2-CE1 3.77Å; I100-Y113 HydrophobicContact CG2-CE2 3.54Å; I100-Y113 HydrophobicContact CG2-CG 3.8Å; Y108-Y113 HydrophobicContact CD2-CD2 4.06Å; Y108-Y113 HydrophobicContact CG-CD2 4.21Å; C109-Y113 WeakPolarHBondContact O-CB 3.26Å; C109-Y113 PolarHBondContact O-N 2.99Å; Q111-Y113 VanDerWaalsContact C-N 3.3Å; Q111-Y113 PolarHBondContact O-N 3.18Å; Y113-Q115 VanDerWaalsContact C-N 3.34Å; Y113-Q115 PolarHBondContact O-N 3.12Å; Y113-R116 PolarHBondContact O-N 3Å; Y113-F117 HydrophobicContact CD1-CD2 4.35Å; Y113-F117 AromaticContact CD2-CD2 3.43Å; Y113-F117 HydrophobicContact CD2-CD2 3.43Å; Y113-F117 VanDerWaalsContact CD2-CD2 3.43Å; Y113-F117 AromaticContact CD2-CE2 3.75Å; Y113-F117 HydrophobicContact CD2-CE2 3.75Å; Y113-F117 HydrophobicContact CE1-CB 4.35Å; Y113-F117 HydrophobicContact CE1-CD2 4.45Å; Y113-F117 AromaticContact CE2-CD2 3.52Å; Y113-F117 HydrophobicContact CE2-CD2 3.52Å; Y113-F117 AromaticContact CE2-CE2 3.96Å; Y113-F117 HydrophobicContact CE2-CE2 3.96Å; Y113-F117 HydrophobicContact CE2-CG 4.27Å; Y113-F117 AromaticContact CG-CD2 3.87Å; Y113-F117 HydrophobicContact CG-CD2 3.87Å; Y113-F117 HydrophobicContact CG-CE2 4.49Å; Y113-F117 WeakPolarHBondContact O-CB 3.43Å; Y113-F117 WeakPolarHBondContact O-CD2 3.46Å; Y113-F117 PolarHBondContact O-N 2.9Å
114H90.4Very high91.4Very high34 Ų3464.3 Ų64.316%0.15732%0.317CS..Hα-helixtrans-65-38.6-179-82.1-55.4000112.8V110 Q111 R116 S118 V129 P130V110-H114 WeakPolarHBondContact O-CB 3.2Å; V110-H114 PolarHBondContact O-CD2 3.38Å; V110-H114 PolarHBondContact O-N 2.91Å; Q111-H114 PolarHBondContact O-N 2.68Å; H114-R116 PolarHBondContact O-N 3.49Å; H114-S118 WeakPolarHBondContact CA-OG 3.35Å; H114-S118 WeakPolarHBondContact CB-OG 3.16Å; H114-S118 PolarHBondContact ND1-OG 2.88Å; H114-S118 VanDerWaalsContact ND1-OG 3.09Å; H114-S118 WeakPolarHBondContact O-CB 3.42Å; H114-S118 PolarHBondContact O-N 2.87Å; H114-S118 PolarHBondContact O-OG 3.24Å; H114-V129 HydrophobicContact CB-CB 4.3Å; H114-V129 HydrophobicContact CB-CG1 3.62Å; H114-P130 WeakPolarHBondContact CE1-CD 3.28Å
115Q87.7Confident91.3Very high121 Ų12166.1 Ų66.157%0.56532%0.322SS*.Hα-helixtrans-62.9-34.9178.7-171171.528.900112.3Q111 D112 Y113 P127Q111-Q115 WeakPolarHBondContact O-CB 3.36Å; Q111-Q115 PolarHBondContact O-N 2.97Å; D112-Q115 PolarHBondContact O-N 2.85Å; Y113-Q115 VanDerWaalsContact C-N 3.34Å; Y113-Q115 PolarHBondContact O-N 3.12Å; Q115-P127 HydrophobicContact CG-CG 4.34Å
116R87.4Confident91.4Very high157 Ų15766.6 Ų66.659%0.59232%0.32SS*.Hα-helixtrans-90.2-34.4-174.9-165.8172.4-176-167.60.3113.9D112 Y113 H114D112-R116 VanDerWaalsContact O-CB 3.29Å; D112-R116 WeakPolarHBondContact O-CB 3.29Å; D112-R116 PolarHBondContact O-N 2.96Å; D112-R116 VanDerWaalsContact O-N 3.09Å; Y113-R116 PolarHBondContact O-N 3Å; H114-R116 PolarHBondContact O-N 3.49Å
117F88.2Confident91.3Very high94 Ų9462.5 Ų62.541%0.41230%0.304SS..Hα-helixtrans-115.6-10.9-168.5-54.9-67.5000114Y108 Y113Y108-F117 HydrophobicContact CD1-CE2 4.42Å; Y108-F117 HydrophobicContact CD2-CE2 4.36Å; Y108-F117 HydrophobicContact CE1-CE2 4.25Å; Y108-F117 HydrophobicContact CE1-CZ 4.49Å; Y108-F117 HydrophobicContact CE2-CE2 4.2Å; Y108-F117 HydrophobicContact CE2-CZ 4.43Å; Y108-F117 HydrophobicContact CG-CE2 4.48Å; Y113-F117 HydrophobicContact CD1-CD2 4.35Å; Y113-F117 AromaticContact CD2-CD2 3.43Å; Y113-F117 HydrophobicContact CD2-CD2 3.43Å; Y113-F117 VanDerWaalsContact CD2-CD2 3.43Å; Y113-F117 AromaticContact CD2-CE2 3.75Å; Y113-F117 HydrophobicContact CD2-CE2 3.75Å; Y113-F117 HydrophobicContact CE1-CB 4.35Å; Y113-F117 HydrophobicContact CE1-CD2 4.45Å; Y113-F117 AromaticContact CE2-CD2 3.52Å; Y113-F117 HydrophobicContact CE2-CD2 3.52Å; Y113-F117 AromaticContact CE2-CE2 3.96Å; Y113-F117 HydrophobicContact CE2-CE2 3.96Å; Y113-F117 HydrophobicContact CE2-CG 4.27Å; Y113-F117 AromaticContact CG-CD2 3.87Å; Y113-F117 HydrophobicContact CG-CD2 3.87Å; Y113-F117 HydrophobicContact CG-CE2 4.49Å; Y113-F117 WeakPolarHBondContact O-CB 3.43Å; Y113-F117 WeakPolarHBondContact O-CD2 3.46Å; Y113-F117 PolarHBondContact O-N 2.9Å
118S90.4Very high91.1Very high16 Ų1661.7 Ų61.711%0.11230%0.299CS..SBendtrans-76.3147.4176.9-50.70000111.3H114 Q120 I128H114-S118 WeakPolarHBondContact CA-OG 3.35Å; H114-S118 WeakPolarHBondContact CB-OG 3.16Å; H114-S118 PolarHBondContact ND1-OG 2.88Å; H114-S118 VanDerWaalsContact ND1-OG 3.09Å; H114-S118 WeakPolarHBondContact O-CB 3.42Å; H114-S118 PolarHBondContact O-N 2.87Å; H114-S118 PolarHBondContact O-OG 3.24Å; S118-Q120 PolarHBondContact O-N 3.23Å; S118-I128 WeakPolarHBondContact CB-O 3.42Å
119P91.1Very high90.8Very high40 Ų4064.9 Ų64.926%0.2632%0.319SS..PPolyproline II helixtrans-59.9137.8174.524.4-32.5000110.6I128 K139 N146P119-I128 HydrophobicContact CG-CB 4.4Å; P119-I128 WeakPolarHBondContact O-CB 3.46Å; P119-I128 WeakPolarHBondContact O-CG1 3.38Å; P119-I128 PolarHBondContact O-N 3.09Å; P119-K139 HydrophobicContact CG-CD 4.01Å; P119-N146 HydrophobicContact CB-CB 4.1Å
120Q92.8Very high90.3Very high126 Ų12665.1 Ų65.159%0.58932%0.32SS*.BIsolated β-bridgetrans-82.6141.4176.5-69-179.9-36.700110.9S118S118-Q120 PolarHBondContact O-N 3.23Å
121C91.3Very high89.8Confident1 Ų165.6 Ų65.61%0.00733%0.33CS..PPolyproline II helixtrans-73.1130.1169.8175.90000110.1T123 C124 K125 E126 I128 N146 H148 C151C121-T123 VanDerWaalsContact C-N 3.26Å; C121-T123 PolarHBondContact O-N 2.85Å; C121-T123 PolarHBondContact SG-N 3.44Å; C121-T123 VanDerWaalsContact SG-N 3.45Å; C121-C124 VanDerWaalsContact CB-SG 3.53Å; C121-K125 WeakPolarHBondContact O-CA 3.37Å; C121-K125 PolarHBondContact O-N 2.86Å; C121-E126 PolarHBondContact N-O 3.18Å; C121-I128 HydrophobicContact CB-CD1 4.16Å; C121-I128 HydrophobicContact CB-CG1 3.96Å; C121-N146 WeakPolarHBondContact CA-O 3.45Å; C121-H148 VanDerWaalsContact CB-CE1 3.48Å; C121-H148 WeakPolarHBondContact CB-CE1 3.46Å; C121-H148 WeakPolarHBondContact CB-ND1 3.36Å; C121-C151 VanDerWaalsContact SG-CB 3.53Å
122E89.6Confident89.3Confident46 Ų4665.3 Ų65.322%0.21534%0.341CS..THydrogen-bonded Turntrans-65.3-30.5-179.5-179.966.7177.700113.2K125 K145 N146 Y147E122-K125 WeakPolarHBondContact O-CD 3.43Å; E122-K125 VanDerWaalsContact O-CE 3.28Å; E122-K125 WeakPolarHBondContact O-CE 3.48Å; E122-K125 PolarHBondContact O-NZ 3.14Å; E122-K125 IonicContact OE1-NZ 2.9Å; E122-K125 PolarHBondContact OE1-NZ 3.04Å; E122-K125 IonicContact OE2-NZ 3.2Å; E122-K125 PolarHBondContact OE2-NZ 2.66Å; E122-K145 HydrophobicContact CB-CB 4.27Å; E122-K145 HydrophobicContact CB-CD 4.11Å; E122-K145 HydrophobicContact CG-CD 3.51Å; E122-K145 IonicContact OE1-NZ 3.34Å; E122-K145 PolarHBondContact OE1-NZ 2.85Å; E122-N146 PolarHBondContact N-O 3.36Å; E122-Y147 HydrophobicContact CB-CD1 4.1Å; E122-Y147 HydrophobicContact CB-CE1 3.52Å; E122-Y147 HydrophobicContact CG-CE1 4.11Å
123T87.8Confident88.6Confident68 Ų6869.1 Ų69.142%0.41738%0.383SS..THydrogen-bonded Turntrans-78.7-51.6-176.7-50.70000112.7C121 Y147 C151C121-T123 VanDerWaalsContact C-N 3.26Å; C121-T123 PolarHBondContact O-N 2.85Å; C121-T123 PolarHBondContact SG-N 3.44Å; C121-T123 VanDerWaalsContact SG-N 3.45Å; T123-Y147 WeakPolarHBondContact OG1-CD1 3.32Å; T123-C151 HydrophobicContact CG2-CB 4.46Å; T123-C151 PolarHBondContact OG1-O 2.96Å
124C90.2Very high88Confident53 Ų5369 Ų6936%0.35839%0.39SS..THydrogen-bonded Turntrans-100.3-7.3-175.764.20000114C121 E126 H148C121-C124 VanDerWaalsContact CB-SG 3.53Å; C124-E126 PolarHBondContact O-N 3.11Å; C124-H148 PolarHBondContact SG-CE1 3.3Å; C124-H148 PolarHBondContact SG-ND1 3.34Å; C124-H148 VanDerWaalsContact SG-ND1 3.4Å
125K89.9Confident87.2Confident111 Ų11176.7 Ų76.748%0.48343%0.426SS..  trans61.83.5-175.7-52.7-52-169.7-163.90115.5C121 E122C121-K125 WeakPolarHBondContact O-CA 3.37Å; C121-K125 PolarHBondContact O-N 2.86Å; E122-K125 WeakPolarHBondContact O-CD 3.43Å; E122-K125 VanDerWaalsContact O-CE 3.28Å; E122-K125 WeakPolarHBondContact O-CE 3.48Å; E122-K125 PolarHBondContact O-NZ 3.14Å; E122-K125 IonicContact OE1-NZ 2.9Å; E122-K125 PolarHBondContact OE1-NZ 3.04Å; E122-K125 IonicContact OE2-NZ 3.2Å; E122-K125 PolarHBondContact OE2-NZ 2.66Å
126E91.1Very high86.9Confident119 Ų11978.2 Ų78.256%0.55643%0.433SS*.  trans-80.4150.3174.7-67.1-61.3148.300112.3C121 C124C121-E126 PolarHBondContact N-O 3.18Å; C124-E126 PolarHBondContact O-N 3.11Å
127P92.1Very high86.7Confident20 Ų2073.4 Ų73.413%0.1342%0.422CS..BIsolated β-bridgetrans-58.7141.4173-19.930.8000112.7Q115 V129 H148Q115-P127 HydrophobicContact CG-CG 4.34Å; P127-V129 HydrophobicContact CB-CG1 3.94Å; P127-H148 PolarHBondContact O-NE2 2.9Å
128I91.8Very high86.6Confident1 Ų173.3 Ų73.31%0.00543%0.428CS..  trans-92.7101.9173.2-54.2164.6000108S118 P119 C121 T137 K139 N146 H148S118-I128 WeakPolarHBondContact CB-O 3.42Å; P119-I128 HydrophobicContact CG-CB 4.4Å; P119-I128 WeakPolarHBondContact O-CB 3.46Å; P119-I128 WeakPolarHBondContact O-CG1 3.38Å; P119-I128 PolarHBondContact O-N 3.09Å; C121-I128 HydrophobicContact CB-CD1 4.16Å; C121-I128 HydrophobicContact CB-CG1 3.96Å; I128-T137 HydrophobicContact CG2-CG2 3.88Å; I128-T137 VanDerWaalsContact O-CG2 3.23Å; I128-T137 WeakPolarHBondContact O-CG2 3.42Å; I128-K139 HydrophobicContact CD1-CB 4.23Å; I128-K139 HydrophobicContact CG2-CB 4.03Å; I128-N146 HydrophobicContact CD1-CB 3.73Å; I128-H148 WeakPolarHBondContact CA-NE2 3.23Å
129V89.8Confident86.5Confident70 Ų7077.1 Ų77.142%0.42444%0.443SS..  trans-110.7157.6-174.2-51.60000111.2H114 P127H114-V129 HydrophobicContact CB-CB 4.3Å; H114-V129 HydrophobicContact CB-CG1 3.62Å; P127-V129 HydrophobicContact CB-CG1 3.94Å
130P85.1Confident86.4Confident22 Ų2277.1 Ų77.114%0.14344%0.441CS..PPolyproline II helixtrans-57.7149.9171.9-16.125.2000112.1H114 S134 T137H114-P130 WeakPolarHBondContact CE1-CD 3.28Å; P130-S134 WeakPolarHBondContact CB-O 3.48Å; P130-T137 VanDerWaalsContact CD-OG1 3.29Å; P130-T137 WeakPolarHBondContact CD-OG1 3.45Å; P130-T137 VanDerWaalsContact CG-OG1 3.28Å; P130-T137 WeakPolarHBondContact CG-OG1 3.16Å
131A81.9Confident86.1Confident64 Ų6475.5 Ų75.553%0.52944%0.439SS..PPolyproline II helixtrans-67.2152169.800000110.6G133 S134A131-G133 PolarHBondContact O-N 3.25Å; A131-G133 VanDerWaalsContact O-N 3.15Å; A131-S134 WeakPolarHBondContact O-CB 3.47Å; A131-S134 PolarHBondContact O-N 3.27Å
132P79.7Confident85.7Confident140 Ų14075.8 Ų75.891%0.90944%0.442SS*.THydrogen-bonded Turntrans-52.8122.5175.9-25.334.1000111.5
133G78.8Confident85.2Confident95 Ų9578.6 Ų78.698%0.97946%0.457SS*.THydrogen-bonded Turntrans87.70.9-177.800000115.7A131A131-G133 PolarHBondContact O-N 3.25Å; A131-G133 VanDerWaalsContact O-N 3.15Å
134S80.2Confident85Confident50 Ų5079 Ų7935%0.3548%0.476SS..  trans-108.9137.8171.4-179.80000110.3P130 A131 E136P130-S134 WeakPolarHBondContact CB-O 3.48Å; A131-S134 WeakPolarHBondContact O-CB 3.47Å; A131-S134 PolarHBondContact O-N 3.27Å; S134-E136 PolarHBondContact OG-N 2.9Å; S134-E136 VanDerWaalsContact OG-N 3.14Å; S134-E136 PolarHBondContact OG-O 3.25Å; S134-E136 VanDerWaalsContact OG-O 3.07Å
135E74.3Confident84.9Confident196 Ų19680.5 Ų80.592%0.91648%0.476SS*.SBendtrans-87.1-19.7168.2-63.2-173.9171.600111.7
136E80.5Confident84.9Confident153 Ų15377.2 Ų77.272%0.71546%0.464SS*.  trans-84.4129.2179.9-67-172.8172.700111.4S134S134-E136 PolarHBondContact OG-N 2.9Å; S134-E136 VanDerWaalsContact OG-N 3.14Å; S134-E136 PolarHBondContact OG-O 3.25Å; S134-E136 VanDerWaalsContact OG-O 3.07Å
137T83.6Confident84.8Confident56 Ų5671.8 Ų71.834%0.34444%0.438SS..  trans-91.7114.2170.2-57.50000109.5I128 P130I128-T137 HydrophobicContact CG2-CG2 3.88Å; I128-T137 VanDerWaalsContact O-CG2 3.23Å; I128-T137 WeakPolarHBondContact O-CG2 3.42Å; P130-T137 VanDerWaalsContact CD-OG1 3.29Å; P130-T137 WeakPolarHBondContact CD-OG1 3.45Å; P130-T137 VanDerWaalsContact CG-OG1 3.28Å; P130-T137 WeakPolarHBondContact CG-OG1 3.16Å
138V86.9Confident84.7Confident92 Ų9272.4 Ų72.456%0.55844%0.44SS*.  trans-91.1122.3174.7-170.60000109.8I149V138-I149 HydrophobicContact CB-CD1 4.31Å; V138-I149 HydrophobicContact CG1-CD1 3.46Å; V138-I149 VanDerWaalsContact CG1-CD1 3.46Å; V138-I149 HydrophobicContact CG1-CG1 4.34Å
139K88.6Confident84.4Confident96 Ų9676.3 Ų76.342%0.41746%0.46SS..  trans-132.3149177.468.7-173.7-177.9179.60110.9P119 I128 V141P119-K139 HydrophobicContact CG-CD 4.01Å; I128-K139 HydrophobicContact CD1-CB 4.23Å; I128-K139 HydrophobicContact CG2-CB 4.03Å; K139-V141 HydrophobicContact CD-CG2 4.47Å; K139-V141 HydrophobicContact CG-CG2 4.29Å
140L87.3Confident84.3Confident40 Ų4080.5 Ų80.521%0.20947%0.472CS..EExtended strand (participates in β ladder)trans-93.1132.4165.3-69.2177.5000109.1N146 Y147 I149 Y152L140-N146 CarbonylContact O-C 3.45Å; L140-N146 WeakPolarHBondContact O-CA 3.3Å; L140-Y147 PolarHBondContact N-O 3.28Å; L140-Y147 PolarHBondContact O-N 3.24Å; L140-I149 HydrophobicContact CD1-CB 4.25Å; L140-I149 HydrophobicContact CD1-CG1 4.13Å; L140-I149 HydrophobicContact CD1-CG2 4.34Å; L140-I149 HydrophobicContact CD2-CG1 4.35Å; L140-I149 HydrophobicContact CG-CB 4.45Å; L140-I149 HydrophobicContact CG-CG1 3.82Å; L140-Y152 HydrophobicContact CD1-CD1 4.02Å; L140-Y152 HydrophobicContact CD1-CG 4.12Å
141V87.7Confident84.4Confident92 Ų9280.4 Ų80.456%0.55847%0.471SS*.EExtended strand (participates in β ladder)trans-109.3118.3172.5-176.50000107.6K139 K145K139-V141 HydrophobicContact CD-CG2 4.47Å; K139-V141 HydrophobicContact CG-CG2 4.29Å; V141-K145 WeakPolarHBondContact CA-O 3.48Å
142A82.4Confident84.6Confident7 Ų777.7 Ų77.76%0.05845%0.448CS..EExtended strand (participates in β ladder)trans-142.6136.317800000109.4G144 K145 Y147 Y152A142-G144 PolarHBondContact O-N 3.48Å; A142-G144 VanDerWaalsContact O-N 3.16Å; A142-K145 PolarHBondContact N-O 3.2Å; A142-K145 PolarHBondContact O-N 2.83Å; A142-Y147 HydrophobicContact CB-CD2 4.33Å; A142-Y147 HydrophobicContact CB-CE2 4.01Å; A142-Y147 WeakPolarHBondContact O-CE2 3.4Å; A142-Y152 HydrophobicContact CB-CD2 4.23Å; A142-Y152 HydrophobicContact CB-CE1 4.25Å; A142-Y152 HydrophobicContact CB-CE2 3.4Å; A142-Y152 VanDerWaalsContact CB-CE2 3.4Å; A142-Y152 VanDerWaalsContact CB-CZ 3.45Å; A142-Y152 WeakPolarHBondContact CB-OH 3.38Å
143L80.3Confident85Confident105 Ų10574.8 Ų74.855%0.5542%0.422SS..THydrogen-bonded Turntrans54.236.3177.2-52.2169.2000113K145 P172L143-K145 PolarHBondContact O-N 3.18Å; L143-P172 HydrophobicContact CD1-CB 4.2Å; L143-P172 HydrophobicContact CD1-CG 3.82Å
144G83.1Confident85.4Confident78 Ų7870.2 Ų70.280%0.80438%0.375SS*.THydrogen-bonded Turntrans71.56-177.600000115.5A142A142-G144 PolarHBondContact O-N 3.48Å; A142-G144 VanDerWaalsContact O-N 3.16Å
145K88.2Confident85.5Confident84 Ų8472.1 Ų72.137%0.36538%0.378SS..EExtended strand (participates in β ladder)trans-116.7159.8-178.9-59.2-170.3-178.3-176.30111.6E122 V141 A142 L143 Y147E122-K145 HydrophobicContact CB-CB 4.27Å; E122-K145 HydrophobicContact CB-CD 4.11Å; E122-K145 HydrophobicContact CG-CD 3.51Å; E122-K145 IonicContact OE1-NZ 3.34Å; E122-K145 PolarHBondContact OE1-NZ 2.85Å; V141-K145 WeakPolarHBondContact CA-O 3.48Å; A142-K145 PolarHBondContact N-O 3.2Å; A142-K145 PolarHBondContact O-N 2.83Å; L143-K145 PolarHBondContact O-N 3.18Å; K145-Y147 HydrophobicContact CB-CE2 3.7Å; K145-Y147 WeakPolarHBondContact CB-OH 3.36Å; K145-Y147 WeakPolarHBondContact O-CE2 3.2Å
146N90.4Very high86Confident42 Ų4266.3 Ų66.323%0.22535%0.354CS..EExtended strand (participates in β ladder)trans-103.9144.2-178.9-57.1-82.7000111.1P119 C121 E122 I128 L140P119-N146 HydrophobicContact CB-CB 4.1Å; C121-N146 WeakPolarHBondContact CA-O 3.45Å; E122-N146 PolarHBondContact N-O 3.36Å; I128-N146 HydrophobicContact CD1-CB 3.73Å; L140-N146 CarbonylContact O-C 3.45Å; L140-N146 WeakPolarHBondContact O-CA 3.3Å
147Y88.6Confident86.2Confident5 Ų562.2 Ų62.22%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-141.4145.6179.9-53.8-96000110.9E122 T123 L140 A142 K145 Y152 I177E122-Y147 HydrophobicContact CB-CD1 4.1Å; E122-Y147 HydrophobicContact CB-CE1 3.52Å; E122-Y147 HydrophobicContact CG-CE1 4.11Å; T123-Y147 WeakPolarHBondContact OG1-CD1 3.32Å; L140-Y147 PolarHBondContact N-O 3.28Å; L140-Y147 PolarHBondContact O-N 3.24Å; A142-Y147 HydrophobicContact CB-CD2 4.33Å; A142-Y147 HydrophobicContact CB-CE2 4.01Å; A142-Y147 WeakPolarHBondContact O-CE2 3.4Å; K145-Y147 HydrophobicContact CB-CE2 3.7Å; K145-Y147 WeakPolarHBondContact CB-OH 3.36Å; K145-Y147 WeakPolarHBondContact O-CE2 3.2Å; Y147-Y152 AromaticContact CD1-CD2 3.98Å; Y147-Y152 HydrophobicContact CD1-CD2 3.98Å; Y147-Y152 AromaticContact CD2-CD2 3.8Å; Y147-Y152 HydrophobicContact CD2-CD2 3.8Å; Y147-Y152 HydrophobicContact CD2-CE2 4.28Å; Y147-Y152 HydrophobicContact CE1-CD2 4.22Å; Y147-Y152 HydrophobicContact CE2-CD2 4.08Å; Y147-Y152 HydrophobicContact CE2-CE2 4.17Å; Y147-Y152 AromaticContact CG-CD2 3.77Å; Y147-Y152 HydrophobicContact CG-CD2 3.77Å; Y147-Y152 HydrophobicContact CG-CG 4.45Å; Y147-I177 HydrophobicContact CD1-CD1 4.15Å; Y147-I177 HydrophobicContact CE1-CD1 3.34Å
148H89.5Confident86.2Confident33 Ų3362.3 Ų62.315%0.15335%0.348CS..  trans-61.8147.1156.6-56.5102.6000108.8C121 C124 P127 I128 K150 C151 Y152C121-H148 VanDerWaalsContact CB-CE1 3.48Å; C121-H148 WeakPolarHBondContact CB-CE1 3.46Å; C121-H148 WeakPolarHBondContact CB-ND1 3.36Å; C124-H148 PolarHBondContact SG-CE1 3.3Å; C124-H148 PolarHBondContact SG-ND1 3.34Å; C124-H148 VanDerWaalsContact SG-ND1 3.4Å; P127-H148 PolarHBondContact O-NE2 2.9Å; I128-H148 WeakPolarHBondContact CA-NE2 3.23Å; H148-K150 HydrophobicContact CB-CG 4.04Å; H148-K150 PolarHBondContact O-N 3.29Å; H148-C151 HydrophobicContact CB-CB 4.01Å; H148-C151 PolarHBondContact O-N 3.2Å; H148-Y152 PolarHBondContact O-N 2.9Å
149I85.7Confident86Confident83 Ų8363.5 Ų63.543%0.42634%0.342SS..G310 helixtrans-52.5-45.1177.4-68.3165.7000111.3V138 L140 C151 Y152V138-I149 HydrophobicContact CB-CD1 4.31Å; V138-I149 HydrophobicContact CG1-CD1 3.46Å; V138-I149 VanDerWaalsContact CG1-CD1 3.46Å; V138-I149 HydrophobicContact CG1-CG1 4.34Å; L140-I149 HydrophobicContact CD1-CB 4.25Å; L140-I149 HydrophobicContact CD1-CG1 4.13Å; L140-I149 HydrophobicContact CD1-CG2 4.34Å; L140-I149 HydrophobicContact CD2-CG1 4.35Å; L140-I149 HydrophobicContact CG-CB 4.45Å; L140-I149 HydrophobicContact CG-CG1 3.82Å; I149-C151 VanDerWaalsContact C-N 3.26Å; I149-C151 PolarHBondContact O-N 3.48Å; I149-Y152 PolarHBondContact O-N 3.42Å
150K86.8Confident85.6Confident158 Ų15862 Ų6269%0.68734%0.342SS*.G310 helixtrans-68.1-19.5178.666.6-179.6-177.3179.20114.7H148H148-K150 HydrophobicContact CB-CG 4.04Å; H148-K150 PolarHBondContact O-N 3.29Å
151C87.9Confident85.1Confident19 Ų1960.2 Ų60.213%0.12833%0.333CS..G310 helixtrans-94.1-14.2-176.7-70.40000112.7C121 T123 H148 I149 Q153C121-C151 VanDerWaalsContact SG-CB 3.53Å; T123-C151 HydrophobicContact CG2-CB 4.46Å; T123-C151 PolarHBondContact OG1-O 2.96Å; H148-C151 HydrophobicContact CB-CB 4.01Å; H148-C151 PolarHBondContact O-N 3.2Å; I149-C151 VanDerWaalsContact C-N 3.26Å; I149-C151 PolarHBondContact O-N 3.48Å; C151-Q153 VanDerWaalsContact C-N 3.29Å; C151-Q153 PolarHBondContact O-N 3.49Å; C151-Q153 VanDerWaalsContact O-N 3.12Å
152Y87.1Confident84Confident8 Ų858.6 Ų58.63%0.03133%0.325CS..SBendtrans-86.970.7174.9-163.2-113000110.7L140 A142 Y147 H148 I149 F161 K167 I177L140-Y152 HydrophobicContact CD1-CD1 4.02Å; L140-Y152 HydrophobicContact CD1-CG 4.12Å; A142-Y152 HydrophobicContact CB-CD2 4.23Å; A142-Y152 HydrophobicContact CB-CE1 4.25Å; A142-Y152 HydrophobicContact CB-CE2 3.4Å; A142-Y152 VanDerWaalsContact CB-CE2 3.4Å; A142-Y152 VanDerWaalsContact CB-CZ 3.45Å; A142-Y152 WeakPolarHBondContact CB-OH 3.38Å; Y147-Y152 AromaticContact CD1-CD2 3.98Å; Y147-Y152 HydrophobicContact CD1-CD2 3.98Å; Y147-Y152 AromaticContact CD2-CD2 3.8Å; Y147-Y152 HydrophobicContact CD2-CD2 3.8Å; Y147-Y152 HydrophobicContact CD2-CE2 4.28Å; Y147-Y152 HydrophobicContact CE1-CD2 4.22Å; Y147-Y152 HydrophobicContact CE2-CD2 4.08Å; Y147-Y152 HydrophobicContact CE2-CE2 4.17Å; Y147-Y152 AromaticContact CG-CD2 3.77Å; Y147-Y152 HydrophobicContact CG-CD2 3.77Å; Y147-Y152 HydrophobicContact CG-CG 4.45Å; H148-Y152 PolarHBondContact O-N 2.9Å; I149-Y152 PolarHBondContact O-N 3.42Å; Y152-F161 HydrophobicContact CD1-CB 3.55Å; Y152-F161 HydrophobicContact CD1-CD2 4.1Å; Y152-F161 HydrophobicContact CD1-CG 4.31Å; Y152-F161 HydrophobicContact CE1-CB 3.42Å; Y152-F161 VanDerWaalsContact CE1-CB 3.42Å; Y152-F161 HydrophobicContact CE1-CD2 4.07Å; Y152-F161 HydrophobicContact CE1-CG 4.1Å; Y152-F161 HydrophobicContact CG-CD2 4.39Å; Y152-F161 WeakPolarHBondContact O-CD2 3.48Å; Y152-F161 PolarHBondContact O-N 2.84Å; Y152-F161 VanDerWaalsContact O-N 3.08Å; Y152-K167 PolarHBondContact OH-O 3.42Å; Y152-I177 HydrophobicContact CD2-CD1 3.64Å; Y152-I177 HydrophobicContact CE2-CD1 3.51Å
153Q87.3Confident83Confident78 Ų7860.5 Ų60.536%0.36434%0.339SS..BIsolated β-bridgetrans-140.8158.7-178.464.9-176.93.200111C151 E155 A158 R159 P160C151-Q153 VanDerWaalsContact C-N 3.29Å; C151-Q153 PolarHBondContact O-N 3.49Å; C151-Q153 VanDerWaalsContact O-N 3.12Å; Q153-E155 PolarHBondContact O-N 2.9Å; Q153-A158 PolarHBondContact OE1-O 2.93Å; Q153-R159 CarbonylContact C-O 3.54Å; Q153-R159 VanDerWaalsContact CA-O 3.31Å; Q153-R159 WeakPolarHBondContact CA-O 3.47Å; Q153-R159 WeakPolarHBondContact CB-O 3.27Å; Q153-P160 HydrophobicContact CB-CB 4.48Å
154C86.1Confident82Confident0 Ų063.8 Ų63.80%035%0.351CS..  trans-63.1124.9177.9-178.10000109.6D156 C157 A158 R159 F161 I177 C179C154-D156 VanDerWaalsContact C-N 3.28Å; C154-D156 PolarHBondContact O-N 2.97Å; C154-C157 WeakPolarHBondContact CB-SG 3.48Å; C154-C157 PolarHBondContact SG-SG 2.9Å; C154-A158 WeakPolarHBondContact O-CA 3.42Å; C154-A158 PolarHBondContact O-N 3.16Å; C154-R159 HydrophobicContact CB-CB 4.36Å; C154-R159 PolarHBondContact N-O 2.74Å; C154-F161 HydrophobicContact CB-CE1 4.31Å; C154-F161 HydrophobicContact CB-CE2 4.25Å; C154-F161 HydrophobicContact CB-CZ 3.64Å; C154-I177 WeakPolarHBondContact CA-O 3.48Å; C154-C179 HydrophobicContact CB-CB 4.06Å; C154-C179 PolarHBondContact SG-N 3.32Å
155E83.3Confident80.8Confident90 Ų9065.7 Ų65.742%0.42135%0.347SS..THydrogen-bonded Turntrans-63.7-34.3-178.1-166173.8126.800113.1Q153 R176 I177 L178Q153-E155 PolarHBondContact O-N 2.9Å; E155-R176 WeakPolarHBondContact OE1-CD 3.28Å; E155-R176 IonicContact OE1-CZ 3.44Å; E155-R176 VanDerWaalsContact OE1-CZ 3.31Å; E155-R176 IonicContact OE1-NE 2.7Å; E155-R176 PolarHBondContact OE1-NE 3.21Å; E155-R176 IonicContact OE1-NH1 3.02Å; E155-R176 PolarHBondContact OE1-NH1 2.87Å; E155-R176 WeakPolarHBondContact OE2-CB 3.47Å; E155-R176 WeakPolarHBondContact OE2-CD 3.43Å; E155-R176 WeakPolarHBondContact OE2-CG 3.05Å; E155-I177 PolarHBondContact N-O 2.93Å; E155-L178 HydrophobicContact CB-CD2 4.09Å
156D84.1Confident79.4Confident74 Ų7462.3 Ų62.340%0.39633%0.332SS..THydrogen-bonded Turntrans-81.3-30.1-174.8-71.2-10.3000114C154 L178 C182 R186C154-D156 VanDerWaalsContact C-N 3.28Å; C154-D156 PolarHBondContact O-N 2.97Å; D156-L178 HydrophobicContact CB-CD2 4.46Å; D156-C182 HydrophobicContact CB-CB 4.02Å; D156-R186 IonicContact OD1-CZ 3.53Å; D156-R186 IonicContact OD1-NH1 2.7Å; D156-R186 PolarHBondContact OD1-NH1 2.85Å; D156-R186 IonicContact OD1-NH2 2.92Å; D156-R186 PolarHBondContact OD1-NH2 3.02Å; D156-R186 IonicContact OD2-CZ 3.31Å; D156-R186 IonicContact OD2-NH1 2.64Å; D156-R186 PolarHBondContact OD2-NH1 2.85Å
157C85.9Confident77.7Confident67 Ų6764.5 Ų64.545%0.45334%0.34SS..THydrogen-bonded Turntrans-125.55-174.568.10000113.9C154 R159C154-C157 WeakPolarHBondContact CB-SG 3.48Å; C154-C157 PolarHBondContact SG-SG 2.9Å; C157-R159 PolarHBondContact O-N 2.81Å; C157-R159 VanDerWaalsContact SG-CB 3.6Å
158A83.7Confident76.1Confident58 Ų5874 Ų7448%0.47938%0.377SS..  trans5316.6-176.700000114.7Q153 C154 P160Q153-A158 PolarHBondContact OE1-O 2.93Å; C154-A158 WeakPolarHBondContact O-CA 3.42Å; C154-A158 PolarHBondContact O-N 3.16Å; A158-P160 VanDerWaalsContact O-CD 3.3Å; A158-P160 WeakPolarHBondContact O-CD 3.49Å
159R83.1Confident75Confident116 Ų11676.1 Ų76.144%0.43839%0.387SS..  trans-69.7120179.7-177.9177.6176.3-171.3-2.2109.4Q153 C154 C157 D166Q153-R159 CarbonylContact C-O 3.54Å; Q153-R159 VanDerWaalsContact CA-O 3.31Å; Q153-R159 WeakPolarHBondContact CA-O 3.47Å; Q153-R159 WeakPolarHBondContact CB-O 3.27Å; C154-R159 HydrophobicContact CB-CB 4.36Å; C154-R159 PolarHBondContact N-O 2.74Å; C157-R159 PolarHBondContact O-N 2.81Å; C157-R159 VanDerWaalsContact SG-CB 3.6Å; R159-D166 IonicContact CZ-OD2 3.26Å; R159-D166 VanDerWaalsContact CZ-OD2 3.26Å; R159-D166 IonicContact NE-OD2 3.84Å; R159-D166 IonicContact NH1-OD2 3.88Å; R159-D166 IonicContact NH2-OD2 2.69Å; R159-D166 PolarHBondContact NH2-OD2 3.11Å
160P79.9Confident74.1Confident64 Ų6472.5 Ų72.542%0.41637%0.37SS..BIsolated β-bridgetrans-67.9140176.826.6-32.2000110.7Q153 A158 S162Q153-P160 HydrophobicContact CB-CB 4.48Å; A158-P160 VanDerWaalsContact O-CD 3.3Å; A158-P160 WeakPolarHBondContact O-CD 3.49Å; P160-S162 PolarHBondContact O-N 2.89Å
161F76.1Confident73.3Confident3 Ų368.2 Ų68.21%0.01335%0.353CS..SBendtrans-88.612174.7-59-64.5000112.3Y152 C154 S163 D166 K167 I177 C179Y152-F161 HydrophobicContact CD1-CB 3.55Å; Y152-F161 HydrophobicContact CD1-CD2 4.1Å; Y152-F161 HydrophobicContact CD1-CG 4.31Å; Y152-F161 HydrophobicContact CE1-CB 3.42Å; Y152-F161 VanDerWaalsContact CE1-CB 3.42Å; Y152-F161 HydrophobicContact CE1-CD2 4.07Å; Y152-F161 HydrophobicContact CE1-CG 4.1Å; Y152-F161 HydrophobicContact CG-CD2 4.39Å; Y152-F161 WeakPolarHBondContact O-CD2 3.48Å; Y152-F161 PolarHBondContact O-N 2.84Å; Y152-F161 VanDerWaalsContact O-N 3.08Å; C154-F161 HydrophobicContact CB-CE1 4.31Å; C154-F161 HydrophobicContact CB-CE2 4.25Å; C154-F161 HydrophobicContact CB-CZ 3.64Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 3.41Å; F161-D166 CarbonylContact O-C 3.47Å; F161-K167 WeakPolarHBondContact O-CA 3.37Å; F161-K167 PolarHBondContact O-N 3.36Å; F161-I177 HydrophobicContact CD2-CG2 3.96Å; F161-I177 HydrophobicContact CE2-CB 4.2Å; F161-I177 HydrophobicContact CE2-CG2 3.27Å; F161-I177 HydrophobicContact CZ-CG2 3.9Å; F161-C179 HydrophobicContact CE1-CB 3.63Å; F161-C179 HydrophobicContact CZ-CB 4.03Å
162S64.8Low72.5Confident58 Ų5871.2 Ų71.241%0.40637%0.372SS..  trans-75.2-9-172.759.80000114.9P160 K167P160-S162 PolarHBondContact O-N 2.89Å; S162-K167 WeakPolarHBondContact O-CE 3.45Å
163S61.6Low71.7Confident48 Ų4873 Ų7334%0.33638%0.383SS..SBendtrans-72.4140.8175.548.90000111.5F161 V165 D166 K167F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 3.41Å; S163-V165 PolarHBondContact O-N 3.06Å; S163-D166 PolarHBondContact O-N 3.42Å; S163-K167 PolarHBondContact O-N 2.9Å; S163-K167 VanDerWaalsContact O-N 3.14Å
164E58.8Low70.7Confident174 Ų17476.9 Ų76.981%0.81341%0.407SS*.THydrogen-bonded Turntrans-53.7-26.1-176.1-62.6-162.2150.200114.5
165V58.3Low69.7Low117 Ų11779 Ų7971%0.70943%0.429SS*.THydrogen-bonded Turntrans-77.2-24.7178.6-152.70000113S163 Q169S163-V165 PolarHBondContact O-N 3.06Å; V165-Q169 PolarHBondContact O-NE2 3.46Å
166D57.4Low69.3Low13 Ų1380.3 Ų80.37%0.0743%0.43CS..THydrogen-bonded Turntrans-123.32.2-166.1-62.3-16.9000114R159 F161 S163 Y168 Q169R159-D166 IonicContact CZ-OD2 3.26Å; R159-D166 VanDerWaalsContact CZ-OD2 3.26Å; R159-D166 IonicContact NE-OD2 3.84Å; R159-D166 IonicContact NH1-OD2 3.88Å; R159-D166 IonicContact NH2-OD2 2.69Å; R159-D166 PolarHBondContact NH2-OD2 3.11Å; F161-D166 CarbonylContact O-C 3.47Å; S163-D166 PolarHBondContact O-N 3.42Å; D166-Y168 PolarHBondContact O-N 3.27Å; D166-Q169 HydrophobicContact CB-CB 4.41Å; D166-Q169 HydrophobicContact CB-CG 4.49Å; D166-Q169 PolarHBondContact O-N 2.97Å; D166-Q169 PolarHBondContact OD1-NE2 3.03Å; D166-Q169 PolarHBondContact OD1-OE1 3.35Å; D166-Q169 VanDerWaalsContact OD1-OE1 3.12Å
167K54.7Low69.2Low88 Ų8877.1 Ų77.138%0.38341%0.413SS..THydrogen-bonded Turntrans-52.7-19.5-179.2-86178.8-179.3172.20114.8Y152 F161 S162 S163Y152-K167 PolarHBondContact OH-O 3.42Å; F161-K167 WeakPolarHBondContact O-CA 3.37Å; F161-K167 PolarHBondContact O-N 3.36Å; S162-K167 WeakPolarHBondContact O-CE 3.45Å; S163-K167 PolarHBondContact O-N 2.9Å; S163-K167 VanDerWaalsContact O-N 3.14Å
168Y56.3Low68.9Low204 Ų20474 Ų7480%0.839%0.391SS*.THydrogen-bonded Turntrans-120.89180-54.6-71.6000114.2D166D166-Y168 PolarHBondContact O-N 3.27Å
169Q65.8Low68.9Low79 Ų7971.9 Ų71.937%0.36937%0.373SS..  trans-92.58-173.7-68.6-174.920.800114.7V165 D166 H171V165-Q169 PolarHBondContact O-NE2 3.46Å; D166-Q169 HydrophobicContact CB-CB 4.41Å; D166-Q169 HydrophobicContact CB-CG 4.49Å; D166-Q169 PolarHBondContact O-N 2.97Å; D166-Q169 PolarHBondContact OD1-NE2 3.03Å; D166-Q169 PolarHBondContact OD1-OE1 3.35Å; D166-Q169 VanDerWaalsContact OD1-OE1 3.12Å; Q169-H171 PolarHBondContact O-CD2 3.1Å; Q169-H171 PolarHBondContact O-N 3.02Å
170G67.4Low68.8Low6 Ų669.2 Ų69.26%0.06237%0.369CS..  trans-75118.5174.200000111.6P172 I177G170-P172 WeakPolarHBondContact O-CD 3.24Å; G170-I177 VanDerWaalsContact CA-CG2 3.49Å
171H70.4Confident69Low69 Ų6974.1 Ų74.132%0.31938%0.384SS..EExtended strand (participates in β ladder)trans-89.8113.7172.8-70.2-92.2000109Q169 V173 L178 T180 H183Q169-H171 PolarHBondContact O-CD2 3.1Å; Q169-H171 PolarHBondContact O-N 3.02Å; H171-V173 PolarHBondContact O-N 3.11Å; H171-L178 PolarHBondContact N-O 3.36Å; H171-L178 PolarHBondContact O-N 3.4Å; H171-T180 PolarHBondContact NE2-OG1 2.95Å; H171-H183 HydrophobicContact CB-CB 4.1Å; H171-H183 AromaticContact CG-CG 3.97Å; H171-H183 AromaticContact CG-ND1 3.83Å; H171-H183 AromaticContact ND1-ND1 3.87Å
172P70.2Confident69.3Low82 Ų8275 Ų7553%0.53239%0.39SS..EExtended strand (participates in β ladder)trans-73.4124.1176.131.3-34.8000110L143 G170 R176L143-P172 HydrophobicContact CD1-CB 4.2Å; L143-P172 HydrophobicContact CD1-CG 3.82Å; G170-P172 WeakPolarHBondContact O-CD 3.24Å; P172-R176 CarbonylContact C-O 3.53Å; P172-R176 VanDerWaalsContact CA-O 3.28Å; P172-R176 WeakPolarHBondContact CA-O 3.18Å
173V69.8Low70.2Confident44 Ų4474.4 Ų74.427%0.26738%0.381SS..EExtended strand (participates in β ladder)trans-132.6112.4173.4-175.10000107.9H171 G175 R176 L178 H183H171-V173 PolarHBondContact O-N 3.11Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 2.82Å; V173-G175 VanDerWaalsContact O-N 3.16Å; V173-R176 PolarHBondContact N-O 2.79Å; V173-R176 WeakPolarHBondContact O-CA 3.39Å; V173-R176 VanDerWaalsContact O-CB 3.26Å; V173-R176 WeakPolarHBondContact O-CB 3.47Å; V173-R176 PolarHBondContact O-N 3.1Å; V173-L178 HydrophobicContact CB-CD1 4.46Å; V173-L178 HydrophobicContact CG2-CD1 4.23Å; V173-H183 VanDerWaalsContact CG2-CD2 3.47Å; V173-H183 WeakPolarHBondContact CG2-CD2 3.25Å
174D68.1Low71.2Confident161 Ų16174.6 Ų74.686%0.86138%0.381SS*.THydrogen-bonded Turntrans49.841.3178.4-56.3-35.1000114.9R176D174-R176 VanDerWaalsContact C-N 3.29Å; D174-R176 PolarHBondContact O-N 3.01Å
175G64.9Low72.4Confident45 Ų4573.4 Ų73.446%0.46437%0.372SS..THydrogen-bonded Turntrans83.4-0.4-179.300000114.9V173V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 2.82Å; V173-G175 VanDerWaalsContact O-N 3.16Å
176R74.9Confident73.3Confident116 Ų11672 Ų7244%0.43836%0.355SS..EExtended strand (participates in β ladder)trans-99.8152.3174.9-52.6-177.9-179.6-148.79110.3E155 P172 V173 D174E155-R176 WeakPolarHBondContact OE1-CD 3.28Å; E155-R176 IonicContact OE1-CZ 3.44Å; E155-R176 VanDerWaalsContact OE1-CZ 3.31Å; E155-R176 IonicContact OE1-NE 2.7Å; E155-R176 PolarHBondContact OE1-NE 3.21Å; E155-R176 IonicContact OE1-NH1 3.02Å; E155-R176 PolarHBondContact OE1-NH1 2.87Å; E155-R176 WeakPolarHBondContact OE2-CB 3.47Å; E155-R176 WeakPolarHBondContact OE2-CD 3.43Å; E155-R176 WeakPolarHBondContact OE2-CG 3.05Å; P172-R176 CarbonylContact C-O 3.53Å; P172-R176 VanDerWaalsContact CA-O 3.28Å; P172-R176 WeakPolarHBondContact CA-O 3.18Å; V173-R176 PolarHBondContact N-O 2.79Å; V173-R176 WeakPolarHBondContact O-CA 3.39Å; V173-R176 VanDerWaalsContact O-CB 3.26Å; V173-R176 WeakPolarHBondContact O-CB 3.47Å; V173-R176 PolarHBondContact O-N 3.1Å; D174-R176 VanDerWaalsContact C-N 3.29Å; D174-R176 PolarHBondContact O-N 3.01Å
177I80.3Confident74Confident8 Ų874 Ų744%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-114.9122176.3-58.8177.5000109.2Y147 Y152 C154 E155 F161 G170Y147-I177 HydrophobicContact CD1-CD1 4.15Å; Y147-I177 HydrophobicContact CE1-CD1 3.34Å; Y152-I177 HydrophobicContact CD2-CD1 3.64Å; Y152-I177 HydrophobicContact CE2-CD1 3.51Å; C154-I177 WeakPolarHBondContact CA-O 3.48Å; E155-I177 PolarHBondContact N-O 2.93Å; F161-I177 HydrophobicContact CD2-CG2 3.96Å; F161-I177 HydrophobicContact CE2-CB 4.2Å; F161-I177 HydrophobicContact CE2-CG2 3.27Å; F161-I177 HydrophobicContact CZ-CG2 3.9Å; G170-I177 VanDerWaalsContact CA-CG2 3.49Å
178L80.3Confident74.8Confident1 Ų176.5 Ų76.51%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-116.9142.7-178.9-57.7177.1000111.1E155 D156 H171 V173 C182 H183 R186E155-L178 HydrophobicContact CB-CD2 4.09Å; D156-L178 HydrophobicContact CB-CD2 4.46Å; H171-L178 PolarHBondContact N-O 3.36Å; H171-L178 PolarHBondContact O-N 3.4Å; V173-L178 HydrophobicContact CB-CD1 4.46Å; V173-L178 HydrophobicContact CG2-CD1 4.23Å; L178-C182 HydrophobicContact CB-CB 4.41Å; L178-H183 HydrophobicContact CB-CB 4.12Å; L178-R186 VanDerWaalsContact CD1-NH1 3.33Å
179C84.1Confident75.1Confident14 Ų1471.4 Ų71.410%0.09536%0.364CS..  trans-69.6155.8167.974.80000109.1C154 F161 K181 C182 H183C154-C179 HydrophobicContact CB-CB 4.06Å; C154-C179 PolarHBondContact SG-N 3.32Å; F161-C179 HydrophobicContact CE1-CB 3.63Å; F161-C179 HydrophobicContact CZ-CB 4.03Å; C179-K181 PolarHBondContact O-N 2.65Å; C179-K181 VanDerWaalsContact O-N 3.08Å; C179-C182 PolarHBondContact O-N 3.49Å; C179-C182 PolarHBondContact SG-SG 3.46Å; C179-H183 WeakPolarHBondContact O-CB 3.48Å; C179-H183 PolarHBondContact O-N 3.45Å
180T81.4Confident74.4Confident59 Ų5971.9 Ų71.936%0.36238%0.375SS..Hα-helixtrans-51.7-39.4-177.5-470000112.8H171 H183 T184H171-T180 PolarHBondContact NE2-OG1 2.95Å; T180-H183 PolarHBondContact O-N 2.94Å; T180-T184 WeakPolarHBondContact O-CB 2.92Å; T180-T184 PolarHBondContact O-N 3.07Å; T180-T184 PolarHBondContact O-OG1 3.47Å
181K82.8Confident73.8Confident168 Ų16878.3 Ų78.373%0.7341%0.407SS*.Hα-helixtrans-62.6-48177.3-64.1-175.9-178.8-178.40112.5C179 K185C179-K181 PolarHBondContact O-N 2.65Å; C179-K181 VanDerWaalsContact O-N 3.08Å; K181-K185 WeakPolarHBondContact O-CB 3.21Å; K181-K185 PolarHBondContact O-N 3.06Å
182C83.6Confident72.8Confident20 Ų2082.2 Ų82.214%0.13543%0.43CS..Hα-helixtrans-70-37.5179.3-66.30000111.6D156 L178 C179 K185 R186D156-C182 HydrophobicContact CB-CB 4.02Å; L178-C182 HydrophobicContact CB-CB 4.41Å; C179-C182 PolarHBondContact O-N 3.49Å; C179-C182 PolarHBondContact SG-SG 3.46Å; C182-K185 PolarHBondContact O-N 2.91Å; C182-R186 PolarHBondContact O-N 3.04Å
183H83.4Confident71.7Confident47 Ų4782.5 Ų82.522%0.21843%0.431CS..Hα-helixtrans-59.8-53.6174-178.3-117.3000111.5H171 V173 L178 C179 T180 K185 R186 T187H171-H183 HydrophobicContact CB-CB 4.1Å; H171-H183 AromaticContact CG-CG 3.97Å; H171-H183 AromaticContact CG-ND1 3.83Å; H171-H183 AromaticContact ND1-ND1 3.87Å; V173-H183 VanDerWaalsContact CG2-CD2 3.47Å; V173-H183 WeakPolarHBondContact CG2-CD2 3.25Å; L178-H183 HydrophobicContact CB-CB 4.12Å; C179-H183 WeakPolarHBondContact O-CB 3.48Å; C179-H183 PolarHBondContact O-N 3.45Å; T180-H183 PolarHBondContact O-N 2.94Å; H183-K185 PolarHBondContact O-N 3.46Å; H183-R186 PolarHBondContact O-N 3.24Å; H183-R186 VanDerWaalsContact O-N 3.14Å; H183-T187 WeakPolarHBondContact O-CG2 3.21Å; H183-T187 PolarHBondContact O-N 3.26Å; H183-T187 PolarHBondContact O-OG1 3.35Å
184T82.7Confident70.4Confident52 Ų5288.1 Ų88.132%0.31946%0.459SS..Hα-helixtrans-60.9-34.1177.4-550000112.3T180 T187 K188T180-T184 WeakPolarHBondContact O-CB 2.92Å; T180-T184 PolarHBondContact O-N 3.07Å; T180-T184 PolarHBondContact O-OG1 3.47Å; T184-T187 WeakPolarHBondContact CA-OG1 3.19Å; T184-T187 PolarHBondContact O-OG1 3.38Å; T184-K188 HydrophobicContact CG2-CD 4.04Å; T184-K188 HydrophobicContact CG2-CG 4.4Å; T184-K188 WeakPolarHBondContact O-CB 3.4Å; T184-K188 VanDerWaalsContact O-CG 3.25Å; T184-K188 WeakPolarHBondContact O-CG 3.49Å; T184-K188 PolarHBondContact O-N 3.3Å; T184-K188 VanDerWaalsContact O-N 3.07Å
185K83.6Confident69.2Low148 Ų14888 Ų8864%0.64346%0.458SS*.Hα-helixtrans-65.7-46.8175-170.1179.1-179.8-1760111.1K181 C182 H183 I189K181-K185 WeakPolarHBondContact O-CB 3.21Å; K181-K185 PolarHBondContact O-N 3.06Å; C182-K185 PolarHBondContact O-N 2.91Å; H183-K185 PolarHBondContact O-N 3.46Å; K185-I189 HydrophobicContact CG-CD1 4.14Å; K185-I189 WeakPolarHBondContact O-CD1 3.33Å; K185-I189 VanDerWaalsContact O-CG1 3.25Å; K185-I189 WeakPolarHBondContact O-CG1 3.22Å; K185-I189 PolarHBondContact O-N 2.94Å; K185-I189 VanDerWaalsContact O-N 3.13Å
186R77.7Confident68Low88 Ų8895.5 Ų95.533%0.33250%0.502SS..Hα-helixtrans-62.3-47.5176.2-92.4-162.8170108.43.6112.3D156 L178 C182 H183 K188 I189 C190D156-R186 IonicContact OD1-CZ 3.53Å; D156-R186 IonicContact OD1-NH1 2.7Å; D156-R186 PolarHBondContact OD1-NH1 2.85Å; D156-R186 IonicContact OD1-NH2 2.92Å; D156-R186 PolarHBondContact OD1-NH2 3.02Å; D156-R186 IonicContact OD2-CZ 3.31Å; D156-R186 IonicContact OD2-NH1 2.64Å; D156-R186 PolarHBondContact OD2-NH1 2.85Å; L178-R186 VanDerWaalsContact CD1-NH1 3.33Å; C182-R186 PolarHBondContact O-N 3.04Å; H183-R186 PolarHBondContact O-N 3.24Å; H183-R186 VanDerWaalsContact O-N 3.14Å; R186-K188 VanDerWaalsContact C-N 3.33Å; R186-K188 PolarHBondContact O-N 3.11Å; R186-I189 PolarHBondContact O-N 3.22Å; R186-I189 VanDerWaalsContact O-N 3.13Å; R186-C190 PolarHBondContact O-N 3.05Å; R186-C190 PolarHBondContact O-SG 3.35Å; R186-C190 VanDerWaalsContact O-SG 3.38Å
187T72.7Confident67.6Low56 Ų5694.5 Ų94.534%0.34451%0.505SS..Hα-helixtrans-65.4-35.7-178.453.40000112.7H183 T184 C190 L191H183-T187 WeakPolarHBondContact O-CG2 3.21Å; H183-T187 PolarHBondContact O-N 3.26Å; H183-T187 PolarHBondContact O-OG1 3.35Å; T184-T187 WeakPolarHBondContact CA-OG1 3.19Å; T184-T187 PolarHBondContact O-OG1 3.38Å; T187-C190 PolarHBondContact O-N 3.35Å; T187-L191 WeakPolarHBondContact O-CD1 3.36Å; T187-L191 WeakPolarHBondContact O-CG 3.48Å; T187-L191 PolarHBondContact O-N 3.22Å; T187-L191 VanDerWaalsContact O-N 3.16Å
188K70.4Confident67Low139 Ų13999.1 Ų99.160%0.60453%0.53SS*.Hα-helixtrans-68.3-32.6172.9-75.5179179.1-178.90113.5T184 R186 N192T184-K188 HydrophobicContact CG2-CD 4.04Å; T184-K188 HydrophobicContact CG2-CG 4.4Å; T184-K188 WeakPolarHBondContact O-CB 3.4Å; T184-K188 VanDerWaalsContact O-CG 3.25Å; T184-K188 WeakPolarHBondContact O-CG 3.49Å; T184-K188 PolarHBondContact O-N 3.3Å; T184-K188 VanDerWaalsContact O-N 3.07Å; R186-K188 VanDerWaalsContact C-N 3.33Å; R186-K188 PolarHBondContact O-N 3.11Å; K188-N192 PolarHBondContact O-N 3.1Å
189I61.7Low66.2Low97 Ų97104.5 Ų104.550%0.49756%0.559SS.*Hα-helixtrans-68.5-45.5175.1-69.3164000109.9K185 R186 L191 N192 T193K185-I189 HydrophobicContact CG-CD1 4.14Å; K185-I189 WeakPolarHBondContact O-CD1 3.33Å; K185-I189 VanDerWaalsContact O-CG1 3.25Å; K185-I189 WeakPolarHBondContact O-CG1 3.22Å; K185-I189 PolarHBondContact O-N 2.94Å; K185-I189 VanDerWaalsContact O-N 3.13Å; R186-I189 PolarHBondContact O-N 3.22Å; R186-I189 VanDerWaalsContact O-N 3.13Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 2.9Å; I189-N192 PolarHBondContact O-N 3.49Å; I189-T193 PolarHBondContact O-N 2.91Å; I189-T193 PolarHBondContact O-OG1 2.93Å
190C53Low65.2Low89 Ų89109.8 Ų109.860%0.60159%0.586SS**Hα-helixtrans-61.5-33.7177.7-64.10000113.2R186 T187 N192 T193R186-C190 PolarHBondContact O-N 3.05Å; R186-C190 PolarHBondContact O-SG 3.35Å; R186-C190 VanDerWaalsContact O-SG 3.38Å; T187-C190 PolarHBondContact O-N 3.35Å; C190-N192 VanDerWaalsContact C-N 3.28Å; C190-N192 PolarHBondContact O-N 3.45Å; C190-T193 PolarHBondContact O-N 2.77Å; C190-T193 VanDerWaalsContact O-O 3.08Å
191L54.3Low64.2Low141 Ų141113 Ų11374%0.73860%0.6SS**Hα-helixtrans-69.7-22175.6-76.4160.5000113.7T187 I189T187-L191 WeakPolarHBondContact O-CD1 3.36Å; T187-L191 WeakPolarHBondContact O-CG 3.48Å; T187-L191 PolarHBondContact O-N 3.22Å; T187-L191 VanDerWaalsContact O-N 3.16Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 2.9Å
192N49.2Very low62.9Low152 Ų152109.3 Ų109.381%0.81359%0.591SS**Hα-helixtrans-94-10.3178.4-94.611.5000113.6K188 I189 C190K188-N192 PolarHBondContact O-N 3.1Å; I189-N192 PolarHBondContact O-N 3.49Å; C190-N192 VanDerWaalsContact C-N 3.28Å; C190-N192 PolarHBondContact O-N 3.45Å
193T47.2Very low61.4Low87 Ų87115.7 Ų115.753%0.53462%0.624SS.*SBendtrans-120.894.4174.352.70000108.7I189 C190 N195I189-T193 PolarHBondContact O-N 2.91Å; I189-T193 PolarHBondContact O-OG1 2.93Å; C190-T193 PolarHBondContact O-N 2.77Å; C190-T193 VanDerWaalsContact O-O 3.08Å; T193-N195 VanDerWaalsContact C-N 3.3Å; T193-N195 PolarHBondContact O-N 3.29Å
194N43Very low59.7Low162 Ų162121 Ų12187%0.86666%0.655SS**  trans-55.595.3162.4-87.2-29.9000109.2
195N42.1Very low57.8Low158 Ų158126.8 Ų126.885%0.84568%0.683SS**  trans-168.1132.5144.7-104.2-21.3000110.4T193T193-N195 VanDerWaalsContact C-N 3.3Å; T193-N195 PolarHBondContact O-N 3.29Å
196C39.2Very low55.5Low204 Ų204124.8 Ų124.8100%1.37869%0.687SS**  trans-47.30-177.6-62.80000115.4

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