A0A096NVP0_PAPAN Loading...

Eukaryotic translation initiation factor 2 subunit 1

AlphaFold DB (P05198), UniProt , Accession A0A096NVP0, Species PAPAN (Papio anubis, Olive baboon), Gene EIF2S1, Length 315 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
1M33.9Very low57.9Low233 Ų23371.9 Ų71.9100%1.14839%0.389SS*.  01300-65.8-178.6-17700107.5G3M1-G3 PolarHBondContact O-N 2.99Å; M1-G3 VanDerWaalsContact O-N 3.07Å
2P42Very low58.5Low129 Ų12976.8 Ų76.884%0.83840%0.403SS*.PPolyproline II helixtrans-60.8116.4170.128.2-29.3000105.8L4P2-L4 PolarHBondContact O-N 3.03Å
3G51.4Low59.4Low40 Ų4075.1 Ų75.141%0.41239%0.391SS..PPolyproline II helixtrans-63.5130.3-177.100000108.8M1 S5M1-G3 PolarHBondContact O-N 2.99Å; M1-G3 VanDerWaalsContact O-N 3.07Å; G3-S5 PolarHBondContact O-N 3.25Å; G3-S5 VanDerWaalsContact O-N 3.11Å
4L55.7Low60.7Low43 Ų4370.1 Ų70.123%0.22537%0.365CS..PPolyproline II helixtrans-52122.8171.8-72.289.9000108.2P2 Y109 L127P2-L4 PolarHBondContact O-N 3.03Å; L4-Y109 PolarHBondContact O-OH 2.98Å; L4-L127 HydrophobicContact CB-CD2 3.76Å; L4-L127 HydrophobicContact CD2-CB 4.14Å; L4-L127 HydrophobicContact CD2-CD2 4.32Å
5S59.9Low62Low38 Ų3875.2 Ų75.227%0.26639%0.387SS..  trans-119.3107.8-176.1-170.60000107.7G3 N40 N41G3-S5 PolarHBondContact O-N 3.25Å; G3-S5 VanDerWaalsContact O-N 3.11Å; S5-N40 WeakPolarHBondContact CB-OD1 3.5Å; S5-N40 PolarHBondContact O-OD1 2.77Å; S5-N40 VanDerWaalsContact O-OD1 3.1Å; S5-N40 PolarHBondContact OG-OD1 3.47Å; S5-N41 PolarHBondContact OG-ND2 2.81Å
6C62Low63.4Low3 Ų376 Ų762%0.0240%0.396CS..  trans-111.6148.5177.6179.80000109.6Y109 L127 E128C6-Y109 HydrophobicContact CB-CE2 4.01Å; C6-Y109 PolarHBondContact N-OH 3.43Å; C6-Y109 VanDerWaalsContact O-CE2 3.31Å; C6-Y109 WeakPolarHBondContact O-CE2 3.47Å; C6-L127 HydrophobicContact CB-CD2 3.55Å; C6-L127 HydrophobicContact CB-CG 3.77Å; C6-E128 HydrophobicContact CB-CG 4.45Å; C6-E128 VanDerWaalsContact SG-CG 3.58Å
7R67.6Low64.6Low40 Ų4080.5 Ų80.515%0.15141%0.414CS..  trans-69.5147.217165.9-175.6108151.47.7110Y9 Q10 K12 N40 E128 W136R7-Y9 WeakPolarHBondContact CD-O 3.42Å; R7-Y9 VanDerWaalsContact CG-O 3.27Å; R7-Y9 WeakPolarHBondContact CG-O 3.35Å; R7-Q10 PolarHBondContact NH1-O 3.37Å; R7-K12 VanDerWaalsContact NH2-CE 3.33Å; R7-N40 HydrophobicContact CB-CB 4.28Å; R7-E128 IonicContact CZ-OE1 2.78Å; R7-E128 IonicContact NE-OE1 2.67Å; R7-E128 PolarHBondContact NE-OE1 3.31Å; R7-E128 IonicContact NH2-OE1 3.22Å; R7-E128 PolarHBondContact NH2-OE1 2.73Å; R7-E128 IonicContact NH2-OE2 3.1Å; R7-W136 HydrophobicContact CG-CH2 4.19Å; R7-W136 HydrophobicContact CG-CZ2 3.75Å
8F65.6Low65.7Low25 Ų2578.6 Ų78.611%0.1141%0.405CS..SBendtrans-77.7-37.3180-75.7-110.4000111.8L37 E38 S105 Y109 W136F8-L37 WeakPolarHBondContact CE2-O 3.49Å; F8-E38 VanDerWaalsContact CB-O 3.32Å; F8-E38 WeakPolarHBondContact CB-O 3.5Å; F8-E38 VanDerWaalsContact CD2-O 3.31Å; F8-E38 WeakPolarHBondContact CD2-O 3.25Å; F8-E38 PolarHBondContact N-O 3.29Å; F8-S105 VanDerWaalsContact CE1-C 3.46Å; F8-S105 VanDerWaalsContact CE1-O 3.29Å; F8-S105 WeakPolarHBondContact CE1-O 3.35Å; F8-Y109 HydrophobicContact CD1-CD2 4.32Å; F8-Y109 HydrophobicContact CD1-CG 4.46Å; F8-Y109 HydrophobicContact CD2-CD2 4.11Å; F8-Y109 AromaticContact CE1-CD2 4Å; F8-Y109 HydrophobicContact CE1-CD2 4Å; F8-Y109 AromaticContact CE1-CG 3.76Å; F8-Y109 HydrophobicContact CE1-CG 3.76Å; F8-Y109 AromaticContact CE2-CD2 3.71Å; F8-Y109 HydrophobicContact CE2-CD2 3.71Å; F8-Y109 HydrophobicContact CE2-CE2 4.14Å; F8-Y109 HydrophobicContact CE2-CG 4.01Å; F8-Y109 HydrophobicContact CG-CD2 4.43Å; F8-Y109 HydrophobicContact CZ-CD1 4.09Å; F8-Y109 AromaticContact CZ-CD2 3.67Å; F8-Y109 HydrophobicContact CZ-CD2 3.67Å; F8-Y109 HydrophobicContact CZ-CE2 4.45Å; F8-Y109 AromaticContact CZ-CG 3.49Å; F8-Y109 HydrophobicContact CZ-CG 3.49Å; F8-Y109 VanDerWaalsContact CZ-CG 3.49Å; F8-W136 PolarHBondContact O-NE1 2.85Å
9Y67.7Low66.7Low14 Ų1475.3 Ų75.36%0.05539%0.389CS..SBendtrans-110.7156.1-175.7-51.7-68.9000111.9R7 H11 E38 Y39 K101 S105 P145R7-Y9 WeakPolarHBondContact CD-O 3.42Å; R7-Y9 VanDerWaalsContact CG-O 3.27Å; R7-Y9 WeakPolarHBondContact CG-O 3.35Å; Y9-H11 VanDerWaalsContact C-N 3.25Å; Y9-H11 PolarHBondContact O-N 2.88Å; Y9-E38 HydrophobicContact CD2-CB 4.38Å; Y9-E38 HydrophobicContact CE2-CB 3.82Å; Y9-E38 HydrophobicContact CE2-CG 4.22Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.26Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.38Å; Y9-E38 PolarHBondContact OH-OE1 2.72Å; Y9-Y39 AromaticContact CD2-CE1 3.92Å; Y9-Y39 HydrophobicContact CD2-CE1 3.92Å; Y9-Y39 HydrophobicContact CD2-CE2 4.07Å; Y9-Y39 AromaticContact CD2-CZ 3.61Å; Y9-Y39 HydrophobicContact CE2-CE2 4.32Å; Y9-K101 VanDerWaalsContact OH-CE 3.25Å; Y9-K101 WeakPolarHBondContact OH-CE 3.43Å; Y9-S105 PolarHBondContact OH-OG 2.98Å; Y9-P145 HydrophobicContact CE1-CB 4.46Å
10Q63.7Low67.7Low105 Ų10571.5 Ų71.549%0.49137%0.369SS..SBendtrans-56.4-40.7179.7-172178.210.200112.2R7 W136R7-Q10 PolarHBondContact NH1-O 3.37Å; Q10-W136 HydrophobicContact CB-CD2 3.85Å; Q10-W136 HydrophobicContact CB-CE3 3.92Å; Q10-W136 HydrophobicContact CB-CG 4.11Å; Q10-W136 HydrophobicContact CG-CD2 4.29Å; Q10-W136 HydrophobicContact CG-CE3 3.84Å; Q10-W136 HydrophobicContact CG-CZ3 4.32Å
11H67.3Low68.7Low121 Ų12168.7 Ų68.756%0.5636%0.355SS*.SBendtrans-72.6128.6179.4-66.9-76.6000111.6Y9 F13 Y39Y9-H11 VanDerWaalsContact C-N 3.25Å; Y9-H11 PolarHBondContact O-N 2.88Å; H11-F13 WeakPolarHBondContact CB-O 3.42Å; H11-F13 PolarHBondContact O-N 3.28Å; H11-Y39 WeakPolarHBondContact O-CD1 3.15Å; H11-Y39 WeakPolarHBondContact O-CE1 3.4Å
12K65.7Low71.4Confident130 Ų13057.6 Ų57.657%0.56530%0.3SS*.SBendtrans-61.7-28.5175.6-74.3-172.4172.2177.80113R7 I42R7-K12 VanDerWaalsContact NH2-CE 3.33Å; K12-I42 WeakPolarHBondContact O-CD1 3.36Å
13F70.4Confident73.7Confident55 Ų5553.3 Ų53.324%0.24127%0.27CS..SBendtrans-128.5144.8-177.7-59.8-78.9000109.7H11 I42 V76 K78H11-F13 WeakPolarHBondContact CB-O 3.42Å; H11-F13 PolarHBondContact O-N 3.28Å; F13-I42 HydrophobicContact CD1-CD1 4.14Å; F13-I42 HydrophobicContact CE1-CD1 4.18Å; F13-V76 HydrophobicContact CB-CG1 3.92Å; F13-V76 HydrophobicContact CD1-CG1 4.28Å; F13-V76 HydrophobicContact CG-CG1 4.25Å; F13-K78 HydrophobicContact CD2-CG 4.37Å
14P77Confident75.5Confident5 Ų551.5 Ų51.53%0.03225%0.251CS..PPolyproline II helixtrans-63.8159.3171.427-33.5000111.3V20 L36 Y39 V73 V76 I83P14-V20 HydrophobicContact CB-CG1 4.36Å; P14-L36 HydrophobicContact CG-CD2 3.92Å; P14-Y39 HydrophobicContact CB-CD2 4.4Å; P14-Y39 HydrophobicContact CB-CE1 4.22Å; P14-Y39 HydrophobicContact CB-CE2 3.73Å; P14-Y39 HydrophobicContact CG-CD2 4.43Å; P14-Y39 HydrophobicContact CG-CE2 4.24Å; P14-V73 HydrophobicContact CB-CG2 3.9Å; P14-V73 HydrophobicContact CG-CG1 4.39Å; P14-V73 HydrophobicContact CG-CG2 3.78Å; P14-V76 HydrophobicContact CG-CG2 4.46Å; P14-I83 HydrophobicContact CG-CD1 3.95Å
15E79.9Confident77Confident147 Ų14756.9 Ų56.969%0.68727%0.268SS*.PPolyproline II helixtrans-81158.6169.3-64.7-165.293.500110.8D18E15-D18 PolarHBondContact O-N 2.74Å
16V84.6Confident78.4Confident88 Ų8857.9 Ų57.953%0.53328%0.276SS..THydrogen-bonded Turntrans-63.5141.4172-710000109.3D18V16-D18 VanDerWaalsContact C-N 3.26Å; V16-D18 PolarHBondContact O-N 2.91Å
17E83.5Confident79.5Confident152 Ų15259.6 Ų59.671%0.7128%0.284SS*.THydrogen-bonded Turntrans71.82.9-175-50.8-168.393.900116.3V72 V73E17-V72 VanDerWaalsContact O-CG2 3.31Å; E17-V72 WeakPolarHBondContact O-CG2 3.24Å; E17-V73 WeakPolarHBondContact CA-O 2.94Å; E17-V73 PolarHBondContact N-O 3.3Å
18D84.2Confident80.3Confident46 Ų4659.5 Ų59.525%0.24629%0.292CS..  trans-73.3141.2173.2-158.8-118.1000111.4E15 V16 V20 V72 V73 K101E15-D18 PolarHBondContact O-N 2.74Å; V16-D18 VanDerWaalsContact C-N 3.26Å; V16-D18 PolarHBondContact O-N 2.91Å; D18-V20 WeakPolarHBondContact OD1-CG1 3.5Å; D18-V72 WeakPolarHBondContact O-CA 3.43Å; D18-V73 PolarHBondContact O-N 2.78Å; D18-K101 IonicContact OD1-NZ 2.79Å; D18-K101 PolarHBondContact OD1-NZ 2.91Å; D18-K101 IonicContact OD2-NZ 3.04Å
19V85.7Confident80.9Confident16 Ų1667.5 Ų67.510%0.09733%0.33CS..EExtended strand (participates in β ladder)trans-95.7120.7177.3-171.10000108.7V72 V90 E94 C98V19-V72 HydrophobicContact CG2-CB 4.44Å; V19-V72 HydrophobicContact CG2-CG2 4.24Å; V19-V90 HydrophobicContact CG1-CG2 4.21Å; V19-E94 HydrophobicContact CG2-CB 4.46Å; V19-C98 HydrophobicContact CB-CB 4.43Å; V19-C98 HydrophobicContact CG1-CB 3.73Å
20V87.3Confident81.6Confident0 Ų074.3 Ų74.30%036%0.364CS..EExtended strand (participates in β ladder)trans-129.6152.5-172.3-61.60000111.7P14 D18 V22 L36 E38 Y39 V71 V73 L85P14-V20 HydrophobicContact CB-CG1 4.36Å; D18-V20 WeakPolarHBondContact OD1-CG1 3.5Å; V20-V22 HydrophobicContact CG2-CG1 4.14Å; V20-L36 HydrophobicContact CG2-CD2 4.05Å; V20-L36 HydrophobicContact CG2-CG 4.4Å; V20-E38 WeakPolarHBondContact CA-OE2 3.35Å; V20-Y39 HydrophobicContact CG1-CE2 3.82Å; V20-V71 HydrophobicContact CG2-CG2 4.19Å; V20-V71 PolarHBondContact N-O 3.42Å; V20-V71 PolarHBondContact O-N 3.23Å; V20-V73 HydrophobicContact CG1-CG2 4.41Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V20-L85 HydrophobicContact CG2-CD2 4.21Å
21M87.4Confident82.5Confident12 Ų1269.3 Ų69.36%0.05934%0.34CS..EExtended strand (participates in β ladder)trans-90.1124.2175.8-158.475.7166.700110.5L37 E38 N68 C70 E99 F102M21-L37 PolarHBondContact O-N 3.45Å; M21-E38 PolarHBondContact N-OE2 2.96Å; M21-N68 HydrophobicContact CE-CB 3.55Å; M21-N68 HydrophobicContact CG-CB 4.25Å; M21-C70 PolarHBondContact SD-SG 2.82Å; M21-E99 HydrophobicContact CE-CG 4.17Å; M21-F102 HydrophobicContact CB-CB 4.14Å; M21-F102 HydrophobicContact CB-CD1 4.4Å; M21-F102 HydrophobicContact CB-CD2 3.61Å; M21-F102 HydrophobicContact CB-CE2 4.12Å; M21-F102 HydrophobicContact CB-CG 3.78Å; M21-F102 HydrophobicContact CG-CB 4.49Å; M21-F102 HydrophobicContact CG-CD1 4.08Å; M21-F102 HydrophobicContact CG-CD2 4.15Å; M21-F102 HydrophobicContact CG-CE1 4.38Å; M21-F102 HydrophobicContact CG-CE2 4.45Å; M21-F102 HydrophobicContact CG-CG 3.96Å
22V90.1Very high83.4Confident0 Ų063.6 Ų63.60%031%0.314CS..EExtended strand (participates in β ladder)trans-120.6145.7-179-57.30000111.8V20 V34 S35 L36 N68 E69 V71 L85V20-V22 HydrophobicContact CG2-CG1 4.14Å; V22-V34 HydrophobicContact CB-CB 3.92Å; V22-V34 HydrophobicContact CB-CG2 3.82Å; V22-V34 HydrophobicContact CG1-CG2 4.08Å; V22-V34 HydrophobicContact CG2-CB 3.91Å; V22-V34 HydrophobicContact CG2-CG1 4.15Å; V22-V34 HydrophobicContact CG2-CG2 3.88Å; V22-S35 CarbonylContact C-O 3.58Å; V22-S35 WeakPolarHBondContact CA-O 3.28Å; V22-L36 HydrophobicContact CG1-CD1 4.28Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; V22-N68 CarbonylContact O-C 3.57Å; V22-N68 WeakPolarHBondContact O-CA 3.39Å; V22-E69 HydrophobicContact CG2-CB 4.39Å; V22-E69 WeakPolarHBondContact CG2-O 3.26Å; V22-E69 PolarHBondContact N-O 3.35Å; V22-E69 PolarHBondContact O-N 3.29Å; V22-V71 HydrophobicContact CB-CG2 4.13Å; V22-V71 HydrophobicContact CG1-CG2 3.43Å; V22-V71 VanDerWaalsContact CG1-CG2 3.43Å; V22-V71 HydrophobicContact CG2-CG1 4.12Å; V22-V71 HydrophobicContact CG2-CG2 3.56Å; V22-L85 HydrophobicContact CG1-CD1 4.13Å
23N90.4Very high84.6Confident40 Ų4062.2 Ų62.221%0.21431%0.306CS..EExtended strand (participates in β ladder)trans-99.9133.4169.7-170.8-82000110.3R25 V34 S35 L37 G66 N68N23-R25 PolarHBondContact O-N 3.45Å; N23-V34 CarbonylContact O-C 3.57Å; N23-V34 WeakPolarHBondContact O-CA 3.43Å; N23-V34 WeakPolarHBondContact O-CB 3.27Å; N23-S35 PolarHBondContact N-O 3.46Å; N23-S35 PolarHBondContact O-N 2.92Å; N23-L37 HydrophobicContact CB-CD1 4.15Å; N23-L37 HydrophobicContact CB-CD2 4.09Å; N23-L37 HydrophobicContact CB-CG 4.1Å; N23-G66 PolarHBondContact ND2-O 3.19Å; N23-N68 PolarHBondContact ND2-OD1 2.99Å
24V89.3Confident85.5Confident1 Ų159.7 Ų59.71%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-83.8113.3-176.5178.90000110I27 V34 I63 G66 R67V24-I27 HydrophobicContact CG1-CG1 4.2Å; V24-V34 HydrophobicContact CB-CG1 4.34Å; V24-V34 HydrophobicContact CG2-CG1 3.89Å; V24-I63 HydrophobicContact CB-CG2 3.91Å; V24-I63 HydrophobicContact CG1-CG2 3.69Å; V24-I63 HydrophobicContact CG2-CG2 3.22Å; V24-G66 PolarHBondContact O-N 3.39Å; V24-R67 PolarHBondContact N-O 2.91Å
25R88.7Confident86.1Confident156 Ų15660 Ų6059%0.58930%0.297SS*.EExtended strand (participates in β ladder)trans-92.2-45.9-174.6-161.4-177.9-171-175.17.3112.3N23 Y33 E43 I65N23-R25 PolarHBondContact O-N 3.45Å; R25-Y33 PolarHBondContact N-O 2.96Å; R25-E43 IonicContact NH1-OE1 2.67Å; R25-E43 PolarHBondContact NH1-OE1 3.2Å; R25-I65 WeakPolarHBondContact O-CG2 3.37Å
26S88Confident86.4Confident60 Ų6053 Ų5342%0.4227%0.265SS..EExtended strand (participates in β ladder)trans-150.6152.2-179.7-171.10000111.1Y33S26-Y33 PolarHBondContact N-O 3.41Å; S26-Y33 VanDerWaalsContact N-O 3.13Å; S26-Y33 PolarHBondContact O-N 2.95Å; S26-Y33 VanDerWaalsContact O-O 3.11Å
27I85Confident86.2Confident39 Ų3950.7 Ų50.720%0.225%0.249CC..EExtended strand (participates in β ladder)trans-117.4123.7177.5-53.6173000107.1V24 I59 I65V24-I27 HydrophobicContact CG1-CG1 4.2Å; I27-I59 HydrophobicContact CG2-CD1 4.04Å; I27-I59 HydrophobicContact CG2-CG1 4.14Å; I27-I59 HydrophobicContact CG2-CG2 3.9Å; I27-I65 HydrophobicContact CD1-CG1 4.13Å; I27-I65 HydrophobicContact CG1-CG1 4.22Å
28A85Confident85.7Confident38 Ų3843.5 Ų43.531%0.31422%0.215SC..  trans-114.5170.7177.600000111.1M30 G31 Y33A28-M30 VanDerWaalsContact C-N 3.26Å; A28-M30 PolarHBondContact O-N 3.01Å; A28-G31 CarbonylContact C-O 3.57Å; A28-G31 WeakPolarHBondContact CA-O 3.38Å; A28-G31 PolarHBondContact N-O 2.9Å; A28-G31 PolarHBondContact O-N 2.71Å; A28-Y33 HydrophobicContact CB-CD2 4.15Å; A28-Y33 HydrophobicContact CB-CE2 3.75Å
29E79Confident85.3Confident193 Ų19341.9 Ų41.990%0.90221%0.206SC*.SBendtrans-66.3-24.9179-76.7-173.586.300113.8L48E29-L48 WeakPolarHBondContact O-CD1 3.49Å
30M81Confident84.9Confident157 Ų15744.6 Ų44.677%0.77322%0.22SC*.SBendtrans-96-11.3178.9-68.6-159.7162.900114.3A28 M45 L48A28-M30 VanDerWaalsContact C-N 3.26Å; A28-M30 PolarHBondContact O-N 3.01Å; M30-M45 HydrophobicContact CB-CE 4.02Å; M30-L48 WeakPolarHBondContact O-CD1 3.45Å
31G83.5Confident84.4Confident0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans167.6-177.9-178.100000113.2A28 I46A28-G31 CarbonylContact C-O 3.57Å; A28-G31 WeakPolarHBondContact CA-O 3.38Å; A28-G31 PolarHBondContact N-O 2.9Å; A28-G31 PolarHBondContact O-N 2.71Å; G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.45Å
32A86.5Confident84.2Confident1 Ų149.2 Ų49.21%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-104126.9172.500000110V34 M45 I46 I63A32-V34 HydrophobicContact CB-CG1 4.46Å; A32-M45 WeakPolarHBondContact O-CA 3.28Å; A32-I46 HydrophobicContact CB-CB 4.42Å; A32-I46 PolarHBondContact N-O 3.25Å; A32-I46 PolarHBondContact O-N 2.86Å; A32-I63 HydrophobicContact CB-CD1 3.83Å
33Y90Very high84.1Confident101 Ų10153.9 Ų53.940%0.39627%0.266SS..EExtended strand (participates in β ladder)trans-83.9124.2170-68.1-81.3000109R25 S26 A28 M45R25-Y33 PolarHBondContact N-O 2.96Å; S26-Y33 PolarHBondContact N-O 3.41Å; S26-Y33 VanDerWaalsContact N-O 3.13Å; S26-Y33 PolarHBondContact O-N 2.95Å; S26-Y33 VanDerWaalsContact O-O 3.11Å; A28-Y33 HydrophobicContact CB-CD2 4.15Å; A28-Y33 HydrophobicContact CB-CE2 3.75Å; Y33-M45 HydrophobicContact CE1-SD 4.49Å
34V90.4Very high84Confident2 Ų252.1 Ų52.11%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-127.9154.7-177.2-55.10000109.8V22 N23 V24 A32 G44 I46 L85V22-V34 HydrophobicContact CB-CB 3.92Å; V22-V34 HydrophobicContact CB-CG2 3.82Å; V22-V34 HydrophobicContact CG1-CG2 4.08Å; V22-V34 HydrophobicContact CG2-CB 3.91Å; V22-V34 HydrophobicContact CG2-CG1 4.15Å; V22-V34 HydrophobicContact CG2-CG2 3.88Å; N23-V34 CarbonylContact O-C 3.57Å; N23-V34 WeakPolarHBondContact O-CA 3.43Å; N23-V34 WeakPolarHBondContact O-CB 3.27Å; V24-V34 HydrophobicContact CB-CG1 4.34Å; V24-V34 HydrophobicContact CG2-CG1 3.89Å; A32-V34 HydrophobicContact CB-CG1 4.46Å; V34-G44 PolarHBondContact N-O 3.39Å; V34-G44 PolarHBondContact O-N 2.94Å; V34-I46 HydrophobicContact CG1-CD1 3.55Å; V34-I46 HydrophobicContact CG1-CG1 4.21Å; V34-I46 HydrophobicContact CG2-CD1 4.21Å; V34-I46 HydrophobicContact CG2-CG1 4.25Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å
35S88.9Confident84Confident11 Ų1154.2 Ų54.28%0.07727%0.268CS..EExtended strand (participates in β ladder)trans-109.7126.7174-66.40000109.1V22 N23 L37 I42V22-S35 CarbonylContact C-O 3.58Å; V22-S35 WeakPolarHBondContact CA-O 3.28Å; N23-S35 PolarHBondContact N-O 3.46Å; N23-S35 PolarHBondContact O-N 2.92Å; S35-L37 PolarHBondContact O-N 3.37Å; S35-I42 WeakPolarHBondContact CA-O 3.47Å
36L86.5Confident84Confident0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-75.3108.9175.7-72.976000108.8P14 V20 V22 E38 Y39 N41 I42 I83 L85P14-L36 HydrophobicContact CG-CD2 3.92Å; V20-L36 HydrophobicContact CG2-CD2 4.05Å; V20-L36 HydrophobicContact CG2-CG 4.4Å; V22-L36 HydrophobicContact CG1-CD1 4.28Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; L36-E38 PolarHBondContact O-N 3.27Å; L36-Y39 HydrophobicContact CB-CD2 4.42Å; L36-Y39 HydrophobicContact CD2-CD2 4Å; L36-Y39 PolarHBondContact O-N 2.96Å; L36-N41 WeakPolarHBondContact O-CA 3.47Å; L36-N41 PolarHBondContact O-N 3.06Å; L36-I42 WeakPolarHBondContact CD1-O 3.42Å; L36-I42 PolarHBondContact N-O 3.39Å; L36-I83 HydrophobicContact CD1-CD1 4.06Å; L36-I83 HydrophobicContact CD2-CD1 3.66Å; L36-L85 HydrophobicContact CD1-CD1 4.1Å
37L79.8Confident83.9Confident40 Ų4047.5 Ų47.521%0.20924%0.238CC..G310 helixtrans-65-30.6-176.6-68.5167.7000111.9F8 M21 N23 S35 F102F8-L37 WeakPolarHBondContact CE2-O 3.49Å; M21-L37 PolarHBondContact O-N 3.45Å; N23-L37 HydrophobicContact CB-CD1 4.15Å; N23-L37 HydrophobicContact CB-CD2 4.09Å; N23-L37 HydrophobicContact CB-CG 4.1Å; S35-L37 PolarHBondContact O-N 3.37Å; L37-F102 HydrophobicContact CB-CE2 3.7Å; L37-F102 HydrophobicContact CB-CZ 3.99Å; L37-F102 HydrophobicContact CD1-CE1 4.49Å; L37-F102 HydrophobicContact CD1-CE2 4.14Å; L37-F102 HydrophobicContact CD1-CZ 3.69Å; L37-F102 HydrophobicContact CG-CZ 4.48Å
38E73.9Confident83.6Confident0 Ų048.5 Ų48.50%024%0.244CC..G310 helixtrans-77.5-24.7-176.1-66.417690.700113.5F8 Y9 V20 M21 L36 F102F8-E38 VanDerWaalsContact CB-O 3.32Å; F8-E38 WeakPolarHBondContact CB-O 3.5Å; F8-E38 VanDerWaalsContact CD2-O 3.31Å; F8-E38 WeakPolarHBondContact CD2-O 3.25Å; F8-E38 PolarHBondContact N-O 3.29Å; Y9-E38 HydrophobicContact CD2-CB 4.38Å; Y9-E38 HydrophobicContact CE2-CB 3.82Å; Y9-E38 HydrophobicContact CE2-CG 4.22Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.26Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.38Å; Y9-E38 PolarHBondContact OH-OE1 2.72Å; V20-E38 WeakPolarHBondContact CA-OE2 3.35Å; M21-E38 PolarHBondContact N-OE2 2.96Å; L36-E38 PolarHBondContact O-N 3.27Å; E38-F102 HydrophobicContact CG-CD2 3.64Å; E38-F102 HydrophobicContact CG-CE2 3.96Å
39Y75.8Confident83.4Confident13 Ų1351.1 Ų51.15%0.05126%0.26CS..G310 helixtrans-116.352.4-174.3-63.3-91.7000110.8Y9 H11 P14 V20 L36 N41 I42Y9-Y39 AromaticContact CD2-CE1 3.92Å; Y9-Y39 HydrophobicContact CD2-CE1 3.92Å; Y9-Y39 HydrophobicContact CD2-CE2 4.07Å; Y9-Y39 AromaticContact CD2-CZ 3.61Å; Y9-Y39 HydrophobicContact CE2-CE2 4.32Å; H11-Y39 WeakPolarHBondContact O-CD1 3.15Å; H11-Y39 WeakPolarHBondContact O-CE1 3.4Å; P14-Y39 HydrophobicContact CB-CD2 4.4Å; P14-Y39 HydrophobicContact CB-CE1 4.22Å; P14-Y39 HydrophobicContact CB-CE2 3.73Å; P14-Y39 HydrophobicContact CG-CD2 4.43Å; P14-Y39 HydrophobicContact CG-CE2 4.24Å; V20-Y39 HydrophobicContact CG1-CE2 3.82Å; L36-Y39 HydrophobicContact CB-CD2 4.42Å; L36-Y39 HydrophobicContact CD2-CD2 4Å; L36-Y39 PolarHBondContact O-N 2.96Å; Y39-N41 VanDerWaalsContact C-N 3.3Å; Y39-N41 PolarHBondContact O-N 3.3Å; Y39-I42 WeakPolarHBondContact O-CD1 3.42Å; Y39-I42 WeakPolarHBondContact O-CG1 3.23Å; Y39-I42 PolarHBondContact O-N 3.31Å
40N76.2Confident83.5Confident72 Ų7243.6 Ų43.639%0.38523%0.225SC..THydrogen-bonded Turntrans57.436.2176.2-160.526.1000114.8S5 R7 I42S5-N40 WeakPolarHBondContact CB-OD1 3.5Å; S5-N40 PolarHBondContact O-OD1 2.77Å; S5-N40 VanDerWaalsContact O-OD1 3.1Å; S5-N40 PolarHBondContact OG-OD1 3.47Å; R7-N40 HydrophobicContact CB-CB 4.28Å; N40-I42 VanDerWaalsContact C-N 3.25Å; N40-I42 PolarHBondContact O-N 2.87Å
41N77.6Confident83.4Confident73 Ų7336.4 Ų36.439%0.3919%0.189SC..THydrogen-bonded Turntrans60.728.7178.7-53.2-77.6000114.6S5 L36 Y39 E43S5-N41 PolarHBondContact OG-ND2 2.81Å; L36-N41 WeakPolarHBondContact O-CA 3.47Å; L36-N41 PolarHBondContact O-N 3.06Å; Y39-N41 VanDerWaalsContact C-N 3.3Å; Y39-N41 PolarHBondContact O-N 3.3Å; N41-E43 PolarHBondContact O-N 2.97Å
42I83Confident83Confident37 Ų3737.9 Ų37.919%0.1920%0.2CC..EExtended strand (participates in β ladder)trans-53.2140.1171.1-68.2162.3000109.6K12 F13 S35 L36 Y39 N40 I83K12-I42 WeakPolarHBondContact O-CD1 3.36Å; F13-I42 HydrophobicContact CD1-CD1 4.14Å; F13-I42 HydrophobicContact CE1-CD1 4.18Å; S35-I42 WeakPolarHBondContact CA-O 3.47Å; L36-I42 WeakPolarHBondContact CD1-O 3.42Å; L36-I42 PolarHBondContact N-O 3.39Å; Y39-I42 WeakPolarHBondContact O-CD1 3.42Å; Y39-I42 WeakPolarHBondContact O-CG1 3.23Å; Y39-I42 PolarHBondContact O-N 3.31Å; N40-I42 VanDerWaalsContact C-N 3.25Å; N40-I42 PolarHBondContact O-N 2.87Å; I42-I83 HydrophobicContact CB-CD1 4.46Å; I42-I83 HydrophobicContact CG2-CD1 3.68Å; I42-I83 HydrophobicContact CG2-CG1 4.38Å
43E87Confident82.2Confident97 Ų9745.9 Ų45.945%0.45323%0.23SC..EExtended strand (participates in β ladder)trans-79126.6-179.6-59.5-169.2116.400110.4R25 N41R25-E43 IonicContact NH1-OE1 2.67Å; R25-E43 PolarHBondContact NH1-OE1 3.2Å; N41-E43 PolarHBondContact O-N 2.97Å
44G88.8Confident81.5Confident3 Ų351.2 Ų51.23%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-119.5159.5172.600000111.2V34 I83V34-G44 PolarHBondContact N-O 3.39Å; V34-G44 PolarHBondContact O-N 2.94Å; G44-I83 CarbonylContact C-O 3.53Å; G44-I83 VanDerWaalsContact CA-O 3.31Å; G44-I83 WeakPolarHBondContact CA-O 3.39Å
45M89.2Confident80.4Confident45 Ų4563.3 Ų63.322%0.22230%0.295CS..EExtended strand (participates in β ladder)trans-123131.6177.9-173.2176.617900110.1M30 A32 Y33 I83 L85M30-M45 HydrophobicContact CB-CE 4.02Å; A32-M45 WeakPolarHBondContact O-CA 3.28Å; Y33-M45 HydrophobicContact CE1-SD 4.49Å; M45-I83 PolarHBondContact N-O 2.87Å; M45-L85 PolarHBondContact O-N 2.97Å
46I88.7Confident79.3Confident2 Ų265.8 Ų65.81%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-104.5118.3170.5-56.6164.7000108G31 A32 V34 L51 V71 L85G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.45Å; A32-I46 HydrophobicContact CB-CB 4.42Å; A32-I46 PolarHBondContact N-O 3.25Å; A32-I46 PolarHBondContact O-N 2.86Å; V34-I46 HydrophobicContact CG1-CD1 3.55Å; V34-I46 HydrophobicContact CG1-CG1 4.21Å; V34-I46 HydrophobicContact CG2-CD1 4.21Å; V34-I46 HydrophobicContact CG2-CG1 4.25Å; I46-L51 HydrophobicContact CG2-CB 4.42Å; I46-L51 HydrophobicContact CG2-CD1 3.83Å; I46-V71 HydrophobicContact CD1-CG1 3.84Å; I46-V71 HydrophobicContact CG1-CG1 4.46Å; I46-L85 HydrophobicContact CG1-CB 3.68Å; I46-L85 HydrophobicContact CG1-CD1 4.25Å
47L85.2Confident78.6Confident73 Ų7377.9 Ų77.938%0.38235%0.352SS..EExtended strand (participates in β ladder)trans-68143172.5-81.481.6000110.6S49 E50 L51 D84L47-S49 PolarHBondContact O-N 2.94Å; L47-E50 HydrophobicContact CB-CB 4.46Å; L47-E50 CarbonylContact O-C 3.48Å; L47-E50 PolarHBondContact O-N 3.37Å; L47-L51 PolarHBondContact O-N 3.46Å; L47-D84 WeakPolarHBondContact CD1-OD1 3.47Å
48L79.3Confident78Confident60 Ų6079.7 Ų79.731%0.31437%0.368SS..G310 helixtrans-55.7-37.5176.6-76.3119.4000113E29 M30 E50 L51 I56 I59E29-L48 WeakPolarHBondContact O-CD1 3.49Å; M30-L48 WeakPolarHBondContact O-CD1 3.45Å; L48-E50 PolarHBondContact O-N 2.95Å; L48-L51 WeakPolarHBondContact O-CB 3.47Å; L48-L51 PolarHBondContact O-N 3.48Å; L48-I56 HydrophobicContact CD2-CD1 4.16Å; L48-I59 HydrophobicContact CD2-CD1 3.58Å; L48-I59 HydrophobicContact CG-CD1 4.17Å
49S81.2Confident77.9Confident94 Ų9481.3 Ų81.366%0.65738%0.377SS*.G310 helixtrans-63.7-27.3177.6-59.70000113.2L47L47-S49 PolarHBondContact O-N 2.94Å
50E81.3Confident77.7Confident34 Ų3485.9 Ų85.916%0.15940%0.402CS..G310 helixtrans-98.52.5-179.1-74.4-63.292.600112.8L47 L48 I74 S86 K87 R88 R89L47-E50 HydrophobicContact CB-CB 4.46Å; L47-E50 CarbonylContact O-C 3.48Å; L47-E50 PolarHBondContact O-N 3.37Å; L48-E50 PolarHBondContact O-N 2.95Å; E50-I74 HydrophobicContact CG-CD1 4Å; E50-S86 PolarHBondContact O-OG 3.38Å; E50-S86 WeakPolarHBondContact OE2-CB 3.36Å; E50-S86 PolarHBondContact OE2-OG 3.39Å; E50-K87 PolarHBondContact O-N 3.25Å; E50-R88 WeakPolarHBondContact O-CB 3.38Å; E50-R88 PolarHBondContact O-N 2.94Å; E50-R89 IonicContact OE2-NE 3.41Å; E50-R89 PolarHBondContact OE2-NE 2.93Å
51L79.5Confident77.6Confident6 Ų691.8 Ų91.83%0.03142%0.424CS..THydrogen-bonded Turntrans-80.7-36.9-178.8-171.171.6000113.5I46 L47 L48 I59 I63I46-L51 HydrophobicContact CG2-CB 4.42Å; I46-L51 HydrophobicContact CG2-CD1 3.83Å; L47-L51 PolarHBondContact O-N 3.46Å; L48-L51 WeakPolarHBondContact O-CB 3.47Å; L48-L51 PolarHBondContact O-N 3.48Å; L51-I59 HydrophobicContact CD2-CD1 3.64Å; L51-I59 HydrophobicContact CD2-CG1 3.75Å; L51-I63 HydrophobicContact CD1-CD1 3.16Å; L51-I63 HydrophobicContact CD1-CG1 3.69Å; L51-I63 HydrophobicContact CD2-CD1 3.52Å; L51-I63 HydrophobicContact CD2-CG1 3.81Å; L51-I63 HydrophobicContact CG-CD1 3.9Å; L51-I63 HydrophobicContact CG-CG1 4.2Å
52S73.2Confident77.3Confident32 Ų3291.7 Ų91.722%0.22442%0.423CS..  trans-150.2148.3-177.3-167.50000112.2R54S52-R54 VanDerWaalsContact C-N 3.28Å
53R70.8Confident77Confident168 Ų16890 Ų9063%0.63442%0.415SS*.SBendtrans-72.7-20.7174.5-67.9-179.9-171.6-1745.4112.9R88R53-R88 HydrophobicContact CG-CG 3.7Å; R53-R88 PolarHBondContact NE-O 2.87Å; R53-R88 PolarHBondContact NH2-O 2.95Å
54R74.4Confident76.7Confident214 Ų21492.6 Ų92.681%0.80842%0.42SS*.SBendtrans-108.5152.3-175.7-64-176.1-177.7-177.51.5111S52 I56S52-R54 VanDerWaalsContact C-N 3.28Å; R54-I56 PolarHBondContact O-N 3.38Å
55R68.2Low76.6Confident256 Ų25698 Ų9897%0.96645%0.447SS*.  trans-60.5121.8174.7-153179.5-162-179.95.3109.6
56I66.6Low76.4Confident62 Ų6298 Ų9832%0.31846%0.459SS..  trans-92.2131.7-174.847.6172.8000111.1L48 R54 L62L48-I56 HydrophobicContact CD2-CD1 4.16Å; R54-I56 PolarHBondContact O-N 3.38Å; I56-L62 HydrophobicContact CG2-CD1 3.37Å
57R70.1Confident76.3Confident254 Ų254104.7 Ų104.796%0.95848%0.484SS*.SBendtrans-82.9-36.5169.2-91-170.9-172.3-179.33112.5
58S68.9Low76.4Confident79 Ų79104.3 Ų104.355%0.55248%0.482SS*.  trans-150.5130.7179.4-58.80000110.7
59I70.5Confident76.8Confident34 Ų34103.3 Ų103.317%0.17448%0.476CS..G310 helixtrans-68.4-35.5-178.7-167.5144.5000112.8I27 L48 L51 K61 L62 I63I27-I59 HydrophobicContact CG2-CD1 4.04Å; I27-I59 HydrophobicContact CG2-CG1 4.14Å; I27-I59 HydrophobicContact CG2-CG2 3.9Å; L48-I59 HydrophobicContact CD2-CD1 3.58Å; L48-I59 HydrophobicContact CG-CD1 4.17Å; L51-I59 HydrophobicContact CD2-CD1 3.64Å; L51-I59 HydrophobicContact CD2-CG1 3.75Å; I59-K61 PolarHBondContact O-N 3.02Å; I59-L62 PolarHBondContact O-N 2.94Å; I59-I63 HydrophobicContact CD1-CD1 4.33Å; I59-I63 HydrophobicContact CG1-CD1 4.04Å; I59-I63 HydrophobicContact CG1-CG1 4.34Å; I59-I63 PolarHBondContact O-N 2.75Å; I59-I63 VanDerWaalsContact O-N 3.11Å
60N72.3Confident77.1Confident109 Ų10999.3 Ų99.358%0.58345%0.448SS*.G310 helixtrans-62.4-14.8-178.1-73.71.9000114.9I63N60-I63 CarbonylContact C-O 3.56Å; N60-I63 WeakPolarHBondContact CA-O 3.31Å
61K74.1Confident77.4Confident196 Ų19697.7 Ų97.785%0.85244%0.441SS*.G310 helixtrans-81.8-31.1177.2-167.9170.6-177.3175.40112.2I59I59-K61 PolarHBondContact O-N 3.02Å
62L71.5Confident77.9Confident71 Ų7198.2 Ų98.237%0.37244%0.444SS..THydrogen-bonded Turntrans-90.1-43.7-178.8-79.4156.8000111.2I56 I59I56-L62 HydrophobicContact CG2-CD1 3.37Å; I59-L62 PolarHBondContact O-N 2.94Å
63I75.9Confident78.7Confident2 Ų296.7 Ų96.71%0.0143%0.433CS..  trans-118.6132.9-179.3-26.9174.8000109V24 A32 L51 I59 N60V24-I63 HydrophobicContact CB-CG2 3.91Å; V24-I63 HydrophobicContact CG1-CG2 3.69Å; V24-I63 HydrophobicContact CG2-CG2 3.22Å; A32-I63 HydrophobicContact CB-CD1 3.83Å; L51-I63 HydrophobicContact CD1-CD1 3.16Å; L51-I63 HydrophobicContact CD1-CG1 3.69Å; L51-I63 HydrophobicContact CD2-CD1 3.52Å; L51-I63 HydrophobicContact CD2-CG1 3.81Å; L51-I63 HydrophobicContact CG-CD1 3.9Å; L51-I63 HydrophobicContact CG-CG1 4.2Å; I59-I63 HydrophobicContact CD1-CD1 4.33Å; I59-I63 HydrophobicContact CG1-CD1 4.04Å; I59-I63 HydrophobicContact CG1-CG1 4.34Å; I59-I63 PolarHBondContact O-N 2.75Å; I59-I63 VanDerWaalsContact O-N 3.11Å; N60-I63 CarbonylContact C-O 3.56Å; N60-I63 WeakPolarHBondContact CA-O 3.31Å
64R80.5Confident79.6Confident151 Ų15191.3 Ų91.357%0.5742%0.417SS*.  trans-114.7140.8167.2-74.9-174.7174.2-178.2-2.6109.2G66 R67R64-G66 PolarHBondContact O-N 2.92Å; R64-R67 HydrophobicContact CB-CB 4.49Å; R64-R67 HydrophobicContact CB-CG 4.01Å; R64-R67 WeakPolarHBondContact O-CB 3.39Å; R64-R67 PolarHBondContact O-N 3.39Å; R64-R67 VanDerWaalsContact O-N 3.09Å
65I87Confident80.2Confident116 Ų11688.3 Ų88.360%0.59541%0.405SS*.THydrogen-bonded Turntrans-55.5133.6170.4-58.6167.2000108.3R25 I27 R67R25-I65 WeakPolarHBondContact O-CG2 3.37Å; I27-I65 HydrophobicContact CD1-CG1 4.13Å; I27-I65 HydrophobicContact CG1-CG1 4.22Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.64Å
66G85.4Confident81.2Confident45 Ų4577.4 Ų77.446%0.46437%0.367SS..THydrogen-bonded Turntrans82.5-5.2-178.300000115.5N23 V24 R64N23-G66 PolarHBondContact ND2-O 3.19Å; V24-G66 PolarHBondContact O-N 3.39Å; R64-G66 PolarHBondContact O-N 2.92Å
67R86.6Confident82.2Confident142 Ų14277 Ų7754%0.53637%0.366SS..  trans-83.1149.8172.4-77-166.9173.6176.9-7.3111.6V24 R64 I65V24-R67 PolarHBondContact N-O 2.91Å; R64-R67 HydrophobicContact CB-CB 4.49Å; R64-R67 HydrophobicContact CB-CG 4.01Å; R64-R67 WeakPolarHBondContact O-CB 3.39Å; R64-R67 PolarHBondContact O-N 3.39Å; R64-R67 VanDerWaalsContact O-N 3.09Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.64Å
68N87.9Confident82.7Confident66 Ų6672.4 Ų72.435%0.35335%0.353SS..EExtended strand (participates in β ladder)trans-89.5138.2171.9-59.4-7000109.7M21 V22 N23M21-N68 HydrophobicContact CE-CB 3.55Å; M21-N68 HydrophobicContact CG-CB 4.25Å; V22-N68 CarbonylContact O-C 3.57Å; V22-N68 WeakPolarHBondContact O-CA 3.39Å; N23-N68 PolarHBondContact ND2-OD1 2.99Å
69E86.5Confident83.3Confident38 Ų3877.6 Ų77.618%0.17837%0.368CS..EExtended strand (participates in β ladder)trans-134.6145.7177.4-74.7-106.880.200110V22 K87V22-E69 HydrophobicContact CG2-CB 4.39Å; V22-E69 WeakPolarHBondContact CG2-O 3.26Å; V22-E69 PolarHBondContact N-O 3.35Å; V22-E69 PolarHBondContact O-N 3.29Å; E69-K87 VanDerWaalsContact OE1-CE 3.29Å; E69-K87 WeakPolarHBondContact OE1-CE 3.4Å; E69-K87 IonicContact OE1-NZ 3.15Å; E69-K87 PolarHBondContact OE1-NZ 3.39Å; E69-K87 WeakPolarHBondContact OE2-CD 3.23Å; E69-K87 VanDerWaalsContact OE2-CE 3.24Å; E69-K87 WeakPolarHBondContact OE2-CE 3.21Å; E69-K87 IonicContact OE2-NZ 3.04Å; E69-K87 PolarHBondContact OE2-NZ 3.15Å
70C87.5Confident83.6Confident11 Ų1183.7 Ų83.77%0.07439%0.393CS..EExtended strand (participates in β ladder)trans-84.8128170.4-58.30000109.4M21 V90 A95M21-C70 PolarHBondContact SD-SG 2.82Å; C70-V90 HydrophobicContact CB-CG1 4.46Å; C70-A95 HydrophobicContact CB-CB 4.11Å
71V89.2Confident83.8Confident0 Ų079.5 Ų79.50%038%0.375CS..EExtended strand (participates in β ladder)trans-138.9153.6178.4-67.50000110.1V20 V22 I46 L85 K87V20-V71 HydrophobicContact CG2-CG2 4.19Å; V20-V71 PolarHBondContact N-O 3.42Å; V20-V71 PolarHBondContact O-N 3.23Å; V22-V71 HydrophobicContact CB-CG2 4.13Å; V22-V71 HydrophobicContact CG1-CG2 3.43Å; V22-V71 VanDerWaalsContact CG1-CG2 3.43Å; V22-V71 HydrophobicContact CG2-CG1 4.12Å; V22-V71 HydrophobicContact CG2-CG2 3.56Å; I46-V71 HydrophobicContact CD1-CG1 3.84Å; I46-V71 HydrophobicContact CG1-CG1 4.46Å; V71-L85 HydrophobicContact CB-CB 4.31Å; V71-L85 HydrophobicContact CG2-CB 4.12Å; V71-L85 HydrophobicContact CG2-CD1 4.18Å; V71-L85 HydrophobicContact CG2-CD2 3.83Å; V71-L85 HydrophobicContact CG2-CG 4.27Å; V71-K87 HydrophobicContact CG1-CB 4.11Å
72V89.8Confident84.2Confident16 Ų1676.8 Ų76.810%0.09736%0.361CS..EExtended strand (participates in β ladder)trans-97.6143.1173.472.70000110.4E17 D18 V19 L85 S86 R89 V90E17-V72 VanDerWaalsContact O-CG2 3.31Å; E17-V72 WeakPolarHBondContact O-CG2 3.24Å; D18-V72 WeakPolarHBondContact O-CA 3.43Å; V19-V72 HydrophobicContact CG2-CB 4.44Å; V19-V72 HydrophobicContact CG2-CG2 4.24Å; V72-L85 CarbonylContact O-C 3.54Å; V72-L85 WeakPolarHBondContact O-CA 3.24Å; V72-S86 WeakPolarHBondContact CG1-O 3.36Å; V72-S86 PolarHBondContact N-O 2.97Å; V72-S86 PolarHBondContact O-N 3.28Å; V72-R89 HydrophobicContact CG1-CB 3.65Å; V72-R89 HydrophobicContact CG1-CG 4.4Å; V72-V90 HydrophobicContact CB-CG2 4.19Å
73V89.9Confident85Confident1 Ų173.5 Ų73.51%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-77.4123173.5179.30000109.6P14 E17 D18 V20 V76 I83 L85P14-V73 HydrophobicContact CB-CG2 3.9Å; P14-V73 HydrophobicContact CG-CG1 4.39Å; P14-V73 HydrophobicContact CG-CG2 3.78Å; E17-V73 WeakPolarHBondContact CA-O 2.94Å; E17-V73 PolarHBondContact N-O 3.3Å; D18-V73 PolarHBondContact O-N 2.78Å; V20-V73 HydrophobicContact CG1-CG2 4.41Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V73-V76 HydrophobicContact CG1-CG2 3.39Å; V73-I83 HydrophobicContact CG1-CG2 3.8Å; V73-I83 HydrophobicContact CG2-CG2 4.19Å; V73-L85 HydrophobicContact CG2-CD2 3.8Å
74I89.4Confident85.7Confident55 Ų5575.6 Ų75.628%0.28236%0.355SS..EExtended strand (participates in β ladder)trans-92.8-47.2175.9-50.6170000110E50 D84 S86E50-I74 HydrophobicContact CG-CD1 4Å; I74-D84 PolarHBondContact N-O 2.96Å; I74-S86 VanDerWaalsContact CD1-CB 3.48Å
75R87.5Confident86.2Confident150 Ų15068.4 Ų68.457%0.56633%0.328SS*.EExtended strand (participates in β ladder)trans-147.1141.5-171.3-158.6179.6-145-121.64.7109.9D77 D84R75-D77 IonicContact NH1-OD2 3.17Å; R75-D77 PolarHBondContact NH1-OD2 3.4Å; R75-D84 HydrophobicContact CB-CB 4.07Å; R75-D84 PolarHBondContact N-O 3.44Å; R75-D84 PolarHBondContact O-N 2.89Å
76V87.6Confident86.2Confident28 Ų2862.9 Ų62.917%0.1730%0.299CS..EExtended strand (participates in β ladder)trans-126.6116.5177.9-179.10000108.2F13 P14 V73 K78 I83F13-V76 HydrophobicContact CB-CG1 3.92Å; F13-V76 HydrophobicContact CD1-CG1 4.28Å; F13-V76 HydrophobicContact CG-CG1 4.25Å; P14-V76 HydrophobicContact CG-CG2 4.46Å; V73-V76 HydrophobicContact CG1-CG2 3.39Å; V76-K78 HydrophobicContact CG1-CG 4.14Å; V76-I83 HydrophobicContact CG1-CG1 4.46Å; V76-I83 HydrophobicContact CG2-CG2 4.3Å
77D87.6Confident86.2Confident54 Ų5463.2 Ų63.229%0.28929%0.288SS..EExtended strand (participates in β ladder)trans-96.391.6173.1-100.9-84.5000108.7R75 E79 K80 G81 Y82R75-D77 IonicContact NH1-OD2 3.17Å; R75-D77 PolarHBondContact NH1-OD2 3.4Å; D77-E79 PolarHBondContact O-N 2.88Å; D77-K80 PolarHBondContact O-N 3.3Å; D77-G81 WeakPolarHBondContact O-CA 3.37Å; D77-G81 PolarHBondContact O-N 3.28Å; D77-Y82 PolarHBondContact N-O 3.41Å; D77-Y82 PolarHBondContact O-N 2.99Å
78K81.1Confident86Confident157 Ų15762.1 Ų62.168%0.68328%0.284SS*.THydrogen-bonded Turntrans-61.4-25.5-174.7-65.5179.8-178177.80113.7F13 V76F13-K78 HydrophobicContact CD2-CG 4.37Å; V76-K78 HydrophobicContact CG1-CG 4.14Å
79E81.6Confident85.6Confident188 Ų18866 Ų6688%0.87929%0.294SS*.THydrogen-bonded Turntrans-75.7-40.2-178-60.8-170.589.300112.4D77D77-E79 PolarHBondContact O-N 2.88Å
80K77.5Confident85.4Confident162 Ų16265.2 Ų65.270%0.70429%0.292SS*.THydrogen-bonded Turntrans-100.1-11.9-178.1-65.4-173.1178.6-1790113.3D77 Y82D77-K80 PolarHBondContact O-N 3.3Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.4Å; K80-Y82 HydrophobicContact CB-CE2 3.69Å; K80-Y82 HydrophobicContact CB-CG 4.41Å; K80-Y82 HydrophobicContact CD-CD2 4.06Å; K80-Y82 HydrophobicContact CD-CE2 4.01Å; K80-Y82 HydrophobicContact CG-CD2 4.37Å; K80-Y82 HydrophobicContact CG-CE2 4.44Å; K80-Y82 PolarHBondContact O-N 3.44Å
81G76.5Confident85.3Confident20 Ų2067 Ų6721%0.20630%0.304CS..THydrogen-bonded Turntrans73.216.8-17700000114D77D77-G81 WeakPolarHBondContact O-CA 3.37Å; D77-G81 PolarHBondContact O-N 3.28Å
82Y83Confident84.9Confident140 Ų14071.8 Ų71.855%0.54934%0.335SS..EExtended strand (participates in β ladder)trans-86.8138.4176.3-66.3-61000111D77 K80D77-Y82 PolarHBondContact N-O 3.41Å; D77-Y82 PolarHBondContact O-N 2.99Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.4Å; K80-Y82 HydrophobicContact CB-CE2 3.69Å; K80-Y82 HydrophobicContact CB-CG 4.41Å; K80-Y82 HydrophobicContact CD-CD2 4.06Å; K80-Y82 HydrophobicContact CD-CE2 4.01Å; K80-Y82 HydrophobicContact CG-CD2 4.37Å; K80-Y82 HydrophobicContact CG-CE2 4.44Å; K80-Y82 PolarHBondContact O-N 3.44Å
83I88.2Confident84.8Confident1 Ų177.9 Ų77.91%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-125.2119.4178.6-55.3170.7000108.2P14 L36 I42 G44 M45 V73 V76 L85P14-I83 HydrophobicContact CG-CD1 3.95Å; L36-I83 HydrophobicContact CD1-CD1 4.06Å; L36-I83 HydrophobicContact CD2-CD1 3.66Å; I42-I83 HydrophobicContact CB-CD1 4.46Å; I42-I83 HydrophobicContact CG2-CD1 3.68Å; I42-I83 HydrophobicContact CG2-CG1 4.38Å; G44-I83 CarbonylContact C-O 3.53Å; G44-I83 VanDerWaalsContact CA-O 3.31Å; G44-I83 WeakPolarHBondContact CA-O 3.39Å; M45-I83 PolarHBondContact N-O 2.87Å; V73-I83 HydrophobicContact CG1-CG2 3.8Å; V73-I83 HydrophobicContact CG2-CG2 4.19Å; V76-I83 HydrophobicContact CG1-CG1 4.46Å; V76-I83 HydrophobicContact CG2-CG2 4.3Å; I83-L85 HydrophobicContact CG2-CD2 3.79Å; I83-L85 HydrophobicContact CG2-CG 4.08Å
84D90Very high84.5Confident46 Ų4681.8 Ų81.825%0.24638%0.381CS..EExtended strand (participates in β ladder)trans-86.4127.3172.3-73.4-71000109.7L47 I74 R75L47-D84 WeakPolarHBondContact CD1-OD1 3.47Å; I74-D84 PolarHBondContact N-O 2.96Å; R75-D84 HydrophobicContact CB-CB 4.07Å; R75-D84 PolarHBondContact N-O 3.44Å; R75-D84 PolarHBondContact O-N 2.89Å
85L89.7Confident84.3Confident0 Ų080.2 Ų80.20%038%0.376CS..EExtended strand (participates in β ladder)trans-121.3149.1-171.6-62.1161.9000110.8V20 V22 V34 L36 M45 I46 V71 V72 V73 I83V20-L85 HydrophobicContact CG2-CD2 4.21Å; V22-L85 HydrophobicContact CG1-CD1 4.13Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å; L36-L85 HydrophobicContact CD1-CD1 4.1Å; M45-L85 PolarHBondContact O-N 2.97Å; I46-L85 HydrophobicContact CG1-CB 3.68Å; I46-L85 HydrophobicContact CG1-CD1 4.25Å; V71-L85 HydrophobicContact CB-CB 4.31Å; V71-L85 HydrophobicContact CG2-CB 4.12Å; V71-L85 HydrophobicContact CG2-CD1 4.18Å; V71-L85 HydrophobicContact CG2-CD2 3.83Å; V71-L85 HydrophobicContact CG2-CG 4.27Å; V72-L85 CarbonylContact O-C 3.54Å; V72-L85 WeakPolarHBondContact O-CA 3.24Å; V73-L85 HydrophobicContact CG2-CD2 3.8Å; I83-L85 HydrophobicContact CG2-CD2 3.79Å; I83-L85 HydrophobicContact CG2-CG 4.08Å
86S88.4Confident84.2Confident0 Ų078.9 Ų78.90%038%0.379CS..EExtended strand (participates in β ladder)trans-130.7130.5176.1-1780000111.7E50 V72 I74 R88E50-S86 PolarHBondContact O-OG 3.38Å; E50-S86 WeakPolarHBondContact OE2-CB 3.36Å; E50-S86 PolarHBondContact OE2-OG 3.39Å; V72-S86 WeakPolarHBondContact CG1-O 3.36Å; V72-S86 PolarHBondContact N-O 2.97Å; V72-S86 PolarHBondContact O-N 3.28Å; I74-S86 VanDerWaalsContact CD1-CB 3.48Å; S86-R88 PolarHBondContact OG-N 2.96Å
87K84.3Confident84.2Confident53 Ų5383.6 Ų83.623%0.2340%0.397CS..SBendtrans-88.7-28.2169-169.6179.9-178-178.50111.4E50 E69 V71 R89 V90E50-K87 PolarHBondContact O-N 3.25Å; E69-K87 VanDerWaalsContact OE1-CE 3.29Å; E69-K87 WeakPolarHBondContact OE1-CE 3.4Å; E69-K87 IonicContact OE1-NZ 3.15Å; E69-K87 PolarHBondContact OE1-NZ 3.39Å; E69-K87 WeakPolarHBondContact OE2-CD 3.23Å; E69-K87 VanDerWaalsContact OE2-CE 3.24Å; E69-K87 WeakPolarHBondContact OE2-CE 3.21Å; E69-K87 IonicContact OE2-NZ 3.04Å; E69-K87 PolarHBondContact OE2-NZ 3.15Å; V71-K87 HydrophobicContact CG1-CB 4.11Å; K87-R89 VanDerWaalsContact C-N 3.27Å; K87-R89 PolarHBondContact O-N 3.01Å; K87-V90 PolarHBondContact O-N 2.86Å
88R82.1Confident84Confident118 Ų11881.2 Ų81.245%0.44539%0.385SS..THydrogen-bonded Turntrans-59.6-35.1-173.8171.5170.2176.6159.7-2.4113.7E50 R53 S86E50-R88 WeakPolarHBondContact O-CB 3.38Å; E50-R88 PolarHBondContact O-N 2.94Å; R53-R88 HydrophobicContact CG-CG 3.7Å; R53-R88 PolarHBondContact NE-O 2.87Å; R53-R88 PolarHBondContact NH2-O 2.95Å; S86-R88 PolarHBondContact OG-N 2.96Å
89R80.5Confident84.2Confident147 Ų14779 Ų7956%0.55538%0.377SS*.THydrogen-bonded Turntrans-84-15.5-175-63.6-179.4-171.2-149.20.3113.5E50 V72 K87 S91E50-R89 IonicContact OE2-NE 3.41Å; E50-R89 PolarHBondContact OE2-NE 2.93Å; V72-R89 HydrophobicContact CG1-CB 3.65Å; V72-R89 HydrophobicContact CG1-CG 4.4Å; K87-R89 VanDerWaalsContact C-N 3.27Å; K87-R89 PolarHBondContact O-N 3.01Å; R89-S91 PolarHBondContact O-N 2.84Å
90V82.7Confident84.4Confident23 Ų2373.1 Ų73.114%0.13935%0.351CS..  trans-70.2123.2178.3168.80000110.2V19 C70 V72 K87 E94 A95V19-V90 HydrophobicContact CG1-CG2 4.21Å; C70-V90 HydrophobicContact CB-CG1 4.46Å; V72-V90 HydrophobicContact CB-CG2 4.19Å; K87-V90 PolarHBondContact O-N 2.86Å; V90-E94 HydrophobicContact CG1-CB 4.47Å; V90-A95 HydrophobicContact CG1-CB 3.84Å
91S83.9Confident84.7Confident49 Ų4966.3 Ų66.334%0.34332%0.322SS..  trans-80.5153167.1-74.20000110.3R89 E93 E94 A95R89-S91 PolarHBondContact O-N 2.84Å; S91-E93 PolarHBondContact O-N 3.15Å; S91-E94 WeakPolarHBondContact O-CB 3.3Å; S91-E94 PolarHBondContact O-N 3.47Å; S91-E94 VanDerWaalsContact O-N 3.09Å; S91-A95 PolarHBondContact O-N 2.82Å
92P82.6Confident85Confident100 Ų10066.1 Ų66.165%0.64932%0.315SS*.Hα-helixtrans-59-34.2177.624.1-33.5000112.4A95 I96P92-A95 PolarHBondContact O-N 3.04Å; P92-I96 WeakPolarHBondContact O-CD1 3.39Å; P92-I96 VanDerWaalsContact O-CG1 3.28Å; P92-I96 WeakPolarHBondContact O-CG1 3.48Å; P92-I96 PolarHBondContact O-N 2.92Å; P92-I96 VanDerWaalsContact O-N 3.09Å
93E86.7Confident85.1Confident143 Ų14363 Ų6367%0.66831%0.311SS*.Hα-helixtrans-64.6-39.9175.6-62.9179.192.200112.6S91 I96 K97S91-E93 PolarHBondContact O-N 3.15Å; E93-I96 PolarHBondContact O-N 2.79Å; E93-K97 WeakPolarHBondContact O-CG 3.29Å; E93-K97 PolarHBondContact O-N 3.17Å; E93-K97 VanDerWaalsContact O-N 3.09Å
94E84.6Confident84.9Confident83 Ų8365.2 Ų65.239%0.38832%0.321SS..Hα-helixtrans-68-39.3176.8-65.3-91.690.100110.8V19 V90 S91 I96 K97 C98V19-E94 HydrophobicContact CG2-CB 4.46Å; V90-E94 HydrophobicContact CG1-CB 4.47Å; S91-E94 WeakPolarHBondContact O-CB 3.3Å; S91-E94 PolarHBondContact O-N 3.47Å; S91-E94 VanDerWaalsContact O-N 3.09Å; E94-I96 PolarHBondContact O-N 2.8Å; E94-K97 PolarHBondContact O-N 2.77Å; E94-C98 VanDerWaalsContact O-CB 3.29Å; E94-C98 WeakPolarHBondContact O-CB 3.49Å; E94-C98 PolarHBondContact O-N 2.87Å
95A83.9Confident84.5Confident23 Ų2363.4 Ų63.419%0.1931%0.312CS..Hα-helixtrans-60.4-45.6175.300000111.4C70 V90 S91 P92 K97 C98 E99C70-A95 HydrophobicContact CB-CB 4.11Å; V90-A95 HydrophobicContact CG1-CB 3.84Å; S91-A95 PolarHBondContact O-N 2.82Å; P92-A95 PolarHBondContact O-N 3.04Å; A95-K97 PolarHBondContact O-N 3.13Å; A95-C98 WeakPolarHBondContact O-CB 3.33Å; A95-C98 PolarHBondContact O-N 3.34Å; A95-E99 WeakPolarHBondContact O-CB 3.5Å; A95-E99 PolarHBondContact O-N 2.85Å
96I86.8Confident84.2Confident121 Ų12169.1 Ų69.162%0.62134%0.336SS*.Hα-helixtrans-63.2-44.5178.4-63.5158.9000110.7P92 E93 E94 C98 E99 D100P92-I96 WeakPolarHBondContact O-CD1 3.39Å; P92-I96 VanDerWaalsContact O-CG1 3.28Å; P92-I96 WeakPolarHBondContact O-CG1 3.48Å; P92-I96 PolarHBondContact O-N 2.92Å; P92-I96 VanDerWaalsContact O-N 3.09Å; E93-I96 PolarHBondContact O-N 2.79Å; E94-I96 PolarHBondContact O-N 2.8Å; I96-C98 VanDerWaalsContact C-N 3.32Å; I96-C98 PolarHBondContact O-N 3.32Å; I96-E99 PolarHBondContact O-N 3.38Å; I96-D100 PolarHBondContact O-N 3.11Å
97K85.7Confident84Confident127 Ų12771.1 Ų71.155%0.55235%0.349SS*.Hα-helixtrans-61.8-40.3176.4-74.7178.8-177175.20112.3E93 E94 A95 K101 Y147E93-K97 WeakPolarHBondContact O-CG 3.29Å; E93-K97 PolarHBondContact O-N 3.17Å; E93-K97 VanDerWaalsContact O-N 3.09Å; E94-K97 PolarHBondContact O-N 2.77Å; A95-K97 PolarHBondContact O-N 3.13Å; K97-K101 WeakPolarHBondContact O-CB 3.03Å; K97-K101 PolarHBondContact O-N 2.96Å; K97-Y147 PolarHBondContact O-OH 2.93Å
98C83.6Confident83.9Confident4 Ų468.9 Ų68.93%0.02734%0.34CS..Hα-helixtrans-66-41.7176.5-176.60000111.4V19 E94 A95 I96 D100 K101 F102V19-C98 HydrophobicContact CB-CB 4.43Å; V19-C98 HydrophobicContact CG1-CB 3.73Å; E94-C98 VanDerWaalsContact O-CB 3.29Å; E94-C98 WeakPolarHBondContact O-CB 3.49Å; E94-C98 PolarHBondContact O-N 2.87Å; A95-C98 WeakPolarHBondContact O-CB 3.33Å; A95-C98 PolarHBondContact O-N 3.34Å; I96-C98 VanDerWaalsContact C-N 3.32Å; I96-C98 PolarHBondContact O-N 3.32Å; C98-D100 VanDerWaalsContact C-N 3.34Å; C98-K101 PolarHBondContact O-N 3.43Å; C98-F102 VanDerWaalsContact O-CB 3.26Å; C98-F102 WeakPolarHBondContact O-CB 3.49Å; C98-F102 PolarHBondContact O-N 2.95Å
99E86.1Confident84Confident110 Ų11064.5 Ų64.551%0.51432%0.323SS..Hα-helixtrans-66.3-38.6179.4-148174.4104.100111.3M21 A95 I96 T103M21-E99 HydrophobicContact CE-CG 4.17Å; A95-E99 WeakPolarHBondContact O-CB 3.5Å; A95-E99 PolarHBondContact O-N 2.85Å; I96-E99 PolarHBondContact O-N 3.38Å; E99-T103 VanDerWaalsContact O-CB 3.31Å; E99-T103 WeakPolarHBondContact O-CB 3.38Å; E99-T103 PolarHBondContact O-N 3.43Å; E99-T103 PolarHBondContact O-OG1 2.79Å
100D85.5Confident84.1Confident65 Ų6559.5 Ų59.535%0.34831%0.311SS..Hα-helixtrans-67.3-45.5173.2-170.3-102.9000112I96 C98 F102 T103 K104 Y147I96-D100 PolarHBondContact O-N 3.11Å; C98-D100 VanDerWaalsContact C-N 3.34Å; D100-F102 VanDerWaalsContact C-N 3.35Å; D100-F102 PolarHBondContact O-N 3.02Å; D100-T103 PolarHBondContact O-N 3.5Å; D100-K104 WeakPolarHBondContact O-CG 3.48Å; D100-K104 PolarHBondContact O-N 3.09Å; D100-K104 WeakPolarHBondContact OD1-CD 3.22Å; D100-K104 WeakPolarHBondContact OD1-CE 3.2Å; D100-K104 IonicContact OD1-NZ 2.82Å; D100-K104 PolarHBondContact OD1-NZ 3.15Å; D100-K104 IonicContact OD2-NZ 3.3Å; D100-Y147 VanDerWaalsContact OD1-CE1 3.25Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.42Å; D100-Y147 VanDerWaalsContact OD1-CZ 3.29Å; D100-Y147 PolarHBondContact OD1-OH 3.35Å
101K83.5Confident84.1Confident19 Ų1958.4 Ų58.48%0.08330%0.304CS..Hα-helixtrans-54.2-52173.1-173.7-175.8177.8-168.20110.3Y9 D18 K97 C98 T103 K104 S105 P145 Y147Y9-K101 VanDerWaalsContact OH-CE 3.25Å; Y9-K101 WeakPolarHBondContact OH-CE 3.43Å; D18-K101 IonicContact OD1-NZ 2.79Å; D18-K101 PolarHBondContact OD1-NZ 2.91Å; D18-K101 IonicContact OD2-NZ 3.04Å; K97-K101 WeakPolarHBondContact O-CB 3.03Å; K97-K101 PolarHBondContact O-N 2.96Å; C98-K101 PolarHBondContact O-N 3.43Å; K101-T103 PolarHBondContact O-N 3.09Å; K101-K104 PolarHBondContact O-N 3.38Å; K101-S105 VanDerWaalsContact O-CB 3.26Å; K101-S105 WeakPolarHBondContact O-CB 3.37Å; K101-S105 PolarHBondContact O-N 3.48Å; K101-S105 PolarHBondContact O-OG 3.23Å; K101-S105 VanDerWaalsContact O-OG 3.12Å; K101-P145 VanDerWaalsContact CE-O 3.26Å; K101-P145 WeakPolarHBondContact CE-O 3.45Å; K101-Y147 HydrophobicContact CB-CD2 4.44Å; K101-Y147 HydrophobicContact CB-CE2 3.78Å; K101-Y147 HydrophobicContact CG-CD2 4.36Å; K101-Y147 HydrophobicContact CG-CE2 4.14Å
102F83.1Confident84Confident16 Ų1656.1 Ų56.17%0.0729%0.288CS..Hα-helixtrans-62-42-179.9-178.1-101.9000111.9M21 L37 E38 C98 D100 K106M21-F102 HydrophobicContact CB-CB 4.14Å; M21-F102 HydrophobicContact CB-CD1 4.4Å; M21-F102 HydrophobicContact CB-CD2 3.61Å; M21-F102 HydrophobicContact CB-CE2 4.12Å; M21-F102 HydrophobicContact CB-CG 3.78Å; M21-F102 HydrophobicContact CG-CB 4.49Å; M21-F102 HydrophobicContact CG-CD1 4.08Å; M21-F102 HydrophobicContact CG-CD2 4.15Å; M21-F102 HydrophobicContact CG-CE1 4.38Å; M21-F102 HydrophobicContact CG-CE2 4.45Å; M21-F102 HydrophobicContact CG-CG 3.96Å; L37-F102 HydrophobicContact CB-CE2 3.7Å; L37-F102 HydrophobicContact CB-CZ 3.99Å; L37-F102 HydrophobicContact CD1-CE1 4.49Å; L37-F102 HydrophobicContact CD1-CE2 4.14Å; L37-F102 HydrophobicContact CD1-CZ 3.69Å; L37-F102 HydrophobicContact CG-CZ 4.48Å; E38-F102 HydrophobicContact CG-CD2 3.64Å; E38-F102 HydrophobicContact CG-CE2 3.96Å; C98-F102 VanDerWaalsContact O-CB 3.26Å; C98-F102 WeakPolarHBondContact O-CB 3.49Å; C98-F102 PolarHBondContact O-N 2.95Å; D100-F102 VanDerWaalsContact C-N 3.35Å; D100-F102 PolarHBondContact O-N 3.02Å; F102-K106 HydrophobicContact CE1-CD 3.96Å; F102-K106 HydrophobicContact CZ-CD 4.34Å; F102-K106 WeakPolarHBondContact O-CB 3.34Å; F102-K106 PolarHBondContact O-N 3.34Å
103T84.7Confident84Confident76 Ų7656.2 Ų56.247%0.46628%0.276SS..Hα-helixtrans-64.6-42.1179.6-61.30000111.8E99 D100 K101 K106 T107E99-T103 VanDerWaalsContact O-CB 3.31Å; E99-T103 WeakPolarHBondContact O-CB 3.38Å; E99-T103 PolarHBondContact O-N 3.43Å; E99-T103 PolarHBondContact O-OG1 2.79Å; D100-T103 PolarHBondContact O-N 3.5Å; K101-T103 PolarHBondContact O-N 3.09Å; T103-K106 PolarHBondContact O-N 2.59Å; T103-T107 PolarHBondContact O-N 3.04Å; T103-T107 PolarHBondContact O-OG1 2.82Å
104K83.9Confident83.8Confident47 Ų4752.6 Ų52.620%0.20426%0.258CS..Hα-helixtrans-65.3-51.9175.9-74.6173.7176164.90111.7D100 K101 K106 T107 V108 Y147 Y150D100-K104 WeakPolarHBondContact O-CG 3.48Å; D100-K104 PolarHBondContact O-N 3.09Å; D100-K104 WeakPolarHBondContact OD1-CD 3.22Å; D100-K104 WeakPolarHBondContact OD1-CE 3.2Å; D100-K104 IonicContact OD1-NZ 2.82Å; D100-K104 PolarHBondContact OD1-NZ 3.15Å; D100-K104 IonicContact OD2-NZ 3.3Å; K101-K104 PolarHBondContact O-N 3.38Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.31Å; K104-T107 WeakPolarHBondContact O-CB 3.48Å; K104-T107 PolarHBondContact O-N 2.89Å; K104-T107 VanDerWaalsContact O-N 3.11Å; K104-V108 PolarHBondContact O-N 2.79Å; K104-Y147 HydrophobicContact CD-CD1 3.91Å; K104-Y147 HydrophobicContact CD-CE1 4Å; K104-Y147 HydrophobicContact CD-CG 4.41Å; K104-Y150 HydrophobicContact CB-CD1 4.45Å; K104-Y150 HydrophobicContact CB-CD2 4.06Å; K104-Y150 HydrophobicContact CB-CG 3.86Å; K104-Y150 HydrophobicContact CD-CD1 4.09Å; K104-Y150 HydrophobicContact CD-CG 4.32Å; K104-Y150 HydrophobicContact CG-CD1 3.93Å; K104-Y150 HydrophobicContact CG-CD2 4.13Å; K104-Y150 HydrophobicContact CG-CE1 4.34Å; K104-Y150 HydrophobicContact CG-CG 3.83Å
105S83.1Confident83.6Confident8 Ų848.7 Ų48.76%0.05624%0.24CC..Hα-helixtrans-55-44.6174.9-72.60000111.6F8 Y9 K101 T107 V108 Y109 G146F8-S105 VanDerWaalsContact CE1-C 3.46Å; F8-S105 VanDerWaalsContact CE1-O 3.29Å; F8-S105 WeakPolarHBondContact CE1-O 3.35Å; Y9-S105 PolarHBondContact OH-OG 2.98Å; K101-S105 VanDerWaalsContact O-CB 3.26Å; K101-S105 WeakPolarHBondContact O-CB 3.37Å; K101-S105 PolarHBondContact O-N 3.48Å; K101-S105 PolarHBondContact O-OG 3.23Å; K101-S105 VanDerWaalsContact O-OG 3.12Å; S105-T107 VanDerWaalsContact C-N 3.34Å; S105-T107 PolarHBondContact O-N 3.39Å; S105-V108 PolarHBondContact O-N 3.02Å; S105-Y109 WeakPolarHBondContact O-CB 3.34Å; S105-Y109 PolarHBondContact O-N 2.93Å; S105-G146 VanDerWaalsContact OG-CA 3.3Å; S105-G146 WeakPolarHBondContact OG-CA 3.42Å
106K83.4Confident83.5Confident119 Ų11947.7 Ų47.752%0.51723%0.232SC..Hα-helixtrans-62.3-39.3177.3-174.9178.3177.7-175.70112.5F102 T103 K104 Y109 S110F102-K106 HydrophobicContact CE1-CD 3.96Å; F102-K106 HydrophobicContact CZ-CD 4.34Å; F102-K106 WeakPolarHBondContact O-CB 3.34Å; F102-K106 PolarHBondContact O-N 3.34Å; T103-K106 PolarHBondContact O-N 2.59Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.31Å; K106-Y109 PolarHBondContact O-N 3.43Å; K106-S110 WeakPolarHBondContact O-CB 3.44Å; K106-S110 PolarHBondContact O-N 3.09Å
107T83.1Confident83.3Confident42 Ų4247.9 Ų47.926%0.25823%0.23SC..Hα-helixtrans-62.3-49.7175-540000110.6T103 K104 S105 Y109 S110 I111 Y150T103-T107 PolarHBondContact O-N 3.04Å; T103-T107 PolarHBondContact O-OG1 2.82Å; K104-T107 WeakPolarHBondContact O-CB 3.48Å; K104-T107 PolarHBondContact O-N 2.89Å; K104-T107 VanDerWaalsContact O-N 3.11Å; S105-T107 VanDerWaalsContact C-N 3.34Å; S105-T107 PolarHBondContact O-N 3.39Å; T107-Y109 VanDerWaalsContact C-N 3.34Å; T107-Y109 PolarHBondContact O-N 3.29Å; T107-S110 PolarHBondContact O-N 3.41Å; T107-I111 HydrophobicContact CG2-CD1 4.09Å; T107-I111 WeakPolarHBondContact O-CG1 3.21Å; T107-I111 PolarHBondContact O-N 2.95Å; T107-Y150 HydrophobicContact CG2-CD2 4.43Å; T107-Y150 HydrophobicContact CG2-CE2 3.99Å
108V83.3Confident83.2Confident6 Ų645.5 Ų45.54%0.03623%0.226CC..Hα-helixtrans-58.1-46.6176.3173.30000110.8K104 S105 S110 I111 L112 A135 A149 Y150 F153K104-V108 PolarHBondContact O-N 2.79Å; S105-V108 PolarHBondContact O-N 3.02Å; V108-S110 VanDerWaalsContact C-N 3.33Å; V108-S110 PolarHBondContact O-N 3.35Å; V108-I111 WeakPolarHBondContact O-CB 3.48Å; V108-I111 PolarHBondContact O-N 3.5Å; V108-L112 HydrophobicContact CG1-CD1 3.57Å; V108-L112 WeakPolarHBondContact O-CD1 3.44Å; V108-L112 PolarHBondContact O-N 3.24Å; V108-A135 HydrophobicContact CG1-CB 4.29Å; V108-A149 HydrophobicContact CG1-CB 4.24Å; V108-A149 HydrophobicContact CG2-CB 4.39Å; V108-Y150 HydrophobicContact CG2-CD2 4.2Å; V108-F153 HydrophobicContact CG1-CD2 4.49Å; V108-F153 HydrophobicContact CG1-CE2 4.08Å; V108-F153 HydrophobicContact CG1-CZ 4.33Å; V108-F153 HydrophobicContact CG2-CD2 4.41Å
109Y83Confident82.9Confident27 Ų2747.4 Ų47.411%0.10624%0.236CC..Hα-helixtrans-60.2-42.7176.8-178.4-84.6000112.7L4 C6 F8 S105 K106 T107 I111 L112 R113 F131L4-Y109 PolarHBondContact O-OH 2.98Å; C6-Y109 HydrophobicContact CB-CE2 4.01Å; C6-Y109 PolarHBondContact N-OH 3.43Å; C6-Y109 VanDerWaalsContact O-CE2 3.31Å; C6-Y109 WeakPolarHBondContact O-CE2 3.47Å; F8-Y109 HydrophobicContact CD1-CD2 4.32Å; F8-Y109 HydrophobicContact CD1-CG 4.46Å; F8-Y109 HydrophobicContact CD2-CD2 4.11Å; F8-Y109 AromaticContact CE1-CD2 4Å; F8-Y109 HydrophobicContact CE1-CD2 4Å; F8-Y109 AromaticContact CE1-CG 3.76Å; F8-Y109 HydrophobicContact CE1-CG 3.76Å; F8-Y109 AromaticContact CE2-CD2 3.71Å; F8-Y109 HydrophobicContact CE2-CD2 3.71Å; F8-Y109 HydrophobicContact CE2-CE2 4.14Å; F8-Y109 HydrophobicContact CE2-CG 4.01Å; F8-Y109 HydrophobicContact CG-CD2 4.43Å; F8-Y109 HydrophobicContact CZ-CD1 4.09Å; F8-Y109 AromaticContact CZ-CD2 3.67Å; F8-Y109 HydrophobicContact CZ-CD2 3.67Å; F8-Y109 HydrophobicContact CZ-CE2 4.45Å; F8-Y109 AromaticContact CZ-CG 3.49Å; F8-Y109 HydrophobicContact CZ-CG 3.49Å; F8-Y109 VanDerWaalsContact CZ-CG 3.49Å; S105-Y109 WeakPolarHBondContact O-CB 3.34Å; S105-Y109 PolarHBondContact O-N 2.93Å; K106-Y109 PolarHBondContact O-N 3.43Å; T107-Y109 VanDerWaalsContact C-N 3.34Å; T107-Y109 PolarHBondContact O-N 3.29Å; Y109-I111 VanDerWaalsContact C-N 3.29Å; Y109-I111 PolarHBondContact O-N 3Å; Y109-L112 PolarHBondContact O-N 3.44Å; Y109-R113 HydrophobicContact CE1-CB 4.3Å; Y109-R113 WeakPolarHBondContact O-CB 3.29Å; Y109-R113 PolarHBondContact O-N 3.09Å; Y109-F131 AromaticContact CD2-CE1 3.85Å; Y109-F131 HydrophobicContact CD2-CE1 3.85Å; Y109-F131 HydrophobicContact CD2-CE2 4.34Å; Y109-F131 AromaticContact CD2-CZ 3.36Å; Y109-F131 HydrophobicContact CD2-CZ 3.36Å; Y109-F131 AromaticContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CG-CZ 4.03Å
110S83.5Confident82.6Confident42 Ų4250.1 Ų50.129%0.29425%0.248SC..Hα-helixtrans-65-34.5178.2-1720000112.4K106 T107 V108 H114K106-S110 WeakPolarHBondContact O-CB 3.44Å; K106-S110 PolarHBondContact O-N 3.09Å; T107-S110 PolarHBondContact O-N 3.41Å; V108-S110 VanDerWaalsContact C-N 3.33Å; V108-S110 PolarHBondContact O-N 3.35Å; S110-H114 WeakPolarHBondContact O-CB 3.45Å; S110-H114 PolarHBondContact O-N 2.86Å
111I83.1Confident82Confident0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-67.1-54.8175.8-68.2161.6000109.2T107 V108 Y109 R113 H114 V115 F153 L176 N179 I180 R183 L184T107-I111 HydrophobicContact CG2-CD1 4.09Å; T107-I111 WeakPolarHBondContact O-CG1 3.21Å; T107-I111 PolarHBondContact O-N 2.95Å; V108-I111 WeakPolarHBondContact O-CB 3.48Å; V108-I111 PolarHBondContact O-N 3.5Å; Y109-I111 VanDerWaalsContact C-N 3.29Å; Y109-I111 PolarHBondContact O-N 3Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 2.93Å; I111-H114 PolarHBondContact O-N 2.84Å; I111-H114 VanDerWaalsContact O-N 3.08Å; I111-V115 HydrophobicContact CG2-CG2 4.44Å; I111-V115 WeakPolarHBondContact O-CG2 3.44Å; I111-V115 PolarHBondContact O-N 2.99Å; I111-F153 HydrophobicContact CD1-CD2 4.18Å; I111-F153 HydrophobicContact CG2-CD2 4.5Å; I111-F153 HydrophobicContact CG2-CE2 4.15Å; I111-L176 HydrophobicContact CG2-CD1 4.15Å; I111-N179 HydrophobicContact CG2-CB 4.23Å; I111-I180 HydrophobicContact CG2-CG1 4Å; I111-R183 HydrophobicContact CD1-CB 4.4Å; I111-R183 HydrophobicContact CG1-CB 4.26Å; I111-R183 HydrophobicContact CG1-CG 4.49Å; I111-L184 HydrophobicContact CD1-CD1 3.32Å; I111-L184 HydrophobicContact CD1-CG 4.26Å
112L80.9Confident81.3Confident0 Ų054.3 Ų54.30%027%0.273CS..Hα-helixtrans-60.6-39.5-179.2-79.6147.9000112.8V108 Y109 H114 V115 A116 L130 F131 T134 A135 F153V108-L112 HydrophobicContact CG1-CD1 3.57Å; V108-L112 WeakPolarHBondContact O-CD1 3.44Å; V108-L112 PolarHBondContact O-N 3.24Å; Y109-L112 PolarHBondContact O-N 3.44Å; L112-H114 VanDerWaalsContact C-N 3.31Å; L112-H114 PolarHBondContact O-N 3.19Å; L112-V115 PolarHBondContact O-N 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 2.79Å; L112-L130 HydrophobicContact CD2-CD2 3.78Å; L112-L130 HydrophobicContact CD2-CG 3.77Å; L112-F131 HydrophobicContact CB-CD2 4.08Å; L112-F131 HydrophobicContact CB-CE2 3.36Å; L112-F131 HydrophobicContact CB-CZ 3.74Å; L112-F131 HydrophobicContact CD1-CD1 4.23Å; L112-F131 HydrophobicContact CD1-CD2 4.15Å; L112-F131 HydrophobicContact CD1-CE1 3.92Å; L112-F131 HydrophobicContact CD1-CE2 3.86Å; L112-F131 HydrophobicContact CD1-CG 4.35Å; L112-F131 HydrophobicContact CD1-CZ 3.74Å; L112-F131 HydrophobicContact CD2-CD2 4.33Å; L112-F131 HydrophobicContact CD2-CE2 4.41Å; L112-F131 HydrophobicContact CG-CD2 4.43Å; L112-F131 HydrophobicContact CG-CE2 4.07Å; L112-F131 HydrophobicContact CG-CZ 4.33Å; L112-T134 WeakPolarHBondContact CD2-OG1 3.48Å; L112-A135 HydrophobicContact CD1-CB 3.9Å; L112-F153 HydrophobicContact CD1-CE2 4.46Å; L112-F153 HydrophobicContact CD1-CZ 4.29Å; L112-F153 HydrophobicContact CG-CZ 4.5Å
113R81.8Confident80.9Confident103 Ų10359.8 Ų59.839%0.38930%0.297SS..Hα-helixtrans-61.3-41.3175.3178.6174.6173.7165.51.2111.8Y109 I111 A116 E117Y109-R113 HydrophobicContact CE1-CB 4.3Å; Y109-R113 WeakPolarHBondContact O-CB 3.29Å; Y109-R113 PolarHBondContact O-N 3.09Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 2.93Å; R113-A116 PolarHBondContact O-N 2.8Å; R113-E117 WeakPolarHBondContact O-CB 3.48Å; R113-E117 PolarHBondContact O-N 3.29Å
114H82.3Confident80.3Confident66 Ų6660.6 Ų60.631%0.30630%0.298SS..Hα-helixtrans-74.3-35.9-179.9-168.776.1000111.5S110 I111 L112 A116 E117 V118 N179S110-H114 WeakPolarHBondContact O-CB 3.45Å; S110-H114 PolarHBondContact O-N 2.86Å; I111-H114 PolarHBondContact O-N 2.84Å; I111-H114 VanDerWaalsContact O-N 3.08Å; L112-H114 VanDerWaalsContact C-N 3.31Å; L112-H114 PolarHBondContact O-N 3.19Å; H114-A116 VanDerWaalsContact C-N 3.3Å; H114-A116 PolarHBondContact O-N 2.97Å; H114-E117 IonicContact CE1-OE1 3.82Å; H114-E117 IonicContact ND1-OE1 3.7Å; H114-E117 PolarHBondContact O-N 3.02Å; H114-V118 VanDerWaalsContact O-CG2 3.29Å; H114-V118 WeakPolarHBondContact O-CG2 3.18Å; H114-V118 PolarHBondContact O-N 2.67Å; H114-N179 PolarHBondContact CD2-ND2 3.28Å
115V82Confident79.9Confident1 Ų165.4 Ų65.41%0.00632%0.321CS..Hα-helixtrans-58.2-45169.8172.50000110.5I111 L112 E117 V118 L119 L130 V175 L176 N179I111-V115 HydrophobicContact CG2-CG2 4.44Å; I111-V115 WeakPolarHBondContact O-CG2 3.44Å; I111-V115 PolarHBondContact O-N 2.99Å; L112-V115 PolarHBondContact O-N 3.25Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 2.78Å; V115-V118 PolarHBondContact O-N 3.1Å; V115-L119 HydrophobicContact CG1-CD1 3.62Å; V115-L119 WeakPolarHBondContact O-CB 3.25Å; V115-L119 WeakPolarHBondContact O-CD1 3.48Å; V115-L119 WeakPolarHBondContact O-CG 3.19Å; V115-L119 PolarHBondContact O-N 3.45Å; V115-L130 HydrophobicContact CG1-CD2 4.26Å; V115-V175 HydrophobicContact CB-CG1 4.44Å; V115-V175 HydrophobicContact CG1-CG1 4.07Å; V115-V175 HydrophobicContact CG2-CG1 4.31Å; V115-L176 HydrophobicContact CG2-CB 4.42Å; V115-L176 HydrophobicContact CG2-CD1 3.89Å; V115-N179 HydrophobicContact CG2-CB 3.85Å
116A81.9Confident79.5Confident2 Ų268.8 Ų68.82%0.01734%0.336CS..Hα-helixtrans-65.7-33.8176.600000113.6L112 R113 H114 E120 Y121 L127 L130L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 2.79Å; R113-A116 PolarHBondContact O-N 2.8Å; H114-A116 VanDerWaalsContact C-N 3.3Å; H114-A116 PolarHBondContact O-N 2.97Å; A116-E120 PolarHBondContact O-N 2.87Å; A116-Y121 HydrophobicContact CB-CD2 4Å; A116-Y121 PolarHBondContact O-N 3.09Å; A116-L127 HydrophobicContact CB-CD1 3.59Å; A116-L130 HydrophobicContact CB-CD2 4.43Å
117E82.1Confident79.1Confident126 Ų12663.1 Ų63.159%0.58931%0.311SS*.Hα-helixtrans-67.4-41.7174.3-171.217484.800111.5R113 H114 V115 L119 E120R113-E117 WeakPolarHBondContact O-CB 3.48Å; R113-E117 PolarHBondContact O-N 3.29Å; H114-E117 IonicContact CE1-OE1 3.82Å; H114-E117 IonicContact ND1-OE1 3.7Å; H114-E117 PolarHBondContact O-N 3.02Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 2.78Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-E120 PolarHBondContact O-N 3.26Å
118V82.4Confident78.8Confident77 Ų7763.3 Ų63.347%0.46731%0.309SS..Hα-helixtrans-67-35.8176.9173.70000111.8H114 V115 E120 V175H114-V118 VanDerWaalsContact O-CG2 3.29Å; H114-V118 WeakPolarHBondContact O-CG2 3.18Å; H114-V118 PolarHBondContact O-N 2.67Å; V115-V118 PolarHBondContact O-N 3.1Å; V118-E120 PolarHBondContact O-N 3.29Å; V118-V175 HydrophobicContact CB-CG1 4.1Å; V118-V175 HydrophobicContact CG1-CG1 3.83Å; V118-V175 HydrophobicContact CG1-CG2 4.4Å
119L79.2Confident78.5Confident43 Ų4365 Ų6523%0.22532%0.322CS..THydrogen-bonded Turntrans-825.2175.9-66.8162.6000113.2V115 E117 Y121 E172V115-L119 HydrophobicContact CG1-CD1 3.62Å; V115-L119 WeakPolarHBondContact O-CB 3.25Å; V115-L119 WeakPolarHBondContact O-CD1 3.48Å; V115-L119 WeakPolarHBondContact O-CG 3.19Å; V115-L119 PolarHBondContact O-N 3.45Å; E117-L119 VanDerWaalsContact C-N 3.34Å; L119-Y121 HydrophobicContact CB-CD2 3.97Å; L119-Y121 HydrophobicContact CB-CE2 3.86Å; L119-Y121 HydrophobicContact CD1-CD2 4.41Å; L119-Y121 HydrophobicContact CD1-CE2 3.79Å; L119-Y121 HydrophobicContact CG-CE2 4.48Å; L119-Y121 PolarHBondContact O-N 3.09Å; L119-E172 HydrophobicContact CD1-CB 4.31Å; L119-E172 HydrophobicContact CD1-CG 3.87Å; L119-E172 HydrophobicContact CD2-CG 4.39Å
120E78.5Confident78.3Confident167 Ų16764 Ų6478%0.7832%0.318SS*.THydrogen-bonded Turntrans56.731.8178.9-56-173.988.100114.3A116 E117 V118 T122A116-E120 PolarHBondContact O-N 2.87Å; E117-E120 PolarHBondContact O-N 3.26Å; V118-E120 PolarHBondContact O-N 3.29Å; E120-T122 PolarHBondContact O-N 3.44Å; E120-T122 VanDerWaalsContact O-N 3.11Å
121Y72.7Confident78Confident53 Ų5362.1 Ų62.121%0.20830%0.304CS..  trans-68113.7173.3-71.4-45000110.4A116 L119 Q126 E172A116-Y121 HydrophobicContact CB-CD2 4Å; A116-Y121 PolarHBondContact O-N 3.09Å; L119-Y121 HydrophobicContact CB-CD2 3.97Å; L119-Y121 HydrophobicContact CB-CE2 3.86Å; L119-Y121 HydrophobicContact CD1-CD2 4.41Å; L119-Y121 HydrophobicContact CD1-CE2 3.79Å; L119-Y121 HydrophobicContact CG-CE2 4.48Å; L119-Y121 PolarHBondContact O-N 3.09Å; Y121-Q126 HydrophobicContact CD1-CB 3.67Å; Y121-Q126 HydrophobicContact CD1-CG 4.06Å; Y121-Q126 VanDerWaalsContact CD1-OE1 3.25Å; Y121-Q126 HydrophobicContact CE1-CB 4.21Å; Y121-Q126 HydrophobicContact CE1-CG 4.43Å; Y121-Q126 HydrophobicContact CG-CB 3.85Å; Y121-E172 PolarHBondContact OH-OE1 3.25Å
122T70Confident77.7Confident120 Ų12067.6 Ų67.674%0.73633%0.33SS*.  trans-98.9-9.2-176.339.20000113.4E120E120-T122 PolarHBondContact O-N 3.44Å; E120-T122 VanDerWaalsContact O-N 3.11Å
123K73.4Confident77.5Confident131 Ų13173.3 Ų73.357%0.5735%0.352SS*.SBendtrans-112.7139.5-178.4-67-176.9179.9-177.90112E125 Q126 L127K123-E125 PolarHBondContact O-N 3.45Å; K123-Q126 HydrophobicContact CB-CG 4.33Å; K123-Q126 PolarHBondContact O-N 2.99Å; K123-Q126 VanDerWaalsContact O-N 3.11Å; K123-L127 PolarHBondContact O-N 3.25Å
124D73.2Confident77.2Confident92 Ų9268.4 Ų68.449%0.49233%0.333SS..Hα-helixtrans-58.6-38177.9-36.7-93000111.5Q126 L127 E128D124-Q126 VanDerWaalsContact C-N 3.3Å; D124-Q126 PolarHBondContact O-N 2.95Å; D124-L127 WeakPolarHBondContact O-CB 3.4Å; D124-L127 PolarHBondContact O-N 3Å; D124-E128 PolarHBondContact O-N 3.09Å
125E74.1Confident76.8Confident149 Ų14965.4 Ų65.470%0.69632%0.32SS*.Hα-helixtrans-62.3-32.3177.6-80.8173.686.900113.5K123 E128 S129K123-E125 PolarHBondContact O-N 3.45Å; E125-E128 PolarHBondContact O-N 3.37Å; E125-S129 WeakPolarHBondContact O-CB 3.23Å; E125-S129 PolarHBondContact O-N 2.71Å
126Q75.1Confident76.5Confident78 Ų7866.2 Ų66.236%0.36432%0.323SS..Hα-helixtrans-72.3-38.7177.8-68-173.4-66.300110.7Y121 K123 D124 S129 L130Y121-Q126 HydrophobicContact CD1-CB 3.67Å; Y121-Q126 HydrophobicContact CD1-CG 4.06Å; Y121-Q126 VanDerWaalsContact CD1-OE1 3.25Å; Y121-Q126 HydrophobicContact CE1-CB 4.21Å; Y121-Q126 HydrophobicContact CE1-CG 4.43Å; Y121-Q126 HydrophobicContact CG-CB 3.85Å; K123-Q126 HydrophobicContact CB-CG 4.33Å; K123-Q126 PolarHBondContact O-N 2.99Å; K123-Q126 VanDerWaalsContact O-N 3.11Å; D124-Q126 VanDerWaalsContact C-N 3.3Å; D124-Q126 PolarHBondContact O-N 2.95Å; Q126-S129 PolarHBondContact O-N 3.1Å; Q126-L130 PolarHBondContact O-N 2.84Å
127L75.7Confident76.2Confident0 Ų068.9 Ų68.90%034%0.339CS..Hα-helixtrans-63.5-43.2171.9-175.163.5000111.1L4 C6 A116 K123 D124 S129 L130 F131L4-L127 HydrophobicContact CB-CD2 3.76Å; L4-L127 HydrophobicContact CD2-CB 4.14Å; L4-L127 HydrophobicContact CD2-CD2 4.32Å; C6-L127 HydrophobicContact CB-CD2 3.55Å; C6-L127 HydrophobicContact CB-CG 3.77Å; A116-L127 HydrophobicContact CB-CD1 3.59Å; K123-L127 PolarHBondContact O-N 3.25Å; D124-L127 WeakPolarHBondContact O-CB 3.4Å; D124-L127 PolarHBondContact O-N 3Å; L127-S129 PolarHBondContact O-N 3.22Å; L127-L130 WeakPolarHBondContact O-CB 3.16Å; L127-L130 PolarHBondContact O-N 3.37Å; L127-F131 HydrophobicContact CD1-CD2 4.02Å; L127-F131 HydrophobicContact CD1-CE2 3.75Å; L127-F131 HydrophobicContact CG-CD2 4.18Å; L127-F131 HydrophobicContact CG-CE2 4.07Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.37Å; L127-F131 PolarHBondContact O-N 2.87Å
128E76.2Confident75.7Confident46 Ų4663 Ų6322%0.21531%0.311CS..Hα-helixtrans-61.5-42.5174.8-72-160.8105.100112C6 R7 D124 E125 L130 F131 Q132C6-E128 HydrophobicContact CB-CG 4.45Å; C6-E128 VanDerWaalsContact SG-CG 3.58Å; R7-E128 IonicContact CZ-OE1 2.78Å; R7-E128 IonicContact NE-OE1 2.67Å; R7-E128 PolarHBondContact NE-OE1 3.31Å; R7-E128 IonicContact NH2-OE1 3.22Å; R7-E128 PolarHBondContact NH2-OE1 2.73Å; R7-E128 IonicContact NH2-OE2 3.1Å; D124-E128 PolarHBondContact O-N 3.09Å; E125-E128 PolarHBondContact O-N 3.37Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.07Å; E128-F131 PolarHBondContact O-N 3.27Å; E128-Q132 WeakPolarHBondContact O-CB 3.43Å; E128-Q132 PolarHBondContact O-N 3.49Å
129S78.3Confident75.3Confident42 Ų4260.8 Ų60.829%0.29430%0.297SS..Hα-helixtrans-61.6-41.4175.4179.50000111.6E125 Q126 L127 Q132 R133E125-S129 WeakPolarHBondContact O-CB 3.23Å; E125-S129 PolarHBondContact O-N 2.71Å; Q126-S129 PolarHBondContact O-N 3.1Å; L127-S129 PolarHBondContact O-N 3.22Å; S129-Q132 PolarHBondContact O-N 3.46Å; S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 2.91Å
130L78.9Confident74.9Confident5 Ų564.1 Ų64.13%0.02632%0.315CS..Hα-helixtrans-61.4-48.8176.4-174.667.1000110.3L112 V115 A116 Q126 L127 E128 Q132 R133 T134 L168L112-L130 HydrophobicContact CD2-CD2 3.78Å; L112-L130 HydrophobicContact CD2-CG 3.77Å; V115-L130 HydrophobicContact CG1-CD2 4.26Å; A116-L130 HydrophobicContact CB-CD2 4.43Å; Q126-L130 PolarHBondContact O-N 2.84Å; L127-L130 WeakPolarHBondContact O-CB 3.16Å; L127-L130 PolarHBondContact O-N 3.37Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.07Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 2.95Å; L130-R133 PolarHBondContact O-N 2.66Å; L130-R133 VanDerWaalsContact O-N 3.17Å; L130-T134 PolarHBondContact O-N 3.24Å; L130-T134 PolarHBondContact O-OG1 3.35Å; L130-L168 HydrophobicContact CD1-CD2 3.83Å
131F76.9Confident74.6Confident3 Ų361.6 Ų61.61%0.01330%0.301CS..Hα-helixtrans-58.8-41.3176.1-92.1-111.7000112.6Y109 L112 L127 E128 R133 T134 A135 W136Y109-F131 AromaticContact CD2-CE1 3.85Å; Y109-F131 HydrophobicContact CD2-CE1 3.85Å; Y109-F131 HydrophobicContact CD2-CE2 4.34Å; Y109-F131 AromaticContact CD2-CZ 3.36Å; Y109-F131 HydrophobicContact CD2-CZ 3.36Å; Y109-F131 AromaticContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CE2-CZ 3.94Å; Y109-F131 HydrophobicContact CG-CZ 4.03Å; L112-F131 HydrophobicContact CB-CD2 4.08Å; L112-F131 HydrophobicContact CB-CE2 3.36Å; L112-F131 HydrophobicContact CB-CZ 3.74Å; L112-F131 HydrophobicContact CD1-CD1 4.23Å; L112-F131 HydrophobicContact CD1-CD2 4.15Å; L112-F131 HydrophobicContact CD1-CE1 3.92Å; L112-F131 HydrophobicContact CD1-CE2 3.86Å; L112-F131 HydrophobicContact CD1-CG 4.35Å; L112-F131 HydrophobicContact CD1-CZ 3.74Å; L112-F131 HydrophobicContact CD2-CD2 4.33Å; L112-F131 HydrophobicContact CD2-CE2 4.41Å; L112-F131 HydrophobicContact CG-CD2 4.43Å; L112-F131 HydrophobicContact CG-CE2 4.07Å; L112-F131 HydrophobicContact CG-CZ 4.33Å; L127-F131 HydrophobicContact CD1-CD2 4.02Å; L127-F131 HydrophobicContact CD1-CE2 3.75Å; L127-F131 HydrophobicContact CG-CD2 4.18Å; L127-F131 HydrophobicContact CG-CE2 4.07Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.37Å; L127-F131 PolarHBondContact O-N 2.87Å; E128-F131 PolarHBondContact O-N 3.27Å; F131-R133 VanDerWaalsContact C-N 3.3Å; F131-R133 PolarHBondContact O-N 3.45Å; F131-T134 CarbonylContact O-C 3.26Å; F131-T134 PolarHBondContact O-N 3.36Å; F131-A135 HydrophobicContact CD1-CB 3.98Å; F131-A135 PolarHBondContact O-N 3.49Å; F131-W136 HydrophobicContact CB-CZ2 4.19Å; F131-W136 PolarHBondContact O-N 2.88Å
132Q76.6Confident74.4Confident116 Ų11663.3 Ų63.354%0.54231%0.308SS..Hα-helixtrans-64.4-35.8178.3-176.6170.8-19.400112.3E128 S129 L130 W136 V137E128-Q132 WeakPolarHBondContact O-CB 3.43Å; E128-Q132 PolarHBondContact O-N 3.49Å; S129-Q132 PolarHBondContact O-N 3.46Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 2.95Å; Q132-W136 VanDerWaalsContact CA-CE3 3.43Å; Q132-W136 HydrophobicContact CB-CD2 4.43Å; Q132-W136 HydrophobicContact CB-CE3 3.54Å; Q132-W136 HydrophobicContact CB-CZ3 3.65Å; Q132-W136 HydrophobicContact CG-CE3 3.78Å; Q132-W136 HydrophobicContact CG-CZ3 4.03Å; Q132-V137 WeakPolarHBondContact O-CG2 3.38Å
133R75.6Confident74.2Confident119 Ų11966.2 Ų66.245%0.44931%0.311SS..Hα-helixtrans-81.2-25.5177.8-68177.4-172.3-171.10.7113.3S129 L130 F131 V137 L166 L168S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 2.91Å; L130-R133 PolarHBondContact O-N 2.66Å; L130-R133 VanDerWaalsContact O-N 3.17Å; F131-R133 VanDerWaalsContact C-N 3.3Å; F131-R133 PolarHBondContact O-N 3.45Å; R133-V137 VanDerWaalsContact O-CG2 3.26Å; R133-V137 WeakPolarHBondContact O-CG2 3.24Å; R133-L166 WeakPolarHBondContact O-CD2 3.36Å; R133-L166 WeakPolarHBondContact O-CG 3.37Å; R133-L168 HydrophobicContact CB-CD2 4.27Å
134T75.9Confident73.8Confident0 Ų068 Ų680%031%0.314CS..THydrogen-bonded Turntrans-108.8-81.9-177.145.40000113.1L112 L130 F131 W136 V137 F138 L166 L168 L176L112-T134 WeakPolarHBondContact CD2-OG1 3.48Å; L130-T134 PolarHBondContact O-N 3.24Å; L130-T134 PolarHBondContact O-OG1 3.35Å; F131-T134 CarbonylContact O-C 3.26Å; F131-T134 PolarHBondContact O-N 3.36Å; T134-W136 VanDerWaalsContact C-N 3.35Å; T134-W136 PolarHBondContact O-N 3.26Å; T134-V137 PolarHBondContact O-N 3.29Å; T134-F138 VanDerWaalsContact O-CD2 3.24Å; T134-F138 WeakPolarHBondContact O-CD2 2.99Å; T134-F138 PolarHBondContact O-N 3.44Å; T134-L166 HydrophobicContact CG2-CD2 3.35Å; T134-L168 HydrophobicContact CG2-CD1 3.57Å; T134-L168 HydrophobicContact CG2-CD2 4.18Å; T134-L168 HydrophobicContact CG2-CG 4.33Å; T134-L176 HydrophobicContact CG2-CD2 3.87Å
135A73.9Confident73.3Confident4 Ų466.9 Ų66.93%0.03331%0.312CS..Hα-helixtrans-58.2-46.2-169.200000111.7V108 L112 F131 F138 D139 A149V108-A135 HydrophobicContact CG1-CB 4.29Å; L112-A135 HydrophobicContact CD1-CB 3.9Å; F131-A135 HydrophobicContact CD1-CB 3.98Å; F131-A135 PolarHBondContact O-N 3.49Å; A135-F138 PolarHBondContact O-N 3Å; A135-D139 WeakPolarHBondContact O-CB 3.45Å; A135-D139 PolarHBondContact O-N 3.24Å; A135-A149 HydrophobicContact CB-CB 4.43Å
136W75.2Confident72.6Confident17 Ų1760 Ų606%0.06428%0.28CS..Hα-helixtrans-73.3-31.1-176.3-58.6-14.7000112.9R7 F8 Q10 F131 Q132 T134 F138 D139 D140R7-W136 HydrophobicContact CG-CH2 4.19Å; R7-W136 HydrophobicContact CG-CZ2 3.75Å; F8-W136 PolarHBondContact O-NE1 2.85Å; Q10-W136 HydrophobicContact CB-CD2 3.85Å; Q10-W136 HydrophobicContact CB-CE3 3.92Å; Q10-W136 HydrophobicContact CB-CG 4.11Å; Q10-W136 HydrophobicContact CG-CD2 4.29Å; Q10-W136 HydrophobicContact CG-CE3 3.84Å; Q10-W136 HydrophobicContact CG-CZ3 4.32Å; F131-W136 HydrophobicContact CB-CZ2 4.19Å; F131-W136 PolarHBondContact O-N 2.88Å; Q132-W136 VanDerWaalsContact CA-CE3 3.43Å; Q132-W136 HydrophobicContact CB-CD2 4.43Å; Q132-W136 HydrophobicContact CB-CE3 3.54Å; Q132-W136 HydrophobicContact CB-CZ3 3.65Å; Q132-W136 HydrophobicContact CG-CE3 3.78Å; Q132-W136 HydrophobicContact CG-CZ3 4.03Å; T134-W136 VanDerWaalsContact C-N 3.35Å; T134-W136 PolarHBondContact O-N 3.26Å; W136-F138 VanDerWaalsContact C-N 3.34Å; W136-D139 PolarHBondContact O-N 3.07Å; W136-D140 WeakPolarHBondContact O-CB 3.27Å; W136-D140 PolarHBondContact O-N 2.59Å
137V76.1Confident72.3Confident59 Ų5959.4 Ų59.436%0.35828%0.275SS..Hα-helixtrans-62.8-45173.51780000110.3Q132 R133 T134 K141Q132-V137 WeakPolarHBondContact O-CG2 3.38Å; R133-V137 VanDerWaalsContact O-CG2 3.26Å; R133-V137 WeakPolarHBondContact O-CG2 3.24Å; T134-V137 PolarHBondContact O-N 3.29Å; V137-K141 VanDerWaalsContact O-CB 3.26Å; V137-K141 WeakPolarHBondContact O-CB 3.36Å; V137-K141 PolarHBondContact O-N 3.02Å
138F72.7Confident71.9Confident2 Ų259.5 Ų59.51%0.00928%0.276CS..Hα-helixtrans-69-38.1177-73.5-59.9000112.4T134 A135 W136 D140 K141 Y142 A152 F153 I162 L166T134-F138 VanDerWaalsContact O-CD2 3.24Å; T134-F138 WeakPolarHBondContact O-CD2 2.99Å; T134-F138 PolarHBondContact O-N 3.44Å; A135-F138 PolarHBondContact O-N 3Å; W136-F138 VanDerWaalsContact C-N 3.34Å; F138-D140 VanDerWaalsContact C-N 3.34Å; F138-D140 PolarHBondContact O-N 2.68Å; F138-K141 PolarHBondContact O-N 3.4Å; F138-Y142 HydrophobicContact CD1-CE2 4.04Å; F138-Y142 WeakPolarHBondContact O-CD2 3.41Å; F138-Y142 PolarHBondContact O-N 3.03Å; F138-A152 HydrophobicContact CB-CB 3.83Å; F138-A152 HydrophobicContact CD1-CB 3.5Å; F138-A152 HydrophobicContact CD2-CB 4.18Å; F138-A152 HydrophobicContact CE1-CB 4.04Å; F138-A152 HydrophobicContact CG-CB 3.57Å; F138-F153 HydrophobicContact CD2-CD1 4.43Å; F138-F153 HydrophobicContact CD2-CE1 4.02Å; F138-F153 HydrophobicContact CE2-CE1 4.19Å; F138-I162 HydrophobicContact CE1-CB 4.4Å; F138-I162 HydrophobicContact CZ-CG1 4.46Å; F138-I162 WeakPolarHBondContact CZ-O 3.23Å; F138-L166 HydrophobicContact CE1-CD1 4.1Å; F138-L166 HydrophobicContact CE2-CD1 3.59Å; F138-L166 HydrophobicContact CE2-CD2 3.99Å; F138-L166 HydrophobicContact CE2-CG 4.46Å; F138-L166 HydrophobicContact CZ-CD1 3.35Å
139D72.3Confident71.8Confident31 Ų3157.7 Ų57.717%0.16627%0.269CS..Hα-helixtrans-61.7-42.9177.7-154.5-108000112A135 W136 K143 R144 P145 G146A135-D139 WeakPolarHBondContact O-CB 3.45Å; A135-D139 PolarHBondContact O-N 3.24Å; W136-D139 PolarHBondContact O-N 3.07Å; D139-K143 WeakPolarHBondContact O-CA 3.34Å; D139-K143 PolarHBondContact O-N 2.98Å; D139-R144 PolarHBondContact O-N 3.07Å; D139-R144 VanDerWaalsContact OD2-O 3.13Å; D139-P145 VanDerWaalsContact OD1-CA 3.24Å; D139-P145 WeakPolarHBondContact OD1-CA 3.5Å; D139-P145 WeakPolarHBondContact OD2-CA 3.5Å; D139-G146 PolarHBondContact OD2-N 3.11Å
140D71.4Confident71.9Confident112 Ų11258.5 Ų58.560%0.59927%0.266SS*.Hα-helixtrans-67.8-45.7175.3-172.6-100.9000111.8W136 F138 Y142 K143W136-D140 WeakPolarHBondContact O-CB 3.27Å; W136-D140 PolarHBondContact O-N 2.59Å; F138-D140 VanDerWaalsContact C-N 3.34Å; F138-D140 PolarHBondContact O-N 2.68Å; D140-Y142 VanDerWaalsContact C-N 3.29Å; D140-Y142 PolarHBondContact O-N 3.25Å; D140-K143 WeakPolarHBondContact O-CG 3.49Å; D140-K143 PolarHBondContact O-N 3.06Å; D140-K143 VanDerWaalsContact O-N 3.07Å
141K73.1Confident71.9Confident114 Ų11461.8 Ų61.850%0.49628%0.283SS..Hα-helixtrans-57.3-42.1179.6-172.4175-172.1175.70112.4V137 F138V137-K141 VanDerWaalsContact O-CB 3.26Å; V137-K141 WeakPolarHBondContact O-CB 3.36Å; V137-K141 PolarHBondContact O-N 3.02Å; F138-K141 PolarHBondContact O-N 3.4Å
142Y68.4Low71.9Confident90 Ų9061.6 Ų61.635%0.35328%0.282SS..Hα-helixtrans-93.1-2.5-179.9-66.3-70.8000113.5F138 D140 R144 A152F138-Y142 HydrophobicContact CD1-CE2 4.04Å; F138-Y142 WeakPolarHBondContact O-CD2 3.41Å; F138-Y142 PolarHBondContact O-N 3.03Å; D140-Y142 VanDerWaalsContact C-N 3.29Å; D140-Y142 PolarHBondContact O-N 3.25Å; Y142-R144 WeakPolarHBondContact O-CG 3.37Å; Y142-R144 PolarHBondContact O-N 3.16Å; Y142-A152 HydrophobicContact CD2-CB 4.26Å; Y142-A152 HydrophobicContact CE2-CB 3.73Å
143K65.1Low72Confident181 Ų18156.2 Ų56.279%0.78726%0.257SS*.THydrogen-bonded Turntrans45.733.7-177.3-65.8-170.8175.4-174.90113.9D139 D140D139-K143 WeakPolarHBondContact O-CA 3.34Å; D139-K143 PolarHBondContact O-N 2.98Å; D140-K143 WeakPolarHBondContact O-CG 3.49Å; D140-K143 PolarHBondContact O-N 3.06Å; D140-K143 VanDerWaalsContact O-N 3.07Å
144R65.4Low72.1Confident169 Ų16956 Ų5664%0.63826%0.26SS*.  trans-12991.1-176.6-79.9-166.7-178.7179.13.3109.8D139 Y142 G146 Y147 G148D139-R144 PolarHBondContact O-N 3.07Å; D139-R144 VanDerWaalsContact OD2-O 3.13Å; Y142-R144 WeakPolarHBondContact O-CG 3.37Å; Y142-R144 PolarHBondContact O-N 3.16Å; R144-G146 PolarHBondContact O-N 2.8Å; R144-G146 VanDerWaalsContact O-N 3.11Å; R144-Y147 PolarHBondContact O-N 3.32Å; R144-Y147 VanDerWaalsContact O-N 3.11Å; R144-G148 PolarHBondContact O-N 3.39Å
145P61.5Low72.1Confident68 Ų6860.5 Ų60.544%0.44228%0.28SS..THydrogen-bonded Turntrans-57.8116.8-175.220.5-30.6000112.8Y9 K101 D139 Y147Y9-P145 HydrophobicContact CE1-CB 4.46Å; K101-P145 VanDerWaalsContact CE-O 3.26Å; K101-P145 WeakPolarHBondContact CE-O 3.45Å; D139-P145 VanDerWaalsContact OD1-CA 3.24Å; D139-P145 WeakPolarHBondContact OD1-CA 3.5Å; D139-P145 WeakPolarHBondContact OD2-CA 3.5Å; P145-Y147 VanDerWaalsContact C-N 3.25Å; P145-Y147 PolarHBondContact O-N 3.28Å
146G60.7Low72.2Confident3 Ų360.6 Ų60.63%0.03128%0.281CS..THydrogen-bonded Turntrans84-23.9179.100000115.1S105 D139 R144S105-G146 VanDerWaalsContact OG-CA 3.3Å; S105-G146 WeakPolarHBondContact OG-CA 3.42Å; D139-G146 PolarHBondContact OD2-N 3.11Å; R144-G146 PolarHBondContact O-N 2.8Å; R144-G146 VanDerWaalsContact O-N 3.11Å
147Y68.3Low72.2Confident67 Ų6761.5 Ų61.526%0.26329%0.288SS..Hα-helixtrans-88.4-38176.1-80.2-106.8000111.8K97 D100 K101 K104 R144 P145 A149 Y150 D151K97-Y147 PolarHBondContact O-OH 2.93Å; D100-Y147 VanDerWaalsContact OD1-CE1 3.25Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.42Å; D100-Y147 VanDerWaalsContact OD1-CZ 3.29Å; D100-Y147 PolarHBondContact OD1-OH 3.35Å; K101-Y147 HydrophobicContact CB-CD2 4.44Å; K101-Y147 HydrophobicContact CB-CE2 3.78Å; K101-Y147 HydrophobicContact CG-CD2 4.36Å; K101-Y147 HydrophobicContact CG-CE2 4.14Å; K104-Y147 HydrophobicContact CD-CD1 3.91Å; K104-Y147 HydrophobicContact CD-CE1 4Å; K104-Y147 HydrophobicContact CD-CG 4.41Å; R144-Y147 PolarHBondContact O-N 3.32Å; R144-Y147 VanDerWaalsContact O-N 3.11Å; P145-Y147 VanDerWaalsContact C-N 3.25Å; P145-Y147 PolarHBondContact O-N 3.28Å; Y147-A149 PolarHBondContact O-N 2.85Å; Y147-Y150 PolarHBondContact O-N 3.11Å; Y147-D151 WeakPolarHBondContact O-CB 3.28Å; Y147-D151 PolarHBondContact O-N 3.49Å
148G68.4Low72Confident2 Ų263.5 Ų63.52%0.02131%0.305CS..Hα-helixtrans-62.4-45-173.800000112.5R144 D151 A152R144-G148 PolarHBondContact O-N 3.39Å; G148-D151 PolarHBondContact O-N 2.91Å; G148-A152 WeakPolarHBondContact O-CB 3.35Å; G148-A152 PolarHBondContact O-N 3.47Å
149A73.8Confident71.9Confident7 Ų767.1 Ų67.16%0.05832%0.324CS..Hα-helixtrans-64.6-41.7178.300000112.7V108 A135 Y147 F153V108-A149 HydrophobicContact CG1-CB 4.24Å; V108-A149 HydrophobicContact CG2-CB 4.39Å; A135-A149 HydrophobicContact CB-CB 4.43Å; Y147-A149 PolarHBondContact O-N 2.85Å; A149-F153 WeakPolarHBondContact O-CB 3.43Å; A149-F153 WeakPolarHBondContact O-CD1 3.13Å; A149-F153 WeakPolarHBondContact O-CG 3.29Å; A149-F153 PolarHBondContact O-N 3.47Å
150Y80.4Confident71.7Confident60 Ų6068.9 Ų68.924%0.23534%0.338CS..Hα-helixtrans-68-43.9178.2-179.2-89.1000111.7K104 T107 V108 Y147 A152 F153 K154 L184K104-Y150 HydrophobicContact CB-CD1 4.45Å; K104-Y150 HydrophobicContact CB-CD2 4.06Å; K104-Y150 HydrophobicContact CB-CG 3.86Å; K104-Y150 HydrophobicContact CD-CD1 4.09Å; K104-Y150 HydrophobicContact CD-CG 4.32Å; K104-Y150 HydrophobicContact CG-CD1 3.93Å; K104-Y150 HydrophobicContact CG-CD2 4.13Å; K104-Y150 HydrophobicContact CG-CE1 4.34Å; K104-Y150 HydrophobicContact CG-CG 3.83Å; T107-Y150 HydrophobicContact CG2-CD2 4.43Å; T107-Y150 HydrophobicContact CG2-CE2 3.99Å; V108-Y150 HydrophobicContact CG2-CD2 4.2Å; Y147-Y150 PolarHBondContact O-N 3.11Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-F153 PolarHBondContact O-N 2.77Å; Y150-K154 PolarHBondContact O-N 3.04Å; Y150-L184 HydrophobicContact CD2-CD2 4.34Å; Y150-L184 HydrophobicContact CE2-CD2 3.56Å
151D78.6Confident71.7Confident73 Ų7367.2 Ų67.239%0.3934%0.335SS..Hα-helixtrans-66.5-39179.3-159.2-101.6000111.3Y147 G148 K154 H155Y147-D151 WeakPolarHBondContact O-CB 3.28Å; Y147-D151 PolarHBondContact O-N 3.49Å; G148-D151 PolarHBondContact O-N 2.91Å; D151-K154 PolarHBondContact O-N 3.23Å; D151-H155 PolarHBondContact O-N 2.87Å; D151-H155 PolarHBondContact O-ND1 2.78Å; D151-H155 IonicContact OD1-CE1 3.98Å; D151-H155 PolarHBondContact OD1-CE1 3.25Å; D151-H155 IonicContact OD1-ND1 3.59Å; D151-H155 PolarHBondContact OD1-ND1 2.88Å
152A77.5Confident71.6Confident0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-59-50169.600000110.9F138 Y142 G148 Y150 K154 H155 A156 I162F138-A152 HydrophobicContact CB-CB 3.83Å; F138-A152 HydrophobicContact CD1-CB 3.5Å; F138-A152 HydrophobicContact CD2-CB 4.18Å; F138-A152 HydrophobicContact CE1-CB 4.04Å; F138-A152 HydrophobicContact CG-CB 3.57Å; Y142-A152 HydrophobicContact CD2-CB 4.26Å; Y142-A152 HydrophobicContact CE2-CB 3.73Å; G148-A152 WeakPolarHBondContact O-CB 3.35Å; G148-A152 PolarHBondContact O-N 3.47Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.46Å; A152-H155 CarbonylContact O-C 3.6Å; A152-H155 PolarHBondContact O-N 2.88Å; A152-A156 WeakPolarHBondContact O-CB 3.25Å; A152-A156 PolarHBondContact O-N 3.01Å; A152-I162 HydrophobicContact CB-CD1 4.49Å; A152-I162 WeakPolarHBondContact O-CD1 3.24Å
153F78.6Confident71.4Confident2 Ų259 Ų591%0.00930%0.302CS..Hα-helixtrans-63.2-29179.3-81.529.8000112.4V108 I111 L112 F138 A149 Y150 A156 L176 I180 L184V108-F153 HydrophobicContact CG1-CD2 4.49Å; V108-F153 HydrophobicContact CG1-CE2 4.08Å; V108-F153 HydrophobicContact CG1-CZ 4.33Å; V108-F153 HydrophobicContact CG2-CD2 4.41Å; I111-F153 HydrophobicContact CD1-CD2 4.18Å; I111-F153 HydrophobicContact CG2-CD2 4.5Å; I111-F153 HydrophobicContact CG2-CE2 4.15Å; L112-F153 HydrophobicContact CD1-CE2 4.46Å; L112-F153 HydrophobicContact CD1-CZ 4.29Å; L112-F153 HydrophobicContact CG-CZ 4.5Å; F138-F153 HydrophobicContact CD2-CD1 4.43Å; F138-F153 HydrophobicContact CD2-CE1 4.02Å; F138-F153 HydrophobicContact CE2-CE1 4.19Å; A149-F153 WeakPolarHBondContact O-CB 3.43Å; A149-F153 WeakPolarHBondContact O-CD1 3.13Å; A149-F153 WeakPolarHBondContact O-CG 3.29Å; A149-F153 PolarHBondContact O-N 3.47Å; Y150-F153 PolarHBondContact O-N 2.77Å; F153-A156 WeakPolarHBondContact O-CB 3.31Å; F153-L176 HydrophobicContact CE2-CD1 4.22Å; F153-L176 HydrophobicContact CZ-CD1 4.27Å; F153-I180 HydrophobicContact CB-CD1 4.4Å; F153-I180 HydrophobicContact CB-CG2 4.47Å; F153-I180 HydrophobicContact CD1-CD1 4.3Å; F153-I180 HydrophobicContact CD2-CD1 3.75Å; F153-I180 HydrophobicContact CD2-CG1 3.82Å; F153-I180 HydrophobicContact CE2-CD1 4.01Å; F153-I180 HydrophobicContact CE2-CG1 4.19Å; F153-I180 HydrophobicContact CG-CD1 3.9Å; F153-I180 HydrophobicContact CG-CG1 4.35Å; F153-I180 HydrophobicContact CZ-CD1 4.39Å; F153-I180 WeakPolarHBondContact O-CG2 3.34Å; F153-L184 HydrophobicContact CB-CD1 4.02Å
154K77.8Confident71.4Confident115 Ų11555.6 Ų55.650%0.529%0.293SS..Hα-helixtrans-72.9-40.1172.1-168.2-177176.8-1670111.8Y150 D151 A152 A156 V157Y150-K154 PolarHBondContact O-N 3.04Å; D151-K154 PolarHBondContact O-N 3.23Å; A152-K154 PolarHBondContact O-N 3.46Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.25Å; K154-V157 WeakPolarHBondContact O-CG2 3.5Å; K154-V157 PolarHBondContact O-N 3.23Å
155H75.6Confident71.3Confident94 Ų9450.8 Ų50.844%0.43529%0.285SS..Hα-helixtrans-69.7-28.1173.9-74.680.1000111.9D151 A152 V157 S158 D159 I162D151-H155 PolarHBondContact O-N 2.87Å; D151-H155 PolarHBondContact O-ND1 2.78Å; D151-H155 IonicContact OD1-CE1 3.98Å; D151-H155 PolarHBondContact OD1-CE1 3.25Å; D151-H155 IonicContact OD1-ND1 3.59Å; D151-H155 PolarHBondContact OD1-ND1 2.88Å; A152-H155 CarbonylContact O-C 3.6Å; A152-H155 PolarHBondContact O-N 2.88Å; H155-V157 PolarHBondContact O-N 3.35Å; H155-S158 PolarHBondContact O-N 2.9Å; H155-D159 PolarHBondContact O-N 2.88Å; H155-I162 HydrophobicContact CB-CD1 3.98Å
156A76.4Confident71.4Confident6 Ų648.4 Ų48.45%0.0527%0.268CS..Hα-helixtrans-60-30.6177.200000113.2A152 F153 K154 S158 I162 L163 I180A152-A156 WeakPolarHBondContact O-CB 3.25Å; A152-A156 PolarHBondContact O-N 3.01Å; F153-A156 WeakPolarHBondContact O-CB 3.31Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.25Å; A156-S158 VanDerWaalsContact C-N 3.27Å; A156-I162 HydrophobicContact CB-CD1 3.78Å; A156-I162 HydrophobicContact CB-CG1 4.17Å; A156-I162 VanDerWaalsContact N-CD1 3.27Å; A156-L163 HydrophobicContact CB-CD1 3.37Å; A156-I180 HydrophobicContact CB-CD1 4.45Å
157V74.1Confident71.5Confident36 Ų3655.3 Ų55.322%0.21830%0.304CS..Hα-helixtrans-70.2-28.9177-58.70000111.9K154 H155 I180 N181 L184K154-V157 WeakPolarHBondContact O-CG2 3.5Å; K154-V157 PolarHBondContact O-N 3.23Å; H155-V157 PolarHBondContact O-N 3.35Å; V157-I180 HydrophobicContact CG1-CG2 3.45Å; V157-I180 VanDerWaalsContact CG1-CG2 3.45Å; V157-N181 WeakPolarHBondContact CG1-OD1 3.34Å; V157-L184 HydrophobicContact CG1-CB 4.24Å
158S71.8Confident71.4Confident101 Ų10153.4 Ų53.471%0.70630%0.298SS*.Hα-helixtrans-92.5-43.9-179.5-590000112.1H155 A156H155-S158 PolarHBondContact O-N 2.9Å; A156-S158 VanDerWaalsContact C-N 3.27Å
159D70.5Confident71.6Confident78 Ų7858.3 Ų58.342%0.41732%0.324SS..  trans-12699.6-178.7-162.5-77.9000110.4H155 S161H155-D159 PolarHBondContact O-N 2.88Å; D159-S161 PolarHBondContact O-N 3.44Å; D159-S161 VanDerWaalsContact O-N 3.16Å; D159-S161 WeakPolarHBondContact OD1-CA 3.5Å; D159-S161 WeakPolarHBondContact OD1-CB 3.41Å; D159-S161 PolarHBondContact OD1-N 3.12Å; D159-S161 VanDerWaalsContact OD1-N 3.07Å; D159-S161 PolarHBondContact OD1-OG 3.38Å
160P69.4Low71.6Confident69 Ų6965.9 Ų65.945%0.44836%0.358SS..G310 helixtrans-70.6-4.6-179.626.7-32.9000113.7I162 L163 R173P160-I162 VanDerWaalsContact C-N 3.27Å; P160-I162 PolarHBondContact O-N 3.11Å; P160-L163 PolarHBondContact O-N 3.35Å; P160-R173 PolarHBondContact O-NH2 3.44Å
161S70.5Confident71.5Confident76 Ų7668.2 Ų68.253%0.53138%0.375SS..G310 helixtrans-71-24.1-179.6-37.20000112.2D159 L163 D164D159-S161 PolarHBondContact O-N 3.44Å; D159-S161 VanDerWaalsContact O-N 3.16Å; D159-S161 WeakPolarHBondContact OD1-CA 3.5Å; D159-S161 WeakPolarHBondContact OD1-CB 3.41Å; D159-S161 PolarHBondContact OD1-N 3.12Å; D159-S161 VanDerWaalsContact OD1-N 3.07Å; D159-S161 PolarHBondContact OD1-OG 3.38Å; S161-L163 PolarHBondContact O-N 3.35Å; S161-D164 VanDerWaalsContact O-CB 3.25Å; S161-D164 WeakPolarHBondContact O-CB 3.4Å; S161-D164 PolarHBondContact O-N 2.91Å
162I70Confident71.4Confident27 Ų2765.4 Ų65.414%0.13836%0.36CS..G310 helixtrans-65.1-24.3177.869.8176.7000112.3F138 A152 H155 A156 P160 D164 S165F138-I162 HydrophobicContact CE1-CB 4.4Å; F138-I162 HydrophobicContact CZ-CG1 4.46Å; F138-I162 WeakPolarHBondContact CZ-O 3.23Å; A152-I162 HydrophobicContact CB-CD1 4.49Å; A152-I162 WeakPolarHBondContact O-CD1 3.24Å; H155-I162 HydrophobicContact CB-CD1 3.98Å; A156-I162 HydrophobicContact CB-CD1 3.78Å; A156-I162 HydrophobicContact CB-CG1 4.17Å; A156-I162 VanDerWaalsContact N-CD1 3.27Å; P160-I162 VanDerWaalsContact C-N 3.27Å; P160-I162 PolarHBondContact O-N 3.11Å; I162-D164 VanDerWaalsContact C-N 3.32Å; I162-S165 PolarHBondContact O-OG 2.84Å
163L65.4Low71.4Confident4 Ų468.8 Ų68.82%0.02137%0.372CS..G310 helixtrans-78.7-15.5174.3-80.596.2000113.2A156 P160 S161 S165 L166 R173 L176 I177A156-L163 HydrophobicContact CB-CD1 3.37Å; P160-L163 PolarHBondContact O-N 3.35Å; S161-L163 PolarHBondContact O-N 3.35Å; L163-S165 PolarHBondContact O-N 2.95Å; L163-L166 WeakPolarHBondContact O-CB 3.29Å; L163-L166 PolarHBondContact O-N 2.83Å; L163-L166 VanDerWaalsContact O-N 3.14Å; L163-R173 HydrophobicContact CD2-CG 4.29Å; L163-L176 HydrophobicContact CD2-CD2 3.86Å; L163-L176 HydrophobicContact CD2-CG 4.48Å; L163-I177 HydrophobicContact CD2-CD1 4.31Å; L163-I177 HydrophobicContact CD2-CG1 3.86Å
164D64.6Low71.5Confident111 Ų11175.2 Ų75.259%0.59440%0.403SS*.THydrogen-bonded Turntrans-68.5-23.8-178.5-138.2-106000112S161 I162 L166 R173S161-D164 VanDerWaalsContact O-CB 3.25Å; S161-D164 WeakPolarHBondContact O-CB 3.4Å; S161-D164 PolarHBondContact O-N 2.91Å; I162-D164 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 3.03Å; D164-R173 IonicContact OD2-CZ 2.72Å; D164-R173 VanDerWaalsContact OD2-CZ 3.29Å; D164-R173 IonicContact OD2-NH1 3.7Å; D164-R173 PolarHBondContact OD2-NH1 2.59Å; D164-R173 IonicContact OD2-NH2 2.97Å; D164-R173 PolarHBondContact OD2-NH2 3.49Å
165S63.5Low71.8Confident67 Ų6771.5 Ų71.547%0.46939%0.389SS..THydrogen-bonded Turntrans-74.14174.158.10000114.9I162 L163I162-S165 PolarHBondContact O-OG 2.84Å; L163-S165 PolarHBondContact O-N 2.95Å
166L63.6Low72.1Confident18 Ų1867.2 Ų67.29%0.09437%0.369CS..SBendtrans-108129-179.6-83.578.1000112.1R133 T134 F138 L163 D164 L168R133-L166 WeakPolarHBondContact O-CD2 3.36Å; R133-L166 WeakPolarHBondContact O-CG 3.37Å; T134-L166 HydrophobicContact CG2-CD2 3.35Å; F138-L166 HydrophobicContact CE1-CD1 4.1Å; F138-L166 HydrophobicContact CE2-CD1 3.59Å; F138-L166 HydrophobicContact CE2-CD2 3.99Å; F138-L166 HydrophobicContact CE2-CG 4.46Å; F138-L166 HydrophobicContact CZ-CD1 3.35Å; L163-L166 WeakPolarHBondContact O-CB 3.29Å; L163-L166 PolarHBondContact O-N 2.83Å; L163-L166 VanDerWaalsContact O-N 3.14Å; D164-L166 PolarHBondContact O-N 3.03Å; L166-L168 HydrophobicContact CB-CD1 4.08Å; L166-L168 HydrophobicContact CB-CG 4.1Å; L166-L168 HydrophobicContact CD2-CD1 3.63Å; L166-L168 HydrophobicContact CD2-CG 4.2Å; L166-L168 PolarHBondContact O-N 3.03Å
167D63.3Low72.3Confident149 Ų14968.9 Ų68.980%0.79738%0.377SS*.  trans-70.365.9166.5-69.5-89.2000111.7
168L65.5Low72.7Confident26 Ų2671.5 Ų71.514%0.13639%0.39CS..  trans-107.6147.5171.8-69.6169.8000110.3L130 R133 T134 L166 E172 L176L130-L168 HydrophobicContact CD1-CD2 3.83Å; R133-L168 HydrophobicContact CB-CD2 4.27Å; T134-L168 HydrophobicContact CG2-CD1 3.57Å; T134-L168 HydrophobicContact CG2-CD2 4.18Å; T134-L168 HydrophobicContact CG2-CG 4.33Å; L166-L168 HydrophobicContact CB-CD1 4.08Å; L166-L168 HydrophobicContact CB-CG 4.1Å; L166-L168 HydrophobicContact CD2-CD1 3.63Å; L166-L168 HydrophobicContact CD2-CG 4.2Å; L166-L168 PolarHBondContact O-N 3.03Å; L168-E172 HydrophobicContact CB-CB 4.34Å; L168-E172 HydrophobicContact CD2-CB 4.45Å; L168-L176 HydrophobicContact CD1-CD2 4.14Å
169N72.8Confident73.1Confident106 Ų10667.4 Ų67.457%0.56736%0.36SS*.  trans-61.3149.7168.9-10227000110D171 E172 R173N169-D171 PolarHBondContact O-N 2.82Å; N169-E172 HydrophobicContact CB-CB 4.47Å; N169-E172 HydrophobicContact CB-CG 3.99Å; N169-E172 PolarHBondContact N-OE2 2.9Å; N169-E172 WeakPolarHBondContact O-CB 3.46Å; N169-E172 PolarHBondContact O-N 2.83Å; N169-R173 PolarHBondContact O-N 2.78Å
170E73.8Confident73.6Confident165 Ų16563.7 Ų63.777%0.77134%0.34SS*.Hα-helixtrans-56.2-40.5-179.7-167.8165.986.800111.4E172 R173 E174E170-E172 PolarHBondContact O-N 2.74Å; E170-R173 PolarHBondContact O-N 3.44Å; E170-E174 PolarHBondContact O-N 3.5Å
171D77.3Confident74Confident109 Ų10963.1 Ų63.158%0.58333%0.334SS*.Hα-helixtrans-61.2-43.1174.8-47.9-94.8000112.6N169 R173 E174 V175N169-D171 PolarHBondContact O-N 2.82Å; D171-R173 VanDerWaalsContact C-N 3.35Å; D171-E174 PolarHBondContact O-N 2.82Å; D171-V175 WeakPolarHBondContact O-CB 3.49Å; D171-V175 VanDerWaalsContact O-CG2 3.24Å; D171-V175 WeakPolarHBondContact O-CG2 3.31Å; D171-V175 PolarHBondContact O-N 2.74Å; D171-V175 VanDerWaalsContact O-N 3.08Å
172E78.1Confident74.2Confident15 Ų1569.1 Ų69.17%0.0734%0.344CS..Hα-helixtrans-66.4-41.2179-62-172.8104.900110.8L119 Y121 L168 N169 E170 L176L119-E172 HydrophobicContact CD1-CB 4.31Å; L119-E172 HydrophobicContact CD1-CG 3.87Å; L119-E172 HydrophobicContact CD2-CG 4.39Å; Y121-E172 PolarHBondContact OH-OE1 3.25Å; L168-E172 HydrophobicContact CB-CB 4.34Å; L168-E172 HydrophobicContact CD2-CB 4.45Å; N169-E172 HydrophobicContact CB-CB 4.47Å; N169-E172 HydrophobicContact CB-CG 3.99Å; N169-E172 PolarHBondContact N-OE2 2.9Å; N169-E172 WeakPolarHBondContact O-CB 3.46Å; N169-E172 PolarHBondContact O-N 2.83Å; E170-E172 PolarHBondContact O-N 2.74Å; E172-L176 WeakPolarHBondContact O-CB 3.3Å; E172-L176 PolarHBondContact O-N 2.97Å
173R77.2Confident74.4Confident70 Ų7075.2 Ų75.226%0.26437%0.366SS..Hα-helixtrans-62.7-46.3178.5-176.8-178.6-178.6172.35110.6P160 L163 D164 N169 E170 D171 L176 I177P160-R173 PolarHBondContact O-NH2 3.44Å; L163-R173 HydrophobicContact CD2-CG 4.29Å; D164-R173 IonicContact OD2-CZ 2.72Å; D164-R173 VanDerWaalsContact OD2-CZ 3.29Å; D164-R173 IonicContact OD2-NH1 3.7Å; D164-R173 PolarHBondContact OD2-NH1 2.59Å; D164-R173 IonicContact OD2-NH2 2.97Å; D164-R173 PolarHBondContact OD2-NH2 3.49Å; N169-R173 PolarHBondContact O-N 2.78Å; E170-R173 PolarHBondContact O-N 3.44Å; D171-R173 VanDerWaalsContact C-N 3.35Å; R173-L176 PolarHBondContact O-N 2.97Å; R173-I177 HydrophobicContact CG-CD1 3.84Å; R173-I177 HydrophobicContact CG-CG1 4.49Å; R173-I177 WeakPolarHBondContact O-CB 3.42Å; R173-I177 VanDerWaalsContact O-CG1 3.27Å; R173-I177 WeakPolarHBondContact O-CG1 3.26Å; R173-I177 PolarHBondContact O-N 3.03Å
174E81.1Confident74.7Confident138 Ų13876 Ų7665%0.64537%0.37SS*.Hα-helixtrans-66.4-45.1-177.8-139.4-165.6108.900111.5E170 D171 L176 I177 N178E170-E174 PolarHBondContact O-N 3.5Å; D171-E174 PolarHBondContact O-N 2.82Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-L176 PolarHBondContact O-N 3.19Å; E174-I177 PolarHBondContact O-N 2.95Å; E174-N178 WeakPolarHBondContact O-CB 3.21Å; E174-N178 PolarHBondContact O-N 3.2Å
175V82.6Confident74.7Confident37 Ų3773.9 Ų73.922%0.22436%0.361CS..Hα-helixtrans-62.7-41.6176175.90000110.8V115 V118 D171 N178 N179V115-V175 HydrophobicContact CB-CG1 4.44Å; V115-V175 HydrophobicContact CG1-CG1 4.07Å; V115-V175 HydrophobicContact CG2-CG1 4.31Å; V118-V175 HydrophobicContact CB-CG1 4.1Å; V118-V175 HydrophobicContact CG1-CG1 3.83Å; V118-V175 HydrophobicContact CG1-CG2 4.4Å; D171-V175 WeakPolarHBondContact O-CB 3.49Å; D171-V175 VanDerWaalsContact O-CG2 3.24Å; D171-V175 WeakPolarHBondContact O-CG2 3.31Å; D171-V175 PolarHBondContact O-N 2.74Å; D171-V175 VanDerWaalsContact O-N 3.08Å; V175-N178 PolarHBondContact O-N 2.9Å; V175-N179 WeakPolarHBondContact O-CB 3.35Å; V175-N179 PolarHBondContact O-N 2.5Å
176L82.1Confident74.8Confident3 Ų373.6 Ų73.62%0.01636%0.358CS..Hα-helixtrans-62.5-49.9176.9-177.865.7000111.1I111 V115 T134 F153 L163 L168 E172 R173 E174 N178 N179 I180I111-L176 HydrophobicContact CG2-CD1 4.15Å; V115-L176 HydrophobicContact CG2-CB 4.42Å; V115-L176 HydrophobicContact CG2-CD1 3.89Å; T134-L176 HydrophobicContact CG2-CD2 3.87Å; F153-L176 HydrophobicContact CE2-CD1 4.22Å; F153-L176 HydrophobicContact CZ-CD1 4.27Å; L163-L176 HydrophobicContact CD2-CD2 3.86Å; L163-L176 HydrophobicContact CD2-CG 4.48Å; L168-L176 HydrophobicContact CD1-CD2 4.14Å; E172-L176 WeakPolarHBondContact O-CB 3.3Å; E172-L176 PolarHBondContact O-N 2.97Å; R173-L176 PolarHBondContact O-N 2.97Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-L176 PolarHBondContact O-N 3.19Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 2.86Å; L176-N179 PolarHBondContact O-N 3.32Å; L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.19Å; L176-I180 HydrophobicContact CD2-CD1 4.37Å; L176-I180 HydrophobicContact CG-CD1 3.73Å; L176-I180 HydrophobicContact CG-CG1 4.3Å; L176-I180 WeakPolarHBondContact O-CB 3.35Å; L176-I180 WeakPolarHBondContact O-CG1 3.19Å; L176-I180 PolarHBondContact O-N 3.07Å
177I81Confident75Confident41 Ų4181.1 Ų81.121%0.2139%0.392CS..Hα-helixtrans-60-44.5178.2-70.4170.5000110.6L163 R173 E174 N179 I180 N181L163-I177 HydrophobicContact CD2-CD1 4.31Å; L163-I177 HydrophobicContact CD2-CG1 3.86Å; R173-I177 HydrophobicContact CG-CD1 3.84Å; R173-I177 HydrophobicContact CG-CG1 4.49Å; R173-I177 WeakPolarHBondContact O-CB 3.42Å; R173-I177 VanDerWaalsContact O-CG1 3.27Å; R173-I177 WeakPolarHBondContact O-CG1 3.26Å; R173-I177 PolarHBondContact O-N 3.03Å; E174-I177 PolarHBondContact O-N 2.95Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 3.21Å; I177-I180 PolarHBondContact O-N 2.78Å; I177-N181 WeakPolarHBondContact O-CB 3.49Å; I177-N181 PolarHBondContact O-N 3.22Å; I177-N181 PolarHBondContact O-ND2 3.24Å
178N82.6Confident75.5Confident92 Ų9276.6 Ų76.649%0.49238%0.376SS..Hα-helixtrans-61.9-40.3178.3-164.3-31.5000111.2E174 V175 L176 R182E174-N178 WeakPolarHBondContact O-CB 3.21Å; E174-N178 PolarHBondContact O-N 3.2Å; V175-N178 PolarHBondContact O-N 2.9Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 2.86Å; N178-R182 WeakPolarHBondContact O-CB 3.44Å; N178-R182 PolarHBondContact O-N 3.39Å
179N80.8Confident76.1Confident14 Ų1476.6 Ų76.68%0.07538%0.377CS..Hα-helixtrans-71.3-40.9177.8-129.5-93.3000113.6I111 H114 V115 V175 L176 I177 R182 R183I111-N179 HydrophobicContact CG2-CB 4.23Å; H114-N179 PolarHBondContact CD2-ND2 3.28Å; V115-N179 HydrophobicContact CG2-CB 3.85Å; V175-N179 WeakPolarHBondContact O-CB 3.35Å; V175-N179 PolarHBondContact O-N 2.5Å; L176-N179 PolarHBondContact O-N 3.32Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 3.21Å; N179-R182 PolarHBondContact O-N 3.11Å; N179-R183 PolarHBondContact O-N 2.94Å
180I80.7Confident76.6Confident1 Ų175.1 Ų75.11%0.00537%0.365CS..Hα-helixtrans-59.6-50.4173.4-67.5172.7000108.3I111 F153 A156 V157 L176 I177 R182 R183 L184I111-I180 HydrophobicContact CG2-CG1 4Å; F153-I180 HydrophobicContact CB-CD1 4.4Å; F153-I180 HydrophobicContact CB-CG2 4.47Å; F153-I180 HydrophobicContact CD1-CD1 4.3Å; F153-I180 HydrophobicContact CD2-CD1 3.75Å; F153-I180 HydrophobicContact CD2-CG1 3.82Å; F153-I180 HydrophobicContact CE2-CD1 4.01Å; F153-I180 HydrophobicContact CE2-CG1 4.19Å; F153-I180 HydrophobicContact CG-CD1 3.9Å; F153-I180 HydrophobicContact CG-CG1 4.35Å; F153-I180 HydrophobicContact CZ-CD1 4.39Å; F153-I180 WeakPolarHBondContact O-CG2 3.34Å; A156-I180 HydrophobicContact CB-CD1 4.45Å; V157-I180 HydrophobicContact CG1-CG2 3.45Å; V157-I180 VanDerWaalsContact CG1-CG2 3.45Å; L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.19Å; L176-I180 HydrophobicContact CD2-CD1 4.37Å; L176-I180 HydrophobicContact CG-CD1 3.73Å; L176-I180 HydrophobicContact CG-CG1 4.3Å; L176-I180 WeakPolarHBondContact O-CB 3.35Å; L176-I180 WeakPolarHBondContact O-CG1 3.19Å; L176-I180 PolarHBondContact O-N 3.07Å; I177-I180 PolarHBondContact O-N 2.78Å; I180-R182 PolarHBondContact O-N 3Å; I180-R183 PolarHBondContact O-N 3.48Å; I180-L184 HydrophobicContact CB-CD1 4.43Å; I180-L184 HydrophobicContact CG2-CB 4.28Å; I180-L184 HydrophobicContact CG2-CD1 3.72Å; I180-L184 WeakPolarHBondContact O-CA 3.41Å; I180-L184 VanDerWaalsContact O-CB 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.25Å; I180-L184 PolarHBondContact O-N 2.93Å
181N77.3Confident77.2Confident57 Ų5767.3 Ų67.331%0.30533%0.329SS..Hα-helixtrans-58.1-47.8176.4-74.9-24.2000111.1V157 I177 R183 T185V157-N181 WeakPolarHBondContact CG1-OD1 3.34Å; I177-N181 WeakPolarHBondContact O-CB 3.49Å; I177-N181 PolarHBondContact O-N 3.22Å; I177-N181 PolarHBondContact O-ND2 3.24Å; N181-R183 VanDerWaalsContact C-N 3.28Å; N181-R183 PolarHBondContact O-N 3.05Å; N181-T185 WeakPolarHBondContact CA-OG1 2.97Å; N181-T185 WeakPolarHBondContact O-CB 3.26Å; N181-T185 PolarHBondContact O-N 3.36Å; N181-T185 PolarHBondContact O-OG1 2.93Å
182R75.8Confident77.6Confident201 Ų20162.9 Ų62.976%0.75830%0.304SS*.Hα-helixtrans-59-34.6178.8-93.6-180135.4-172.2-1.2114.6N178 N179 I180N178-R182 WeakPolarHBondContact O-CB 3.44Å; N178-R182 PolarHBondContact O-N 3.39Å; N179-R182 PolarHBondContact O-N 3.11Å; I180-R182 PolarHBondContact O-N 3Å
183R73.2Confident78Confident156 Ų15662.1 Ų62.159%0.58930%0.301SS*.Hα-helixtrans-97.5-32.8-176.4-81.1-155.6174.3-99.13115.1I111 N179 I180 N181I111-R183 HydrophobicContact CD1-CB 4.4Å; I111-R183 HydrophobicContact CG1-CB 4.26Å; I111-R183 HydrophobicContact CG1-CG 4.49Å; N179-R183 PolarHBondContact O-N 2.94Å; I180-R183 PolarHBondContact O-N 3.48Å; N181-R183 VanDerWaalsContact C-N 3.28Å; N181-R183 PolarHBondContact O-N 3.05Å
184L71.6Confident78.5Confident19 Ų1959.8 Ų59.810%0.09929%0.293CS..Hα-helixtrans-111.6-7-171.6-75.2141.8000113.3I111 Y150 F153 V157 I180 P186I111-L184 HydrophobicContact CD1-CD1 3.32Å; I111-L184 HydrophobicContact CD1-CG 4.26Å; Y150-L184 HydrophobicContact CD2-CD2 4.34Å; Y150-L184 HydrophobicContact CE2-CD2 3.56Å; F153-L184 HydrophobicContact CB-CD1 4.02Å; V157-L184 HydrophobicContact CG1-CB 4.24Å; I180-L184 HydrophobicContact CB-CD1 4.43Å; I180-L184 HydrophobicContact CG2-CB 4.28Å; I180-L184 HydrophobicContact CG2-CD1 3.72Å; I180-L184 WeakPolarHBondContact O-CA 3.41Å; I180-L184 VanDerWaalsContact O-CB 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.25Å; I180-L184 PolarHBondContact O-N 2.93Å; L184-P186 VanDerWaalsContact O-CD 3.31Å; L184-P186 WeakPolarHBondContact O-CD 3.38Å
185T65.9Low78.8Confident68 Ų6853.2 Ų53.242%0.41726%0.263SS..SBendtrans-58.1120.7172.2-58.60000107.5N181 Q187N181-T185 WeakPolarHBondContact CA-OG1 2.97Å; N181-T185 WeakPolarHBondContact O-CB 3.26Å; N181-T185 PolarHBondContact O-N 3.36Å; N181-T185 PolarHBondContact O-OG1 2.93Å; T185-Q187 PolarHBondContact O-N 3.39Å; T185-Q187 VanDerWaalsContact O-N 3.07Å
186P65.2Low79.1Confident61 Ų6153.7 Ų53.740%0.39626%0.262SS..PPolyproline II helixtrans-57.1121.8177.320.8-29000107.7L184 A188 L242L184-P186 VanDerWaalsContact O-CD 3.31Å; L184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-A188 PolarHBondContact O-N 3.18Å; P186-L242 HydrophobicContact CG-CB 4.39Å; P186-L242 HydrophobicContact CG-CD2 4.29Å; P186-L242 WeakPolarHBondContact O-CD2 3.41Å
187Q67.3Low79.1Confident175 Ų17553.8 Ų53.882%0.81826%0.263SS*.PPolyproline II helixtrans-60.9128.1173.5-66.9-175.932.100107.3T185 V189T185-Q187 PolarHBondContact O-N 3.39Å; T185-Q187 VanDerWaalsContact O-N 3.07Å; Q187-V189 WeakPolarHBondContact O-CG2 3.28Å; Q187-V189 PolarHBondContact O-N 3.34Å; Q187-V189 VanDerWaalsContact O-N 3.07Å
188A74.2Confident79.3Confident55 Ų5552.6 Ų52.646%0.45526%0.259SS..PPolyproline II helixtrans-58.1119.8-178.400000109.1P186 T240 T241 L242P186-A188 PolarHBondContact O-N 3.18Å; A188-T240 HydrophobicContact CB-CG2 3.52Å; A188-T241 CarbonylContact C-O 3.47Å; A188-T241 WeakPolarHBondContact CA-O 3.42Å; A188-L242 HydrophobicContact CB-CD2 4.3Å
189V78.6Confident79.3Confident25 Ų2549.4 Ų49.415%0.15224%0.244CC..EExtended strand (participates in β ladder)trans-86.7124.1-178-175.90000107.7Q187 T241 R244 V277Q187-V189 WeakPolarHBondContact O-CG2 3.28Å; Q187-V189 PolarHBondContact O-N 3.34Å; Q187-V189 VanDerWaalsContact O-N 3.07Å; V189-T241 HydrophobicContact CB-CG2 4.39Å; V189-T241 PolarHBondContact N-O 3.42Å; V189-T241 PolarHBondContact O-N 3.37Å; V189-R244 HydrophobicContact CG2-CG 4.38Å; V189-V277 HydrophobicContact CG1-CB 4.05Å; V189-V277 HydrophobicContact CG1-CG1 3.18Å; V189-V277 HydrophobicContact CG1-CG2 3.87Å
190K82.8Confident79.2Confident76 Ų7658.1 Ų58.133%0.3328%0.277SS..EExtended strand (participates in β ladder)trans-79.1130.4169.8-68.9176.9-171.3161.50109T239 V278 E283K190-T239 CarbonylContact C-O 3.47Å; K190-T239 WeakPolarHBondContact CA-O 3.09Å; K190-V278 HydrophobicContact CB-CB 4.28Å; K190-V278 WeakPolarHBondContact O-CB 3.33Å; K190-V278 PolarHBondContact O-N 3.27Å; K190-E283 WeakPolarHBondContact CD-OE2 3.22Å; K190-E283 IonicContact NZ-OE1 3.31Å; K190-E283 PolarHBondContact NZ-OE1 3.34Å; K190-E283 IonicContact NZ-OE2 2.75Å; K190-E283 PolarHBondContact NZ-OE2 3.11Å
191I86.1Confident79Confident0 Ų060.2 Ų60.20%030%0.299CS..EExtended strand (participates in β ladder)trans-114.2137172.8-56.1174.1000107.3T238 T239 T241 G247 L248 L251 P275 K276 V277I191-T238 CarbonylContact O-C 3.52Å; I191-T238 WeakPolarHBondContact O-CA 3.2Å; I191-T239 HydrophobicContact CB-CG2 3.89Å; I191-T239 PolarHBondContact N-O 2.59Å; I191-T239 PolarHBondContact O-N 2.99Å; I191-T241 HydrophobicContact CD1-CG2 3.53Å; I191-T241 HydrophobicContact CG1-CG2 4.09Å; I191-G247 VanDerWaalsContact CD1-C 3.47Å; I191-L248 HydrophobicContact CD1-CD2 4.44Å; I191-L248 HydrophobicContact CD1-CG 4.26Å; I191-L248 HydrophobicContact CG2-CD2 3.98Å; I191-L251 HydrophobicContact CB-CD1 3.79Å; I191-L251 HydrophobicContact CG2-CD1 3.34Å; I191-P275 HydrophobicContact CG2-CB 4.04Å; I191-K276 WeakPolarHBondContact CA-O 3.32Å; I191-K276 WeakPolarHBondContact CG2-O 3.38Å; I191-V277 HydrophobicContact CG1-CG2 4.16Å
192R85.1Confident78.8Confident16 Ų1669.4 Ų69.46%0.0633%0.331CS..EExtended strand (participates in β ladder)trans-123.5142.3179.8174.6-178170.6-166.8-0.1110.4D194 V236 M237 T238 M273 P275 K276 V278R192-D194 IonicContact CZ-OD1 3.35Å; R192-D194 IonicContact CZ-OD2 2.59Å; R192-D194 VanDerWaalsContact CZ-OD2 3.3Å; R192-D194 IonicContact NE-OD1 3.29Å; R192-D194 PolarHBondContact NE-OD1 3.41Å; R192-D194 VanDerWaalsContact NE-OD1 3.17Å; R192-D194 IonicContact NE-OD2 3.81Å; R192-D194 PolarHBondContact NE-OD2 2.66Å; R192-D194 VanDerWaalsContact NE-OD2 3.15Å; R192-D194 VanDerWaalsContact NH2-CG 3.28Å; R192-D194 IonicContact NH2-OD1 3.44Å; R192-D194 PolarHBondContact NH2-OD1 2.84Å; R192-D194 IonicContact NH2-OD2 2.68Å; R192-D194 PolarHBondContact NH2-OD2 3.23Å; R192-V236 HydrophobicContact CG-CG2 3.68Å; R192-M237 CarbonylContact C-O 3.58Å; R192-M237 VanDerWaalsContact CA-O 3.23Å; R192-M237 WeakPolarHBondContact CA-O 3.44Å; R192-T238 HydrophobicContact CB-CG2 4.46Å; R192-M273 HydrophobicContact CG-CE 4.23Å; R192-P275 CarbonylContact O-C 3.49Å; R192-P275 VanDerWaalsContact O-CA 3.29Å; R192-P275 WeakPolarHBondContact O-CA 3.47Å; R192-K276 PolarHBondContact N-O 3.47Å; R192-K276 PolarHBondContact O-N 2.72Å; R192-V278 HydrophobicContact CB-CG2 3.26Å; R192-V278 HydrophobicContact CG-CG2 4.46Å
193A87.3Confident78.8Confident0 Ų066.9 Ų66.90%033%0.327CS..EExtended strand (participates in β ladder)trans-130.8144.4164.300000109.5M237 L251 M255 P275A193-M237 HydrophobicContact CB-CB 4.45Å; A193-M237 PolarHBondContact N-O 3.25Å; A193-M237 PolarHBondContact O-N 2.77Å; A193-L251 HydrophobicContact CB-CD2 3.96Å; A193-M255 HydrophobicContact CB-SD 3.96Å; A193-P275 HydrophobicContact CB-CB 4.2Å
194D87.5Confident78.9Confident20 Ų2059.7 Ų59.711%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-111.1123.1173.6-62.2-71.5000108.9R192 V236 Q272 M273R192-D194 IonicContact CZ-OD1 3.35Å; R192-D194 IonicContact CZ-OD2 2.59Å; R192-D194 VanDerWaalsContact CZ-OD2 3.3Å; R192-D194 IonicContact NE-OD1 3.29Å; R192-D194 PolarHBondContact NE-OD1 3.41Å; R192-D194 VanDerWaalsContact NE-OD1 3.17Å; R192-D194 IonicContact NE-OD2 3.81Å; R192-D194 PolarHBondContact NE-OD2 2.66Å; R192-D194 VanDerWaalsContact NE-OD2 3.15Å; R192-D194 VanDerWaalsContact NH2-CG 3.28Å; R192-D194 IonicContact NH2-OD1 3.44Å; R192-D194 PolarHBondContact NH2-OD1 2.84Å; R192-D194 IonicContact NH2-OD2 2.68Å; R192-D194 PolarHBondContact NH2-OD2 3.23Å; D194-V236 WeakPolarHBondContact OD1-CG2 3.34Å; D194-Q272 HydrophobicContact CB-CB 4.04Å; D194-Q272 PolarHBondContact O-N 3.26Å; D194-M273 HydrophobicContact CB-CB 3.8Å; D194-M273 PolarHBondContact N-O 3.35Å; D194-M273 PolarHBondContact O-N 3.45Å; D194-M273 WeakPolarHBondContact OD2-CB 3.39Å; D194-M273 WeakPolarHBondContact OD2-CE 3.31Å
195I87.1Confident79.2Confident1 Ų164.5 Ų64.51%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-130.8144.9-174.352.6117.7000109.8V197 Y235 M237 M255 F269 N270I195-V197 HydrophobicContact CD1-CG2 3.4Å; I195-Y235 HydrophobicContact CD1-CG 4.46Å; I195-Y235 PolarHBondContact N-O 2.82Å; I195-Y235 WeakPolarHBondContact O-CA 3.43Å; I195-Y235 PolarHBondContact O-N 3.37Å; I195-M237 HydrophobicContact CD1-CE 3.19Å; I195-M237 HydrophobicContact CD1-SD 4.41Å; I195-M237 HydrophobicContact CG1-CE 3.42Å; I195-M237 VanDerWaalsContact CG1-CE 3.42Å; I195-M237 HydrophobicContact CG1-CG 4.03Å; I195-M237 HydrophobicContact CG1-SD 4.03Å; I195-M237 HydrophobicContact CG2-SD 4.5Å; I195-M255 HydrophobicContact CG2-CE 3.47Å; I195-M255 VanDerWaalsContact CG2-CE 3.47Å; I195-M255 HydrophobicContact CG2-CG 4.12Å; I195-M255 HydrophobicContact CG2-SD 4.29Å; I195-F269 HydrophobicContact CB-CE2 3.92Å; I195-F269 HydrophobicContact CB-CZ 4Å; I195-F269 HydrophobicContact CD1-CE2 4.07Å; I195-F269 HydrophobicContact CG2-CE2 4.05Å; I195-F269 HydrophobicContact CG2-CZ 3.62Å; I195-N270 CarbonylContact C-O 3.4Å
196E88.2Confident80Confident47 Ų4766 Ų6622%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-111.8122179.1-151.7176.8101.500107.9P233 R234 F269 N270 Q272E196-P233 CarbonylContact C-O 3.54Å; E196-P233 VanDerWaalsContact CA-O 3.28Å; E196-P233 WeakPolarHBondContact CA-O 3.26Å; E196-P233 HydrophobicContact CG-CB 3.86Å; E196-P233 HydrophobicContact CG-CG 3.59Å; E196-P233 WeakPolarHBondContact CG-O 3.09Å; E196-R234 HydrophobicContact CG-CG 4.32Å; E196-F269 WeakPolarHBondContact O-CA 3.41Å; E196-N270 HydrophobicContact CB-CB 3.98Å; E196-N270 WeakPolarHBondContact CB-O 3.17Å; E196-N270 PolarHBondContact N-O 3.01Å; E196-N270 PolarHBondContact O-N 3.47Å; E196-Q272 PolarHBondContact OE2-NE2 2.87Å
197V83.6Confident80.9Confident4 Ų463.1 Ų63.12%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-124.7118.4-179.9-161.80000107.9I195 V208 P233 Y235 I258 I262 F269I195-V197 HydrophobicContact CD1-CG2 3.4Å; V197-V208 HydrophobicContact CG1-CG1 4.36Å; V197-V208 HydrophobicContact CG1-CG2 4.07Å; V197-P233 PolarHBondContact N-O 2.82Å; V197-Y235 HydrophobicContact CB-CD2 4.04Å; V197-Y235 HydrophobicContact CB-CE2 3.91Å; V197-Y235 HydrophobicContact CG2-CD2 3.84Å; V197-Y235 HydrophobicContact CG2-CE2 4.19Å; V197-I258 HydrophobicContact CG2-CG2 4.4Å; V197-I262 HydrophobicContact CG1-CB 4.29Å; V197-I262 HydrophobicContact CG1-CD1 3.6Å; V197-I262 HydrophobicContact CG1-CG1 3.61Å; V197-F269 HydrophobicContact CG2-CD2 4.2Å; V197-F269 HydrophobicContact CG2-CE2 4.34Å
198A84.3Confident81.7Confident16 Ų1655.4 Ų55.413%0.13228%0.279CS..EExtended strand (participates in β ladder)trans-128.4139.2174.900000109.6Y200 P233 G267 V268A198-Y200 HydrophobicContact CB-CE2 4.3Å; A198-P233 HydrophobicContact CB-CB 4.23Å; A198-G267 CarbonylContact O-C 3.44Å; A198-G267 WeakPolarHBondContact O-CA 3.35Å; A198-V268 PolarHBondContact N-O 2.96Å; A198-V268 PolarHBondContact O-N 3.3Å
199C82.4Confident82.2Confident26 Ų2658.7 Ų58.718%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-135.4122.2168.1-170.30000109V208 I262C199-V208 HydrophobicContact CB-CG2 4.16Å; C199-I262 HydrophobicContact CB-CD1 3.99Å
200Y79.1Confident82.5Confident197 Ų19762.1 Ų62.177%0.77330%0.297SS*.  trans-92.13.9-175.2-59.4-79.8000113.2A198 V268A198-Y200 HydrophobicContact CB-CE2 4.3Å; Y200-V268 HydrophobicContact CE2-CG2 4.07Å
201G76.3Confident82.7Confident44 Ų4458.5 Ų58.545%0.45428%0.281SS..SBendtrans-78159.1176.900000112.9E203 G204G201-E203 PolarHBondContact O-N 3.39Å; G201-G204 WeakPolarHBondContact O-CA 3.31Å; G201-G204 PolarHBondContact O-N 2.89Å
202Y72.2Confident82.6Confident251 Ų25159.8 Ų59.898%0.98429%0.288SS*.THydrogen-bonded Turntrans-61.6-29.5176.4-150.2-96.9000112.3G204Y202-G204 VanDerWaalsContact C-N 3.34Å
203E76.7Confident82.7Confident147 Ų14768 Ų6869%0.68732%0.319SS*.THydrogen-bonded Turntrans-94.419.7171.7-69.2177.179.700112.9G201 I205 D206 A207G201-E203 PolarHBondContact O-N 3.39Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.42Å; E203-D206 PolarHBondContact O-N 3.34Å; E203-A207 PolarHBondContact O-N 3.46Å
204G75.3Confident82.4Confident5 Ų569.4 Ų69.45%0.05233%0.33CS..Hα-helixtrans-62.6-33.9-172.300000113.9G201 Y202 A207 V208G201-G204 WeakPolarHBondContact O-CA 3.31Å; G201-G204 PolarHBondContact O-N 2.89Å; Y202-G204 VanDerWaalsContact C-N 3.34Å; G204-A207 WeakPolarHBondContact O-CB 3.42Å; G204-A207 PolarHBondContact O-N 2.84Å; G204-V208 VanDerWaalsContact O-CG2 3.27Å; G204-V208 WeakPolarHBondContact O-CG2 3.38Å; G204-V208 PolarHBondContact O-N 3.44Å
205I78.2Confident82.1Confident120 Ų12068.5 Ų68.562%0.61533%0.326SS*.Hα-helixtrans-68.6-41.5179.5-59.7169.1000110.9E203 A207 V208 K209E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.42Å; I205-A207 VanDerWaalsContact C-N 3.35Å; I205-V208 PolarHBondContact O-N 3.44Å; I205-K209 HydrophobicContact CG2-CD 4.25Å; I205-K209 WeakPolarHBondContact O-CB 3.42Å; I205-K209 WeakPolarHBondContact O-CG 3.46Å; I205-K209 PolarHBondContact O-N 2.87Å
206D83.2Confident81.8Confident99 Ų9971.4 Ų71.453%0.52934%0.341SS..Hα-helixtrans-67.2-38.1175.7-88.7-86.7000111.3E203 K209 E210E203-D206 PolarHBondContact O-N 3.34Å; D206-K209 PolarHBondContact O-N 3.28Å; D206-E210 WeakPolarHBondContact O-CB 3.39Å; D206-E210 PolarHBondContact O-N 3.01Å
207A83.3Confident81.4Confident2 Ų276.1 Ų76.12%0.01737%0.368CS..Hα-helixtrans-58.9-48.2172.800000112.4E203 G204 I205 E210 A211 I262 K265E203-A207 PolarHBondContact O-N 3.46Å; G204-A207 WeakPolarHBondContact O-CB 3.42Å; G204-A207 PolarHBondContact O-N 2.84Å; I205-A207 VanDerWaalsContact C-N 3.35Å; A207-E210 PolarHBondContact O-N 3.19Å; A207-A211 WeakPolarHBondContact O-CB 3.25Å; A207-A211 PolarHBondContact O-N 3.34Å; A207-I262 HydrophobicContact CB-CD1 4.4Å; A207-K265 HydrophobicContact CB-CB 3.85Å; A207-K265 HydrophobicContact CB-CD 3.4Å; A207-K265 HydrophobicContact CB-CG 4.21Å
208V84.2Confident81Confident13 Ų1377.9 Ų77.98%0.07938%0.38CS..Hα-helixtrans-64.6-43.6178.8174.20000110.5V197 C199 G204 I205 A211 L212 I262V197-V208 HydrophobicContact CG1-CG1 4.36Å; V197-V208 HydrophobicContact CG1-CG2 4.07Å; C199-V208 HydrophobicContact CB-CG2 4.16Å; G204-V208 VanDerWaalsContact O-CG2 3.27Å; G204-V208 WeakPolarHBondContact O-CG2 3.38Å; G204-V208 PolarHBondContact O-N 3.44Å; I205-V208 PolarHBondContact O-N 3.44Å; V208-A211 PolarHBondContact O-N 2.87Å; V208-L212 HydrophobicContact CG1-CD1 3.85Å; V208-L212 HydrophobicContact CG1-CG 4.3Å; V208-L212 WeakPolarHBondContact O-CB 3.1Å; V208-L212 VanDerWaalsContact O-CG 3.23Å; V208-L212 WeakPolarHBondContact O-CG 3.24Å; V208-L212 PolarHBondContact O-N 2.79Å; V208-I262 HydrophobicContact CG2-CD1 3.91Å
209K84.8Confident80.3Confident124 Ų12479.4 Ų79.454%0.53939%0.389SS..Hα-helixtrans-63.6-43.1177.7-76.7177.3-178173.70112.7I205 D206 R213I205-K209 HydrophobicContact CG2-CD 4.25Å; I205-K209 WeakPolarHBondContact O-CB 3.42Å; I205-K209 WeakPolarHBondContact O-CG 3.46Å; I205-K209 PolarHBondContact O-N 2.87Å; D206-K209 PolarHBondContact O-N 3.28Å; K209-R213 WeakPolarHBondContact O-CB 3.34Å; K209-R213 WeakPolarHBondContact O-CG 3.41Å; K209-R213 PolarHBondContact O-N 3.37Å
210E85.7Confident79.8Confident97 Ų9782.4 Ų82.445%0.45341%0.407SS..Hα-helixtrans-62.3-46.3174.8-94.4-165.788.500111.5D206 A207 L212 R213 A214 K265D206-E210 WeakPolarHBondContact O-CB 3.39Å; D206-E210 PolarHBondContact O-N 3.01Å; A207-E210 PolarHBondContact O-N 3.19Å; E210-L212 PolarHBondContact O-N 3.2Å; E210-R213 PolarHBondContact O-N 3.02Å; E210-A214 WeakPolarHBondContact O-CB 3.26Å; E210-A214 PolarHBondContact O-N 3.4Å; E210-K265 IonicContact OE2-NZ 3.9Å; E210-K265 PolarHBondContact OE2-NZ 2.97Å
211A85.2Confident79.1Confident0 Ų082.6 Ų82.60%042%0.415CS..Hα-helixtrans-60.1-48.7179.300000110.8A207 V208 R213 A214 G215 I258 K261A207-A211 WeakPolarHBondContact O-CB 3.25Å; A207-A211 PolarHBondContact O-N 3.34Å; V208-A211 PolarHBondContact O-N 2.87Å; A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 2.89Å; A211-A214 WeakPolarHBondContact O-CB 3Å; A211-A214 PolarHBondContact O-N 2.86Å; A211-A214 VanDerWaalsContact O-N 3.15Å; A211-G215 PolarHBondContact O-N 3.34Å; A211-I258 HydrophobicContact CB-CG2 4.18Å; A211-I258 VanDerWaalsContact O-CG1 3.3Å; A211-I258 WeakPolarHBondContact O-CG1 3.5Å; A211-K261 HydrophobicContact CB-CB 4Å
212L84.6Confident78.6Confident26 Ų2687.9 Ų87.914%0.13643%0.433CS..Hα-helixtrans-61.3-39.6177.2-68.9175.9000112.3V208 E210 G215 L216 I227 Y235V208-L212 HydrophobicContact CG1-CD1 3.85Å; V208-L212 HydrophobicContact CG1-CG 4.3Å; V208-L212 WeakPolarHBondContact O-CB 3.1Å; V208-L212 VanDerWaalsContact O-CG 3.23Å; V208-L212 WeakPolarHBondContact O-CG 3.24Å; V208-L212 PolarHBondContact O-N 2.79Å; E210-L212 PolarHBondContact O-N 3.2Å; L212-G215 PolarHBondContact O-N 3.04Å; L212-L216 WeakPolarHBondContact O-CD1 3.32Å; L212-L216 WeakPolarHBondContact O-CG 3.01Å; L212-L216 PolarHBondContact O-N 2.79Å; L212-I227 HydrophobicContact CD2-CD1 3.95Å; L212-I227 HydrophobicContact CD2-CG2 3.91Å; L212-Y235 HydrophobicContact CD1-CD1 4.09Å; L212-Y235 HydrophobicContact CD1-CE1 3.73Å; L212-Y235 HydrophobicContact CD2-CD1 4.49Å
213R86.7Confident78.6Confident188 Ų18876.8 Ų76.871%0.70939%0.39SS*.Hα-helixtrans-64.7-39.9173.8-81.5-178.9174.5174.7-0.9112.5K209 E210 A211 G215 L216 N217K209-R213 WeakPolarHBondContact O-CB 3.34Å; K209-R213 WeakPolarHBondContact O-CG 3.41Å; K209-R213 PolarHBondContact O-N 3.37Å; E210-R213 PolarHBondContact O-N 3.02Å; A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 2.89Å; R213-G215 VanDerWaalsContact C-N 3.33Å; R213-L216 WeakPolarHBondContact O-CB 3.19Å; R213-L216 PolarHBondContact O-N 2.77Å; R213-N217 WeakPolarHBondContact O-CB 3.41Å; R213-N217 PolarHBondContact O-N 2.85Å
214A82.6Confident78.7Confident30 Ų3073.1 Ų73.125%0.24838%0.379CS..Hα-helixtrans-64.3-39.9176.400000111.4E210 A211 N217 C218 V257E210-A214 WeakPolarHBondContact O-CB 3.26Å; E210-A214 PolarHBondContact O-N 3.4Å; A211-A214 WeakPolarHBondContact O-CB 3Å; A211-A214 PolarHBondContact O-N 2.86Å; A211-A214 VanDerWaalsContact O-N 3.15Å; A214-N217 PolarHBondContact O-N 2.82Å; A214-C218 PolarHBondContact O-N 3.39Å; A214-V257 HydrophobicContact CB-CG1 3.75Å
215G80.6Confident79.1Confident1 Ų173.4 Ų73.41%0.0138%0.379CS..Hα-helixtrans-64-39.3172.700000113.4A211 L212 R213 N217 C218A211-G215 PolarHBondContact O-N 3.34Å; L212-G215 PolarHBondContact O-N 3.04Å; R213-G215 VanDerWaalsContact C-N 3.33Å; G215-N217 VanDerWaalsContact C-N 3.32Å; G215-N217 PolarHBondContact O-N 3.09Å; G215-C218 PolarHBondContact O-N 3.4Å
216L80.9Confident79.3Confident62 Ų6274.4 Ų74.433%0.32538%0.379SS..Hα-helixtrans-64.3-36.2172.8-74.7160000111.9L212 R213 C218 S219 I225 I227L212-L216 WeakPolarHBondContact O-CD1 3.32Å; L212-L216 WeakPolarHBondContact O-CG 3.01Å; L212-L216 PolarHBondContact O-N 2.79Å; R213-L216 WeakPolarHBondContact O-CB 3.19Å; R213-L216 PolarHBondContact O-N 2.77Å; L216-C218 VanDerWaalsContact C-N 3.25Å; L216-C218 PolarHBondContact O-N 3.03Å; L216-S219 WeakPolarHBondContact O-CB 3.24Å; L216-S219 PolarHBondContact O-N 3.29Å; L216-S219 PolarHBondContact O-OG 3.46Å; L216-I225 WeakPolarHBondContact CD2-O 3.43Å; L216-I227 HydrophobicContact CD2-CD1 4.32Å; L216-I227 HydrophobicContact CD2-CG1 4.17Å; L216-I227 HydrophobicContact CG-CD1 3.96Å; L216-I227 HydrophobicContact CG-CG1 4.34Å
217N80.5Confident79.4Confident147 Ų14771.2 Ų71.279%0.78636%0.362SS*.Hα-helixtrans-73.2-15.8-177.8-14317.6000113.6R213 A214 G215 S219R213-N217 WeakPolarHBondContact O-CB 3.41Å; R213-N217 PolarHBondContact O-N 2.85Å; A214-N217 PolarHBondContact O-N 2.82Å; G215-N217 VanDerWaalsContact C-N 3.32Å; G215-N217 PolarHBondContact O-N 3.09Å; N217-S219 PolarHBondContact O-N 3.05Å
218C73.6Confident79.5Confident40 Ų4075.3 Ų75.327%0.2738%0.383SS..THydrogen-bonded Turntrans-73.5-5.3168-79.90000113A214 G215 L216 A254A214-C218 PolarHBondContact O-N 3.39Å; G215-C218 PolarHBondContact O-N 3.4Å; L216-C218 VanDerWaalsContact C-N 3.25Å; L216-C218 PolarHBondContact O-N 3.03Å; C218-A254 HydrophobicContact CB-CB 4.38Å
219S70.3Confident79.4Confident48 Ų4878.8 Ų78.834%0.33640%0.401SS..  trans-71.1136.9174.766.40000111.6L216 N217 M223L216-S219 WeakPolarHBondContact O-CB 3.24Å; L216-S219 PolarHBondContact O-N 3.29Å; L216-S219 PolarHBondContact O-OG 3.46Å; N217-S219 PolarHBondContact O-N 3.05Å; S219-M223 WeakPolarHBondContact CB-O 3.5Å
220T72.7Confident79.3Confident89 Ų8974.1 Ų74.155%0.54638%0.382SS..  trans-91.7154.8171.5-36.10000109.2N222 M223T220-N222 PolarHBondContact O-N 3.19Å; T220-N222 VanDerWaalsContact O-N 3.09Å; T220-M223 CarbonylContact O-C 3.47Å; T220-M223 VanDerWaalsContact O-C 3.26Å; T220-M223 WeakPolarHBondContact O-CA 3.42Å; T220-M223 PolarHBondContact O-N 2.9Å
221E63.1Low78.8Confident201 Ų20170.4 Ų70.494%0.93937%0.368SS*.THydrogen-bonded Turntrans-53.8-33.2-178.2-75.3-178.579.800114M223E221-M223 VanDerWaalsContact C-N 3.28Å; E221-M223 PolarHBondContact O-N 2.75Å
222N67.2Low78.3Confident156 Ų15675.4 Ų75.483%0.83440%0.401SS*.THydrogen-bonded Turntrans-79.6-7.2176.6-71.6-31.2000114.1T220T220-N222 PolarHBondContact O-N 3.19Å; T220-N222 VanDerWaalsContact O-N 3.09Å
223M71Confident78.1Confident18 Ų1876.7 Ų76.79%0.08941%0.41CS..SBendtrans-136.476.9-170.3-175.388.477.400110.6S219 T220 E221 I225 T239 T241 V250S219-M223 WeakPolarHBondContact CB-O 3.5Å; T220-M223 CarbonylContact O-C 3.47Å; T220-M223 VanDerWaalsContact O-C 3.26Å; T220-M223 WeakPolarHBondContact O-CA 3.42Å; T220-M223 PolarHBondContact O-N 2.9Å; E221-M223 VanDerWaalsContact C-N 3.28Å; E221-M223 PolarHBondContact O-N 2.75Å; M223-I225 PolarHBondContact O-N 3.28Å; M223-T239 VanDerWaalsContact CG-OG1 3.27Å; M223-T239 WeakPolarHBondContact CG-OG1 3.26Å; M223-T239 HydrophobicContact SD-CG2 4.38Å; M223-T239 PolarHBondContact SD-OG1 3.14Å; M223-T241 WeakPolarHBondContact CE-OG1 3.21Å; M223-T241 WeakPolarHBondContact SD-CA 3.2Å; M223-T241 WeakPolarHBondContact SD-CB 3.49Å; M223-V250 HydrophobicContact CE-CG2 4.05Å; M223-V250 HydrophobicContact CG-CG2 4.29Å
224P79.3Confident78.1Confident70 Ų7072.8 Ų72.846%0.45540%0.395SS..  trans-67.5123.4177.626.7-32.3000110.3T239P224-T239 PolarHBondContact O-OG1 2.88Å
225I83.3Confident78.3Confident10 Ų1072.8 Ų72.85%0.05139%0.389CS..EExtended strand (participates in β ladder)trans-93.1128.5168.3-58.9174.1000107.6L216 M223 I227 A254L216-I225 WeakPolarHBondContact CD2-O 3.43Å; M223-I225 PolarHBondContact O-N 3.28Å; I225-I227 HydrophobicContact CG2-CG1 4.16Å; I225-A254 HydrophobicContact CD1-CB 4.35Å
226K83.7Confident78.6Confident142 Ų14273 Ų7362%0.61739%0.39SS*.EExtended strand (participates in β ladder)trans-111.6134.7170.2-70.1-176.3179-177.90108.7M237 T238K226-M237 CarbonylContact O-C 3.46Å; K226-M237 WeakPolarHBondContact O-CA 3.44Å; K226-T238 PolarHBondContact N-O 3.29Å; K226-T238 PolarHBondContact O-N 3.34Å
227I84.7Confident78.8Confident31 Ų3170 Ų7016%0.15938%0.375CS..EExtended strand (participates in β ladder)trans-120.5117.5174-47.6176.6000107.7L212 L216 I225 Y235 V236 M237L212-I227 HydrophobicContact CD2-CD1 3.95Å; L212-I227 HydrophobicContact CD2-CG2 3.91Å; L216-I227 HydrophobicContact CD2-CD1 4.32Å; L216-I227 HydrophobicContact CD2-CG1 4.17Å; L216-I227 HydrophobicContact CG-CD1 3.96Å; L216-I227 HydrophobicContact CG-CG1 4.34Å; I225-I227 HydrophobicContact CG2-CG1 4.16Å; I227-Y235 HydrophobicContact CG2-CD1 4.46Å; I227-V236 CarbonylContact C-O 3.6Å; I227-V236 WeakPolarHBondContact CA-O 3.33Å; I227-M237 HydrophobicContact CD1-CE 4.03Å; I227-M237 HydrophobicContact CD1-CG 4.44Å; I227-M237 HydrophobicContact CG1-CG 4.08Å; I227-M237 HydrophobicContact CG2-CG 4.12Å
228N84.5Confident79.1Confident88 Ų8864.8 Ų64.847%0.47135%0.348SS..EExtended strand (participates in β ladder)trans-109.9146.7175.6-71.8-19.3000109.6Y235 V236N228-Y235 WeakPolarHBondContact O-CA 3.29Å; N228-V236 HydrophobicContact CB-CG1 3.76Å; N228-V236 PolarHBondContact N-O 3.44Å; N228-V236 PolarHBondContact O-N 3.34Å
229L83.5Confident79.7Confident87 Ų8762.9 Ų62.946%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-88.1126.8169.4-178.4153.3000107.5Y235L229-Y235 HydrophobicContact CB-CD1 4.01Å; L229-Y235 HydrophobicContact CB-CE1 3.91Å; L229-Y235 HydrophobicContact CD1-CD1 4.49Å; L229-Y235 HydrophobicContact CD1-CE1 3.67Å; L229-Y235 HydrophobicContact CG-CD1 4.36Å; L229-Y235 HydrophobicContact CG-CE1 4.01Å
230I80.8Confident80.4Confident25 Ų2563.2 Ų63.213%0.12834%0.335CS..EExtended strand (participates in β ladder)trans-90.2-55.9173.2-58.5-174.6000108.7R234 V236 L286 M290 L293I230-R234 PolarHBondContact N-O 2.92Å; I230-V236 HydrophobicContact CD1-CB 3.76Å; I230-V236 HydrophobicContact CD1-CG1 3.88Å; I230-V236 HydrophobicContact CG1-CB 4.03Å; I230-V236 HydrophobicContact CG1-CG1 3.7Å; I230-L286 HydrophobicContact CD1-CD1 4.15Å; I230-M290 HydrophobicContact CB-SD 4.02Å; I230-M290 HydrophobicContact CD1-SD 4.33Å; I230-M290 HydrophobicContact CG1-SD 3.7Å; I230-M290 HydrophobicContact CG2-SD 3.76Å; I230-L293 HydrophobicContact CG2-CD1 3.41Å; I230-L293 VanDerWaalsContact CG2-CD1 3.41Å
231A75.5Confident80.8Confident20 Ų2059.3 Ų59.317%0.16531%0.311CS..EExtended strand (participates in β ladder)trans-156.4137.6177.200000107.7P233 R234A231-P233 CarbonylContact O-C 3.57Å; A231-R234 PolarHBondContact N-O 2.97Å; A231-R234 CarbonylContact O-C 3.57Å; A231-R234 VanDerWaalsContact O-CA 3.26Å; A231-R234 WeakPolarHBondContact O-CA 3.35Å; A231-R234 WeakPolarHBondContact O-CB 3.32Å; A231-R234 PolarHBondContact O-N 3.29Å
232P75.4Confident81.4Confident105 Ų10554.9 Ų54.968%0.68229%0.293SS*.THydrogen-bonded Turntrans-61.4131.3174.725.5-30.6000109.8
233P79.6Confident81.8Confident52 Ų5252.3 Ų52.334%0.33828%0.277SS..THydrogen-bonded Turncis-97.114.4434.8-31.3000116.5E196 V197 A198 A231 Y235E196-P233 CarbonylContact C-O 3.54Å; E196-P233 VanDerWaalsContact CA-O 3.28Å; E196-P233 WeakPolarHBondContact CA-O 3.26Å; E196-P233 HydrophobicContact CG-CB 3.86Å; E196-P233 HydrophobicContact CG-CG 3.59Å; E196-P233 WeakPolarHBondContact CG-O 3.09Å; V197-P233 PolarHBondContact N-O 2.82Å; A198-P233 HydrophobicContact CB-CB 4.23Å; A231-P233 CarbonylContact O-C 3.57Å; P233-Y235 VanDerWaalsContact O-CD2 3.31Å; P233-Y235 WeakPolarHBondContact O-CD2 3.36Å; P233-Y235 WeakPolarHBondContact O-CE2 3.43Å
234R87.6Confident82.1Confident106 Ų10659.3 Ų59.340%0.430%0.302SS..EExtended strand (participates in β ladder)trans-83.7127.2178.9-74.9177.9157.8-172.4-6.6114.5E196 I230 A231 Q272E196-R234 HydrophobicContact CG-CG 4.32Å; I230-R234 PolarHBondContact N-O 2.92Å; A231-R234 PolarHBondContact N-O 2.97Å; A231-R234 CarbonylContact O-C 3.57Å; A231-R234 VanDerWaalsContact O-CA 3.26Å; A231-R234 WeakPolarHBondContact O-CA 3.35Å; A231-R234 WeakPolarHBondContact O-CB 3.32Å; A231-R234 PolarHBondContact O-N 3.29Å; R234-Q272 VanDerWaalsContact NH2-NE2 3.12Å
235Y86.1Confident82.3Confident31 Ų3160.8 Ų60.812%0.12231%0.31CS..EExtended strand (participates in β ladder)trans-119.6146.7174.5-64.1-93.9000110.4I195 V197 L212 I227 N228 L229 P233I195-Y235 HydrophobicContact CD1-CG 4.46Å; I195-Y235 PolarHBondContact N-O 2.82Å; I195-Y235 WeakPolarHBondContact O-CA 3.43Å; I195-Y235 PolarHBondContact O-N 3.37Å; V197-Y235 HydrophobicContact CB-CD2 4.04Å; V197-Y235 HydrophobicContact CB-CE2 3.91Å; V197-Y235 HydrophobicContact CG2-CD2 3.84Å; V197-Y235 HydrophobicContact CG2-CE2 4.19Å; L212-Y235 HydrophobicContact CD1-CD1 4.09Å; L212-Y235 HydrophobicContact CD1-CE1 3.73Å; L212-Y235 HydrophobicContact CD2-CD1 4.49Å; I227-Y235 HydrophobicContact CG2-CD1 4.46Å; N228-Y235 WeakPolarHBondContact O-CA 3.29Å; L229-Y235 HydrophobicContact CB-CD1 4.01Å; L229-Y235 HydrophobicContact CB-CE1 3.91Å; L229-Y235 HydrophobicContact CD1-CD1 4.49Å; L229-Y235 HydrophobicContact CD1-CE1 3.67Å; L229-Y235 HydrophobicContact CG-CD1 4.36Å; L229-Y235 HydrophobicContact CG-CE1 4.01Å; P233-Y235 VanDerWaalsContact O-CD2 3.31Å; P233-Y235 WeakPolarHBondContact O-CD2 3.36Å; P233-Y235 WeakPolarHBondContact O-CE2 3.43Å
236V87.3Confident82.2Confident4 Ų466 Ų662%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-114.4127.4173.2640000109.8R192 D194 I227 N228 I230R192-V236 HydrophobicContact CG-CG2 3.68Å; D194-V236 WeakPolarHBondContact OD1-CG2 3.34Å; I227-V236 CarbonylContact C-O 3.6Å; I227-V236 WeakPolarHBondContact CA-O 3.33Å; N228-V236 HydrophobicContact CB-CG1 3.76Å; N228-V236 PolarHBondContact N-O 3.44Å; N228-V236 PolarHBondContact O-N 3.34Å; I230-V236 HydrophobicContact CD1-CB 3.76Å; I230-V236 HydrophobicContact CD1-CG1 3.88Å; I230-V236 HydrophobicContact CG1-CB 4.03Å; I230-V236 HydrophobicContact CG1-CG1 3.7Å
237M85.7Confident82Confident1 Ų159.2 Ų59.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-102129.2172.2-56.4-179.9168.600108.2R192 A193 I195 K226 I227 L251 M255 I258R192-M237 CarbonylContact C-O 3.58Å; R192-M237 VanDerWaalsContact CA-O 3.23Å; R192-M237 WeakPolarHBondContact CA-O 3.44Å; A193-M237 HydrophobicContact CB-CB 4.45Å; A193-M237 PolarHBondContact N-O 3.25Å; A193-M237 PolarHBondContact O-N 2.77Å; I195-M237 HydrophobicContact CD1-CE 3.19Å; I195-M237 HydrophobicContact CD1-SD 4.41Å; I195-M237 HydrophobicContact CG1-CE 3.42Å; I195-M237 VanDerWaalsContact CG1-CE 3.42Å; I195-M237 HydrophobicContact CG1-CG 4.03Å; I195-M237 HydrophobicContact CG1-SD 4.03Å; I195-M237 HydrophobicContact CG2-SD 4.5Å; K226-M237 CarbonylContact O-C 3.46Å; K226-M237 WeakPolarHBondContact O-CA 3.44Å; I227-M237 HydrophobicContact CD1-CE 4.03Å; I227-M237 HydrophobicContact CD1-CG 4.44Å; I227-M237 HydrophobicContact CG1-CG 4.08Å; I227-M237 HydrophobicContact CG2-CG 4.12Å; M237-L251 HydrophobicContact CB-CD2 3.72Å; M237-L251 HydrophobicContact SD-CD2 4.03Å; M237-M255 HydrophobicContact SD-CG 4.02Å; M237-I258 HydrophobicContact CE-CD1 3.06Å; M237-I258 HydrophobicContact SD-CD1 4.32Å
238T86.4Confident81.9Confident37 Ų3760.6 Ų60.623%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-125.1133.5174.6-100000108.8I191 R192 K226I191-T238 CarbonylContact O-C 3.52Å; I191-T238 WeakPolarHBondContact O-CA 3.2Å; R192-T238 HydrophobicContact CB-CG2 4.46Å; K226-T238 PolarHBondContact N-O 3.29Å; K226-T238 PolarHBondContact O-N 3.34Å
239T85.5Confident82Confident0 Ų059.9 Ų59.90%031%0.313CS..EExtended strand (participates in β ladder)trans-132.6150.5171.8-166.20000110K190 I191 M223 P224 L251K190-T239 CarbonylContact C-O 3.47Å; K190-T239 WeakPolarHBondContact CA-O 3.09Å; I191-T239 HydrophobicContact CB-CG2 3.89Å; I191-T239 PolarHBondContact N-O 2.59Å; I191-T239 PolarHBondContact O-N 2.99Å; M223-T239 VanDerWaalsContact CG-OG1 3.27Å; M223-T239 WeakPolarHBondContact CG-OG1 3.26Å; M223-T239 HydrophobicContact SD-CG2 4.38Å; M223-T239 PolarHBondContact SD-OG1 3.14Å; P224-T239 PolarHBondContact O-OG1 2.88Å; T239-L251 HydrophobicContact CG2-CD1 3.38Å; T239-L251 HydrophobicContact CG2-CG 3.97Å
240T85Confident82Confident55 Ų5557 Ų5734%0.33730%0.3SS..EExtended strand (participates in β ladder)trans-113.9113.8179.1-56.70000107.9A188A188-T240 HydrophobicContact CB-CG2 3.52Å
241T82Confident82.2Confident6 Ų655.9 Ų55.94%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-121.6151.7-178.6-171.20000112.2A188 V189 I191 M223 E243A188-T241 CarbonylContact C-O 3.47Å; A188-T241 WeakPolarHBondContact CA-O 3.42Å; V189-T241 HydrophobicContact CB-CG2 4.39Å; V189-T241 PolarHBondContact N-O 3.42Å; V189-T241 PolarHBondContact O-N 3.37Å; I191-T241 HydrophobicContact CD1-CG2 3.53Å; I191-T241 HydrophobicContact CG1-CG2 4.09Å; M223-T241 WeakPolarHBondContact CE-OG1 3.21Å; M223-T241 WeakPolarHBondContact SD-CA 3.2Å; M223-T241 WeakPolarHBondContact SD-CB 3.49Å; T241-E243 VanDerWaalsContact CG2-O 3.24Å; T241-E243 WeakPolarHBondContact CG2-O 3.19Å; T241-E243 PolarHBondContact OG1-N 3.31Å; T241-E243 PolarHBondContact OG1-O 2.91Å
242L75.5Confident82.7Confident108 Ų10857.6 Ų57.657%0.56531%0.305SS*.SBendtrans-78.4-29.9164.2-63.6169.1000111.6P186 A188P186-L242 HydrophobicContact CG-CB 4.39Å; P186-L242 HydrophobicContact CG-CD2 4.29Å; P186-L242 WeakPolarHBondContact O-CD2 3.41Å; A188-L242 HydrophobicContact CB-CD2 4.3Å
243E76.2Confident83.3Confident103 Ų10357.9 Ų57.948%0.48130%0.297SS..  trans-120.4117.4-170.6-169.5147.6117.900111.9T241 T245 E246 G247T241-E243 VanDerWaalsContact CG2-O 3.24Å; T241-E243 WeakPolarHBondContact CG2-O 3.19Å; T241-E243 PolarHBondContact OG1-N 3.31Å; T241-E243 PolarHBondContact OG1-O 2.91Å; E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 2.89Å; E243-E246 HydrophobicContact CB-CB 4.39Å; E243-E246 HydrophobicContact CG-CG 4.4Å; E243-E246 PolarHBondContact O-N 2.98Å; E243-G247 PolarHBondContact O-N 2.9Å
244R76.5Confident83.6Confident165 Ų16555.5 Ų55.562%0.62328%0.281SS*.Hα-helixtrans-57.6-43.4-172.9-64.4177.8-178.8151.10.2112.4V189 L248 V277V189-R244 HydrophobicContact CG2-CG 4.38Å; R244-L248 WeakPolarHBondContact O-CG 3.03Å; R244-L248 PolarHBondContact O-N 3.17Å; R244-L248 VanDerWaalsContact O-N 3.09Å; R244-V277 HydrophobicContact CG-CG2 4.29Å
245T83.4Confident83.5Confident100 Ų10051.1 Ų51.161%0.61327%0.266SS*.Hα-helixtrans-69.5-47-176.129.90000112.2E243 L248 S249E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 2.89Å; T245-L248 PolarHBondContact O-N 3.4Å; T245-S249 PolarHBondContact O-N 3.46Å; T245-S249 VanDerWaalsContact O-N 3.11Å
246E80.9Confident83.6Confident120 Ų12052.4 Ų52.456%0.56128%0.282SS*.Hα-helixtrans-63.5-44.4176.5-69.6-164.793.300111.1E243 L248 S249 V250E243-E246 HydrophobicContact CB-CB 4.39Å; E243-E246 HydrophobicContact CG-CG 4.4Å; E243-E246 PolarHBondContact O-N 2.98Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 3.42Å; E246-S249 WeakPolarHBondContact O-CB 3.43Å; E246-S249 PolarHBondContact O-N 2.91Å; E246-S249 VanDerWaalsContact O-N 3.09Å; E246-V250 WeakPolarHBondContact O-CG2 3.44Å; E246-V250 PolarHBondContact O-N 3.37Å
247G79.1Confident83.7Confident0 Ų054.2 Ų54.20%029%0.293CS..Hα-helixtrans-59.5-39.617800000114.2I191 E243 V250 L251I191-G247 VanDerWaalsContact CD1-C 3.47Å; E243-G247 PolarHBondContact O-N 2.9Å; G247-V250 VanDerWaalsContact O-CG2 3.25Å; G247-V250 WeakPolarHBondContact O-CG2 3.37Å; G247-L251 WeakPolarHBondContact O-CB 3.4Å; G247-L251 PolarHBondContact O-N 3.17Å
248L83.4Confident83.7Confident59 Ų5954.1 Ų54.131%0.30929%0.293SS..Hα-helixtrans-66.8-39174.1-71.8170.5000111.8I191 R244 T245 E246 S252 P275I191-L248 HydrophobicContact CD1-CD2 4.44Å; I191-L248 HydrophobicContact CD1-CG 4.26Å; I191-L248 HydrophobicContact CG2-CD2 3.98Å; R244-L248 WeakPolarHBondContact O-CG 3.03Å; R244-L248 PolarHBondContact O-N 3.17Å; R244-L248 VanDerWaalsContact O-N 3.09Å; T245-L248 PolarHBondContact O-N 3.4Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 3.42Å; L248-S252 WeakPolarHBondContact O-CB 3.33Å; L248-S252 PolarHBondContact O-N 2.87Å; L248-S252 PolarHBondContact O-OG 3.3Å; L248-P275 HydrophobicContact CD2-CB 3.8Å; L248-P275 HydrophobicContact CD2-CG 4.17Å; L248-P275 WeakPolarHBondContact CD2-O 3.19Å
249S85.9Confident83.8Confident73 Ų7357.1 Ų57.151%0.5130%0.303SS..Hα-helixtrans-68.1-45.6-179.2-162.10000111.7T245 E246 L251 S252 Q253T245-S249 PolarHBondContact O-N 3.46Å; T245-S249 VanDerWaalsContact O-N 3.11Å; E246-S249 WeakPolarHBondContact O-CB 3.43Å; E246-S249 PolarHBondContact O-N 2.91Å; E246-S249 VanDerWaalsContact O-N 3.09Å; S249-L251 PolarHBondContact O-N 3.44Å; S249-S252 PolarHBondContact O-N 2.9Å; S249-Q253 WeakPolarHBondContact O-CB 3.18Å; S249-Q253 PolarHBondContact O-N 3.26Å
250V84.1Confident83.9Confident28 Ų2863.6 Ų63.617%0.1733%0.333CS..Hα-helixtrans-65.6-38.2178.5-63.50000112.1M223 E246 G247 Q253 A254M223-V250 HydrophobicContact CE-CG2 4.05Å; M223-V250 HydrophobicContact CG-CG2 4.29Å; E246-V250 WeakPolarHBondContact O-CG2 3.44Å; E246-V250 PolarHBondContact O-N 3.37Å; G247-V250 VanDerWaalsContact O-CG2 3.25Å; G247-V250 WeakPolarHBondContact O-CG2 3.37Å; V250-Q253 PolarHBondContact O-N 2.96Å; V250-A254 WeakPolarHBondContact O-CB 3.36Å; V250-A254 PolarHBondContact O-N 3.24Å
251L85Confident83.9Confident0 Ų064.1 Ų64.10%033%0.331CS..Hα-helixtrans-64.9-44.3174.6-107.1161.9000111.5I191 A193 M237 T239 G247 S249 Q253 A254 M255 P275I191-L251 HydrophobicContact CB-CD1 3.79Å; I191-L251 HydrophobicContact CG2-CD1 3.34Å; A193-L251 HydrophobicContact CB-CD2 3.96Å; M237-L251 HydrophobicContact CB-CD2 3.72Å; M237-L251 HydrophobicContact SD-CD2 4.03Å; T239-L251 HydrophobicContact CG2-CD1 3.38Å; T239-L251 HydrophobicContact CG2-CG 3.97Å; G247-L251 WeakPolarHBondContact O-CB 3.4Å; G247-L251 PolarHBondContact O-N 3.17Å; S249-L251 PolarHBondContact O-N 3.44Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.08Å; L251-A254 PolarHBondContact O-N 2.88Å; L251-M255 WeakPolarHBondContact O-CB 3.47Å; L251-M255 VanDerWaalsContact O-CG 3.23Å; L251-M255 WeakPolarHBondContact O-CG 3.26Å; L251-M255 PolarHBondContact O-N 2.94Å; L251-P275 HydrophobicContact CB-CB 3.99Å; L251-P275 HydrophobicContact CD1-CB 4.11Å
252S87Confident84Confident56 Ų5663.9 Ų63.939%0.39233%0.329SS..Hα-helixtrans-62.9-39.5177.3-59.50000111.6L248 S249 M255 A256L248-S252 WeakPolarHBondContact O-CB 3.33Å; L248-S252 PolarHBondContact O-N 2.87Å; L248-S252 PolarHBondContact O-OG 3.3Å; S249-S252 PolarHBondContact O-N 2.9Å; S252-M255 PolarHBondContact O-N 3.38Å; S252-A256 WeakPolarHBondContact O-CB 3.42Å; S252-A256 PolarHBondContact O-N 2.85Å
253Q87.5Confident84.4Confident112 Ų11264 Ų6452%0.52333%0.327SS..Hα-helixtrans-66.5-43.6175.4-171.5171.1-4.100111.6S249 V250 L251 M255 A256 V257S249-Q253 WeakPolarHBondContact O-CB 3.18Å; S249-Q253 PolarHBondContact O-N 3.26Å; V250-Q253 PolarHBondContact O-N 2.96Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.08Å; Q253-M255 VanDerWaalsContact C-N 3.32Å; Q253-M255 PolarHBondContact O-N 3.44Å; Q253-A256 PolarHBondContact O-N 3.45Å; Q253-V257 WeakPolarHBondContact O-CG2 3.21Å; Q253-V257 PolarHBondContact O-N 2.91Å
254A85.7Confident84.8Confident1 Ų165.2 Ų65.21%0.00833%0.333CS..Hα-helixtrans-60.5-42.1174.500000111.7C218 I225 V250 L251 V257 I258C218-A254 HydrophobicContact CB-CB 4.38Å; I225-A254 HydrophobicContact CD1-CB 4.35Å; V250-A254 WeakPolarHBondContact O-CB 3.36Å; V250-A254 PolarHBondContact O-N 3.24Å; L251-A254 PolarHBondContact O-N 2.88Å; A254-V257 PolarHBondContact O-N 3.43Å; A254-I258 WeakPolarHBondContact O-CB 3.27Å; A254-I258 WeakPolarHBondContact O-CD1 3.5Å; A254-I258 WeakPolarHBondContact O-CG1 3.49Å; A254-I258 PolarHBondContact O-N 3.18Å
255M86Confident84.9Confident15 Ų1560.9 Ų60.97%0.07432%0.318CS..Hα-helixtrans-62.7-41174.8-70.7170.974.300112.1A193 I195 M237 L251 S252 Q253 I258 K259 F269 V271A193-M255 HydrophobicContact CB-SD 3.96Å; I195-M255 HydrophobicContact CG2-CE 3.47Å; I195-M255 VanDerWaalsContact CG2-CE 3.47Å; I195-M255 HydrophobicContact CG2-CG 4.12Å; I195-M255 HydrophobicContact CG2-SD 4.29Å; M237-M255 HydrophobicContact SD-CG 4.02Å; L251-M255 WeakPolarHBondContact O-CB 3.47Å; L251-M255 VanDerWaalsContact O-CG 3.23Å; L251-M255 WeakPolarHBondContact O-CG 3.26Å; L251-M255 PolarHBondContact O-N 2.94Å; S252-M255 PolarHBondContact O-N 3.38Å; Q253-M255 VanDerWaalsContact C-N 3.32Å; Q253-M255 PolarHBondContact O-N 3.44Å; M255-I258 PolarHBondContact O-N 3.34Å; M255-K259 VanDerWaalsContact O-CB 3.28Å; M255-K259 WeakPolarHBondContact O-CB 3.47Å; M255-K259 PolarHBondContact O-N 2.87Å; M255-F269 HydrophobicContact CB-CZ 4.17Å; M255-F269 HydrophobicContact CE-CZ 4.36Å; M255-F269 HydrophobicContact CG-CZ 4.46Å; M255-V271 HydrophobicContact CE-CB 4.05Å; M255-V271 HydrophobicContact CE-CG1 3.46Å; M255-V271 VanDerWaalsContact CE-CG1 3.46Å; M255-V271 HydrophobicContact CE-CG2 3.36Å
256A88.3Confident84.7Confident57 Ų5766.9 Ų66.947%0.47133%0.33SS..Hα-helixtrans-64.3-4317700000112S252 Q253 K259 E260S252-A256 WeakPolarHBondContact O-CB 3.42Å; S252-A256 PolarHBondContact O-N 2.85Å; Q253-A256 PolarHBondContact O-N 3.45Å; A256-K259 WeakPolarHBondContact O-CB 3.31Å; A256-K259 PolarHBondContact O-N 2.77Å; A256-E260 PolarHBondContact O-N 2.81Å
257V88.3Confident84.7Confident42 Ų4261.7 Ų61.726%0.25531%0.308SS..Hα-helixtrans-63.4-42.1176172.40000111.2A214 Q253 A254 E260 K261A214-V257 HydrophobicContact CB-CG1 3.75Å; Q253-V257 WeakPolarHBondContact O-CG2 3.21Å; Q253-V257 PolarHBondContact O-N 2.91Å; A254-V257 PolarHBondContact O-N 3.43Å; V257-E260 PolarHBondContact O-N 2.85Å; V257-K261 WeakPolarHBondContact O-CB 3.49Å; V257-K261 PolarHBondContact O-N 3.18Å
258I86.1Confident84.9Confident0 Ų065.4 Ų65.40%033%0.331CS..Hα-helixtrans-63.2-44.8176.3-70.6165000110.6V197 A211 M237 A254 M255 K261 I262 F269V197-I258 HydrophobicContact CG2-CG2 4.4Å; A211-I258 HydrophobicContact CB-CG2 4.18Å; A211-I258 VanDerWaalsContact O-CG1 3.3Å; A211-I258 WeakPolarHBondContact O-CG1 3.5Å; M237-I258 HydrophobicContact CE-CD1 3.06Å; M237-I258 HydrophobicContact SD-CD1 4.32Å; A254-I258 WeakPolarHBondContact O-CB 3.27Å; A254-I258 WeakPolarHBondContact O-CD1 3.5Å; A254-I258 WeakPolarHBondContact O-CG1 3.49Å; A254-I258 PolarHBondContact O-N 3.18Å; M255-I258 PolarHBondContact O-N 3.34Å; I258-K261 PolarHBondContact O-N 3.17Å; I258-I262 WeakPolarHBondContact O-CB 3.22Å; I258-I262 VanDerWaalsContact O-CG2 3.25Å; I258-I262 WeakPolarHBondContact O-CG2 3.27Å; I258-I262 PolarHBondContact O-N 3.01Å; I258-F269 HydrophobicContact CB-CE2 4.31Å; I258-F269 HydrophobicContact CG2-CD2 3.89Å; I258-F269 HydrophobicContact CG2-CE2 3.62Å
259K87.6Confident85Confident99 Ų9964 Ų6443%0.4332%0.322SS..Hα-helixtrans-59.1-47177179.9176.2175.4-179.30111.5M255 A256 I262 E263 F269M255-K259 VanDerWaalsContact O-CB 3.28Å; M255-K259 WeakPolarHBondContact O-CB 3.47Å; M255-K259 PolarHBondContact O-N 2.87Å; A256-K259 WeakPolarHBondContact O-CB 3.31Å; A256-K259 PolarHBondContact O-N 2.77Å; K259-I262 WeakPolarHBondContact O-CG2 3.32Å; K259-I262 PolarHBondContact O-N 3.13Å; K259-E263 WeakPolarHBondContact CE-OE2 3.49Å; K259-E263 HydrophobicContact CG-CG 4.45Å; K259-E263 VanDerWaalsContact CG-OE2 3.24Å; K259-E263 WeakPolarHBondContact CG-OE2 3.32Å; K259-E263 WeakPolarHBondContact O-CB 3.35Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 2.97Å; K259-F269 HydrophobicContact CB-CB 4.39Å; K259-F269 HydrophobicContact CB-CD1 3.77Å; K259-F269 HydrophobicContact CB-CE1 4.12Å; K259-F269 HydrophobicContact CB-CG 4Å; K259-F269 HydrophobicContact CD-CD1 4.04Å; K259-F269 HydrophobicContact CG-CB 4.18Å; K259-F269 HydrophobicContact CG-CD1 3.92Å; K259-F269 HydrophobicContact CG-CG 4.22Å
260E88.4Confident85.1Confident137 Ų13765 Ų6564%0.6432%0.322SS*.Hα-helixtrans-61.8-47.1178.4-171.4-178.295.100111.6A256 V257 I262 E263 E264A256-E260 PolarHBondContact O-N 2.81Å; V257-E260 PolarHBondContact O-N 2.85Å; E260-I262 PolarHBondContact O-N 2.87Å; E260-E263 PolarHBondContact O-N 2.97Å; E260-E264 WeakPolarHBondContact O-CB 3.31Å; E260-E264 PolarHBondContact O-N 2.93Å
261K84.2Confident85.3Confident66 Ų6666.3 Ų66.329%0.28733%0.33SS..Hα-helixtrans-66.9-35-179.3-83.4-73.7153.9-162.30113.6A211 V257 I258 E264A211-K261 HydrophobicContact CB-CB 4Å; V257-K261 WeakPolarHBondContact O-CB 3.49Å; V257-K261 PolarHBondContact O-N 3.18Å; I258-K261 PolarHBondContact O-N 3.17Å; K261-E264 IonicContact NZ-OE1 3.87Å; K261-E264 PolarHBondContact NZ-OE1 3.25Å; K261-E264 IonicContact NZ-OE2 2.66Å
262I84.1Confident85.2Confident0 Ų070.4 Ų70.40%035%0.349CS..Hα-helixtrans-78.1-37179.1-161.570.4000111.5V197 C199 A207 V208 I258 K259 E260 K265 R266 G267 F269V197-I262 HydrophobicContact CG1-CB 4.29Å; V197-I262 HydrophobicContact CG1-CD1 3.6Å; V197-I262 HydrophobicContact CG1-CG1 3.61Å; C199-I262 HydrophobicContact CB-CD1 3.99Å; A207-I262 HydrophobicContact CB-CD1 4.4Å; V208-I262 HydrophobicContact CG2-CD1 3.91Å; I258-I262 WeakPolarHBondContact O-CB 3.22Å; I258-I262 VanDerWaalsContact O-CG2 3.25Å; I258-I262 WeakPolarHBondContact O-CG2 3.27Å; I258-I262 PolarHBondContact O-N 3.01Å; K259-I262 WeakPolarHBondContact O-CG2 3.32Å; K259-I262 PolarHBondContact O-N 3.13Å; E260-I262 PolarHBondContact O-N 2.87Å; I262-K265 PolarHBondContact O-N 3.38Å; I262-R266 PolarHBondContact O-N 3.33Å; I262-G267 WeakPolarHBondContact O-CA 3.12Å; I262-G267 PolarHBondContact O-N 3.31Å; I262-F269 HydrophobicContact CG2-CB 3.69Å; I262-F269 HydrophobicContact CG2-CD2 4.37Å; I262-F269 HydrophobicContact CG2-CG 4.4Å
263E84.3Confident85Confident112 Ų11270.2 Ų70.252%0.52334%0.342SS..Hα-helixtrans-66.6-36.4174.1-74-169.59500111.9K259 E260 K265 R266K259-E263 WeakPolarHBondContact CE-OE2 3.49Å; K259-E263 HydrophobicContact CG-CG 4.45Å; K259-E263 VanDerWaalsContact CG-OE2 3.24Å; K259-E263 WeakPolarHBondContact CG-OE2 3.32Å; K259-E263 WeakPolarHBondContact O-CB 3.35Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 2.97Å; E260-E263 PolarHBondContact O-N 2.97Å; E263-K265 PolarHBondContact O-N 3.46Å; E263-R266 PolarHBondContact O-N 2.91Å
264E84Confident84.9Confident127 Ų12772.3 Ų72.359%0.59335%0.352SS*.Hα-helixtrans-56.1-37174.6-176176.572.900112.2E260 K261E260-E264 WeakPolarHBondContact O-CB 3.31Å; E260-E264 PolarHBondContact O-N 2.93Å; K261-E264 IonicContact NZ-OE1 3.87Å; K261-E264 PolarHBondContact NZ-OE1 3.25Å; K261-E264 IonicContact NZ-OE2 2.66Å
265K79.2Confident84.9Confident74 Ų7473.5 Ų73.532%0.32236%0.36SS..THydrogen-bonded Turntrans-95.920.8178.1-70-166.2178.2176.80114A207 E210 I262 E263 G267A207-K265 HydrophobicContact CB-CB 3.85Å; A207-K265 HydrophobicContact CB-CD 3.4Å; A207-K265 HydrophobicContact CB-CG 4.21Å; E210-K265 IonicContact OE2-NZ 3.9Å; E210-K265 PolarHBondContact OE2-NZ 2.97Å; I262-K265 PolarHBondContact O-N 3.38Å; E263-K265 PolarHBondContact O-N 3.46Å; K265-G267 VanDerWaalsContact C-N 3.29Å; K265-G267 PolarHBondContact O-N 3.48Å
266R79.6Confident84.8Confident227 Ų22777.7 Ų77.786%0.85738%0.377SS*.THydrogen-bonded Turntrans58.631.6-179.1-62.2-178.5173.7179-1.5114.7I262 E263I262-R266 PolarHBondContact O-N 3.33Å; E263-R266 PolarHBondContact O-N 2.91Å
267G80.9Confident84.5Confident10 Ų1077.1 Ų77.110%0.10337%0.368CS..EExtended strand (participates in β ladder)trans-90.3172.2168.100000112.8A198 I262 K265A198-G267 CarbonylContact O-C 3.44Å; A198-G267 WeakPolarHBondContact O-CA 3.35Å; I262-G267 WeakPolarHBondContact O-CA 3.12Å; I262-G267 PolarHBondContact O-N 3.31Å; K265-G267 VanDerWaalsContact C-N 3.29Å; K265-G267 PolarHBondContact O-N 3.48Å
268V83.5Confident84Confident79 Ų7976 Ų7648%0.47936%0.362SS..EExtended strand (participates in β ladder)trans-110.9130.6179.5-176.70000108.5A198 Y200A198-V268 PolarHBondContact N-O 2.96Å; A198-V268 PolarHBondContact O-N 3.3Å; Y200-V268 HydrophobicContact CE2-CG2 4.07Å
269F85.5Confident83.5Confident29 Ų2979.5 Ų79.513%0.12738%0.383CS..EExtended strand (participates in β ladder)trans-116.5127.2172.9-174-101.4000109.6I195 E196 V197 M255 I258 K259 I262 V271I195-F269 HydrophobicContact CB-CE2 3.92Å; I195-F269 HydrophobicContact CB-CZ 4Å; I195-F269 HydrophobicContact CD1-CE2 4.07Å; I195-F269 HydrophobicContact CG2-CE2 4.05Å; I195-F269 HydrophobicContact CG2-CZ 3.62Å; E196-F269 WeakPolarHBondContact O-CA 3.41Å; V197-F269 HydrophobicContact CG2-CD2 4.2Å; V197-F269 HydrophobicContact CG2-CE2 4.34Å; M255-F269 HydrophobicContact CB-CZ 4.17Å; M255-F269 HydrophobicContact CE-CZ 4.36Å; M255-F269 HydrophobicContact CG-CZ 4.46Å; I258-F269 HydrophobicContact CB-CE2 4.31Å; I258-F269 HydrophobicContact CG2-CD2 3.89Å; I258-F269 HydrophobicContact CG2-CE2 3.62Å; K259-F269 HydrophobicContact CB-CB 4.39Å; K259-F269 HydrophobicContact CB-CD1 3.77Å; K259-F269 HydrophobicContact CB-CE1 4.12Å; K259-F269 HydrophobicContact CB-CG 4Å; K259-F269 HydrophobicContact CD-CD1 4.04Å; K259-F269 HydrophobicContact CG-CB 4.18Å; K259-F269 HydrophobicContact CG-CD1 3.92Å; K259-F269 HydrophobicContact CG-CG 4.22Å; I262-F269 HydrophobicContact CG2-CB 3.69Å; I262-F269 HydrophobicContact CG2-CD2 4.37Å; I262-F269 HydrophobicContact CG2-CG 4.4Å; F269-V271 HydrophobicContact CD1-CG2 4.23Å; F269-V271 HydrophobicContact CE1-CG2 3.46Å; F269-V271 VanDerWaalsContact CE1-CG2 3.46Å; F269-V271 HydrophobicContact CZ-CG2 4.14Å
270N87.3Confident82.7Confident93 Ų9381.1 Ų81.150%0.49740%0.396SS..EExtended strand (participates in β ladder)trans-131.5136.7175.2-15012.4000110.8I195 E196I195-N270 CarbonylContact C-O 3.4Å; E196-N270 HydrophobicContact CB-CB 3.98Å; E196-N270 WeakPolarHBondContact CB-O 3.17Å; E196-N270 PolarHBondContact N-O 3.01Å; E196-N270 PolarHBondContact O-N 3.47Å
271V87.8Confident81.9Confident56 Ų5679.1 Ų79.134%0.33939%0.393SS..EExtended strand (participates in β ladder)trans-95.9114.4177.5-177.70000107.9M255 F269 E274M255-V271 HydrophobicContact CE-CB 4.05Å; M255-V271 HydrophobicContact CE-CG1 3.46Å; M255-V271 VanDerWaalsContact CE-CG1 3.46Å; M255-V271 HydrophobicContact CE-CG2 3.36Å; F269-V271 HydrophobicContact CD1-CG2 4.23Å; F269-V271 HydrophobicContact CE1-CG2 3.46Å; F269-V271 VanDerWaalsContact CE1-CG2 3.46Å; F269-V271 HydrophobicContact CZ-CG2 4.14Å; V271-E274 HydrophobicContact CG1-CG 4.27Å
272Q84Confident81.3Confident87 Ų8777.6 Ų77.641%0.40739%0.389SS..EExtended strand (participates in β ladder)trans-83.2-43.4176.2-73.6-103.513.100110.5D194 E196 R234D194-Q272 HydrophobicContact CB-CB 4.04Å; D194-Q272 PolarHBondContact O-N 3.26Å; E196-Q272 PolarHBondContact OE2-NE2 2.87Å; R234-Q272 VanDerWaalsContact NH2-NE2 3.12Å
273M83.1Confident80.6Confident51 Ų5181.4 Ų81.425%0.25141%0.406SS..EExtended strand (participates in β ladder)trans-136.2120176.8-160.2168.677.900109.7R192 D194 K276R192-M273 HydrophobicContact CG-CE 4.23Å; D194-M273 HydrophobicContact CB-CB 3.8Å; D194-M273 PolarHBondContact N-O 3.35Å; D194-M273 PolarHBondContact O-N 3.45Å; D194-M273 WeakPolarHBondContact OD2-CB 3.39Å; D194-M273 WeakPolarHBondContact OD2-CE 3.31Å; M273-K276 HydrophobicContact CE-CB 4.49Å
274E85.1Confident80.2Confident157 Ų15779.5 Ų79.573%0.73440%0.402SS*.EExtended strand (participates in β ladder)trans-59.1153.9171.4-66-173.7106.300110.7V271 K276V271-E274 HydrophobicContact CG1-CG 4.27Å; E274-K276 PolarHBondContact O-N 3.08Å
275P85.1Confident79.8Confident25 Ų2579.4 Ų79.416%0.16240%0.402CS..EExtended strand (participates in β ladder)trans-57.1117.7-177.723.7-34000110.6I191 R192 A193 L248 L251I191-P275 HydrophobicContact CG2-CB 4.04Å; R192-P275 CarbonylContact O-C 3.49Å; R192-P275 VanDerWaalsContact O-CA 3.29Å; R192-P275 WeakPolarHBondContact O-CA 3.47Å; A193-P275 HydrophobicContact CB-CB 4.2Å; L248-P275 HydrophobicContact CD2-CB 3.8Å; L248-P275 HydrophobicContact CD2-CG 4.17Å; L248-P275 WeakPolarHBondContact CD2-O 3.19Å; L251-P275 HydrophobicContact CB-CB 3.99Å; L251-P275 HydrophobicContact CD1-CB 4.11Å
276K83.9Confident79.3Confident103 Ų10377.4 Ų77.445%0.44839%0.394SS..EExtended strand (participates in β ladder)trans-127.4141-176.9-169.5-174.1171.6-154.30109.9I191 R192 M273 E274 V278 D282I191-K276 WeakPolarHBondContact CA-O 3.32Å; I191-K276 WeakPolarHBondContact CG2-O 3.38Å; R192-K276 PolarHBondContact N-O 3.47Å; R192-K276 PolarHBondContact O-N 2.72Å; M273-K276 HydrophobicContact CE-CB 4.49Å; E274-K276 PolarHBondContact O-N 3.08Å; K276-V278 PolarHBondContact O-N 3.45Å; K276-D282 IonicContact NZ-OD2 2.9Å
277V81.5Confident79.1Confident45 Ų4569.4 Ų69.427%0.27338%0.377SS..EExtended strand (participates in β ladder)trans-65.3121.6170.7169.40000109.1V189 I191 R244V189-V277 HydrophobicContact CG1-CB 4.05Å; V189-V277 HydrophobicContact CG1-CG1 3.18Å; V189-V277 HydrophobicContact CG1-CG2 3.87Å; I191-V277 HydrophobicContact CG1-CG2 4.16Å; R244-V277 HydrophobicContact CG-CG2 4.29Å
278V78Confident79.1Confident20 Ų2077.4 Ų77.412%0.12140%0.404CS..PPolyproline II helixtrans-83.3128.1-179.8-172.80000108.6K190 R192 K276 D282 E283K190-V278 HydrophobicContact CB-CB 4.28Å; K190-V278 WeakPolarHBondContact O-CB 3.33Å; K190-V278 PolarHBondContact O-N 3.27Å; R192-V278 HydrophobicContact CB-CG2 3.26Å; R192-V278 HydrophobicContact CG-CG2 4.46Å; K276-V278 PolarHBondContact O-N 3.45Å; V278-D282 HydrophobicContact CG1-CB 3.66Å; V278-E283 HydrophobicContact CG1-CG 3.68Å
279T76.1Confident78.6Confident72 Ų7277.9 Ų77.944%0.44240%0.401SS..PPolyproline II helixtrans-92163.916657.20000109.7T281 D282 E283T279-T281 PolarHBondContact O-N 3.28Å; T279-D282 PolarHBondContact O-N 3.24Å; T279-E283 PolarHBondContact O-N 3.1Å
280D70.7Confident77.9Confident134 Ų13478.9 Ų78.972%0.71741%0.407SS*.Hα-helixtrans-52.6-30.2176.7-148.7-95000112.7T284D280-T284 PolarHBondContact O-N 2.98Å; D280-T284 PolarHBondContact O-OG1 3.43Å
281T72.9Confident77.4Confident94 Ų9481 Ų8158%0.57741%0.414SS*.Hα-helixtrans-70.3-43.1176.8-27.70000112.6T279 E283 T284 E285T279-T281 PolarHBondContact O-N 3.28Å; T281-E283 VanDerWaalsContact C-N 3.3Å; T281-E283 PolarHBondContact O-N 3.19Å; T281-T284 WeakPolarHBondContact CA-OG1 3.47Å; T281-T284 PolarHBondContact O-N 2.96Å; T281-T284 PolarHBondContact O-OG1 2.89Å; T281-T284 VanDerWaalsContact O-OG1 3.1Å; T281-E285 PolarHBondContact O-N 3.37Å; T281-E285 VanDerWaalsContact O-N 3.15Å
282D71.3Confident76.9Confident35 Ų3586.6 Ų86.619%0.18743%0.429CS..Hα-helixtrans-65.4-33.3175.9-96.8-99.3000111.2K276 V278 T279 L286K276-D282 IonicContact NZ-OD2 2.9Å; V278-D282 HydrophobicContact CG1-CB 3.66Å; T279-D282 PolarHBondContact O-N 3.24Å; D282-L286 WeakPolarHBondContact O-CB 3.39Å; D282-L286 PolarHBondContact O-N 2.58Å
283E69.9Low76.1Confident80 Ų8084.4 Ų84.437%0.37442%0.42SS..Hα-helixtrans-63.9-40.5174-82.5-166.981.700112K190 V278 T279 T281 L286 A287K190-E283 WeakPolarHBondContact CD-OE2 3.22Å; K190-E283 IonicContact NZ-OE1 3.31Å; K190-E283 PolarHBondContact NZ-OE1 3.34Å; K190-E283 IonicContact NZ-OE2 2.75Å; K190-E283 PolarHBondContact NZ-OE2 3.11Å; V278-E283 HydrophobicContact CG1-CG 3.68Å; T279-E283 PolarHBondContact O-N 3.1Å; T281-E283 VanDerWaalsContact C-N 3.3Å; T281-E283 PolarHBondContact O-N 3.19Å; E283-L286 PolarHBondContact O-N 3.44Å; E283-A287 WeakPolarHBondContact O-CB 3.15Å; E283-A287 PolarHBondContact O-N 2.97Å
284T75.6Confident75.4Confident72 Ų7287.9 Ų87.944%0.44244%0.435SS..Hα-helixtrans-70.1-37.4-1809.10000112.3D280 T281 R288D280-T284 PolarHBondContact O-N 2.98Å; D280-T284 PolarHBondContact O-OG1 3.43Å; T281-T284 WeakPolarHBondContact CA-OG1 3.47Å; T281-T284 PolarHBondContact O-N 2.96Å; T281-T284 PolarHBondContact O-OG1 2.89Å; T281-T284 VanDerWaalsContact O-OG1 3.1Å; T284-R288 PolarHBondContact O-N 2.97Å
285E75.8Confident74.6Confident125 Ų12588.5 Ų88.558%0.58443%0.431SS*.Hα-helixtrans-66.9-40.1174.4-65.9-153.2110.100111.7T281 R288 Q289T281-E285 PolarHBondContact O-N 3.37Å; T281-E285 VanDerWaalsContact O-N 3.15Å; E285-R288 PolarHBondContact O-N 3.29Å; E285-Q289 WeakPolarHBondContact O-CB 3.2Å; E285-Q289 PolarHBondContact O-N 2.93Å
286L68.5Low73.8Confident31 Ų3192.6 Ų92.616%0.16245%0.448CS..Hα-helixtrans-64.1-43.6176.4-175.260.7000112.2I230 D282 E283 R288 Q289 M290I230-L286 HydrophobicContact CD1-CD1 4.15Å; D282-L286 WeakPolarHBondContact O-CB 3.39Å; D282-L286 PolarHBondContact O-N 2.58Å; E283-L286 PolarHBondContact O-N 3.44Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.21Å; L286-Q289 PolarHBondContact O-N 3.45Å; L286-Q289 VanDerWaalsContact O-N 3.09Å; L286-M290 HydrophobicContact CD1-CG 4.45Å; L286-M290 HydrophobicContact CG-CG 4.43Å; L286-M290 WeakPolarHBondContact O-CB 3.46Å; L286-M290 PolarHBondContact O-N 2.87Å
287A75.4Confident72.8Confident60 Ų6092.9 Ų92.950%0.49646%0.455SS..Hα-helixtrans-58.9-42.4177.900000111.2E283 Q289 M290 E291E283-A287 WeakPolarHBondContact O-CB 3.15Å; E283-A287 PolarHBondContact O-N 2.97Å; A287-Q289 VanDerWaalsContact C-N 3.35Å; A287-Q289 PolarHBondContact O-N 2.67Å; A287-M290 PolarHBondContact O-N 3.49Å; A287-E291 WeakPolarHBondContact O-CB 3.45Å; A287-E291 PolarHBondContact O-N 3.35Å
288R80Confident72Confident178 Ų17894.5 Ų94.567%0.67247%0.473SS*.Hα-helixtrans-65.4-37.8173.9-71.9-174.9-161.6158.97112.8T284 E285 L286 R292T284-R288 PolarHBondContact O-N 2.97Å; E285-R288 PolarHBondContact O-N 3.29Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.21Å; R288-R292 WeakPolarHBondContact O-CB 3.48Å; R288-R292 PolarHBondContact O-N 3.19Å
289Q72.8Confident71Confident89 Ų89100.3 Ų100.342%0.41650%0.498SS..Hα-helixtrans-69.5-40.2179.4-165.7172.527.900111.5E285 L286 A287 L293E285-Q289 WeakPolarHBondContact O-CB 3.2Å; E285-Q289 PolarHBondContact O-N 2.93Å; L286-Q289 PolarHBondContact O-N 3.45Å; L286-Q289 VanDerWaalsContact O-N 3.09Å; A287-Q289 VanDerWaalsContact C-N 3.35Å; A287-Q289 PolarHBondContact O-N 2.67Å; Q289-L293 HydrophobicContact CG-CD1 3.98Å; Q289-L293 WeakPolarHBondContact O-CB 3.48Å; Q289-L293 WeakPolarHBondContact O-CD1 3.29Å; Q289-L293 VanDerWaalsContact O-CG 3.24Å; Q289-L293 WeakPolarHBondContact O-CG 3.45Å; Q289-L293 PolarHBondContact O-N 3.49Å
290M70.3Confident70Confident50 Ų50102.8 Ų102.825%0.24651%0.513CS..Hα-helixtrans-60.3-52171.5-79.5-74.2-72.400110.7I230 L286 A287 R292 L293 E294I230-M290 HydrophobicContact CB-SD 4.02Å; I230-M290 HydrophobicContact CD1-SD 4.33Å; I230-M290 HydrophobicContact CG1-SD 3.7Å; I230-M290 HydrophobicContact CG2-SD 3.76Å; L286-M290 HydrophobicContact CD1-CG 4.45Å; L286-M290 HydrophobicContact CG-CG 4.43Å; L286-M290 WeakPolarHBondContact O-CB 3.46Å; L286-M290 PolarHBondContact O-N 2.87Å; A287-M290 PolarHBondContact O-N 3.49Å; M290-R292 VanDerWaalsContact C-N 3.3Å; M290-R292 PolarHBondContact O-N 2.96Å; M290-L293 PolarHBondContact O-N 3.34Å; M290-L293 VanDerWaalsContact O-N 3.13Å; M290-E294 WeakPolarHBondContact O-CB 3.31Å; M290-E294 WeakPolarHBondContact O-CG 3.5Å; M290-E294 PolarHBondContact O-N 3.11Å
291E77.7Confident68.9Low138 Ų138102.9 Ų102.965%0.64551%0.513SS*.Hα-helixtrans-62-38.9-178.9-167.817997.800111.9A287 R295A287-E291 WeakPolarHBondContact O-CB 3.45Å; A287-E291 PolarHBondContact O-N 3.35Å; E291-R295 VanDerWaalsContact O-CB 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.24Å; E291-R295 PolarHBondContact O-N 3.19Å
292R76.4Confident67.9Low172 Ų172101.8 Ų101.865%0.64952%0.521SS*.Hα-helixtrans-64.5-44.4174.7179.4175.9172.8174.44112R288 M290 R295 E296R288-R292 WeakPolarHBondContact O-CB 3.48Å; R288-R292 PolarHBondContact O-N 3.19Å; M290-R292 VanDerWaalsContact C-N 3.3Å; M290-R292 PolarHBondContact O-N 2.96Å; R292-R295 PolarHBondContact O-N 3.44Å; R292-E296 WeakPolarHBondContact CG-OE2 3.39Å; R292-E296 IonicContact CZ-OE2 2.74Å; R292-E296 IonicContact NE-OE2 3.67Å; R292-E296 PolarHBondContact NE-OE2 3.22Å; R292-E296 IonicContact NH2-OE2 2.71Å; R292-E296 WeakPolarHBondContact O-CB 3.1Å; R292-E296 WeakPolarHBondContact O-CG 3.22Å; R292-E296 PolarHBondContact O-N 2.92Å
293L67.4Low67Low42 Ų42106.4 Ų106.422%0.2255%0.546CS..Hα-helixtrans-72.5-32.7179.7-73.3165.9000112.4I230 Q289 M290 R295 N297I230-L293 HydrophobicContact CG2-CD1 3.41Å; I230-L293 VanDerWaalsContact CG2-CD1 3.41Å; Q289-L293 HydrophobicContact CG-CD1 3.98Å; Q289-L293 WeakPolarHBondContact O-CB 3.48Å; Q289-L293 WeakPolarHBondContact O-CD1 3.29Å; Q289-L293 VanDerWaalsContact O-CG 3.24Å; Q289-L293 WeakPolarHBondContact O-CG 3.45Å; Q289-L293 PolarHBondContact O-N 3.49Å; M290-L293 PolarHBondContact O-N 3.34Å; M290-L293 VanDerWaalsContact O-N 3.13Å; L293-R295 VanDerWaalsContact C-N 3.34Å; L293-N297 WeakPolarHBondContact O-CB 3.32Å; L293-N297 PolarHBondContact O-N 3.21Å; L293-N297 PolarHBondContact O-ND2 3.18Å
294E69.5Low66Low124 Ų124109 Ų10958%0.57956%0.562SS**Hα-helixtrans-63.7-42.8169.9-79.1-177.787.900110.3M290 N297 A298M290-E294 WeakPolarHBondContact O-CB 3.31Å; M290-E294 WeakPolarHBondContact O-CG 3.5Å; M290-E294 PolarHBondContact O-N 3.11Å; E294-N297 PolarHBondContact O-N 2.92Å; E294-A298 WeakPolarHBondContact O-CB 3.41Å; E294-A298 PolarHBondContact O-N 3.31Å
295R68.9Low64.7Low170 Ų170112.7 Ų112.764%0.64258%0.579SS**Hα-helixtrans-66.2-44.2177-165.6172.1-173.5158.74.3112.7E291 R292 L293 N297 A298 E299E291-R295 VanDerWaalsContact O-CB 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.24Å; E291-R295 PolarHBondContact O-N 3.19Å; R292-R295 PolarHBondContact O-N 3.44Å; L293-R295 VanDerWaalsContact C-N 3.34Å; R295-N297 VanDerWaalsContact C-N 3.25Å; R295-N297 PolarHBondContact O-N 3.22Å; R295-A298 PolarHBondContact O-N 3.39Å; R295-E299 WeakPolarHBondContact CG-OE2 3.47Å; R295-E299 IonicContact NE-OE2 3.66Å
296E66.8Low63.3Low110 Ų110109.8 Ų109.851%0.51458%0.577SS.*Hα-helixtrans-65-27.2175.1-74.9-178.968.300112.5R292R292-E296 WeakPolarHBondContact CG-OE2 3.39Å; R292-E296 IonicContact CZ-OE2 2.74Å; R292-E296 IonicContact NE-OE2 3.67Å; R292-E296 PolarHBondContact NE-OE2 3.22Å; R292-E296 IonicContact NH2-OE2 2.71Å; R292-E296 WeakPolarHBondContact O-CB 3.1Å; R292-E296 WeakPolarHBondContact O-CG 3.22Å; R292-E296 PolarHBondContact O-N 2.92Å
297N64.2Low62.2Low110 Ų110116.5 Ų116.559%0.58861%0.608SS**Hα-helixtrans-86.9-21.9173.7-80.2-57.2000114L293 E294 R295L293-N297 WeakPolarHBondContact O-CB 3.32Å; L293-N297 PolarHBondContact O-N 3.21Å; L293-N297 PolarHBondContact O-ND2 3.18Å; E294-N297 PolarHBondContact O-N 2.92Å; R295-N297 VanDerWaalsContact C-N 3.25Å; R295-N297 PolarHBondContact O-N 3.22Å
298A63.9Low60.8Low79 Ų79121 Ų12165%0.65362%0.618SS**Hα-helixtrans-80.7-16-177.600000113.6E294 R295E294-A298 WeakPolarHBondContact O-CB 3.41Å; E294-A298 PolarHBondContact O-N 3.31Å; R295-A298 PolarHBondContact O-N 3.39Å
299E56.6Low58.9Low141 Ų141119.9 Ų119.966%0.65962%0.622SS**SBendtrans-101.928.1-170.4-69.8-174.279.400114.8R295R295-E299 WeakPolarHBondContact CG-OE2 3.47Å; R295-E299 IonicContact NE-OE2 3.66Å
300V54.4Low57.6Low124 Ų124123 Ų12375%0.75264%0.637SS**  trans-121.365.7171.1-158.90000110.8G302V300-G302 PolarHBondContact O-N 3.33Å
301D48.2Very low56.6Low136 Ų136124.6 Ų124.673%0.72766%0.658SS**  trans-84.499.4156-148.5-79.2000106.7D303D301-D303 VanDerWaalsContact C-N 3.27Å; D301-D303 PolarHBondContact O-N 3.07Å
302G52.2Low55.3Low72 Ų72126.8 Ų126.874%0.74267%0.665SS**THydrogen-bonded Turntrans-86.825.7-16800000114.9V300V300-G302 PolarHBondContact O-N 3.33Å
303D52.7Low54.1Low131 Ų131122.7 Ų122.770%0.70167%0.668SS**THydrogen-bonded Turntrans-132.911.9-171.6-129.73.3000116D301D301-D303 VanDerWaalsContact C-N 3.27Å; D301-D303 PolarHBondContact O-N 3.07Å
304D48.4Very low52.9Low135 Ų135129.4 Ų129.472%0.72270%0.699SS**SBendtrans-102.5-7.3175.6-104.9-51.8000114.6
305D47.9Very low51.7Low149 Ų149134.6 Ų134.680%0.79773%0.73SS**SBendtrans-100.67.3-176.3-101.4-75.7000114.6
306A47.9Very low50.9Low65 Ų65132.9 Ų132.954%0.53774%0.735SS.*SBendtrans-104.7-25.9178.900000114.7
307E44.4Very low50Low172 Ų172134.1 Ų134.180%0.80475%0.746SS**SBendtrans-88.9-15.9-179.2-77.2-168.810700114.1
308E45.2Very low49.2Very low155 Ų155135.4 Ų135.472%0.72476%0.755SS**THydrogen-bonded Turntrans-88.2-9.8-178.9-126-177.990.500114.6
309M41.5Very low48.4Very low153 Ų153138.7 Ų138.775%0.75476%0.761SS**THydrogen-bonded Turntrans-91.3-20.7178.2-103-169.7-142.100114.9
310E44.5Very low47.8Very low156 Ų156138.6 Ų138.673%0.72977%0.768SS**G310 helixtrans-84.2-20.2178.1-74.6-174.1130.700113.1K312E310-K312 VanDerWaalsContact C-N 3.29Å; E310-K312 PolarHBondContact O-N 3.11Å
311A49.3Very low47.4Very low82 Ų82139.5 Ų139.568%0.67877%0.769SS**G310 helixtrans-79.3-1.9179.600000115.2
312K51.8Low47.3Very low185 Ų185139.8 Ų139.880%0.80477%0.772SS**G310 helixtrans-113.64.2178.7-82.2178.9178.81590114.5E310E310-K312 VanDerWaalsContact C-N 3.29Å; E310-K312 PolarHBondContact O-N 3.11Å
313A50.2Low47Very low86 Ų86145 Ų14571%0.71177%0.774SS**SBendtrans-105.2-4.7177.700000114
314E41.8Very low46.5Very low183 Ų183146.2 Ų146.286%0.85578%0.78SS**  trans-126.768.6174.3-74.2-176.290.100111.1
315D44.9Very low46.3Very low233 Ų233147.2 Ų147.2100%1.24679%0.785SS**  trans-148.20152.2-159.5-105.8000110.1

Retrieved 315 of 315 residues in 949.8 ms (Link to these results)

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