A0A061IJB5_CRIGR Loading...

PC4 and SFRS1-interacting protein

Transcriptional coactivator involved in neuroepithelial stem cell differentiation and neurogenesis. Involved in particular in lens epithelial cell gene regulation and stress responses. May play an important role in lens epithelial to fiber cell terminal differentiation. May play a protective role during stress-induced apoptosis.

AlphaFold DB , UniProt , Accession A0A061IJB5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Psip1, Length 529 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
1M42.5Very low82.8Confident232 Ų23290.9 Ų90.9100%1.14348%0.478SS*.  0149.30-64.967.5175.100108.5
2T59.4Low84Confident101 Ų10183.3 Ų83.362%0.6244%0.438SS*.  trans-65.1145.215136.30000108.4P55T2-P55 HydrophobicContact CG2-CB 4.44Å
3R73.7Confident85Confident136 Ų13676.9 Ų76.951%0.51341%0.405SS..  trans-91.1133.3166.8-75.1-177.8172.1131.2-11.4108.4F5 E63R3-F5 HydrophobicContact CB-CE2 4.08Å; R3-F5 HydrophobicContact CB-CZ 4.12Å; R3-F5 WeakPolarHBondContact O-CD2 3.48Å; R3-F5 WeakPolarHBondContact O-CE2 3.17Å; R3-F5 PolarHBondContact O-N 3.09Å; R3-F5 VanDerWaalsContact O-N 3.16Å; R3-E63 VanDerWaalsContact CZ-CD 3.47Å; R3-E63 IonicContact CZ-OE1 3.59Å; R3-E63 IonicContact CZ-OE2 3.63Å; R3-E63 IonicContact NE-OE1 3.68Å; R3-E63 IonicContact NH1-OE1 3.41Å; R3-E63 PolarHBondContact NH1-OE1 3.07Å; R3-E63 IonicContact NH1-OE2 4Å; R3-E63 PolarHBondContact NH1-OE2 2.95Å; R3-E63 IonicContact NH2-OE1 2.95Å; R3-E63 PolarHBondContact NH2-OE1 2.78Å; R3-E63 IonicContact NH2-OE2 2.78Å; R3-E63 PolarHBondContact NH2-OE2 2.95Å
4D82.9Confident85.9Confident129 Ų12975.6 Ų75.669%0.6939%0.394SS*.  trans-87.483-178-55.8-49.6000110.2
5F89.4Confident86.5Confident30 Ų3075.3 Ų75.313%0.13239%0.391CS..  trans-65.3140.7179.1-58.6-86.5000111.9R3 D9 I11 V25 L40 I58 P60R3-F5 HydrophobicContact CB-CE2 4.08Å; R3-F5 HydrophobicContact CB-CZ 4.12Å; R3-F5 WeakPolarHBondContact O-CD2 3.48Å; R3-F5 WeakPolarHBondContact O-CE2 3.17Å; R3-F5 PolarHBondContact O-N 3.09Å; R3-F5 VanDerWaalsContact O-N 3.16Å; F5-D9 VanDerWaalsContact CA-OD2 3.22Å; F5-D9 WeakPolarHBondContact CA-OD2 3.22Å; F5-D9 HydrophobicContact CD1-CB 4.43Å; F5-I11 HydrophobicContact CD1-CG2 3.83Å; F5-I11 HydrophobicContact CE1-CG2 3.8Å; F5-V25 HydrophobicContact CB-CG2 3.99Å; F5-L40 HydrophobicContact CB-CD1 3.8Å; F5-L40 HydrophobicContact CD2-CD1 4.36Å; F5-L40 HydrophobicContact CG-CD1 4.49Å; F5-I58 HydrophobicContact CD1-CG2 4.12Å; F5-I58 HydrophobicContact CD2-CG2 3.83Å; F5-I58 HydrophobicContact CE1-CG2 3.84Å; F5-I58 HydrophobicContact CE2-CB 4.11Å; F5-I58 HydrophobicContact CE2-CG2 3.54Å; F5-I58 HydrophobicContact CG-CG2 4.11Å; F5-I58 HydrophobicContact CZ-CB 4.39Å; F5-I58 HydrophobicContact CZ-CG2 3.55Å; F5-P60 HydrophobicContact CE1-CB 4.46Å; F5-P60 HydrophobicContact CE1-CG 3.88Å; F5-P60 HydrophobicContact CZ-CG 4.04Å
6K91.1Very high86.9Confident133 Ų13383.3 Ų83.358%0.57842%0.422SS*.  trans-111.1156.7-179.3-51.3-168.6-166.8-470110.7G8 D9 V25K6-G8 PolarHBondContact O-N 3.16Å; K6-D9 PolarHBondContact N-OD2 2.77Å; K6-D9 VanDerWaalsContact O-CB 3.25Å; K6-D9 WeakPolarHBondContact O-CB 3.44Å; K6-D9 PolarHBondContact O-N 2.72Å; K6-V25 WeakPolarHBondContact O-CB 3.48Å
7P91.4Very high87.3Confident78 Ų7881.4 Ų81.451%0.50643%0.428SS..THydrogen-bonded Turntrans-53.2135.7168.9-24.334.8000111.4E27P7-E27 HydrophobicContact CB-CB 4.47Å; P7-E27 HydrophobicContact CB-CG 3.59Å; P7-E27 HydrophobicContact CG-CG 4.34Å
8G92.1Very high87.8Confident45 Ų4583.4 Ų83.446%0.46443%0.43SS..THydrogen-bonded Turntrans91.6-16.7-172.200000115.2K6 L10 V25K6-G8 PolarHBondContact O-N 3.16Å; G8-L10 PolarHBondContact O-N 2.73Å; G8-V25 PolarHBondContact N-O 2.86Å
9D95.3Very high88.2Confident59 Ų5980.5 Ų80.532%0.31642%0.417SS..  trans-62.6128.5-179.5-80.3-9.4000111.9F5 K6 R24 V25F5-D9 VanDerWaalsContact CA-OD2 3.22Å; F5-D9 WeakPolarHBondContact CA-OD2 3.22Å; F5-D9 HydrophobicContact CD1-CB 4.43Å; K6-D9 PolarHBondContact N-OD2 2.77Å; K6-D9 VanDerWaalsContact O-CB 3.25Å; K6-D9 WeakPolarHBondContact O-CB 3.44Å; K6-D9 PolarHBondContact O-N 2.72Å; D9-R24 CarbonylContact O-C 3.03Å; D9-R24 VanDerWaalsContact O-CA 3.22Å; D9-R24 WeakPolarHBondContact O-CA 3.43Å; D9-V25 HydrophobicContact CB-CG2 4.3Å; D9-V25 PolarHBondContact O-N 2.74Å
10L96.3Very high88.7Confident57 Ų5778.3 Ų78.330%0.29840%0.404SS..EExtended strand (participates in β ladder)trans-81.1128.8177-56.3-172.7000110.8G8 R24 F45 Y61 I84 P88G8-L10 PolarHBondContact O-N 2.73Å; L10-R24 HydrophobicContact CD2-CB 4.01Å; L10-F45 HydrophobicContact CD2-CE2 4.17Å; L10-F45 HydrophobicContact CD2-CZ 4.11Å; L10-Y61 VanDerWaalsContact C-CB 3.43Å; L10-Y61 HydrophobicContact CB-CG 4.32Å; L10-Y61 WeakPolarHBondContact O-CB 3.25Å; L10-Y61 PolarHBondContact O-N 3.35Å; L10-I84 HydrophobicContact CB-CD1 4.28Å; L10-I84 HydrophobicContact CB-CG1 4.34Å; L10-I84 HydrophobicContact CD1-CG1 4.12Å; L10-I84 HydrophobicContact CD2-CG1 4.23Å; L10-I84 HydrophobicContact CG-CG1 4.46Å; L10-P88 HydrophobicContact CD1-CB 4.06Å; L10-P88 HydrophobicContact CD2-CB 3.81Å
11I96.9Very high89.2Confident0 Ų075.2 Ų75.20%039%0.387CS..EExtended strand (participates in β ladder)trans-139.1165.9-171.558.7160.9000112.2F5 A13 A23 V25 I42 I58 F59F5-I11 HydrophobicContact CD1-CG2 3.83Å; F5-I11 HydrophobicContact CE1-CG2 3.8Å; I11-A13 HydrophobicContact CD1-CB 4.25Å; I11-A23 HydrophobicContact CD1-CB 4.15Å; I11-A23 HydrophobicContact CG1-CB 3.93Å; I11-A23 VanDerWaalsContact CG1-O 3.31Å; I11-A23 WeakPolarHBondContact CG1-O 3.48Å; I11-A23 PolarHBondContact N-O 3.41Å; I11-A23 PolarHBondContact O-N 3.01Å; I11-V25 HydrophobicContact CD1-CG2 4.42Å; I11-I42 HydrophobicContact CD1-CD1 3.6Å; I11-I42 HydrophobicContact CD1-CG1 4.24Å; I11-I42 HydrophobicContact CD1-CG2 3.98Å; I11-I58 HydrophobicContact CB-CG2 4.07Å; I11-I58 HydrophobicContact CD1-CG1 4.37Å; I11-I58 HydrophobicContact CD1-CG2 3.72Å; I11-I58 HydrophobicContact CG1-CG2 4.5Å; I11-I58 HydrophobicContact CG2-CG2 3.71Å; I11-F59 CarbonylContact C-O 3.55Å; I11-F59 WeakPolarHBondContact CA-O 3.37Å; I11-F59 WeakPolarHBondContact CB-O 3.38Å
12F97.4Very high91.8Very high0 Ų064.1 Ų64.10%033%0.333CS..EExtended strand (participates in β ladder)trans-100.8128150.7-71.8-83.8000109.6H20 W21 P22 F59 Y61 N64 Y68 L81F12-H20 HydrophobicContact CB-CB 4.12Å; F12-H20 HydrophobicContact CD1-CB 4.36Å; F12-W21 CarbonylContact C-O 3.56Å; F12-W21 VanDerWaalsContact CA-O 3.28Å; F12-W21 WeakPolarHBondContact CA-O 3.19Å; F12-P22 HydrophobicContact CE1-CB 4.4Å; F12-F59 HydrophobicContact CB-CB 4.24Å; F12-F59 PolarHBondContact N-O 3.27Å; F12-F59 WeakPolarHBondContact O-CB 2.94Å; F12-F59 PolarHBondContact O-N 2.77Å; F12-Y61 AromaticContact CD2-CD2 3.86Å; F12-Y61 HydrophobicContact CD2-CD2 3.86Å; F12-Y61 HydrophobicContact CE1-CD2 4.36Å; F12-Y61 HydrophobicContact CE1-CE2 4.26Å; F12-Y61 AromaticContact CE2-CD2 3.26Å; F12-Y61 HydrophobicContact CE2-CD2 3.26Å; F12-Y61 AromaticContact CE2-CE2 3.62Å; F12-Y61 HydrophobicContact CE2-CE2 3.62Å; F12-Y61 HydrophobicContact CE2-CG 4.15Å; F12-Y61 AromaticContact CZ-CD2 3.57Å; F12-Y61 HydrophobicContact CZ-CD2 3.57Å; F12-Y61 AromaticContact CZ-CE2 3.43Å; F12-Y61 HydrophobicContact CZ-CE2 3.43Å; F12-Y61 VanDerWaalsContact CZ-CE2 3.43Å; F12-N64 HydrophobicContact CD2-CB 4.12Å; F12-Y68 HydrophobicContact CB-CD2 4.06Å; F12-Y68 HydrophobicContact CD2-CD2 4.15Å; F12-Y68 HydrophobicContact CG-CD2 4.02Å; F12-Y68 HydrophobicContact CG-CG 4.5Å; F12-L81 HydrophobicContact CE1-CD2 4.04Å; F12-L81 HydrophobicContact CZ-CD2 4.36Å
13A97.3Very high93.6Very high0 Ų059.3 Ų59.30%030%0.303CS..EExtended strand (participates in β ladder)trans-102.1138.9178.600000111.1I11 W21 A23 I42 F44 L53 D57I11-A13 HydrophobicContact CD1-CB 4.25Å; A13-W21 PolarHBondContact N-O 3.44Å; A13-W21 PolarHBondContact O-N 2.9Å; A13-A23 HydrophobicContact CB-CB 3.75Å; A13-I42 HydrophobicContact CB-CG2 3.86Å; A13-F44 HydrophobicContact CB-CD1 4.27Å; A13-F44 HydrophobicContact CB-CE1 3.47Å; A13-F44 VanDerWaalsContact CB-CE1 3.47Å; A13-F44 HydrophobicContact CB-CZ 3.91Å; A13-L53 HydrophobicContact CB-CD1 3.76Å; A13-D57 CarbonylContact C-O 3.54Å; A13-D57 WeakPolarHBondContact CA-O 3.49Å
14K96.6Very high94.7Very high58 Ų5853.3 Ų53.325%0.25228%0.281SS..EExtended strand (participates in β ladder)trans-116.8102.5-173.7-175.266.1-172.886.60112.9Y18 D57 F59K14-Y18 PolarHBondContact NZ-O 3.29Å; K14-D57 HydrophobicContact CB-CB 4.34Å; K14-D57 PolarHBondContact N-O 3.04Å; K14-D57 WeakPolarHBondContact O-CB 3.25Å; K14-F59 HydrophobicContact CB-CD2 4.38Å; K14-F59 HydrophobicContact CB-CE2 3.85Å
15M94.6Very high95.2Very high71 Ų7147.2 Ų47.235%0.3525%0.248SC..  trans-97.8155.5173.7-62.6-179.880.700112.7G17 Y18 F44 A51 L53M15-G17 PolarHBondContact O-N 3.04Å; M15-Y18 HydrophobicContact CB-CD2 4.23Å; M15-Y18 HydrophobicContact CB-CG 4.46Å; M15-Y18 PolarHBondContact O-N 3.09Å; M15-F44 HydrophobicContact CG-CE1 4.24Å; M15-F44 HydrophobicContact CG-CZ 4.05Å; M15-F44 HydrophobicContact SD-CE1 3.79Å; M15-F44 HydrophobicContact SD-CE2 4.13Å; M15-F44 HydrophobicContact SD-CZ 3.44Å; M15-F44 WeakPolarHBondContact SD-CZ 3.19Å; M15-A51 HydrophobicContact CE-CB 4.43Å; M15-L53 HydrophobicContact CG-CD1 4.4Å; M15-L53 HydrophobicContact CG-CD2 4.3Å
16K94.1Very high95.3Very high204 Ų20446.8 Ų46.889%0.88725%0.247SC*.THydrogen-bonded Turntrans-64.2125176.1177.165.1176.5-174.10110Y18K16-Y18 VanDerWaalsContact C-N 3.32Å; K16-Y18 WeakPolarHBondContact O-CD2 3.24Å; K16-Y18 PolarHBondContact O-N 2.84Å
17G94Very high95Very high51 Ų5146.2 Ų46.253%0.52625%0.247SC..THydrogen-bonded Turntrans820.9-179.400000115.5M15 R74M15-G17 PolarHBondContact O-N 3.04Å; G17-R74 VanDerWaalsContact O-CZ 3.28Å; G17-R74 PolarHBondContact O-NH1 2.94Å; G17-R74 VanDerWaalsContact O-NH1 3.11Å; G17-R74 PolarHBondContact O-NH2 3.44Å
18Y95.1Very high94.2Very high117 Ų11745.2 Ų45.246%0.45924%0.239SC..SBendtrans-114.6158.9176.9-72-102.4000111.4K14 M15 K16 W21 R74K14-Y18 PolarHBondContact NZ-O 3.29Å; M15-Y18 HydrophobicContact CB-CD2 4.23Å; M15-Y18 HydrophobicContact CB-CG 4.46Å; M15-Y18 PolarHBondContact O-N 3.09Å; K16-Y18 VanDerWaalsContact C-N 3.32Å; K16-Y18 WeakPolarHBondContact O-CD2 3.24Å; K16-Y18 PolarHBondContact O-N 2.84Å; Y18-W21 HydrophobicContact CD1-CE3 4.09Å; Y18-W21 AromaticContact CD1-CZ3 3.91Å; Y18-W21 HydrophobicContact CD1-CZ3 3.91Å; Y18-R74 VanDerWaalsContact CE1-NH1 3.32Å
19P96.4Very high93Very high28 Ų2847.5 Ų47.518%0.18225%0.246CC..  trans-63178165.730.4-36.9000111.5W21 F77P19-W21 HydrophobicContact CG-CE3 3.82Å; P19-W21 HydrophobicContact CG-CZ3 4.1Å; P19-W21 PolarHBondContact O-N 2.98Å; P19-F77 HydrophobicContact CB-CE2 3.89Å; P19-F77 HydrophobicContact CB-CZ 4.48Å; P19-F77 HydrophobicContact CG-CD2 3.7Å; P19-F77 HydrophobicContact CG-CE2 3.5Å; P19-F77 VanDerWaalsContact CG-CE2 3.5Å; P19-F77 HydrophobicContact CG-CZ 4.45Å
20H97.8Very high91Very high37 Ų3753 Ų5317%0.17128%0.275CS..EExtended strand (participates in β ladder)trans-70.3112162.3-67.293.2000107.5F12 F59 Y68 F77F12-H20 HydrophobicContact CB-CB 4.12Å; F12-H20 HydrophobicContact CD1-CB 4.36Å; H20-F59 AromaticContact CD2-CD2 3.78Å; H20-F59 AromaticContact CD2-CE2 3.82Å; H20-F59 AromaticContact NE2-CE2 3.82Å; H20-Y68 HydrophobicContact CB-CD1 3.98Å; H20-Y68 HydrophobicContact CB-CD2 3.56Å; H20-Y68 HydrophobicContact CB-CE1 4.47Å; H20-Y68 HydrophobicContact CB-CE2 4.09Å; H20-Y68 HydrophobicContact CB-CG 3.51Å; H20-Y68 AromaticContact CD2-CD2 3.8Å; H20-Y68 AromaticContact CD2-CE2 3.38Å; H20-Y68 WeakPolarHBondContact CD2-CE2 3.46Å; H20-Y68 AromaticContact CD2-CZ 3.63Å; H20-Y68 AromaticContact CE1-CE1 3.41Å; H20-Y68 VanDerWaalsContact CE1-CE1 3.41Å; H20-Y68 WeakPolarHBondContact CE1-CE1 3.45Å; H20-Y68 AromaticContact CE1-CE2 3.89Å; H20-Y68 AromaticContact CE1-CZ 3.28Å; H20-Y68 PolarHBondContact CE1-OH 3.04Å; H20-Y68 AromaticContact CG-CD1 3.8Å; H20-Y68 AromaticContact CG-CD2 3.56Å; H20-Y68 AromaticContact CG-CE1 3.8Å; H20-Y68 AromaticContact CG-CE2 3.55Å; H20-Y68 AromaticContact CG-CG 3.71Å; H20-Y68 AromaticContact CG-CZ 3.68Å; H20-Y68 AromaticContact ND1-CD1 3.49Å; H20-Y68 WeakPolarHBondContact ND1-CD1 3.3Å; H20-Y68 AromaticContact ND1-CE1 3.25Å; H20-Y68 VanDerWaalsContact ND1-CE1 3.25Å; H20-Y68 WeakPolarHBondContact ND1-CE1 3.47Å; H20-Y68 AromaticContact ND1-CE2 3.85Å; H20-Y68 AromaticContact ND1-CG 3.92Å; H20-Y68 AromaticContact ND1-CZ 3.46Å; H20-Y68 AromaticContact NE2-CE2 3.65Å; H20-Y68 AromaticContact NE2-CZ 3.41Å; H20-Y68 PolarHBondContact NE2-OH 3.48Å; H20-F77 VanDerWaalsContact O-CE2 3.28Å; H20-F77 WeakPolarHBondContact O-CE2 3.46Å
21W98.1Very high89.2Confident13 Ų1353.9 Ų53.95%0.04930%0.298CS..EExtended strand (participates in β ladder)trans-98.9135.4-168.4-156.7-79.4000111.4F12 A13 Y18 P19 A23 F44 F45 T47 R74 K75 F77F12-W21 CarbonylContact C-O 3.56Å; F12-W21 VanDerWaalsContact CA-O 3.28Å; F12-W21 WeakPolarHBondContact CA-O 3.19Å; A13-W21 PolarHBondContact N-O 3.44Å; A13-W21 PolarHBondContact O-N 2.9Å; Y18-W21 HydrophobicContact CD1-CE3 4.09Å; Y18-W21 AromaticContact CD1-CZ3 3.91Å; Y18-W21 HydrophobicContact CD1-CZ3 3.91Å; P19-W21 HydrophobicContact CG-CE3 3.82Å; P19-W21 HydrophobicContact CG-CZ3 4.1Å; P19-W21 PolarHBondContact O-N 2.98Å; W21-A23 PolarHBondContact O-N 3.31Å; W21-F44 HydrophobicContact CB-CD1 3.96Å; W21-F44 HydrophobicContact CB-CE1 4.27Å; W21-F44 AromaticContact CD1-CD1 3.75Å; W21-F44 AromaticContact CG-CD1 3.94Å; W21-F44 HydrophobicContact CG-CD1 3.94Å; W21-F45 PolarHBondContact NE1-O 2.92Å; W21-T47 HydrophobicContact CZ2-CG2 3.81Å; W21-R74 HydrophobicContact CH2-CB 4.07Å; W21-R74 HydrophobicContact CZ3-CB 4.14Å; W21-K75 VanDerWaalsContact CH2-O 3.29Å; W21-K75 WeakPolarHBondContact CH2-O 3.34Å; W21-F77 AromaticContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CE2 4.36Å; W21-F77 AromaticContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CE2 4.24Å; W21-F77 HydrophobicContact CG-CD2 4.39Å; W21-F77 HydrophobicContact CH2-CB 3.85Å; W21-F77 HydrophobicContact CH2-CD2 4.16Å; W21-F77 HydrophobicContact CZ2-CB 3.99Å; W21-F77 HydrophobicContact CZ2-CD2 4.31Å; W21-F77 HydrophobicContact CZ3-CB 4.27Å; W21-F77 AromaticContact CZ3-CD2 3.81Å; W21-F77 HydrophobicContact CZ3-CD2 3.81Å
22P97.6Very high87.2Confident0 Ų056.6 Ų56.60%032%0.32CS..EExtended strand (participates in β ladder)trans-62.2123.8175.325.7-34.1000110.7F12 F45 L81 I84F12-P22 HydrophobicContact CE1-CB 4.4Å; P22-F45 PolarHBondContact O-N 2.93Å; P22-L81 HydrophobicContact CB-CD2 4.09Å; P22-L81 HydrophobicContact CG-CD2 3.94Å; P22-L81 HydrophobicContact CG-CG 4.23Å; P22-I84 HydrophobicContact CB-CB 4.19Å; P22-I84 HydrophobicContact CB-CD1 3.86Å; P22-I84 HydrophobicContact CB-CG2 3.96Å
23A97.4Very high85.3Confident0 Ų063.4 Ų63.40%036%0.362CS..EExtended strand (participates in β ladder)trans-148.4170.5-174.500000111.3I11 A13 W21 I42 F43 F44 I84I11-A23 HydrophobicContact CD1-CB 4.15Å; I11-A23 HydrophobicContact CG1-CB 3.93Å; I11-A23 VanDerWaalsContact CG1-O 3.31Å; I11-A23 WeakPolarHBondContact CG1-O 3.48Å; I11-A23 PolarHBondContact N-O 3.41Å; I11-A23 PolarHBondContact O-N 3.01Å; A13-A23 HydrophobicContact CB-CB 3.75Å; W21-A23 PolarHBondContact O-N 3.31Å; A23-I42 HydrophobicContact CB-CG2 3.63Å; A23-F43 CarbonylContact C-O 3.55Å; A23-F43 WeakPolarHBondContact CA-O 3.5Å; A23-F43 WeakPolarHBondContact CB-O 3.47Å; A23-F44 HydrophobicContact CB-CD1 4.28Å; A23-I84 WeakPolarHBondContact O-CD1 3.45Å
24R96.3Very high83.4Confident9 Ų972.3 Ų72.33%0.03440%0.4CS..EExtended strand (participates in β ladder)trans-123.7159.7162.765.9165.4-178.4-91-13.3110.4D9 L10 D26 I42 F43 F45 P88 V90D9-R24 CarbonylContact O-C 3.03Å; D9-R24 VanDerWaalsContact O-CA 3.22Å; D9-R24 WeakPolarHBondContact O-CA 3.43Å; L10-R24 HydrophobicContact CD2-CB 4.01Å; R24-D26 IonicContact CZ-OD2 2.77Å; R24-D26 IonicContact NE-OD2 2.71Å; R24-D26 PolarHBondContact NE-OD2 2.8Å; R24-D26 VanDerWaalsContact NE-OD2 3.07Å; R24-D26 IonicContact NH2-OD2 2.73Å; R24-D26 PolarHBondContact NH2-OD2 3.37Å; R24-I42 WeakPolarHBondContact O-CA 3.45Å; R24-F43 HydrophobicContact CG-CB 3.95Å; R24-F43 HydrophobicContact CG-CD1 4.11Å; R24-F43 HydrophobicContact CG-CG 4.44Å; R24-F43 VanDerWaalsContact CZ-CD1 3.41Å; R24-F43 PolarHBondContact N-O 3.08Å; R24-F43 VanDerWaalsContact NH2-CG 3.28Å; R24-F43 PolarHBondContact O-N 2.83Å; R24-F45 HydrophobicContact CB-CE2 3.99Å; R24-F45 HydrophobicContact CB-CZ 4.01Å; R24-F45 HydrophobicContact CG-CE2 4.32Å; R24-F45 HydrophobicContact CG-CZ 4.04Å; R24-P88 PolarHBondContact NH1-O 3.38Å; R24-V90 VanDerWaalsContact CZ-O 3.25Å; R24-V90 PolarHBondContact NH1-O 2.8Å; R24-V90 PolarHBondContact NH2-O 2.83Å
25V94.8Very high81.6Confident2 Ų271.9 Ų71.91%0.01240%0.403CS..EExtended strand (participates in β ladder)trans-71.6131.1156-173.60000107.5F5 K6 G8 D9 I11 L40 P41 I42F5-V25 HydrophobicContact CB-CG2 3.99Å; K6-V25 WeakPolarHBondContact O-CB 3.48Å; G8-V25 PolarHBondContact N-O 2.86Å; D9-V25 HydrophobicContact CB-CG2 4.3Å; D9-V25 PolarHBondContact O-N 2.74Å; I11-V25 HydrophobicContact CD1-CG2 4.42Å; V25-L40 HydrophobicContact CG1-CB 4.26Å; V25-L40 HydrophobicContact CG2-CD1 4.38Å; V25-P41 WeakPolarHBondContact CA-O 3.42Å; V25-I42 HydrophobicContact CB-CD1 4.37Å; V25-I42 HydrophobicContact CG2-CD1 3.87Å
26D91.4Very high80.2Confident21 Ų2171.9 Ų71.911%0.11241%0.409CS..  trans-99.1178.2172.9-136.9-46.6000110.9R24 P41 F43 K91R24-D26 IonicContact CZ-OD2 2.77Å; R24-D26 IonicContact NE-OD2 2.71Å; R24-D26 PolarHBondContact NE-OD2 2.8Å; R24-D26 VanDerWaalsContact NE-OD2 3.07Å; R24-D26 IonicContact NH2-OD2 2.73Å; R24-D26 PolarHBondContact NH2-OD2 3.37Å; D26-P41 PolarHBondContact N-O 3.36Å; D26-P41 WeakPolarHBondContact O-CG 3.5Å; D26-F43 HydrophobicContact CB-CB 4.2Å; D26-F43 WeakPolarHBondContact OD2-CB 3.49Å; D26-K91 IonicContact OD1-NZ 3.17Å; D26-K91 PolarHBondContact OD1-NZ 2.96Å
27E85.2Confident78.9Confident120 Ų12068.6 Ų68.656%0.56141%0.406SS*.PPolyproline II helixtrans-81.3138.3174-66.9155.6135.800109.6P7 P29 K91P7-E27 HydrophobicContact CB-CB 4.47Å; P7-E27 HydrophobicContact CB-CG 3.59Å; P7-E27 HydrophobicContact CG-CG 4.34Å; E27-P29 WeakPolarHBondContact O-CD 3.38Å; E27-K91 IonicContact OE2-NZ 3.51Å; E27-K91 PolarHBondContact OE2-NZ 2.96Å
28V74.7Confident78.3Confident57 Ų5772.4 Ų72.435%0.34541%0.414SS..PPolyproline II helixtrans-69.5125168.2179.90000107D30 P35 P41V28-D30 PolarHBondContact O-N 3.36Å; V28-P35 HydrophobicContact CG1-CB 4.28Å; V28-P35 HydrophobicContact CG1-CG 4.1Å; V28-P35 HydrophobicContact CG2-CB 4.23Å; V28-P35 HydrophobicContact CG2-CG 4.15Å; V28-P41 HydrophobicContact CG2-CG 3.66Å
29P65.6Low78Confident94 Ų9471.9 Ų71.961%0.6142%0.415SS*.PPolyproline II helixtrans-59.9123.3176.8-24.134.7000110.7E27 A32E27-P29 WeakPolarHBondContact O-CD 3.38Å; P29-A32 VanDerWaalsContact O-CB 3.24Å; P29-A32 WeakPolarHBondContact O-CB 3.15Å; P29-A32 PolarHBondContact O-N 3.35Å; P29-A32 VanDerWaalsContact O-N 3.15Å
30D54.3Low77.6Confident175 Ų17572.8 Ų72.894%0.93642%0.418SS*.THydrogen-bonded Turntrans-63.9141.6178.8-166.918.2000110.7V28V28-D30 PolarHBondContact O-N 3.36Å
31G57.6Low77.4Confident75 Ų7571.8 Ų71.877%0.77341%0.414SS*.THydrogen-bonded Turntrans83.4-4.7-168.900000116.1
32A55.7Low77.3Confident56 Ų5671.2 Ų71.246%0.46341%0.412SS..SBendtrans-70.3145.1170.500000112.1P29 K34P29-A32 VanDerWaalsContact O-CB 3.24Å; P29-A32 WeakPolarHBondContact O-CB 3.15Å; P29-A32 PolarHBondContact O-N 3.35Å; P29-A32 VanDerWaalsContact O-N 3.15Å; A32-K34 PolarHBondContact O-N 2.57Å
33V55.8Low77.2Confident144 Ų14471.3 Ų71.387%0.87341%0.412SS*.SBendtrans-54.5129.2173.1177.10000109.3
34K59.1Low77.2Confident186 Ų18671.6 Ų71.681%0.80941%0.414SS*.  trans-30.7120.1-168.5-76.6-177.1175.9177.90113A32A32-K34 PolarHBondContact O-N 2.57Å
35P58.3Low77.2Confident49 Ų4971.2 Ų71.232%0.31841%0.412SS..  trans-57.1142.6178.926-35.6000109.7V28 T37 F52V28-P35 HydrophobicContact CG1-CB 4.28Å; V28-P35 HydrophobicContact CG1-CG 4.1Å; V28-P35 HydrophobicContact CG2-CB 4.23Å; V28-P35 HydrophobicContact CG2-CG 4.15Å; P35-T37 PolarHBondContact O-N 2.83Å; P35-T37 VanDerWaalsContact O-N 3.09Å; P35-F52 HydrophobicContact CB-CE1 4.44Å
36P64.9Low77.3Confident72 Ų7271.5 Ų71.547%0.46842%0.416SS..  trans-55.1121.5-178.8-2533.8000110.1N38 K39P36-N38 PolarHBondContact O-N 3.21Å; P36-K39 HydrophobicContact CB-CB 4.4Å; P36-K39 HydrophobicContact CB-CD 4.29Å; P36-K39 HydrophobicContact CB-CG 4.45Å; P36-K39 PolarHBondContact O-N 3.15Å
37T67.3Low77.4Confident134 Ų13472.8 Ų72.882%0.82243%0.425SS*.THydrogen-bonded Turntrans-60.91.5-160.741.40000117.2P35P35-T37 PolarHBondContact O-N 2.83Å; P35-T37 VanDerWaalsContact O-N 3.09Å
38N80.9Confident77.9Confident132 Ų13269.2 Ų69.271%0.70641%0.408SS*.THydrogen-bonded Turntrans-133.623.2176.5-71.4-88.7000112.5P36 G54 P55P36-N38 PolarHBondContact O-N 3.21Å; N38-G54 WeakPolarHBondContact O-CA 3.24Å; N38-P55 WeakPolarHBondContact O-CD 3.41Å
39K87.9Confident78.8Confident106 Ų10672.1 Ų72.146%0.46142%0.418SS..  trans-135.5137.8178-64.2-175.4168.7-160.70112.1P36 F52 L53P36-K39 HydrophobicContact CB-CB 4.4Å; P36-K39 HydrophobicContact CB-CD 4.29Å; P36-K39 HydrophobicContact CB-CG 4.45Å; P36-K39 PolarHBondContact O-N 3.15Å; K39-F52 HydrophobicContact CB-CB 4.04Å; K39-F52 HydrophobicContact CD-CB 3.92Å; K39-F52 WeakPolarHBondContact CD-O 3.38Å; K39-L53 CarbonylContact C-O 3.53Å; K39-L53 VanDerWaalsContact CA-O 3.24Å; K39-L53 WeakPolarHBondContact CA-O 3.41Å
40L89.9Confident80Confident47 Ų4772.3 Ų72.325%0.24642%0.417CS..EExtended strand (participates in β ladder)trans-100.4144.2175.4-63.2173000110.2F5 V25 I42 F52 L53 I58F5-L40 HydrophobicContact CB-CD1 3.8Å; F5-L40 HydrophobicContact CD2-CD1 4.36Å; F5-L40 HydrophobicContact CG-CD1 4.49Å; V25-L40 HydrophobicContact CG1-CB 4.26Å; V25-L40 HydrophobicContact CG2-CD1 4.38Å; L40-I42 HydrophobicContact CB-CD1 4.1Å; L40-I42 PolarHBondContact O-N 3.4Å; L40-F52 WeakPolarHBondContact O-CA 3.22Å; L40-L53 PolarHBondContact N-O 2.83Å; L40-L53 PolarHBondContact O-N 2.75Å; L40-L53 VanDerWaalsContact O-N 3.09Å; L40-I58 HydrophobicContact CB-CD1 4.24Å; L40-I58 HydrophobicContact CD1-CD1 3.96Å
41P93.1Very high81.9Confident16 Ų1665.2 Ų65.210%0.10438%0.383CS..EExtended strand (participates in β ladder)trans-70.9122.2169.131.7-35.2000109.6V25 D26 V28 F52V25-P41 WeakPolarHBondContact CA-O 3.42Å; D26-P41 PolarHBondContact N-O 3.36Å; D26-P41 WeakPolarHBondContact O-CG 3.5Å; V28-P41 HydrophobicContact CG2-CG 3.66Å; P41-F52 HydrophobicContact CB-CD1 4.26Å; P41-F52 HydrophobicContact CB-CE1 3.83Å; P41-F52 HydrophobicContact CB-CZ 4.37Å
42I95.4Very high83.6Confident0 Ų066.2 Ų66.20%037%0.366CS..EExtended strand (participates in β ladder)trans-113129.5-179.6-58.8-46000109.4I11 A13 A23 R24 V25 L40 F44 T50 A51 L53 I58I11-I42 HydrophobicContact CD1-CD1 3.6Å; I11-I42 HydrophobicContact CD1-CG1 4.24Å; I11-I42 HydrophobicContact CD1-CG2 3.98Å; A13-I42 HydrophobicContact CB-CG2 3.86Å; A23-I42 HydrophobicContact CB-CG2 3.63Å; R24-I42 WeakPolarHBondContact O-CA 3.45Å; V25-I42 HydrophobicContact CB-CD1 4.37Å; V25-I42 HydrophobicContact CG2-CD1 3.87Å; L40-I42 HydrophobicContact CB-CD1 4.1Å; L40-I42 PolarHBondContact O-N 3.4Å; I42-F44 HydrophobicContact CB-CE2 4.16Å; I42-F44 HydrophobicContact CB-CZ 4.44Å; I42-F44 HydrophobicContact CG2-CD2 4.22Å; I42-F44 HydrophobicContact CG2-CE1 4.36Å; I42-F44 HydrophobicContact CG2-CE2 3.76Å; I42-F44 HydrophobicContact CG2-CZ 3.84Å; I42-T50 CarbonylContact O-C 3.56Å; I42-T50 WeakPolarHBondContact O-CA 3.31Å; I42-A51 WeakPolarHBondContact CB-O 3.45Å; I42-A51 PolarHBondContact N-O 2.98Å; I42-A51 PolarHBondContact O-N 2.89Å; I42-L53 HydrophobicContact CG1-CB 3.92Å; I42-L53 HydrophobicContact CG1-CD1 4.23Å; I42-L53 HydrophobicContact CG1-CG 4.13Å; I42-I58 HydrophobicContact CD1-CD1 3.87Å; I42-I58 HydrophobicContact CD1-CG1 4.39Å; I42-I58 HydrophobicContact CG1-CD1 4.32Å
43F95.9Very high85.4Confident2 Ų264.5 Ų64.51%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-101.5127.2170.8172.8-87.1000109.9A23 R24 D26 F45 H48 T50 V90 F92A23-F43 CarbonylContact C-O 3.55Å; A23-F43 WeakPolarHBondContact CA-O 3.5Å; A23-F43 WeakPolarHBondContact CB-O 3.47Å; R24-F43 HydrophobicContact CG-CB 3.95Å; R24-F43 HydrophobicContact CG-CD1 4.11Å; R24-F43 HydrophobicContact CG-CG 4.44Å; R24-F43 VanDerWaalsContact CZ-CD1 3.41Å; R24-F43 PolarHBondContact N-O 3.08Å; R24-F43 VanDerWaalsContact NH2-CG 3.28Å; R24-F43 PolarHBondContact O-N 2.83Å; D26-F43 HydrophobicContact CB-CB 4.2Å; D26-F43 WeakPolarHBondContact OD2-CB 3.49Å; F43-F45 HydrophobicContact CD1-CD1 4.27Å; F43-F45 HydrophobicContact CD1-CE1 4.31Å; F43-F45 AromaticContact CE1-CD1 3.79Å; F43-F45 HydrophobicContact CE1-CD1 3.79Å; F43-F45 HydrophobicContact CE1-CE1 4.03Å; F43-F45 HydrophobicContact CE1-CG 4.4Å; F43-H48 AromaticContact CE1-CD2 3.99Å; F43-H48 HydrophobicContact CE2-CB 3.73Å; F43-H48 HydrophobicContact CZ-CB 3.73Å; F43-H48 AromaticContact CZ-CD2 3.43Å; F43-H48 VanDerWaalsContact CZ-CD2 3.43Å; F43-H48 WeakPolarHBondContact CZ-CD2 3.28Å; F43-H48 AromaticContact CZ-CG 3.75Å; F43-T50 HydrophobicContact CB-CG2 4.38Å; F43-T50 HydrophobicContact CD2-CG2 4.07Å; F43-V90 HydrophobicContact CE1-CG1 3.97Å; F43-V90 HydrophobicContact CZ-CG1 4.11Å; F43-V90 WeakPolarHBondContact CZ-O 3.26Å; F43-F92 HydrophobicContact CE2-CB 4.2Å
44F97.1Very high87.1Confident7 Ų758.4 Ų58.43%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-95.5121.1-177.3-66.2-97.1000110.8A13 M15 W21 A23 I42 H48 E49 A51 L53A13-F44 HydrophobicContact CB-CD1 4.27Å; A13-F44 HydrophobicContact CB-CE1 3.47Å; A13-F44 VanDerWaalsContact CB-CE1 3.47Å; A13-F44 HydrophobicContact CB-CZ 3.91Å; M15-F44 HydrophobicContact CG-CE1 4.24Å; M15-F44 HydrophobicContact CG-CZ 4.05Å; M15-F44 HydrophobicContact SD-CE1 3.79Å; M15-F44 HydrophobicContact SD-CE2 4.13Å; M15-F44 HydrophobicContact SD-CZ 3.44Å; M15-F44 WeakPolarHBondContact SD-CZ 3.19Å; W21-F44 HydrophobicContact CB-CD1 3.96Å; W21-F44 HydrophobicContact CB-CE1 4.27Å; W21-F44 AromaticContact CD1-CD1 3.75Å; W21-F44 AromaticContact CG-CD1 3.94Å; W21-F44 HydrophobicContact CG-CD1 3.94Å; A23-F44 HydrophobicContact CB-CD1 4.28Å; I42-F44 HydrophobicContact CB-CE2 4.16Å; I42-F44 HydrophobicContact CB-CZ 4.44Å; I42-F44 HydrophobicContact CG2-CD2 4.22Å; I42-F44 HydrophobicContact CG2-CE1 4.36Å; I42-F44 HydrophobicContact CG2-CE2 3.76Å; I42-F44 HydrophobicContact CG2-CZ 3.84Å; F44-H48 WeakPolarHBondContact O-CA 3.46Å; F44-H48 PolarHBondContact O-N 2.83Å; F44-E49 WeakPolarHBondContact CD2-O 3.18Å; F44-E49 PolarHBondContact N-O 2.8Å; F44-A51 HydrophobicContact CE2-CB 3.89Å; F44-L53 HydrophobicContact CZ-CD1 4.06Å
45F96.6Very high88.6Confident0 Ų052.1 Ų52.10%029%0.294CS..THydrogen-bonded Turntrans-69.2145.4176.2-65.4-75.2000110.8L10 W21 P22 R24 F43 T47 G80 E83 I84 P88 V90L10-F45 HydrophobicContact CD2-CE2 4.17Å; L10-F45 HydrophobicContact CD2-CZ 4.11Å; W21-F45 PolarHBondContact NE1-O 2.92Å; P22-F45 PolarHBondContact O-N 2.93Å; R24-F45 HydrophobicContact CB-CE2 3.99Å; R24-F45 HydrophobicContact CB-CZ 4.01Å; R24-F45 HydrophobicContact CG-CE2 4.32Å; R24-F45 HydrophobicContact CG-CZ 4.04Å; F43-F45 HydrophobicContact CD1-CD1 4.27Å; F43-F45 HydrophobicContact CD1-CE1 4.31Å; F43-F45 AromaticContact CE1-CD1 3.79Å; F43-F45 HydrophobicContact CE1-CD1 3.79Å; F43-F45 HydrophobicContact CE1-CE1 4.03Å; F43-F45 HydrophobicContact CE1-CG 4.4Å; F45-T47 PolarHBondContact O-N 2.86Å; F45-G80 VanDerWaalsContact CB-CA 3.48Å; F45-G80 WeakPolarHBondContact CB-O 3.44Å; F45-G80 WeakPolarHBondContact O-CA 3.28Å; F45-E83 WeakPolarHBondContact CA-OE2 3.21Å; F45-E83 HydrophobicContact CB-CB 4.03Å; F45-E83 HydrophobicContact CD1-CB 3.79Å; F45-E83 HydrophobicContact CG-CB 4.2Å; F45-I84 HydrophobicContact CD2-CB 3.67Å; F45-I84 HydrophobicContact CD2-CD1 3.8Å; F45-I84 HydrophobicContact CD2-CG1 3.87Å; F45-I84 HydrophobicContact CE2-CB 3.83Å; F45-I84 HydrophobicContact CE2-CD1 3.69Å; F45-I84 HydrophobicContact CE2-CG1 3.59Å; F45-I84 HydrophobicContact CG-CB 4.23Å; F45-I84 HydrophobicContact CZ-CB 4.49Å; F45-I84 HydrophobicContact CZ-CG1 4.36Å; F45-P88 WeakPolarHBondContact CE1-O 3.27Å; F45-P88 HydrophobicContact CZ-CB 4.36Å; F45-P88 VanDerWaalsContact CZ-O 3.27Å; F45-P88 WeakPolarHBondContact CZ-O 3.29Å; F45-V90 HydrophobicContact CD1-CG1 3.85Å; F45-V90 HydrophobicContact CE1-CG1 3.9Å
46G95.6Very high90.3Very high9 Ų958.9 Ų58.99%0.09332%0.318CS..THydrogen-bonded Turntrans69.5-0.1-179.100000116.5G76 E83G46-G76 WeakPolarHBondContact CA-O 3.2Å; G46-G76 WeakPolarHBondContact O-CA 3.43Å; G46-E83 PolarHBondContact N-OE2 2.81Å
47T94.9Very high91.7Very high48 Ų4858.6 Ų58.629%0.29431%0.312SS..THydrogen-bonded Turntrans-124.4-19.3158.567.40000112.5W21 F45 E49W21-T47 HydrophobicContact CZ2-CG2 3.81Å; F45-T47 PolarHBondContact O-N 2.86Å; T47-E49 VanDerWaalsContact CB-OE2 3.27Å; T47-E49 WeakPolarHBondContact CB-OE2 3.11Å; T47-E49 PolarHBondContact O-N 3.38Å; T47-E49 PolarHBondContact OG1-OE2 2.91Å
48H94.5Very high93Very high45 Ų4552.6 Ų52.621%0.20828%0.275CS..  trans56.813-176-50.5155.7000114.4F43 F44 E83 F92F43-H48 AromaticContact CE1-CD2 3.99Å; F43-H48 HydrophobicContact CE2-CB 3.73Å; F43-H48 HydrophobicContact CZ-CB 3.73Å; F43-H48 AromaticContact CZ-CD2 3.43Å; F43-H48 VanDerWaalsContact CZ-CD2 3.43Å; F43-H48 WeakPolarHBondContact CZ-CD2 3.28Å; F43-H48 AromaticContact CZ-CG 3.75Å; F44-H48 WeakPolarHBondContact O-CA 3.46Å; F44-H48 PolarHBondContact O-N 2.83Å; H48-E83 IonicContact CD2-OE1 2.64Å; H48-E83 IonicContact CD2-OE2 3.01Å; H48-E83 IonicContact CE1-OE1 2.65Å; H48-E83 PolarHBondContact CE1-OE1 3.35Å; H48-E83 VanDerWaalsContact NE2-CD 3.3Å; H48-E83 IonicContact NE2-OE1 2.82Å; H48-E83 PolarHBondContact NE2-OE1 2.83Å; H48-E83 IonicContact NE2-OE2 2.97Å; H48-E83 PolarHBondContact NE2-OE2 2.81Å; H48-F92 HydrophobicContact CB-CD2 3.46Å; H48-F92 VanDerWaalsContact CB-CD2 3.46Å; H48-F92 HydrophobicContact CB-CE2 3.82Å; H48-F92 HydrophobicContact CB-CG 4.38Å
49E93.4Very high93.7Very high118 Ų11849 Ų4955%0.55125%0.253SS*.  trans-64.1155.7171.6-66.4169.9122.900110.5F44 T47F44-E49 WeakPolarHBondContact CD2-O 3.18Å; F44-E49 PolarHBondContact N-O 2.8Å; T47-E49 VanDerWaalsContact CB-OE2 3.27Å; T47-E49 WeakPolarHBondContact CB-OE2 3.11Å; T47-E49 PolarHBondContact O-N 3.38Å; T47-E49 PolarHBondContact OG1-OE2 2.91Å
50T92.4Very high94.1Very high98 Ų9845 Ų4560%0.60124%0.238SC*.EExtended strand (participates in β ladder)trans-124.6140.4173.956.20000111.4I42 F43I42-T50 CarbonylContact O-C 3.56Å; I42-T50 WeakPolarHBondContact O-CA 3.31Å; F43-T50 HydrophobicContact CB-CG2 4.38Å; F43-T50 HydrophobicContact CD2-CG2 4.07Å
51A93.2Very high94.4Very high26 Ų2643.3 Ų43.322%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-149.5155.5175.100000112.5M15 I42 F44M15-A51 HydrophobicContact CE-CB 4.43Å; I42-A51 WeakPolarHBondContact CB-O 3.45Å; I42-A51 PolarHBondContact N-O 2.98Å; I42-A51 PolarHBondContact O-N 2.89Å; F44-A51 HydrophobicContact CE2-CB 3.89Å
52F93.1Very high94.4Very high96 Ų9647.6 Ų47.642%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-92.9107.3176.5-70.3-85.2000111.4P35 K39 L40 P41P35-F52 HydrophobicContact CB-CE1 4.44Å; K39-F52 HydrophobicContact CB-CB 4.04Å; K39-F52 HydrophobicContact CD-CB 3.92Å; K39-F52 WeakPolarHBondContact CD-O 3.38Å; L40-F52 WeakPolarHBondContact O-CA 3.22Å; P41-F52 HydrophobicContact CB-CD1 4.26Å; P41-F52 HydrophobicContact CB-CE1 3.83Å; P41-F52 HydrophobicContact CB-CZ 4.37Å
53L93.5Very high94.3Very high20 Ų2052.7 Ų52.711%0.10528%0.283CS..EExtended strand (participates in β ladder)trans-109.2149.7178.3-64.1-172.9000112.1A13 M15 K39 L40 I42 F44 D57 I58A13-L53 HydrophobicContact CB-CD1 3.76Å; M15-L53 HydrophobicContact CG-CD1 4.4Å; M15-L53 HydrophobicContact CG-CD2 4.3Å; K39-L53 CarbonylContact C-O 3.53Å; K39-L53 VanDerWaalsContact CA-O 3.24Å; K39-L53 WeakPolarHBondContact CA-O 3.41Å; L40-L53 PolarHBondContact N-O 2.83Å; L40-L53 PolarHBondContact O-N 2.75Å; L40-L53 VanDerWaalsContact O-N 3.09Å; I42-L53 HydrophobicContact CG1-CB 3.92Å; I42-L53 HydrophobicContact CG1-CD1 4.23Å; I42-L53 HydrophobicContact CG1-CG 4.13Å; F44-L53 HydrophobicContact CZ-CD1 4.06Å; L53-D57 HydrophobicContact CB-CB 4.44Å; L53-D57 HydrophobicContact CD1-CB 4.3Å; L53-I58 HydrophobicContact CB-CD1 4.28Å; L53-I58 HydrophobicContact CB-CG1 4.24Å
54G92.1Very high94.3Very high15 Ų1554 Ų5416%0.15529%0.29CS..  trans-86.8159.9173.300000112.1N38 K56 D57N38-G54 WeakPolarHBondContact O-CA 3.24Å; G54-K56 PolarHBondContact O-N 3.28Å; G54-D57 PolarHBondContact O-N 2.88Å
55P91.4Very high94.2Very high55 Ų5557.4 Ų57.436%0.35731%0.305SS..G310 helixtrans-56.4-13.6-179.6-28.335.8000116.5T2 N38 D57T2-P55 HydrophobicContact CG2-CB 4.44Å; N38-P55 WeakPolarHBondContact O-CD 3.41Å; P55-D57 VanDerWaalsContact C-N 3.34Å
56K92.4Very high94.1Very high191 Ų19165.9 Ų65.983%0.8335%0.345SS*.G310 helixtrans-73.5-24.2174.5-64.1-178.5179.8178.60113.5G54G54-K56 PolarHBondContact O-N 3.28Å
57D94.9Very high94.1Very high66 Ų6671.8 Ų71.835%0.35337%0.367SS..G310 helixtrans-105.411.9-176.3-62.5-60.1000111.9A13 K14 L53 G54 P55A13-D57 CarbonylContact C-O 3.54Å; A13-D57 WeakPolarHBondContact CA-O 3.49Å; K14-D57 HydrophobicContact CB-CB 4.34Å; K14-D57 PolarHBondContact N-O 3.04Å; K14-D57 WeakPolarHBondContact O-CB 3.25Å; L53-D57 HydrophobicContact CB-CB 4.44Å; L53-D57 HydrophobicContact CD1-CB 4.3Å; G54-D57 PolarHBondContact O-N 2.88Å; P55-D57 VanDerWaalsContact C-N 3.34Å
58I95Very high94.1Very high8 Ų871.1 Ų71.14%0.04136%0.36CS..EExtended strand (participates in β ladder)trans-123129.6-173.4-61.5170000109.2F5 I11 L40 I42 L53F5-I58 HydrophobicContact CD1-CG2 4.12Å; F5-I58 HydrophobicContact CD2-CG2 3.83Å; F5-I58 HydrophobicContact CE1-CG2 3.84Å; F5-I58 HydrophobicContact CE2-CB 4.11Å; F5-I58 HydrophobicContact CE2-CG2 3.54Å; F5-I58 HydrophobicContact CG-CG2 4.11Å; F5-I58 HydrophobicContact CZ-CB 4.39Å; F5-I58 HydrophobicContact CZ-CG2 3.55Å; I11-I58 HydrophobicContact CB-CG2 4.07Å; I11-I58 HydrophobicContact CD1-CG1 4.37Å; I11-I58 HydrophobicContact CD1-CG2 3.72Å; I11-I58 HydrophobicContact CG1-CG2 4.5Å; I11-I58 HydrophobicContact CG2-CG2 3.71Å; L40-I58 HydrophobicContact CB-CD1 4.24Å; L40-I58 HydrophobicContact CD1-CD1 3.96Å; I42-I58 HydrophobicContact CD1-CD1 3.87Å; I42-I58 HydrophobicContact CD1-CG1 4.39Å; I42-I58 HydrophobicContact CG1-CD1 4.32Å; L53-I58 HydrophobicContact CB-CD1 4.28Å; L53-I58 HydrophobicContact CB-CG1 4.24Å
59F95.3Very high94.1Very high56 Ų5670.1 Ų70.125%0.24636%0.362CS..EExtended strand (participates in β ladder)trans-133130-172.1-65.2-90.5000109.3I11 F12 K14 H20 Y61 N64 Y68I11-F59 CarbonylContact C-O 3.55Å; I11-F59 WeakPolarHBondContact CA-O 3.37Å; I11-F59 WeakPolarHBondContact CB-O 3.38Å; F12-F59 HydrophobicContact CB-CB 4.24Å; F12-F59 PolarHBondContact N-O 3.27Å; F12-F59 WeakPolarHBondContact O-CB 2.94Å; F12-F59 PolarHBondContact O-N 2.77Å; K14-F59 HydrophobicContact CB-CD2 4.38Å; K14-F59 HydrophobicContact CB-CE2 3.85Å; H20-F59 AromaticContact CD2-CD2 3.78Å; H20-F59 AromaticContact CD2-CE2 3.82Å; H20-F59 AromaticContact NE2-CE2 3.82Å; F59-Y61 PolarHBondContact O-N 3.02Å; F59-N64 WeakPolarHBondContact CB-OD1 3.48Å; F59-Y68 HydrophobicContact CD1-CE2 4.42Å; F59-Y68 HydrophobicContact CG-CE2 4.36Å
60P96.1Very high94.2Very high22 Ų2271 Ų7114%0.14336%0.364CS..EExtended strand (participates in β ladder)trans-60.8135.9-178.9-22.533.4000112.3F5 E63 N64F5-P60 HydrophobicContact CE1-CB 4.46Å; F5-P60 HydrophobicContact CE1-CG 3.88Å; F5-P60 HydrophobicContact CZ-CG 4.04Å; P60-E63 HydrophobicContact CB-CB 4.46Å; P60-N64 PolarHBondContact O-N 2.75Å
61Y95.4Very high94.3Very high11 Ų1171.8 Ų71.84%0.04337%0.37CS..Hα-helixtrans-61.4-52.8-174.9179-104000112.1L10 F12 F59 E63 N64 K65 I84 D85L10-Y61 VanDerWaalsContact C-CB 3.43Å; L10-Y61 HydrophobicContact CB-CG 4.32Å; L10-Y61 WeakPolarHBondContact O-CB 3.25Å; L10-Y61 PolarHBondContact O-N 3.35Å; F12-Y61 AromaticContact CD2-CD2 3.86Å; F12-Y61 HydrophobicContact CD2-CD2 3.86Å; F12-Y61 HydrophobicContact CE1-CD2 4.36Å; F12-Y61 HydrophobicContact CE1-CE2 4.26Å; F12-Y61 AromaticContact CE2-CD2 3.26Å; F12-Y61 HydrophobicContact CE2-CD2 3.26Å; F12-Y61 AromaticContact CE2-CE2 3.62Å; F12-Y61 HydrophobicContact CE2-CE2 3.62Å; F12-Y61 HydrophobicContact CE2-CG 4.15Å; F12-Y61 AromaticContact CZ-CD2 3.57Å; F12-Y61 HydrophobicContact CZ-CD2 3.57Å; F12-Y61 AromaticContact CZ-CE2 3.43Å; F12-Y61 HydrophobicContact CZ-CE2 3.43Å; F12-Y61 VanDerWaalsContact CZ-CE2 3.43Å; F59-Y61 PolarHBondContact O-N 3.02Å; Y61-E63 VanDerWaalsContact C-N 3.35Å; Y61-E63 PolarHBondContact O-N 2.73Å; Y61-N64 CarbonylContact O-C 3.52Å; Y61-N64 PolarHBondContact O-N 3.24Å; Y61-N64 VanDerWaalsContact O-N 3.08Å; Y61-K65 HydrophobicContact CE1-CD 3.68Å; Y61-K65 HydrophobicContact CE1-CG 4.28Å; Y61-K65 WeakPolarHBondContact O-CB 3.27Å; Y61-K65 PolarHBondContact O-N 3.1Å; Y61-K65 WeakPolarHBondContact OH-CD 3.35Å; Y61-K65 WeakPolarHBondContact OH-CE 3.21Å; Y61-K65 PolarHBondContact OH-NZ 2.91Å; Y61-K65 VanDerWaalsContact OH-NZ 3.16Å; Y61-I84 HydrophobicContact CD2-CD1 3.36Å; Y61-I84 HydrophobicContact CD2-CG1 4.07Å; Y61-I84 HydrophobicContact CD2-CG2 4.46Å; Y61-I84 HydrophobicContact CE2-CB 4.45Å; Y61-I84 HydrophobicContact CE2-CD1 3.64Å; Y61-I84 HydrophobicContact CE2-CG1 4.01Å; Y61-I84 HydrophobicContact CE2-CG2 3.6Å; Y61-I84 HydrophobicContact CG-CD1 3.89Å; Y61-I84 HydrophobicContact CG-CG1 4.37Å; Y61-D85 PolarHBondContact OH-OD1 2.9Å
62S93.3Very high94.4Very high107 Ų10773.1 Ų73.175%0.74837%0.374SS*.Hα-helixtrans-57.8-43.1-174.8-47.80000113.2N64S62-N64 VanDerWaalsContact C-N 3.3Å; S62-N64 PolarHBondContact O-N 2.87Å
63E94.9Very high94.5Very high106 Ų10678.5 Ų78.550%0.49540%0.397SS..Hα-helixtrans-73-19.5-179.8-68.8172.3-117.200113.7R3 P60 Y61R3-E63 VanDerWaalsContact CZ-CD 3.47Å; R3-E63 IonicContact CZ-OE1 3.59Å; R3-E63 IonicContact CZ-OE2 3.63Å; R3-E63 IonicContact NE-OE1 3.68Å; R3-E63 IonicContact NH1-OE1 3.41Å; R3-E63 PolarHBondContact NH1-OE1 3.07Å; R3-E63 IonicContact NH1-OE2 4Å; R3-E63 PolarHBondContact NH1-OE2 2.95Å; R3-E63 IonicContact NH2-OE1 2.95Å; R3-E63 PolarHBondContact NH2-OE1 2.78Å; R3-E63 IonicContact NH2-OE2 2.78Å; R3-E63 PolarHBondContact NH2-OE2 2.95Å; P60-E63 HydrophobicContact CB-CB 4.46Å; Y61-E63 VanDerWaalsContact C-N 3.35Å; Y61-E63 PolarHBondContact O-N 2.73Å
64N94.6Very high94.5Very high30 Ų3082.4 Ų82.416%0.1641%0.411CS..Hα-helixtrans-1223.8-173.2-61.9153.9000114F12 F59 P60 Y61 S62 E66 K67 Y68F12-N64 HydrophobicContact CD2-CB 4.12Å; F59-N64 WeakPolarHBondContact CB-OD1 3.48Å; P60-N64 PolarHBondContact O-N 2.75Å; Y61-N64 CarbonylContact O-C 3.52Å; Y61-N64 PolarHBondContact O-N 3.24Å; Y61-N64 VanDerWaalsContact O-N 3.08Å; S62-N64 VanDerWaalsContact C-N 3.3Å; S62-N64 PolarHBondContact O-N 2.87Å; N64-E66 PolarHBondContact O-N 2.64Å; N64-K67 PolarHBondContact O-N 3.01Å; N64-Y68 HydrophobicContact CB-CD2 3.69Å; N64-Y68 HydrophobicContact CB-CE2 3.9Å; N64-Y68 PolarHBondContact O-N 3.24Å
65K94.6Very high94.6Very high79 Ų7990.6 Ų90.634%0.34344%0.442SS..Hα-helixtrans-54.3-46.4176.5-173170.8-174.81580112.7Y61 K67 G69 D85Y61-K65 HydrophobicContact CE1-CD 3.68Å; Y61-K65 HydrophobicContact CE1-CG 4.28Å; Y61-K65 WeakPolarHBondContact O-CB 3.27Å; Y61-K65 PolarHBondContact O-N 3.1Å; Y61-K65 WeakPolarHBondContact OH-CD 3.35Å; Y61-K65 WeakPolarHBondContact OH-CE 3.21Å; Y61-K65 PolarHBondContact OH-NZ 2.91Å; Y61-K65 VanDerWaalsContact OH-NZ 3.16Å; K65-K67 PolarHBondContact O-N 3.17Å; K65-G69 WeakPolarHBondContact O-CA 3.35Å; K65-G69 PolarHBondContact O-N 2.94Å; K65-D85 IonicContact NZ-OD1 2.64Å; K65-D85 PolarHBondContact NZ-OD1 3.19Å; K65-D85 IonicContact NZ-OD2 3.01Å; K65-D85 PolarHBondContact NZ-OD2 3.04Å
66E94.9Very high94.7Very high178 Ų17888.5 Ų88.583%0.83243%0.431SS*.Hα-helixtrans-64.4-28.7178.1-59.1-171.916500113.5N64 K70N64-E66 PolarHBondContact O-N 2.64Å; E66-K70 WeakPolarHBondContact O-CE 3.45Å
67K95.6Very high94.9Very high132 Ų13279.5 Ų79.557%0.57439%0.392SS*.Hα-helixtrans-88.5-40.2-174.9-164.3-176.5177.4-165.20112.2N64 K65N64-K67 PolarHBondContact O-N 3.01Å; K65-K67 PolarHBondContact O-N 3.17Å
68Y95.6Very high95Very high35 Ų3580 Ų8014%0.13739%0.394CS..Hα-helixtrans-116.9-19.9-170.7-57-31.4000114.2F12 H20 F59 N64 K70F12-Y68 HydrophobicContact CB-CD2 4.06Å; F12-Y68 HydrophobicContact CD2-CD2 4.15Å; F12-Y68 HydrophobicContact CG-CD2 4.02Å; F12-Y68 HydrophobicContact CG-CG 4.5Å; H20-Y68 HydrophobicContact CB-CD1 3.98Å; H20-Y68 HydrophobicContact CB-CD2 3.56Å; H20-Y68 HydrophobicContact CB-CE1 4.47Å; H20-Y68 HydrophobicContact CB-CE2 4.09Å; H20-Y68 HydrophobicContact CB-CG 3.51Å; H20-Y68 AromaticContact CD2-CD2 3.8Å; H20-Y68 AromaticContact CD2-CE2 3.38Å; H20-Y68 WeakPolarHBondContact CD2-CE2 3.46Å; H20-Y68 AromaticContact CD2-CZ 3.63Å; H20-Y68 AromaticContact CE1-CE1 3.41Å; H20-Y68 VanDerWaalsContact CE1-CE1 3.41Å; H20-Y68 WeakPolarHBondContact CE1-CE1 3.45Å; H20-Y68 AromaticContact CE1-CE2 3.89Å; H20-Y68 AromaticContact CE1-CZ 3.28Å; H20-Y68 PolarHBondContact CE1-OH 3.04Å; H20-Y68 AromaticContact CG-CD1 3.8Å; H20-Y68 AromaticContact CG-CD2 3.56Å; H20-Y68 AromaticContact CG-CE1 3.8Å; H20-Y68 AromaticContact CG-CE2 3.55Å; H20-Y68 AromaticContact CG-CG 3.71Å; H20-Y68 AromaticContact CG-CZ 3.68Å; H20-Y68 AromaticContact ND1-CD1 3.49Å; H20-Y68 WeakPolarHBondContact ND1-CD1 3.3Å; H20-Y68 AromaticContact ND1-CE1 3.25Å; H20-Y68 VanDerWaalsContact ND1-CE1 3.25Å; H20-Y68 WeakPolarHBondContact ND1-CE1 3.47Å; H20-Y68 AromaticContact ND1-CE2 3.85Å; H20-Y68 AromaticContact ND1-CG 3.92Å; H20-Y68 AromaticContact ND1-CZ 3.46Å; H20-Y68 AromaticContact NE2-CE2 3.65Å; H20-Y68 AromaticContact NE2-CZ 3.41Å; H20-Y68 PolarHBondContact NE2-OH 3.48Å; F59-Y68 HydrophobicContact CD1-CE2 4.42Å; F59-Y68 HydrophobicContact CG-CE2 4.36Å; N64-Y68 HydrophobicContact CB-CD2 3.69Å; N64-Y68 HydrophobicContact CB-CE2 3.9Å; N64-Y68 PolarHBondContact O-N 3.24Å; Y68-K70 PolarHBondContact O-N 3.01Å
69G93.9Very high95.1Very high24 Ų2484.9 Ų84.925%0.24742%0.417CS..  trans-73.527177.500000115.3K65K65-G69 WeakPolarHBondContact O-CA 3.35Å; K65-G69 PolarHBondContact O-N 2.94Å
70K95.5Very high95.1Very high136 Ų13682.2 Ų82.259%0.59141%0.405SS*.SBendtrans-93.7131.6-178.5-60.8-173.7-174.8-175.50109.8E66 Y68 F77E66-K70 WeakPolarHBondContact O-CE 3.45Å; Y68-K70 PolarHBondContact O-N 3.01Å; K70-F77 WeakPolarHBondContact O-CE1 3.18Å
71P94.3Very high95.2Very high114 Ų11482.2 Ų82.274%0.7440%0.404SS*.  trans-51.9139.9-178.6-3035.9000114N78P71-N78 VanDerWaalsContact CA-OD1 3.26Å; P71-N78 WeakPolarHBondContact CA-OD1 3.4Å
72N95.2Very high95.2Very high55 Ų5589 Ų8929%0.29443%0.429SS..  trans-125.5163.8-172.5-154.8-48.4000110.9F77 N78N72-F77 HydrophobicContact CB-CB 4.1Å; N72-F77 HydrophobicContact CB-CD1 3.22Å; N72-F77 HydrophobicContact CB-CD2 4.3Å; N72-F77 HydrophobicContact CB-CE1 3.6Å; N72-F77 HydrophobicContact CB-CG 3.61Å; N72-F77 HydrophobicContact CB-CZ 4.3Å; N72-N78 PolarHBondContact N-OD1 3.33Å; N72-N78 PolarHBondContact O-ND2 3.3Å; N72-N78 PolarHBondContact O-OD1 2.93Å
73K95.4Very high95.4Very high208 Ų20884.7 Ų84.790%0.90440%0.397SS*.SBendtrans-89.7-0.8179.5-64.4-175.1179.3-178.80113.7
74R93.7Very high95.4Very high103 Ų10379.8 Ų79.839%0.38937%0.374SS..SBendtrans-78.6138.3176-67.5-165.2175.6-151.41.1110.9G17 Y18 W21 F77G17-R74 VanDerWaalsContact O-CZ 3.28Å; G17-R74 PolarHBondContact O-NH1 2.94Å; G17-R74 VanDerWaalsContact O-NH1 3.11Å; G17-R74 PolarHBondContact O-NH2 3.44Å; Y18-R74 VanDerWaalsContact CE1-NH1 3.32Å; W21-R74 HydrophobicContact CH2-CB 4.07Å; W21-R74 HydrophobicContact CZ3-CB 4.14Å; R74-F77 HydrophobicContact CB-CB 4.27Å; R74-F77 WeakPolarHBondContact O-CB 3.44Å; R74-F77 PolarHBondContact O-N 2.68Å
75K94.6Very high95.4Very high186 Ų18682.1 Ų82.181%0.80939%0.387SS*.THydrogen-bonded Turntrans-52.6145.4169.2-62.3-173.2176.4-171.50109.8W21 F77W21-K75 VanDerWaalsContact CH2-O 3.29Å; W21-K75 WeakPolarHBondContact CH2-O 3.34Å; K75-F77 PolarHBondContact O-N 3.16Å
76G94.3Very high95.4Very high12 Ų1283 Ų8312%0.12440%0.395CS..THydrogen-bonded Turntrans71.5-21-177.900000116.2G46 G80G46-G76 WeakPolarHBondContact CA-O 3.2Å; G46-G76 WeakPolarHBondContact O-CA 3.43Å; G76-G80 PolarHBondContact O-N 3.11Å
77F96.9Very high95.3Very high2 Ų278 Ų781%0.00938%0.375CS..Hα-helixtrans-68.9-47.1-172.8-170.8-86.3000113.5P19 H20 W21 K70 N72 R74 K75 E79 G80 L81P19-F77 HydrophobicContact CB-CE2 3.89Å; P19-F77 HydrophobicContact CB-CZ 4.48Å; P19-F77 HydrophobicContact CG-CD2 3.7Å; P19-F77 HydrophobicContact CG-CE2 3.5Å; P19-F77 VanDerWaalsContact CG-CE2 3.5Å; P19-F77 HydrophobicContact CG-CZ 4.45Å; H20-F77 VanDerWaalsContact O-CE2 3.28Å; H20-F77 WeakPolarHBondContact O-CE2 3.46Å; W21-F77 AromaticContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CE2 4.36Å; W21-F77 AromaticContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CE2 4.24Å; W21-F77 HydrophobicContact CG-CD2 4.39Å; W21-F77 HydrophobicContact CH2-CB 3.85Å; W21-F77 HydrophobicContact CH2-CD2 4.16Å; W21-F77 HydrophobicContact CZ2-CB 3.99Å; W21-F77 HydrophobicContact CZ2-CD2 4.31Å; W21-F77 HydrophobicContact CZ3-CB 4.27Å; W21-F77 AromaticContact CZ3-CD2 3.81Å; W21-F77 HydrophobicContact CZ3-CD2 3.81Å; K70-F77 WeakPolarHBondContact O-CE1 3.18Å; N72-F77 HydrophobicContact CB-CB 4.1Å; N72-F77 HydrophobicContact CB-CD1 3.22Å; N72-F77 HydrophobicContact CB-CD2 4.3Å; N72-F77 HydrophobicContact CB-CE1 3.6Å; N72-F77 HydrophobicContact CB-CG 3.61Å; N72-F77 HydrophobicContact CB-CZ 4.3Å; R74-F77 HydrophobicContact CB-CB 4.27Å; R74-F77 WeakPolarHBondContact O-CB 3.44Å; R74-F77 PolarHBondContact O-N 2.68Å; K75-F77 PolarHBondContact O-N 3.16Å; F77-E79 VanDerWaalsContact C-N 3.3Å; F77-G80 PolarHBondContact O-N 3.28Å; F77-L81 HydrophobicContact CD1-CD1 3.98Å; F77-L81 HydrophobicContact CD1-CG 4.12Å; F77-L81 HydrophobicContact CE1-CD1 3.58Å; F77-L81 HydrophobicContact CE1-CD2 4.32Å; F77-L81 HydrophobicContact CE1-CG 3.85Å; F77-L81 WeakPolarHBondContact O-CG 3.32Å; F77-L81 PolarHBondContact O-N 2.77Å
78N96.3Very high95.1Very high76 Ų7674 Ų7441%0.40636%0.362SS..Hα-helixtrans-72.5-29.6-178.9-58.4-34.1000112.1P71 N72 W82P71-N78 VanDerWaalsContact CA-OD1 3.26Å; P71-N78 WeakPolarHBondContact CA-OD1 3.4Å; N72-N78 PolarHBondContact N-OD1 3.33Å; N72-N78 PolarHBondContact O-ND2 3.3Å; N72-N78 PolarHBondContact O-OD1 2.93Å; N78-W82 PolarHBondContact O-N 3.11Å
79E96.1Very high94.8Very high111 Ų11180.9 Ų80.952%0.51939%0.393SS..Hα-helixtrans-66.6-48.1171.5178.8170.9-159.300110.1F77 L81 W82 E83F77-E79 VanDerWaalsContact C-N 3.3Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.5Å; E79-W82 CarbonylContact O-C 3.58Å; E79-W82 WeakPolarHBondContact O-CA 3.31Å; E79-W82 WeakPolarHBondContact O-CB 3.45Å; E79-W82 PolarHBondContact O-N 2.75Å; E79-E83 PolarHBondContact O-N 2.78Å
80G96.8Very high94.6Very high0 Ų081 Ų810%039%0.388CS..Hα-helixtrans-63.4-32174.400000114.1F45 G76 F77 W82 I84F45-G80 VanDerWaalsContact CB-CA 3.48Å; F45-G80 WeakPolarHBondContact CB-O 3.44Å; F45-G80 WeakPolarHBondContact O-CA 3.28Å; G76-G80 PolarHBondContact O-N 3.11Å; F77-G80 PolarHBondContact O-N 3.28Å; G80-W82 VanDerWaalsContact C-N 3.28Å; G80-I84 WeakPolarHBondContact O-CB 3.33Å; G80-I84 VanDerWaalsContact O-CG2 3.3Å; G80-I84 WeakPolarHBondContact O-CG2 3.39Å; G80-I84 PolarHBondContact O-N 2.93Å
81L96.9Very high94Very high21 Ų2179.9 Ų79.911%0.1138%0.383CS..Hα-helixtrans-67.8-27.6170.3-76.1-174.5000112.9F12 P22 F77 E79 I84F12-L81 HydrophobicContact CE1-CD2 4.04Å; F12-L81 HydrophobicContact CZ-CD2 4.36Å; P22-L81 HydrophobicContact CB-CD2 4.09Å; P22-L81 HydrophobicContact CG-CD2 3.94Å; P22-L81 HydrophobicContact CG-CG 4.23Å; F77-L81 HydrophobicContact CD1-CD1 3.98Å; F77-L81 HydrophobicContact CD1-CG 4.12Å; F77-L81 HydrophobicContact CE1-CD1 3.58Å; F77-L81 HydrophobicContact CE1-CD2 4.32Å; F77-L81 HydrophobicContact CE1-CG 3.85Å; F77-L81 WeakPolarHBondContact O-CG 3.32Å; F77-L81 PolarHBondContact O-N 2.77Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.5Å; L81-I84 WeakPolarHBondContact O-CG2 3.41Å
82W96.4Very high92.8Very high154 Ų15478.6 Ų78.658%0.58337%0.366SS*.Hα-helixtrans-81.4-44.8174.2-178.580.9000111N78 E79 G80 I84 D85 N86N78-W82 PolarHBondContact O-N 3.11Å; E79-W82 CarbonylContact O-C 3.58Å; E79-W82 WeakPolarHBondContact O-CA 3.31Å; E79-W82 WeakPolarHBondContact O-CB 3.45Å; E79-W82 PolarHBondContact O-N 2.75Å; G80-W82 VanDerWaalsContact C-N 3.28Å; W82-I84 PolarHBondContact O-N 3.33Å; W82-D85 PolarHBondContact O-N 2.75Å; W82-N86 HydrophobicContact CD2-CB 4.1Å; W82-N86 HydrophobicContact CE3-CB 4.43Å; W82-N86 HydrophobicContact CH2-CB 4.02Å; W82-N86 HydrophobicContact CZ2-CB 3.64Å; W82-N86 HydrophobicContact CZ3-CB 4.4Å; W82-N86 PolarHBondContact NE1-ND2 3.17Å; W82-N86 PolarHBondContact NE1-OD1 2.96Å; W82-N86 WeakPolarHBondContact O-CB 3.47Å; W82-N86 PolarHBondContact O-N 2.83Å; W82-N86 PolarHBondContact O-ND2 2.76Å
83E96.4Very high90.8Very high17 Ų1782 Ų828%0.07939%0.394CS..Hα-helixtrans-60.2-43.9177.9-73.2-167.2142.100113.1F45 G46 H48 E79 D85 N86 N87F45-E83 WeakPolarHBondContact CA-OE2 3.21Å; F45-E83 HydrophobicContact CB-CB 4.03Å; F45-E83 HydrophobicContact CD1-CB 3.79Å; F45-E83 HydrophobicContact CG-CB 4.2Å; G46-E83 PolarHBondContact N-OE2 2.81Å; H48-E83 IonicContact CD2-OE1 2.64Å; H48-E83 IonicContact CD2-OE2 3.01Å; H48-E83 IonicContact CE1-OE1 2.65Å; H48-E83 PolarHBondContact CE1-OE1 3.35Å; H48-E83 VanDerWaalsContact NE2-CD 3.3Å; H48-E83 IonicContact NE2-OE1 2.82Å; H48-E83 PolarHBondContact NE2-OE1 2.83Å; H48-E83 IonicContact NE2-OE2 2.97Å; H48-E83 PolarHBondContact NE2-OE2 2.81Å; E79-E83 PolarHBondContact O-N 2.78Å; E83-D85 PolarHBondContact O-N 3.45Å; E83-N86 PolarHBondContact O-N 3.04Å; E83-N87 CarbonylContact O-C 3.6Å; E83-N87 WeakPolarHBondContact O-CA 3.43Å; E83-N87 PolarHBondContact O-N 3.44Å
84I95.9Very high88.5Confident2 Ų275.6 Ų75.61%0.0138%0.376CS..Hα-helixtrans-61.3-27.6-179.9-166.7158.4000112.8L10 P22 A23 F45 Y61 G80 L81 W82L10-I84 HydrophobicContact CB-CD1 4.28Å; L10-I84 HydrophobicContact CB-CG1 4.34Å; L10-I84 HydrophobicContact CD1-CG1 4.12Å; L10-I84 HydrophobicContact CD2-CG1 4.23Å; L10-I84 HydrophobicContact CG-CG1 4.46Å; P22-I84 HydrophobicContact CB-CB 4.19Å; P22-I84 HydrophobicContact CB-CD1 3.86Å; P22-I84 HydrophobicContact CB-CG2 3.96Å; A23-I84 WeakPolarHBondContact O-CD1 3.45Å; F45-I84 HydrophobicContact CD2-CB 3.67Å; F45-I84 HydrophobicContact CD2-CD1 3.8Å; F45-I84 HydrophobicContact CD2-CG1 3.87Å; F45-I84 HydrophobicContact CE2-CB 3.83Å; F45-I84 HydrophobicContact CE2-CD1 3.69Å; F45-I84 HydrophobicContact CE2-CG1 3.59Å; F45-I84 HydrophobicContact CG-CB 4.23Å; F45-I84 HydrophobicContact CZ-CB 4.49Å; F45-I84 HydrophobicContact CZ-CG1 4.36Å; Y61-I84 HydrophobicContact CD2-CD1 3.36Å; Y61-I84 HydrophobicContact CD2-CG1 4.07Å; Y61-I84 HydrophobicContact CD2-CG2 4.46Å; Y61-I84 HydrophobicContact CE2-CB 4.45Å; Y61-I84 HydrophobicContact CE2-CD1 3.64Å; Y61-I84 HydrophobicContact CE2-CG1 4.01Å; Y61-I84 HydrophobicContact CE2-CG2 3.6Å; Y61-I84 HydrophobicContact CG-CD1 3.89Å; Y61-I84 HydrophobicContact CG-CG1 4.37Å; G80-I84 WeakPolarHBondContact O-CB 3.33Å; G80-I84 VanDerWaalsContact O-CG2 3.3Å; G80-I84 WeakPolarHBondContact O-CG2 3.39Å; G80-I84 PolarHBondContact O-N 2.93Å; L81-I84 WeakPolarHBondContact O-CG2 3.41Å; W82-I84 PolarHBondContact O-N 3.33Å
85D94.6Very high86Confident80 Ų8077.7 Ų77.743%0.42839%0.39SS..Hα-helixtrans-90.8-31.4176.9-86.6-13.7000113.7Y61 K65 W82 E83Y61-D85 PolarHBondContact OH-OD1 2.9Å; K65-D85 IonicContact NZ-OD1 2.64Å; K65-D85 PolarHBondContact NZ-OD1 3.19Å; K65-D85 IonicContact NZ-OD2 3.01Å; K65-D85 PolarHBondContact NZ-OD2 3.04Å; W82-D85 PolarHBondContact O-N 2.75Å; E83-D85 PolarHBondContact O-N 3.45Å
86N95.1Very high83.4Confident97 Ų9778.3 Ų78.352%0.51940%0.396SS..Hα-helixtrans-114.5-23.4-167.5-65.1-106000113.8W82 E83W82-N86 HydrophobicContact CD2-CB 4.1Å; W82-N86 HydrophobicContact CE3-CB 4.43Å; W82-N86 HydrophobicContact CH2-CB 4.02Å; W82-N86 HydrophobicContact CZ2-CB 3.64Å; W82-N86 HydrophobicContact CZ3-CB 4.4Å; W82-N86 PolarHBondContact NE1-ND2 3.17Å; W82-N86 PolarHBondContact NE1-OD1 2.96Å; W82-N86 WeakPolarHBondContact O-CB 3.47Å; W82-N86 PolarHBondContact O-N 2.83Å; W82-N86 PolarHBondContact O-ND2 2.76Å; E83-N86 PolarHBondContact O-N 3.04Å
87N93Very high80.6Confident74 Ų7482.6 Ų82.640%0.39643%0.43SS..  trans-147.956.2178.8-166.76.5000112.6E83 K89 V90E83-N87 CarbonylContact O-C 3.6Å; E83-N87 WeakPolarHBondContact O-CA 3.43Å; E83-N87 PolarHBondContact O-N 3.44Å; N87-K89 PolarHBondContact O-N 2.81Å; N87-V90 WeakPolarHBondContact O-CG1 3.43Å; N87-V90 PolarHBondContact O-N 3Å; N87-V90 VanDerWaalsContact O-N 3.11Å
88P91.1Very high77.9Confident46 Ų4687.6 Ų87.630%0.29947%0.465SS..THydrogen-bonded Turntrans-60.1-20.4-175.321.5-33.3000114.4L10 R24 F45L10-P88 HydrophobicContact CD1-CB 4.06Å; L10-P88 HydrophobicContact CD2-CB 3.81Å; R24-P88 PolarHBondContact NH1-O 3.38Å; F45-P88 WeakPolarHBondContact CE1-O 3.27Å; F45-P88 HydrophobicContact CZ-CB 4.36Å; F45-P88 VanDerWaalsContact CZ-O 3.27Å; F45-P88 WeakPolarHBondContact CZ-O 3.29Å
89K88.4Confident74.9Confident181 Ų18190.9 Ų90.979%0.78749%0.488SS*.THydrogen-bonded Turntrans-91.77.2-179.2-63.8-172.5178.1-176.20114.3N87 K91N87-K89 PolarHBondContact O-N 2.81Å; K89-K91 PolarHBondContact O-N 3.28Å; K89-K91 VanDerWaalsContact O-N 3.1Å
90V88.8Confident72.2Confident25 Ų2595.1 Ų95.115%0.15251%0.505CS..  trans-57.5114.5179.466.10000111.8R24 F43 F45 N87R24-V90 VanDerWaalsContact CZ-O 3.25Å; R24-V90 PolarHBondContact NH1-O 2.8Å; R24-V90 PolarHBondContact NH2-O 2.83Å; F43-V90 HydrophobicContact CE1-CG1 3.97Å; F43-V90 HydrophobicContact CZ-CG1 4.11Å; F43-V90 WeakPolarHBondContact CZ-O 3.26Å; F45-V90 HydrophobicContact CD1-CG1 3.85Å; F45-V90 HydrophobicContact CE1-CG1 3.9Å; N87-V90 WeakPolarHBondContact O-CG1 3.43Å; N87-V90 PolarHBondContact O-N 3Å; N87-V90 VanDerWaalsContact O-N 3.11Å
91K83.3Confident69.5Low114 Ų114104.1 Ų104.150%0.49655%0.547SS..  trans-93.5150.3175.5-69.9-80.3-172.4172.30109.8D26 E27 K89 S93D26-K91 IonicContact OD1-NZ 3.17Å; D26-K91 PolarHBondContact OD1-NZ 2.96Å; E27-K91 IonicContact OE2-NZ 3.51Å; E27-K91 PolarHBondContact OE2-NZ 2.96Å; K89-K91 PolarHBondContact O-N 3.28Å; K89-K91 VanDerWaalsContact O-N 3.1Å; K91-S93 PolarHBondContact O-N 3.23Å
92F70.4Confident66.7Low86 Ų86108.6 Ų108.638%0.37758%0.58SS.*  trans-70.6113.2-177.6-168.7-140.3000111.1F43 H48 S94 Q95F43-F92 HydrophobicContact CE2-CB 4.2Å; H48-F92 HydrophobicContact CB-CD2 3.46Å; H48-F92 VanDerWaalsContact CB-CD2 3.46Å; H48-F92 HydrophobicContact CB-CE2 3.82Å; H48-F92 HydrophobicContact CB-CG 4.38Å; F92-S94 VanDerWaalsContact CD1-OG 3.31Å; F92-S94 WeakPolarHBondContact CD1-OG 3.46Å; F92-S94 WeakPolarHBondContact CE1-OG 3.42Å; F92-S94 VanDerWaalsContact CE2-OG 3.31Å; F92-S94 WeakPolarHBondContact CE2-OG 3.35Å; F92-S94 WeakPolarHBondContact CZ-OG 3.08Å; F92-S94 PolarHBondContact O-N 2.82Å; F92-S94 VanDerWaalsContact O-N 3.11Å; F92-Q95 HydrophobicContact CE1-CG 4.35Å
93S51.8Low63.9Low127 Ų127109.4 Ų109.489%0.88860%0.596SS**THydrogen-bonded Turntrans-78.39.6-168.4-167.60000115.6K91K91-S93 PolarHBondContact O-N 3.23Å
94S47.8Very low60.9Low73 Ų73113.5 Ų113.551%0.5163%0.632SS.*THydrogen-bonded Turntrans-117.90.3-165.553.60000115.6F92F92-S94 VanDerWaalsContact CD1-OG 3.31Å; F92-S94 WeakPolarHBondContact CD1-OG 3.46Å; F92-S94 WeakPolarHBondContact CE1-OG 3.42Å; F92-S94 VanDerWaalsContact CE2-OG 3.31Å; F92-S94 WeakPolarHBondContact CE2-OG 3.35Å; F92-S94 WeakPolarHBondContact CZ-OG 3.08Å; F92-S94 PolarHBondContact O-N 2.82Å; F92-S94 VanDerWaalsContact O-N 3.11Å
95Q41.4Very low58Low148 Ų148119.2 Ų119.269%0.69267%0.673SS**SBendtrans-132.619.1179.7-66.5-161.8-70.200116F92F92-Q95 HydrophobicContact CE1-CG 4.35Å
96Q39.6Very low55Low199 Ų199120.8 Ų120.893%0.9369%0.69SS**  trans-104.868.7165.9-76.5-167.6-23.900111.5
97A35.4Very low52Low101 Ų101123.1 Ų123.184%0.83570%0.702SS**  trans-14332.8177.800000112.8
98S40.5Very low49.1Very low107 Ų107126 Ų12675%0.74872%0.722SS**SBendtrans-150.429.2-17463.80000115.8
99T34.1Very low46.5Very low146 Ų146132.4 Ų132.490%0.89675%0.748SS**SBendtrans-130.9146.9161.6-42.90000108.7
100K39.3Very low44Very low200 Ų200129.6 Ų129.687%0.8775%0.746SS**  trans-71.6146.6-158.1-65.5178.3179.5176.90114.3
101Q39.1Very low41.4Very low188 Ų188136.8 Ų136.888%0.87978%0.778SS**  trans-64.8143.5154.3-62.8167.4-5900110.2
102S38.4Very low39Very low116 Ų116138.1 Ų138.181%0.81179%0.786SS**  trans-137.5105.2154.754.90000107.3
103N38.2Very low37.2Very low171 Ų171142.6 Ų142.691%0.91481%0.805SS**  trans-73.8126.2176.5-121.125.4000109.3
104A32.5Very low36.3Very low102 Ų102143.1 Ų143.184%0.84379%0.794SS**  trans-146.9128.4163.600000108.6
105S35.9Very low35.2Very low123 Ų123146.6 Ų146.686%0.8681%0.812SS**  trans-106.7134.6170.9-1760000108.2
106S31.1Very low34.6Very low113 Ų113145.5 Ų145.579%0.7982%0.815SS**  trans-157.1104.3164.256.80000109
107D31.2Very low34.1Very low145 Ų145142 Ų14278%0.77581%0.813SS**  trans-86.9134.2163.3176.4-104000108.7
108V32.9Very low34.1Very low134 Ų134144.9 Ų144.981%0.81281%0.806SS**  trans-170123.8159-101.10000109.4
109E37.3Very low33.5Very low181 Ų181148.9 Ų148.985%0.84681%0.813SS**  trans-82.8169.5160.3-61.8-178.492.700110.9
110V35.3Very low33.3Very low122 Ų122146.3 Ų146.374%0.73979%0.794SS**  trans167.9126.5130.4149.90000111
111E33.6Very low32.8Very low176 Ų176143.5 Ų143.582%0.82279%0.794SS**  trans53.5152.3152.6-71.6175.2159.300121.1
112E33.7Very low32.4Very low142 Ų142140.7 Ų140.766%0.66479%0.785SS**  cis-163.9152.9-23.5-165.7-141.2103.400106.9
113K31.7Very low32.3Very low181 Ų181142 Ų14279%0.78778%0.778SS**  172143.3121.5-169.3150.9-170.9159.50113.5
114E32.4Very low32.1Very low137 Ų137141.5 Ų141.564%0.6477%0.77SS**  trans-62.5159.7-178-43.6166.596.900115.9
115T25.3Very low32.1Very low147 Ų147144.3 Ų144.390%0.90277%0.766SS**  -161.8152.8107.810.80000112.2
116V28.9Very low31.8Very low124 Ų124148.4 Ų148.475%0.75277%0.768SS**  trans-106.5144.3-170.7167.50000111.8
117S30.4Very low32Very low126 Ų126146.9 Ų146.988%0.88176%0.762SS**  trans-150.1132.9149.6-710000110.2
118K34.4Very low32Very low162 Ų162146 Ų14670%0.70477%0.767SS**  trans-150.2118.3175.8-174.8-138.4-175.8-163.70111.3D120K118-D120 HydrophobicContact CD-CB 4.44Å; K118-D120 WeakPolarHBondContact CE-OD2 3.06Å; K118-D120 IonicContact NZ-OD2 3.14Å; K118-D120 PolarHBondContact NZ-OD2 3.11Å
119E28.1Very low32Very low190 Ų190146.4 Ų146.489%0.88877%0.765SS**  trans-139.9126.6157.7-72.1176.998.500104.9
120D29.7Very low31.7Very low93 Ų93146 Ų14650%0.49776%0.763SS.*  cis77.6102.314.6-143.6-42.1000115.7K118K118-D120 HydrophobicContact CD-CB 4.44Å; K118-D120 WeakPolarHBondContact CE-OD2 3.06Å; K118-D120 IonicContact NZ-OD2 3.14Å; K118-D120 PolarHBondContact NZ-OD2 3.11Å
121T28.9Very low31.4Very low140 Ų140146.6 Ų146.686%0.85976%0.762SS**  trans-160.2140.2155-67.90000106.6
122D31.3Very low31.4Very low129 Ų129143.3 Ų143.369%0.6975%0.754SS**  trans-125.1-169.1-158-155.6-56.3000111.9
123H36.5Very low31.3Very low145 Ų145143.5 Ų143.567%0.67177%0.765SS**  trans73.2128.9164.4-85.3-102.3000118.1
124E34Very low31.5Very low159 Ų159143.7 Ų143.774%0.74377%0.766SS**  cis-175.1-170.44.4-148.8-180163.300108.9
125E31.4Very low31.5Very low162 Ų162142.2 Ų142.276%0.75778%0.777SS**  trans-71.7161.9179.3-53.5-174.762.500115.7
126K30.3Very low31.8Very low209 Ų209139.5 Ų139.591%0.90977%0.769SS**  -151136.3106.6-140.1175.3-175.21760114.4
127A33.9Very low31.8Very low80 Ų80140 Ų14066%0.66177%0.768SS**  trans-83.1151.9172.400000113.5
128S33.1Very low32.1Very low127 Ų127140.4 Ų140.489%0.88876%0.759SS**  trans-149.1159153.861.20000109.2
129N30.9Very low31.8Very low142 Ų142138.8 Ų138.876%0.75976%0.762SS**  trans-134.8170.5-155-152.74.8000112.4
130E32.4Very low32.1Very low173 Ų173135.6 Ų135.681%0.80876%0.756SS**  trans66.1161.6162.3-64.9174.4111.200118.6
131D28.9Very low32.7Very low134 Ų134136.6 Ų136.672%0.71777%0.768SS**  cis-158.3160.4-39.2-170.2-136.4000111.4
132V34Very low32.8Very low107 Ų107139.6 Ų139.665%0.64877%0.769SS**  trans20.8125.1160.2165.40000121.4
133T31.8Very low32.8Very low146 Ų146138.3 Ų138.390%0.89678%0.776SS**  trans-153.9-175.2141.10.10000114.1
134K34.6Very low32.5Very low186 Ų186136.6 Ų136.681%0.80979%0.787SS**  -156102.7-126-178.1-175174.2-176.30117.8
135A32.9Very low32.5Very low106 Ų106139.3 Ų139.388%0.87679%0.791SS**  trans61.6165.7160.600000118
136A32.4Very low32.5Very low90 Ų90142.7 Ų142.774%0.74480%0.796SS**  cis-139-173.83.100000109.3
137D27.1Very low32.4Very low135 Ų135136.8 Ų136.872%0.72280%0.795SS**  cis-154.7162.518.1-164.8-132000115.5
138I36.9Very low32.3Very low133 Ų133144 Ų14468%0.68281%0.805SS**  trans-18.6137169.5-65.4161000117.7
139T29.1Very low32.2Very low128 Ų128145 Ų14579%0.78579%0.793SS**  -163.2140.593.8-630000114.8
140T34.8Very low32.2Very low124 Ų124148.7 Ų148.776%0.76180%0.797SS**  trans-129.1163.1167.476.60000108.1
141P41.2Very low32.1Very low114 Ų114148.9 Ų148.974%0.7480%0.795SS**  -157.5154.456.242.1-19.2000120.8
142K31Very low31.9Very low203 Ų203146.8 Ų146.888%0.88380%0.797SS**  40.899.3123.6-154.5172.4-176.91750122.8
143A31.8Very low31.6Very low102 Ų102149 Ų14984%0.84380%0.8SS**  trans19.6135.2136.500000124.4
144A29.4Very low31.4Very low109 Ų109150.4 Ų150.490%0.90179%0.793SS**  trans-155.6158141.800000115.3
145R34.9Very low31.1Very low216 Ų216150.2 Ų150.282%0.81580%0.795SS**  trans-82.6158.3-159.3-56.6151.678.8-172.79.7117.3
146R30.6Very low31Very low232 Ų232150.4 Ų150.488%0.87579%0.786SS**  trans72.1119.3148.4-78.8175.1164.2-175.1-5.5120
147G27.8Very low30.8Very low86 Ų86154.6 Ų154.689%0.88779%0.79SS**  trans-159.8125.6166.800000114
148R32.5Very low31Very low230 Ų230153.8 Ų153.887%0.86879%0.79SS**  trans-90.6145.1-160.1-177.5-168.3-161.9-170.38.3115.2
149K30.3Very low30.8Very low148 Ų148156.5 Ų156.564%0.64380%0.8SS**  trans74.7130.7155.9-96.3-174.9174.3-178.40121.1
150R32Very low31Very low220 Ų220158.9 Ų158.983%0.8380%0.802SS**  trans49.8114.5139.2-65.2178.2179.4-178-3.8119.8
151K29.7Very low30.7Very low177 Ų177157.8 Ų157.877%0.7780%0.799SS**  trans-107.1149137.4-155.8-165-176.1-167.60108.4E153K151-E153 VanDerWaalsContact CE-OE2 3.31Å; K151-E153 WeakPolarHBondContact CE-OE2 3.31Å; K151-E153 IonicContact NZ-OE2 2.57Å; K151-E153 PolarHBondContact NZ-OE2 3.31Å
152A25.8Very low30Very low91 Ų91155.8 Ų155.875%0.75280%0.799SS**  trans-118.5154.5163.800000108
153E26.4Very low29.8Very low153 Ų153154.7 Ų154.772%0.71580%0.799SS**  trans-145.6154.3165.1-14415712300110K151K151-E153 VanDerWaalsContact CE-OE2 3.31Å; K151-E153 WeakPolarHBondContact CE-OE2 3.31Å; K151-E153 IonicContact NZ-OE2 2.57Å; K151-E153 PolarHBondContact NZ-OE2 3.31Å
154K27.8Very low29.8Very low175 Ų175157.4 Ų157.476%0.76181%0.805SS**  trans-143.5128.9-161.8177.4-158.5172.6-169.60109.3V156K154-V156 HydrophobicContact CD-CG2 4.29Å; K154-V156 HydrophobicContact CG-CG2 4.26Å
155Q28.4Very low29.7Very low182 Ų182156.9 Ų156.985%0.8580%0.801SS**  trans-135.3110.9164.1-62.5176.91.100104.3
156V30.1Very low29.4Very low111 Ų111151.2 Ų151.267%0.67380%0.8SS**  cis86.89147.7-177.20000111.9K154K154-V156 HydrophobicContact CD-CG2 4.29Å; K154-V156 HydrophobicContact CG-CG2 4.26Å
157E29.2Very low29.4Very low178 Ų178144.3 Ų144.383%0.83279%0.793SS**  trans-57.3175.9156.4-71.5177.3100.400113.3
158T32.2Very low29.5Very low118 Ų118146.8 Ų146.872%0.72479%0.791SS**  cis-178.4132.5-21.9-82.20000106.6
159E31.6Very low29.6Very low189 Ų189140.1 Ų140.188%0.88379%0.785SS**  trans-149.8145.3175.1-70.2-173.5175.800109.1
160E32.6Very low29.9Very low179 Ų179138.4 Ų138.484%0.83679%0.791SS**  cis-153.3-167.2-11.6-149.1-107.1100.600109.8
161S29.4Very low30.2Very low101 Ų101133.7 Ų133.771%0.70679%0.792SS**  trans-104.8-172.8-174.6-166.10000113.6
162G27.1Very low30.3Very low71 Ų71131.8 Ų131.873%0.73279%0.791SS**  trans165.2129.5171.200000114.9
163M26.8Very low30.7Very low180 Ų180134 Ų13489%0.88779%0.789SS**  trans-111.8146.9-175.8-66.6157.655.500113
164V30.6Very low30.9Very low160 Ų160135.6 Ų135.697%0.9779%0.793SS**  trans-157.6176.2148-1010000109.9
165A28.3Very low31Very low97 Ų97131.3 Ų131.380%0.80279%0.791SS**  trans-132.8171.9-15300000117.2
166A28.2Very low31.5Very low97 Ų97128 Ų12880%0.80279%0.788SS**  trans95.1125.5145.900000122.7
167A29.8Very low32.3Very low88 Ų88127.9 Ų127.973%0.72779%0.79SS**  trans91.6147.6134.600000123.2
168T31Very low32.4Very low138 Ų138128.5 Ų128.585%0.84779%0.789SS**  trans66.2119.3172.257.80000117
169A33.5Very low32.3Very low90 Ų90134.9 Ų134.974%0.74480%0.8SS**  82.3130.960.500000112.7
170S36.6Very low32.3Very low111 Ų111129.8 Ų129.878%0.77680%0.798SS**  cis-160.2161.56.9-1040000114.9
171S38.5Very low32.6Very low121 Ų121131.7 Ų131.785%0.84680%0.797SS**  trans82.5159.7150.980.80000121.6
172N32.3Very low33.4Very low138 Ų138132.4 Ų132.474%0.73880%0.8SS**  cis-174.2165.8-43.4-168.36.4000107.7
173L34.7Very low33.8Very low137 Ų137132.7 Ų132.772%0.71780%0.796SS**  trans72.3143.2165.3-55-175.5000117.3
174K29.9Very low34.2Very low186 Ų186128.2 Ų128.281%0.80979%0.787SS**  cis-163.1154.7-17.7-146.3-177.8-178.6174.80112.2
175A30.8Very low34.5Very low86 Ų86127 Ų12771%0.71178%0.78SS**  trans58.8116.9146.700000122.9
176S38.3Very low35Very low113 Ų113130.6 Ų130.679%0.7978%0.78SS**  trans-81.8169.5132.6-35.90000109.9
177P46.4Very low35.5Very low108 Ų108131.3 Ų131.370%0.70177%0.774SS**  -162.1146.495.539-17.8000120.5
178K32.9Very low35.9Very low190 Ų190136.4 Ų136.483%0.82678%0.78SS**  trans65.8142.4130.7-65.9173.6-178.8171.20124.9
179R29.9Very low36.4Very low253 Ų253136 Ų13696%0.95577%0.771SS**  trans89137139.1-90.6178.6171.4176.8-3.9121.4
180G30.3Very low37.1Very low81 Ų81137.4 Ų137.484%0.83577%0.773SS**  trans164.274.1168.600000117.4
181R39.4Very low37.2Very low219 Ų219140 Ų14083%0.82677%0.77SS**  trans-161.6154.8165-134.1-158.3173.9-147.1-1.8107.9
182P47Very low37.5Very low116 Ų116140 Ų14075%0.75377%0.767SS**  cis-102.4-149.942.943.2-40.8000112.7
183A34Very low37.7Very low78 Ų78144.9 Ų144.965%0.64578%0.776SS**  cis-149.8168.1-2.500000109.4
184A35.5Very low37.4Very low86 Ų86142.2 Ų142.271%0.71178%0.781SS**  cis108.192.1-6.400000119.6
185T36.9Very low37.8Very low134 Ų134144.9 Ų144.982%0.82279%0.786SS**  trans-128.9123.2146.544.40000106.9
186E38.7Very low38.9Very low173 Ų173145.4 Ų145.481%0.80878%0.782SS**  71.6134.674.6-105.4-165.5109.800114.6
187V38.4Very low38.7Very low111 Ų111149.8 Ų149.867%0.67379%0.787SS**  cis-144.8145.78.6-145.40000107.3
188K37.9Very low38Very low196 Ų196150.4 Ų150.485%0.85279%0.788SS**  -171.5154.672.1-77.1-172.8175.9175.30112.8
189I42.8Very low38Very low129 Ų129148.7 Ų148.766%0.66279%0.794SS**  trans-152.2136.7-175.9-80.2179.9000107.4K191I189-K191 HydrophobicContact CG2-CD 3.66Å; I189-K191 HydrophobicContact CG2-CG 3.93Å
190P47.5Very low38.1Very low120 Ų120144.9 Ų144.978%0.77978%0.784SS**  -139.7156.88724.4-1.2000114.3
191K39.8Very low38.2Very low164 Ų164147.9 Ų147.971%0.71378%0.776SS**  cis74.5148.141-68.6175.3-177.2167.40113.8I189I189-K191 HydrophobicContact CG2-CD 3.66Å; I189-K191 HydrophobicContact CG2-CG 3.93Å
192P44.6Very low38.1Very low121 Ų121143.1 Ų143.179%0.78677%0.774SS**  cis-105172.57.827.7-9.2000113.4
193R35.2Very low37.2Very low242 Ų242141.6 Ų141.691%0.91377%0.765SS**  cis88101.827.1-161.2-177.4-167.7154.36.2115.3
194G30Very low37.6Very low80 Ų80143.4 Ų143.483%0.82577%0.77SS**  trans-145.4153.7170.100000112.3
195R36.4Very low37.4Very low243 Ų243144.2 Ų144.292%0.91777%0.77SS**  trans-144.3-171.9-177.7-146.7-158156.9-159-0.7109.3
196P54.8Low37Very low97 Ų97146.1 Ų146.163%0.6377%0.77SS**  -100.5163.9-128.239.3-22.9000115.2
197K34.4Very low36.5Very low204 Ų204142.8 Ų142.889%0.88777%0.766SS**  trans-165.5168.6141.8-116.6176.3-178.5-178.10115.2
198V31.4Very low36Very low122 Ų122144.4 Ų144.474%0.73977%0.771SS**  trans-55.5162.7-176.4-66.90000117.8
199V33.1Very low35.5Very low154 Ų154143 Ų14393%0.93377%0.769SS**  -145.3165.7122.2141.10000108.1
200K31.2Very low35Very low173 Ų173142.9 Ų142.975%0.75277%0.774SS**  trans-135.2123.8-153.7-159.6-152.8177.9-1730113.8
201Q32.5Very low34.5Very low144 Ų144145.1 Ų145.167%0.67378%0.778SS**  trans62.3-179152-112.4-173.9-2100118
202P37.1Very low34.1Very low119 Ų119143.8 Ų143.877%0.77378%0.779SS**  cis-116.5165.121.942.2-30.6000118.3
203C28.6Very low33.7Very low84 Ų84145.8 Ų145.857%0.56878%0.778SS**  trans-102.8162154.6-51.40000108.1
204P41.8Very low33.5Very low115 Ų115139.3 Ų139.375%0.74776%0.761SS**  -111.6162.798.3-12.331.5000111.8
205S32.6Very low33.5Very low104 Ų104142.9 Ų142.973%0.72775%0.754SS**  cis74.7152.733.4-35.50000112.6
206E27.2Very low33.3Very low173 Ų173136.4 Ų136.481%0.80875%0.746SS**  cis-142.716721.9-65.2176.3139.800113.3
207S28.8Very low32.1Very low104 Ų104141.1 Ų141.173%0.72776%0.756SS**  trans54.5158.2153.537.50000121.8
208D28.2Very low31.9Very low145 Ų145139.6 Ų139.678%0.77575%0.75SS**  cis-138.2175.5-1.8-134.6-50.6000113.4
209M27.7Very low31.8Very low165 Ų165143 Ų14381%0.81375%0.754SS**  trans-83.5165.7-179.8-53.2174.172.300112.2
210V32Very low31.4Very low127 Ų127138.9 Ų138.977%0.7774%0.743SS**  164.4135.6122.6168.50000108
211I37Very low31.8Very low168 Ų168136.2 Ų136.286%0.86274%0.744SS**  trans-128.7128.8159-65.2177.6000106.9
212D32.3Very low31.6Very low136 Ų136137.3 Ų137.373%0.72775%0.749SS**  trans-140131.6169.4-125.6-99.3000103.3
213E34.5Very low31.1Very low163 Ų163138.9 Ų138.976%0.76275%0.746SS**  56139.766.5-66-149.178.100113.7
214D31.4Very low31.2Very low106 Ų106143.8 Ų143.857%0.56776%0.758SS**  cis-136.2177.3-5.8-171.6-136.5000111.8
215K31.5Very low30.7Very low155 Ų155146.8 Ų146.867%0.67476%0.762SS**  trans-39.8147.8164-54.4162.8-140.1700113.6
216S31.1Very low31.2Very low107 Ų107146.6 Ų146.675%0.74876%0.758SS**  169.2129105.4-81.30000116.9
217K30.5Very low31.3Very low195 Ų195147.4 Ų147.485%0.84876%0.759SS**  trans31.4128.2134.2-98.1172.2179.5165.40121.4
218K30.2Very low31.4Very low172 Ų172151.6 Ų151.675%0.74876%0.764SS**  97.8114.4118.5-172.1-175.4179.8-171.80120.1
219K27.8Very low31.4Very low193 Ų193153.2 Ų153.284%0.83977%0.767SS**  trans70.5149.8158.6-70.2-175.5172.5-164.10118.3
220G24.6Very low32.2Very low68 Ų68150.2 Ų150.270%0.70176%0.76SS**  trans-93-156.7159.300000111.3
221P41.3Very low32Very low118 Ų118152.4 Ų152.477%0.76676%0.759SS**  cis-137.4-1632337.5-15.3000115.4
222E26.8Very low31.7Very low167 Ų167151.6 Ų151.678%0.7875%0.749SS**  trans91.2148142.8-147.3149.29300122.2
223E27.8Very low31.4Very low152 Ų152151 Ų15171%0.7174%0.742SS**  trans34.5121.2164.5-89-159.766.300121.9
224K30.4Very low31.2Very low187 Ų187150.7 Ų150.781%0.81374%0.74SS**  -159.7140.271.4-108.2139.6-171.21670115.3
225Q31.9Very low31.1Very low177 Ų177152.3 Ų152.383%0.82775%0.745SS**  trans-103.3-164.9151.3-51-169.6600108.3
226P42.1Very low30.9Very low100 Ų100149.9 Ų149.965%0.64975%0.747SS**  cis-130.8176.1-18.739.6-25000114
227K29.5Very low30.9Very low190 Ų190152.5 Ų152.583%0.82675%0.747SS**  -174.5123124.1-99.7151.4-172.3172.20115.2
228K31.2Very low31Very low193 Ų193151.7 Ų151.784%0.83974%0.744SS**  trans62.886138.5-63.8-171.6174.8-170.40121.2
229Q28.5Very low31.1Very low178 Ų178149.9 Ų149.983%0.83274%0.738SS**  -30.8177.7115.4-80.3-172.8-1.500116.5
230P44.4Very low31.2Very low102 Ų102149.1 Ų149.166%0.66274%0.738SS**  cis-141.5-172.9-35.238.8-21.2000112.8
231K28.1Very low31.4Very low174 Ų174150.9 Ų150.976%0.75773%0.731SS**  165.5129.8129.7-92.6-170.3177.8-173.20110.9
232K29.1Very low31Very low151 Ų151153.4 Ų153.466%0.65773%0.73SS**  71.8145.287.8-66.8-176.2115.5-142.40113.1
233E27.3Very low31.5Very low122 Ų122151.3 Ų151.357%0.5773%0.731SS**  cis-155.2176.910.1-132152.7153.400113.5
234E29.6Very low31.5Very low157 Ų157155.2 Ų155.273%0.73474%0.739SS**  trans-12.2170152.5-77.1151.659.700119.9
235E28.5Very low31.3Very low141 Ų141154.2 Ų154.266%0.65974%0.735SS**  cis166.2144.6-14.7176.9176.7134.200105.5
236S27.5Very low31.5Very low104 Ų104153.1 Ų153.173%0.72773%0.73SS**  trans134.6114.5150.8-62.20000110.9
237Q32.1Very low31.3Very low161 Ų161154.1 Ų154.175%0.75274%0.736SS**  80134.361-70.3-156.942.300115.6
238K31.9Very low31.4Very low178 Ų178150.2 Ų150.277%0.77472%0.724SS**  trans66.2162.3173.5-73.5-177.6162.8-80.40119.7
239E32.8Very low31.6Very low135 Ų135148.1 Ų148.163%0.63172%0.715SS**  cis-173.1141.1-39.3-173.4155.3-132.700111
240E30.6Very low31.8Very low176 Ų176147.6 Ų147.682%0.82271%0.71SS**  trans63158.4159.2-81.8-164127.800126
241D28.3Very low31.1Very low106 Ų106150.5 Ų150.557%0.56772%0.715SS**  trans7099.6158.7-119.5-117.7000126.7
242K32.8Very low31Very low170 Ų170145.9 Ų145.974%0.73972%0.717SS**  trans57.5141.4136.1-66.9-175.1-160.875.70123.4
243P36.7Very low31.1Very low124 Ų124148.5 Ų148.581%0.80573%0.729SS**  trans-99.4161.2174.939.7-36000115.4
244R28.9Very low31.1Very low234 Ų234151 Ų15188%0.88374%0.738SS**  trans-168.6148.4167.3-114.5177.1169.9178-1.2108.2
245K26.1Very low31Very low166 Ų166150.5 Ų150.572%0.72274%0.735SS**  cis-132.7151.42.2-80.2176.2177.5175.80108.1
246E35Very low30.9Very low153 Ų153149.3 Ų149.372%0.71574%0.737SS**  49.1136.577.9-80.1-165.9155.600114.5
247P39.5Very low30.9Very low122 Ų122150.3 Ų150.379%0.79273%0.73SS**  cis-121.4-16842.77.818.8000113.5
248D31.6Very low30.7Very low107 Ų107148.9 Ų148.957%0.57274%0.738SS**  cis-171.5160.5-39.8-109.6-165.7000108.5
249K34.4Very low30.7Very low149 Ų149148.5 Ų148.565%0.64874%0.737SS**  cis-159.1-178.1-14-135.8173.2-159.172.40110.9
250K32.3Very low30.8Very low168 Ų168153.5 Ų153.573%0.7375%0.749SS**  trans-22.7153.6154.2-91.2-163.3162.3-148.90118.4
251E29.3Very low30.9Very low162 Ų162154.5 Ų154.576%0.75775%0.751SS**  cis-148.3177.3-2.2-54.3-162.2124.900110.7
252G27.7Very low31.1Very low78 Ų78157.4 Ų157.480%0.80477%0.767SS**  trans142.9145.8150.100000117
253K30.6Very low31.2Very low206 Ų206156 Ų15690%0.89677%0.772SS**  trans-121.9132173.2-59.8173.3-177.4173.30110.5
254K28Very low31Very low175 Ų175154.8 Ų154.876%0.76177%0.773SS**  trans151.9144143-92.7170.2158.2-105.20111.5
255E26.1Very low31.7Very low146 Ų146153.3 Ų153.368%0.68277%0.773SS**  trans50.2153.2134.6-61.9177.193.600120.3
256V26.9Very low32.8Very low115 Ų115151.7 Ų151.770%0.69778%0.779SS**  cis-162.4160.4-7.2120.20000108.8
257E27Very low32.7Very low126 Ų126147.2 Ų147.259%0.58977%0.774SS**  trans44.3118.3158.9-173.4177.8152.900120.6K259E257-K259 HydrophobicContact CG-CB 4.24Å; E257-K259 WeakPolarHBondContact OE1-CB 3.45Å; E257-K259 WeakPolarHBondContact OE1-CD 3.31Å; E257-K259 WeakPolarHBondContact OE1-CG 3.04Å; E257-K259 IonicContact OE1-NZ 2.71Å; E257-K259 PolarHBondContact OE1-NZ 3.42Å
258S28.8Very low32.5Very low131 Ų131148.4 Ų148.492%0.91678%0.779SS**  trans-97.1102.6153-71.80000110.2
259K31.8Very low32.4Very low170 Ų170149.6 Ų149.674%0.73979%0.79SS**PPolyproline II helixtrans-73148.3-176.2-158.3178-148.787.10112.3E257E257-K259 HydrophobicContact CG-CB 4.24Å; E257-K259 WeakPolarHBondContact OE1-CB 3.45Å; E257-K259 WeakPolarHBondContact OE1-CD 3.31Å; E257-K259 WeakPolarHBondContact OE1-CG 3.04Å; E257-K259 IonicContact OE1-NZ 2.71Å; E257-K259 PolarHBondContact OE1-NZ 3.42Å
260R34.3Very low32.3Very low239 Ų239147.5 Ų147.590%0.90279%0.794SS**PPolyproline II helixtrans-67.4139.2178.8-65.5176.8175.6176.4-2.7112.1
261K33.1Very low32.3Very low197 Ų197145.5 Ų145.586%0.85780%0.796SS**PPolyproline II helixtrans-65.5137.8156.8-94.3-177.4173.9178.30109.9
262N32Very low32.4Very low168 Ų168142.9 Ų142.990%0.89880%0.795SS**  -160.4161.2123.1-115.3-7.3000111.7
263V35.6Very low32.4Very low141 Ų141145.6 Ų145.686%0.85579%0.792SS**  trans-121.7126.6-172170.50000110.4
264A31.9Very low32.5Very low98 Ų98140 Ų14081%0.8178%0.779SS**  trans-165.2137.7151.700000111.5
265K44.3Very low33.2Very low203 Ų203140.7 Ų140.788%0.88378%0.784SS**  trans-103.2176.2155-85.6-174.4176.7-176.30107.1
266P49.3Very low33.4Very low131 Ų131141.6 Ų141.685%0.85179%0.794SS**  cis-123.2-172.47.840.8-24000112.9
267G31.8Very low34.2Very low59 Ų59144.9 Ų144.961%0.60880%0.802SS**  cis161.7-172.6-7.300000112
268V34.8Very low34.4Very low148 Ų148147 Ų14790%0.89782%0.817SS**  trans65.7149.9175.8-41.10000116.7
269T30.3Very low34.6Very low132 Ų132146.6 Ų146.681%0.8181%0.805SS**  cis-129.9165.60.746.80000112.9
270S32.8Very low34.9Very low105 Ų105145.9 Ų145.973%0.73480%0.804SS**  trans-74.4-174.6168.1-46.20000112
271T31.1Very low34.9Very low125 Ų125143.4 Ų143.477%0.76780%0.802SS**  cis-162.6150.840.449.10000114.1
272S31.5Very low34.6Very low107 Ų107137.7 Ų137.775%0.74880%0.8SS**  trans49.2158.1140.9-82.70000122.6
273D28.7Very low34.6Very low136 Ų136133.5 Ų133.573%0.72780%0.796SS**  cis-155.3176.812.9-139.1-133.9000114.8
274S31.7Very low34.7Very low89 Ų89134.7 Ų134.762%0.62279%0.793SS**  trans51104.1160.1-650000122.7
275E43.8Very low35Very low188 Ų188138.2 Ų138.288%0.87979%0.79SS**  22.7133.9114.5-57178.1154.200121.2
276D30.7Very low34.8Very low165 Ų165137.4 Ų137.488%0.88279%0.786SS**  -162.9159.8119-127.8-37.2000111.2
277E42.6Very low34.5Very low185 Ų185141.7 Ų141.786%0.86479%0.785SS**  trans-112.8151.8174.1-69.5-164.4129.800111.6
278D31.7Very low34.9Very low171 Ų171148.2 Ų148.291%0.91480%0.797SS**  trans-162.5162.7141.3-134.7-34.3000112.5
279D33.3Very low34.9Very low122 Ų122145.3 Ų145.365%0.65280%0.797SS**  trans-123176.6-169.7-167-99.8000113.5
280Q37.7Very low35.7Very low155 Ų155142.3 Ų142.372%0.72479%0.793SS**  trans93.9128.2145.1-134140.6113.400121.8
281E33.5Very low36.7Very low186 Ų186149.2 Ų149.287%0.86980%0.802SS**  trans39.4142.4151.5-73.3-153.199.300125.2
282G28.2Very low37.8Very low78 Ų78149.4 Ų149.480%0.80480%0.799SS**  126.9114.8127.100000117.1
283G31Very low38.7Very low80 Ų80153.1 Ų153.183%0.82580%0.802SS**  trans144.989.4159.600000117.6
284E37.7Very low40.1Very low165 Ų165154.9 Ų154.977%0.77181%0.806SS**  trans-71.2141.2160.4-59.3-17891.500111.9
285K38.2Very low41.2Very low172 Ų172154.4 Ų154.475%0.74880%0.799SS**  166.5125.9113.6-88.7143.4-162.4151.60114.8
286K39.7Very low41.8Very low187 Ų187148.1 Ų148.181%0.81378%0.78SS**  trans35.3116.5136-77.1169.2178.4163.90117.3
287R43.5Very low43Very low221 Ų221146.6 Ų146.683%0.83477%0.767SS**  172.315568.1-111.5158.6170.4-171.7-2.8114.7
288K41.1Very low43.7Very low195 Ų195147.1 Ų147.185%0.84876%0.761SS**  trans59.8116.8146.8-75.6-171.8172.1-172.70121.9
289G34.6Very low45Very low87 Ų87148.2 Ų148.290%0.89775%0.752SS**  trans87.5152.9140.600000116.8
290G46.8Very low46.3Very low70 Ų70147.7 Ų147.772%0.72275%0.749SS**  cis143.1117.5-5.400000112.5
291R53.6Low47.3Very low249 Ų249145.5 Ų145.594%0.9474%0.742SS**  trans76117.4-171.3-53.1172.5173.6170.9-2.6115.2
292N53.3Low48.5Very low129 Ų129141.8 Ų141.869%0.6973%0.727SS**  trans-167.611.8142.5-112.5-24.4000116.1Q294 T295N292-Q294 PolarHBondContact O-N 3.28Å; N292-T295 PolarHBondContact O-N 3.42Å; N292-T295 PolarHBondContact OD1-OG1 2.9Å
293F50.6Low50Low185 Ų185145.2 Ų145.281%0.81172%0.72SS**Hα-helixtrans-64.6-33.3-170.8-161.5-104000115T295F293-T295 VanDerWaalsContact C-N 3.34Å; F293-T295 PolarHBondContact O-N 3.3Å
294Q58.3Low51.6Low174 Ų174143.1 Ų143.181%0.81370%0.699SS**Hα-helixtrans-67.3-31.3-178.3-68.1-175.1-1.100113.5N292 A296 H297 R298N292-Q294 PolarHBondContact O-N 3.28Å; Q294-A296 PolarHBondContact O-N 2.92Å; Q294-H297 PolarHBondContact O-N 3.05Å; Q294-R298 PolarHBondContact O-N 3.39Å; Q294-R298 VanDerWaalsContact O-N 3.14Å
295T54.9Low52.6Low79 Ų79141.3 Ų141.349%0.48569%0.69SS.*Hα-helixtrans-65.7-38.4-175.9-480000111.8N292 F293 R299N292-T295 PolarHBondContact O-N 3.42Å; N292-T295 PolarHBondContact OD1-OG1 2.9Å; F293-T295 VanDerWaalsContact C-N 3.34Å; F293-T295 PolarHBondContact O-N 3.3Å; T295-R299 PolarHBondContact O-N 2.61Å
296A56.4Low53.6Low56 Ų56139.8 Ų139.846%0.46369%0.685SS.*Hα-helixtrans-66.8-3917600000112.3Q294 R299 N300Q294-A296 PolarHBondContact O-N 2.92Å; A296-R299 PolarHBondContact O-N 3.03Å; A296-N300 PolarHBondContact O-N 2.89Å; A296-N300 PolarHBondContact O-ND2 3.34Å
297H57.1Low54.8Low132 Ų132137.4 Ų137.461%0.61168%0.677SS**Hα-helixtrans-67.9-40.3179.4-160.7-62.9000112.1Q294 L301Q294-H297 PolarHBondContact O-N 3.05Å; H297-L301 PolarHBondContact O-N 2.76Å
298R57.6Low55.9Low196 Ų196135 Ų13574%0.7467%0.673SS**Hα-helixtrans-63.7-41.9175.7-172.8-179.7-75.5-1203.7111.8Q294 N300 L301 L302Q294-R298 PolarHBondContact O-N 3.39Å; Q294-R298 VanDerWaalsContact O-N 3.14Å; R298-N300 PolarHBondContact O-N 3.2Å; R298-L301 PolarHBondContact O-N 3.47Å; R298-L302 HydrophobicContact CG-CD1 4.32Å; R298-L302 WeakPolarHBondContact O-CD1 3.32Å
299R58.8Low57.1Low194 Ų194130.1 Ų130.173%0.73265%0.653SS**Hα-helixtrans-63.6-39-179.5-174.6176.8-73166.1-3.5113T295 A296 K303T295-R299 PolarHBondContact O-N 2.61Å; A296-R299 PolarHBondContact O-N 3.03Å; R299-K303 PolarHBondContact O-N 3.13Å
300N59.3Low58.8Low112 Ų112128.3 Ų128.360%0.59963%0.63SS**Hα-helixtrans-69.9-35.6178.4-77.5-72000112.8A296 R298 L302 K303 G304A296-N300 PolarHBondContact O-N 2.89Å; A296-N300 PolarHBondContact O-ND2 3.34Å; R298-N300 PolarHBondContact O-N 3.2Å; N300-L302 PolarHBondContact O-N 3.34Å; N300-K303 PolarHBondContact O-N 3.42Å; N300-G304 PolarHBondContact O-N 3.34Å; N300-G304 VanDerWaalsContact O-N 3.14Å
301L58.4Low60Low109 Ų109127.9 Ų127.957%0.57162%0.62SS**Hα-helixtrans-64.3-40.5-178.8-170.762.7000112.8H297 R298 Q305H297-L301 PolarHBondContact O-N 2.76Å; R298-L301 PolarHBondContact O-N 3.47Å; L301-Q305 PolarHBondContact O-N 3.23Å
302L59.7Low60.8Low107 Ų107121.3 Ų121.356%0.5660%0.599SS**Hα-helixtrans-66.8-39.6175-84.377.2000111.9R298 N300 G304 Q305 H306R298-L302 HydrophobicContact CG-CD1 4.32Å; R298-L302 WeakPolarHBondContact O-CD1 3.32Å; N300-L302 PolarHBondContact O-N 3.34Å; L302-G304 VanDerWaalsContact C-N 3.35Å; L302-G304 PolarHBondContact O-N 3.09Å; L302-Q305 PolarHBondContact O-N 3.38Å; L302-H306 PolarHBondContact O-N 3.12Å
303K60Low61.6Low151 Ų151123.1 Ų123.166%0.65760%0.597SS**Hα-helixtrans-62.9-42.2-179-161.7176.2-178.1-174.70111.5R299 N300 Q305 H306 E307R299-K303 PolarHBondContact O-N 3.13Å; N300-K303 PolarHBondContact O-N 3.42Å; K303-Q305 VanDerWaalsContact C-N 3.3Å; K303-Q305 PolarHBondContact O-N 3.34Å; K303-H306 PolarHBondContact O-N 3.31Å; K303-E307 WeakPolarHBondContact O-CB 3.42Å; K303-E307 PolarHBondContact O-N 3.04Å; K303-E307 VanDerWaalsContact O-N 3.1Å
304G63.9Low62.8Low36 Ų36121.7 Ų121.737%0.37159%0.59SS.*Hα-helixtrans-69.1-20.2175.800000115.2N300 L302 K308N300-G304 PolarHBondContact O-N 3.34Å; N300-G304 VanDerWaalsContact O-N 3.14Å; L302-G304 VanDerWaalsContact C-N 3.35Å; L302-G304 PolarHBondContact O-N 3.09Å; G304-K308 PolarHBondContact O-N 2.97Å
305Q58.6Low63.4Low127 Ų127122.3 Ų122.359%0.59359%0.585SS**Hα-helixtrans-75.3-49.7170.7-75.1179.1-22.200111.1L301 L302 K303 E307 K308 E309L301-Q305 PolarHBondContact O-N 3.23Å; L302-Q305 PolarHBondContact O-N 3.38Å; K303-Q305 VanDerWaalsContact C-N 3.3Å; K303-Q305 PolarHBondContact O-N 3.34Å; Q305-E307 VanDerWaalsContact C-N 3.26Å; Q305-E307 PolarHBondContact O-N 2.99Å; Q305-K308 PolarHBondContact O-N 3.03Å; Q305-K308 VanDerWaalsContact O-N 3.16Å; Q305-E309 PolarHBondContact O-N 3.42Å
306H58.5Low64.1Low139 Ų139123.6 Ų123.664%0.64458%0.584SS**Hα-helixtrans-64-30.9-179.6-164.2-64.4000112.6L302 K303 A310L302-H306 PolarHBondContact O-N 3.12Å; K303-H306 PolarHBondContact O-N 3.31Å; H306-A310 WeakPolarHBondContact O-CB 3.48Å; H306-A310 PolarHBondContact O-N 3.46Å
307E65.9Low64.5Low138 Ų138126.9 Ų126.965%0.64559%0.589SS**Hα-helixtrans-70.4-40174.4-168.1171.9169.200112.4K303 Q305 A311K303-E307 WeakPolarHBondContact O-CB 3.42Å; K303-E307 PolarHBondContact O-N 3.04Å; K303-E307 VanDerWaalsContact O-N 3.1Å; Q305-E307 VanDerWaalsContact C-N 3.26Å; Q305-E307 PolarHBondContact O-N 2.99Å; E307-A311 PolarHBondContact O-N 3.43Å
308K65.8Low64.9Low169 Ų169127 Ų12774%0.73559%0.59SS**Hα-helixtrans-64.8-42.6172.4-83.5-173.2172.6-173.90112.6G304 Q305 A311 E312G304-K308 PolarHBondContact O-N 2.97Å; Q305-K308 PolarHBondContact O-N 3.03Å; Q305-K308 VanDerWaalsContact O-N 3.16Å; K308-A311 PolarHBondContact O-N 2.88Å; K308-E312 PolarHBondContact O-N 2.9Å
309E66.4Low65Low93 Ų93123.6 Ų123.644%0.43558%0.583SS.*Hα-helixtrans-65.8-40.3179.2-159.5-165.1141.800111.5Q305 A311 E312 R313Q305-E309 PolarHBondContact O-N 3.42Å; E309-A311 VanDerWaalsContact C-N 3.33Å; E309-A311 PolarHBondContact O-N 3.5Å; E309-E312 PolarHBondContact O-N 3.38Å; E309-R313 WeakPolarHBondContact O-CB 3.29Å; E309-R313 VanDerWaalsContact O-CG 3.29Å; E309-R313 WeakPolarHBondContact O-CG 3.39Å; E309-R313 PolarHBondContact O-N 2.74Å; E309-R313 IonicContact OE1-CZ 2.64Å; E309-R313 IonicContact OE1-NE 3.12Å; E309-R313 PolarHBondContact OE1-NE 2.91Å; E309-R313 IonicContact OE1-NH2 2.69Å; E309-R313 PolarHBondContact OE1-NH2 3.48Å
310A71.3Confident64.8Low50 Ų50120.6 Ų120.641%0.41358%0.577SS.*Hα-helixtrans-61-40.1172.900000112.2H306 K314H306-A310 WeakPolarHBondContact O-CB 3.48Å; H306-A310 PolarHBondContact O-N 3.46Å; A310-K314 WeakPolarHBondContact O-CB 3.28Å; A310-K314 PolarHBondContact O-N 3.47Å
311A71.8Confident64.6Low61 Ų61121.2 Ų121.250%0.50458%0.578SS.*Hα-helixtrans-66.3-40.8175.400000112.7E307 K308 E309 K314 R315E307-A311 PolarHBondContact O-N 3.43Å; K308-A311 PolarHBondContact O-N 2.88Å; E309-A311 VanDerWaalsContact C-N 3.33Å; E309-A311 PolarHBondContact O-N 3.5Å; A311-K314 PolarHBondContact O-N 3.29Å; A311-R315 PolarHBondContact O-N 3.41Å
312E70.2Confident64.5Low111 Ų111121.8 Ų121.852%0.51958%0.578SS.*Hα-helixtrans-66.8-45.2176.4-165.1-166.2127.100111.9K308 E309 K314 R315 K316K308-E312 PolarHBondContact O-N 2.9Å; E309-E312 PolarHBondContact O-N 3.38Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 2.84Å; E312-R315 PolarHBondContact O-N 3.24Å; E312-K316 PolarHBondContact O-N 3.33Å; E312-K316 WeakPolarHBondContact OE1-CE 3.48Å; E312-K316 IonicContact OE1-NZ 2.75Å; E312-K316 PolarHBondContact OE1-NZ 2.86Å
313R71.3Confident64.2Low167 Ų167120.9 Ų120.963%0.6358%0.577SS**Hα-helixtrans-56-43.7174.3-73.7172.7178.7-127.17.7111.1E309 K316 Q317E309-R313 WeakPolarHBondContact O-CB 3.29Å; E309-R313 VanDerWaalsContact O-CG 3.29Å; E309-R313 WeakPolarHBondContact O-CG 3.39Å; E309-R313 PolarHBondContact O-N 2.74Å; E309-R313 IonicContact OE1-CZ 2.64Å; E309-R313 IonicContact OE1-NE 3.12Å; E309-R313 PolarHBondContact OE1-NE 2.91Å; E309-R313 IonicContact OE1-NH2 2.69Å; E309-R313 PolarHBondContact OE1-NH2 3.48Å; R313-K316 PolarHBondContact O-N 2.99Å; R313-Q317 PolarHBondContact O-N 2.98Å; R313-Q317 VanDerWaalsContact O-N 3.1Å
314K74.6Confident63.9Low154 Ų154120.6 Ų120.667%0.6758%0.578SS**Hα-helixtrans-65.5-42.1178.3-162.7175.5-174.6-1770112.4A310 A311 E312 Q317 E318A310-K314 WeakPolarHBondContact O-CB 3.28Å; A310-K314 PolarHBondContact O-N 3.47Å; A311-K314 PolarHBondContact O-N 3.29Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 2.84Å; K314-Q317 WeakPolarHBondContact O-CB 3.31Å; K314-Q317 PolarHBondContact O-N 3.08Å; K314-E318 PolarHBondContact O-N 3.45Å
315R71.9Confident63.2Low187 Ų187126.4 Ų126.471%0.70660%0.595SS**Hα-helixtrans-64.5-40.4176.6-169.5178.1-178.3-165.5-1.6112.6A311 E312 Q317 E318 E319A311-R315 PolarHBondContact O-N 3.41Å; E312-R315 PolarHBondContact O-N 3.24Å; R315-Q317 VanDerWaalsContact C-N 3.28Å; R315-Q317 PolarHBondContact O-N 3.17Å; R315-E318 PolarHBondContact O-N 3.24Å; R315-E319 WeakPolarHBondContact O-CB 3.45Å; R315-E319 PolarHBondContact O-N 3.39Å
316K68.9Low62.6Low107 Ų107127.5 Ų127.547%0.46560%0.6SS.*Hα-helixtrans-63.5-32.3172.7-83.2171.7170.3163.70112.7E312 R313 Q320E312-K316 PolarHBondContact O-N 3.33Å; E312-K316 WeakPolarHBondContact OE1-CE 3.48Å; E312-K316 IonicContact OE1-NZ 2.75Å; E312-K316 PolarHBondContact OE1-NZ 2.86Å; R313-K316 PolarHBondContact O-N 2.99Å; K316-Q320 WeakPolarHBondContact O-CB 3.25Å; K316-Q320 VanDerWaalsContact O-CG 3.26Å; K316-Q320 WeakPolarHBondContact O-CG 3.19Å; K316-Q320 PolarHBondContact O-N 3.37Å; K316-Q320 VanDerWaalsContact O-N 3.07Å
317Q65.1Low62Low124 Ų124125.8 Ų125.858%0.57960%0.596SS**Hα-helixtrans-73-36.7177.3-153.9168.435.900111.9R313 K314 R315 M321R313-Q317 PolarHBondContact O-N 2.98Å; R313-Q317 VanDerWaalsContact O-N 3.1Å; K314-Q317 WeakPolarHBondContact O-CB 3.31Å; K314-Q317 PolarHBondContact O-N 3.08Å; R315-Q317 VanDerWaalsContact C-N 3.28Å; R315-Q317 PolarHBondContact O-N 3.17Å; Q317-M321 WeakPolarHBondContact O-CG 3.4Å; Q317-M321 PolarHBondContact O-N 2.86Å
318E64.2Low61Low135 Ų135128.4 Ų128.463%0.63161%0.605SS**Hα-helixtrans-65.3-46173.1-168167-153.100111.6K314 R315 Q320 M321 E322K314-E318 PolarHBondContact O-N 3.45Å; R315-E318 PolarHBondContact O-N 3.24Å; E318-Q320 VanDerWaalsContact C-N 3.33Å; E318-Q320 PolarHBondContact O-N 2.96Å; E318-M321 PolarHBondContact O-N 2.72Å; E318-E322 PolarHBondContact O-N 3.08Å
319E60.3Low60.2Low124 Ų124127.6 Ų127.658%0.57961%0.609SS**Hα-helixtrans-63.4-33.8176-170.5170.4-150.300112.9R315 T323R315-E319 WeakPolarHBondContact O-CB 3.45Å; R315-E319 PolarHBondContact O-N 3.39Å; E319-T323 PolarHBondContact O-N 2.83Å; E319-T323 PolarHBondContact O-OG1 3.42Å
320Q55.4Low59Low131 Ų131129.6 Ų129.661%0.61262%0.618SS**Hα-helixtrans-70.3-42.8171.5-76.2174.410.600112.4K316 E318 E322 T323 E324K316-Q320 WeakPolarHBondContact O-CB 3.25Å; K316-Q320 VanDerWaalsContact O-CG 3.26Å; K316-Q320 WeakPolarHBondContact O-CG 3.19Å; K316-Q320 PolarHBondContact O-N 3.37Å; K316-Q320 VanDerWaalsContact O-N 3.07Å; E318-Q320 VanDerWaalsContact C-N 3.33Å; E318-Q320 PolarHBondContact O-N 2.96Å; Q320-E322 PolarHBondContact O-N 3.42Å; Q320-T323 WeakPolarHBondContact O-CB 3.41Å; Q320-T323 PolarHBondContact O-N 3.26Å; Q320-E324 PolarHBondContact O-N 2.86Å
321M55Low57.7Low125 Ų125130.6 Ų130.662%0.61663%0.633SS**Hα-helixtrans-63.5-40.1176.5-79.4-171.5161.300112.5Q317 E318 T323 E324 Q325Q317-M321 WeakPolarHBondContact O-CG 3.4Å; Q317-M321 PolarHBondContact O-N 2.86Å; E318-M321 PolarHBondContact O-N 2.72Å; M321-T323 VanDerWaalsContact C-N 3.29Å; M321-T323 PolarHBondContact O-N 3.21Å; M321-E324 PolarHBondContact O-N 2.8Å; M321-Q325 WeakPolarHBondContact O-CB 3.41Å; M321-Q325 PolarHBondContact O-N 3.46Å
322E56.4Low56.5Low122 Ų122137.3 Ų137.357%0.5765%0.651SS**Hα-helixtrans-61.5-39.2174.1-167.4178.6164.600111.5E318 Q320 Q325 Q326E318-E322 PolarHBondContact O-N 3.08Å; Q320-E322 PolarHBondContact O-N 3.42Å; E322-Q325 PolarHBondContact O-N 3Å; E322-Q326 PolarHBondContact O-N 2.9Å
323T51.8Low55.1Low87 Ų87141.6 Ų141.653%0.53467%0.668SS.*Hα-helixtrans-66.9-37.1177.5-58.50000113.1E319 Q320 M321E319-T323 PolarHBondContact O-N 2.83Å; E319-T323 PolarHBondContact O-OG1 3.42Å; Q320-T323 WeakPolarHBondContact O-CB 3.41Å; Q320-T323 PolarHBondContact O-N 3.26Å; M321-T323 VanDerWaalsContact C-N 3.29Å; M321-T323 PolarHBondContact O-N 3.21Å
324E55.1Low54Low146 Ų146137.9 Ų137.968%0.68267%0.666SS**Hα-helixtrans-70.5-40.6172-77.9-159.288.600112.2Q320 M321 Q326 N327Q320-E324 PolarHBondContact O-N 2.86Å; M321-E324 PolarHBondContact O-N 2.8Å; E324-Q326 PolarHBondContact O-N 3.33Å; E324-N327 PolarHBondContact O-N 3.44Å
325Q49.4Very low52.9Low157 Ų157138.9 Ų138.973%0.73467%0.673SS**Hα-helixtrans-65.8-28.8-174.4-159.4151.33600112.3M321 E322 N327M321-Q325 WeakPolarHBondContact O-CB 3.41Å; M321-Q325 PolarHBondContact O-N 3.46Å; E322-Q325 PolarHBondContact O-N 3Å; Q325-N327 VanDerWaalsContact C-N 3.33Å; Q325-N327 PolarHBondContact O-N 2.87Å
326Q45.1Very low51.8Low150 Ų150135.3 Ų135.370%0.70167%0.671SS**THydrogen-bonded Turntrans-72.7-14.8170.8-67-17520.500114.9E322 E324E322-Q326 PolarHBondContact O-N 2.9Å; E324-Q326 PolarHBondContact O-N 3.33Å
327N46.8Very low50.9Low103 Ų103137.3 Ų137.355%0.55168%0.68SS**THydrogen-bonded Turntrans-90.1-8.8179-96.8-78.7000114.5E324 Q325 K338E324-N327 PolarHBondContact O-N 3.44Å; Q325-N327 VanDerWaalsContact C-N 3.33Å; Q325-N327 PolarHBondContact O-N 2.87Å; N327-K338 PolarHBondContact OD1-NZ 3.12Å
328K44.6Very low50.2Low194 Ų194136.3 Ų136.384%0.84367%0.674SS**SBendtrans-88.4-3.2-167.7-150.9163.7-174.91700115.3
329D49.3Very low49.6Very low152 Ų152135.2 Ų135.281%0.81368%0.676SS**SBendtrans-105.6-8.5-170.3-156.4-127.6000115.8G331D329-G331 PolarHBondContact O-N 2.88Å
330E40.8Very low49.1Very low135 Ų135135.4 Ų135.463%0.63168%0.677SS**  trans-94.571175-75.8-167130.900112.4K341E330-K341 VanDerWaalsContact CD-NZ 3.27Å; E330-K341 IonicContact OE1-NZ 2.61Å; E330-K341 PolarHBondContact OE1-NZ 3.43Å; E330-K341 IonicContact OE2-NZ 3.55Å; E330-K341 PolarHBondContact OE2-NZ 3.24Å
331G43.1Very low48.9Very low71 Ų71134 Ų13473%0.73267%0.669SS**  trans-80.5113176.400000115.1D329D329-G331 PolarHBondContact O-N 2.88Å
332K46.3Very low48.9Very low201 Ų201136 Ų13687%0.87467%0.674SS**SBendtrans82.4108.5170.3-64-180174.6173.60119
333K41.6Very low49Very low202 Ų202139.8 Ų139.888%0.87868%0.683SS**  trans73.3143.7156.4-65.2-171.6174.2-173.70119
334P48.5Very low49.1Very low89 Ų89140 Ų14058%0.57868%0.678SS**  cis-120.9165.4-33.338.6-25.7000112.5V336P334-V336 VanDerWaalsContact C-N 3.32Å; P334-V336 PolarHBondContact O-N 3.45Å; P334-V336 VanDerWaalsContact O-N 3.13Å
335E50.8Low49.6Very low175 Ų175136.9 Ų136.982%0.81867%0.669SS**THydrogen-bonded Turntrans-59.1-31.4-161.2-157.5155.696.800116.3K337 K338E335-K337 PolarHBondContact O-N 2.86Å; E335-K337 VanDerWaalsContact O-N 3.07Å; E335-K338 PolarHBondContact O-N 3.27Å
336V48.4Very low51.4Low112 Ų112133.1 Ų133.168%0.67966%0.66SS**Hα-helixtrans-50-40.1-174.9-172.20000112.9P334 K338P334-V336 VanDerWaalsContact C-N 3.32Å; P334-V336 PolarHBondContact O-N 3.45Å; P334-V336 VanDerWaalsContact O-N 3.13Å; V336-K338 VanDerWaalsContact C-N 3.31Å; V336-K338 PolarHBondContact O-N 2.95Å
337K51Low53.6Low148 Ų148127.9 Ų127.964%0.64364%0.636SS**Hα-helixtrans-68.7-23.4-177.4-70.3-172.2174.4-174.40114.3E335 V339 E340 K341E335-K337 PolarHBondContact O-N 2.86Å; E335-K337 VanDerWaalsContact O-N 3.07Å; K337-V339 VanDerWaalsContact C-N 3.3Å; K337-V339 PolarHBondContact O-N 3.48Å; K337-E340 PolarHBondContact O-N 3.26Å; K337-K341 VanDerWaalsContact O-CB 3.31Å; K337-K341 WeakPolarHBondContact O-CB 3.44Å; K337-K341 PolarHBondContact O-N 3.45Å
338K51Low55.8Low104 Ų104123.7 Ų123.745%0.45261%0.613SS.*Hα-helixtrans-74.3-22.5-173.7-128.4175.7-178.4-176.70112.3N327 E335 V336N327-K338 PolarHBondContact OD1-NZ 3.12Å; E335-K338 PolarHBondContact O-N 3.27Å; V336-K338 VanDerWaalsContact C-N 3.31Å; V336-K338 PolarHBondContact O-N 2.95Å
339V52Low58.2Low111 Ų111118 Ų11867%0.67360%0.598SS**Hα-helixtrans-76.9-47.4172.3177.70000111.1K337 K342 R343K337-V339 VanDerWaalsContact C-N 3.3Å; K337-V339 PolarHBondContact O-N 3.48Å; V339-K342 PolarHBondContact O-N 2.9Å; V339-R343 PolarHBondContact O-N 3.06Å; V339-R343 VanDerWaalsContact O-N 3.11Å
340E48.8Very low60.4Low129 Ų129115.4 Ų115.460%0.60358%0.577SS**Hα-helixtrans-59-50.1176.6-66.5-172.411500111.3K337 K342 R343 E344K337-E340 PolarHBondContact O-N 3.26Å; E340-K342 PolarHBondContact O-N 3.32Å; E340-K342 VanDerWaalsContact O-N 3.14Å; E340-R343 PolarHBondContact O-N 3.42Å; E340-E344 VanDerWaalsContact O-CB 3.26Å; E340-E344 WeakPolarHBondContact O-CB 3.33Å; E340-E344 PolarHBondContact O-N 3.39Å
341K51.4Low63Low101 Ų101109 Ų10944%0.43955%0.547SS..Hα-helixtrans-55.8-32.8-179.8-164.5173.9180-176.10112.9E330 K337 T345E330-K341 VanDerWaalsContact CD-NZ 3.27Å; E330-K341 IonicContact OE1-NZ 2.61Å; E330-K341 PolarHBondContact OE1-NZ 3.43Å; E330-K341 IonicContact OE2-NZ 3.55Å; E330-K341 PolarHBondContact OE2-NZ 3.24Å; K337-K341 VanDerWaalsContact O-CB 3.31Å; K337-K341 WeakPolarHBondContact O-CB 3.44Å; K337-K341 PolarHBondContact O-N 3.45Å; K341-T345 WeakPolarHBondContact O-CG2 3.31Å; K341-T345 PolarHBondContact O-N 2.82Å; K341-T345 PolarHBondContact O-OG1 3.14Å
342K55.5Low65.6Low166 Ų166111 Ų11172%0.72254%0.538SS*.Hα-helixtrans-79.3-35.1174.4-79.2-170.5173.8-172.90113.9V339 E340 T345 S346V339-K342 PolarHBondContact O-N 2.9Å; E340-K342 PolarHBondContact O-N 3.32Å; E340-K342 VanDerWaalsContact O-N 3.14Å; K342-T345 PolarHBondContact O-OG1 2.99Å; K342-S346 PolarHBondContact O-N 2.86Å
343R57.7Low68Low203 Ų203109.1 Ų109.177%0.76653%0.525SS*.Hα-helixtrans-73-34.6175.2-170.7176-179.8-178.9-0.2111.4V339 E340 S346 M347V339-R343 PolarHBondContact O-N 3.06Å; V339-R343 VanDerWaalsContact O-N 3.11Å; E340-R343 PolarHBondContact O-N 3.42Å; R343-S346 PolarHBondContact O-N 3.41Å; R343-M347 PolarHBondContact O-N 3.28Å
344E54.2Low70.7Confident92 Ų9299.5 Ų99.543%0.4348%0.483SS..Hα-helixtrans-66.9-46.3178.9-172.9173.5-144.200112E340 S346 M347 D348E340-E344 VanDerWaalsContact O-CB 3.26Å; E340-E344 WeakPolarHBondContact O-CB 3.33Å; E340-E344 PolarHBondContact O-N 3.39Å; E344-S346 VanDerWaalsContact C-N 3.3Å; E344-S346 PolarHBondContact O-N 3.01Å; E344-M347 PolarHBondContact O-N 3.33Å; E344-D348 VanDerWaalsContact O-CB 3.28Å; E344-D348 WeakPolarHBondContact O-CB 3.49Å; E344-D348 PolarHBondContact O-N 3.39Å
345T66Low73.1Confident79 Ų7996 Ų9649%0.48546%0.459SS..Hα-helixtrans-64.8-32174.651.40000113.1K341 K342 S349K341-T345 WeakPolarHBondContact O-CG2 3.31Å; K341-T345 PolarHBondContact O-N 2.82Å; K341-T345 PolarHBondContact O-OG1 3.14Å; K342-T345 PolarHBondContact O-OG1 2.99Å; T345-S349 WeakPolarHBondContact O-CB 3.36Å; T345-S349 PolarHBondContact O-N 3.47Å; T345-S349 PolarHBondContact O-OG 3.39Å
346S86.4Confident75.3Confident79 Ų7989.5 Ų89.555%0.55244%0.435SS*.Hα-helixtrans-65.3-45.9172.9-1780000112K342 R343 E344 S349 R350K342-S346 PolarHBondContact O-N 2.86Å; R343-S346 PolarHBondContact O-N 3.41Å; E344-S346 VanDerWaalsContact C-N 3.3Å; E344-S346 PolarHBondContact O-N 3.01Å; S346-S349 PolarHBondContact O-N 3.14Å; S346-R350 PolarHBondContact O-N 2.75Å; S346-R350 VanDerWaalsContact O-N 3.11Å
347M91.6Very high77.7Confident39 Ų3986.3 Ų86.319%0.19241%0.412CS..Hα-helixtrans-66.3-42.3176.3-166.695.8-6600112.2R343 E344 R350 L351 L382R343-M347 PolarHBondContact O-N 3.28Å; E344-M347 PolarHBondContact O-N 3.33Å; M347-R350 HydrophobicContact CE-CB 4.41Å; M347-R350 WeakPolarHBondContact O-CB 3.42Å; M347-R350 PolarHBondContact O-N 2.91Å; M347-R350 VanDerWaalsContact O-N 3.17Å; M347-L351 HydrophobicContact CG-CD1 4.29Å; M347-L351 WeakPolarHBondContact O-CG 3.25Å; M347-L351 PolarHBondContact O-N 3.22Å; M347-L382 HydrophobicContact CE-CD1 4.37Å; M347-L382 HydrophobicContact CE-CD2 3.66Å; M347-L382 HydrophobicContact SD-CD2 4.43Å
348D92.1Very high79.9Confident15 Ų1579.3 Ų79.38%0.0838%0.382CS..Hα-helixtrans-56.9-49.8175.4-172.9123000111.4E344 R350 L351 Q352 K391 H392E344-D348 VanDerWaalsContact O-CB 3.28Å; E344-D348 WeakPolarHBondContact O-CB 3.49Å; E344-D348 PolarHBondContact O-N 3.39Å; D348-R350 VanDerWaalsContact C-N 3.26Å; D348-R350 PolarHBondContact O-N 2.64Å; D348-L351 PolarHBondContact O-N 3.29Å; D348-L351 VanDerWaalsContact O-N 3.13Å; D348-Q352 WeakPolarHBondContact O-CG 3.39Å; D348-Q352 PolarHBondContact O-N 3.46Å; D348-Q352 PolarHBondContact OD2-NE2 2.93Å; D348-K391 VanDerWaalsContact OD1-CD 3.25Å; D348-K391 WeakPolarHBondContact OD1-CD 3.48Å; D348-K391 WeakPolarHBondContact OD1-CE 3.46Å; D348-K391 IonicContact OD1-NZ 2.72Å; D348-K391 PolarHBondContact OD1-NZ 3.24Å; D348-H392 IonicContact OD1-CE1 2.78Å; D348-H392 IonicContact OD1-NE2 2.64Å; D348-H392 IonicContact OD2-CE1 2.68Å; D348-H392 PolarHBondContact OD2-CE1 2.91Å; D348-H392 IonicContact OD2-NE2 3.07Å
349S94.8Very high82.2Confident74 Ų7478.8 Ų78.852%0.51738%0.38SS..Hα-helixtrans-58.6-36.7176.2-58.60000112.5T345 S346 R353T345-S349 WeakPolarHBondContact O-CB 3.36Å; T345-S349 PolarHBondContact O-N 3.47Å; T345-S349 PolarHBondContact O-OG 3.39Å; S346-S349 PolarHBondContact O-N 3.14Å; S349-R353 WeakPolarHBondContact O-CB 3.44Å; S349-R353 PolarHBondContact O-N 2.9Å
350R95.6Very high84.3Confident99 Ų9977.4 Ų77.437%0.37437%0.369SS..Hα-helixtrans-69.8-41.1176.7-164.9172.5-176.7-177.2-0.8111.8S346 M347 D348 R353 I354 E378 L382S346-R350 PolarHBondContact O-N 2.75Å; S346-R350 VanDerWaalsContact O-N 3.11Å; M347-R350 HydrophobicContact CE-CB 4.41Å; M347-R350 WeakPolarHBondContact O-CB 3.42Å; M347-R350 PolarHBondContact O-N 2.91Å; M347-R350 VanDerWaalsContact O-N 3.17Å; D348-R350 VanDerWaalsContact C-N 3.26Å; D348-R350 PolarHBondContact O-N 2.64Å; R350-R353 WeakPolarHBondContact O-CB 3.45Å; R350-R353 PolarHBondContact O-N 3.02Å; R350-I354 HydrophobicContact CG-CD1 4.27Å; R350-I354 WeakPolarHBondContact O-CG1 3.38Å; R350-I354 PolarHBondContact O-N 3.35Å; R350-E378 IonicContact CZ-OE1 2.66Å; R350-E378 IonicContact NE-OE1 2.82Å; R350-E378 PolarHBondContact NE-OE1 3.45Å; R350-E378 IonicContact NH2-OE1 2.73Å; R350-E378 PolarHBondContact NH2-OE1 3.42Å; R350-L382 HydrophobicContact CG-CD1 4.27Å
351L96.7Very high86.6Confident0 Ų071.5 Ų71.50%034%0.341CS..Hα-helixtrans-68.9-36.7175.8-66.6172.1000112.3M347 D348 H355 L379 L382 V384 Q388 H392 M395M347-L351 HydrophobicContact CG-CD1 4.29Å; M347-L351 WeakPolarHBondContact O-CG 3.25Å; M347-L351 PolarHBondContact O-N 3.22Å; D348-L351 PolarHBondContact O-N 3.29Å; D348-L351 VanDerWaalsContact O-N 3.13Å; L351-H355 WeakPolarHBondContact O-CB 3.34Å; L351-H355 PolarHBondContact O-N 2.65Å; L351-L379 HydrophobicContact CD2-CD1 3.51Å; L351-L382 HydrophobicContact CD2-CD1 3.73Å; L351-L382 HydrophobicContact CG-CD1 4.48Å; L351-V384 HydrophobicContact CD1-CG1 3.91Å; L351-V384 HydrophobicContact CD1-CG2 4.3Å; L351-V384 HydrophobicContact CD2-CG2 3.76Å; L351-Q388 HydrophobicContact CD1-CB 4.18Å; L351-H392 VanDerWaalsContact CD1-CD2 3.42Å; L351-H392 WeakPolarHBondContact CD1-CD2 3.49Å; L351-M395 HydrophobicContact CB-SD 4.49Å; L351-M395 HydrophobicContact CD2-CE 4.24Å; L351-M395 HydrophobicContact CD2-SD 4.17Å
352Q97Very high88.8Confident114 Ų11468.3 Ų68.353%0.53333%0.329SS..Hα-helixtrans-63.8-42.9170.2-69.6-166.44000112.2D348 H355 A356D348-Q352 WeakPolarHBondContact O-CG 3.39Å; D348-Q352 PolarHBondContact O-N 3.46Å; D348-Q352 PolarHBondContact OD2-NE2 2.93Å; Q352-H355 PolarHBondContact O-N 3.32Å; Q352-A356 WeakPolarHBondContact O-CB 3.34Å; Q352-A356 PolarHBondContact O-N 3.33Å
353R97.8Very high90.7Very high161 Ų16165.2 Ų65.261%0.60832%0.316SS*.Hα-helixtrans-57.6-56.3174.9-176.9-169.7-62.4-174.6-1.7110.8S349 R350 H355 A356 E357S349-R353 WeakPolarHBondContact O-CB 3.44Å; S349-R353 PolarHBondContact O-N 2.9Å; R350-R353 WeakPolarHBondContact O-CB 3.45Å; R350-R353 PolarHBondContact O-N 3.02Å; R353-H355 VanDerWaalsContact C-N 3.27Å; R353-H355 PolarHBondContact O-N 3.01Å; R353-A356 CarbonylContact O-C 3.55Å; R353-A356 WeakPolarHBondContact O-CA 3.36Å; R353-A356 WeakPolarHBondContact O-CB 3.25Å; R353-A356 PolarHBondContact O-N 3.04Å; R353-E357 WeakPolarHBondContact O-CB 3.3Å; R353-E357 PolarHBondContact O-N 3.08Å
354I98.1Very high92.3Very high0 Ų063.6 Ų63.60%032%0.321CS..Hα-helixtrans-54.6-43.3178.3-72.3165.4000111.2R350 A356 E357 I358 A375 E378 L379 L382R350-I354 HydrophobicContact CG-CD1 4.27Å; R350-I354 WeakPolarHBondContact O-CG1 3.38Å; R350-I354 PolarHBondContact O-N 3.35Å; I354-A356 PolarHBondContact O-N 3.26Å; I354-E357 WeakPolarHBondContact O-CB 3.29Å; I354-E357 PolarHBondContact O-N 2.89Å; I354-I358 HydrophobicContact CG2-CD1 3.84Å; I354-I358 WeakPolarHBondContact O-CG1 3.46Å; I354-I358 PolarHBondContact O-N 3.08Å; I354-A375 WeakPolarHBondContact CG2-O 3.41Å; I354-E378 HydrophobicContact CD1-CB 4.2Å; I354-E378 HydrophobicContact CD1-CG 3.84Å; I354-E378 HydrophobicContact CG1-CG 4.39Å; I354-E378 VanDerWaalsContact CG1-OE2 3.27Å; I354-E378 WeakPolarHBondContact CG1-OE2 3.45Å; I354-L379 HydrophobicContact CG2-CB 4Å; I354-L379 HydrophobicContact CG2-CD1 4.34Å; I354-L379 HydrophobicContact CG2-CD2 4.16Å; I354-L379 HydrophobicContact CG2-CG 4.39Å; I354-L382 HydrophobicContact CD1-CD1 3.55Å
355H98.2Very high94.2Very high16 Ų1665.6 Ų65.67%0.07433%0.334CS..Hα-helixtrans-62.6-41.9176.2-178.5-145.1000112.3L351 Q352 R353 K359 E394 M395 T398L351-H355 WeakPolarHBondContact O-CB 3.34Å; L351-H355 PolarHBondContact O-N 2.65Å; Q352-H355 PolarHBondContact O-N 3.32Å; R353-H355 VanDerWaalsContact C-N 3.27Å; R353-H355 PolarHBondContact O-N 3.01Å; H355-K359 PolarHBondContact CE1-NZ 2.98Å; H355-K359 PolarHBondContact ND1-NZ 2.94Å; H355-K359 WeakPolarHBondContact O-CB 3.18Å; H355-K359 WeakPolarHBondContact O-CE 3.34Å; H355-K359 VanDerWaalsContact O-CG 3.28Å; H355-K359 WeakPolarHBondContact O-CG 3.44Å; H355-K359 PolarHBondContact O-N 3.14Å; H355-K359 VanDerWaalsContact O-N 3.09Å; H355-E394 VanDerWaalsContact CE1-CB 3.5Å; H355-E394 WeakPolarHBondContact CE1-CB 3.13Å; H355-E394 IonicContact CE1-OE2 3.33Å; H355-E394 PolarHBondContact NE2-O 2.94Å; H355-M395 HydrophobicContact CB-CB 4.14Å; H355-M395 HydrophobicContact CB-CG 4.13Å; H355-T398 PolarHBondContact NE2-OG1 3.26Å
356A98Very high95.4Very high37 Ų3767.7 Ų67.731%0.30634%0.342SS..Hα-helixtrans-66.2-39.9174.600000112.4Q352 R353 I354 K359 N360Q352-A356 WeakPolarHBondContact O-CB 3.34Å; Q352-A356 PolarHBondContact O-N 3.33Å; R353-A356 CarbonylContact O-C 3.55Å; R353-A356 WeakPolarHBondContact O-CA 3.36Å; R353-A356 WeakPolarHBondContact O-CB 3.25Å; R353-A356 PolarHBondContact O-N 3.04Å; I354-A356 PolarHBondContact O-N 3.26Å; A356-K359 PolarHBondContact O-N 2.97Å; A356-N360 WeakPolarHBondContact O-CB 3.35Å; A356-N360 VanDerWaalsContact O-CG 3.29Å; A356-N360 PolarHBondContact O-N 3.15Å; A356-N360 PolarHBondContact O-ND2 2.97Å
357E98Very high95.8Very high45 Ų4567.8 Ų67.821%0.2134%0.336CS..Hα-helixtrans-60.7-50.4177.4-154.3103.7-135.100111R353 I354 K359 N360 S361 R371 A375R353-E357 WeakPolarHBondContact O-CB 3.3Å; R353-E357 PolarHBondContact O-N 3.08Å; I354-E357 WeakPolarHBondContact O-CB 3.29Å; I354-E357 PolarHBondContact O-N 2.89Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.31Å; E357-N360 PolarHBondContact O-N 3.31Å; E357-S361 WeakPolarHBondContact O-CB 3.35Å; E357-S361 PolarHBondContact O-N 3.04Å; E357-S361 PolarHBondContact O-OG 3.46Å; E357-R371 HydrophobicContact CG-CG 4.29Å; E357-R371 IonicContact OE1-CZ 3.96Å; E357-R371 IonicContact OE1-NE 3.45Å; E357-R371 PolarHBondContact OE1-NE 3.41Å; E357-R371 IonicContact OE1-NH2 3.04Å; E357-R371 PolarHBondContact OE1-NH2 2.9Å; E357-A375 HydrophobicContact CB-CB 4.07Å; E357-A375 HydrophobicContact CG-CB 4.01Å
358I98.1Very high96.1Very high2 Ų269 Ų691%0.0134%0.343CS..Hα-helixtrans-60.5-41.2174.9-66.9166.1000111.1I354 L362 A375 L376 T398 I402I354-I358 HydrophobicContact CG2-CD1 3.84Å; I354-I358 WeakPolarHBondContact O-CG1 3.46Å; I354-I358 PolarHBondContact O-N 3.08Å; I358-L362 HydrophobicContact CG2-CD1 4.27Å; I358-L362 WeakPolarHBondContact O-CB 3.46Å; I358-L362 WeakPolarHBondContact O-CG 3.16Å; I358-L362 PolarHBondContact O-N 3.23Å; I358-A375 HydrophobicContact CD1-CB 4.44Å; I358-A375 HydrophobicContact CG1-CB 3.73Å; I358-L376 HydrophobicContact CD1-CD2 3.79Å; I358-L376 HydrophobicContact CD1-CG 4.31Å; I358-L376 HydrophobicContact CG1-CD2 4.49Å; I358-T398 HydrophobicContact CG2-CG2 4.19Å; I358-I402 HydrophobicContact CG2-CD1 3.91Å
359K97.6Very high96.4Very high93 Ų9370.2 Ų70.240%0.40435%0.351SS..Hα-helixtrans-67.8-35177-76.7178.6-59.7-162.40112.9H355 A356 E357 T398H355-K359 PolarHBondContact CE1-NZ 2.98Å; H355-K359 PolarHBondContact ND1-NZ 2.94Å; H355-K359 WeakPolarHBondContact O-CB 3.18Å; H355-K359 WeakPolarHBondContact O-CE 3.34Å; H355-K359 VanDerWaalsContact O-CG 3.28Å; H355-K359 WeakPolarHBondContact O-CG 3.44Å; H355-K359 PolarHBondContact O-N 3.14Å; H355-K359 VanDerWaalsContact O-N 3.09Å; A356-K359 PolarHBondContact O-N 2.97Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.31Å; K359-T398 HydrophobicContact CG-CG2 4.23Å
360N97.6Very high96.5Very high82 Ų8271.9 Ų71.944%0.43936%0.355SS..Hα-helixtrans-77.6-44.8-179.3-79-34000111.8A356 E357 L362 K363A356-N360 WeakPolarHBondContact O-CB 3.35Å; A356-N360 VanDerWaalsContact O-CG 3.29Å; A356-N360 PolarHBondContact O-N 3.15Å; A356-N360 PolarHBondContact O-ND2 2.97Å; E357-N360 PolarHBondContact O-N 3.31Å; N360-L362 PolarHBondContact O-N 2.76Å; N360-K363 WeakPolarHBondContact O-CB 3.14Å; N360-K363 WeakPolarHBondContact O-CG 3.39Å; N360-K363 PolarHBondContact O-N 2.9Å; N360-K363 WeakPolarHBondContact OD1-CE 3.36Å; N360-K363 PolarHBondContact OD1-NZ 3.3Å
361S97.4Very high96.6Very high4 Ų473 Ų733%0.02836%0.359CS..Hα-helixtrans-66.4-20.9-179.7-47.50000112.5E357 D368 R371E357-S361 WeakPolarHBondContact O-CB 3.35Å; E357-S361 PolarHBondContact O-N 3.04Å; E357-S361 PolarHBondContact O-OG 3.46Å; S361-D368 WeakPolarHBondContact CB-O 3.3Å; S361-D368 PolarHBondContact O-N 2.95Å; S361-R371 WeakPolarHBondContact OG-CG 3.07Å
362L96.7Very high96.7Very high35 Ų3573 Ų7318%0.18336%0.359CS..BIsolated β-bridgetrans-107.929.2176.4-59.5179.1000113.2I358 N360 L367 C372 I402 F405 I411I358-L362 HydrophobicContact CG2-CD1 4.27Å; I358-L362 WeakPolarHBondContact O-CB 3.46Å; I358-L362 WeakPolarHBondContact O-CG 3.16Å; I358-L362 PolarHBondContact O-N 3.23Å; N360-L362 PolarHBondContact O-N 2.76Å; L362-L367 HydrophobicContact CD2-CD1 3.62Å; L362-C372 VanDerWaalsContact CD1-SG 3.58Å; L362-C372 HydrophobicContact CD2-CB 4.04Å; L362-C372 HydrophobicContact CG-CB 4.19Å; L362-I402 HydrophobicContact CD1-CB 4.1Å; L362-I402 HydrophobicContact CD1-CD1 4.28Å; L362-I402 HydrophobicContact CD1-CG2 3.42Å; L362-I402 VanDerWaalsContact CD1-CG2 3.42Å; L362-F405 HydrophobicContact CD2-CE1 4.12Å; L362-F405 HydrophobicContact CD2-CE2 4.09Å; L362-F405 HydrophobicContact CD2-CZ 3.85Å; L362-I411 HydrophobicContact CD2-CD1 4.16Å
363K95.1Very high96.7Very high100 Ų10069 Ų6944%0.43534%0.34SS..  trans-70.7149.3168.4-83171.1170.31650110.6N360 D365 N366 L367N360-K363 WeakPolarHBondContact O-CB 3.14Å; N360-K363 WeakPolarHBondContact O-CG 3.39Å; N360-K363 PolarHBondContact O-N 2.9Å; N360-K363 WeakPolarHBondContact OD1-CE 3.36Å; N360-K363 PolarHBondContact OD1-NZ 3.3Å; K363-D365 VanDerWaalsContact C-N 3.29Å; K363-D365 PolarHBondContact O-N 3.13Å; K363-N366 CarbonylContact O-C 3.44Å; K363-L367 PolarHBondContact O-N 3.43Å
364I92.4Very high96.8Very high170 Ų17067.4 Ų67.487%0.87234%0.34SS*.SBendtrans-66.9-37178.7-60.5174.6000110.2
365D93.2Very high96.8Very high134 Ų13467.6 Ų67.672%0.71734%0.342SS*.SBendtrans-78.4-23.6-174.9-30.4-84.7000112.7K363K363-D365 VanDerWaalsContact C-N 3.29Å; K363-D365 PolarHBondContact O-N 3.13Å
366N90.4Very high96.8Very high122 Ų12266.8 Ų66.865%0.65234%0.338SS*.SBendtrans-149.390.4-176.6-73.2-95.2000108.6K363K363-N366 CarbonylContact O-C 3.44Å
367L96.5Very high96.8Very high82 Ų8268.2 Ų68.243%0.42934%0.341SS..BIsolated β-bridgetrans-92.5113177.9172.659000110.7L362 K363 V369 F405 V407L362-L367 HydrophobicContact CD2-CD1 3.62Å; K363-L367 PolarHBondContact O-N 3.43Å; L367-V369 HydrophobicContact CD1-CG2 4.35Å; L367-V369 HydrophobicContact CG-CG2 4.33Å; L367-F405 HydrophobicContact CD1-CE1 4.49Å; L367-F405 HydrophobicContact CD1-CE2 4.31Å; L367-F405 HydrophobicContact CD1-CZ 3.63Å; L367-F405 HydrophobicContact CD2-CZ 3.99Å; L367-F405 HydrophobicContact CG-CZ 4.47Å; L367-V407 HydrophobicContact CD2-CB 4.46Å; L367-V407 HydrophobicContact CD2-CG1 4.12Å
368D97.3Very high96.8Very high64 Ų6468.4 Ų68.434%0.34234%0.341SS..  trans-113.8105.6173.2-172.7-21.4000109.7S361 N370 R371 C372S361-D368 WeakPolarHBondContact CB-O 3.3Å; S361-D368 PolarHBondContact O-N 2.95Å; D368-N370 PolarHBondContact OD1-N 3.09Å; D368-R371 HydrophobicContact CB-CB 4.17Å; D368-R371 WeakPolarHBondContact OD1-CB 3.43Å; D368-R371 PolarHBondContact OD1-N 3.49Å; D368-R371 WeakPolarHBondContact OD2-CB 3.36Å; D368-C372 WeakPolarHBondContact O-CB 3.44Å; D368-C372 PolarHBondContact O-N 2.7Å
369V97.2Very high96.8Very high40 Ų4068.3 Ų68.324%0.24234%0.341CS..Hα-helixtrans-72.9-37.6179.6172.70000111.2L367 C372 I373 I411L367-V369 HydrophobicContact CD1-CG2 4.35Å; L367-V369 HydrophobicContact CG-CG2 4.33Å; V369-C372 PolarHBondContact O-N 2.91Å; V369-I373 HydrophobicContact CG1-CD1 3.85Å; V369-I373 VanDerWaalsContact O-CG1 3.29Å; V369-I373 WeakPolarHBondContact O-CG1 3.41Å; V369-I373 PolarHBondContact O-N 3.32Å; V369-I373 VanDerWaalsContact O-N 3.09Å; V369-I411 HydrophobicContact CB-CD1 4.48Å; V369-I411 HydrophobicContact CG1-CD1 3.99Å
370N97.6Very high96.7Very high110 Ų11065.3 Ų65.359%0.58833%0.334SS*.Hα-helixtrans-72.7-49.1-172.7-67.1-17.1000110.6D368 C372 I373 E374D368-N370 PolarHBondContact OD1-N 3.09Å; N370-C372 PolarHBondContact O-N 3.06Å; N370-I373 WeakPolarHBondContact O-CA 3.06Å; N370-I373 WeakPolarHBondContact O-CB 3Å; N370-I373 PolarHBondContact O-N 3.21Å; N370-E374 WeakPolarHBondContact O-CG 3.5Å; N370-E374 PolarHBondContact O-N 3.21Å
371R98.1Very high96.6Very high122 Ų12265.7 Ų65.746%0.4634%0.343SS..Hα-helixtrans-62.3-30.9176.7-167.6-179.9-167.6118.811.1112.8E357 S361 D368 A375E357-R371 HydrophobicContact CG-CG 4.29Å; E357-R371 IonicContact OE1-CZ 3.96Å; E357-R371 IonicContact OE1-NE 3.45Å; E357-R371 PolarHBondContact OE1-NE 3.41Å; E357-R371 IonicContact OE1-NH2 3.04Å; E357-R371 PolarHBondContact OE1-NH2 2.9Å; S361-R371 WeakPolarHBondContact OG-CG 3.07Å; D368-R371 HydrophobicContact CB-CB 4.17Å; D368-R371 WeakPolarHBondContact OD1-CB 3.43Å; D368-R371 PolarHBondContact OD1-N 3.49Å; D368-R371 WeakPolarHBondContact OD2-CB 3.36Å; R371-A375 WeakPolarHBondContact O-CB 3.29Å; R371-A375 PolarHBondContact O-N 3.21Å; R371-A375 VanDerWaalsContact O-N 3.08Å
372C98.4Very high96.5Very high0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-69.5-35.6170.8-171.20000112.6L362 D368 V369 N370 L376 I411L362-C372 VanDerWaalsContact CD1-SG 3.58Å; L362-C372 HydrophobicContact CD2-CB 4.04Å; L362-C372 HydrophobicContact CG-CB 4.19Å; D368-C372 WeakPolarHBondContact O-CB 3.44Å; D368-C372 PolarHBondContact O-N 2.7Å; V369-C372 PolarHBondContact O-N 2.91Å; N370-C372 PolarHBondContact O-N 3.06Å; C372-L376 WeakPolarHBondContact O-CD1 3.47Å; C372-L376 WeakPolarHBondContact O-CG 3.18Å; C372-L376 PolarHBondContact O-N 2.86Å; C372-I411 HydrophobicContact CB-CD1 3.73Å
373I98.3Very high96.2Very high29 Ų2973 Ų7315%0.14938%0.375CS..Hα-helixtrans-68.3-46.4175.7-69.4164.8000110.1V369 N370 A375 L376 D377 V410 I411 K414V369-I373 HydrophobicContact CG1-CD1 3.85Å; V369-I373 VanDerWaalsContact O-CG1 3.29Å; V369-I373 WeakPolarHBondContact O-CG1 3.41Å; V369-I373 PolarHBondContact O-N 3.32Å; V369-I373 VanDerWaalsContact O-N 3.09Å; N370-I373 WeakPolarHBondContact O-CA 3.06Å; N370-I373 WeakPolarHBondContact O-CB 3Å; N370-I373 PolarHBondContact O-N 3.21Å; I373-A375 PolarHBondContact O-N 3.32Å; I373-L376 WeakPolarHBondContact O-CB 3.48Å; I373-L376 PolarHBondContact O-N 2.85Å; I373-D377 PolarHBondContact O-N 2.73Å; I373-V410 HydrophobicContact CD1-CB 4.05Å; I373-V410 HydrophobicContact CD1-CG1 3.9Å; I373-V410 HydrophobicContact CG1-CG1 4.14Å; I373-V410 HydrophobicContact CG2-CG1 4.36Å; I373-I411 HydrophobicContact CD1-CG1 4.32Å; I373-I411 HydrophobicContact CG1-CD1 4.3Å; I373-I411 HydrophobicContact CG1-CG1 3.65Å; I373-K414 HydrophobicContact CG2-CD 4.13Å
374E98.4Very high96.2Very high128 Ų12868.7 Ų68.760%0.59836%0.358SS*.Hα-helixtrans-55.3-47.6175.9-70166.4-166.700112N370 L376 D377 E378N370-E374 WeakPolarHBondContact O-CG 3.5Å; N370-E374 PolarHBondContact O-N 3.21Å; E374-L376 VanDerWaalsContact C-N 3.28Å; E374-L376 PolarHBondContact O-N 3Å; E374-D377 PolarHBondContact O-N 3.14Å; E374-E378 PolarHBondContact O-N 3.47Å
375A98.4Very high96.1Very high4 Ų463.8 Ų63.83%0.03334%0.336CS..Hα-helixtrans-65.3-28.5177.500000113.5I354 E357 I358 R371 I373 L379I354-A375 WeakPolarHBondContact CG2-O 3.41Å; E357-A375 HydrophobicContact CB-CB 4.07Å; E357-A375 HydrophobicContact CG-CB 4.01Å; I358-A375 HydrophobicContact CD1-CB 4.44Å; I358-A375 HydrophobicContact CG1-CB 3.73Å; R371-A375 WeakPolarHBondContact O-CB 3.29Å; R371-A375 PolarHBondContact O-N 3.21Å; R371-A375 VanDerWaalsContact O-N 3.08Å; I373-A375 PolarHBondContact O-N 3.32Å; A375-L379 WeakPolarHBondContact O-CB 3.42Å; A375-L379 PolarHBondContact O-N 3.12Å
376L98.3Very high96Very high0 Ų058.9 Ų58.90%031%0.309CS..Hα-helixtrans-75.8-36.8173.4-69.5166.8000111.5I358 C372 I373 E374 L379 A380 L399 I402 I411 K414 L418I358-L376 HydrophobicContact CD1-CD2 3.79Å; I358-L376 HydrophobicContact CD1-CG 4.31Å; I358-L376 HydrophobicContact CG1-CD2 4.49Å; C372-L376 WeakPolarHBondContact O-CD1 3.47Å; C372-L376 WeakPolarHBondContact O-CG 3.18Å; C372-L376 PolarHBondContact O-N 2.86Å; I373-L376 WeakPolarHBondContact O-CB 3.48Å; I373-L376 PolarHBondContact O-N 2.85Å; E374-L376 VanDerWaalsContact C-N 3.28Å; E374-L376 PolarHBondContact O-N 3Å; L376-L379 PolarHBondContact O-N 2.93Å; L376-A380 PolarHBondContact O-N 3.17Å; L376-L399 HydrophobicContact CD2-CD2 3.43Å; L376-L399 VanDerWaalsContact CD2-CD2 3.43Å; L376-I402 HydrophobicContact CD1-CD1 4.25Å; L376-I402 HydrophobicContact CD2-CD1 4.1Å; L376-I411 HydrophobicContact CD1-CG1 4.44Å; L376-I411 HydrophobicContact CD1-CG2 4.16Å; L376-K414 HydrophobicContact CB-CB 4.34Å; L376-K414 HydrophobicContact CD1-CB 4.3Å; L376-L418 HydrophobicContact CB-CD1 3.99Å; L376-L418 HydrophobicContact CD2-CD1 3.62Å; L376-L418 HydrophobicContact CG-CD1 4.41Å; L376-L418 WeakPolarHBondContact O-CD1 3.38Å
377D98.1Very high96Very high67 Ų6757.4 Ų57.436%0.35830%0.298SS..Hα-helixtrans-70.2-38.1175.3-69.5-33.8000112I373 E374 L379 A380 S381 K414I373-D377 PolarHBondContact O-N 2.73Å; E374-D377 PolarHBondContact O-N 3.14Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 2.99Å; D377-A380 WeakPolarHBondContact O-CB 3.44Å; D377-A380 PolarHBondContact O-N 3.38Å; D377-A380 VanDerWaalsContact O-N 3.13Å; D377-S381 PolarHBondContact O-N 3.48Å; D377-K414 WeakPolarHBondContact OD1-CD 3.45Å; D377-K414 WeakPolarHBondContact OD1-CE 3.41Å; D377-K414 IonicContact OD1-NZ 2.83Å; D377-K414 PolarHBondContact OD1-NZ 3.27Å; D377-K414 IonicContact OD2-NZ 2.75Å; D377-K414 PolarHBondContact OD2-NZ 3.07Å
378E97.9Very high95.8Very high48 Ų4854.8 Ų54.822%0.22428%0.284CS..Hα-helixtrans-57.2-47.4169.5-166.4-176.5-170.600110R350 I354 E374 A380 S381 L382R350-E378 IonicContact CZ-OE1 2.66Å; R350-E378 IonicContact NE-OE1 2.82Å; R350-E378 PolarHBondContact NE-OE1 3.45Å; R350-E378 IonicContact NH2-OE1 2.73Å; R350-E378 PolarHBondContact NH2-OE1 3.42Å; I354-E378 HydrophobicContact CD1-CB 4.2Å; I354-E378 HydrophobicContact CD1-CG 3.84Å; I354-E378 HydrophobicContact CG1-CG 4.39Å; I354-E378 VanDerWaalsContact CG1-OE2 3.27Å; I354-E378 WeakPolarHBondContact CG1-OE2 3.45Å; E374-E378 PolarHBondContact O-N 3.47Å; E378-A380 VanDerWaalsContact C-N 3.28Å; E378-A380 PolarHBondContact O-N 3.47Å; E378-S381 PolarHBondContact O-N 3.27Å; E378-S381 PolarHBondContact O-OG 3.31Å; E378-L382 WeakPolarHBondContact O-CG 3.48Å; E378-L382 PolarHBondContact O-N 3.47Å; E378-L382 VanDerWaalsContact O-N 3.14Å
379L97.4Very high95.6Very high0 Ų051.7 Ų51.70%027%0.267CS..Hα-helixtrans-64.2-29.1176.7-167.153.4000113.9L351 I354 A375 L376 D377 V384 M395 L399 L418 F422L351-L379 HydrophobicContact CD2-CD1 3.51Å; I354-L379 HydrophobicContact CG2-CB 4Å; I354-L379 HydrophobicContact CG2-CD1 4.34Å; I354-L379 HydrophobicContact CG2-CD2 4.16Å; I354-L379 HydrophobicContact CG2-CG 4.39Å; A375-L379 WeakPolarHBondContact O-CB 3.42Å; A375-L379 PolarHBondContact O-N 3.12Å; L376-L379 PolarHBondContact O-N 2.93Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 2.99Å; L379-V384 HydrophobicContact CD1-CG2 4.34Å; L379-M395 HydrophobicContact CD1-CE 3.92Å; L379-M395 HydrophobicContact CD1-SD 3.75Å; L379-M395 HydrophobicContact CD2-CE 4.16Å; L379-M395 HydrophobicContact CD2-CG 4.25Å; L379-M395 HydrophobicContact CD2-SD 3.71Å; L379-M395 HydrophobicContact CG-SD 4.42Å; L379-L399 HydrophobicContact CD2-CD1 4.12Å; L379-L399 HydrophobicContact CD2-CD2 4.33Å; L379-L418 HydrophobicContact CB-CD1 4.35Å; L379-L418 HydrophobicContact CD2-CD1 4.38Å; L379-L418 HydrophobicContact CG-CD2 4.34Å; L379-F422 HydrophobicContact CD1-CZ 4.09Å; L379-F422 HydrophobicContact CD2-CE2 4.19Å; L379-F422 HydrophobicContact CG-CE2 4.3Å; L379-F422 HydrophobicContact CG-CZ 4.27Å
380A96.4Very high95.3Very high31 Ų3154.1 Ų54.126%0.25628%0.276SS..Hα-helixtrans-69.1-45174.100000111.3L376 D377 E378 L382 M417 L418 K421L376-A380 PolarHBondContact O-N 3.17Å; D377-A380 WeakPolarHBondContact O-CB 3.44Å; D377-A380 PolarHBondContact O-N 3.38Å; D377-A380 VanDerWaalsContact O-N 3.13Å; E378-A380 VanDerWaalsContact C-N 3.28Å; E378-A380 PolarHBondContact O-N 3.47Å; A380-L382 VanDerWaalsContact C-N 3.26Å; A380-L382 PolarHBondContact O-N 2.9Å; A380-M417 HydrophobicContact CB-CE 4.31Å; A380-L418 HydrophobicContact CB-CD2 3.98Å; A380-K421 PolarHBondContact O-NZ 3.07Å
381S95.8Very high95.2Very high90 Ų9055 Ų5563%0.62928%0.275SS*.Hα-helixtrans-64.2-26.4177.9790000113.6D377 E378 Q383D377-S381 PolarHBondContact O-N 3.48Å; E378-S381 PolarHBondContact O-N 3.27Å; E378-S381 PolarHBondContact O-OG 3.31Å; S381-Q383 PolarHBondContact O-N 3.27Å
382L94.5Very high95Very high11 Ų1150.2 Ų50.26%0.05826%0.257CS..SBendtrans-71.5129180-71.8-177000113M347 R350 L351 I354 E378 A380 V384 K421M347-L382 HydrophobicContact CE-CD1 4.37Å; M347-L382 HydrophobicContact CE-CD2 3.66Å; M347-L382 HydrophobicContact SD-CD2 4.43Å; R350-L382 HydrophobicContact CG-CD1 4.27Å; L351-L382 HydrophobicContact CD2-CD1 3.73Å; L351-L382 HydrophobicContact CG-CD1 4.48Å; I354-L382 HydrophobicContact CD1-CD1 3.55Å; E378-L382 WeakPolarHBondContact O-CG 3.48Å; E378-L382 PolarHBondContact O-N 3.47Å; E378-L382 VanDerWaalsContact O-N 3.14Å; A380-L382 VanDerWaalsContact C-N 3.26Å; A380-L382 PolarHBondContact O-N 2.9Å; L382-V384 HydrophobicContact CB-CG2 3.73Å; L382-V384 PolarHBondContact O-N 2.85Å; L382-K421 PolarHBondContact O-NZ 3.33Å
383Q91.8Very high94.9Very high180 Ų18053.7 Ų53.784%0.84128%0.279SS*.  trans-79.465.1168-166.4-176.310.900110.5S381S381-Q383 PolarHBondContact O-N 3.27Å
384V93.1Very high94.8Very high11 Ų1158.7 Ų58.77%0.06730%0.301CS..  trans-68.1131.9178.3-173.10000110.2L351 L379 L382 Q388 F422 M425L351-V384 HydrophobicContact CD1-CG1 3.91Å; L351-V384 HydrophobicContact CD1-CG2 4.3Å; L351-V384 HydrophobicContact CD2-CG2 3.76Å; L379-V384 HydrophobicContact CD1-CG2 4.34Å; L382-V384 HydrophobicContact CB-CG2 3.73Å; L382-V384 PolarHBondContact O-N 2.85Å; V384-Q388 HydrophobicContact CG1-CB 3.78Å; V384-F422 HydrophobicContact CB-CE1 3.88Å; V384-F422 HydrophobicContact CB-CZ 4.41Å; V384-F422 HydrophobicContact CG1-CE1 3.84Å; V384-F422 HydrophobicContact CG2-CE1 4.23Å; V384-F422 HydrophobicContact CG2-CZ 4.26Å; V384-M425 WeakPolarHBondContact O-CE 3.37Å
385T91.9Very high94.8Very high66 Ų6652.7 Ų52.741%0.40527%0.274SS..  trans-84.2164.9176.4750000112Q387 Q388 A389 M425T385-Q387 VanDerWaalsContact C-N 3.35Å; T385-Q387 PolarHBondContact O-N 2.8Å; T385-Q388 PolarHBondContact O-N 3.31Å; T385-Q388 WeakPolarHBondContact OG1-CG 3.46Å; T385-Q388 PolarHBondContact OG1-N 2.92Å; T385-A389 WeakPolarHBondContact O-CB 3.5Å; T385-A389 PolarHBondContact O-N 3.32Å; T385-M425 VanDerWaalsContact C-CE 3.47Å
386M91.1Very high94.7Very high32 Ų3253.3 Ų53.316%0.15828%0.276CS..Hα-helixtrans-65.1-35.9176.6168.714734.600113.1A389 Q390 M425 G429 E430M386-A389 PolarHBondContact O-N 2.85Å; M386-Q390 WeakPolarHBondContact O-CG 3.41Å; M386-Q390 PolarHBondContact O-N 2.9Å; M386-M425 HydrophobicContact CB-CE 4.33Å; M386-M425 VanDerWaalsContact CE-O 3.25Å; M386-M425 WeakPolarHBondContact CE-O 3.48Å; M386-G429 VanDerWaalsContact CE-CA 3.48Å; M386-E430 HydrophobicContact CE-CG 3.93Å
387Q90.3Very high94.7Very high90 Ų9056.7 Ų56.742%0.42130%0.297SS..Hα-helixtrans-63.2-42.4174-65.1-64.5-24.900111.5T385 Q390 K391 E430T385-Q387 VanDerWaalsContact C-N 3.35Å; T385-Q387 PolarHBondContact O-N 2.8Å; Q387-Q390 PolarHBondContact O-N 3.04Å; Q387-K391 PolarHBondContact O-N 3.26Å; Q387-E430 PolarHBondContact NE2-OE1 3Å
388Q92.1Very high94.7Very high27 Ų2754.4 Ų54.413%0.12629%0.285CS..Hα-helixtrans-64.2-41.8173.5-68.2161.8-1.400111.6L351 V384 T385 Q390 K391 H392L351-Q388 HydrophobicContact CD1-CB 4.18Å; V384-Q388 HydrophobicContact CG1-CB 3.78Å; T385-Q388 PolarHBondContact O-N 3.31Å; T385-Q388 WeakPolarHBondContact OG1-CG 3.46Å; T385-Q388 PolarHBondContact OG1-N 2.92Å; Q388-Q390 PolarHBondContact O-N 3.03Å; Q388-K391 WeakPolarHBondContact O-CB 3.16Å; Q388-K391 PolarHBondContact O-N 3.19Å; Q388-H392 PolarHBondContact O-CD2 3.03Å; Q388-H392 PolarHBondContact O-N 3.36Å
389A91.8Very high94.7Very high0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-63.1-38.7175.300000112.6T385 M386 K391 H392 I396 F422 M425 F426T385-A389 WeakPolarHBondContact O-CB 3.5Å; T385-A389 PolarHBondContact O-N 3.32Å; M386-A389 PolarHBondContact O-N 2.85Å; A389-K391 VanDerWaalsContact C-N 3.32Å; A389-H392 PolarHBondContact O-N 3.47Å; A389-I396 HydrophobicContact CB-CD1 4.16Å; A389-I396 WeakPolarHBondContact O-CD1 3.32Å; A389-F422 HydrophobicContact CB-CD1 3.93Å; A389-F422 HydrophobicContact CB-CE1 4.4Å; A389-M425 HydrophobicContact CB-CE 4.39Å; A389-F426 HydrophobicContact CB-CE1 4.47Å; A389-F426 HydrophobicContact CB-CE2 4.3Å; A389-F426 HydrophobicContact CB-CZ 3.83Å
390Q92.4Very high94.7Very high91 Ų9157.8 Ų57.843%0.42530%0.299SS..Hα-helixtrans-62.5-37.9172.4-74.5175.729.700111.9M386 Q387 Q388 T393 F426M386-Q390 WeakPolarHBondContact O-CG 3.41Å; M386-Q390 PolarHBondContact O-N 2.9Å; Q387-Q390 PolarHBondContact O-N 3.04Å; Q388-Q390 PolarHBondContact O-N 3.03Å; Q390-T393 VanDerWaalsContact O-CG2 3.31Å; Q390-T393 WeakPolarHBondContact O-CG2 3.35Å; Q390-F426 HydrophobicContact CB-CE1 4.39Å; Q390-F426 HydrophobicContact CG-CD1 4.17Å; Q390-F426 HydrophobicContact CG-CE1 3.59Å
391K94.5Very high94.8Very high128 Ų12863.1 Ų63.156%0.55732%0.317SS*.Hα-helixtrans-70.2-41.7176.9-159175.4-176.9-168.50112.7D348 Q387 Q388 A389 T393D348-K391 VanDerWaalsContact OD1-CD 3.25Å; D348-K391 WeakPolarHBondContact OD1-CD 3.48Å; D348-K391 WeakPolarHBondContact OD1-CE 3.46Å; D348-K391 IonicContact OD1-NZ 2.72Å; D348-K391 PolarHBondContact OD1-NZ 3.24Å; Q387-K391 PolarHBondContact O-N 3.26Å; Q388-K391 WeakPolarHBondContact O-CB 3.16Å; Q388-K391 PolarHBondContact O-N 3.19Å; A389-K391 VanDerWaalsContact C-N 3.32Å; K391-T393 PolarHBondContact O-N 3.18Å
392H95.2Very high94.9Very high21 Ų2159.6 Ų59.610%0.09729%0.291CS..THydrogen-bonded Turntrans-95.942.4-177-58.4-67.3000114.1D348 L351 Q388 A389 E394 M395 I396D348-H392 IonicContact OD1-CE1 2.78Å; D348-H392 IonicContact OD1-NE2 2.64Å; D348-H392 IonicContact OD2-CE1 2.68Å; D348-H392 PolarHBondContact OD2-CE1 2.91Å; D348-H392 IonicContact OD2-NE2 3.07Å; L351-H392 VanDerWaalsContact CD1-CD2 3.42Å; L351-H392 WeakPolarHBondContact CD1-CD2 3.49Å; Q388-H392 PolarHBondContact O-CD2 3.03Å; Q388-H392 PolarHBondContact O-N 3.36Å; A389-H392 PolarHBondContact O-N 3.47Å; H392-E394 PolarHBondContact O-N 3.34Å; H392-M395 HydrophobicContact CB-CB 4.28Å; H392-M395 HydrophobicContact CB-CE 4.25Å; H392-M395 WeakPolarHBondContact O-CB 3.41Å; H392-M395 PolarHBondContact O-N 2.87Å; H392-I396 PolarHBondContact O-N 2.8Å
393T95.8Very high95Very high74 Ų7463 Ų6345%0.45430%0.303SS..Hα-helixtrans-61-25.3-179.443.40000114.6Q390 K391 I396 T397Q390-T393 VanDerWaalsContact O-CG2 3.31Å; Q390-T393 WeakPolarHBondContact O-CG2 3.35Å; K391-T393 PolarHBondContact O-N 3.18Å; T393-I396 PolarHBondContact O-N 2.72Å; T393-T397 WeakPolarHBondContact O-CB 3.21Å; T393-T397 PolarHBondContact O-N 2.71Å; T393-T397 PolarHBondContact O-OG1 3.49Å
394E96.4Very high95.2Very high133 Ų13364.5 Ų64.562%0.62130%0.301SS*.Hα-helixtrans-65.9-36.3172.3-64.5-153156.400113.2H355 H392 T397 T398H355-E394 VanDerWaalsContact CE1-CB 3.5Å; H355-E394 WeakPolarHBondContact CE1-CB 3.13Å; H355-E394 IonicContact CE1-OE2 3.33Å; H355-E394 PolarHBondContact NE2-O 2.94Å; H392-E394 PolarHBondContact O-N 3.34Å; E394-T397 CarbonylContact O-C 3.34Å; E394-T397 PolarHBondContact O-N 3.49Å; E394-T398 WeakPolarHBondContact O-CB 3.48Å; E394-T398 PolarHBondContact O-N 3.2Å; E394-T398 PolarHBondContact O-OG1 3.33Å
395M97.4Very high95.4Very high3 Ų365.9 Ų65.92%0.01531%0.306CS..Hα-helixtrans-63.5-47.8176.4-178.5-17368.100109.8L351 H355 L379 H392 T397 T398 L399 F422L351-M395 HydrophobicContact CB-SD 4.49Å; L351-M395 HydrophobicContact CD2-CE 4.24Å; L351-M395 HydrophobicContact CD2-SD 4.17Å; H355-M395 HydrophobicContact CB-CB 4.14Å; H355-M395 HydrophobicContact CB-CG 4.13Å; L379-M395 HydrophobicContact CD1-CE 3.92Å; L379-M395 HydrophobicContact CD1-SD 3.75Å; L379-M395 HydrophobicContact CD2-CE 4.16Å; L379-M395 HydrophobicContact CD2-CG 4.25Å; L379-M395 HydrophobicContact CD2-SD 3.71Å; L379-M395 HydrophobicContact CG-SD 4.42Å; H392-M395 HydrophobicContact CB-CB 4.28Å; H392-M395 HydrophobicContact CB-CE 4.25Å; H392-M395 WeakPolarHBondContact O-CB 3.41Å; H392-M395 PolarHBondContact O-N 2.87Å; M395-T397 VanDerWaalsContact C-N 3.3Å; M395-T397 PolarHBondContact O-N 2.69Å; M395-T398 CarbonylContact O-C 3.58Å; M395-T398 WeakPolarHBondContact O-CA 3.47Å; M395-T398 WeakPolarHBondContact O-CB 3.33Å; M395-T398 PolarHBondContact O-N 3.48Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 3.42Å; M395-F422 HydrophobicContact CE-CE2 4.14Å; M395-F422 HydrophobicContact CE-CZ 3.9Å
396I97Very high95.6Very high16 Ų1672 Ų728%0.08233%0.327CS..Hα-helixtrans-62.6-37.1175.8-65.2149.1000111.6A389 H392 T393 T398 K400 Y419 F422 F426A389-I396 HydrophobicContact CB-CD1 4.16Å; A389-I396 WeakPolarHBondContact O-CD1 3.32Å; H392-I396 PolarHBondContact O-N 2.8Å; T393-I396 PolarHBondContact O-N 2.72Å; I396-T398 VanDerWaalsContact C-N 3.27Å; I396-T398 PolarHBondContact O-N 3.08Å; I396-K400 WeakPolarHBondContact O-CB 3.41Å; I396-K400 PolarHBondContact O-N 3.28Å; I396-Y419 HydrophobicContact CG2-CD2 3.98Å; I396-Y419 HydrophobicContact CG2-CE2 3.84Å; I396-F422 HydrophobicContact CD1-CB 4.31Å; I396-F422 HydrophobicContact CD1-CG 4.34Å; I396-F422 HydrophobicContact CG1-CB 4.05Å; I396-F422 HydrophobicContact CG1-CD2 4Å; I396-F422 HydrophobicContact CG1-CG 3.95Å; I396-F426 HydrophobicContact CD1-CE2 3.72Å; I396-F426 HydrophobicContact CD1-CZ 3.68Å
397T97.8Very high95.8Very high71 Ų7175.4 Ų75.444%0.43635%0.349SS..Hα-helixtrans-67.5-29.2173.4-59.20000112.1T393 E394 M395 K401T393-T397 WeakPolarHBondContact O-CB 3.21Å; T393-T397 PolarHBondContact O-N 2.71Å; T393-T397 PolarHBondContact O-OG1 3.49Å; E394-T397 CarbonylContact O-C 3.34Å; E394-T397 PolarHBondContact O-N 3.49Å; M395-T397 VanDerWaalsContact C-N 3.3Å; M395-T397 PolarHBondContact O-N 2.69Å; T397-K401 WeakPolarHBondContact O-CG 3.31Å; T397-K401 PolarHBondContact O-N 3.21Å
398T98Very high96.1Very high19 Ų1971.8 Ų71.812%0.11733%0.334CS..Hα-helixtrans-75.9-46.2175.8-56.50000110.8H355 I358 K359 E394 M395 I396 K400 K401 I402H355-T398 PolarHBondContact NE2-OG1 3.26Å; I358-T398 HydrophobicContact CG2-CG2 4.19Å; K359-T398 HydrophobicContact CG-CG2 4.23Å; E394-T398 WeakPolarHBondContact O-CB 3.48Å; E394-T398 PolarHBondContact O-N 3.2Å; E394-T398 PolarHBondContact O-OG1 3.33Å; M395-T398 CarbonylContact O-C 3.58Å; M395-T398 WeakPolarHBondContact O-CA 3.47Å; M395-T398 WeakPolarHBondContact O-CB 3.33Å; M395-T398 PolarHBondContact O-N 3.48Å; I396-T398 VanDerWaalsContact C-N 3.27Å; I396-T398 PolarHBondContact O-N 3.08Å; T398-K400 VanDerWaalsContact C-N 3.27Å; T398-K400 PolarHBondContact O-N 3.09Å; T398-K401 WeakPolarHBondContact O-CB 3.43Å; T398-K401 PolarHBondContact O-N 2.96Å; T398-I402 PolarHBondContact O-N 3.48Å; T398-I402 VanDerWaalsContact O-N 3.08Å
399L98Very high96.4Very high1 Ų175.5 Ų75.51%0.00535%0.351CS..Hα-helixtrans-49.1-49.9167.7-66.6175.8000110.7L376 L379 M395 K401 I402 R403 L418 F422L376-L399 HydrophobicContact CD2-CD2 3.43Å; L376-L399 VanDerWaalsContact CD2-CD2 3.43Å; L379-L399 HydrophobicContact CD2-CD1 4.12Å; L379-L399 HydrophobicContact CD2-CD2 4.33Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 3.42Å; L399-K401 PolarHBondContact O-N 3.3Å; L399-K401 VanDerWaalsContact O-N 3.15Å; L399-I402 HydrophobicContact CD2-CD1 4.3Å; L399-I402 WeakPolarHBondContact O-CG1 3.34Å; L399-I402 PolarHBondContact O-N 2.98Å; L399-I402 VanDerWaalsContact O-N 3.14Å; L399-R403 WeakPolarHBondContact O-CG 3.45Å; L399-R403 PolarHBondContact O-N 3.28Å; L399-L418 HydrophobicContact CD1-CB 3.93Å; L399-L418 HydrophobicContact CD2-CB 4.36Å; L399-L418 HydrophobicContact CD2-CD1 4.31Å; L399-F422 HydrophobicContact CD1-CD2 3.75Å; L399-F422 HydrophobicContact CD1-CE2 3.73Å
400K98.1Very high96.7Very high118 Ų11878.6 Ų78.651%0.51337%0.37SS..Hα-helixtrans-58.3-27.8178.2-166.7175.5-175.6164.80114.5I396 T398 Y419I396-K400 WeakPolarHBondContact O-CB 3.41Å; I396-K400 PolarHBondContact O-N 3.28Å; T398-K400 VanDerWaalsContact C-N 3.27Å; T398-K400 PolarHBondContact O-N 3.09Å; K400-Y419 HydrophobicContact CB-CD2 3.88Å; K400-Y419 HydrophobicContact CB-CE2 3.68Å; K400-Y419 HydrophobicContact CD-CE2 3.84Å; K400-Y419 HydrophobicContact CG-CD2 4.39Å; K400-Y419 HydrophobicContact CG-CE2 3.88Å; K400-Y419 PolarHBondContact NZ-OH 2.87Å
401K97.8Very high97Very high144 Ų14474.2 Ų74.263%0.62635%0.35SS*.Hα-helixtrans-77.4-48.1174.2-68.9168.1-176.3174.70111.1T397 T398 L399 R403 R404T397-K401 WeakPolarHBondContact O-CG 3.31Å; T397-K401 PolarHBondContact O-N 3.21Å; T398-K401 WeakPolarHBondContact O-CB 3.43Å; T398-K401 PolarHBondContact O-N 2.96Å; L399-K401 PolarHBondContact O-N 3.3Å; L399-K401 VanDerWaalsContact O-N 3.15Å; K401-R403 PolarHBondContact O-N 2.95Å; K401-R404 PolarHBondContact O-N 3.13Å; K401-R404 VanDerWaalsContact O-N 3.08Å
402I97.3Very high97.1Very high16 Ų1670.4 Ų70.48%0.08233%0.334CS..Hα-helixtrans-75-12.4-173.567.7167.9000113.1I358 L362 L376 T398 L399 R404 F405 I411I358-I402 HydrophobicContact CG2-CD1 3.91Å; L362-I402 HydrophobicContact CD1-CB 4.1Å; L362-I402 HydrophobicContact CD1-CD1 4.28Å; L362-I402 HydrophobicContact CD1-CG2 3.42Å; L362-I402 VanDerWaalsContact CD1-CG2 3.42Å; L376-I402 HydrophobicContact CD1-CD1 4.25Å; L376-I402 HydrophobicContact CD2-CD1 4.1Å; T398-I402 PolarHBondContact O-N 3.48Å; T398-I402 VanDerWaalsContact O-N 3.08Å; L399-I402 HydrophobicContact CD2-CD1 4.3Å; L399-I402 WeakPolarHBondContact O-CG1 3.34Å; L399-I402 PolarHBondContact O-N 2.98Å; L399-I402 VanDerWaalsContact O-N 3.14Å; I402-R404 PolarHBondContact O-N 3.36Å; I402-F405 HydrophobicContact CB-CB 4.41Å; I402-F405 WeakPolarHBondContact O-CB 3.42Å; I402-F405 PolarHBondContact O-N 3.17Å; I402-I411 HydrophobicContact CB-CG2 4.39Å; I402-I411 HydrophobicContact CD1-CG2 4.15Å
403R97.8Very high97.3Very high83 Ų8374.5 Ų74.531%0.31335%0.354SS..THydrogen-bonded Turntrans-57.6-0.3158.9-74.1-171.170.6-162.8-3.9115.6L399 K401 M412 S415 T416 Y419L399-R403 WeakPolarHBondContact O-CG 3.45Å; L399-R403 PolarHBondContact O-N 3.28Å; K401-R403 PolarHBondContact O-N 2.95Å; R403-M412 WeakPolarHBondContact O-CG 3.34Å; R403-S415 WeakPolarHBondContact CG-OG 3.28Å; R403-S415 PolarHBondContact N-OG 3.45Å; R403-T416 WeakPolarHBondContact CG-OG1 3.5Å; R403-T416 PolarHBondContact NE-OG1 3.11Å; R403-Y419 VanDerWaalsContact NH1-CD1 3.26Å
404R96.4Very high97.4Very high211 Ų21173.4 Ų73.480%0.79634%0.343SS*.THydrogen-bonded Turntrans-122.912.8171.9-62.8179.5174.3171.3-4.4112.4K401 I402 K406K401-R404 PolarHBondContact O-N 3.13Å; K401-R404 VanDerWaalsContact O-N 3.08Å; I402-R404 PolarHBondContact O-N 3.36Å; R404-K406 PolarHBondContact O-N 3.46Å
405F97Very high97.5Very high40 Ų4067.1 Ų67.118%0.17531%0.313CS..  trans-75.5107.4-179.1-171.7-106.8000109.9L362 L367 I402 V407 I411 M412L362-F405 HydrophobicContact CD2-CE1 4.12Å; L362-F405 HydrophobicContact CD2-CE2 4.09Å; L362-F405 HydrophobicContact CD2-CZ 3.85Å; L367-F405 HydrophobicContact CD1-CE1 4.49Å; L367-F405 HydrophobicContact CD1-CE2 4.31Å; L367-F405 HydrophobicContact CD1-CZ 3.63Å; L367-F405 HydrophobicContact CD2-CZ 3.99Å; L367-F405 HydrophobicContact CG-CZ 4.47Å; I402-F405 HydrophobicContact CB-CB 4.41Å; I402-F405 WeakPolarHBondContact O-CB 3.42Å; I402-F405 PolarHBondContact O-N 3.17Å; F405-V407 HydrophobicContact CD1-CB 4.44Å; F405-V407 HydrophobicContact CE1-CB 3.66Å; F405-V407 HydrophobicContact CE1-CG2 4.26Å; F405-V407 HydrophobicContact CE2-CB 4.38Å; F405-V407 HydrophobicContact CE2-CG2 4.09Å; F405-V407 HydrophobicContact CZ-CB 3.61Å; F405-V407 HydrophobicContact CZ-CG2 3.79Å; F405-I411 HydrophobicContact CB-CG2 4.34Å; F405-I411 HydrophobicContact CD1-CB 4.14Å; F405-I411 HydrophobicContact CD1-CD1 4.18Å; F405-I411 HydrophobicContact CD1-CG2 3.96Å; F405-I411 HydrophobicContact CE1-CD1 4.03Å; F405-I411 HydrophobicContact CG-CG2 4.42Å; F405-M412 WeakPolarHBondContact O-CE 3.46Å
406K95.9Very high97.5Very high193 Ų19368.7 Ų68.784%0.83932%0.323SS*.  trans-81.1-16.3-173.5-69.7-167.4173.2-166.50115R404 S408R404-K406 PolarHBondContact O-N 3.46Å; K406-S408 VanDerWaalsContact C-N 3.34Å
407V95.2Very high97.5Very high105 Ų10572.4 Ų72.464%0.63634%0.341SS*.SBendtrans-78.8-20.6-173.3-163.50000112.1L367 F405L367-V407 HydrophobicContact CD2-CB 4.46Å; L367-V407 HydrophobicContact CD2-CG1 4.12Å; F405-V407 HydrophobicContact CD1-CB 4.44Å; F405-V407 HydrophobicContact CE1-CB 3.66Å; F405-V407 HydrophobicContact CE1-CG2 4.26Å; F405-V407 HydrophobicContact CE2-CB 4.38Å; F405-V407 HydrophobicContact CE2-CG2 4.09Å; F405-V407 HydrophobicContact CZ-CB 3.61Å; F405-V407 HydrophobicContact CZ-CG2 3.79Å
408S97.5Very high97.5Very high14 Ų1469 Ų6910%0.09832%0.32CS..  trans-141.9114.5172.4174.80000110.7K406 V410 I411 M412K406-S408 VanDerWaalsContact C-N 3.34Å; S408-V410 VanDerWaalsContact C-N 3.29Å; S408-V410 PolarHBondContact O-N 3.11Å; S408-I411 PolarHBondContact O-N 3.05Å; S408-I411 PolarHBondContact OG-N 2.77Å; S408-M412 PolarHBondContact O-N 3.41Å
409Q97.9Very high97.5Very high104 Ų10470 Ų7049%0.48632%0.322SS..Hα-helixtrans-61.5-38.6175.3-176.663.712.100111.4I411 M412 E413Q409-I411 VanDerWaalsContact C-N 3.3Å; Q409-I411 PolarHBondContact O-N 2.71Å; Q409-M412 WeakPolarHBondContact O-CA 3.47Å; Q409-M412 VanDerWaalsContact O-CB 3.31Å; Q409-M412 WeakPolarHBondContact O-CB 3.43Å; Q409-M412 PolarHBondContact O-N 2.77Å; Q409-E413 HydrophobicContact CG-CG 4.45Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.19Å; Q409-E413 PolarHBondContact NE2-OE1 3.22Å; Q409-E413 PolarHBondContact O-N 3.32Å
410V97.7Very high97.4Very high65 Ų6572.8 Ų72.839%0.39434%0.337SS..Hα-helixtrans-58.6-41.3177.4-175.80000111.3I373 S408 E413 K414I373-V410 HydrophobicContact CD1-CB 4.05Å; I373-V410 HydrophobicContact CD1-CG1 3.9Å; I373-V410 HydrophobicContact CG1-CG1 4.14Å; I373-V410 HydrophobicContact CG2-CG1 4.36Å; S408-V410 VanDerWaalsContact C-N 3.29Å; S408-V410 PolarHBondContact O-N 3.11Å; V410-E413 PolarHBondContact O-N 2.95Å; V410-K414 HydrophobicContact CG1-CD 3.94Å; V410-K414 HydrophobicContact CG1-CG 4.32Å; V410-K414 WeakPolarHBondContact O-CB 3.48Å; V410-K414 WeakPolarHBondContact O-CG 3.35Å; V410-K414 PolarHBondContact O-N 2.83Å
411I98.1Very high97.2Very high0 Ų070.5 Ų70.50%033%0.327CS..Hα-helixtrans-65.6-40.6174.3-68.2178.2000110.9L362 V369 C372 I373 L376 I402 F405 S408 Q409 E413 S415L362-I411 HydrophobicContact CD2-CD1 4.16Å; V369-I411 HydrophobicContact CB-CD1 4.48Å; V369-I411 HydrophobicContact CG1-CD1 3.99Å; C372-I411 HydrophobicContact CB-CD1 3.73Å; I373-I411 HydrophobicContact CD1-CG1 4.32Å; I373-I411 HydrophobicContact CG1-CD1 4.3Å; I373-I411 HydrophobicContact CG1-CG1 3.65Å; L376-I411 HydrophobicContact CD1-CG1 4.44Å; L376-I411 HydrophobicContact CD1-CG2 4.16Å; I402-I411 HydrophobicContact CB-CG2 4.39Å; I402-I411 HydrophobicContact CD1-CG2 4.15Å; F405-I411 HydrophobicContact CB-CG2 4.34Å; F405-I411 HydrophobicContact CD1-CB 4.14Å; F405-I411 HydrophobicContact CD1-CD1 4.18Å; F405-I411 HydrophobicContact CD1-CG2 3.96Å; F405-I411 HydrophobicContact CE1-CD1 4.03Å; F405-I411 HydrophobicContact CG-CG2 4.42Å; S408-I411 PolarHBondContact O-N 3.05Å; S408-I411 PolarHBondContact OG-N 2.77Å; Q409-I411 VanDerWaalsContact C-N 3.3Å; Q409-I411 PolarHBondContact O-N 2.71Å; I411-E413 VanDerWaalsContact C-N 3.34Å; I411-E413 PolarHBondContact O-N 3.27Å; I411-S415 WeakPolarHBondContact O-CB 3.39Å; I411-S415 PolarHBondContact O-N 2.8Å; I411-S415 PolarHBondContact O-OG 3.42Å
412M98Very high97.1Very high47 Ų4763.6 Ų63.623%0.23230%0.297CS..Hα-helixtrans-63.1-39.9178.5-158.2-167.5-49.200112.3R403 F405 S408 Q409 S415 T416R403-M412 WeakPolarHBondContact O-CG 3.34Å; F405-M412 WeakPolarHBondContact O-CE 3.46Å; S408-M412 PolarHBondContact O-N 3.41Å; Q409-M412 WeakPolarHBondContact O-CA 3.47Å; Q409-M412 VanDerWaalsContact O-CB 3.31Å; Q409-M412 WeakPolarHBondContact O-CB 3.43Å; Q409-M412 PolarHBondContact O-N 2.77Å; M412-S415 PolarHBondContact O-OG 3Å; M412-T416 VanDerWaalsContact O-CB 3.25Å; M412-T416 WeakPolarHBondContact O-CB 3.27Å; M412-T416 PolarHBondContact O-N 2.93Å; M412-T416 VanDerWaalsContact O-N 3.08Å; M412-T416 PolarHBondContact O-OG1 2.97Å
413E98Very high96.9Very high108 Ų10867.5 Ų67.551%0.50531%0.314SS..Hα-helixtrans-76.7-51.4-179-72.5171-17700112Q409 V410 I411 S415 T416 M417Q409-E413 HydrophobicContact CG-CG 4.45Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.19Å; Q409-E413 PolarHBondContact NE2-OE1 3.22Å; Q409-E413 PolarHBondContact O-N 3.32Å; V410-E413 PolarHBondContact O-N 2.95Å; I411-E413 VanDerWaalsContact C-N 3.34Å; I411-E413 PolarHBondContact O-N 3.27Å; E413-S415 VanDerWaalsContact C-N 3.33Å; E413-S415 PolarHBondContact O-N 3.11Å; E413-T416 CarbonylContact O-C 3.52Å; E413-T416 WeakPolarHBondContact O-CA 3.32Å; E413-T416 WeakPolarHBondContact O-CB 3.49Å; E413-T416 PolarHBondContact O-N 3.48Å; E413-M417 PolarHBondContact O-N 2.96Å
414K97.9Very high96.5Very high51 Ų5167.6 Ų67.622%0.22232%0.32CS..Hα-helixtrans-59.2-43.1176.9-69.9-174.3178.8-166.50111.6I373 L376 D377 V410 T416 M417 L418I373-K414 HydrophobicContact CG2-CD 4.13Å; L376-K414 HydrophobicContact CB-CB 4.34Å; L376-K414 HydrophobicContact CD1-CB 4.3Å; D377-K414 WeakPolarHBondContact OD1-CD 3.45Å; D377-K414 WeakPolarHBondContact OD1-CE 3.41Å; D377-K414 IonicContact OD1-NZ 2.83Å; D377-K414 PolarHBondContact OD1-NZ 3.27Å; D377-K414 IonicContact OD2-NZ 2.75Å; D377-K414 PolarHBondContact OD2-NZ 3.07Å; V410-K414 HydrophobicContact CG1-CD 3.94Å; V410-K414 HydrophobicContact CG1-CG 4.32Å; V410-K414 WeakPolarHBondContact O-CB 3.48Å; V410-K414 WeakPolarHBondContact O-CG 3.35Å; V410-K414 PolarHBondContact O-N 2.83Å; K414-T416 VanDerWaalsContact C-N 3.3Å; K414-T416 PolarHBondContact O-N 2.71Å; K414-M417 PolarHBondContact O-N 3.14Å; K414-L418 WeakPolarHBondContact O-CB 3.35Å; K414-L418 VanDerWaalsContact O-CG 3.3Å; K414-L418 WeakPolarHBondContact O-CG 3.42Å; K414-L418 PolarHBondContact O-N 2.88Å
415S98.3Very high96Very high0 Ų059.5 Ų59.50%029%0.292CS..Hα-helixtrans-69.3-25.2174.467.80000113.8R403 I411 M412 E413 Y419R403-S415 WeakPolarHBondContact CG-OG 3.28Å; R403-S415 PolarHBondContact N-OG 3.45Å; I411-S415 WeakPolarHBondContact O-CB 3.39Å; I411-S415 PolarHBondContact O-N 2.8Å; I411-S415 PolarHBondContact O-OG 3.42Å; M412-S415 PolarHBondContact O-OG 3Å; E413-S415 VanDerWaalsContact C-N 3.33Å; E413-S415 PolarHBondContact O-N 3.11Å; S415-Y419 WeakPolarHBondContact O-CB 3.48Å; S415-Y419 PolarHBondContact O-N 3.4Å
416T98.1Very high95.5Very high36 Ų3661.5 Ų61.522%0.22130%0.301CS..Hα-helixtrans-70.5-48171.2-69.80000111.5R403 M412 E413 K414 Y419 N420R403-T416 WeakPolarHBondContact CG-OG1 3.5Å; R403-T416 PolarHBondContact NE-OG1 3.11Å; M412-T416 VanDerWaalsContact O-CB 3.25Å; M412-T416 WeakPolarHBondContact O-CB 3.27Å; M412-T416 PolarHBondContact O-N 2.93Å; M412-T416 VanDerWaalsContact O-N 3.08Å; M412-T416 PolarHBondContact O-OG1 2.97Å; E413-T416 CarbonylContact O-C 3.52Å; E413-T416 WeakPolarHBondContact O-CA 3.32Å; E413-T416 WeakPolarHBondContact O-CB 3.49Å; E413-T416 PolarHBondContact O-N 3.48Å; K414-T416 VanDerWaalsContact C-N 3.3Å; K414-T416 PolarHBondContact O-N 2.71Å; T416-Y419 PolarHBondContact O-N 2.79Å; T416-N420 WeakPolarHBondContact O-CB 3.44Å; T416-N420 PolarHBondContact O-N 3Å; T416-N420 PolarHBondContact O-ND2 3.37Å
417M97.7Very high94.9Very high95 Ų9558 Ų5847%0.46829%0.291SS..Hα-helixtrans-58.5-49.2175.9176-90-76.400111.1A380 E413 K414 N420 K421A380-M417 HydrophobicContact CB-CE 4.31Å; E413-M417 PolarHBondContact O-N 2.96Å; K414-M417 PolarHBondContact O-N 3.14Å; M417-N420 PolarHBondContact O-N 3.47Å; M417-K421 PolarHBondContact O-N 3.26Å
418L97.7Very high93.8Very high0 Ų057.3 Ų57.30%029%0.286CS..Hα-helixtrans-64.2-44177.6-70.8166.4000113L376 L379 A380 L399 K414 N420 K421 F422L376-L418 HydrophobicContact CB-CD1 3.99Å; L376-L418 HydrophobicContact CD2-CD1 3.62Å; L376-L418 HydrophobicContact CG-CD1 4.41Å; L376-L418 WeakPolarHBondContact O-CD1 3.38Å; L379-L418 HydrophobicContact CB-CD1 4.35Å; L379-L418 HydrophobicContact CD2-CD1 4.38Å; L379-L418 HydrophobicContact CG-CD2 4.34Å; A380-L418 HydrophobicContact CB-CD2 3.98Å; L399-L418 HydrophobicContact CD1-CB 3.93Å; L399-L418 HydrophobicContact CD2-CB 4.36Å; L399-L418 HydrophobicContact CD2-CD1 4.31Å; K414-L418 WeakPolarHBondContact O-CB 3.35Å; K414-L418 VanDerWaalsContact O-CG 3.3Å; K414-L418 WeakPolarHBondContact O-CG 3.42Å; K414-L418 PolarHBondContact O-N 2.88Å; L418-N420 PolarHBondContact O-N 3.32Å; L418-K421 HydrophobicContact CD2-CD 4.39Å; L418-K421 WeakPolarHBondContact O-CB 3.43Å; L418-K421 PolarHBondContact O-N 3.03Å; L418-F422 WeakPolarHBondContact O-CD2 3.18Å; L418-F422 PolarHBondContact O-N 2.85Å
419Y97.6Very high92Very high38 Ų3857.8 Ų57.815%0.14929%0.294CS..Hα-helixtrans-60-37.7175.4-178.4-99.4000111.6I396 K400 R403 S415 T416 K423I396-Y419 HydrophobicContact CG2-CD2 3.98Å; I396-Y419 HydrophobicContact CG2-CE2 3.84Å; K400-Y419 HydrophobicContact CB-CD2 3.88Å; K400-Y419 HydrophobicContact CB-CE2 3.68Å; K400-Y419 HydrophobicContact CD-CE2 3.84Å; K400-Y419 HydrophobicContact CG-CD2 4.39Å; K400-Y419 HydrophobicContact CG-CE2 3.88Å; K400-Y419 PolarHBondContact NZ-OH 2.87Å; R403-Y419 VanDerWaalsContact NH1-CD1 3.26Å; S415-Y419 WeakPolarHBondContact O-CB 3.48Å; S415-Y419 PolarHBondContact O-N 3.4Å; T416-Y419 PolarHBondContact O-N 2.79Å; Y419-K423 HydrophobicContact CE1-CB 4.5Å; Y419-K423 WeakPolarHBondContact O-CB 3.48Å; Y419-K423 PolarHBondContact O-N 2.72Å
420N95.7Very high89.9Confident60 Ų6057.6 Ų57.632%0.32129%0.293SS..Hα-helixtrans-71.6-40.7176.7-69.3-12.5000112.1T416 M417 L418 F422 K423 N424T416-N420 WeakPolarHBondContact O-CB 3.44Å; T416-N420 PolarHBondContact O-N 3Å; T416-N420 PolarHBondContact O-ND2 3.37Å; M417-N420 PolarHBondContact O-N 3.47Å; L418-N420 PolarHBondContact O-N 3.32Å; N420-F422 PolarHBondContact O-N 2.64Å; N420-K423 PolarHBondContact O-N 3.2Å; N420-N424 WeakPolarHBondContact O-CB 3.42Å; N420-N424 VanDerWaalsContact O-CG 3.24Å; N420-N424 PolarHBondContact O-N 3.01Å; N420-N424 PolarHBondContact O-OD1 3.47Å
421K94Very high87.6Confident70 Ų7056.5 Ų56.530%0.30430%0.295SS..Hα-helixtrans-49.8-56170.5-179.3-177176.4-172.60110A380 L382 M417 L418 N424 M425A380-K421 PolarHBondContact O-NZ 3.07Å; L382-K421 PolarHBondContact O-NZ 3.33Å; M417-K421 PolarHBondContact O-N 3.26Å; L418-K421 HydrophobicContact CD2-CD 4.39Å; L418-K421 WeakPolarHBondContact O-CB 3.43Å; L418-K421 PolarHBondContact O-N 3.03Å; K421-N424 PolarHBondContact O-N 2.82Å; K421-M425 WeakPolarHBondContact O-CG 3.49Å; K421-M425 PolarHBondContact O-N 2.94Å
422F94.8Very high85.6Confident0 Ų060.7 Ų60.70%032%0.317CS..Hα-helixtrans-65-47.7178.2-66-59.3000113.1L379 V384 A389 M395 I396 L399 L418 N420 N424 M425 F426L379-F422 HydrophobicContact CD1-CZ 4.09Å; L379-F422 HydrophobicContact CD2-CE2 4.19Å; L379-F422 HydrophobicContact CG-CE2 4.3Å; L379-F422 HydrophobicContact CG-CZ 4.27Å; V384-F422 HydrophobicContact CB-CE1 3.88Å; V384-F422 HydrophobicContact CB-CZ 4.41Å; V384-F422 HydrophobicContact CG1-CE1 3.84Å; V384-F422 HydrophobicContact CG2-CE1 4.23Å; V384-F422 HydrophobicContact CG2-CZ 4.26Å; A389-F422 HydrophobicContact CB-CD1 3.93Å; A389-F422 HydrophobicContact CB-CE1 4.4Å; M395-F422 HydrophobicContact CE-CE2 4.14Å; M395-F422 HydrophobicContact CE-CZ 3.9Å; I396-F422 HydrophobicContact CD1-CB 4.31Å; I396-F422 HydrophobicContact CD1-CG 4.34Å; I396-F422 HydrophobicContact CG1-CB 4.05Å; I396-F422 HydrophobicContact CG1-CD2 4Å; I396-F422 HydrophobicContact CG1-CG 3.95Å; L399-F422 HydrophobicContact CD1-CD2 3.75Å; L399-F422 HydrophobicContact CD1-CE2 3.73Å; L418-F422 WeakPolarHBondContact O-CD2 3.18Å; L418-F422 PolarHBondContact O-N 2.85Å; N420-F422 PolarHBondContact O-N 2.64Å; F422-N424 VanDerWaalsContact C-N 3.25Å; F422-N424 PolarHBondContact O-N 3.2Å; F422-M425 HydrophobicContact CD1-SD 3.91Å; F422-M425 HydrophobicContact CE1-SD 4.47Å; F422-M425 WeakPolarHBondContact O-CB 3.35Å; F422-M425 PolarHBondContact O-N 2.64Å; F422-M425 VanDerWaalsContact O-N 3.12Å; F422-F426 HydrophobicContact CB-CE2 4.25Å; F422-F426 WeakPolarHBondContact O-CD2 3.33Å; F422-F426 PolarHBondContact O-N 3.13Å
423K93.1Very high83.7Confident98 Ų9861.7 Ų61.743%0.42633%0.329SS..Hα-helixtrans-54-42178.7-178.2-147.5173.3-143.30111.8Y419 N420 F426 L427Y419-K423 HydrophobicContact CE1-CB 4.5Å; Y419-K423 WeakPolarHBondContact O-CB 3.48Å; Y419-K423 PolarHBondContact O-N 2.72Å; N420-K423 PolarHBondContact O-N 3.2Å; K423-F426 PolarHBondContact O-N 3.43Å; K423-L427 HydrophobicContact CD-CD1 4.29Å; K423-L427 HydrophobicContact CG-CD1 4.09Å; K423-L427 WeakPolarHBondContact O-CG 3.44Å; K423-L427 PolarHBondContact O-N 2.99Å
424N90.2Very high81.8Confident85 Ų8560.5 Ų60.546%0.45533%0.329SS..Hα-helixtrans-69.6-38.2-179.6-70.44.3000111.6N420 K421 F422 F426 L427 V428N420-N424 WeakPolarHBondContact O-CB 3.42Å; N420-N424 VanDerWaalsContact O-CG 3.24Å; N420-N424 PolarHBondContact O-N 3.01Å; N420-N424 PolarHBondContact O-OD1 3.47Å; K421-N424 PolarHBondContact O-N 2.82Å; F422-N424 VanDerWaalsContact C-N 3.25Å; F422-N424 PolarHBondContact O-N 3.2Å; N424-F426 PolarHBondContact O-N 3.29Å; N424-L427 PolarHBondContact O-N 3.26Å; N424-V428 WeakPolarHBondContact O-CG2 3.48Å; N424-V428 PolarHBondContact O-N 3.27Å
425M86.4Confident80.1Confident41 Ų4162 Ų6220%0.20234%0.338CS..Hα-helixtrans-55-50.3172.8-63.8159.668.300111.3V384 T385 M386 A389 K421 F422 L427 V428 G429V384-M425 WeakPolarHBondContact O-CE 3.37Å; T385-M425 VanDerWaalsContact C-CE 3.47Å; M386-M425 HydrophobicContact CB-CE 4.33Å; M386-M425 VanDerWaalsContact CE-O 3.25Å; M386-M425 WeakPolarHBondContact CE-O 3.48Å; A389-M425 HydrophobicContact CB-CE 4.39Å; K421-M425 WeakPolarHBondContact O-CG 3.49Å; K421-M425 PolarHBondContact O-N 2.94Å; F422-M425 HydrophobicContact CD1-SD 3.91Å; F422-M425 HydrophobicContact CE1-SD 4.47Å; F422-M425 WeakPolarHBondContact O-CB 3.35Å; F422-M425 PolarHBondContact O-N 2.64Å; F422-M425 VanDerWaalsContact O-N 3.12Å; M425-L427 PolarHBondContact O-N 3.41Å; M425-V428 PolarHBondContact O-N 2.81Å; M425-G429 PolarHBondContact O-N 3.24Å; M425-G429 VanDerWaalsContact O-N 3.14Å
426F86.3Confident78.6Confident81 Ų8165 Ų6536%0.35536%0.357SS..Hα-helixtrans-63-24.2177.2-63.4-76.6000114.4A389 Q390 I396 F422 K423 N424A389-F426 HydrophobicContact CB-CE1 4.47Å; A389-F426 HydrophobicContact CB-CE2 4.3Å; A389-F426 HydrophobicContact CB-CZ 3.83Å; Q390-F426 HydrophobicContact CB-CE1 4.39Å; Q390-F426 HydrophobicContact CG-CD1 4.17Å; Q390-F426 HydrophobicContact CG-CE1 3.59Å; I396-F426 HydrophobicContact CD1-CE2 3.72Å; I396-F426 HydrophobicContact CD1-CZ 3.68Å; F422-F426 HydrophobicContact CB-CE2 4.25Å; F422-F426 WeakPolarHBondContact O-CD2 3.33Å; F422-F426 PolarHBondContact O-N 3.13Å; K423-F426 PolarHBondContact O-N 3.43Å; N424-F426 PolarHBondContact O-N 3.29Å
427L82.1Confident77.1Confident120 Ų12069.8 Ų69.863%0.62838%0.377SS*.Hα-helixtrans-85.1-37.2-179.3-78.6167.5000112.8K423 N424 M425K423-L427 HydrophobicContact CD-CD1 4.29Å; K423-L427 HydrophobicContact CG-CD1 4.09Å; K423-L427 WeakPolarHBondContact O-CG 3.44Å; K423-L427 PolarHBondContact O-N 2.99Å; N424-L427 PolarHBondContact O-N 3.26Å; M425-L427 PolarHBondContact O-N 3.41Å
428V72.7Confident75.8Confident90 Ų9069.8 Ų69.855%0.54538%0.382SS..Hα-helixtrans-74.8-39.5178.7174.90000110.9N424 M425 D432N424-V428 WeakPolarHBondContact O-CG2 3.48Å; N424-V428 PolarHBondContact O-N 3.27Å; M425-V428 PolarHBondContact O-N 2.81Å; V428-D432 HydrophobicContact CG1-CB 3.56Å
429G59Low74.5Confident25 Ų2574.7 Ų74.726%0.25841%0.407SS..  trans72170.1179.100000113.6M386 M425 G431M386-G429 VanDerWaalsContact CE-CA 3.48Å; M425-G429 PolarHBondContact O-N 3.24Å; M425-G429 VanDerWaalsContact O-N 3.14Å; G429-G431 PolarHBondContact O-N 3.32Å; G429-G431 VanDerWaalsContact O-N 3.14Å
430E54.3Low73.4Confident100 Ų10077.7 Ų77.747%0.46743%0.426SS..Hα-helixtrans-70.8-8.4-176.5-62.2179.314000113.3M386 Q387 D432 S433 V434M386-E430 HydrophobicContact CE-CG 3.93Å; Q387-E430 PolarHBondContact NE2-OE1 3Å; E430-D432 VanDerWaalsContact C-N 3.29Å; E430-D432 PolarHBondContact O-N 3.2Å; E430-S433 PolarHBondContact O-N 3.42Å; E430-V434 WeakPolarHBondContact O-CG2 3.43Å; E430-V434 PolarHBondContact O-N 3.5Å
431G50.5Low72.7Confident42 Ų4281.2 Ų81.243%0.43344%0.438SS..Hα-helixtrans-56.9-39.7177.800000113.2G429 V434 I435G429-G431 PolarHBondContact O-N 3.32Å; G429-G431 VanDerWaalsContact O-N 3.14Å; G431-V434 PolarHBondContact O-N 3.34Å; G431-I435 WeakPolarHBondContact O-CB 3.32Å; G431-I435 WeakPolarHBondContact O-CD1 3.43Å; G431-I435 WeakPolarHBondContact O-CG1 3.26Å; G431-I435 PolarHBondContact O-N 2.93Å
432D55.6Low71.9Confident87 Ų8780.8 Ų80.847%0.46544%0.444SS..Hα-helixtrans-72.1-36.2-179.3-171.739.4000112.7V428 E430 I435 T436V428-D432 HydrophobicContact CG1-CB 3.56Å; E430-D432 VanDerWaalsContact C-N 3.29Å; E430-D432 PolarHBondContact O-N 3.2Å; D432-I435 PolarHBondContact O-N 2.65Å; D432-T436 VanDerWaalsContact O-CB 3.29Å; D432-T436 WeakPolarHBondContact O-CB 3.03Å; D432-T436 PolarHBondContact O-N 3.18Å; D432-T436 PolarHBondContact O-OG1 3.07Å
433S56.8Low71.1Confident69 Ų6985.6 Ų85.648%0.48347%0.47SS..Hα-helixtrans-66-40172.1-174.40000111.8E430 T436 Q437E430-S433 PolarHBondContact O-N 3.42Å; S433-T436 PolarHBondContact O-N 3.43Å; S433-Q437 WeakPolarHBondContact O-CG 3.47Å; S433-Q437 PolarHBondContact O-N 3.46Å
434V59.4Low70.3Confident83 Ų8383.4 Ų83.450%0.50347%0.469SS..Hα-helixtrans-67.7-41.5174.4172.30000111.4E430 G431 T436 Q437 V438E430-V434 WeakPolarHBondContact O-CG2 3.43Å; E430-V434 PolarHBondContact O-N 3.5Å; G431-V434 PolarHBondContact O-N 3.34Å; V434-T436 VanDerWaalsContact C-N 3.33Å; V434-Q437 PolarHBondContact O-N 2.95Å; V434-V438 HydrophobicContact CG1-CG2 4.42Å; V434-V438 WeakPolarHBondContact O-CB 3.31Å; V434-V438 VanDerWaalsContact O-CG2 3.3Å; V434-V438 WeakPolarHBondContact O-CG2 3.32Å; V434-V438 PolarHBondContact O-N 3.19Å
435I62Low69.6Low82 Ų8284.3 Ų84.342%0.42147%0.471SS..Hα-helixtrans-59.1-47.4172.8-74.1163000109.7G431 D432 Q437 V438 L439G431-I435 WeakPolarHBondContact O-CB 3.32Å; G431-I435 WeakPolarHBondContact O-CD1 3.43Å; G431-I435 WeakPolarHBondContact O-CG1 3.26Å; G431-I435 PolarHBondContact O-N 2.93Å; D432-I435 PolarHBondContact O-N 2.65Å; I435-Q437 PolarHBondContact O-N 3.01Å; I435-V438 PolarHBondContact O-N 3.1Å; I435-L439 HydrophobicContact CG2-CD1 3.69Å; I435-L439 HydrophobicContact CG2-CG 4.3Å; I435-L439 WeakPolarHBondContact O-CB 3.26Å; I435-L439 VanDerWaalsContact O-CG 3.28Å; I435-L439 WeakPolarHBondContact O-CG 3.44Å; I435-L439 PolarHBondContact O-N 3.34Å
436T67Low69.1Low63 Ų6388.4 Ų88.439%0.38749%0.49SS..Hα-helixtrans-60.5-41.9176.9-63.50000112.3D432 S433 V434 N440D432-T436 VanDerWaalsContact O-CB 3.29Å; D432-T436 WeakPolarHBondContact O-CB 3.03Å; D432-T436 PolarHBondContact O-N 3.18Å; D432-T436 PolarHBondContact O-OG1 3.07Å; S433-T436 PolarHBondContact O-N 3.43Å; V434-T436 VanDerWaalsContact C-N 3.33Å; T436-N440 WeakPolarHBondContact CG2-ND2 3.25Å; T436-N440 WeakPolarHBondContact O-CB 3.44Å; T436-N440 PolarHBondContact O-N 2.91Å; T436-N440 PolarHBondContact O-ND2 3.37Å
437Q66Low68.6Low137 Ų13793.5 Ų93.564%0.6451%0.506SS*.Hα-helixtrans-66.4-42.5174.6-76.2-169.79.700112.7S433 V434 I435 N440 K441S433-Q437 WeakPolarHBondContact O-CG 3.47Å; S433-Q437 PolarHBondContact O-N 3.46Å; V434-Q437 PolarHBondContact O-N 2.95Å; I435-Q437 PolarHBondContact O-N 3.01Å; Q437-N440 PolarHBondContact O-N 3.22Å; Q437-K441 WeakPolarHBondContact O-CB 3.28Å; Q437-K441 PolarHBondContact O-N 2.96Å
438V71.3Confident68.2Low95 Ų9594 Ų9458%0.57651%0.506SS*.Hα-helixtrans-65.5-42.1178.61700000111V434 I435 K441 S442V434-V438 HydrophobicContact CG1-CG2 4.42Å; V434-V438 WeakPolarHBondContact O-CB 3.31Å; V434-V438 VanDerWaalsContact O-CG2 3.3Å; V434-V438 WeakPolarHBondContact O-CG2 3.32Å; V434-V438 PolarHBondContact O-N 3.19Å; I435-V438 PolarHBondContact O-N 3.1Å; V438-K441 PolarHBondContact O-N 3.31Å; V438-S442 VanDerWaalsContact O-CB 3.31Å; V438-S442 WeakPolarHBondContact O-CB 3.34Å; V438-S442 PolarHBondContact O-N 2.94Å
439L69Low67.8Low103 Ų10395.9 Ų95.954%0.53951%0.508SS..Hα-helixtrans-62.2-49.5174.6-73170.3000111.6I435 K441 S442 L443I435-L439 HydrophobicContact CG2-CD1 3.69Å; I435-L439 HydrophobicContact CG2-CG 4.3Å; I435-L439 WeakPolarHBondContact O-CB 3.26Å; I435-L439 VanDerWaalsContact O-CG 3.28Å; I435-L439 WeakPolarHBondContact O-CG 3.44Å; I435-L439 PolarHBondContact O-N 3.34Å; L439-K441 VanDerWaalsContact C-N 3.33Å; L439-K441 PolarHBondContact O-N 3.04Å; L439-S442 PolarHBondContact O-N 3.03Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.46Å; L439-L443 PolarHBondContact O-N 3.01Å
440N75.5Confident68.5Low100 Ų100100.8 Ų100.854%0.53552%0.524SS..Hα-helixtrans-62.3-38.9178.2-80.3-64.4000112.5T436 Q437 L443 A444T436-N440 WeakPolarHBondContact CG2-ND2 3.25Å; T436-N440 WeakPolarHBondContact O-CB 3.44Å; T436-N440 PolarHBondContact O-N 2.91Å; T436-N440 PolarHBondContact O-ND2 3.37Å; Q437-N440 PolarHBondContact O-N 3.22Å; N440-L443 PolarHBondContact O-N 3.42Å; N440-A444 PolarHBondContact O-N 3.24Å; N440-A444 VanDerWaalsContact O-N 3.08Å
441K79.8Confident69.3Low134 Ų134102.4 Ų102.458%0.58353%0.532SS*.Hα-helixtrans-67.6-43.7175.6-172.5176.2176.1-171.60111.9Q437 V438 L439 L443 A444 E445Q437-K441 WeakPolarHBondContact O-CB 3.28Å; Q437-K441 PolarHBondContact O-N 2.96Å; V438-K441 PolarHBondContact O-N 3.31Å; L439-K441 VanDerWaalsContact C-N 3.33Å; L439-K441 PolarHBondContact O-N 3.04Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.45Å; K441-A444 WeakPolarHBondContact O-CB 3.5Å; K441-A444 PolarHBondContact O-N 3.03Å; K441-A444 VanDerWaalsContact O-N 3.17Å; K441-E445 WeakPolarHBondContact CE-OE1 3.42Å; K441-E445 IonicContact NZ-OE1 3.15Å; K441-E445 PolarHBondContact O-N 3.16Å
442S77.1Confident70.2Confident61 Ų61103.2 Ų103.243%0.42753%0.534SS..Hα-helixtrans-64.6-34.9177-168.60000112.1V438 L439 Q446V438-S442 VanDerWaalsContact O-CB 3.31Å; V438-S442 WeakPolarHBondContact O-CB 3.34Å; V438-S442 PolarHBondContact O-N 2.94Å; L439-S442 PolarHBondContact O-N 3.03Å; S442-Q446 VanDerWaalsContact O-CB 3.25Å; S442-Q446 WeakPolarHBondContact O-CB 3.43Å; S442-Q446 PolarHBondContact O-N 2.97Å
443L79.2Confident70.5Confident102 Ų102102.6 Ų102.653%0.53453%0.531SS..Hα-helixtrans-66.3-37.4172.9-77165.9000112.1L439 N440 K441 R447L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.46Å; L439-L443 PolarHBondContact O-N 3.01Å; N440-L443 PolarHBondContact O-N 3.42Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.45Å; L443-R447 WeakPolarHBondContact O-CG 3.36Å; L443-R447 PolarHBondContact O-N 3.44Å
444A76.9Confident70.8Confident51 Ų51106.5 Ų106.542%0.42154%0.539SS..Hα-helixtrans-67.8-45.9174.800000112.1N440 K441 Q446 R447 Q448N440-A444 PolarHBondContact O-N 3.24Å; N440-A444 VanDerWaalsContact O-N 3.08Å; K441-A444 WeakPolarHBondContact O-CB 3.5Å; K441-A444 PolarHBondContact O-N 3.03Å; K441-A444 VanDerWaalsContact O-N 3.17Å; A444-Q446 VanDerWaalsContact C-N 3.32Å; A444-Q446 PolarHBondContact O-N 3.31Å; A444-R447 PolarHBondContact O-N 3.05Å; A444-Q448 WeakPolarHBondContact O-CG 3.29Å; A444-Q448 PolarHBondContact O-N 2.66Å; A444-Q448 VanDerWaalsContact O-N 3.12Å
445E75.5Confident70.7Confident105 Ų105107.7 Ų107.749%0.49155%0.547SS..Hα-helixtrans-62.2-38.6174.9-72.8172.6167.200111.4K441 Q448 H449K441-E445 WeakPolarHBondContact CE-OE1 3.42Å; K441-E445 IonicContact NZ-OE1 3.15Å; K441-E445 PolarHBondContact O-N 3.16Å; E445-Q448 PolarHBondContact O-N 2.82Å; E445-H449 WeakPolarHBondContact O-CB 3.49Å; E445-H449 PolarHBondContact O-N 3.47Å
446Q75.9Confident70.4Confident127 Ų127111.5 Ų111.559%0.59356%0.561SS**Hα-helixtrans-68.6-37.5177.2-172.5164.2-8.800113S442 A444 H449 E450S442-Q446 VanDerWaalsContact O-CB 3.25Å; S442-Q446 WeakPolarHBondContact O-CB 3.43Å; S442-Q446 PolarHBondContact O-N 2.97Å; A444-Q446 VanDerWaalsContact C-N 3.32Å; A444-Q446 PolarHBondContact O-N 3.31Å; Q446-H449 PolarHBondContact O-N 3.36Å; Q446-E450 PolarHBondContact O-N 3.19Å
447R75.1Confident69.6Low187 Ų187114.6 Ų114.671%0.70658%0.575SS**Hα-helixtrans-62.4-45.5172.1-78.7-175.8176.4-138.40.1112.1L443 A444 H449 E450 E451L443-R447 WeakPolarHBondContact O-CG 3.36Å; L443-R447 PolarHBondContact O-N 3.44Å; A444-R447 PolarHBondContact O-N 3.05Å; R447-H449 VanDerWaalsContact C-N 3.28Å; R447-H449 PolarHBondContact O-N 3.4Å; R447-E450 WeakPolarHBondContact O-CB 3.48Å; R447-E450 PolarHBondContact O-N 3.39Å; R447-E450 VanDerWaalsContact O-N 3.09Å; R447-E451 PolarHBondContact O-N 3.14Å
448Q73Confident68.7Low131 Ų131116.1 Ų116.161%0.61258%0.582SS**Hα-helixtrans-61.4-38.5176.4-69.9178.93.500111.8A444 E445 E450 A452A444-Q448 WeakPolarHBondContact O-CG 3.29Å; A444-Q448 PolarHBondContact O-N 2.66Å; A444-Q448 VanDerWaalsContact O-N 3.12Å; E445-Q448 PolarHBondContact O-N 2.82Å; Q448-E450 VanDerWaalsContact C-N 3.34Å; Q448-A452 VanDerWaalsContact O-CB 3.29Å; Q448-A452 WeakPolarHBondContact O-CB 3.38Å; Q448-A452 PolarHBondContact O-N 3.07Å
449H65.9Low67.5Low129 Ų129114.9 Ų114.960%0.59759%0.588SS**Hα-helixtrans-68.2-31174.8-168.6-104.7000112.8E445 Q446 R447 N453E445-H449 WeakPolarHBondContact O-CB 3.49Å; E445-H449 PolarHBondContact O-N 3.47Å; Q446-H449 PolarHBondContact O-N 3.36Å; R447-H449 VanDerWaalsContact C-N 3.28Å; R447-H449 PolarHBondContact O-N 3.4Å; H449-N453 PolarHBondContact CE1-ND2 3.47Å; H449-N453 PolarHBondContact ND1-ND2 3.37Å; H449-N453 PolarHBondContact NE2-ND2 3.14Å; H449-N453 PolarHBondContact O-N 3.47Å; H449-N453 PolarHBondContact O-ND2 3.44Å
450E73.3Confident66.3Low128 Ų128118.7 Ų118.760%0.59860%0.601SS**Hα-helixtrans-68.5-47.9173.6-164.9-178.4138.400111.6Q446 R447 Q448 A452 N453 K454Q446-E450 PolarHBondContact O-N 3.19Å; R447-E450 WeakPolarHBondContact O-CB 3.48Å; R447-E450 PolarHBondContact O-N 3.39Å; R447-E450 VanDerWaalsContact O-N 3.09Å; Q448-E450 VanDerWaalsContact C-N 3.34Å; E450-A452 VanDerWaalsContact C-N 3.35Å; E450-A452 PolarHBondContact O-N 3.18Å; E450-N453 PolarHBondContact O-N 3.44Å; E450-N453 VanDerWaalsContact O-N 3.13Å; E450-K454 WeakPolarHBondContact O-CB 3.36Å; E450-K454 PolarHBondContact O-N 3.34Å
451E71.4Confident64.7Low134 Ų134123.7 Ų123.763%0.62662%0.618SS**Hα-helixtrans-62.2-39.7177.7-67.7-175.8121.200112.5R447 N453 K454 T455R447-E451 PolarHBondContact O-N 3.14Å; E451-N453 VanDerWaalsContact C-N 3.26Å; E451-N453 PolarHBondContact O-N 3.1Å; E451-K454 PolarHBondContact O-N 2.87Å; E451-T455 PolarHBondContact O-N 3.26Å; E451-T455 PolarHBondContact O-OG1 3.27Å
452A67.8Low62.6Low59 Ų59120.7 Ų120.749%0.48863%0.625SS.*Hα-helixtrans-67.6-20.3176.100000114.2Q448 E450 T455Q448-A452 VanDerWaalsContact O-CB 3.29Å; Q448-A452 WeakPolarHBondContact O-CB 3.38Å; Q448-A452 PolarHBondContact O-N 3.07Å; E450-A452 VanDerWaalsContact C-N 3.35Å; E450-A452 PolarHBondContact O-N 3.18Å; A452-T455 PolarHBondContact O-OG1 3.4Å
453N62.6Low61.7Low74 Ų74123.5 Ų123.540%0.39664%0.642SS.*Hα-helixtrans-94.4-35.3173.6-77.4-67.5000112.2H449 E450 E451 T455 K456 D457H449-N453 PolarHBondContact CE1-ND2 3.47Å; H449-N453 PolarHBondContact ND1-ND2 3.37Å; H449-N453 PolarHBondContact NE2-ND2 3.14Å; H449-N453 PolarHBondContact O-N 3.47Å; H449-N453 PolarHBondContact O-ND2 3.44Å; E450-N453 PolarHBondContact O-N 3.44Å; E450-N453 VanDerWaalsContact O-N 3.13Å; E451-N453 VanDerWaalsContact C-N 3.26Å; E451-N453 PolarHBondContact O-N 3.1Å; N453-T455 PolarHBondContact O-N 3.26Å; N453-K456 WeakPolarHBondContact O-CB 3.19Å; N453-K456 PolarHBondContact O-N 2.72Å; N453-D457 PolarHBondContact O-N 3.23Å
454K63.3Low59.6Low151 Ų151126 Ų12666%0.65766%0.655SS**Hα-helixtrans-62.1-28.6176.1-170.5174.4-177.6177.70113.4E450 E451 K456E450-K454 WeakPolarHBondContact O-CB 3.36Å; E450-K454 PolarHBondContact O-N 3.34Å; E451-K454 PolarHBondContact O-N 2.87Å; K454-K456 VanDerWaalsContact C-N 3.34Å
455T57.6Low57.8Low109 Ų109131.8 Ų131.867%0.66967%0.671SS**Hα-helixtrans-77-15.8172.140.30000113.8E451 A452 N453E451-T455 PolarHBondContact O-N 3.26Å; E451-T455 PolarHBondContact O-OG1 3.27Å; A452-T455 PolarHBondContact O-OG1 3.4Å; N453-T455 PolarHBondContact O-N 3.26Å
456K56.2Low55.9Low161 Ų161135.7 Ų135.770%0.769%0.687SS**Hα-helixtrans-91.4-29.6-176.1-130.8171.1-171.8171.10113.8N453 K454N453-K456 WeakPolarHBondContact O-CB 3.19Å; N453-K456 PolarHBondContact O-N 2.72Å; K454-K456 VanDerWaalsContact C-N 3.34Å
457D48.5Very low53.9Low128 Ų128136.8 Ų136.868%0.68470%0.695SS**Hα-helixtrans-76.7-31.1-173.6-154.8-117.5000113.4N453 G459 K460N453-D457 PolarHBondContact O-N 3.23Å; D457-G459 PolarHBondContact O-N 3.4Å; D457-K460 PolarHBondContact O-N 3.45Å
458Q46.9Very low51.8Low169 Ų169135.7 Ų135.779%0.7970%0.699SS**THydrogen-bonded Turntrans-63.5-12.9176.8-68.5-173.873.800114K460Q458-K460 VanDerWaalsContact C-N 3.26Å; Q458-K460 PolarHBondContact O-N 3.33Å
459G46.1Very low49.9Very low69 Ų69137.3 Ų137.371%0.71170%0.704SS**THydrogen-bonded Turntrans-74.2-2.8176.600000115.7D457D457-G459 PolarHBondContact O-N 3.4Å
460K45.2Very low48.2Very low183 Ų183135.7 Ų135.780%0.79670%0.699SS**  trans-112.951.3-171.6-76-171.2174.8179.40115.8D457 Q458D457-K460 PolarHBondContact O-N 3.45Å; Q458-K460 VanDerWaalsContact C-N 3.26Å; Q458-K460 PolarHBondContact O-N 3.33Å
461K41.3Very low46.4Very low206 Ų206137.1 Ų137.190%0.89671%0.706SS**  trans-127.485.6155.1-75.9-165.3174.7-177.20111.7
462G35.4Very low44.4Very low71 Ų71137.2 Ų137.273%0.73272%0.716SS**  trans-73.8163.8168.900000112.8
463P58.2Low42.6Very low120 Ų120137.2 Ų137.278%0.77972%0.721SS**  trans-101.8159.1-158.238.3-36.7000115.4
464N35.4Very low41.3Very low154 Ų154139.8 Ų139.882%0.82475%0.746SS**  trans170159.2142.2-94.3-67000109.1
465K38.8Very low40Very low173 Ų173141.2 Ų141.275%0.75275%0.752SS**  cis-173.7155.1-37.8-165.1173.7-178.11720108.6
466K36.6Very low38.9Very low187 Ų187142.1 Ų142.181%0.81376%0.757SS**  trans73.7158171-63.3-169.7178.5-175.50117
467L34.4Very low37.9Very low149 Ų149141.9 Ų141.978%0.7876%0.763SS**  cis-176.1127.4-28.7175.971.8000109.2
468E29.2Very low37.1Very low165 Ų165143.3 Ų143.377%0.77177%0.77SS**  trans170.8139.1141.8-93.7-170.399.400107.3
469K33.1Very low36.4Very low165 Ų165138.8 Ų138.872%0.71777%0.769SS**  68.1127.869.6-137.6-177.1177.6-97.70110.7
470D30.2Very low35.6Very low94 Ų94138.6 Ų138.650%0.50377%0.767SS.*  cis-154.3160.226.3-142.7-34.2000112.1
471Q36.3Very low35.1Very low158 Ų158134.6 Ų134.674%0.73876%0.762SS**  trans45.2155.8160.2-74154.274.800120.3
472T29.7Very low34.8Very low136 Ų136131.6 Ų131.683%0.83476%0.756SS**  cis-154152.1-5.25.80000103.9
473G29.5Very low34.7Very low59 Ų59133.3 Ų133.361%0.60875%0.752SS**  cis136.3139.635.600000107.6
474S35Very low33.6Very low129 Ų129135.9 Ų135.990%0.90275%0.754SS**  trans70.9156.5176.6820000119
475K36.4Very low33.3Very low181 Ų181134.5 Ų134.579%0.78775%0.746SS**  cis-174.5109.8-31.5174.7-175.5179.7-176.40111.8
476T33.8Very low33Very low127 Ų127130.6 Ų130.678%0.77974%0.741SS**  trans179.3118.3150.134.90000107.1
477L36.4Very low32.7Very low156 Ų156127.3 Ų127.382%0.81774%0.742SS**  60.6133.775.8-64.9175.8000114.8
478N31.6Very low32.8Very low159 Ų159128.1 Ų128.185%0.8574%0.741SS**  cis-169.1142.1-35.2-175.731.1000107.8
479G31.1Very low33.7Very low73 Ų73125 Ų12575%0.75374%0.735SS**  trans75.4154173.500000116.1
480G30.5Very low33.9Very low65 Ų65125.2 Ų125.267%0.6774%0.739SS**  cis170.9126.4-9.700000114.4
481S34.6Very low34Very low100 Ų100129.5 Ų129.570%0.69976%0.755SS**  trans47.9114.3146.452.80000121.8
482D35.2Very low34Very low143 Ų143129.2 Ų129.277%0.76576%0.759SS**  71153.9125.7-59.1-53.3000120
483T33.3Very low34Very low106 Ų106126.7 Ų126.765%0.6576%0.76SS**  cis-163.9139.7-6.2160000111.1
484Q34.4Very low34.2Very low174 Ų174131.2 Ų131.281%0.81377%0.77SS**  trans55.2177.9156-52.8-173.4-106.900117.1
485D29.7Very low34.1Very low125 Ų125130.8 Ų130.867%0.66877%0.767SS**  cis-145.3-180-4-161.530.1000111.7
486S32Very low33.9Very low92 Ų92128.3 Ų128.364%0.64376%0.762SS**  trans6.2149.1146.1-61.90000121
487S31.1Very low34.1Very low118 Ų118129.4 Ų129.483%0.82576%0.759SS**  cis-169.1174.98.541.50000113.3
488H36.5Very low33.9Very low165 Ų165127.9 Ų127.976%0.76475%0.748SS**  trans-59.4170.9162.6-129.8-128.5000112.3
489P47.4Very low33.9Very low99 Ų99125.4 Ų125.464%0.64374%0.742SS**  cis-148.6175.124.844-23.1000120.4
490Q38Very low34.1Very low171 Ų171129.5 Ų129.580%0.79974%0.74SS**  trans28.3131.8145.4-63.5176.8-88.500123.1
491H32.1Very low34.1Very low183 Ų183132.7 Ų132.785%0.84774%0.741SS**  -157.3164.8118.3-149.5-97.5000113.9
492N35.4Very low34Very low152 Ų152132.1 Ų132.181%0.81374%0.737SS**  trans-91.3159.2171.3-70-15.9000112.5
493G30.3Very low33.9Very low84 Ų84133 Ų13387%0.86674%0.737SS**  trans-168.5129.9163.200000111.8
494D33.7Very low33.7Very low154 Ų154136 Ų13682%0.82474%0.743SS**  trans-122.3145.5-178.9178.1-81000109.3
495S33.7Very low33.6Very low120 Ų120131.5 Ų131.584%0.83974%0.736SS**  trans-162.5141.2162.7-80.90000114.7
496N32.2Very low33.5Very low128 Ų128130.9 Ų130.968%0.68474%0.741SS**  trans-67179.4172.5-139.512.5000112
497E36.5Very low33.5Very low150 Ų150131.2 Ų131.270%0.70174%0.743SS**  cis-165.2171.615.9-163.3142.2-153.400113.4
498E32.5Very low33.5Very low125 Ų125134.7 Ų134.758%0.58474%0.744SS**  trans31.8123.2157.4-86-162.4103.600124.9K500E498-K500 VanDerWaalsContact OE1-CE 3.32Å; E498-K500 WeakPolarHBondContact OE1-CE 3.33Å; E498-K500 IonicContact OE1-NZ 3.81Å; E498-K500 PolarHBondContact OE1-NZ 3.41Å
499S32.1Very low33.2Very low106 Ų106136.2 Ų136.274%0.74175%0.748SS**  177.3130.8104.1-74.60000110.3
500K35Very low32.7Very low160 Ų160141.2 Ų141.270%0.69676%0.76SS**  64.113268.6-78.8179.5180151.20114.3E498E498-K500 VanDerWaalsContact OE1-CE 3.32Å; E498-K500 WeakPolarHBondContact OE1-CE 3.33Å; E498-K500 IonicContact OE1-NZ 3.81Å; E498-K500 PolarHBondContact OE1-NZ 3.41Å
501D31.6Very low32.3Very low131 Ų131138 Ų13870%0.70176%0.756SS**  cis-157.9-169.9-6.6-150.2-92000112.1
502S31.6Very low32.2Very low88 Ų88134.5 Ų134.562%0.61575%0.752SS**  trans-55.2178.2177.6-42.10000115
503H32.6Very low31.8Very low163 Ų163131.3 Ų131.376%0.75576%0.755SS**  cis-156.4166.323.2-90.3-84.9000108.2
504E29.4Very low31.9Very low169 Ų169135.3 Ų135.379%0.7975%0.751SS**  cis-159-85.4-17.5-175.2172.3119.100112.7
505A31.6Very low31.8Very low79 Ų79135 Ų13565%0.65375%0.745SS**  trans-154.2155.3-162.300000117.8
506S29.3Very low31.7Very low112 Ų112139.1 Ų139.178%0.78374%0.742SS**  trans-177.8124.9131-93.70000118.7
507S31.1Very low31.8Very low98 Ų98142.4 Ų142.469%0.68575%0.753SS**  67.3115.6127-62.80000125.6
508K30.6Very low31.7Very low192 Ų192140 Ų14084%0.83576%0.759SS**  90.7138.5123.6-75.7176.7177170.60123.6
509K31.4Very low31.6Very low197 Ų197142.7 Ų142.786%0.85777%0.771SS**  trans63139.6162-74.1-171171.9-170.50116.9
510K36Very low31.7Very low203 Ų203144.6 Ų144.688%0.88377%0.773SS**  cis76.895.99-153.5-176.6-175.5-177.20117.9
511S30.5Very low31.5Very low103 Ų103142.3 Ų142.372%0.7278%0.777SS**  trans-158.9112.3161.742.60000105.7
512S29.3Very low31.7Very low110 Ų110142.1 Ų142.177%0.76978%0.775SS**  71.8111.37667.80000113.3
513G27Very low31.8Very low85 Ų85146.9 Ų146.988%0.87679%0.785SS**  trans-91.4143.5157.700000109.2
514E31.5Very low31.8Very low168 Ų168148 Ų14879%0.78579%0.79SS**  trans-118.5173.5-176-164.4167.5105.400109.6
515E31.6Very low32.3Very low147 Ų147145.2 Ų145.269%0.68779%0.79SS**  trans90.8139.6161.6-49.4-157.898.300117.9
516R33.2Very low33.5Very low207 Ų207146.9 Ų146.978%0.78179%0.794SS**  cis-159.4164.7-18.1-124177.5165.296.86.7109.4
517E33.9Very low33.9Very low198 Ų198149.4 Ų149.493%0.92580%0.798SS**  trans-89.9150.5176-61.8177.9102.800113.7
518A33.3Very low34.5Very low99 Ų99152.2 Ų152.282%0.81881%0.805SS**  trans179.2152.3154.300000110
519E32.2Very low34.6Very low181 Ų181153.3 Ų153.385%0.84682%0.82SS**  cis-156175.8-33.7-148-167.496.900109.3
520L34.2Very low34.8Very low147 Ų147151.2 Ų151.277%0.7782%0.818SS**  trans-57.2141.6-170.9-59.6157000117.9
521S30.3Very low34.7Very low112 Ų112148.4 Ų148.478%0.78382%0.815SS**  -173.3121.9122.6-163.50000108.3
522L34.6Very low35Very low127 Ų127150.9 Ų150.967%0.66582%0.82SS**  cis77.1109.546-141.896.8000114.1
523K33.8Very low35.3Very low188 Ų188153.4 Ų153.482%0.81782%0.823SS**  trans69.1154.5167.8-61.1176.1-176.1179.20116
524E32.8Very low35.8Very low186 Ų186157.6 Ų157.687%0.86982%0.82SS**  cis-121.3169.612-76.7-175.5115.700115.3
525S40.8Very low36.1Very low111 Ų111156.9 Ų156.978%0.77682%0.822SS**  trans-141.8171163.6-40.20000106.9
526P55.7Low36.4Very low114 Ų114157.6 Ų157.674%0.7483%0.832SS**  cis-118.9-168.7-22.440.1-26.2000110
527L38Very low36.7Very low165 Ų165153.8 Ų153.886%0.86484%0.836SS**  trans-171106.2130.3-108.1166.9000110.7
528D43.7Very low36.9Very low156 Ų156150.2 Ų150.283%0.83483%0.828SS**  trans-137.1160.9134.3-141.9-43000107.7
529N33.4Very low37.2Very low216 Ų216154.8 Ų154.8100%1.15583%0.829SS**  trans-43.20-161.1174106.9000117.5

Retrieved 529 of 529 residues in 155.9 ms (Link to these results)

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