A0A060Y8F8_ONCMY Loading...

Diamine acetyltransferase 1

AlphaFold DB , UniProt , Accession A0A060Y8F8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110489635, Length 173 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
1M43.2Very low86.7Confident233 Ų233102.5 Ų102.5100%1.14849%0.485SS*.  0105.80-84.5176.1171.200105.8R3M1-R3 PolarHBondContact O-N 2.72Å
2D56.9Low87.4Confident147 Ų147105.2 Ų105.279%0.78649%0.493SS*.  trans-65.9116.8-175.4-63.2-34.3000108.8F4D2-F4 PolarHBondContact O-N 2.87Å
3R82.9Confident88.2Confident187 Ų18797.5 Ų97.571%0.70646%0.457SS*.SBendtrans-66.3-18.4-177-75.6-178.4172.5174.4-3.8112.6M1 V59M1-R3 PolarHBondContact O-N 2.72Å; R3-V59 WeakPolarHBondContact O-CG1 3.46Å
4F92.3Very high88.8Confident38 Ų3890.9 Ų90.917%0.16743%0.427CS..  trans-160.6163.6176.659.8-89000109D2 L6 E58 V59 I105 E108D2-F4 PolarHBondContact O-N 2.87Å; F4-L6 HydrophobicContact CD2-CD2 4.07Å; F4-L6 HydrophobicContact CD2-CG 4.25Å; F4-L6 HydrophobicContact CE2-CD2 4.25Å; F4-L6 HydrophobicContact CE2-CG 4.16Å; F4-E58 CarbonylContact C-O 3.57Å; F4-E58 WeakPolarHBondContact CA-O 3.35Å; F4-V59 HydrophobicContact CB-CG1 3.87Å; F4-I105 HydrophobicContact CB-CG1 4.46Å; F4-I105 HydrophobicContact CD1-CD1 4.31Å; F4-I105 HydrophobicContact CD1-CG1 3.59Å; F4-I105 HydrophobicContact CD2-CG1 4.06Å; F4-I105 HydrophobicContact CE1-CG1 3.71Å; F4-I105 HydrophobicContact CE2-CB 4.49Å; F4-I105 HydrophobicContact CE2-CG1 4.17Å; F4-I105 HydrophobicContact CG-CD1 4.37Å; F4-I105 HydrophobicContact CG-CG1 3.78Å; F4-I105 HydrophobicContact CZ-CB 4.47Å; F4-I105 HydrophobicContact CZ-CG1 4.01Å; F4-E108 HydrophobicContact CE2-CB 4.1Å; F4-E108 HydrophobicContact CE2-CG 4.26Å; F4-E108 HydrophobicContact CZ-CB 4.3Å; F4-E108 HydrophobicContact CZ-CG 4.04Å
5K94.8Very high89.3Confident114 Ų11488.9 Ų88.950%0.49643%0.425SS..EExtended strand (participates in β ladder)trans-128136.3174.5175.2177160.5-138.20110A57 E58K5-A57 WeakPolarHBondContact O-CA 3.13Å; K5-E58 HydrophobicContact CB-CG 3.94Å; K5-E58 WeakPolarHBondContact CD-OE1 3.49Å; K5-E58 WeakPolarHBondContact CE-OE1 3.3Å; K5-E58 HydrophobicContact CG-CG 4.45Å; K5-E58 PolarHBondContact N-O 3.3Å; K5-E58 IonicContact NZ-OE1 3.57Å; K5-E58 PolarHBondContact NZ-OE1 3.38Å; K5-E58 PolarHBondContact O-N 2.67Å
6L96.7Very high89.8Confident42 Ų4286.4 Ų86.422%0.2242%0.415CS..EExtended strand (participates in β ladder)trans-100.6137.6172.5-58-173.9000110F4 V56 A57 I105 E108 I109 L112F4-L6 HydrophobicContact CD2-CD2 4.07Å; F4-L6 HydrophobicContact CD2-CG 4.25Å; F4-L6 HydrophobicContact CE2-CD2 4.25Å; F4-L6 HydrophobicContact CE2-CG 4.16Å; L6-V56 WeakPolarHBondContact CA-O 3.18Å; L6-A57 HydrophobicContact CD2-CB 3.46Å; L6-A57 VanDerWaalsContact CD2-CB 3.46Å; L6-I105 HydrophobicContact CD2-CG2 4.42Å; L6-E108 HydrophobicContact CD1-CB 3.55Å; L6-E108 WeakPolarHBondContact CD1-O 3.35Å; L6-I109 HydrophobicContact CD1-CG1 3.88Å; L6-I109 HydrophobicContact CD2-CD1 4.34Å; L6-I109 HydrophobicContact CD2-CG1 3.77Å; L6-I109 HydrophobicContact CG-CG1 4.5Å; L6-L112 HydrophobicContact CB-CD2 4.42Å
7R96.7Very high90.2Very high37 Ų3781.3 Ų81.314%0.1439%0.39CS..EExtended strand (participates in β ladder)trans-152.3165.6173.658.5173.2177.877.83.7111D13 I55 V56 E58R7-D13 IonicContact CZ-OD1 2.67Å; R7-D13 IonicContact CZ-OD2 3.42Å; R7-D13 IonicContact NH1-OD1 2.67Å; R7-D13 PolarHBondContact NH1-OD1 3.36Å; R7-D13 IonicContact NH1-OD2 3.3Å; R7-D13 PolarHBondContact NH1-OD2 3.43Å; R7-D13 IonicContact NH2-OD1 3.43Å; R7-D13 PolarHBondContact NH2-OD1 3.42Å; R7-D13 IonicContact NH2-OD2 2.85Å; R7-I55 WeakPolarHBondContact O-CA 3.46Å; R7-V56 HydrophobicContact CG-CG2 3.84Å; R7-V56 PolarHBondContact N-O 2.78Å; R7-V56 PolarHBondContact O-N 3.39Å; R7-E58 IonicContact CZ-OE2 2.97Å; R7-E58 VanDerWaalsContact CZ-OE2 3.28Å; R7-E58 IonicContact NE-OE1 2.77Å; R7-E58 PolarHBondContact NE-OE1 3.34Å; R7-E58 IonicContact NE-OE2 3.36Å; R7-E58 PolarHBondContact NE-OE2 3.41Å; R7-E58 IonicContact NH2-OE2 3.61Å; R7-E58 PolarHBondContact NH2-OE2 2.72Å
8K97.6Very high90.6Very high155 Ų15577.4 Ų77.467%0.67437%0.372SS*.EExtended strand (participates in β ladder)trans-61.3143.4165.1-66.8-174.6175-169.70109.4I55K8-I55 HydrophobicContact CG-CD1 3.98Å
9A97.6Very high90.9Very high14 Ų1477.3 Ų77.312%0.11637%0.367CS..  trans-63.5150.7168.700000110.6D13 I17 F46 C54 V56A9-D13 WeakPolarHBondContact CA-OD2 3.4Å; A9-I17 HydrophobicContact CB-CD1 3.79Å; A9-F46 HydrophobicContact CB-CE1 4.27Å; A9-F46 HydrophobicContact CB-CZ 3.98Å; A9-C54 HydrophobicContact CB-CB 3.72Å; A9-C54 WeakPolarHBondContact CB-O 3.37Å; A9-C54 PolarHBondContact N-O 2.72Å; A9-V56 HydrophobicContact CB-CG1 4.1Å
10E97.1Very high91.2Very high89 Ų8973.4 Ų73.442%0.41635%0.349SS..  trans-120.6161.7171.3-68.7176.4-172.800108.5K12 D13E10-K12 HydrophobicContact CB-CG 4.18Å; E10-K12 PolarHBondContact O-N 3.17Å; E10-K12 WeakPolarHBondContact OE2-CE 3.42Å; E10-K12 IonicContact OE2-NZ 2.87Å; E10-K12 PolarHBondContact OE2-NZ 2.8Å; E10-D13 PolarHBondContact N-OD2 2.89Å; E10-D13 WeakPolarHBondContact O-CB 3.44Å; E10-D13 PolarHBondContact O-N 3.07Å
11P97.4Very high91.4Very high72 Ų7270.6 Ų70.647%0.46834%0.336SS..G310 helixtrans-49.9-32.2178.2-33.638.7000114.9D13 V14 L42 F46P11-D13 PolarHBondContact O-N 3.26Å; P11-V14 WeakPolarHBondContact O-CB 3.32Å; P11-V14 VanDerWaalsContact O-CG2 3.32Å; P11-V14 WeakPolarHBondContact O-CG2 3.38Å; P11-V14 PolarHBondContact O-N 2.76Å; P11-L42 HydrophobicContact CB-CD1 3.69Å; P11-L42 HydrophobicContact CG-CD1 4.37Å; P11-F46 HydrophobicContact CG-CB 4.14Å; P11-F46 HydrophobicContact CG-CD1 3.88Å; P11-F46 HydrophobicContact CG-CE1 4.47Å; P11-F46 HydrophobicContact CG-CG 3.98Å
12K95.9Very high93.8Very high134 Ų13463.9 Ų63.958%0.58330%0.3SS*.G310 helixtrans-67.3-18.6178.375.1-169.4-173.1-154.60114.1E10 P15E10-K12 HydrophobicContact CB-CG 4.18Å; E10-K12 PolarHBondContact O-N 3.17Å; E10-K12 WeakPolarHBondContact OE2-CE 3.42Å; E10-K12 IonicContact OE2-NZ 2.87Å; E10-K12 PolarHBondContact OE2-NZ 2.8Å; K12-P15 WeakPolarHBondContact O-CD 3.44Å
13D96.9Very high95.5Very high5 Ų559.8 Ų59.83%0.02728%0.276CS..G310 helixtrans-88-5.5-179.2-53.1-54.9000112.2R7 A9 E10 P11 P15 D16 I17 V56R7-D13 IonicContact CZ-OD1 2.67Å; R7-D13 IonicContact CZ-OD2 3.42Å; R7-D13 IonicContact NH1-OD1 2.67Å; R7-D13 PolarHBondContact NH1-OD1 3.36Å; R7-D13 IonicContact NH1-OD2 3.3Å; R7-D13 PolarHBondContact NH1-OD2 3.43Å; R7-D13 IonicContact NH2-OD1 3.43Å; R7-D13 PolarHBondContact NH2-OD1 3.42Å; R7-D13 IonicContact NH2-OD2 2.85Å; A9-D13 WeakPolarHBondContact CA-OD2 3.4Å; E10-D13 PolarHBondContact N-OD2 2.89Å; E10-D13 WeakPolarHBondContact O-CB 3.44Å; E10-D13 PolarHBondContact O-N 3.07Å; P11-D13 PolarHBondContact O-N 3.26Å; D13-P15 VanDerWaalsContact C-CD 3.49Å; D13-D16 WeakPolarHBondContact O-CB 3.22Å; D13-D16 PolarHBondContact O-N 2.88Å; D13-I17 HydrophobicContact CB-CD1 4.16Å; D13-I17 HydrophobicContact CB-CG1 4.48Å; D13-I17 WeakPolarHBondContact O-CG1 3.32Å; D13-I17 PolarHBondContact O-N 2.67Å; D13-V56 HydrophobicContact CB-CG1 4.49Å
14V97.2Very high95.9Very high6 Ų651.5 Ų51.54%0.03625%0.246CC..Hα-helixtrans-52.2-44.8-179.31650000113.1P11 D16 I17 L18 E38 L41 L42 F46P11-V14 WeakPolarHBondContact O-CB 3.32Å; P11-V14 VanDerWaalsContact O-CG2 3.32Å; P11-V14 WeakPolarHBondContact O-CG2 3.38Å; P11-V14 PolarHBondContact O-N 2.76Å; V14-D16 VanDerWaalsContact C-N 3.31Å; V14-D16 PolarHBondContact O-N 2.94Å; V14-I17 PolarHBondContact O-N 2.84Å; V14-L18 PolarHBondContact O-N 2.92Å; V14-E38 HydrophobicContact CG1-CB 3.67Å; V14-E38 HydrophobicContact CG1-CG 4.05Å; V14-E38 VanDerWaalsContact CG1-O 3.3Å; V14-E38 WeakPolarHBondContact CG1-O 3.42Å; V14-L41 HydrophobicContact CG1-CB 3.9Å; V14-L41 HydrophobicContact CG1-CD1 4.28Å; V14-L41 HydrophobicContact CG2-CB 4.41Å; V14-L42 HydrophobicContact CG2-CB 4.41Å; V14-L42 HydrophobicContact CG2-CD1 4.33Å; V14-F46 HydrophobicContact CG2-CD2 4.12Å; V14-F46 HydrophobicContact CG2-CE2 3.53Å; V14-F46 HydrophobicContact CG2-CZ 4.35Å
15P96.4Very high95.9Very high61 Ų6150.1 Ų50.140%0.39624%0.242SC..Hα-helixtrans-61.4-39.2177.1-24.135.2000112.9K12 D13 R19K12-P15 WeakPolarHBondContact O-CD 3.44Å; D13-P15 VanDerWaalsContact C-CD 3.49Å; P15-R19 WeakPolarHBondContact O-CB 3.5Å; P15-R19 PolarHBondContact O-N 3.31Å
16D96.6Very high95.6Very high48 Ų4851.2 Ų51.226%0.25725%0.247SC..Hα-helixtrans-70.4-38.9177.2-80.7-59.3000112.4D13 V14 R19 L20 V71D13-D16 WeakPolarHBondContact O-CB 3.22Å; D13-D16 PolarHBondContact O-N 2.88Å; V14-D16 VanDerWaalsContact C-N 3.31Å; V14-D16 PolarHBondContact O-N 2.94Å; D16-R19 PolarHBondContact O-N 3.5Å; D16-R19 IonicContact OD1-CZ 3.81Å; D16-R19 IonicContact OD1-NE 3.88Å; D16-R19 PolarHBondContact OD1-NE 2.86Å; D16-R19 IonicContact OD1-NH2 3.7Å; D16-R19 PolarHBondContact OD1-NH2 2.99Å; D16-L20 WeakPolarHBondContact O-CG 3.32Å; D16-L20 PolarHBondContact O-N 2.73Å; D16-V71 HydrophobicContact CB-CB 3.8Å; D16-V71 HydrophobicContact CB-CG1 4.2Å; D16-V71 HydrophobicContact CB-CG2 4.12Å
17I97.3Very high95Very high0 Ų054.7 Ų54.70%026%0.257CS..Hα-helixtrans-62.1-48.2175.2-68164.7000109.8A9 D13 V14 R19 L20 I21 L41 C54 V56 M76A9-I17 HydrophobicContact CB-CD1 3.79Å; D13-I17 HydrophobicContact CB-CD1 4.16Å; D13-I17 HydrophobicContact CB-CG1 4.48Å; D13-I17 WeakPolarHBondContact O-CG1 3.32Å; D13-I17 PolarHBondContact O-N 2.67Å; V14-I17 PolarHBondContact O-N 2.84Å; I17-R19 VanDerWaalsContact C-N 3.31Å; I17-R19 PolarHBondContact O-N 2.92Å; I17-L20 PolarHBondContact O-N 3.29Å; I17-I21 HydrophobicContact CG2-CD1 3.81Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CG1 3.49Å; I17-I21 PolarHBondContact O-N 3.15Å; I17-L41 HydrophobicContact CG2-CD1 4.3Å; I17-L41 HydrophobicContact CG2-CD2 4.31Å; I17-C54 HydrophobicContact CD1-CB 4.15Å; I17-V56 HydrophobicContact CD1-CG1 4.38Å; I17-V56 HydrophobicContact CG1-CG1 4.16Å; I17-M76 HydrophobicContact CG2-CE 4.43Å
18L96.9Very high94.4Very high12 Ų1256.6 Ų56.66%0.06327%0.268CS..Hα-helixtrans-62.5-40178.3-175.659.7000112V14 I21 K22 V34 L36 E38 L41V14-L18 PolarHBondContact O-N 2.92Å; L18-I21 PolarHBondContact O-N 2.95Å; L18-K22 WeakPolarHBondContact O-CG 3.28Å; L18-K22 PolarHBondContact O-N 2.77Å; L18-V34 HydrophobicContact CD1-CG1 4.46Å; L18-L36 WeakPolarHBondContact CD1-O 3.38Å; L18-E38 HydrophobicContact CB-CG 4.39Å; L18-E38 HydrophobicContact CD2-CG 3.53Å; L18-L41 HydrophobicContact CB-CD1 3.72Å; L18-L41 HydrophobicContact CD1-CD1 4.08Å; L18-L41 HydrophobicContact CG-CD1 4.4Å
19R96.1Very high93.8Very high74 Ų7456.9 Ų56.928%0.27928%0.277SS..Hα-helixtrans-58.5-48.5174.2177.5-177.757.576.9-0.7111.1P15 D16 I17 K22 E23 V71P15-R19 WeakPolarHBondContact O-CB 3.5Å; P15-R19 PolarHBondContact O-N 3.31Å; D16-R19 PolarHBondContact O-N 3.5Å; D16-R19 IonicContact OD1-CZ 3.81Å; D16-R19 IonicContact OD1-NE 3.88Å; D16-R19 PolarHBondContact OD1-NE 2.86Å; D16-R19 IonicContact OD1-NH2 3.7Å; D16-R19 PolarHBondContact OD1-NH2 2.99Å; I17-R19 VanDerWaalsContact C-N 3.31Å; I17-R19 PolarHBondContact O-N 2.92Å; R19-K22 PolarHBondContact O-N 3.23Å; R19-E23 WeakPolarHBondContact CG-OE1 3.49Å; R19-E23 IonicContact CZ-OE1 2.94Å; R19-E23 IonicContact NH1-OE1 2.82Å; R19-E23 PolarHBondContact NH1-OE1 3.12Å; R19-E23 IonicContact NH1-OE2 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.46Å; R19-E23 PolarHBondContact O-N 3.32Å; R19-V71 PolarHBondContact NH2-O 3.41Å
20L96.4Very high93.2Very high0 Ų059.9 Ų59.90%029%0.289CS..Hα-helixtrans-68.7-33.5-179.6-68.6174.6000113D16 I17 K22 E23 L24 V71 F74 F95 M97D16-L20 WeakPolarHBondContact O-CG 3.32Å; D16-L20 PolarHBondContact O-N 2.73Å; I17-L20 PolarHBondContact O-N 3.29Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-E23 PolarHBondContact O-N 3.39Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 PolarHBondContact O-N 2.97Å; L20-V71 HydrophobicContact CD1-CG1 3.83Å; L20-F74 HydrophobicContact CB-CD1 3.56Å; L20-F74 HydrophobicContact CB-CE1 3.72Å; L20-F74 HydrophobicContact CD1-CB 4.25Å; L20-F74 HydrophobicContact CD1-CD1 3.97Å; L20-F74 HydrophobicContact CG-CD1 4.41Å; L20-F95 HydrophobicContact CB-CD1 4.39Å; L20-F95 HydrophobicContact CD2-CD1 4.06Å; L20-F95 HydrophobicContact CD2-CE1 4.06Å; L20-M97 HydrophobicContact CD2-CG 3.66Å; L20-M97 HydrophobicContact CD2-SD 4.09Å
21I95.9Very high92.5Very high15 Ų1560.5 Ų60.58%0.07729%0.292CS..Hα-helixtrans-60.4-44.5171-71.9167.4000110.1I17 L18 L24 A25 V34 L36 L41 F74 M76I17-I21 HydrophobicContact CG2-CD1 3.81Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CG1 3.49Å; I17-I21 PolarHBondContact O-N 3.15Å; L18-I21 PolarHBondContact O-N 2.95Å; I21-L24 PolarHBondContact O-N 3.35Å; I21-A25 WeakPolarHBondContact O-CB 3.47Å; I21-A25 PolarHBondContact O-N 2.76Å; I21-V34 HydrophobicContact CG2-CG1 4.14Å; I21-L36 HydrophobicContact CD1-CD2 4.06Å; I21-L41 HydrophobicContact CD1-CD1 4.4Å; I21-L41 HydrophobicContact CD1-CD2 4.13Å; I21-F74 HydrophobicContact CG1-CE1 4.34Å; I21-F74 HydrophobicContact CG1-CE2 3.97Å; I21-F74 HydrophobicContact CG1-CZ 3.58Å; I21-M76 HydrophobicContact CD1-CE 3.94Å
22K94.1Very high91.8Very high91 Ų9165 Ų6540%0.39631%0.313SS..Hα-helixtrans-65.7-39.4176.6-70.6175.8178.2-179.30112.4L18 R19 L20 A25 K26 V34L18-K22 WeakPolarHBondContact O-CG 3.28Å; L18-K22 PolarHBondContact O-N 2.77Å; R19-K22 PolarHBondContact O-N 3.23Å; L20-K22 VanDerWaalsContact C-N 3.33Å; K22-A25 PolarHBondContact O-N 2.97Å; K22-K26 WeakPolarHBondContact O-CB 3.13Å; K22-K26 PolarHBondContact O-N 3.36Å; K22-V34 HydrophobicContact CG-CG1 4.06Å
23E93.5Very high91.2Very high61 Ų6164.8 Ų64.829%0.28531%0.313SS..Hα-helixtrans-63.3-40.3174.1-72.2176.2-149.200112.2R19 L20 K26 Y27 F95R19-E23 WeakPolarHBondContact CG-OE1 3.49Å; R19-E23 IonicContact CZ-OE1 2.94Å; R19-E23 IonicContact NH1-OE1 2.82Å; R19-E23 PolarHBondContact NH1-OE1 3.12Å; R19-E23 IonicContact NH1-OE2 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.46Å; R19-E23 PolarHBondContact O-N 3.32Å; L20-E23 PolarHBondContact O-N 3.39Å; E23-K26 PolarHBondContact O-N 2.89Å; E23-Y27 PolarHBondContact O-N 2.94Å; E23-F95 HydrophobicContact CB-CE1 3.88Å; E23-F95 HydrophobicContact CB-CZ 4.02Å
24L91.3Very high90.7Very high13 Ų1366.2 Ų66.27%0.06832%0.322CS..Hα-helixtrans-64.3-49.1172.7172.962.1000111.2L20 I21 K26 Y27 E28 D93 F95L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 PolarHBondContact O-N 2.97Å; I21-L24 PolarHBondContact O-N 3.35Å; L24-K26 PolarHBondContact O-N 2.85Å; L24-Y27 CarbonylContact O-C 3.59Å; L24-Y27 WeakPolarHBondContact O-CA 3.32Å; L24-Y27 VanDerWaalsContact O-CB 3.29Å; L24-Y27 WeakPolarHBondContact O-CB 3.48Å; L24-Y27 PolarHBondContact O-N 3.39Å; L24-E28 HydrophobicContact CD1-CG 4.22Å; L24-E28 PolarHBondContact O-N 3.25Å; L24-D93 HydrophobicContact CD2-CB 4.03Å; L24-D93 WeakPolarHBondContact CD2-OD1 3.13Å; L24-F95 HydrophobicContact CB-CB 4.21Å; L24-F95 HydrophobicContact CB-CD2 3.93Å; L24-F95 HydrophobicContact CB-CE2 4.43Å; L24-F95 HydrophobicContact CB-CG 4.04Å; L24-F95 HydrophobicContact CD1-CB 4.43Å; L24-F95 HydrophobicContact CD1-CD2 3.79Å; L24-F95 HydrophobicContact CD1-CG 4.45Å; L24-F95 HydrophobicContact CD2-CB 4.37Å; L24-F95 HydrophobicContact CG-CD2 4.42Å
25A90.5Very high90.4Very high10 Ų1073.3 Ų73.38%0.08336%0.358CS..Hα-helixtrans-59-36.9178.500000111.8I21 K22 E28 D29 M30 E31 V34I21-A25 WeakPolarHBondContact O-CB 3.47Å; I21-A25 PolarHBondContact O-N 2.76Å; K22-A25 PolarHBondContact O-N 2.97Å; A25-E28 CarbonylContact O-C 3.46Å; A25-E28 PolarHBondContact O-N 2.76Å; A25-D29 PolarHBondContact O-N 2.95Å; A25-D29 VanDerWaalsContact O-N 3.14Å; A25-M30 PolarHBondContact O-N 2.88Å; A25-E31 PolarHBondContact O-N 2.9Å; A25-V34 HydrophobicContact CB-CG2 3.36Å
26K90.1Very high90.2Very high137 Ų13773.3 Ų73.360%0.59636%0.355SS*.Hα-helixtrans-65.4-38.2172-177.7177.6178.8178.90112.6K22 E23 L24 E28 D29K22-K26 WeakPolarHBondContact O-CB 3.13Å; K22-K26 PolarHBondContact O-N 3.36Å; E23-K26 PolarHBondContact O-N 2.89Å; L24-K26 PolarHBondContact O-N 2.85Å; K26-E28 PolarHBondContact O-N 2.81Å; K26-D29 PolarHBondContact O-N 2.83Å
27Y83.8Confident90.2Very high114 Ų11474 Ų7445%0.44736%0.361SS..Hα-helixtrans-64.9-26.9174.1-179.7-100.1000112.5E23 L24E23-Y27 PolarHBondContact O-N 2.94Å; L24-Y27 CarbonylContact O-C 3.59Å; L24-Y27 WeakPolarHBondContact O-CA 3.32Å; L24-Y27 VanDerWaalsContact O-CB 3.29Å; L24-Y27 WeakPolarHBondContact O-CB 3.48Å; L24-Y27 PolarHBondContact O-N 3.39Å
28E83.6Confident90.2Very high78 Ų7878.6 Ų78.636%0.36438%0.382SS..THydrogen-bonded Turntrans-97.68.5178.6-61.6-168.4156.800114L24 A25 K26 M30L24-E28 HydrophobicContact CD1-CG 4.22Å; L24-E28 PolarHBondContact O-N 3.25Å; A25-E28 CarbonylContact O-C 3.46Å; A25-E28 PolarHBondContact O-N 2.76Å; K26-E28 PolarHBondContact O-N 2.81Å; E28-M30 WeakPolarHBondContact O-CG 3.5Å; E28-M30 PolarHBondContact O-N 2.95Å
29D85.4Confident90.2Very high160 Ų16084.2 Ų84.286%0.85641%0.406SS*.THydrogen-bonded Turntrans55.933.2-175.6-63.7-46.7000113.8A25 K26A25-D29 PolarHBondContact O-N 2.95Å; A25-D29 VanDerWaalsContact O-N 3.14Å; K26-D29 PolarHBondContact O-N 2.83Å
30M84.6Confident90.2Very high77 Ų7783.2 Ų83.238%0.37941%0.407SS..  trans-124.618.5-175.3-69.6179.170.500113.9A25 E28 D32 Q33A25-M30 PolarHBondContact O-N 2.88Å; E28-M30 WeakPolarHBondContact O-CG 3.5Å; E28-M30 PolarHBondContact O-N 2.95Å; M30-D32 VanDerWaalsContact C-N 3.28Å; M30-D32 PolarHBondContact O-N 2.84Å; M30-Q33 VanDerWaalsContact CE-OE1 3.25Å; M30-Q33 WeakPolarHBondContact O-CB 3.33Å; M30-Q33 PolarHBondContact O-N 3.29Å
31E82.2Confident90.2Very high103 Ų10383.3 Ų83.348%0.48141%0.407SS..G310 helixtrans-54.5-39.7-175.7-170.4172.6-170.200113.3A25 Q33 V34A25-E31 PolarHBondContact O-N 2.9Å; E31-Q33 PolarHBondContact O-N 2.97Å; E31-Q33 VanDerWaalsContact O-N 3.14Å; E31-V34 PolarHBondContact O-N 3.33Å; E31-V34 VanDerWaalsContact O-N 3.16Å
32D82.1Confident90.2Very high167 Ų16786.4 Ų86.489%0.89342%0.423SS*.G310 helixtrans-66.2-14179.4-68.7-32.4000114.1M30M30-D32 VanDerWaalsContact C-N 3.28Å; M30-D32 PolarHBondContact O-N 2.84Å
33Q83.9Confident90.3Very high128 Ų12887.4 Ų87.460%0.59843%0.429SS*.G310 helixtrans-88.5-9.5179.1-56.9-171.338.800112.7M30 E31 I35M30-Q33 VanDerWaalsContact CE-OE1 3.25Å; M30-Q33 WeakPolarHBondContact O-CB 3.33Å; M30-Q33 PolarHBondContact O-N 3.29Å; E31-Q33 PolarHBondContact O-N 2.97Å; E31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-I35 PolarHBondContact O-N 2.77Å
34V86.8Confident90.5Very high36 Ų3687.7 Ų87.722%0.21843%0.433CS..  trans-75.788.2179.8-1730000109.9L18 I21 K22 A25 E31 L36L18-V34 HydrophobicContact CD1-CG1 4.46Å; I21-V34 HydrophobicContact CG2-CG1 4.14Å; K22-V34 HydrophobicContact CG-CG1 4.06Å; A25-V34 HydrophobicContact CB-CG2 3.36Å; E31-V34 PolarHBondContact O-N 3.33Å; E31-V34 VanDerWaalsContact O-N 3.16Å; V34-L36 HydrophobicContact CG1-CB 4.46Å
35I91.2Very high90.8Very high154 Ų15487.5 Ų87.579%0.7943%0.434SS*.  trans-87.9-7.5173.360.8172.1000113.2Q33Q33-I35 PolarHBondContact O-N 2.77Å
36L92.7Very high91.1Very high61 Ų6189.9 Ų89.932%0.31944%0.443SS..  trans-68.5135.6-176.2-164.268.7000111.2L18 I21 V34 D40 L41L18-L36 WeakPolarHBondContact CD1-O 3.38Å; I21-L36 HydrophobicContact CD1-CD2 4.06Å; V34-L36 HydrophobicContact CG1-CB 4.46Å; L36-D40 HydrophobicContact CD1-CB 3.76Å; L36-L41 HydrophobicContact CD2-CD1 4.2Å; L36-L41 HydrophobicContact CD2-CD2 3.44Å; L36-L41 VanDerWaalsContact CD2-CD2 3.44Å; L36-L41 HydrophobicContact CD2-CG 3.68Å; L36-L41 HydrophobicContact CG-CD2 4.28Å; L36-L41 HydrophobicContact CG-CG 4.02Å
37T95.7Very high91.1Very high62 Ų6285.2 Ų85.238%0.3843%0.433SS..  trans-109.9163.517873.60000112.2K39 D40 L41T37-K39 PolarHBondContact O-N 2.96Å; T37-K39 PolarHBondContact OG1-N 3.21Å; T37-D40 WeakPolarHBondContact CB-OD2 3.18Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.39Å; T37-D40 PolarHBondContact N-OD2 2.87Å; T37-D40 PolarHBondContact O-N 2.94Å; T37-D40 PolarHBondContact OG1-N 3.29Å; T37-D40 PolarHBondContact OG1-OD2 3.05Å; T37-L41 PolarHBondContact O-N 2.85Å; T37-L41 VanDerWaalsContact O-N 3.09Å
38E96.9Very high91.5Very high97 Ų9787.4 Ų87.445%0.45345%0.453SS..Hα-helixtrans-58.9-33.5172.7-66.1-175.9-161.800111.8V14 L18 L42V14-E38 HydrophobicContact CG1-CB 3.67Å; V14-E38 HydrophobicContact CG1-CG 4.05Å; V14-E38 VanDerWaalsContact CG1-O 3.3Å; V14-E38 WeakPolarHBondContact CG1-O 3.42Å; L18-E38 HydrophobicContact CB-CG 4.39Å; L18-E38 HydrophobicContact CD2-CG 3.53Å; E38-L42 WeakPolarHBondContact O-CB 3.36Å; E38-L42 PolarHBondContact O-N 3.43Å
39K96.7Very high92Very high131 Ų13191.8 Ų91.857%0.5747%0.473SS*.Hα-helixtrans-64.4-47.3177.1-175.4-172.9169.1-168.10110.9T37 L42 E43T37-K39 PolarHBondContact O-N 2.96Å; T37-K39 PolarHBondContact OG1-N 3.21Å; K39-L42 PolarHBondContact O-N 2.95Å; K39-E43 VanDerWaalsContact CE-CD 3.48Å; K39-E43 WeakPolarHBondContact CE-OE1 3.34Å; K39-E43 IonicContact NZ-OE1 2.75Å; K39-E43 WeakPolarHBondContact O-CG 3.26Å; K39-E43 PolarHBondContact O-N 3.38Å
40D96.1Very high92.6Very high53 Ų5386.3 Ų86.328%0.28345%0.446SS..Hα-helixtrans-61.5-47.2179.6-51.5-44000110.4L36 T37 L42 E43 D44L36-D40 HydrophobicContact CD1-CB 3.76Å; T37-D40 WeakPolarHBondContact CB-OD2 3.18Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.39Å; T37-D40 PolarHBondContact N-OD2 2.87Å; T37-D40 PolarHBondContact O-N 2.94Å; T37-D40 PolarHBondContact OG1-N 3.29Å; T37-D40 PolarHBondContact OG1-OD2 3.05Å; D40-L42 VanDerWaalsContact C-N 3.3Å; D40-L42 PolarHBondContact O-N 3.39Å; D40-E43 PolarHBondContact O-N 3.02Å; D40-D44 VanDerWaalsContact O-CB 3.26Å; D40-D44 WeakPolarHBondContact O-CB 3.33Å; D40-D44 PolarHBondContact O-N 3.24Å
41L97.3Very high93.2Very high1 Ų190.4 Ų90.41%0.00546%0.462CS..Hα-helixtrans-57.4-41.6175.2-75.2169.1000112.4V14 I17 L18 I21 L36 T37 G45 Y52 M76V14-L41 HydrophobicContact CG1-CB 3.9Å; V14-L41 HydrophobicContact CG1-CD1 4.28Å; V14-L41 HydrophobicContact CG2-CB 4.41Å; I17-L41 HydrophobicContact CG2-CD1 4.3Å; I17-L41 HydrophobicContact CG2-CD2 4.31Å; L18-L41 HydrophobicContact CB-CD1 3.72Å; L18-L41 HydrophobicContact CD1-CD1 4.08Å; L18-L41 HydrophobicContact CG-CD1 4.4Å; I21-L41 HydrophobicContact CD1-CD1 4.4Å; I21-L41 HydrophobicContact CD1-CD2 4.13Å; L36-L41 HydrophobicContact CD2-CD1 4.2Å; L36-L41 HydrophobicContact CD2-CD2 3.44Å; L36-L41 VanDerWaalsContact CD2-CD2 3.44Å; L36-L41 HydrophobicContact CD2-CG 3.68Å; L36-L41 HydrophobicContact CG-CD2 4.28Å; L36-L41 HydrophobicContact CG-CG 4.02Å; T37-L41 PolarHBondContact O-N 2.85Å; T37-L41 VanDerWaalsContact O-N 3.09Å; L41-G45 WeakPolarHBondContact O-CA 3.24Å; L41-G45 PolarHBondContact O-N 3.43Å; L41-Y52 VanDerWaalsContact CA-OH 3.24Å; L41-Y52 WeakPolarHBondContact CA-OH 3.3Å; L41-Y52 WeakPolarHBondContact CB-OH 3.49Å; L41-Y52 HydrophobicContact CD2-CE1 4.04Å; L41-Y52 HydrophobicContact CD2-CE2 4.48Å; L41-Y52 WeakPolarHBondContact CD2-OH 3.4Å; L41-Y52 PolarHBondContact O-OH 3.07Å; L41-M76 HydrophobicContact CD2-CE 3.99Å
42L96.9Very high94Very high80 Ų8086.4 Ų86.442%0.41944%0.443SS..Hα-helixtrans-66.2-47.2179.5-176.263.3000111.7P11 V14 E38 K39 D40 F46P11-L42 HydrophobicContact CB-CD1 3.69Å; P11-L42 HydrophobicContact CG-CD1 4.37Å; V14-L42 HydrophobicContact CG2-CB 4.41Å; V14-L42 HydrophobicContact CG2-CD1 4.33Å; E38-L42 WeakPolarHBondContact O-CB 3.36Å; E38-L42 PolarHBondContact O-N 3.43Å; K39-L42 PolarHBondContact O-N 2.95Å; D40-L42 VanDerWaalsContact C-N 3.3Å; D40-L42 PolarHBondContact O-N 3.39Å; L42-F46 HydrophobicContact CD1-CB 4.43Å; L42-F46 HydrophobicContact CD1-CD2 4.17Å; L42-F46 PolarHBondContact O-N 3.29Å
43E95.9Very high94.7Very high113 Ų11381.5 Ų81.553%0.52841%0.414SS..Hα-helixtrans-67.5-47-178.4-71179.5173.600111.4K39 D40 G47K39-E43 VanDerWaalsContact CE-CD 3.48Å; K39-E43 WeakPolarHBondContact CE-OE1 3.34Å; K39-E43 IonicContact NZ-OE1 2.75Å; K39-E43 WeakPolarHBondContact O-CG 3.26Å; K39-E43 PolarHBondContact O-N 3.38Å; D40-E43 PolarHBondContact O-N 3.02Å; E43-G47 PolarHBondContact O-N 2.81Å
44D97.5Very high95.4Very high67 Ų6775.9 Ų75.936%0.35839%0.389SS..Hα-helixtrans-80.6-26.9-174.6-65.3-21.1000113D40 P50 F51 Y52D40-D44 VanDerWaalsContact O-CB 3.26Å; D40-D44 WeakPolarHBondContact O-CB 3.33Å; D40-D44 PolarHBondContact O-N 3.24Å; D44-P50 CarbonylContact O-C 3.59Å; D44-P50 WeakPolarHBondContact O-CA 3.06Å; D44-F51 HydrophobicContact CB-CB 4.44Å; D44-F51 PolarHBondContact O-N 3.22Å; D44-Y52 HydrophobicContact CB-CD1 4.36Å; D44-Y52 HydrophobicContact CB-CE1 4.04Å
45G97.4Very high96Very high9 Ų974.3 Ų74.39%0.09338%0.379CS..Hα-helixtrans-96.7-21.5-174.900000115.5L41 P50 Y52L41-G45 WeakPolarHBondContact O-CA 3.24Å; L41-G45 PolarHBondContact O-N 3.43Å; G45-P50 WeakPolarHBondContact O-CB 3.35Å; G45-Y52 VanDerWaalsContact CA-CZ 3.46Å
46F96.4Very high96.3Very high60 Ų6067 Ų6726%0.26334%0.342SS..Hα-helixtrans-134.58.2-168.8-56.1-86.1000114.8A9 P11 V14 L42A9-F46 HydrophobicContact CB-CE1 4.27Å; A9-F46 HydrophobicContact CB-CZ 3.98Å; P11-F46 HydrophobicContact CG-CB 4.14Å; P11-F46 HydrophobicContact CG-CD1 3.88Å; P11-F46 HydrophobicContact CG-CE1 4.47Å; P11-F46 HydrophobicContact CG-CG 3.98Å; V14-F46 HydrophobicContact CG2-CD2 4.12Å; V14-F46 HydrophobicContact CG2-CE2 3.53Å; V14-F46 HydrophobicContact CG2-CZ 4.35Å; L42-F46 HydrophobicContact CD1-CB 4.43Å; L42-F46 HydrophobicContact CD1-CD2 4.17Å; L42-F46 PolarHBondContact O-N 3.29Å
47G90.9Very high96.6Very high39 Ų3964.1 Ų64.140%0.40233%0.327SS..SBendtrans-72.7-174.216900000113.8E43 H49E43-G47 PolarHBondContact O-N 2.81Å; G47-H49 PolarHBondContact O-N 3.5Å
48D91.9Very high96.5Very high160 Ų16062 Ų6286%0.85631%0.312SS*.SBendtrans-63.7-30-179.1-67.6-32.5000113.2
49H93.8Very high96.3Very high169 Ų16958 Ų5878%0.78230%0.295SS*.SBendtrans-130.977179.7-63.1-54.2000109.7G47G47-H49 PolarHBondContact O-N 3.5Å
50P96.8Very high95.8Very high45 Ų4556.1 Ų56.129%0.29230%0.296SS..  trans-68.5136.4-174.630.4-36.4000111D44 G45 Y52D44-P50 CarbonylContact O-C 3.59Å; D44-P50 WeakPolarHBondContact O-CA 3.06Å; G45-P50 WeakPolarHBondContact O-CB 3.35Å; P50-Y52 VanDerWaalsContact C-N 3.33Å
51F98Very high95Very high164 Ų16455.4 Ų55.472%0.71930%0.295SS*.SBendtrans-74-26.4176.2-83-93.2000112.5D44 Y78D44-F51 HydrophobicContact CB-CB 4.44Å; D44-F51 PolarHBondContact O-N 3.22Å; F51-Y78 WeakPolarHBondContact O-CB 3.48Å
52Y98.4Very high93.5Very high19 Ų1964.3 Ų64.38%0.07534%0.336CS..  trans-139.7164.9177.172.5-94.4000111.8L41 D44 G45 P50 C54 M76L41-Y52 VanDerWaalsContact CA-OH 3.24Å; L41-Y52 WeakPolarHBondContact CA-OH 3.3Å; L41-Y52 WeakPolarHBondContact CB-OH 3.49Å; L41-Y52 HydrophobicContact CD2-CE1 4.04Å; L41-Y52 HydrophobicContact CD2-CE2 4.48Å; L41-Y52 WeakPolarHBondContact CD2-OH 3.4Å; L41-Y52 PolarHBondContact O-OH 3.07Å; D44-Y52 HydrophobicContact CB-CD1 4.36Å; D44-Y52 HydrophobicContact CB-CE1 4.04Å; G45-Y52 VanDerWaalsContact CA-CZ 3.46Å; P50-Y52 VanDerWaalsContact C-N 3.33Å; Y52-C54 HydrophobicContact CD2-CB 4.49Å; Y52-C54 HydrophobicContact CE2-CB 4.27Å; Y52-M76 HydrophobicContact CD1-SD 4.33Å; Y52-M76 HydrophobicContact CD2-CE 3.88Å; Y52-M76 HydrophobicContact CD2-CG 3.7Å; Y52-M76 HydrophobicContact CD2-SD 3.88Å; Y52-M76 HydrophobicContact CE2-CE 3.8Å; Y52-M76 HydrophobicContact CE2-SD 4.4Å; Y52-M76 HydrophobicContact CG-CE 4.31Å; Y52-M76 HydrophobicContact CG-CG 3.98Å; Y52-M76 HydrophobicContact CG-SD 3.86Å
53H98.4Very high91.3Very high64 Ų6468.4 Ų68.430%0.29635%0.351SS..EExtended strand (participates in β ladder)trans-123.5149.3171.3-60.6-53.5000109.5M76 Y77 F79H53-M76 CarbonylContact O-C 3.48Å; H53-M76 WeakPolarHBondContact O-CA 2.82Å; H53-Y77 HydrophobicContact CB-CD1 3.97Å; H53-Y77 HydrophobicContact CB-CD2 4.32Å; H53-Y77 HydrophobicContact CB-CE1 3.44Å; H53-Y77 VanDerWaalsContact CB-CE1 3.44Å; H53-Y77 HydrophobicContact CB-CE2 3.85Å; H53-Y77 HydrophobicContact CB-CG 4.38Å; H53-Y77 AromaticContact CD2-CE2 3.81Å; H53-Y77 PolarHBondContact N-O 3.02Å; H53-Y77 WeakPolarHBondContact O-CD1 3.1Å; H53-Y77 PolarHBondContact O-N 3.46Å; H53-F79 AromaticContact CD2-CE2 3.86Å; H53-F79 AromaticContact NE2-CE2 3.86Å
54C98.3Very high88.9Confident10 Ų1073 Ų737%0.06837%0.373CS..EExtended strand (participates in β ladder)trans-130.8137-179.9-170.50000111.8A9 I17 Y52 A75A9-C54 HydrophobicContact CB-CB 3.72Å; A9-C54 WeakPolarHBondContact CB-O 3.37Å; A9-C54 PolarHBondContact N-O 2.72Å; I17-C54 HydrophobicContact CD1-CB 4.15Å; Y52-C54 HydrophobicContact CD2-CB 4.49Å; Y52-C54 HydrophobicContact CE2-CB 4.27Å; C54-A75 CarbonylContact C-O 3.53Å; C54-A75 VanDerWaalsContact CA-O 3.32Å; C54-A75 WeakPolarHBondContact CA-O 3.45Å
55I98.3Very high86.6Confident3 Ų373 Ų732%0.01538%0.377CS..EExtended strand (participates in β ladder)trans-106.2136.4166.3-61.1-55.3000107.5R7 K8 F74 A75 Y77 L112R7-I55 WeakPolarHBondContact O-CA 3.46Å; K8-I55 HydrophobicContact CG-CD1 3.98Å; I55-F74 CarbonylContact O-C 3.5Å; I55-F74 WeakPolarHBondContact O-CA 3.45Å; I55-F74 WeakPolarHBondContact O-CB 3.37Å; I55-A75 PolarHBondContact N-O 3.03Å; I55-A75 PolarHBondContact O-N 3.37Å; I55-Y77 HydrophobicContact CG1-CE1 4.16Å; I55-L112 HydrophobicContact CD1-CD2 3.77Å; I55-L112 HydrophobicContact CG1-CD2 4.02Å; I55-L112 HydrophobicContact CG2-CD2 3.79Å
56V98.3Very high84.6Confident0 Ų080.6 Ų80.60%042%0.416CS..EExtended strand (participates in β ladder)trans-117.1145.2174.8-65.80000110.9L6 R7 A9 D13 I17 V71 G73 F74L6-V56 WeakPolarHBondContact CA-O 3.18Å; R7-V56 HydrophobicContact CG-CG2 3.84Å; R7-V56 PolarHBondContact N-O 2.78Å; R7-V56 PolarHBondContact O-N 3.39Å; A9-V56 HydrophobicContact CB-CG1 4.1Å; D13-V56 HydrophobicContact CB-CG1 4.49Å; I17-V56 HydrophobicContact CD1-CG1 4.38Å; I17-V56 HydrophobicContact CG1-CG1 4.16Å; V56-V71 HydrophobicContact CB-CG1 3.82Å; V56-V71 HydrophobicContact CB-CG2 4.49Å; V56-V71 HydrophobicContact CG1-CG1 3.94Å; V56-G73 WeakPolarHBondContact CA-O 3.47Å; V56-F74 HydrophobicContact CG1-CB 4.46Å
57A97.6Very high83Confident0 Ų084 Ų840%044%0.437CS..EExtended strand (participates in β ladder)trans-102.8121.6168.900000109.2K5 L6 V71 I72 G73 I105 I109K5-A57 WeakPolarHBondContact O-CA 3.13Å; L6-A57 HydrophobicContact CD2-CB 3.46Å; L6-A57 VanDerWaalsContact CD2-CB 3.46Å; A57-V71 CarbonylContact O-C 3.54Å; A57-V71 WeakPolarHBondContact O-CA 3.34Å; A57-I72 HydrophobicContact CB-CG1 4.24Å; A57-I72 WeakPolarHBondContact O-CG1 3.44Å; A57-I72 PolarHBondContact O-N 2.94Å; A57-G73 PolarHBondContact N-O 2.95Å; A57-I105 HydrophobicContact CB-CG2 3.65Å; A57-I109 HydrophobicContact CB-CD1 4.37Å
58E95.2Very high82.1Confident17 Ų1784 Ų848%0.07944%0.437CS..EExtended strand (participates in β ladder)trans-115.7143.617970.4-171.3176.100111.8F4 K5 R7 P69 V70F4-E58 CarbonylContact C-O 3.57Å; F4-E58 WeakPolarHBondContact CA-O 3.35Å; K5-E58 HydrophobicContact CB-CG 3.94Å; K5-E58 WeakPolarHBondContact CD-OE1 3.49Å; K5-E58 WeakPolarHBondContact CE-OE1 3.3Å; K5-E58 HydrophobicContact CG-CG 4.45Å; K5-E58 PolarHBondContact N-O 3.3Å; K5-E58 IonicContact NZ-OE1 3.57Å; K5-E58 PolarHBondContact NZ-OE1 3.38Å; K5-E58 PolarHBondContact O-N 2.67Å; R7-E58 IonicContact CZ-OE2 2.97Å; R7-E58 VanDerWaalsContact CZ-OE2 3.28Å; R7-E58 IonicContact NE-OE1 2.77Å; R7-E58 PolarHBondContact NE-OE1 3.34Å; R7-E58 IonicContact NE-OE2 3.36Å; R7-E58 PolarHBondContact NE-OE2 3.41Å; R7-E58 IonicContact NH2-OE2 3.61Å; R7-E58 PolarHBondContact NH2-OE2 2.72Å; E58-P69 HydrophobicContact CB-CB 3.96Å; E58-P69 HydrophobicContact CG-CB 4.1Å; E58-V70 CarbonylContact C-O 3.41Å; E58-V70 VanDerWaalsContact CA-O 3.22Å; E58-V70 WeakPolarHBondContact CA-O 3.42Å
59V92Very high81.7Confident14 Ų1479.8 Ų79.89%0.08542%0.419CS..EExtended strand (participates in β ladder)trans-116.6151170.8-65.20000110.5R3 F4 S61 P69 V70 I72 Y100R3-V59 WeakPolarHBondContact O-CG1 3.46Å; F4-V59 HydrophobicContact CB-CG1 3.87Å; V59-S61 PolarHBondContact O-N 2.92Å; V59-P69 CarbonylContact O-C 3.6Å; V59-P69 VanDerWaalsContact O-CA 3.3Å; V59-P69 WeakPolarHBondContact O-CA 3.34Å; V59-P69 WeakPolarHBondContact O-CB 3.47Å; V59-V70 HydrophobicContact CG2-CB 4.28Å; V59-V70 PolarHBondContact N-O 3.16Å; V59-V70 PolarHBondContact O-N 2.84Å; V59-I72 HydrophobicContact CG1-CD1 3.4Å; V59-I72 VanDerWaalsContact CG1-CD1 3.4Å; V59-I72 HydrophobicContact CG1-CG1 4.02Å; V59-I72 HydrophobicContact CG2-CD1 4.49Å; V59-I72 HydrophobicContact CG2-CG2 3.71Å; V59-Y100 HydrophobicContact CG1-CD1 4.45Å; V59-Y100 HydrophobicContact CG1-CE1 4.27Å; V59-Y100 HydrophobicContact CG2-CE1 4.07Å
60P86.8Confident81.5Confident91 Ų9174.6 Ų74.659%0.59140%0.398SS*.  trans-56.6136.1170.1-20.131.9000110.4E62P60-E62 PolarHBondContact O-N 3.23Å
61S78.1Confident81.5Confident38 Ų3872.5 Ų72.527%0.26639%0.385SS..  trans-63.8120.6173.2169.50000110.1V59 K63 G68V59-S61 PolarHBondContact O-N 2.92Å; S61-K63 PolarHBondContact O-N 2.83Å; S61-K63 PolarHBondContact OG-N 3.49Å; S61-K63 PolarHBondContact OG-O 2.98Å; S61-G68 WeakPolarHBondContact CB-O 3.38Å
62E65.8Low81.4Confident188 Ų18864.7 Ų64.788%0.87935%0.351SS*.SBendtrans-65.2-27.1175.6-64.9-171.4161.200112.2P60P60-E62 PolarHBondContact O-N 3.23Å
63K52.2Low81.3Confident167 Ų16763.8 Ų63.873%0.72635%0.347SS*.SBendtrans-83.4122.1174.1-65.2-179.3-176.8175.70107.6S61 S65S61-K63 PolarHBondContact O-N 2.83Å; S61-K63 PolarHBondContact OG-N 3.49Å; S61-K63 PolarHBondContact OG-O 2.98Å; K63-S65 PolarHBondContact O-N 2.72Å
64Q45Very low81.3Confident210 Ų21060.8 Ų60.898%0.98133%0.333SS*.  trans-62.533.2168.9-63.8167.2900113
65S48.2Very low81.3Confident65 Ų6560.3 Ų60.346%0.45533%0.33SS..SBendtrans-92.8144.7172174.80000107.8K63 N67K63-S65 PolarHBondContact O-N 2.72Å; S65-N67 PolarHBondContact O-N 3.3Å
66N56.4Low81.4Confident169 Ų16960.8 Ų60.890%0.90433%0.332SS*.SBendtrans-6022.5-178.9-72.2-28.8000115.9
67N63Low81.4Confident131 Ų13161.3 Ų61.370%0.70133%0.334SS*.  trans-91.38-168.9-83.120.7000115.5S65S65-N67 PolarHBondContact O-N 3.3Å
68G72.5Confident81.4Confident39 Ų3964.5 Ų64.540%0.40235%0.347SS..  trans66.2-174.4177.500000114.1S61S61-G68 WeakPolarHBondContact CB-O 3.38Å
69P82.1Confident81.6Confident73 Ų7367.7 Ų67.747%0.47436%0.361SS..PPolyproline II helixtrans-64151174.9-19.432.8000112.5E58 V59E58-P69 HydrophobicContact CB-CB 3.96Å; E58-P69 HydrophobicContact CG-CB 4.1Å; V59-P69 CarbonylContact O-C 3.6Å; V59-P69 VanDerWaalsContact O-CA 3.3Å; V59-P69 WeakPolarHBondContact O-CA 3.34Å; V59-P69 WeakPolarHBondContact O-CB 3.47Å
70V90.7Very high81.9Confident59 Ų5969.2 Ų69.236%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-101.8130.4177.6-177.80000109.7E58 V59 I72E58-V70 CarbonylContact C-O 3.41Å; E58-V70 VanDerWaalsContact CA-O 3.22Å; E58-V70 WeakPolarHBondContact CA-O 3.42Å; V59-V70 HydrophobicContact CG2-CB 4.28Å; V59-V70 PolarHBondContact N-O 3.16Å; V59-V70 PolarHBondContact O-N 2.84Å; V70-I72 HydrophobicContact CG1-CG2 4.13Å
71V95.8Very high82.5Confident2 Ų273 Ų731%0.01237%0.374CS..EExtended strand (participates in β ladder)trans-81.6121.2174.5-179.90000109.9D16 R19 L20 V56 A57D16-V71 HydrophobicContact CB-CB 3.8Å; D16-V71 HydrophobicContact CB-CG1 4.2Å; D16-V71 HydrophobicContact CB-CG2 4.12Å; R19-V71 PolarHBondContact NH2-O 3.41Å; L20-V71 HydrophobicContact CD1-CG1 3.83Å; V56-V71 HydrophobicContact CB-CG1 3.82Å; V56-V71 HydrophobicContact CB-CG2 4.49Å; V56-V71 HydrophobicContact CG1-CG1 3.94Å; A57-V71 CarbonylContact O-C 3.54Å; A57-V71 WeakPolarHBondContact O-CA 3.34Å
72I96.3Very high83.4Confident0 Ų072.6 Ų72.60%037%0.369CS..EExtended strand (participates in β ladder)trans-120.30.3-169.856.5151.7000114A57 V59 V70 M97 Y100 I105A57-I72 HydrophobicContact CB-CG1 4.24Å; A57-I72 WeakPolarHBondContact O-CG1 3.44Å; A57-I72 PolarHBondContact O-N 2.94Å; V59-I72 HydrophobicContact CG1-CD1 3.4Å; V59-I72 VanDerWaalsContact CG1-CD1 3.4Å; V59-I72 HydrophobicContact CG1-CG1 4.02Å; V59-I72 HydrophobicContact CG2-CD1 4.49Å; V59-I72 HydrophobicContact CG2-CG2 3.71Å; V70-I72 HydrophobicContact CG1-CG2 4.13Å; I72-M97 HydrophobicContact CB-SD 4.08Å; I72-M97 HydrophobicContact CG2-SD 4.1Å; I72-M97 WeakPolarHBondContact O-CB 3.37Å; I72-M97 WeakPolarHBondContact O-CG 3.38Å; I72-M97 PolarHBondContact O-N 3.08Å; I72-Y100 HydrophobicContact CB-CD2 3.81Å; I72-Y100 HydrophobicContact CB-CE2 4.01Å; I72-Y100 HydrophobicContact CB-CG 4.08Å; I72-Y100 HydrophobicContact CD1-CD1 3.48Å; I72-Y100 VanDerWaalsContact CD1-CD1 3.48Å; I72-Y100 HydrophobicContact CD1-CD2 4.12Å; I72-Y100 HydrophobicContact CD1-CE1 4.08Å; I72-Y100 HydrophobicContact CD1-CG 3.49Å; I72-Y100 VanDerWaalsContact CD1-CG 3.49Å; I72-Y100 HydrophobicContact CG1-CG 4.42Å; I72-Y100 HydrophobicContact CG2-CD1 4.41Å; I72-Y100 HydrophobicContact CG2-CD2 3.81Å; I72-Y100 HydrophobicContact CG2-CE1 4.08Å; I72-Y100 HydrophobicContact CG2-CE2 3.45Å; I72-Y100 VanDerWaalsContact CG2-CE2 3.45Å; I72-Y100 HydrophobicContact CG2-CG 4.27Å; I72-I105 HydrophobicContact CD1-CD1 3.37Å
73G97.2Very high85Confident0 Ų068.9 Ų68.90%036%0.361CS..EExtended strand (participates in β ladder)trans-173.9158.3178.300000110.7V56 A57 F95V56-G73 WeakPolarHBondContact CA-O 3.47Å; A57-G73 PolarHBondContact N-O 2.95Å; G73-F95 CarbonylContact C-O 3.58Å; G73-F95 WeakPolarHBondContact CA-O 3.19Å
74F98.4Very high87.1Confident0 Ų070.8 Ų70.80%036%0.364CS..EExtended strand (participates in β ladder)trans-147.9163.1179.782.4-71.7000111.9L20 I21 I55 V56 M76 D93 F95L20-F74 HydrophobicContact CB-CD1 3.56Å; L20-F74 HydrophobicContact CB-CE1 3.72Å; L20-F74 HydrophobicContact CD1-CB 4.25Å; L20-F74 HydrophobicContact CD1-CD1 3.97Å; L20-F74 HydrophobicContact CG-CD1 4.41Å; I21-F74 HydrophobicContact CG1-CE1 4.34Å; I21-F74 HydrophobicContact CG1-CE2 3.97Å; I21-F74 HydrophobicContact CG1-CZ 3.58Å; I55-F74 CarbonylContact O-C 3.5Å; I55-F74 WeakPolarHBondContact O-CA 3.45Å; I55-F74 WeakPolarHBondContact O-CB 3.37Å; V56-F74 HydrophobicContact CG1-CB 4.46Å; F74-M76 HydrophobicContact CD2-CB 4.34Å; F74-M76 HydrophobicContact CE2-CB 4.04Å; F74-D93 HydrophobicContact CE2-CB 3.71Å; F74-D93 HydrophobicContact CZ-CB 3.7Å; F74-F95 HydrophobicContact CD1-CB 4Å; F74-F95 HydrophobicContact CE1-CB 3.66Å; F74-F95 PolarHBondContact N-O 2.87Å; F74-F95 PolarHBondContact O-N 3.07Å
75A98.6Very high89.6Confident0 Ų064.8 Ų64.80%034%0.337CS..EExtended strand (participates in β ladder)trans-136.9126.5162.500000109.7C54 I55 L91 D93 F94 I109 L113C54-A75 CarbonylContact C-O 3.53Å; C54-A75 VanDerWaalsContact CA-O 3.32Å; C54-A75 WeakPolarHBondContact CA-O 3.45Å; I55-A75 PolarHBondContact N-O 3.03Å; I55-A75 PolarHBondContact O-N 3.37Å; A75-L91 HydrophobicContact CB-CD1 4.03Å; A75-D93 CarbonylContact C-O 3.59Å; A75-D93 VanDerWaalsContact CA-O 3.25Å; A75-D93 WeakPolarHBondContact CA-O 3.22Å; A75-F94 HydrophobicContact CB-CD2 4.23Å; A75-I109 HydrophobicContact CB-CG2 3.57Å; A75-L113 HydrophobicContact CB-CD1 4.09Å
76M98.8Very high92Very high14 Ų1462.3 Ų62.37%0.06932%0.322CS..EExtended strand (participates in β ladder)trans-101.2131.3173.9-174177.1-64.900109.4I17 I21 L41 Y52 H53 F74 L91 E92 D93I17-M76 HydrophobicContact CG2-CE 4.43Å; I21-M76 HydrophobicContact CD1-CE 3.94Å; L41-M76 HydrophobicContact CD2-CE 3.99Å; Y52-M76 HydrophobicContact CD1-SD 4.33Å; Y52-M76 HydrophobicContact CD2-CE 3.88Å; Y52-M76 HydrophobicContact CD2-CG 3.7Å; Y52-M76 HydrophobicContact CD2-SD 3.88Å; Y52-M76 HydrophobicContact CE2-CE 3.8Å; Y52-M76 HydrophobicContact CE2-SD 4.4Å; Y52-M76 HydrophobicContact CG-CE 4.31Å; Y52-M76 HydrophobicContact CG-CG 3.98Å; Y52-M76 HydrophobicContact CG-SD 3.86Å; H53-M76 CarbonylContact O-C 3.48Å; H53-M76 WeakPolarHBondContact O-CA 2.82Å; F74-M76 HydrophobicContact CD2-CB 4.34Å; F74-M76 HydrophobicContact CE2-CB 4.04Å; M76-L91 WeakPolarHBondContact O-CD1 3.14Å; M76-E92 HydrophobicContact CB-CB 4.39Å; M76-E92 HydrophobicContact CG-CB 4.33Å; M76-E92 PolarHBondContact O-N 2.84Å; M76-D93 HydrophobicContact CB-CB 4.19Å; M76-D93 PolarHBondContact N-O 2.97Å; M76-D93 PolarHBondContact O-N 3.31Å
77Y98.8Very high94Very high11 Ų1158.7 Ų58.74%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-147.5160.6-178.973.2-82.1000111.7H53 I55 F79 L89 Y90 L113 T116H53-Y77 HydrophobicContact CB-CD1 3.97Å; H53-Y77 HydrophobicContact CB-CD2 4.32Å; H53-Y77 HydrophobicContact CB-CE1 3.44Å; H53-Y77 VanDerWaalsContact CB-CE1 3.44Å; H53-Y77 HydrophobicContact CB-CE2 3.85Å; H53-Y77 HydrophobicContact CB-CG 4.38Å; H53-Y77 AromaticContact CD2-CE2 3.81Å; H53-Y77 PolarHBondContact N-O 3.02Å; H53-Y77 WeakPolarHBondContact O-CD1 3.1Å; H53-Y77 PolarHBondContact O-N 3.46Å; I55-Y77 HydrophobicContact CG1-CE1 4.16Å; Y77-F79 HydrophobicContact CE2-CE2 4.32Å; Y77-F79 AromaticContact CE2-CZ 3.99Å; Y77-F79 HydrophobicContact CE2-CZ 3.99Å; Y77-L89 HydrophobicContact CD2-CD1 3.82Å; Y77-L89 HydrophobicContact CD2-CD2 4.29Å; Y77-L89 HydrophobicContact CD2-CG 3.94Å; Y77-L89 HydrophobicContact CE2-CD1 4.15Å; Y77-L89 HydrophobicContact CG-CD2 4.43Å; Y77-Y90 CarbonylContact C-O 3.46Å; Y77-Y90 WeakPolarHBondContact CA-O 3.37Å; Y77-Y90 WeakPolarHBondContact CB-O 3.25Å; Y77-L113 HydrophobicContact CD1-CD2 3.5Å; Y77-L113 VanDerWaalsContact CD1-CD2 3.5Å; Y77-L113 HydrophobicContact CD2-CD2 4.44Å; Y77-L113 HydrophobicContact CE1-CD2 3.85Å; Y77-L113 HydrophobicContact CG-CD2 3.83Å; Y77-T116 HydrophobicContact CE2-CG2 3.97Å
78Y98.8Very high95.7Very high66 Ų6652.7 Ų52.726%0.25927%0.266SS..EExtended strand (participates in β ladder)trans-145.4-179.5171.747.4-95.7000110F51 T80 Y90 E92F51-Y78 WeakPolarHBondContact O-CB 3.48Å; Y78-T80 HydrophobicContact CD2-CG2 3.8Å; Y78-T80 HydrophobicContact CE2-CG2 3.62Å; Y78-Y90 HydrophobicContact CD2-CG 4.47Å; Y78-Y90 HydrophobicContact CE1-CD1 4.01Å; Y78-Y90 AromaticContact CE2-CD1 3.67Å; Y78-Y90 HydrophobicContact CE2-CD1 3.67Å; Y78-Y90 AromaticContact CE2-CG 3.75Å; Y78-Y90 HydrophobicContact CE2-CG 3.75Å; Y78-Y90 AromaticContact CZ-CD1 3.34Å; Y78-Y90 AromaticContact CZ-CE1 3.93Å; Y78-Y90 AromaticContact CZ-CG 3.93Å; Y78-Y90 PolarHBondContact N-O 3.11Å; Y78-Y90 PolarHBondContact O-N 2.77Å; Y78-Y90 WeakPolarHBondContact OH-CD1 3.37Å; Y78-Y90 VanDerWaalsContact OH-CE1 3.23Å; Y78-Y90 WeakPolarHBondContact OH-CE1 3.44Å; Y78-E92 HydrophobicContact CD1-CB 4.32Å; Y78-E92 HydrophobicContact CE1-CB 3.71Å; Y78-E92 HydrophobicContact CE1-CG 4.03Å; Y78-E92 WeakPolarHBondContact CE1-OE2 3.32Å; Y78-E92 VanDerWaalsContact CZ-OE2 3.26Å; Y78-E92 PolarHBondContact OH-OE2 3.13Å
79F98.6Very high96.9Very high84 Ų8450.8 Ų50.837%0.36825%0.247SC..EExtended strand (participates in β ladder)trans-106.7134177.9-61.4-73000110.1H53 Y77 L88 L89 T116 T120H53-F79 AromaticContact CD2-CE2 3.86Å; H53-F79 AromaticContact NE2-CE2 3.86Å; Y77-F79 HydrophobicContact CE2-CE2 4.32Å; Y77-F79 AromaticContact CE2-CZ 3.99Å; Y77-F79 HydrophobicContact CE2-CZ 3.99Å; F79-L88 WeakPolarHBondContact CA-O 3.39Å; F79-L89 HydrophobicContact CE1-CD1 4.3Å; F79-L89 HydrophobicContact CE1-CG 4.49Å; F79-T116 HydrophobicContact CZ-CG2 4.13Å; F79-T120 HydrophobicContact CE1-CG2 3.91Å; F79-T120 WeakPolarHBondContact CE1-OG1 3.42Å; F79-T120 HydrophobicContact CZ-CG2 3.7Å
80T98.6Very high97.7Very high46 Ų4649.4 Ų49.428%0.28223%0.232SC..EExtended strand (participates in β ladder)trans-119.1178.8173.755.50000109.8Y78 L88 Y90Y78-T80 HydrophobicContact CD2-CG2 3.8Å; Y78-T80 HydrophobicContact CE2-CG2 3.62Å; T80-L88 PolarHBondContact N-O 3.27Å; T80-L88 PolarHBondContact O-N 3.4Å; T80-L88 WeakPolarHBondContact OG1-CB 3.41Å; T80-Y90 HydrophobicContact CG2-CD2 4.39Å; T80-Y90 HydrophobicContact CG2-CG 4.31Å
81Y98.6Very high98.1Very high170 Ų17046.7 Ų46.767%0.66722%0.216SC*.EExtended strand (participates in β ladder)trans-134.7134.7-178.3-150.1-89.8000110.5K87Y81-K87 HydrophobicContact CD2-CG 3.93Å; Y81-K87 HydrophobicContact CE2-CG 3.71Å
82D98.1Very high98.2Very high31 Ų3150.7 Ų50.717%0.16624%0.235CC..EExtended strand (participates in β ladder)trans-109.6129.8172.4179.3-69000108.8W84 I85 G86 L88D82-W84 PolarHBondContact O-N 3.08Å; D82-W84 VanDerWaalsContact OD1-CA 3.31Å; D82-W84 WeakPolarHBondContact OD1-CA 3.32Å; D82-W84 VanDerWaalsContact OD1-CB 3.3Å; D82-W84 WeakPolarHBondContact OD1-CB 3.33Å; D82-W84 PolarHBondContact OD1-N 3.29Å; D82-I85 HydrophobicContact CB-CG1 3.75Å; D82-I85 PolarHBondContact OD1-N 3.37Å; D82-G86 PolarHBondContact N-O 2.9Å; D82-G86 VanDerWaalsContact O-CA 3.27Å; D82-G86 WeakPolarHBondContact O-CA 3.46Å; D82-G86 PolarHBondContact O-N 3.48Å; D82-L88 HydrophobicContact CB-CD1 3.83Å; D82-L88 HydrophobicContact CB-CD2 4.43Å; D82-L88 HydrophobicContact CB-CG 4.03Å
83P98Very high98.2Very high109 Ų10952.7 Ų52.771%0.70825%0.245SC*.THydrogen-bonded Turntrans-67.5-20.2-176.427.1-33.7000113.9
84W96.8Very high98.2Very high208 Ų20854.6 Ų54.679%0.78825%0.254SS*.THydrogen-bonded Turntrans-90-41.7177.8-62.1-79.7000112.9D82D82-W84 PolarHBondContact O-N 3.08Å; D82-W84 VanDerWaalsContact OD1-CA 3.31Å; D82-W84 WeakPolarHBondContact OD1-CA 3.32Å; D82-W84 VanDerWaalsContact OD1-CB 3.3Å; D82-W84 WeakPolarHBondContact OD1-CB 3.33Å; D82-W84 PolarHBondContact OD1-N 3.29Å
85I97.1Very high98.1Very high84 Ų8455.3 Ų55.343%0.43126%0.257SS..THydrogen-bonded Turntrans-119.60.1-17065.3172.9000114.8D82 L88 S123D82-I85 HydrophobicContact CB-CG1 3.75Å; D82-I85 PolarHBondContact OD1-N 3.37Å; I85-L88 HydrophobicContact CD1-CD2 3.83Å; I85-L88 HydrophobicContact CG1-CD2 4.06Å; I85-S123 WeakPolarHBondContact O-CB 3.24Å; I85-S123 PolarHBondContact O-OG 3.04Å
86G98.4Very high98Very high13 Ų1355.9 Ų55.913%0.13426%0.26CS..EExtended strand (participates in β ladder)trans83.8-139.4173.100000113.6D82D82-G86 PolarHBondContact N-O 2.9Å; D82-G86 VanDerWaalsContact O-CA 3.27Å; D82-G86 WeakPolarHBondContact O-CA 3.46Å; D82-G86 PolarHBondContact O-N 3.48Å
87K98.7Very high97.7Very high92 Ų9256.3 Ų56.340%0.426%0.262SS..EExtended strand (participates in β ladder)trans-65.4138.7-171.5-65.7175.9-72.3175.70111.6Y81 T120 C122 S123Y81-K87 HydrophobicContact CD2-CG 3.93Å; Y81-K87 HydrophobicContact CE2-CG 3.71Å; K87-T120 WeakPolarHBondContact CE-O 3.01Å; K87-T120 PolarHBondContact NZ-O 3.14Å; K87-C122 CarbonylContact O-C 3.5Å; K87-C122 WeakPolarHBondContact O-CA 3.23Å; K87-S123 PolarHBondContact O-N 3.25Å
88L98.8Very high97.4Very high5 Ų563 Ų633%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-125.3154.1173.4-57.7-171.2000110.3F79 T80 D82 I85F79-L88 WeakPolarHBondContact CA-O 3.39Å; T80-L88 PolarHBondContact N-O 3.27Å; T80-L88 PolarHBondContact O-N 3.4Å; T80-L88 WeakPolarHBondContact OG1-CB 3.41Å; D82-L88 HydrophobicContact CB-CD1 3.83Å; D82-L88 HydrophobicContact CB-CD2 4.43Å; D82-L88 HydrophobicContact CB-CG 4.03Å; I85-L88 HydrophobicContact CD1-CD2 3.83Å; I85-L88 HydrophobicContact CG1-CD2 4.06Å
89L98.8Very high97.1Very high0 Ų065.6 Ų65.60%031%0.308CS..EExtended strand (participates in β ladder)trans-93.7133.6162.8-171.8150.7000107.4Y77 F79 L91 T116 A117 C122 S124 M125 H126Y77-L89 HydrophobicContact CD2-CD1 3.82Å; Y77-L89 HydrophobicContact CD2-CD2 4.29Å; Y77-L89 HydrophobicContact CD2-CG 3.94Å; Y77-L89 HydrophobicContact CE2-CD1 4.15Å; Y77-L89 HydrophobicContact CG-CD2 4.43Å; F79-L89 HydrophobicContact CE1-CD1 4.3Å; F79-L89 HydrophobicContact CE1-CG 4.49Å; L89-L91 HydrophobicContact CD2-CB 4.42Å; L89-T116 HydrophobicContact CD1-CG2 4.14Å; L89-A117 HydrophobicContact CB-CB 4.24Å; L89-A117 HydrophobicContact CD1-CB 4.15Å; L89-C122 HydrophobicContact CB-CB 4.44Å; L89-S124 PolarHBondContact N-O 3.48Å; L89-M125 HydrophobicContact CB-CG 4.46Å; L89-M125 HydrophobicContact CD2-CG 3.65Å; L89-M125 HydrophobicContact CD2-SD 3.72Å; L89-M125 CarbonylContact O-C 3.58Å; L89-M125 WeakPolarHBondContact O-CA 3.23Å; L89-H126 PolarHBondContact O-N 2.94Å
90Y98.9Very high96.8Very high43 Ų4364.4 Ų64.417%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-112.9119173.3-164.2-83.3000108.9Y77 Y78 T80 E92 H126 I128Y77-Y90 CarbonylContact C-O 3.46Å; Y77-Y90 WeakPolarHBondContact CA-O 3.37Å; Y77-Y90 WeakPolarHBondContact CB-O 3.25Å; Y78-Y90 HydrophobicContact CD2-CG 4.47Å; Y78-Y90 HydrophobicContact CE1-CD1 4.01Å; Y78-Y90 AromaticContact CE2-CD1 3.67Å; Y78-Y90 HydrophobicContact CE2-CD1 3.67Å; Y78-Y90 AromaticContact CE2-CG 3.75Å; Y78-Y90 HydrophobicContact CE2-CG 3.75Å; Y78-Y90 AromaticContact CZ-CD1 3.34Å; Y78-Y90 AromaticContact CZ-CE1 3.93Å; Y78-Y90 AromaticContact CZ-CG 3.93Å; Y78-Y90 PolarHBondContact N-O 3.11Å; Y78-Y90 PolarHBondContact O-N 2.77Å; Y78-Y90 WeakPolarHBondContact OH-CD1 3.37Å; Y78-Y90 VanDerWaalsContact OH-CE1 3.23Å; Y78-Y90 WeakPolarHBondContact OH-CE1 3.44Å; T80-Y90 HydrophobicContact CG2-CD2 4.39Å; T80-Y90 HydrophobicContact CG2-CG 4.31Å; Y90-E92 VanDerWaalsContact CE1-OE2 3.27Å; Y90-E92 WeakPolarHBondContact CE1-OE2 3.32Å; Y90-H126 CarbonylContact C-O 3.52Å; Y90-H126 WeakPolarHBondContact CA-O 3.48Å; Y90-H126 HydrophobicContact CD2-CB 3.88Å; Y90-H126 HydrophobicContact CE2-CB 4.12Å; Y90-I128 WeakPolarHBondContact OH-CD1 3.5Å; Y90-I128 WeakPolarHBondContact OH-CG1 3.41Å
91L98.8Very high96.5Very high3 Ų367 Ų672%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-90.3107.7175.2170.364.5000107.4A75 M76 L89 D93 F94 L110 L113 M125 H126 F127A75-L91 HydrophobicContact CB-CD1 4.03Å; M76-L91 WeakPolarHBondContact O-CD1 3.14Å; L89-L91 HydrophobicContact CD2-CB 4.42Å; L91-D93 WeakPolarHBondContact CD1-O 3.27Å; L91-F94 HydrophobicContact CD1-CB 4.17Å; L91-F94 HydrophobicContact CD2-CB 4.17Å; L91-F94 HydrophobicContact CG-CB 4.4Å; L91-L110 HydrophobicContact CD2-CD2 4.14Å; L91-L113 HydrophobicContact CD1-CD1 3.75Å; L91-L113 HydrophobicContact CD2-CD1 4.28Å; L91-M125 HydrophobicContact CB-CG 4.48Å; L91-M125 HydrophobicContact CB-SD 4.49Å; L91-H126 PolarHBondContact N-O 2.88Å; L91-F127 HydrophobicContact CB-CB 4.03Å; L91-F127 HydrophobicContact CB-CD1 4.47Å; L91-F127 HydrophobicContact CD2-CD1 4.44Å; L91-F127 HydrophobicContact CG-CB 4.4Å; L91-F127 VanDerWaalsContact O-CB 3.24Å; L91-F127 WeakPolarHBondContact O-CB 3.13Å
92E97.8Very high96.1Very high86 Ų8663 Ų6340%0.40232%0.317SS..EExtended strand (participates in β ladder)trans-77-63.5-177.4-174.863.7-165.500110.3M76 Y78 Y90M76-E92 HydrophobicContact CB-CB 4.39Å; M76-E92 HydrophobicContact CG-CB 4.33Å; M76-E92 PolarHBondContact O-N 2.84Å; Y78-E92 HydrophobicContact CD1-CB 4.32Å; Y78-E92 HydrophobicContact CE1-CB 3.71Å; Y78-E92 HydrophobicContact CE1-CG 4.03Å; Y78-E92 WeakPolarHBondContact CE1-OE2 3.32Å; Y78-E92 VanDerWaalsContact CZ-OE2 3.26Å; Y78-E92 PolarHBondContact OH-OE2 3.13Å; Y90-E92 VanDerWaalsContact CE1-OE2 3.27Å; Y90-E92 WeakPolarHBondContact CE1-OE2 3.32Å
93D95.9Very high95.8Very high41 Ų4166.6 Ų66.622%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-126.4144-178.7-77.6-44.4000110.7L24 F74 A75 M76 L91L24-D93 HydrophobicContact CD2-CB 4.03Å; L24-D93 WeakPolarHBondContact CD2-OD1 3.13Å; F74-D93 HydrophobicContact CE2-CB 3.71Å; F74-D93 HydrophobicContact CZ-CB 3.7Å; A75-D93 CarbonylContact C-O 3.59Å; A75-D93 VanDerWaalsContact CA-O 3.25Å; A75-D93 WeakPolarHBondContact CA-O 3.22Å; M76-D93 HydrophobicContact CB-CB 4.19Å; M76-D93 PolarHBondContact N-O 2.97Å; M76-D93 PolarHBondContact O-N 3.31Å; L91-D93 WeakPolarHBondContact CD1-O 3.27Å
94F96.5Very high95.7Very high41 Ų4162.8 Ų62.818%0.1831%0.312CS..EExtended strand (participates in β ladder)trans-145.9118.4174.8169.6-122.6000110.4A75 L91 V96 G106 I109 F139 Y140A75-F94 HydrophobicContact CB-CD2 4.23Å; L91-F94 HydrophobicContact CD1-CB 4.17Å; L91-F94 HydrophobicContact CD2-CB 4.17Å; L91-F94 HydrophobicContact CG-CB 4.4Å; F94-V96 HydrophobicContact CE2-CG2 4.05Å; F94-V96 HydrophobicContact CZ-CG2 4.2Å; F94-G106 VanDerWaalsContact CZ-CA 3.43Å; F94-I109 HydrophobicContact CD2-CG2 4.01Å; F94-I109 HydrophobicContact CE2-CB 4.14Å; F94-I109 HydrophobicContact CE2-CD1 3.87Å; F94-I109 HydrophobicContact CE2-CG2 3.9Å; F94-F139 AromaticContact CE1-CE1 3.83Å; F94-F139 HydrophobicContact CE1-CE1 3.83Å; F94-F139 HydrophobicContact CE1-CZ 4.24Å; F94-F139 HydrophobicContact CZ-CE1 4.48Å; F94-F139 HydrophobicContact CZ-CZ 4.47Å; F94-Y140 VanDerWaalsContact CD1-OH 3.31Å; F94-Y140 WeakPolarHBondContact CD1-OH 3.48Å
95F96.4Very high95.6Very high14 Ų1453.1 Ų53.16%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-144.5142-177.2-175.3-104.9000112.2L20 E23 L24 G73 F74 M97 R101L20-F95 HydrophobicContact CB-CD1 4.39Å; L20-F95 HydrophobicContact CD2-CD1 4.06Å; L20-F95 HydrophobicContact CD2-CE1 4.06Å; E23-F95 HydrophobicContact CB-CE1 3.88Å; E23-F95 HydrophobicContact CB-CZ 4.02Å; L24-F95 HydrophobicContact CB-CB 4.21Å; L24-F95 HydrophobicContact CB-CD2 3.93Å; L24-F95 HydrophobicContact CB-CE2 4.43Å; L24-F95 HydrophobicContact CB-CG 4.04Å; L24-F95 HydrophobicContact CD1-CB 4.43Å; L24-F95 HydrophobicContact CD1-CD2 3.79Å; L24-F95 HydrophobicContact CD1-CG 4.45Å; L24-F95 HydrophobicContact CD2-CB 4.37Å; L24-F95 HydrophobicContact CG-CD2 4.42Å; G73-F95 CarbonylContact C-O 3.58Å; G73-F95 WeakPolarHBondContact CA-O 3.19Å; F74-F95 HydrophobicContact CD1-CB 4Å; F74-F95 HydrophobicContact CE1-CB 3.66Å; F74-F95 PolarHBondContact N-O 2.87Å; F74-F95 PolarHBondContact O-N 3.07Å; F95-M97 HydrophobicContact CE1-CG 4.23Å; F95-R101 VanDerWaalsContact CE2-NH2 3.3Å
96V96.2Very high95.5Very high13 Ų1349.6 Ų49.68%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-131130.5167.9-1790000106.9F94 R101 I105 I109F94-V96 HydrophobicContact CE2-CG2 4.05Å; F94-V96 HydrophobicContact CZ-CG2 4.2Å; V96-R101 HydrophobicContact CB-CG 4.43Å; V96-R101 HydrophobicContact CG1-CG 4.37Å; V96-R101 PolarHBondContact O-NE 3.03Å; V96-R101 PolarHBondContact O-NH2 3.37Å; V96-I105 HydrophobicContact CG1-CB 4.35Å; V96-I105 HydrophobicContact CG1-CD1 4.09Å; V96-I105 HydrophobicContact CG1-CG2 4.34Å; V96-I105 HydrophobicContact CG2-CB 4.37Å; V96-I105 HydrophobicContact CG2-CG2 3.95Å; V96-I109 HydrophobicContact CG2-CD1 4.4Å
97M94.2Very high95.4Very high23 Ų2351 Ų5111%0.11327%0.268CS..  trans-51.1140.4175.2-73.5177.374.100110.7L20 I72 F95 E99 Y100 R101L20-M97 HydrophobicContact CD2-CG 3.66Å; L20-M97 HydrophobicContact CD2-SD 4.09Å; I72-M97 HydrophobicContact CB-SD 4.08Å; I72-M97 HydrophobicContact CG2-SD 4.1Å; I72-M97 WeakPolarHBondContact O-CB 3.37Å; I72-M97 WeakPolarHBondContact O-CG 3.38Å; I72-M97 PolarHBondContact O-N 3.08Å; F95-M97 HydrophobicContact CE1-CG 4.23Å; M97-E99 VanDerWaalsContact C-N 3.34Å; M97-E99 WeakPolarHBondContact CE-OE1 3.39Å; M97-E99 PolarHBondContact O-N 2.99Å; M97-Y100 HydrophobicContact CB-CD2 3.77Å; M97-Y100 HydrophobicContact CB-CE2 4.46Å; M97-Y100 HydrophobicContact CE-CE2 4.43Å; M97-Y100 PolarHBondContact O-N 3.13Å; M97-Y100 HydrophobicContact SD-CD2 4.46Å; M97-Y100 HydrophobicContact SD-CE2 4.34Å; M97-R101 PolarHBondContact O-N 2.96Å
98E91.8Very high95.3Very high150 Ų15050.3 Ų50.370%0.70127%0.266SS*.G310 helixtrans-57.9-44.1-167.7-172.7174.7-175.700112.7Y100 R101E98-Y100 PolarHBondContact O-N 3.3Å; E98-Y100 VanDerWaalsContact O-N 3.13Å; E98-R101 WeakPolarHBondContact O-CB 3.31Å; E98-R101 PolarHBondContact O-N 3.09Å; E98-R101 VanDerWaalsContact O-N 3.08Å
99E92.2Very high95.3Very high121 Ų12150.1 Ų50.157%0.56527%0.265SS*.G310 helixtrans-67.5-13.1-179.668.5-93.8-139.300113.8M97 F103M97-E99 VanDerWaalsContact C-N 3.34Å; M97-E99 WeakPolarHBondContact CE-OE1 3.39Å; M97-E99 PolarHBondContact O-N 2.99Å; E99-F103 WeakPolarHBondContact O-CE2 3.49Å
100Y92.8Very high95.3Very high60 Ų6050.5 Ų50.524%0.23527%0.267CS..G310 helixtrans-105.44.7176.5-60.3-85.3000113.4V59 I72 M97 E98 F103 I105V59-Y100 HydrophobicContact CG1-CD1 4.45Å; V59-Y100 HydrophobicContact CG1-CE1 4.27Å; V59-Y100 HydrophobicContact CG2-CE1 4.07Å; I72-Y100 HydrophobicContact CB-CD2 3.81Å; I72-Y100 HydrophobicContact CB-CE2 4.01Å; I72-Y100 HydrophobicContact CB-CG 4.08Å; I72-Y100 HydrophobicContact CD1-CD1 3.48Å; I72-Y100 VanDerWaalsContact CD1-CD1 3.48Å; I72-Y100 HydrophobicContact CD1-CD2 4.12Å; I72-Y100 HydrophobicContact CD1-CE1 4.08Å; I72-Y100 HydrophobicContact CD1-CG 3.49Å; I72-Y100 VanDerWaalsContact CD1-CG 3.49Å; I72-Y100 HydrophobicContact CG1-CG 4.42Å; I72-Y100 HydrophobicContact CG2-CD1 4.41Å; I72-Y100 HydrophobicContact CG2-CD2 3.81Å; I72-Y100 HydrophobicContact CG2-CE1 4.08Å; I72-Y100 HydrophobicContact CG2-CE2 3.45Å; I72-Y100 VanDerWaalsContact CG2-CE2 3.45Å; I72-Y100 HydrophobicContact CG2-CG 4.27Å; M97-Y100 HydrophobicContact CB-CD2 3.77Å; M97-Y100 HydrophobicContact CB-CE2 4.46Å; M97-Y100 HydrophobicContact CE-CE2 4.43Å; M97-Y100 PolarHBondContact O-N 3.13Å; M97-Y100 HydrophobicContact SD-CD2 4.46Å; M97-Y100 HydrophobicContact SD-CE2 4.34Å; E98-Y100 PolarHBondContact O-N 3.3Å; E98-Y100 VanDerWaalsContact O-N 3.13Å; Y100-F103 WeakPolarHBondContact O-CD2 3.2Å; Y100-I105 WeakPolarHBondContact O-CD1 3.47Å
101R92.1Very high95.2Very high101 Ų10153.4 Ų53.438%0.38128%0.28SS..THydrogen-bonded Turntrans-72.2155.9174-64.7178.3-174-179.8-0.8110.7F95 V96 M97 E98 F103F95-R101 VanDerWaalsContact CE2-NH2 3.3Å; V96-R101 HydrophobicContact CB-CG 4.43Å; V96-R101 HydrophobicContact CG1-CG 4.37Å; V96-R101 PolarHBondContact O-NE 3.03Å; V96-R101 PolarHBondContact O-NH2 3.37Å; M97-R101 PolarHBondContact O-N 2.96Å; E98-R101 WeakPolarHBondContact O-CB 3.31Å; E98-R101 PolarHBondContact O-N 3.09Å; E98-R101 VanDerWaalsContact O-N 3.08Å; R101-F103 PolarHBondContact O-N 3.42Å
102G90.2Very high95.2Very high85 Ų8556 Ų5688%0.87629%0.294SS*.THydrogen-bonded Turntrans80.4-10.6-177.800000115.4G104G102-G104 VanDerWaalsContact C-N 3.28Å; G102-G104 PolarHBondContact O-N 2.88Å
103F92.3Very high95.2Very high106 Ų10652 Ų5247%0.46528%0.275SS..SBendtrans-83.85.4175.8-64-64000114.9E99 Y100 R101 I105E99-F103 WeakPolarHBondContact O-CE2 3.49Å; Y100-F103 WeakPolarHBondContact O-CD2 3.2Å; R101-F103 PolarHBondContact O-N 3.42Å; F103-I105 HydrophobicContact CB-CG1 4.43Å
104G94.2Very high95.3Very high30 Ų3052.6 Ų52.631%0.30928%0.283SS..SBendtrans84.32.317800000115.5G102 G106 S107 E108G102-G104 VanDerWaalsContact C-N 3.28Å; G102-G104 PolarHBondContact O-N 2.88Å; G104-G106 PolarHBondContact O-N 3.21Å; G104-S107 WeakPolarHBondContact O-CB 3.41Å; G104-S107 PolarHBondContact O-N 2.95Å; G104-S107 VanDerWaalsContact O-N 3.08Å; G104-E108 PolarHBondContact O-N 3.41Å; G104-E108 VanDerWaalsContact O-N 3.11Å
105I95.8Very high95.4Very high4 Ų456.3 Ų56.32%0.02130%0.301CS..Hα-helixtrans-53.9-50.7-179.9-59.8172.6000111.4F4 L6 A57 I72 V96 Y100 F103 S107 E108 I109F4-I105 HydrophobicContact CB-CG1 4.46Å; F4-I105 HydrophobicContact CD1-CD1 4.31Å; F4-I105 HydrophobicContact CD1-CG1 3.59Å; F4-I105 HydrophobicContact CD2-CG1 4.06Å; F4-I105 HydrophobicContact CE1-CG1 3.71Å; F4-I105 HydrophobicContact CE2-CB 4.49Å; F4-I105 HydrophobicContact CE2-CG1 4.17Å; F4-I105 HydrophobicContact CG-CD1 4.37Å; F4-I105 HydrophobicContact CG-CG1 3.78Å; F4-I105 HydrophobicContact CZ-CB 4.47Å; F4-I105 HydrophobicContact CZ-CG1 4.01Å; L6-I105 HydrophobicContact CD2-CG2 4.42Å; A57-I105 HydrophobicContact CB-CG2 3.65Å; I72-I105 HydrophobicContact CD1-CD1 3.37Å; V96-I105 HydrophobicContact CG1-CB 4.35Å; V96-I105 HydrophobicContact CG1-CD1 4.09Å; V96-I105 HydrophobicContact CG1-CG2 4.34Å; V96-I105 HydrophobicContact CG2-CB 4.37Å; V96-I105 HydrophobicContact CG2-CG2 3.95Å; Y100-I105 WeakPolarHBondContact O-CD1 3.47Å; F103-I105 HydrophobicContact CB-CG1 4.43Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 3.23Å; I105-E108 PolarHBondContact O-N 3.05Å; I105-E108 VanDerWaalsContact O-N 3.13Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 HydrophobicContact CG2-CG1 4.41Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 2.89Å
106G95.6Very high95.5Very high11 Ų1157 Ų5711%0.11331%0.306CS..Hα-helixtrans-59.7-36178.800000114.1F94 G104 I109 L110F94-G106 VanDerWaalsContact CZ-CA 3.43Å; G104-G106 PolarHBondContact O-N 3.21Å; G106-I109 PolarHBondContact O-N 2.74Å; G106-L110 PolarHBondContact O-N 2.88Å
107S96.1Very high95.6Very high42 Ų4256.9 Ų56.929%0.29431%0.306SS..Hα-helixtrans-65-44175.4-58.40000111.6G104 I105 L110 K111 R143G104-S107 WeakPolarHBondContact O-CB 3.41Å; G104-S107 PolarHBondContact O-N 2.95Å; G104-S107 VanDerWaalsContact O-N 3.08Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 3.23Å; S107-L110 PolarHBondContact O-N 3.04Å; S107-K111 WeakPolarHBondContact O-CB 3.38Å; S107-K111 PolarHBondContact O-N 2.92Å; S107-R143 PolarHBondContact OG-NH2 2.95Å
108E97.3Very high95.8Very high78 Ų7861.2 Ų61.236%0.36433%0.334SS..Hα-helixtrans-71.5-32.6179.2-70-59.8123.600111.8F4 L6 G104 I105 K111 L112F4-E108 HydrophobicContact CE2-CB 4.1Å; F4-E108 HydrophobicContact CE2-CG 4.26Å; F4-E108 HydrophobicContact CZ-CB 4.3Å; F4-E108 HydrophobicContact CZ-CG 4.04Å; L6-E108 HydrophobicContact CD1-CB 3.55Å; L6-E108 WeakPolarHBondContact CD1-O 3.35Å; G104-E108 PolarHBondContact O-N 3.41Å; G104-E108 VanDerWaalsContact O-N 3.11Å; I105-E108 PolarHBondContact O-N 3.05Å; I105-E108 VanDerWaalsContact O-N 3.13Å; E108-K111 PolarHBondContact O-N 2.75Å; E108-K111 IonicContact OE1-NZ 2.76Å; E108-K111 PolarHBondContact OE1-NZ 2.75Å; E108-K111 WeakPolarHBondContact OE2-CD 3.37Å; E108-K111 IonicContact OE2-NZ 3.28Å; E108-K111 PolarHBondContact OE2-NZ 2.82Å; E108-L112 PolarHBondContact O-N 2.64Å
109I97.9Very high96.1Very high0 Ų062.9 Ų62.90%034%0.339CS..Hα-helixtrans-60.8-52.3170.9-72.7172.7000110.3L6 A57 A75 F94 V96 I105 G106 K111 L112 L113L6-I109 HydrophobicContact CD1-CG1 3.88Å; L6-I109 HydrophobicContact CD2-CD1 4.34Å; L6-I109 HydrophobicContact CD2-CG1 3.77Å; L6-I109 HydrophobicContact CG-CG1 4.5Å; A57-I109 HydrophobicContact CB-CD1 4.37Å; A75-I109 HydrophobicContact CB-CG2 3.57Å; F94-I109 HydrophobicContact CD2-CG2 4.01Å; F94-I109 HydrophobicContact CE2-CB 4.14Å; F94-I109 HydrophobicContact CE2-CD1 3.87Å; F94-I109 HydrophobicContact CE2-CG2 3.9Å; V96-I109 HydrophobicContact CG2-CD1 4.4Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 HydrophobicContact CG2-CG1 4.41Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 2.89Å; G106-I109 PolarHBondContact O-N 2.74Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 PolarHBondContact O-N 2.78Å; I109-L112 PolarHBondContact O-N 3.05Å; I109-L112 VanDerWaalsContact O-N 3.07Å; I109-L113 HydrophobicContact CG2-CD1 4.17Å; I109-L113 PolarHBondContact O-N 2.93Å
110L98Very high96.4Very high9 Ų959.1 Ų59.15%0.04733%0.325CS..Hα-helixtrans-60.7-36.6177.8-80.3-169.9000112.7L91 G106 S107 L113 S114 M125 F139 Y140 R143L91-L110 HydrophobicContact CD2-CD2 4.14Å; G106-L110 PolarHBondContact O-N 2.88Å; S107-L110 PolarHBondContact O-N 3.04Å; L110-L113 HydrophobicContact CD2-CD1 4.3Å; L110-L113 PolarHBondContact O-N 2.87Å; L110-S114 WeakPolarHBondContact O-CB 3.46Å; L110-S114 PolarHBondContact O-N 3.29Å; L110-S114 PolarHBondContact O-OG 3.34Å; L110-M125 HydrophobicContact CD2-CE 3.9Å; L110-F139 HydrophobicContact CD1-CD1 4.31Å; L110-F139 HydrophobicContact CD1-CE1 3.33Å; L110-F139 HydrophobicContact CD1-CZ 3.63Å; L110-F139 HydrophobicContact CG-CE1 4.08Å; L110-F139 HydrophobicContact CG-CZ 4.23Å; L110-Y140 HydrophobicContact CD1-CD1 4.18Å; L110-Y140 HydrophobicContact CD1-CE1 4.13Å; L110-Y140 HydrophobicContact CD2-CE1 4.3Å; L110-R143 VanDerWaalsContact CD1-CD 3.48Å
111K97.9Very high96.7Very high103 Ų10366 Ų6645%0.44835%0.35SS..Hα-helixtrans-62.9-42.9174-179.4-178.1169.4-164.60111.4S107 E108 I109 S114 H115S107-K111 WeakPolarHBondContact O-CB 3.38Å; S107-K111 PolarHBondContact O-N 2.92Å; E108-K111 PolarHBondContact O-N 2.75Å; E108-K111 IonicContact OE1-NZ 2.76Å; E108-K111 PolarHBondContact OE1-NZ 2.75Å; E108-K111 WeakPolarHBondContact OE2-CD 3.37Å; E108-K111 IonicContact OE2-NZ 3.28Å; E108-K111 PolarHBondContact OE2-NZ 2.82Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 PolarHBondContact O-N 2.78Å; K111-S114 WeakPolarHBondContact O-CB 3.4Å; K111-S114 PolarHBondContact O-N 2.9Å; K111-H115 PolarHBondContact O-N 2.9Å; K111-H115 PolarHBondContact O-ND1 3.4Å
112L98Very high97Very high59 Ų5962 Ų6231%0.30934%0.338SS..Hα-helixtrans-65.6-40.4176.8-174.264.2000112L6 I55 E108 I109 S114 H115 T116L6-L112 HydrophobicContact CB-CD2 4.42Å; I55-L112 HydrophobicContact CD1-CD2 3.77Å; I55-L112 HydrophobicContact CG1-CD2 4.02Å; I55-L112 HydrophobicContact CG2-CD2 3.79Å; E108-L112 PolarHBondContact O-N 2.64Å; I109-L112 PolarHBondContact O-N 3.05Å; I109-L112 VanDerWaalsContact O-N 3.07Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-H115 PolarHBondContact O-N 2.87Å; L112-T116 PolarHBondContact O-N 2.83Å; L112-T116 PolarHBondContact O-OG1 3.49Å
113L98.4Very high97.3Very high0 Ų061.7 Ų61.70%032%0.322CS..Hα-helixtrans-63.7-39.4173.4-68.9174.1000111.5A75 Y77 L91 I109 L110 H115 T116 A117 M125A75-L113 HydrophobicContact CB-CD1 4.09Å; Y77-L113 HydrophobicContact CD1-CD2 3.5Å; Y77-L113 VanDerWaalsContact CD1-CD2 3.5Å; Y77-L113 HydrophobicContact CD2-CD2 4.44Å; Y77-L113 HydrophobicContact CE1-CD2 3.85Å; Y77-L113 HydrophobicContact CG-CD2 3.83Å; L91-L113 HydrophobicContact CD1-CD1 3.75Å; L91-L113 HydrophobicContact CD2-CD1 4.28Å; I109-L113 HydrophobicContact CG2-CD1 4.17Å; I109-L113 PolarHBondContact O-N 2.93Å; L110-L113 HydrophobicContact CD2-CD1 4.3Å; L110-L113 PolarHBondContact O-N 2.87Å; L113-H115 PolarHBondContact O-N 3.32Å; L113-T116 CarbonylContact O-C 3.51Å; L113-T116 WeakPolarHBondContact O-CA 3.33Å; L113-T116 WeakPolarHBondContact O-CB 3.46Å; L113-T116 PolarHBondContact O-N 3.06Å; L113-T116 VanDerWaalsContact O-N 3.12Å; L113-A117 PolarHBondContact O-N 2.91Å; L113-M125 HydrophobicContact CB-SD 4.2Å
114S98.3Very high97.6Very high55 Ų5558.6 Ų58.639%0.38531%0.314SS..Hα-helixtrans-62.6-43.5175.2-57.60000111.8L110 K111 L112 T116 A117 V118L110-S114 WeakPolarHBondContact O-CB 3.46Å; L110-S114 PolarHBondContact O-N 3.29Å; L110-S114 PolarHBondContact O-OG 3.34Å; K111-S114 WeakPolarHBondContact O-CB 3.4Å; K111-S114 PolarHBondContact O-N 2.9Å; L112-S114 VanDerWaalsContact C-N 3.33Å; S114-T116 VanDerWaalsContact C-N 3.27Å; S114-T116 PolarHBondContact O-N 3.33Å; S114-A117 PolarHBondContact O-N 2.88Å; S114-V118 WeakPolarHBondContact O-CG2 3.34Å; S114-V118 PolarHBondContact O-N 2.94Å
115H98.2Very high97.9Very high119 Ų11959.3 Ų59.355%0.55131%0.309SS*.Hα-helixtrans-61.7-38.1173.2-76.680.3000111.7K111 L112 L113 K119K111-H115 PolarHBondContact O-N 2.9Å; K111-H115 PolarHBondContact O-ND1 3.4Å; L112-H115 PolarHBondContact O-N 2.87Å; L113-H115 PolarHBondContact O-N 3.32Å; H115-K119 VanDerWaalsContact O-CB 3.28Å; H115-K119 WeakPolarHBondContact O-CB 3.24Å; H115-K119 PolarHBondContact O-N 3.4Å
116T98.2Very high98Very high27 Ų2761.6 Ų61.617%0.16632%0.32CS..Hα-helixtrans-62.3-52.2175.7-58.60000110.4Y77 F79 L89 L112 L113 S114 V118 K119 T120Y77-T116 HydrophobicContact CE2-CG2 3.97Å; F79-T116 HydrophobicContact CZ-CG2 4.13Å; L89-T116 HydrophobicContact CD1-CG2 4.14Å; L112-T116 PolarHBondContact O-N 2.83Å; L112-T116 PolarHBondContact O-OG1 3.49Å; L113-T116 CarbonylContact O-C 3.51Å; L113-T116 WeakPolarHBondContact O-CA 3.33Å; L113-T116 WeakPolarHBondContact O-CB 3.46Å; L113-T116 PolarHBondContact O-N 3.06Å; L113-T116 VanDerWaalsContact O-N 3.12Å; S114-T116 VanDerWaalsContact C-N 3.27Å; S114-T116 PolarHBondContact O-N 3.33Å; T116-V118 PolarHBondContact O-N 3.16Å; T116-K119 PolarHBondContact O-N 3Å; T116-K119 VanDerWaalsContact O-N 3.15Å; T116-T120 PolarHBondContact O-N 2.91Å; T116-T120 PolarHBondContact O-OG1 2.83Å
117A98.5Very high98.1Very high11 Ų1163.4 Ų63.49%0.09132%0.324CS..Hα-helixtrans-55.6-46177.300000112.2L89 L113 S114 T120 R121 C122L89-A117 HydrophobicContact CB-CB 4.24Å; L89-A117 HydrophobicContact CD1-CB 4.15Å; L113-A117 PolarHBondContact O-N 2.91Å; S114-A117 PolarHBondContact O-N 2.88Å; A117-T120 PolarHBondContact O-N 3.37Å; A117-T120 PolarHBondContact O-OG1 2.85Å; A117-R121 PolarHBondContact O-N 3.28Å; A117-C122 HydrophobicContact CB-CB 3.98Å; A117-C122 PolarHBondContact O-N 3.23Å
118V98.3Very high98.2Very high115 Ų11566.5 Ų66.570%0.69734%0.337SS*.Hα-helixtrans-62.1-47.3176.4170.80000111.2S114 T116 T120 R121S114-V118 WeakPolarHBondContact O-CG2 3.34Å; S114-V118 PolarHBondContact O-N 2.94Å; T116-V118 PolarHBondContact O-N 3.16Å; V118-T120 VanDerWaalsContact C-N 3.29Å; V118-T120 PolarHBondContact O-N 2.97Å; V118-R121 PolarHBondContact O-N 3.16Å
119K98.4Very high98.1Very high184 Ų18465 Ų6580%0.833%0.333SS*.Hα-helixtrans-62.2-37.5-179.7-176.4179.6178.4-179.50112H115 T116 R121H115-K119 VanDerWaalsContact O-CB 3.28Å; H115-K119 WeakPolarHBondContact O-CB 3.24Å; H115-K119 PolarHBondContact O-N 3.4Å; T116-K119 PolarHBondContact O-N 3Å; T116-K119 VanDerWaalsContact O-N 3.15Å; K119-R121 VanDerWaalsContact C-N 3.27Å
120T98Very high97.9Very high43 Ų4367.3 Ų67.326%0.26435%0.352SS..Hα-helixtrans-85.31.1178.156.10000113.2F79 K87 T116 A117 V118 C122F79-T120 HydrophobicContact CE1-CG2 3.91Å; F79-T120 WeakPolarHBondContact CE1-OG1 3.42Å; F79-T120 HydrophobicContact CZ-CG2 3.7Å; K87-T120 WeakPolarHBondContact CE-O 3.01Å; K87-T120 PolarHBondContact NZ-O 3.14Å; T116-T120 PolarHBondContact O-N 2.91Å; T116-T120 PolarHBondContact O-OG1 2.83Å; A117-T120 PolarHBondContact O-N 3.37Å; A117-T120 PolarHBondContact O-OG1 2.85Å; V118-T120 VanDerWaalsContact C-N 3.29Å; V118-T120 PolarHBondContact O-N 2.97Å; T120-C122 VanDerWaalsContact C-N 3.29Å; T120-C122 PolarHBondContact O-N 3.35Å; T120-C122 PolarHBondContact OG1-SG 2.9Å
121R98.4Very high97.6Very high203 Ų20375.9 Ų75.977%0.76639%0.392SS*.THydrogen-bonded Turntrans56.643.3-176.9-50.1179.8-176.7176.8-0.8111.8A117 V118 K119A117-R121 PolarHBondContact O-N 3.28Å; V118-R121 PolarHBondContact O-N 3.16Å; K119-R121 VanDerWaalsContact C-N 3.27Å
122C98.7Very high97.3Very high19 Ų1974.7 Ų74.713%0.12841%0.409CS..  trans-78135.6169.3-66.80000109.5K87 L89 A117 T120K87-C122 CarbonylContact O-C 3.5Å; K87-C122 WeakPolarHBondContact O-CA 3.23Å; L89-C122 HydrophobicContact CB-CB 4.44Å; A117-C122 HydrophobicContact CB-CB 3.98Å; A117-C122 PolarHBondContact O-N 3.23Å; T120-C122 VanDerWaalsContact C-N 3.29Å; T120-C122 PolarHBondContact O-N 3.35Å; T120-C122 PolarHBondContact OG1-SG 2.9Å
123S98Very high97Very high77 Ų7772.9 Ų72.954%0.53840%0.399SS..SBendtrans-83.9-23.4-177.1-580000112.7I85 K87I85-S123 WeakPolarHBondContact O-CB 3.24Å; I85-S123 PolarHBondContact O-OG 3.04Å; K87-S123 PolarHBondContact O-N 3.25Å
124S98.6Very high96.8Very high42 Ų4278 Ų7829%0.29442%0.423SS..  trans-151.8166.9178.9-169.40000111L89 H126L89-S124 PolarHBondContact N-O 3.48Å; S124-H126 PolarHBondContact OG-CD2 3.11Å; S124-H126 VanDerWaalsContact OG-CD2 3.23Å; S124-H126 PolarHBondContact OG-NE2 3.35Å; S124-H126 VanDerWaalsContact OG-NE2 3.16Å
125M98.8Very high96.5Very high44 Ų4478.8 Ų78.822%0.21743%0.433CS..EExtended strand (participates in β ladder)trans-122.5117.7169.1178.2172.671.200109.3L89 L91 L110 L113 F127L89-M125 HydrophobicContact CB-CG 4.46Å; L89-M125 HydrophobicContact CD2-CG 3.65Å; L89-M125 HydrophobicContact CD2-SD 3.72Å; L89-M125 CarbonylContact O-C 3.58Å; L89-M125 WeakPolarHBondContact O-CA 3.23Å; L91-M125 HydrophobicContact CB-CG 4.48Å; L91-M125 HydrophobicContact CB-SD 4.49Å; L110-M125 HydrophobicContact CD2-CE 3.9Å; L113-M125 HydrophobicContact CB-SD 4.2Å; M125-F127 HydrophobicContact CE-CE1 4.23Å; M125-F127 HydrophobicContact CG-CD1 4.35Å
126H98.6Very high96.3Very high53 Ų5374.6 Ų74.625%0.24542%0.417CS..EExtended strand (participates in β ladder)trans-108152.7-179.8-67.5-176.3000111.1L89 Y90 L91 S124L89-H126 PolarHBondContact O-N 2.94Å; Y90-H126 CarbonylContact C-O 3.52Å; Y90-H126 WeakPolarHBondContact CA-O 3.48Å; Y90-H126 HydrophobicContact CD2-CB 3.88Å; Y90-H126 HydrophobicContact CE2-CB 4.12Å; L91-H126 PolarHBondContact N-O 2.88Å; S124-H126 PolarHBondContact OG-CD2 3.11Å; S124-H126 VanDerWaalsContact OG-CD2 3.23Å; S124-H126 PolarHBondContact OG-NE2 3.35Å; S124-H126 VanDerWaalsContact OG-NE2 3.16Å
127F98.6Very high96.2Very high48 Ų4875 Ų7521%0.21142%0.418CS..  trans-166.1167.3178.947.4-89.1000109.6L91 M125 V129 Y140 A145L91-F127 HydrophobicContact CB-CB 4.03Å; L91-F127 HydrophobicContact CB-CD1 4.47Å; L91-F127 HydrophobicContact CD2-CD1 4.44Å; L91-F127 HydrophobicContact CG-CB 4.4Å; L91-F127 VanDerWaalsContact O-CB 3.24Å; L91-F127 WeakPolarHBondContact O-CB 3.13Å; M125-F127 HydrophobicContact CE-CE1 4.23Å; M125-F127 HydrophobicContact CG-CD1 4.35Å; F127-V129 HydrophobicContact CD2-CG2 3.72Å; F127-V129 HydrophobicContact CE2-CG2 3.76Å; F127-Y140 HydrophobicContact CD2-CD2 4.25Å; F127-Y140 HydrophobicContact CD2-CE1 4.47Å; F127-Y140 HydrophobicContact CD2-CE2 4.04Å; F127-Y140 HydrophobicContact CE1-CD1 4.36Å; F127-Y140 AromaticContact CE2-CD1 3.75Å; F127-Y140 HydrophobicContact CE2-CD1 3.75Å; F127-Y140 AromaticContact CE2-CD2 3.48Å; F127-Y140 HydrophobicContact CE2-CD2 3.48Å; F127-Y140 VanDerWaalsContact CE2-CD2 3.48Å; F127-Y140 AromaticContact CE2-CE1 3.99Å; F127-Y140 HydrophobicContact CE2-CE1 3.99Å; F127-Y140 AromaticContact CE2-CE2 3.72Å; F127-Y140 HydrophobicContact CE2-CE2 3.72Å; F127-Y140 AromaticContact CE2-CG 3.49Å; F127-Y140 HydrophobicContact CE2-CG 3.49Å; F127-Y140 VanDerWaalsContact CE2-CG 3.49Å; F127-Y140 AromaticContact CE2-CZ 3.96Å; F127-Y140 AromaticContact CZ-CD1 3.58Å; F127-Y140 HydrophobicContact CZ-CD1 3.58Å; F127-Y140 HydrophobicContact CZ-CD2 4.14Å; F127-Y140 HydrophobicContact CZ-CE1 4.03Å; F127-Y140 AromaticContact CZ-CG 3.64Å; F127-Y140 HydrophobicContact CZ-CG 3.64Å; F127-A145 HydrophobicContact CZ-CB 4.01Å
128I97.5Very high96.1Very high107 Ų10778 Ų7855%0.54943%0.43SS..  trans-106.4147.7174.7-63.2168.3000108.9Y90 L156Y90-I128 WeakPolarHBondContact OH-CD1 3.5Å; Y90-I128 WeakPolarHBondContact OH-CG1 3.41Å; I128-L156 HydrophobicContact CD1-CD2 3.64Å
129V95.7Very high96Very high47 Ų4774.1 Ų74.129%0.28540%0.404SS..  trans-130.2131.1173.2-171.70000107.8F127 N133 I137 Y140F127-V129 HydrophobicContact CD2-CG2 3.72Å; F127-V129 HydrophobicContact CE2-CG2 3.76Å; V129-N133 HydrophobicContact CG1-CB 4.29Å; V129-I137 HydrophobicContact CB-CG1 4.49Å; V129-I137 HydrophobicContact CG1-CG1 3.67Å; V129-Y140 HydrophobicContact CG2-CD2 3.71Å; V129-Y140 HydrophobicContact CG2-CE2 3.75Å
130A92.9Very high96Very high48 Ų4866.3 Ų66.340%0.39737%0.37SS..  trans-60.5138.6174.400000111G132 N133A130-G132 PolarHBondContact O-N 2.58Å; A130-N133 HydrophobicContact CB-CB 4.11Å; A130-N133 WeakPolarHBondContact O-CB 3.38Å; A130-N133 PolarHBondContact O-N 2.8Å
131E92.2Very high96Very high190 Ų19069.1 Ų69.189%0.88838%0.378SS*.THydrogen-bonded Turntrans-56.7-37-175.3-171175.7-17500112.6N133E131-N133 VanDerWaalsContact C-N 3.35Å; E131-N133 PolarHBondContact O-N 3.06Å
132G91.3Very high95.9Very high78 Ų7867.6 Ų67.680%0.80437%0.372SS*.THydrogen-bonded Turntrans-79.7-6.9177.800000115.6A130 Q134A130-G132 PolarHBondContact O-N 2.58Å; G132-Q134 VanDerWaalsContact C-N 3.32Å; G132-Q134 PolarHBondContact O-N 3.23Å
133N91.6Very high95.9Very high21 Ų2172 Ų7211%0.11239%0.386CS..  trans-88.664.4-172-167.3-19.2000112V129 A130 E131 A135 S136 I137V129-N133 HydrophobicContact CG1-CB 4.29Å; A130-N133 HydrophobicContact CB-CB 4.11Å; A130-N133 WeakPolarHBondContact O-CB 3.38Å; A130-N133 PolarHBondContact O-N 2.8Å; E131-N133 VanDerWaalsContact C-N 3.35Å; E131-N133 PolarHBondContact O-N 3.06Å; N133-A135 PolarHBondContact O-N 3Å; N133-A135 VanDerWaalsContact O-N 3.15Å; N133-S136 VanDerWaalsContact CG-CB 3.5Å; N133-S136 PolarHBondContact ND2-OG 3.39Å; N133-S136 PolarHBondContact O-N 3.39Å; N133-S136 VanDerWaalsContact OD1-CB 3.23Å; N133-S136 WeakPolarHBondContact OD1-CB 3.48Å; N133-S136 PolarHBondContact OD1-N 3.26Å; N133-S136 VanDerWaalsContact OD1-N 3.09Å; N133-S136 PolarHBondContact OD1-OG 2.92Å; N133-I137 WeakPolarHBondContact O-CG1 3.29Å; N133-I137 PolarHBondContact O-N 3.33Å
134Q94.2Very high95.8Very high106 Ų10671.6 Ų71.650%0.49540%0.395SS..Hα-helixtrans-56-35-177.3-167.664.83800112.7G132 S136 I137 E138G132-Q134 VanDerWaalsContact C-N 3.32Å; G132-Q134 PolarHBondContact O-N 3.23Å; Q134-S136 VanDerWaalsContact C-N 3.34Å; Q134-S136 PolarHBondContact O-N 2.78Å; Q134-I137 PolarHBondContact O-N 3.16Å; Q134-E138 HydrophobicContact CG-CG 4.26Å; Q134-E138 PolarHBondContact NE2-OE1 3.14Å; Q134-E138 WeakPolarHBondContact O-CB 3.38Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 2.97Å
135A92.3Very high95.8Very high72 Ų7271.2 Ų71.260%0.59539%0.394SS*.Hα-helixtrans-60.2-44.3177.900000111.8N133 F139N133-A135 PolarHBondContact O-N 3Å; N133-A135 VanDerWaalsContact O-N 3.15Å; A135-F139 VanDerWaalsContact O-CB 3.24Å; A135-F139 WeakPolarHBondContact O-CB 3.31Å; A135-F139 PolarHBondContact O-N 3.2Å
136S93.9Very high95.8Very high31 Ų3171.9 Ų71.922%0.21741%0.407CS..Hα-helixtrans-73.3-42.6177.8-59.30000111.8N133 Q134 E138 F139 Y140N133-S136 VanDerWaalsContact CG-CB 3.5Å; N133-S136 PolarHBondContact ND2-OG 3.39Å; N133-S136 PolarHBondContact O-N 3.39Å; N133-S136 VanDerWaalsContact OD1-CB 3.23Å; N133-S136 WeakPolarHBondContact OD1-CB 3.48Å; N133-S136 PolarHBondContact OD1-N 3.26Å; N133-S136 VanDerWaalsContact OD1-N 3.09Å; N133-S136 PolarHBondContact OD1-OG 2.92Å; Q134-S136 VanDerWaalsContact C-N 3.34Å; Q134-S136 PolarHBondContact O-N 2.78Å; S136-E138 VanDerWaalsContact C-N 3.31Å; S136-E138 PolarHBondContact O-N 3.14Å; S136-F139 WeakPolarHBondContact O-CB 3.27Å; S136-F139 PolarHBondContact O-N 2.72Å; S136-F139 VanDerWaalsContact O-N 3.11Å; S136-Y140 WeakPolarHBondContact O-CD2 3.3Å; S136-Y140 PolarHBondContact O-N 2.9Å
137I96.6Very high95.8Very high35 Ų3572.5 Ų72.518%0.17941%0.412CS..Hα-helixtrans-52.5-52175.5-66.7170.1000110.2V129 N133 Q134 F139 Y140 K141V129-I137 HydrophobicContact CB-CG1 4.49Å; V129-I137 HydrophobicContact CG1-CG1 3.67Å; N133-I137 WeakPolarHBondContact O-CG1 3.29Å; N133-I137 PolarHBondContact O-N 3.33Å; Q134-I137 PolarHBondContact O-N 3.16Å; I137-F139 PolarHBondContact O-N 3.47Å; I137-Y140 PolarHBondContact O-N 2.99Å; I137-K141 HydrophobicContact CG2-CD 3.96Å; I137-K141 HydrophobicContact CG2-CG 4.43Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 WeakPolarHBondContact O-CG 3.38Å; I137-K141 PolarHBondContact O-N 3.44Å
138E96.6Very high95.8Very high74 Ų7473 Ų7335%0.34642%0.416SS..Hα-helixtrans-67.6-35.6179.5-71.2-56.8138.700112.7Q134 S136 R142Q134-E138 HydrophobicContact CG-CG 4.26Å; Q134-E138 PolarHBondContact NE2-OE1 3.14Å; Q134-E138 WeakPolarHBondContact O-CB 3.38Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 2.97Å; S136-E138 VanDerWaalsContact C-N 3.31Å; S136-E138 PolarHBondContact O-N 3.14Å; E138-R142 WeakPolarHBondContact O-CB 3.42Å; E138-R142 WeakPolarHBondContact O-CG 3.33Å; E138-R142 PolarHBondContact O-N 2.97Å; E138-R142 VanDerWaalsContact O-N 3.14Å; E138-R142 PolarHBondContact O-NH1 3.09Å
139F95.5Very high95.8Very high34 Ų3470.8 Ų70.815%0.14941%0.411CS..Hα-helixtrans-61-43.4175171.7-97000112F94 L110 A135 S136 I137 R143F94-F139 AromaticContact CE1-CE1 3.83Å; F94-F139 HydrophobicContact CE1-CE1 3.83Å; F94-F139 HydrophobicContact CE1-CZ 4.24Å; F94-F139 HydrophobicContact CZ-CE1 4.48Å; F94-F139 HydrophobicContact CZ-CZ 4.47Å; L110-F139 HydrophobicContact CD1-CD1 4.31Å; L110-F139 HydrophobicContact CD1-CE1 3.33Å; L110-F139 HydrophobicContact CD1-CZ 3.63Å; L110-F139 HydrophobicContact CG-CE1 4.08Å; L110-F139 HydrophobicContact CG-CZ 4.23Å; A135-F139 VanDerWaalsContact O-CB 3.24Å; A135-F139 WeakPolarHBondContact O-CB 3.31Å; A135-F139 PolarHBondContact O-N 3.2Å; S136-F139 WeakPolarHBondContact O-CB 3.27Å; S136-F139 PolarHBondContact O-N 2.72Å; S136-F139 VanDerWaalsContact O-N 3.11Å; I137-F139 PolarHBondContact O-N 3.47Å; F139-R143 VanDerWaalsContact CE2-NH2 3.28Å; F139-R143 PolarHBondContact O-NH1 3.18Å
140Y98.1Very high95.8Very high21 Ų2175.1 Ų75.18%0.08243%0.431CS..Hα-helixtrans-75.9-43.3178.7-65.9-57.9000112.6F94 L110 F127 V129 S136 I137 R142 R143 G144 A145F94-Y140 VanDerWaalsContact CD1-OH 3.31Å; F94-Y140 WeakPolarHBondContact CD1-OH 3.48Å; L110-Y140 HydrophobicContact CD1-CD1 4.18Å; L110-Y140 HydrophobicContact CD1-CE1 4.13Å; L110-Y140 HydrophobicContact CD2-CE1 4.3Å; F127-Y140 HydrophobicContact CD2-CD2 4.25Å; F127-Y140 HydrophobicContact CD2-CE1 4.47Å; F127-Y140 HydrophobicContact CD2-CE2 4.04Å; F127-Y140 HydrophobicContact CE1-CD1 4.36Å; F127-Y140 AromaticContact CE2-CD1 3.75Å; F127-Y140 HydrophobicContact CE2-CD1 3.75Å; F127-Y140 AromaticContact CE2-CD2 3.48Å; F127-Y140 HydrophobicContact CE2-CD2 3.48Å; F127-Y140 VanDerWaalsContact CE2-CD2 3.48Å; F127-Y140 AromaticContact CE2-CE1 3.99Å; F127-Y140 HydrophobicContact CE2-CE1 3.99Å; F127-Y140 AromaticContact CE2-CE2 3.72Å; F127-Y140 HydrophobicContact CE2-CE2 3.72Å; F127-Y140 AromaticContact CE2-CG 3.49Å; F127-Y140 HydrophobicContact CE2-CG 3.49Å; F127-Y140 VanDerWaalsContact CE2-CG 3.49Å; F127-Y140 AromaticContact CE2-CZ 3.96Å; F127-Y140 AromaticContact CZ-CD1 3.58Å; F127-Y140 HydrophobicContact CZ-CD1 3.58Å; F127-Y140 HydrophobicContact CZ-CD2 4.14Å; F127-Y140 HydrophobicContact CZ-CE1 4.03Å; F127-Y140 AromaticContact CZ-CG 3.64Å; F127-Y140 HydrophobicContact CZ-CG 3.64Å; V129-Y140 HydrophobicContact CG2-CD2 3.71Å; V129-Y140 HydrophobicContact CG2-CE2 3.75Å; S136-Y140 WeakPolarHBondContact O-CD2 3.3Å; S136-Y140 PolarHBondContact O-N 2.9Å; I137-Y140 PolarHBondContact O-N 2.99Å; Y140-R142 VanDerWaalsContact C-N 3.35Å; Y140-R142 PolarHBondContact O-N 3.45Å; Y140-R143 CarbonylContact O-C 3.48Å; Y140-R143 WeakPolarHBondContact O-CA 3.38Å; Y140-R143 WeakPolarHBondContact O-CB 3.4Å; Y140-R143 PolarHBondContact O-N 3.04Å; Y140-G144 PolarHBondContact O-N 3.03Å; Y140-A145 WeakPolarHBondContact O-CB 3.41Å; Y140-A145 PolarHBondContact O-N 3.32Å; Y140-A145 VanDerWaalsContact O-N 3.16Å
141K97.8Very high96.1Very high102 Ų10279 Ų7944%0.44344%0.441SS..Hα-helixtrans-59.7-41.3178.8-77.3-174.5176.11790112.8I137 R143 G144I137-K141 HydrophobicContact CG2-CD 3.96Å; I137-K141 HydrophobicContact CG2-CG 4.43Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 WeakPolarHBondContact O-CG 3.38Å; I137-K141 PolarHBondContact O-N 3.44Å; K141-R143 PolarHBondContact O-N 3.15Å; K141-G144 PolarHBondContact O-N 3.49Å
142R97.2Very high96.3Very high170 Ų17075.8 Ų75.864%0.64243%0.426SS*.THydrogen-bonded Turntrans-61.5-12174.2-73.1-166.3-56.6-85.31114.1E138 Y140E138-R142 WeakPolarHBondContact O-CB 3.42Å; E138-R142 WeakPolarHBondContact O-CG 3.33Å; E138-R142 PolarHBondContact O-N 2.97Å; E138-R142 VanDerWaalsContact O-N 3.14Å; E138-R142 PolarHBondContact O-NH1 3.09Å; Y140-R142 VanDerWaalsContact C-N 3.35Å; Y140-R142 PolarHBondContact O-N 3.45Å
143R97.3Very high96.6Very high111 Ų11174.3 Ų74.342%0.41941%0.411SS..THydrogen-bonded Turntrans-109.612.2177.2-68.4170.7177.569.71.7112.9S107 L110 F139 Y140 K141S107-R143 PolarHBondContact OG-NH2 2.95Å; L110-R143 VanDerWaalsContact CD1-CD 3.48Å; F139-R143 VanDerWaalsContact CE2-NH2 3.28Å; F139-R143 PolarHBondContact O-NH1 3.18Å; Y140-R143 CarbonylContact O-C 3.48Å; Y140-R143 WeakPolarHBondContact O-CA 3.38Å; Y140-R143 WeakPolarHBondContact O-CB 3.4Å; Y140-R143 PolarHBondContact O-N 3.04Å; K141-R143 PolarHBondContact O-N 3.15Å
144G97.8Very high96.9Very high70 Ų7080.3 Ų80.372%0.72243%0.432SS*.THydrogen-bonded Turntrans90.213.1175.600000115Y140 K141Y140-G144 PolarHBondContact O-N 3.03Å; K141-G144 PolarHBondContact O-N 3.49Å
145A98.2Very high97Very high34 Ų3482.9 Ų82.928%0.28144%0.437SS..  trans-68.8135.817200000111.2F127 Y140F127-A145 HydrophobicContact CZ-CB 4.01Å; Y140-A145 WeakPolarHBondContact O-CB 3.41Å; Y140-A145 PolarHBondContact O-N 3.32Å; Y140-A145 VanDerWaalsContact O-N 3.16Å
146A98.1Very high97.3Very high58 Ų5886.5 Ų86.548%0.47945%0.446SS..  trans-104.9151.7171.900000109.9L148 E151A146-L148 PolarHBondContact O-N 2.82Å; A146-E151 WeakPolarHBondContact CB-OE1 3.42Å
147D98.2Very high97.4Very high66 Ų6693.7 Ų93.735%0.35347%0.474SS..  trans-94.396178.7-175.7-20.1000109.8S149 L150 E151D147-S149 PolarHBondContact O-N 3.3Å; D147-S149 WeakPolarHBondContact OD1-CA 3.46Å; D147-S149 WeakPolarHBondContact OD1-CB 3.31Å; D147-S149 PolarHBondContact OD1-N 3.37Å; D147-L150 HydrophobicContact CB-CB 4.06Å; D147-L150 PolarHBondContact O-N 3.48Å; D147-L150 VanDerWaalsContact O-N 3.17Å; D147-L150 PolarHBondContact OD1-N 2.74Å; D147-L150 VanDerWaalsContact OD1-N 3.11Å; D147-E151 WeakPolarHBondContact O-CB 3.48Å; D147-E151 WeakPolarHBondContact O-CG 3.48Å; D147-E151 PolarHBondContact O-N 3.11Å
148L98.1Very high97.4Very high57 Ų5799.7 Ų99.730%0.29850%0.498SS..Hα-helixtrans-65.7-25.3-178.8-57.7-176.8000113.1A146 L150 E152 G153A146-L148 PolarHBondContact O-N 2.82Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-E152 WeakPolarHBondContact O-CB 3.33Å; L148-E152 PolarHBondContact O-N 3.11Å; L148-G153 PolarHBondContact O-N 2.98Å
149S98Very high97.4Very high62 Ų62100.9 Ų100.943%0.43451%0.506SS..Hα-helixtrans-70.2-32.1177-61.20000111.3D147 G153 R155D147-S149 PolarHBondContact O-N 3.3Å; D147-S149 WeakPolarHBondContact OD1-CA 3.46Å; D147-S149 WeakPolarHBondContact OD1-CB 3.31Å; D147-S149 PolarHBondContact OD1-N 3.37Å; S149-G153 WeakPolarHBondContact O-CA 3.48Å; S149-G153 PolarHBondContact O-N 3.01Å; S149-R155 PolarHBondContact O-NH1 3.18Å
150L96.8Very high97.4Very high138 Ų138103.2 Ų103.272%0.72352%0.52SS*.Hα-helixtrans-84.3-45.4175.7-176.164.6000112.4D147 L148D147-L150 HydrophobicContact CB-CB 4.06Å; D147-L150 PolarHBondContact O-N 3.48Å; D147-L150 VanDerWaalsContact O-N 3.17Å; D147-L150 PolarHBondContact OD1-N 2.74Å; D147-L150 VanDerWaalsContact OD1-N 3.11Å; L148-L150 VanDerWaalsContact C-N 3.29Å
151E97.9Very high97Very high130 Ų130110 Ų11061%0.60755%0.55SS**Hα-helixtrans-76.2-39.4-173.2-70.6-179.4-154.300113A146 D147A146-E151 WeakPolarHBondContact CB-OE1 3.42Å; D147-E151 WeakPolarHBondContact O-CB 3.48Å; D147-E151 WeakPolarHBondContact O-CG 3.48Å; D147-E151 PolarHBondContact O-N 3.11Å
152E97.2Very high96.9Very high122 Ų122108.6 Ų108.657%0.5755%0.553SS**THydrogen-bonded Turntrans-113.7-9.6-174-60.2-178-158.900112.8L148 W154L148-E152 WeakPolarHBondContact O-CB 3.33Å; L148-E152 PolarHBondContact O-N 3.11Å; E152-W154 HydrophobicContact CB-CG 4.43Å; E152-W154 PolarHBondContact OE2-NE1 3.47Å
153G97Very high96.8Very high47 Ų47103 Ų10349%0.48554%0.54SS..  trans77.917.6177.100000114.5L148 S149L148-G153 PolarHBondContact O-N 2.98Å; S149-G153 WeakPolarHBondContact O-CA 3.48Å; S149-G153 PolarHBondContact O-N 3.01Å
154W97.5Very high96.7Very high147 Ų147102 Ų10256%0.55754%0.542SS*.  trans-65.4147.6178.4-66.4117.3000112.7E152E152-W154 HydrophobicContact CB-CG 4.43Å; E152-W154 PolarHBondContact OE2-NE1 3.47Å
155R97.3Very high96.5Very high160 Ų160103.2 Ų103.260%0.60453%0.532SS*.  trans-136.3134.2173.2-64.3-64.3179.3-903.2108.3S149 F157S149-R155 PolarHBondContact O-NH1 3.18Å; R155-F157 HydrophobicContact CB-CD2 4.17Å; R155-F157 HydrophobicContact CB-CE2 3.78Å; R155-F157 PolarHBondContact O-N 3.34Å
156L97.5Very high96.4Very high148 Ų148109.1 Ų109.178%0.77555%0.551SS**  trans-76.6123.1174.4-177.265.2000109.4I128I128-L156 HydrophobicContact CD1-CD2 3.64Å
157F97.7Very high96.2Very high182 Ų182112.2 Ų112.280%0.79856%0.557SS**  trans-110148.4172.9-82-111.4000109.6R155R155-F157 HydrophobicContact CB-CD2 4.17Å; R155-F157 HydrophobicContact CB-CE2 3.78Å; R155-F157 PolarHBondContact O-N 3.34Å
158K96.6Very high96Very high160 Ų160113.3 Ų113.370%0.69657%0.57SS**  trans-129.1150175.571.7171-170.8149.90111.7D160K158-D160 WeakPolarHBondContact CE-OD1 3.42Å; K158-D160 IonicContact NZ-OD1 3.55Å; K158-D160 PolarHBondContact NZ-OD1 2.91Å; K158-D160 IonicContact NZ-OD2 3.53Å; K158-D160 PolarHBondContact NZ-OD2 3.27Å
159I95.8Very high95.5Very high100 Ų100115.2 Ų115.251%0.51359%0.588SS.*  trans-123.5110.5168.3-58.8179.5000106.9S163 L164 M167I159-S163 VanDerWaalsContact CG2-CB 3.45Å; I159-L164 HydrophobicContact CB-CD2 4.11Å; I159-L164 HydrophobicContact CG2-CD2 3.78Å; I159-L164 HydrophobicContact CG2-CG 4.02Å; I159-M167 HydrophobicContact CD1-CE 4.11Å; I159-M167 HydrophobicContact CG2-CE 3.83Å
160D94.8Very high94.2Very high83 Ų83114.2 Ų114.244%0.44459%0.588SS.*  trans-69.4160.2-176-65.1-49.4000112.3K158 S162 S163 L164K158-D160 WeakPolarHBondContact CE-OD1 3.42Å; K158-D160 IonicContact NZ-OD1 3.55Å; K158-D160 PolarHBondContact NZ-OD1 2.91Å; K158-D160 IonicContact NZ-OD2 3.53Å; K158-D160 PolarHBondContact NZ-OD2 3.27Å; D160-S162 PolarHBondContact O-N 3.06Å; D160-S163 WeakPolarHBondContact O-CB 3.42Å; D160-S163 PolarHBondContact O-N 3.35Å; D160-L164 PolarHBondContact O-N 3.41Å; D160-L164 VanDerWaalsContact O-N 3.1Å
161K91.2Very high92.5Very high164 Ų164113.6 Ų113.671%0.71359%0.592SS**Hα-helixtrans-46.8-42-175.9-174.9178.3-175.9175.80114S163 L164 L165K161-S163 VanDerWaalsContact C-N 3.31Å; K161-S163 PolarHBondContact O-N 3.1Å; K161-L164 PolarHBondContact O-N 2.9Å; K161-L165 HydrophobicContact CG-CD1 4.21Å; K161-L165 HydrophobicContact CG-CG 4.47Å; K161-L165 WeakPolarHBondContact O-CB 3.35Å; K161-L165 VanDerWaalsContact O-CG 3.31Å; K161-L165 WeakPolarHBondContact O-CG 3.49Å; K161-L165 PolarHBondContact O-N 3.37Å
162S94.1Very high90.7Very high72 Ų72117.1 Ų117.150%0.50361%0.608SS.*Hα-helixtrans-62.8-37-179.958.20000112.7D160 K166D160-S162 PolarHBondContact O-N 3.06Å; S162-K166 WeakPolarHBondContact O-CG 3.4Å; S162-K166 PolarHBondContact O-N 3.17Å
163S95.8Very high88.2Confident52 Ų52124 Ų12436%0.36464%0.64SS.*Hα-helixtrans-76.8-37.7177.8-630000111.5I159 D160 K161 K166 M167I159-S163 VanDerWaalsContact CG2-CB 3.45Å; D160-S163 WeakPolarHBondContact O-CB 3.42Å; D160-S163 PolarHBondContact O-N 3.35Å; K161-S163 VanDerWaalsContact C-N 3.31Å; K161-S163 PolarHBondContact O-N 3.1Å; S163-K166 PolarHBondContact O-N 3.3Å; S163-M167 WeakPolarHBondContact O-CG 3.49Å; S163-M167 PolarHBondContact O-N 2.97Å; S163-M167 VanDerWaalsContact O-N 3.08Å
164L95.2Very high87.7Confident90 Ų90127.8 Ų127.847%0.47165%0.648SS.*Hα-helixtrans-59.8-45.3171.6-64.1176.3000111.5I159 D160 K161 K166 M167 S168I159-L164 HydrophobicContact CB-CD2 4.11Å; I159-L164 HydrophobicContact CG2-CD2 3.78Å; I159-L164 HydrophobicContact CG2-CG 4.02Å; D160-L164 PolarHBondContact O-N 3.41Å; D160-L164 VanDerWaalsContact O-N 3.1Å; K161-L164 PolarHBondContact O-N 2.9Å; L164-K166 PolarHBondContact O-N 3Å; L164-M167 HydrophobicContact CD2-CE 3.82Å; L164-M167 PolarHBondContact O-N 2.69Å; L164-S168 PolarHBondContact O-N 3.11Å
165L94.7Very high87.2Confident96 Ų96126.8 Ų126.850%0.50365%0.653SS.*Hα-helixtrans-58.8-47.1176.2-74.9171.4000111.4K161 M167 S168 S169K161-L165 HydrophobicContact CG-CD1 4.21Å; K161-L165 HydrophobicContact CG-CG 4.47Å; K161-L165 WeakPolarHBondContact O-CB 3.35Å; K161-L165 VanDerWaalsContact O-CG 3.31Å; K161-L165 WeakPolarHBondContact O-CG 3.49Å; K161-L165 PolarHBondContact O-N 3.37Å; L165-M167 VanDerWaalsContact C-N 3.33Å; L165-M167 PolarHBondContact O-N 3.02Å; L165-S168 WeakPolarHBondContact CA-OG 3.36Å; L165-S168 PolarHBondContact O-N 3.49Å; L165-S168 VanDerWaalsContact O-N 3.11Å; L165-S168 PolarHBondContact O-OG 3.08Å; L165-S169 PolarHBondContact O-N 3.17Å; L165-S169 VanDerWaalsContact O-N 3.11Å; L165-S169 PolarHBondContact O-OG 2.85Å
166K94.3Very high86.7Confident158 Ų158124.9 Ų124.969%0.68766%0.656SS**Hα-helixtrans-57.7-43.2177.2-74.2173.7-177.9-1780112.8S162 S163 L164 S168S162-K166 WeakPolarHBondContact O-CG 3.4Å; S162-K166 PolarHBondContact O-N 3.17Å; S163-K166 PolarHBondContact O-N 3.3Å; L164-K166 PolarHBondContact O-N 3Å; K166-S168 VanDerWaalsContact C-N 3.32Å
167M94.8Very high86Confident122 Ų122123.6 Ų123.660%0.60165%0.649SS**Hα-helixtrans-68.8-32.4177.7-68.8-174.2-6400112.4I159 S163 L164 L165I159-M167 HydrophobicContact CD1-CE 4.11Å; I159-M167 HydrophobicContact CG2-CE 3.83Å; S163-M167 WeakPolarHBondContact O-CG 3.49Å; S163-M167 PolarHBondContact O-N 2.97Å; S163-M167 VanDerWaalsContact O-N 3.08Å; L164-M167 HydrophobicContact CD2-CE 3.82Å; L164-M167 PolarHBondContact O-N 2.69Å; L165-M167 VanDerWaalsContact C-N 3.33Å; L165-M167 PolarHBondContact O-N 3.02Å
168S94.2Very high85.3Confident90 Ų90119.9 Ų119.963%0.62964%0.639SS**Hα-helixtrans-73.4-26.7179.7710000114L164 L165 K166 G170L164-S168 PolarHBondContact O-N 3.11Å; L165-S168 WeakPolarHBondContact CA-OG 3.36Å; L165-S168 PolarHBondContact O-N 3.49Å; L165-S168 VanDerWaalsContact O-N 3.11Å; L165-S168 PolarHBondContact O-OG 3.08Å; K166-S168 VanDerWaalsContact C-N 3.32Å; S168-G170 PolarHBondContact O-N 3.47Å
169S87.4Confident84.5Confident97 Ų97117.3 Ų117.368%0.67864%0.635SS**THydrogen-bonded Turntrans-83.3-3.8-173.9-560000114.9L165L165-S169 PolarHBondContact O-N 3.17Å; L165-S169 VanDerWaalsContact O-N 3.11Å; L165-S169 PolarHBondContact O-OG 2.85Å
170G69.8Low83.7Confident41 Ų41118.5 Ų118.542%0.42364%0.644SS.*  trans67.2169.3-174.500000113.6S168S168-G170 PolarHBondContact O-N 3.47Å
171P62.7Low82.9Confident125 Ų125121.2 Ų121.281%0.81266%0.66SS**  trans-65.1135.2166-2.617.4000109E173P171-E173 PolarHBondContact O-N 2.9Å; P171-E173 VanDerWaalsContact O-N 3.17Å
172E60Low82.2Confident203 Ų203117.7 Ų117.795%0.94966%0.655SS**  trans-61.1114.7159.9-70.2-179.516900107.1
173E43.3Very low81.1Confident266 Ų266121.8 Ų121.8100%1.24367%0.669SS**  trans-64.30171.6-78.8-174.1163.600112P171P171-E173 PolarHBondContact O-N 2.9Å; P171-E173 VanDerWaalsContact O-N 3.17Å

Retrieved 173 of 173 residues in 626.8 ms (Link to these results)

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