A0A077YYV8_TRITR Loading...

40S ribosomal protein S4

AlphaFold DB , UniProt , Accession A0A077YYV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M65.7Low90.6Very high188 Ų188122.5 Ų122.593%0.92660%0.6SS**  0130.80-72155.2171.300109.6R3M1-R3 HydrophobicContact CB-CG 4.39Å; M1-R3 PolarHBondContact O-N 3.36Å; M1-R3 PolarHBondContact SD-NH2 3.38Å
2V84.6Confident90.9Very high137 Ų137123.8 Ų123.883%0.8361%0.61SS**  trans-9084.4176.8-176.70000107.1
3R88.8Confident91.3Very high207 Ų207122.8 Ų122.878%0.78161%0.608SS**SBendtrans-13719.5-177-66.6-167-74.1-175-1.4112.8M1M1-R3 HydrophobicContact CB-CG 4.39Å; M1-R3 PolarHBondContact O-N 3.36Å; M1-R3 PolarHBondContact SD-NH2 3.38Å
4G93.1Very high91.6Very high52 Ų52115 Ų11554%0.53657%0.573SS.*SBendtrans142.4-175.5-175.300000113.4R6G4-R6 PolarHBondContact O-N 3.24Å
5P92.8Very high92Very high124 Ų124107.9 Ų107.981%0.80554%0.539SS*.  trans-62.3128.9179.925.6-33.6000110.8K7P5-K7 PolarHBondContact O-N 3.08Å
6R92.6Very high92.2Very high181 Ų181114 Ų11468%0.68356%0.561SS**  trans-67.5131.2177.5-63.1-177.5179.9-173.70.5109.8G4 R30G4-R6 PolarHBondContact O-N 3.24Å; R6-R30 PolarHBondContact O-NE 3.44Å; R6-R30 PolarHBondContact O-NH1 3.06Å; R6-R30 PolarHBondContact O-NH2 2.81Å; R6-R30 VanDerWaalsContact O-NH2 3.14Å
7K93.7Very high92.4Very high175 Ų175109.2 Ų109.276%0.76154%0.537SS*.  trans-93.2-13.3179.5-61.4-174.5-179.9-178.40114.7P5 R30P5-K7 PolarHBondContact O-N 3.08Å; K7-R30 VanDerWaalsContact C-CD 3.43Å; K7-R30 WeakPolarHBondContact O-CD 3.34Å
8H95.4Very high92.6Very high136 Ų136103.1 Ų103.163%0.6351%0.507SS*.  trans-112.5154.4-174.8-5994.7000112F27 R30H8-F27 HydrophobicContact CB-CD1 4.32Å; H8-F27 HydrophobicContact CB-CE1 4.14Å; H8-R30 PolarHBondContact O-NH1 3.26Å
9L96.3Very high92.7Very high17 Ų17102.3 Ų102.39%0.08950%0.503CS..EExtended strand (participates in β ladder)trans-128.3118.7170.4-177.763.3000108.4N13 A14 W18 A28 R30L9-N13 HydrophobicContact CD1-CB 4.38Å; L9-A14 HydrophobicContact CD2-CB 4.35Å; L9-W18 HydrophobicContact CD2-CH2 3.91Å; L9-W18 HydrophobicContact CD2-CZ3 3.73Å; L9-A28 HydrophobicContact CD2-CB 4.19Å; L9-A28 HydrophobicContact CG-CB 4.27Å; L9-A28 PolarHBondContact O-N 3.41Å; L9-R30 HydrophobicContact CB-CB 3.86Å; L9-R30 HydrophobicContact CB-CG 4.15Å
10K97Very high92.8Very high109 Ų10998.8 Ų98.847%0.47449%0.486SS..EExtended strand (participates in β ladder)trans-70.6142.7173.9-69-66.3-172.3177.20109.4L12 N13 A14 F27K10-L12 VanDerWaalsContact C-N 3.31Å; K10-L12 PolarHBondContact O-N 2.78Å; K10-N13 HydrophobicContact CB-CB 4.44Å; K10-N13 PolarHBondContact O-N 3.49Å; K10-A14 PolarHBondContact O-N 2.77Å; K10-F27 HydrophobicContact CD-CD1 4.13Å; K10-F27 HydrophobicContact CD-CE1 3.93Å
11R96.1Very high92.9Very high22 Ų2297.4 Ų97.48%0.08348%0.481CS..G310 helixtrans-60.3-40.5-175.5-163.8170.3-168116.8-11.9112.9N13 A14 L20 D21 S24 G25 C26 F27R11-N13 PolarHBondContact O-N 2.83Å; R11-A14 VanDerWaalsContact O-CB 3.23Å; R11-A14 WeakPolarHBondContact O-CB 3.32Å; R11-A14 PolarHBondContact O-N 2.81Å; R11-A14 VanDerWaalsContact O-N 3.12Å; R11-L20 HydrophobicContact CG-CB 4.29Å; R11-L20 HydrophobicContact CG-CD1 4.29Å; R11-D21 VanDerWaalsContact CD-O 3.26Å; R11-D21 WeakPolarHBondContact CD-O 3.3Å; R11-D21 IonicContact CZ-OD1 3.83Å; R11-D21 PolarHBondContact NE-O 2.91Å; R11-D21 IonicContact NE-OD1 3.94Å; R11-D21 IonicContact NH2-OD1 3.6Å; R11-D21 PolarHBondContact NH2-OD1 2.88Å; R11-D21 IonicContact NH2-OD2 2.73Å; R11-S24 VanDerWaalsContact CZ-OG 3.31Å; R11-S24 PolarHBondContact NH2-OG 3.42Å; R11-G25 WeakPolarHBondContact CD-O 3.5Å; R11-C26 PolarHBondContact N-O 2.97Å; R11-F27 PolarHBondContact NH1-O 2.81Å
12L95.2Very high94.3Very high137 Ų13796.5 Ų96.572%0.71747%0.472SS*.G310 helixtrans-61-27175.2-62.9175.6000113.6K10K10-L12 VanDerWaalsContact C-N 3.31Å; K10-L12 PolarHBondContact O-N 2.78Å
13N95.5Very high94.7Very high111 Ų11198 Ų9859%0.59447%0.474SS*.G310 helixtrans-961.3-179.3-65.9-12000112.8L9 K10 R11L9-N13 HydrophobicContact CD1-CB 4.38Å; K10-N13 HydrophobicContact CB-CB 4.44Å; K10-N13 PolarHBondContact O-N 3.49Å; R11-N13 PolarHBondContact O-N 2.83Å
14A96.2Very high94.9Very high14 Ų1492 Ų9212%0.11646%0.464CS..SBendtrans-67.6153.2177.900000111.2L9 K10 R11 K16 W18 L20 A28L9-A14 HydrophobicContact CD2-CB 4.35Å; K10-A14 PolarHBondContact O-N 2.77Å; R11-A14 VanDerWaalsContact O-CB 3.23Å; R11-A14 WeakPolarHBondContact O-CB 3.32Å; R11-A14 PolarHBondContact O-N 2.81Å; R11-A14 VanDerWaalsContact O-N 3.12Å; A14-K16 PolarHBondContact O-N 3.32Å; A14-W18 HydrophobicContact CB-CE3 3.87Å; A14-W18 HydrophobicContact CB-CZ3 4.03Å; A14-L20 HydrophobicContact CB-CD1 3.93Å; A14-A28 HydrophobicContact CB-CB 3.76Å
15P96.4Very high94.8Very high9 Ų991 Ų916%0.05845%0.454CS..  trans-54.1126.2173.1-26.635.4000112.4H17 W18 L38 R39P15-H17 WeakPolarHBondContact CB-CE1 3.42Å; P15-H17 WeakPolarHBondContact CB-ND1 3.31Å; P15-H17 PolarHBondContact O-N 2.94Å; P15-H17 VanDerWaalsContact O-N 3.14Å; P15-W18 HydrophobicContact CB-CD2 4.12Å; P15-W18 HydrophobicContact CB-CG 4.27Å; P15-W18 HydrophobicContact CB-CZ2 4.38Å; P15-W18 HydrophobicContact CG-CD2 4.07Å; P15-W18 HydrophobicContact CG-CE3 4.4Å; P15-W18 HydrophobicContact CG-CH2 3.92Å; P15-W18 HydrophobicContact CG-CZ2 3.59Å; P15-W18 HydrophobicContact CG-CZ3 4.34Å; P15-W18 WeakPolarHBondContact O-CB 3.18Å; P15-W18 PolarHBondContact O-N 3.43Å; P15-L38 HydrophobicContact CG-CD2 4.4Å; P15-R39 HydrophobicContact CG-CG 4.47Å
16K95.7Very high95Very high205 Ų20589.6 Ų89.689%0.89145%0.446SS*.G310 helixtrans-56.2-33.6-177-68.5-176.6176.8-179.50113.1A14 W18 M19A14-K16 PolarHBondContact O-N 3.32Å; K16-W18 PolarHBondContact O-N 2.9Å; K16-M19 PolarHBondContact O-N 3.41Å; K16-M19 VanDerWaalsContact O-N 3.13Å
17H95.4Very high95.2Very high32 Ų3285.9 Ų85.915%0.14844%0.435CS..G310 helixtrans-69.1-11.5-17971.7-92.1000113.9P15 M19 R39 R51 G107 F109P15-H17 WeakPolarHBondContact CB-CE1 3.42Å; P15-H17 WeakPolarHBondContact CB-ND1 3.31Å; P15-H17 PolarHBondContact O-N 2.94Å; P15-H17 VanDerWaalsContact O-N 3.14Å; H17-M19 PolarHBondContact O-N 2.94Å; H17-R39 PolarHBondContact CE1-O 3.31Å; H17-R51 PolarHBondContact O-NH2 2.75Å; H17-G107 WeakPolarHBondContact CB-O 3.04Å; H17-F109 AromaticContact CD2-CD2 3.71Å; H17-F109 AromaticContact CD2-CE2 3.93Å; H17-F109 AromaticContact NE2-CD2 3.81Å; H17-F109 AromaticContact NE2-CE2 3.6Å
18W96.1Very high95.3Very high0 Ų078 Ų780%040%0.402CS..G310 helixtrans-70.5-20.4171.5-67.7-6000112.9L9 A14 P15 K16 L20 A28 P29 P31 C41 P43 L46 R51L9-W18 HydrophobicContact CD2-CH2 3.91Å; L9-W18 HydrophobicContact CD2-CZ3 3.73Å; A14-W18 HydrophobicContact CB-CE3 3.87Å; A14-W18 HydrophobicContact CB-CZ3 4.03Å; P15-W18 HydrophobicContact CB-CD2 4.12Å; P15-W18 HydrophobicContact CB-CG 4.27Å; P15-W18 HydrophobicContact CB-CZ2 4.38Å; P15-W18 HydrophobicContact CG-CD2 4.07Å; P15-W18 HydrophobicContact CG-CE3 4.4Å; P15-W18 HydrophobicContact CG-CH2 3.92Å; P15-W18 HydrophobicContact CG-CZ2 3.59Å; P15-W18 HydrophobicContact CG-CZ3 4.34Å; P15-W18 WeakPolarHBondContact O-CB 3.18Å; P15-W18 PolarHBondContact O-N 3.43Å; K16-W18 PolarHBondContact O-N 2.9Å; W18-L20 VanDerWaalsContact C-N 3.29Å; W18-L20 HydrophobicContact CB-CG 4.09Å; W18-L20 HydrophobicContact CE3-CD1 4.01Å; W18-L20 PolarHBondContact O-N 2.92Å; W18-A28 HydrophobicContact CZ3-CB 4.47Å; W18-P29 WeakPolarHBondContact CZ3-O 3.25Å; W18-P31 HydrophobicContact CH2-CG 3.59Å; W18-P31 HydrophobicContact CZ2-CG 3.8Å; W18-C41 PolarHBondContact NE1-O 3.28Å; W18-P43 HydrophobicContact CH2-CG 4.04Å; W18-P43 HydrophobicContact CZ2-CG 4.01Å; W18-L46 HydrophobicContact CB-CD1 3.91Å; W18-L46 HydrophobicContact CD2-CD1 3.54Å; W18-L46 HydrophobicContact CE3-CD1 3.54Å; W18-L46 HydrophobicContact CG-CD1 3.7Å; W18-L46 HydrophobicContact CZ3-CD1 4.29Å; W18-R51 PolarHBondContact O-NH1 3.47Å; W18-R51 PolarHBondContact O-NH2 3.22Å
19M94.5Very high95.4Very high87 Ų8772.2 Ų72.243%0.42938%0.377SS..  trans55.644.4-177.2-55.9-177.6-75.600112K16 H17 R108K16-M19 PolarHBondContact O-N 3.41Å; K16-M19 VanDerWaalsContact O-N 3.13Å; H17-M19 PolarHBondContact O-N 2.94Å; M19-R108 WeakPolarHBondContact SD-CD 3.46Å; M19-R108 PolarHBondContact SD-NH1 3.15Å
20L95.2Very high95.4Very high32 Ų3275.5 Ų75.517%0.16839%0.388CS..  trans-75.4132.5168.9-63.1-177.2000108.9R11 A14 W18 A28 L46R11-L20 HydrophobicContact CG-CB 4.29Å; R11-L20 HydrophobicContact CG-CD1 4.29Å; A14-L20 HydrophobicContact CB-CD1 3.93Å; W18-L20 VanDerWaalsContact C-N 3.29Å; W18-L20 HydrophobicContact CB-CG 4.09Å; W18-L20 HydrophobicContact CE3-CD1 4.01Å; W18-L20 PolarHBondContact O-N 2.92Å; L20-A28 HydrophobicContact CD1-CB 3.58Å; L20-L46 HydrophobicContact CD2-CD1 4.29Å; L20-L46 HydrophobicContact CD2-CD2 3.71Å
21D94.8Very high95.4Very high70 Ų7070.8 Ų70.837%0.37437%0.369SS..  trans-65.616516969.2-73.6000110.5R11 L23 S24R11-D21 VanDerWaalsContact CD-O 3.26Å; R11-D21 WeakPolarHBondContact CD-O 3.3Å; R11-D21 IonicContact CZ-OD1 3.83Å; R11-D21 PolarHBondContact NE-O 2.91Å; R11-D21 IonicContact NE-OD1 3.94Å; R11-D21 IonicContact NH2-OD1 3.6Å; R11-D21 PolarHBondContact NH2-OD1 2.88Å; R11-D21 IonicContact NH2-OD2 2.73Å; D21-L23 PolarHBondContact OD2-N 2.78Å; D21-L23 VanDerWaalsContact OD2-N 3.14Å; D21-S24 PolarHBondContact OD1-OG 3.16Å; D21-S24 WeakPolarHBondContact OD2-CB 3.33Å; D21-S24 PolarHBondContact OD2-N 2.71Å; D21-S24 PolarHBondContact OD2-OG 2.85Å
22K93.8Very high95.5Very high169 Ų16971.8 Ų71.874%0.73538%0.379SS*.SBendtrans-87.6-21.6-173.7-63.9-179.5-178.2177.70113.9
23L94.6Very high95.5Very high168 Ų16872 Ų7288%0.8839%0.39SS*.SBendtrans-112.5-24.1-159.3-61.9177.9000113.9D21 G25D21-L23 PolarHBondContact OD2-N 2.78Å; D21-L23 VanDerWaalsContact OD2-N 3.14Å; L23-G25 PolarHBondContact O-N 2.89Å
24S91.6Very high95.5Very high83 Ų8368.9 Ų68.958%0.5838%0.384SS*.SBendtrans-739.4-174.596.20000114.4R11 D21R11-S24 VanDerWaalsContact CZ-OG 3.31Å; R11-S24 PolarHBondContact NH2-OG 3.42Å; D21-S24 PolarHBondContact OD1-OG 3.16Å; D21-S24 WeakPolarHBondContact OD2-CB 3.33Å; D21-S24 PolarHBondContact OD2-N 2.71Å; D21-S24 PolarHBondContact OD2-OG 2.85Å
25G92.2Very high95.5Very high31 Ų3170.2 Ų70.232%0.3239%0.392SS..  trans159.2154.9176.600000114.5R11 L23R11-G25 WeakPolarHBondContact CD-O 3.5Å; L23-G25 PolarHBondContact O-N 2.89Å
26C96.1Very high95.5Very high93 Ų9370.5 Ų70.563%0.62839%0.392SS*.SBendtrans-75.5-25.1-177.6-62.70000113.9R11R11-C26 PolarHBondContact N-O 2.97Å
27F97Very high95.5Very high103 Ų10365.9 Ų65.945%0.45237%0.372SS..EExtended strand (participates in β ladder)trans-115.9153.9-172.7-62.7-82.7000112.1H8 K10 R11H8-F27 HydrophobicContact CB-CD1 4.32Å; H8-F27 HydrophobicContact CB-CE1 4.14Å; K10-F27 HydrophobicContact CD-CD1 4.13Å; K10-F27 HydrophobicContact CD-CE1 3.93Å; R11-F27 PolarHBondContact NH1-O 2.81Å
28A96.7Very high95.6Very high9 Ų967 Ų677%0.07438%0.379CS..EExtended strand (participates in β ladder)trans-112.4152.9168.400000109.4L9 A14 W18 L20 R30L9-A28 HydrophobicContact CD2-CB 4.19Å; L9-A28 HydrophobicContact CG-CB 4.27Å; L9-A28 PolarHBondContact O-N 3.41Å; A14-A28 HydrophobicContact CB-CB 3.76Å; W18-A28 HydrophobicContact CZ3-CB 4.47Å; L20-A28 HydrophobicContact CD1-CB 3.58Å; A28-R30 PolarHBondContact O-N 3.21Å; A28-R30 VanDerWaalsContact O-N 3.07Å
29P96.4Very high95.5Very high16 Ų1675.6 Ų75.610%0.10441%0.411CS..PPolyproline II helixtrans-60.1116.817225.6-32.7000108.9W18 P31 P43 I45 L46 T81W18-P29 WeakPolarHBondContact CZ3-O 3.25Å; P29-P31 WeakPolarHBondContact O-CD 3.41Å; P29-P43 HydrophobicContact CB-CB 4.47Å; P29-I45 HydrophobicContact CB-CG2 3.52Å; P29-I45 HydrophobicContact CG-CG2 3.69Å; P29-L46 HydrophobicContact CG-CD1 4.04Å; P29-L46 HydrophobicContact CG-CD2 3.65Å; P29-L46 HydrophobicContact CG-CG 3.75Å; P29-T81 HydrophobicContact CB-CG2 4.09Å
30R96.9Very high95.5Very high85 Ų8574.8 Ų74.832%0.32141%0.406SS..PPolyproline II helixtrans-80.1120.9175.3-174.5-180-179.995.74.7107.5R6 K7 H8 L9 A28 L38 T81R6-R30 PolarHBondContact O-NE 3.44Å; R6-R30 PolarHBondContact O-NH1 3.06Å; R6-R30 PolarHBondContact O-NH2 2.81Å; R6-R30 VanDerWaalsContact O-NH2 3.14Å; K7-R30 VanDerWaalsContact C-CD 3.43Å; K7-R30 WeakPolarHBondContact O-CD 3.34Å; H8-R30 PolarHBondContact O-NH1 3.26Å; L9-R30 HydrophobicContact CB-CB 3.86Å; L9-R30 HydrophobicContact CB-CG 4.15Å; A28-R30 PolarHBondContact O-N 3.21Å; A28-R30 VanDerWaalsContact O-N 3.07Å; R30-L38 HydrophobicContact CG-CD1 4.49Å; R30-T81 WeakPolarHBondContact O-CB 3.27Å; R30-T81 WeakPolarHBondContact O-CG2 3.49Å
31P97.7Very high95.6Very high11 Ų1173.2 Ų73.27%0.07140%0.398CS..PPolyproline II helixtrans-62.3140.6178.1-13.224000110.4W18 P29 L38 P43 T81 P83W18-P31 HydrophobicContact CH2-CG 3.59Å; W18-P31 HydrophobicContact CZ2-CG 3.8Å; P29-P31 WeakPolarHBondContact O-CD 3.41Å; P31-L38 HydrophobicContact CG-CG 4Å; P31-P43 HydrophobicContact CB-CG 4.12Å; P31-P43 HydrophobicContact CG-CG 3.73Å; P31-T81 WeakPolarHBondContact CA-O 3.45Å; P31-P83 HydrophobicContact CB-CB 4.08Å
32S96.6Very high95.7Very high42 Ų4269.9 Ų69.929%0.29438%0.38SS..PPolyproline II helixtrans-62.9158.3169.5-62.20000110.8G34 D79 T81 P83S32-G34 PolarHBondContact O-N 3.38Å; S32-D79 WeakPolarHBondContact CB-OD2 3.2Å; S32-D79 PolarHBondContact OG-OD2 3.26Å; S32-T81 PolarHBondContact N-O 3.04Å; S32-T81 PolarHBondContact OG-OG1 3.38Å; S32-T81 VanDerWaalsContact OG-OG1 3.13Å; S32-P83 WeakPolarHBondContact O-CG 3.35Å
33C96Very high95.8Very high142 Ų14261.9 Ų61.996%0.95935%0.346SS*.SBendtrans-66.4123.7167.7-640000108.6
34G95.2Very high95.9Very high45 Ų4553.9 Ų53.946%0.46430%0.304SS..SBendtrans-163.6-158.4-175.800000112.2S32 H36S32-G34 PolarHBondContact O-N 3.38Å; G34-H36 VanDerWaalsContact C-N 3.32Å; G34-H36 PolarHBondContact O-N 3.27Å
35P96.3Very high96.2Very high42 Ų4249.9 Ų49.927%0.27328%0.276SS..SBendtrans-54.9-40.7-174-33.941.2000115.2Y82 D143P35-Y82 WeakPolarHBondContact CG-OH 3.37Å; P35-D143 HydrophobicContact CB-CB 4.24Å; P35-D143 VanDerWaalsContact CB-O 3.26Å; P35-D143 WeakPolarHBondContact CB-O 3.18Å
36H97.1Very high96.4Very high16 Ų1648.4 Ų48.47%0.07426%0.261CS..SBendtrans-112.7150.9-171.1-62.3-82.5000111.7G34 C41 P83 G85 F86 D88 H142G34-H36 VanDerWaalsContact C-N 3.32Å; G34-H36 PolarHBondContact O-N 3.27Å; H36-C41 HydrophobicContact CB-CB 3.84Å; H36-P83 PolarHBondContact CD2-O 2.62Å; H36-G85 WeakPolarHBondContact CD2-CA 3.49Å; H36-G85 PolarHBondContact CD2-N 2.83Å; H36-F86 PolarHBondContact CE1-O 3.3Å; H36-D88 IonicContact CD2-OD2 3.16Å; H36-D88 PolarHBondContact CD2-OD2 3.19Å; H36-D88 VanDerWaalsContact CD2-OD2 3.24Å; H36-D88 IonicContact CE1-OD1 2.85Å; H36-D88 VanDerWaalsContact NE2-CG 3.26Å; H36-D88 IonicContact NE2-OD1 3.55Å; H36-D88 PolarHBondContact NE2-OD1 3.04Å; H36-D88 IonicContact NE2-OD2 3.75Å; H36-D88 PolarHBondContact NE2-OD2 2.98Å; H36-H142 AromaticContact CE1-NE2 3.9Å
37K96Very high96.4Very high108 Ų10844 Ų4447%0.4723%0.231SC..  trans-68.4151.6-178.5-58.4-175-153.3132.50111.4R39 E40 C41K37-R39 PolarHBondContact O-N 3.3Å; K37-E40 HydrophobicContact CB-CB 4.27Å; K37-E40 VanDerWaalsContact CD-OE2 3.27Å; K37-E40 WeakPolarHBondContact CD-OE2 3.44Å; K37-E40 WeakPolarHBondContact CE-OE2 3.23Å; K37-E40 IonicContact NZ-OE1 3.77Å; K37-E40 PolarHBondContact NZ-OE1 3.19Å; K37-E40 VanDerWaalsContact NZ-OE1 3.08Å; K37-E40 IonicContact NZ-OE2 3.7Å; K37-E40 PolarHBondContact NZ-OE2 3.48Å; K37-E40 CarbonylContact O-C 3.42Å; K37-E40 PolarHBondContact O-N 3.36Å; K37-C41 WeakPolarHBondContact O-CB 3.42Å; K37-C41 PolarHBondContact O-N 3.42Å; K37-C41 PolarHBondContact O-SG 2.96Å
38L96.1Very high96.3Very high54 Ų5439.2 Ų39.228%0.28321%0.21SC..THydrogen-bonded Turntrans-50.5-37.7178.8-176.5152.6000114P15 R30 P31 C41P15-L38 HydrophobicContact CG-CD2 4.4Å; R30-L38 HydrophobicContact CG-CD1 4.49Å; P31-L38 HydrophobicContact CG-CG 4Å; L38-C41 PolarHBondContact O-SG 2.71Å
39R95.4Very high96.3Very high182 Ų18241.2 Ų41.269%0.68722%0.215SC*.THydrogen-bonded Turntrans-91-2.9-179.3-66.5-172.7178.6-107.72.8114.4P15 H17 K37P15-R39 HydrophobicContact CG-CG 4.47Å; H17-R39 PolarHBondContact CE1-O 3.31Å; K37-R39 PolarHBondContact O-N 3.3Å
40E94Very high96.3Very high69 Ų6942.6 Ų42.632%0.32222%0.222SC..SBendtrans-127.125.5-175.8-62168.6177.900110.6K37 F109K37-E40 HydrophobicContact CB-CB 4.27Å; K37-E40 VanDerWaalsContact CD-OE2 3.27Å; K37-E40 WeakPolarHBondContact CD-OE2 3.44Å; K37-E40 WeakPolarHBondContact CE-OE2 3.23Å; K37-E40 IonicContact NZ-OE1 3.77Å; K37-E40 PolarHBondContact NZ-OE1 3.19Å; K37-E40 VanDerWaalsContact NZ-OE1 3.08Å; K37-E40 IonicContact NZ-OE2 3.7Å; K37-E40 PolarHBondContact NZ-OE2 3.48Å; K37-E40 CarbonylContact O-C 3.42Å; K37-E40 PolarHBondContact O-N 3.36Å; E40-F109 WeakPolarHBondContact O-CZ 3.36Å
41C96.6Very high96.2Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-135.8165.4-179.968.90000111.4W18 H36 K37 L38 P83 A84W18-C41 PolarHBondContact NE1-O 3.28Å; H36-C41 HydrophobicContact CB-CB 3.84Å; K37-C41 WeakPolarHBondContact O-CB 3.42Å; K37-C41 PolarHBondContact O-N 3.42Å; K37-C41 PolarHBondContact O-SG 2.96Å; L38-C41 PolarHBondContact O-SG 2.71Å; C41-P83 HydrophobicContact CB-CB 3.71Å; C41-A84 CarbonylContact C-O 3.45Å; C41-A84 WeakPolarHBondContact CA-O 3.24Å; C41-A84 WeakPolarHBondContact CB-O 3.34Å
42L96.5Very high96Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-122110.4171.1-174.570000108.3L44 L46 F47 R51 A84 L101 F109L42-L44 PolarHBondContact O-N 3.14Å; L42-L46 HydrophobicContact CD1-CB 3.71Å; L42-L46 HydrophobicContact CD1-CD1 4.25Å; L42-L46 HydrophobicContact CG-CB 4.27Å; L42-F47 HydrophobicContact CD2-CB 4.01Å; L42-F47 HydrophobicContact CD2-CD2 4.1Å; L42-R51 HydrophobicContact CD2-CG 4.42Å; L42-A84 PolarHBondContact N-O 2.99Å; L42-A84 PolarHBondContact O-N 3.2Å; L42-L101 HydrophobicContact CD2-CD2 4.32Å; L42-F109 HydrophobicContact CB-CD2 3.92Å; L42-F109 HydrophobicContact CB-CE2 4.34Å; L42-F109 HydrophobicContact CB-CG 4.39Å; L42-F109 HydrophobicContact CD2-CB 4.32Å
43P97.6Very high96Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-52138.5170.3-30.937000112.3W18 P29 P31 I45 L46 F47 Y82W18-P43 HydrophobicContact CH2-CG 4.04Å; W18-P43 HydrophobicContact CZ2-CG 4.01Å; P29-P43 HydrophobicContact CB-CB 4.47Å; P31-P43 HydrophobicContact CB-CG 4.12Å; P31-P43 HydrophobicContact CG-CG 3.73Å; P43-I45 HydrophobicContact CB-CG2 3.84Å; P43-I45 PolarHBondContact O-N 2.84Å; P43-I45 VanDerWaalsContact O-N 3.14Å; P43-L46 HydrophobicContact CB-CG 4.32Å; P43-L46 HydrophobicContact CG-CD1 4.37Å; P43-L46 WeakPolarHBondContact O-CB 3.31Å; P43-L46 PolarHBondContact O-N 2.83Å; P43-F47 PolarHBondContact O-N 2.98Å; P43-Y82 WeakPolarHBondContact CA-O 3.38Å
44L97.1Very high95.9Very high0 Ų045.5 Ų45.50%021%0.212CC..Hα-helixtrans-57-32.1-178.3-70.7-178.2000113.6L42 L46 F47 I48 M65 V72 R77 I80 Y82 A84 I90L42-L44 PolarHBondContact O-N 3.14Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.94Å; L44-F47 WeakPolarHBondContact O-CB 3.11Å; L44-F47 PolarHBondContact O-N 2.82Å; L44-I48 WeakPolarHBondContact O-CG1 3.3Å; L44-I48 PolarHBondContact O-N 2.78Å; L44-M65 HydrophobicContact CB-CE 4.11Å; L44-M65 HydrophobicContact CB-SD 4.39Å; L44-M65 HydrophobicContact CD1-CE 3.35Å; L44-M65 HydrophobicContact CD1-SD 4.37Å; L44-M65 HydrophobicContact CG-CE 4.37Å; L44-V72 HydrophobicContact CD1-CG2 3.92Å; L44-V72 HydrophobicContact CD2-CG2 3.93Å; L44-R77 HydrophobicContact CD1-CB 3.9Å; L44-I80 PolarHBondContact N-O 3.44Å; L44-Y82 HydrophobicContact CD1-CD1 4.09Å; L44-Y82 HydrophobicContact CD1-CG 4.28Å; L44-Y82 HydrophobicContact CG-CD1 4.34Å; L44-Y82 PolarHBondContact N-O 2.58Å; L44-A84 HydrophobicContact CD2-CB 3.87Å; L44-I90 HydrophobicContact CD2-CD1 4.03Å
45I97Very high95.9Very high0 Ų043.4 Ų43.40%019%0.191CC..Hα-helixtrans-57.4-41.7170.2-176.1164.8000113.8P29 P43 F47 I48 R49 Y58 A61 I80P29-I45 HydrophobicContact CB-CG2 3.52Å; P29-I45 HydrophobicContact CG-CG2 3.69Å; P43-I45 HydrophobicContact CB-CG2 3.84Å; P43-I45 PolarHBondContact O-N 2.84Å; P43-I45 VanDerWaalsContact O-N 3.14Å; I45-F47 VanDerWaalsContact C-N 3.29Å; I45-I48 PolarHBondContact O-N 2.86Å; I45-R49 HydrophobicContact CG1-CB 4.49Å; I45-R49 WeakPolarHBondContact O-CB 3.37Å; I45-R49 PolarHBondContact O-N 2.81Å; I45-Y58 HydrophobicContact CD1-CD2 3.05Å; I45-Y58 HydrophobicContact CD1-CE2 3.38Å; I45-Y58 HydrophobicContact CD1-CG 3.83Å; I45-A61 HydrophobicContact CD1-CB 4.46Å; I45-A61 HydrophobicContact CG1-CB 4.05Å; I45-I80 HydrophobicContact CB-CG2 3.51Å; I45-I80 HydrophobicContact CD1-CG2 3.98Å; I45-I80 HydrophobicContact CG1-CG2 4.14Å; I45-I80 HydrophobicContact CG2-CG2 4.19Å; I45-I80 PolarHBondContact N-O 2.93Å
46L96.5Very high95.9Very high0 Ų048.2 Ų48.20%021%0.213CC..Iπ-helixtrans-71.8-31.5179.7-62.6-171.3000110.9W18 L20 P29 L42 P43 L44 N50 R51W18-L46 HydrophobicContact CB-CD1 3.91Å; W18-L46 HydrophobicContact CD2-CD1 3.54Å; W18-L46 HydrophobicContact CE3-CD1 3.54Å; W18-L46 HydrophobicContact CG-CD1 3.7Å; W18-L46 HydrophobicContact CZ3-CD1 4.29Å; L20-L46 HydrophobicContact CD2-CD1 4.29Å; L20-L46 HydrophobicContact CD2-CD2 3.71Å; P29-L46 HydrophobicContact CG-CD1 4.04Å; P29-L46 HydrophobicContact CG-CD2 3.65Å; P29-L46 HydrophobicContact CG-CG 3.75Å; L42-L46 HydrophobicContact CD1-CB 3.71Å; L42-L46 HydrophobicContact CD1-CD1 4.25Å; L42-L46 HydrophobicContact CG-CB 4.27Å; P43-L46 HydrophobicContact CB-CG 4.32Å; P43-L46 HydrophobicContact CG-CD1 4.37Å; P43-L46 WeakPolarHBondContact O-CB 3.31Å; P43-L46 PolarHBondContact O-N 2.83Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.94Å; L46-N50 WeakPolarHBondContact O-CA 3.48Å; L46-N50 VanDerWaalsContact O-CB 3.31Å; L46-N50 WeakPolarHBondContact O-CB 3.45Å; L46-N50 PolarHBondContact O-N 3.01Å; L46-R51 PolarHBondContact O-N 2.8Å; L46-R51 VanDerWaalsContact O-N 3.11Å
47F96Very high95.8Very high1 Ų150.5 Ų50.50%0.00423%0.229CC..Iπ-helixtrans-63.8-53.6172-177.6-100.4000111.4L42 P43 L44 I45 R51 L52 I90 F99 L101 V111L42-F47 HydrophobicContact CD2-CB 4.01Å; L42-F47 HydrophobicContact CD2-CD2 4.1Å; P43-F47 PolarHBondContact O-N 2.98Å; L44-F47 WeakPolarHBondContact O-CB 3.11Å; L44-F47 PolarHBondContact O-N 2.82Å; I45-F47 VanDerWaalsContact C-N 3.29Å; F47-R51 WeakPolarHBondContact O-CB 3.49Å; F47-R51 PolarHBondContact O-N 3.36Å; F47-L52 HydrophobicContact CD1-CD1 3.98Å; F47-L52 HydrophobicContact CE1-CD1 3.35Å; F47-L52 HydrophobicContact CE1-CG 4.14Å; F47-L52 HydrophobicContact CZ-CD1 3.73Å; F47-L52 HydrophobicContact CZ-CG 4.22Å; F47-L52 PolarHBondContact O-N 2.98Å; F47-I90 HydrophobicContact CD1-CD1 4.06Å; F47-I90 HydrophobicContact CD1-CG2 4.29Å; F47-I90 HydrophobicContact CD2-CD1 3.93Å; F47-I90 HydrophobicContact CE1-CB 4.27Å; F47-I90 HydrophobicContact CE1-CD1 4.02Å; F47-I90 HydrophobicContact CE1-CG2 3.66Å; F47-I90 HydrophobicContact CE2-CD1 3.87Å; F47-I90 HydrophobicContact CG-CD1 4.02Å; F47-I90 HydrophobicContact CZ-CB 4.19Å; F47-I90 HydrophobicContact CZ-CD1 3.92Å; F47-I90 HydrophobicContact CZ-CG2 4.09Å; F47-F99 HydrophobicContact CE1-CD2 4.36Å; F47-F99 HydrophobicContact CE2-CB 4.42Å; F47-F99 HydrophobicContact CZ-CB 3.97Å; F47-F99 AromaticContact CZ-CD2 3.75Å; F47-F99 HydrophobicContact CZ-CD2 3.75Å; F47-F99 HydrophobicContact CZ-CE2 4.28Å; F47-F99 AromaticContact CZ-CG 3.83Å; F47-F99 HydrophobicContact CZ-CG 3.83Å; F47-L101 HydrophobicContact CD2-CD2 4.04Å; F47-L101 HydrophobicContact CE2-CD2 4Å; F47-V111 HydrophobicContact CD2-CG2 3.81Å; F47-V111 HydrophobicContact CE2-CB 4.15Å; F47-V111 HydrophobicContact CE2-CG1 3.55Å; F47-V111 HydrophobicContact CE2-CG2 3.56Å; F47-V111 HydrophobicContact CZ-CG1 3.95Å
48I95.7Very high95.8Very high2 Ų250.3 Ų50.31%0.0123%0.226CC..Iπ-helixtrans-69.3-47.9-176.2-64.2170.9000111.9L44 I45 K53 Y54 A55 I64 M65 V70L44-I48 WeakPolarHBondContact O-CG1 3.3Å; L44-I48 PolarHBondContact O-N 2.78Å; I45-I48 PolarHBondContact O-N 2.86Å; I48-K53 PolarHBondContact O-N 3.07Å; I48-Y54 PolarHBondContact O-N 3.33Å; I48-Y54 VanDerWaalsContact O-N 3.08Å; I48-A55 HydrophobicContact CG2-CB 3.96Å; I48-I64 HydrophobicContact CD1-CG2 4.42Å; I48-I64 HydrophobicContact CG2-CD1 3.98Å; I48-M65 HydrophobicContact CD1-CG 3.84Å; I48-M65 HydrophobicContact CD1-SD 3.29Å; I48-M65 WeakPolarHBondContact CD1-SD 3.35Å; I48-V70 HydrophobicContact CD1-CG2 4.16Å
49R95.8Very high95.8Very high50 Ų5052.6 Ų52.619%0.18924%0.238CC..Iπ-helixtrans-82.8-52.3-173.8-169.1-171.564.7-175.4-1.4112.8I45 K53 A55 L56I45-R49 HydrophobicContact CG1-CB 4.49Å; I45-R49 WeakPolarHBondContact O-CB 3.37Å; I45-R49 PolarHBondContact O-N 2.81Å; R49-K53 WeakPolarHBondContact O-CA 3.25Å; R49-A55 WeakPolarHBondContact CA-O 3.39Å; R49-A55 HydrophobicContact CB-CB 4.36Å; R49-A55 VanDerWaalsContact CG-O 3.27Å; R49-A55 WeakPolarHBondContact CG-O 3.24Å; R49-L56 WeakPolarHBondContact CD-O 3.29Å
50N95.4Very high95.9Very high46 Ų4647 Ų4725%0.24622%0.22CC..Iπ-helixtrans-89.9-26.7-170-70.364.6000113.7L46L46-N50 WeakPolarHBondContact O-CA 3.48Å; L46-N50 VanDerWaalsContact O-CB 3.31Å; L46-N50 WeakPolarHBondContact O-CB 3.45Å; L46-N50 PolarHBondContact O-N 3.01Å
51R94.8Very high96Very high51 Ų5143.8 Ų43.819%0.19221%0.205CC..Iπ-helixtrans-98.1-55.8180-60.5-68.3-177.4-88.5-5.2112.1H17 W18 L42 L46 F47 V111H17-R51 PolarHBondContact O-NH2 2.75Å; W18-R51 PolarHBondContact O-NH1 3.47Å; W18-R51 PolarHBondContact O-NH2 3.22Å; L42-R51 HydrophobicContact CD2-CG 4.42Å; L46-R51 PolarHBondContact O-N 2.8Å; L46-R51 VanDerWaalsContact O-N 3.11Å; F47-R51 WeakPolarHBondContact O-CB 3.49Å; F47-R51 PolarHBondContact O-N 3.36Å; R51-V111 HydrophobicContact CB-CG2 3.67Å; R51-V111 HydrophobicContact CG-CG2 3.91Å
52L95Very high96Very high31 Ų3148.4 Ų48.416%0.16223%0.225CC..Iπ-helixtrans-83.5-23.2-178.3-65.3-176.7000113.9F47 Y54 I92 F99 V111F47-L52 HydrophobicContact CD1-CD1 3.98Å; F47-L52 HydrophobicContact CE1-CD1 3.35Å; F47-L52 HydrophobicContact CE1-CG 4.14Å; F47-L52 HydrophobicContact CZ-CD1 3.73Å; F47-L52 HydrophobicContact CZ-CG 4.22Å; F47-L52 PolarHBondContact O-N 2.98Å; L52-Y54 HydrophobicContact CB-CD1 4.35Å; L52-Y54 HydrophobicContact CB-CD2 4.01Å; L52-Y54 HydrophobicContact CB-CE2 4.17Å; L52-Y54 HydrophobicContact CB-CG 4.11Å; L52-Y54 HydrophobicContact CD1-CD2 3.97Å; L52-Y54 HydrophobicContact CD1-CE2 3.72Å; L52-Y54 HydrophobicContact CG-CE2 4.49Å; L52-Y54 PolarHBondContact O-N 2.5Å; L52-I92 HydrophobicContact CD1-CD1 3.73Å; L52-F99 HydrophobicContact CD1-CE2 3.96Å; L52-F99 HydrophobicContact CD1-CZ 4Å; L52-F99 HydrophobicContact CD2-CE1 3.83Å; L52-F99 HydrophobicContact CD2-CE2 4.36Å; L52-F99 HydrophobicContact CD2-CZ 3.6Å; L52-F99 HydrophobicContact CG-CZ 4.48Å; L52-V111 HydrophobicContact CD2-CG1 3.92Å
53K95.1Very high96Very high164 Ų16455.2 Ų55.271%0.71326%0.255SS*.  trans59.828.1-177.6-54.3179.2174.5-176.50114I48 R49 A55I48-K53 PolarHBondContact O-N 3.07Å; R49-K53 WeakPolarHBondContact O-CA 3.25Å; K53-A55 VanDerWaalsContact C-N 3.32Å
54Y94.9Very high95.9Very high94 Ų9457.2 Ų57.237%0.36927%0.265SS..SBendtrans-77.5-20.3173.6-66.3-19.9000113.2I48 L52 I92 E97I48-Y54 PolarHBondContact O-N 3.33Å; I48-Y54 VanDerWaalsContact O-N 3.08Å; L52-Y54 HydrophobicContact CB-CD1 4.35Å; L52-Y54 HydrophobicContact CB-CD2 4.01Å; L52-Y54 HydrophobicContact CB-CE2 4.17Å; L52-Y54 HydrophobicContact CB-CG 4.11Å; L52-Y54 HydrophobicContact CD1-CD2 3.97Å; L52-Y54 HydrophobicContact CD1-CE2 3.72Å; L52-Y54 HydrophobicContact CG-CE2 4.49Å; L52-Y54 PolarHBondContact O-N 2.5Å; Y54-I92 HydrophobicContact CD2-CD1 4.07Å; Y54-I92 HydrophobicContact CE2-CD1 3.63Å; Y54-E97 PolarHBondContact OH-OE2 2.81Å
55A95.7Very high95.9Very high2 Ų257.2 Ų57.22%0.01727%0.265CS..  trans-119.2144.5169.600000109.1I48 R49 K53 E60 A61 I64I48-A55 HydrophobicContact CG2-CB 3.96Å; R49-A55 WeakPolarHBondContact CA-O 3.39Å; R49-A55 HydrophobicContact CB-CB 4.36Å; R49-A55 VanDerWaalsContact CG-O 3.27Å; R49-A55 WeakPolarHBondContact CG-O 3.24Å; K53-A55 VanDerWaalsContact C-N 3.32Å; A55-E60 HydrophobicContact CB-CB 3.85Å; A55-A61 HydrophobicContact CB-CB 3.89Å; A55-I64 HydrophobicContact CB-CD1 4.14Å
56L95.9Very high95.8Very high142 Ų14261.5 Ų61.574%0.74329%0.288SS*.SBendtrans-92-41.3171.1-56.6177.5000110.4R49 E60R49-L56 WeakPolarHBondContact CD-O 3.29Å; L56-E60 WeakPolarHBondContact CB-OE2 3.48Å; L56-E60 PolarHBondContact N-OE2 3.04Å
57T95.7Very high95.8Very high64 Ų6466.7 Ų66.739%0.39331%0.312SS..SBendtrans-114.6171.2-173.462.80000113.3E60 A61T57-E60 VanDerWaalsContact OG1-CD 3.23Å; T57-E60 WeakPolarHBondContact OG1-CG 3.38Å; T57-E60 PolarHBondContact OG1-N 2.92Å; T57-E60 PolarHBondContact OG1-OE1 2.87Å; T57-A61 PolarHBondContact O-N 2.76Å
58Y95.5Very high95.8Very high105 Ų10574.6 Ų74.641%0.41234%0.342SS..Hα-helixtrans-63.8-42174.8-174.5-80.6000111.4I45 A61 K62 I80I45-Y58 HydrophobicContact CD1-CD2 3.05Å; I45-Y58 HydrophobicContact CD1-CE2 3.38Å; I45-Y58 HydrophobicContact CD1-CG 3.83Å; Y58-A61 PolarHBondContact O-N 3.03Å; Y58-K62 PolarHBondContact O-N 3.4Å; Y58-I80 HydrophobicContact CE1-CD1 4.24Å
59D96.5Very high95.7Very high101 Ų10176.2 Ų76.254%0.5435%0.35SS..Hα-helixtrans-72.8-31.8-176.4-65.7-41.7000112.7K62 K63D59-K62 WeakPolarHBondContact O-CB 3.31Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-K63 WeakPolarHBondContact O-CG 3.15Å; D59-K63 PolarHBondContact O-N 2.84Å
60E96.8Very high95.7Very high66 Ų6673.9 Ų73.931%0.30834%0.342SS..Hα-helixtrans-64.2-44.7169.6-76.4161.1-130.300111.9A55 L56 T57 K62 K63 I64A55-E60 HydrophobicContact CB-CB 3.85Å; L56-E60 WeakPolarHBondContact CB-OE2 3.48Å; L56-E60 PolarHBondContact N-OE2 3.04Å; T57-E60 VanDerWaalsContact OG1-CD 3.23Å; T57-E60 WeakPolarHBondContact OG1-CG 3.38Å; T57-E60 PolarHBondContact OG1-N 2.92Å; T57-E60 PolarHBondContact OG1-OE1 2.87Å; E60-K62 PolarHBondContact O-N 2.9Å; E60-K63 PolarHBondContact O-N 2.61Å; E60-K63 VanDerWaalsContact O-N 3.12Å; E60-I64 WeakPolarHBondContact O-CG1 3.32Å; E60-I64 PolarHBondContact O-N 3.28Å
61A96.2Very high95.8Very high0 Ų073.7 Ų73.70%034%0.339CS..Hα-helixtrans-59.7-38.8174.700000111I45 A55 T57 Y58 I64 M65I45-A61 HydrophobicContact CD1-CB 4.46Å; I45-A61 HydrophobicContact CG1-CB 4.05Å; A55-A61 HydrophobicContact CB-CB 3.89Å; T57-A61 PolarHBondContact O-N 2.76Å; Y58-A61 PolarHBondContact O-N 3.03Å; A61-I64 PolarHBondContact O-N 2.84Å; A61-M65 WeakPolarHBondContact O-CB 3.38Å; A61-M65 VanDerWaalsContact O-CG 3.23Å; A61-M65 WeakPolarHBondContact O-CG 3.33Å; A61-M65 PolarHBondContact O-N 2.97Å
62K96.4Very high95.9Very high98 Ų9871.3 Ų71.343%0.42633%0.329SS..Hα-helixtrans-60-46.9172.5179.7161.7-175.5-168.30112.5Y58 D59 E60 M65 N66 I80Y58-K62 PolarHBondContact O-N 3.4Å; D59-K62 WeakPolarHBondContact O-CB 3.31Å; D59-K62 PolarHBondContact O-N 3.44Å; E60-K62 PolarHBondContact O-N 2.9Å; K62-M65 PolarHBondContact O-N 2.81Å; K62-N66 WeakPolarHBondContact O-CB 3.5Å; K62-N66 VanDerWaalsContact O-CG 3.28Å; K62-N66 PolarHBondContact O-N 2.83Å; K62-I80 HydrophobicContact CB-CD1 3.42Å; K62-I80 VanDerWaalsContact CB-CD1 3.42Å; K62-I80 HydrophobicContact CB-CG1 4.34Å; K62-I80 HydrophobicContact CD-CD1 3.9Å; K62-I80 HydrophobicContact CG-CD1 3.57Å
63K96.6Very high96Very high143 Ų14370.1 Ų70.162%0.62232%0.324SS*.Hα-helixtrans-59.5-47.1177.8-72.4172.9-176.2179.90111.3D59 E60 M65 N66 Q67D59-K63 WeakPolarHBondContact O-CG 3.15Å; D59-K63 PolarHBondContact O-N 2.84Å; E60-K63 PolarHBondContact O-N 2.61Å; E60-K63 VanDerWaalsContact O-N 3.12Å; K63-M65 PolarHBondContact O-N 2.84Å; K63-N66 PolarHBondContact O-N 2.81Å; K63-Q67 WeakPolarHBondContact O-CG 3.33Å; K63-Q67 PolarHBondContact O-N 3.1Å; K63-Q67 VanDerWaalsContact O-N 3.15Å
64I95.6Very high96Very high41 Ų4165.9 Ų65.921%0.2131%0.309CS..Hα-helixtrans-60.4-46.9178.2-65.5170000111.2I48 A55 E60 A61 N66 Q67 V70I48-I64 HydrophobicContact CD1-CG2 4.42Å; I48-I64 HydrophobicContact CG2-CD1 3.98Å; A55-I64 HydrophobicContact CB-CD1 4.14Å; E60-I64 WeakPolarHBondContact O-CG1 3.32Å; E60-I64 PolarHBondContact O-N 3.28Å; A61-I64 PolarHBondContact O-N 2.84Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.22Å; I64-Q67 PolarHBondContact O-N 2.82Å; I64-V70 HydrophobicContact CG2-CG2 4.34Å
65M95.9Very high96Very high0 Ų067 Ų670%032%0.315CS..Hα-helixtrans-64.4-38.4-180-71-58.9-67.400112.6L44 I48 A61 K62 K63 Q67 R68 V70 R77 I80L44-M65 HydrophobicContact CB-CE 4.11Å; L44-M65 HydrophobicContact CB-SD 4.39Å; L44-M65 HydrophobicContact CD1-CE 3.35Å; L44-M65 HydrophobicContact CD1-SD 4.37Å; L44-M65 HydrophobicContact CG-CE 4.37Å; I48-M65 HydrophobicContact CD1-CG 3.84Å; I48-M65 HydrophobicContact CD1-SD 3.29Å; I48-M65 WeakPolarHBondContact CD1-SD 3.35Å; A61-M65 WeakPolarHBondContact O-CB 3.38Å; A61-M65 VanDerWaalsContact O-CG 3.23Å; A61-M65 WeakPolarHBondContact O-CG 3.33Å; A61-M65 PolarHBondContact O-N 2.97Å; K62-M65 PolarHBondContact O-N 2.81Å; K63-M65 PolarHBondContact O-N 2.84Å; M65-Q67 VanDerWaalsContact C-N 3.3Å; M65-Q67 PolarHBondContact O-N 3.07Å; M65-R68 PolarHBondContact O-N 2.79Å; M65-V70 HydrophobicContact CE-CB 4.43Å; M65-V70 HydrophobicContact SD-CB 3.87Å; M65-V70 HydrophobicContact SD-CG1 4.2Å; M65-V70 HydrophobicContact SD-CG2 3.83Å; M65-R77 HydrophobicContact CE-CB 4.35Å; M65-R77 WeakPolarHBondContact CE-O 3.32Å; M65-I80 HydrophobicContact CB-CG1 4.09Å; M65-I80 HydrophobicContact CG-CG1 4.14Å
66N96Very high96.1Very high90 Ų9069.1 Ų69.148%0.48133%0.328SS..Hα-helixtrans-72.1-21178.9-75.1-10.5000113.6K62 K63 I64 R68K62-N66 WeakPolarHBondContact O-CB 3.5Å; K62-N66 VanDerWaalsContact O-CG 3.28Å; K62-N66 PolarHBondContact O-N 2.83Å; K63-N66 PolarHBondContact O-N 2.81Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.22Å; N66-R68 PolarHBondContact O-N 3.43Å
67Q95.8Very high96.1Very high110 Ų11066 Ų6651%0.51431%0.306SS..THydrogen-bonded Turntrans-71.2-1.3171.2-71.6173.2-9.200113.2K63 I64 M65 L69K63-Q67 WeakPolarHBondContact O-CG 3.33Å; K63-Q67 PolarHBondContact O-N 3.1Å; K63-Q67 VanDerWaalsContact O-N 3.15Å; I64-Q67 PolarHBondContact O-N 2.82Å; M65-Q67 VanDerWaalsContact C-N 3.3Å; M65-Q67 PolarHBondContact O-N 3.07Å; Q67-L69 HydrophobicContact CB-CD1 3.93Å; Q67-L69 HydrophobicContact CB-CG 3.8Å; Q67-L69 PolarHBondContact O-N 3.38Å
68R96.1Very high96.2Very high166 Ų16666.3 Ų66.363%0.62631%0.308SS*.THydrogen-bonded Turntrans62.821.2176.2-60.6-175.879.7-179.43.5114.6M65 N66 V76 T78M65-R68 PolarHBondContact O-N 2.79Å; N66-R68 PolarHBondContact O-N 3.43Å; R68-V76 HydrophobicContact CB-CG1 3.66Å; R68-V76 HydrophobicContact CG-CG1 4.03Å; R68-T78 HydrophobicContact CG-CG2 4.05Å
69L94.4Very high96.2Very high37 Ų3764 Ų6419%0.19430%0.303CS..  trans-82.2-16.6-176.7-58177000114.3Q67 E93 R94Q67-L69 HydrophobicContact CB-CD1 3.93Å; Q67-L69 HydrophobicContact CB-CG 3.8Å; Q67-L69 PolarHBondContact O-N 3.38Å; L69-E93 PolarHBondContact O-N 3.19Å; L69-R94 HydrophobicContact CD1-CB 4.39Å; L69-R94 HydrophobicContact CD2-CB 4.41Å
70V96.5Very high96.2Very high1 Ų159.8 Ų59.81%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-102.7118.2-175.2-177.10000109.8I48 I64 M65 R77 I90I48-V70 HydrophobicContact CD1-CG2 4.16Å; I64-V70 HydrophobicContact CG2-CG2 4.34Å; M65-V70 HydrophobicContact CE-CB 4.43Å; M65-V70 HydrophobicContact SD-CB 3.87Å; M65-V70 HydrophobicContact SD-CG1 4.2Å; M65-V70 HydrophobicContact SD-CG2 3.83Å; V70-R77 PolarHBondContact O-N 2.95Å; V70-R77 VanDerWaalsContact O-N 3.07Å; V70-I90 HydrophobicContact CG1-CG2 4.02Å
71K97.1Very high96.3Very high42 Ų4257.8 Ų57.818%0.18327%0.273CS..EExtended strand (participates in β ladder)trans-106.2135.5173.9-71.1178.9167.7179.40110.1K75 V76 I90 T91 E93K71-K75 CarbonylContact C-O 3.42Å; K71-K75 WeakPolarHBondContact CA-O 3.4Å; K71-V76 HydrophobicContact CD-CG2 4.49Å; K71-V76 HydrophobicContact CG-CG2 3.87Å; K71-I90 CarbonylContact O-C 3.45Å; K71-I90 WeakPolarHBondContact O-CA 2.87Å; K71-T91 PolarHBondContact N-O 3.38Å; K71-T91 PolarHBondContact O-N 3.39Å; K71-E93 HydrophobicContact CD-CG 4.09Å; K71-E93 WeakPolarHBondContact CD-OE1 3.4Å; K71-E93 VanDerWaalsContact CE-CD 3.45Å; K71-E93 WeakPolarHBondContact CE-OE1 3.48Å; K71-E93 IonicContact NZ-OE1 3.32Å; K71-E93 PolarHBondContact NZ-OE1 2.85Å
72V97.1Very high96.3Very high0 Ų058.5 Ų58.50%028%0.276CS..EExtended strand (participates in β ladder)trans-117.2122.7167.8-174.20000107.6L44 N74 K75 R77 Y82 D88 V89 I90L44-V72 HydrophobicContact CD1-CG2 3.92Å; L44-V72 HydrophobicContact CD2-CG2 3.93Å; V72-N74 VanDerWaalsContact C-N 3.33Å; V72-N74 PolarHBondContact O-N 3.07Å; V72-K75 PolarHBondContact N-O 3.07Å; V72-K75 PolarHBondContact O-N 2.87Å; V72-K75 VanDerWaalsContact O-N 3.07Å; V72-R77 HydrophobicContact CB-CG 3.91Å; V72-R77 HydrophobicContact CG2-CB 4.38Å; V72-R77 HydrophobicContact CG2-CG 3.86Å; V72-Y82 HydrophobicContact CB-CE1 4.25Å; V72-Y82 HydrophobicContact CG1-CE1 3.99Å; V72-Y82 HydrophobicContact CG2-CD1 4.42Å; V72-Y82 HydrophobicContact CG2-CE1 4.4Å; V72-D88 HydrophobicContact CG1-CB 4.16Å; V72-V89 CarbonylContact C-O 3.53Å; V72-V89 WeakPolarHBondContact CA-O 3.48Å; V72-I90 HydrophobicContact CG2-CG1 4.31Å
73D96.3Very high96.4Very high7 Ų753.9 Ų53.94%0.03726%0.256CS..THydrogen-bonded Turntrans47.853.5-171.8-59.6-23.2000112.3K75 V89 K122 R145 I164D73-K75 PolarHBondContact O-N 3.28Å; D73-V89 PolarHBondContact N-O 3.25Å; D73-V89 PolarHBondContact OD1-N 3.07Å; D73-V89 VanDerWaalsContact OD1-N 3.1Å; D73-K122 WeakPolarHBondContact OD1-CD 3.48Å; D73-K122 IonicContact OD1-NZ 3.92Å; D73-K122 IonicContact OD2-NZ 3.57Å; D73-K122 PolarHBondContact OD2-NZ 3.35Å; D73-R145 IonicContact OD2-CZ 2.58Å; D73-R145 IonicContact OD2-NH2 3.98Å; D73-R145 PolarHBondContact OD2-NH2 3.45Å; D73-I164 HydrophobicContact CB-CG2 4.01Å; D73-I164 VanDerWaalsContact O-CG2 3.25Å; D73-I164 WeakPolarHBondContact O-CG2 3.38Å
74N94.7Very high96.4Very high75 Ų7547.1 Ų47.140%0.40123%0.227SC..THydrogen-bonded Turntrans56.312.6-177.4-159.520.6000115.8V72 I164V72-N74 VanDerWaalsContact C-N 3.33Å; V72-N74 PolarHBondContact O-N 3.07Å; N74-I164 HydrophobicContact CB-CG2 3.55Å
75K95.9Very high96.5Very high116 Ų11645.2 Ų45.250%0.50422%0.217SC..EExtended strand (participates in β ladder)trans-110.2127173.5-66.8-176.8179.8-176.30109.8K71 V72 D73 R77K71-K75 CarbonylContact C-O 3.42Å; K71-K75 WeakPolarHBondContact CA-O 3.4Å; V72-K75 PolarHBondContact N-O 3.07Å; V72-K75 PolarHBondContact O-N 2.87Å; V72-K75 VanDerWaalsContact O-N 3.07Å; D73-K75 PolarHBondContact O-N 3.28Å; K75-R77 PolarHBondContact O-N 2.7Å
76V97Very high96.5Very high48 Ų4845.5 Ų45.529%0.29122%0.218SC..EExtended strand (participates in β ladder)trans-59.8126.5173.9176.30000109R68 K71R68-V76 HydrophobicContact CB-CG1 3.66Å; R68-V76 HydrophobicContact CG-CG1 4.03Å; K71-V76 HydrophobicContact CD-CG2 4.49Å; K71-V76 HydrophobicContact CG-CG2 3.87Å
77R96.9Very high96.6Very high75 Ų7541.2 Ų41.228%0.28320%0.195SC..  trans-114.7128.3173.4-61-56.5-177.5171.34.6108.6L44 M65 V70 V72 K75 Y82L44-R77 HydrophobicContact CD1-CB 3.9Å; M65-R77 HydrophobicContact CE-CB 4.35Å; M65-R77 WeakPolarHBondContact CE-O 3.32Å; V70-R77 PolarHBondContact O-N 2.95Å; V70-R77 VanDerWaalsContact O-N 3.07Å; V72-R77 HydrophobicContact CB-CG 3.91Å; V72-R77 HydrophobicContact CG2-CB 4.38Å; V72-R77 HydrophobicContact CG2-CG 3.86Å; K75-R77 PolarHBondContact O-N 2.7Å; R77-Y82 HydrophobicContact CG-CD1 4.31Å; R77-Y82 HydrophobicContact CG-CD2 4.38Å; R77-Y82 HydrophobicContact CG-CE1 4.36Å; R77-Y82 HydrophobicContact CG-CE2 4.41Å; R77-Y82 HydrophobicContact CG-CG 4.3Å; R77-Y82 PolarHBondContact NH2-OH 3.33Å; R77-Y82 VanDerWaalsContact NH2-OH 3.13Å
78T96.3Very high96.6Very high71 Ų7136 Ų3644%0.43617%0.171SC..  trans-103.9-18.9174.952.50000112.1R68 I80R68-T78 HydrophobicContact CG-CG2 4.05Å; T78-I80 PolarHBondContact O-N 2.71Å
79D96.7Very high96.7Very high57 Ų5728.2 Ų28.231%0.30514%0.142SC..  trans-69.9113.8176177.813.1000110.8S32 T81 Y82S32-D79 WeakPolarHBondContact CB-OD2 3.2Å; S32-D79 PolarHBondContact OG-OD2 3.26Å; D79-T81 PolarHBondContact O-N 2.72Å; D79-T81 WeakPolarHBondContact OD1-CA 3.34Å; D79-T81 PolarHBondContact OD1-N 3.13Å; D79-T81 PolarHBondContact OD1-OG1 3.28Å; D79-Y82 VanDerWaalsContact O-CB 3.26Å; D79-Y82 WeakPolarHBondContact O-CB 3.29Å; D79-Y82 PolarHBondContact O-N 3.01Å; D79-Y82 VanDerWaalsContact O-N 3.17Å; D79-Y82 PolarHBondContact OD2-N 3.26Å
80I96.9Very high96.8Very high13 Ų1326.5 Ų26.57%0.06713%0.132CC..THydrogen-bonded Turntrans-61.9-29.1179.2-58.3161.5000111.8L44 I45 Y58 K62 M65 T78L44-I80 PolarHBondContact N-O 3.44Å; I45-I80 HydrophobicContact CB-CG2 3.51Å; I45-I80 HydrophobicContact CD1-CG2 3.98Å; I45-I80 HydrophobicContact CG1-CG2 4.14Å; I45-I80 HydrophobicContact CG2-CG2 4.19Å; I45-I80 PolarHBondContact N-O 2.93Å; Y58-I80 HydrophobicContact CE1-CD1 4.24Å; K62-I80 HydrophobicContact CB-CD1 3.42Å; K62-I80 VanDerWaalsContact CB-CD1 3.42Å; K62-I80 HydrophobicContact CB-CG1 4.34Å; K62-I80 HydrophobicContact CD-CD1 3.9Å; K62-I80 HydrophobicContact CG-CD1 3.57Å; M65-I80 HydrophobicContact CB-CG1 4.09Å; M65-I80 HydrophobicContact CG-CG1 4.14Å; T78-I80 PolarHBondContact O-N 2.71Å
81T97.4Very high96.9Very high23 Ų2327.4 Ų27.414%0.14114%0.138CC..THydrogen-bonded Turntrans-101.713.6-179.245.50000113.4P29 R30 P31 S32 D79P29-T81 HydrophobicContact CB-CG2 4.09Å; R30-T81 WeakPolarHBondContact O-CB 3.27Å; R30-T81 WeakPolarHBondContact O-CG2 3.49Å; P31-T81 WeakPolarHBondContact CA-O 3.45Å; S32-T81 PolarHBondContact N-O 3.04Å; S32-T81 PolarHBondContact OG-OG1 3.38Å; S32-T81 VanDerWaalsContact OG-OG1 3.13Å; D79-T81 PolarHBondContact O-N 2.72Å; D79-T81 WeakPolarHBondContact OD1-CA 3.34Å; D79-T81 PolarHBondContact OD1-N 3.13Å; D79-T81 PolarHBondContact OD1-OG1 3.28Å
82Y97.8Very high96.8Very high16 Ų1626 Ų266%0.06313%0.132CC..  trans-55.9129.5175.9-177.7-93.4000110.9P35 P43 L44 V72 R77 D79 A84P35-Y82 WeakPolarHBondContact CG-OH 3.37Å; P43-Y82 WeakPolarHBondContact CA-O 3.38Å; L44-Y82 HydrophobicContact CD1-CD1 4.09Å; L44-Y82 HydrophobicContact CD1-CG 4.28Å; L44-Y82 HydrophobicContact CG-CD1 4.34Å; L44-Y82 PolarHBondContact N-O 2.58Å; V72-Y82 HydrophobicContact CB-CE1 4.25Å; V72-Y82 HydrophobicContact CG1-CE1 3.99Å; V72-Y82 HydrophobicContact CG2-CD1 4.42Å; V72-Y82 HydrophobicContact CG2-CE1 4.4Å; R77-Y82 HydrophobicContact CG-CD1 4.31Å; R77-Y82 HydrophobicContact CG-CD2 4.38Å; R77-Y82 HydrophobicContact CG-CE1 4.36Å; R77-Y82 HydrophobicContact CG-CE2 4.41Å; R77-Y82 HydrophobicContact CG-CG 4.3Å; R77-Y82 PolarHBondContact NH2-OH 3.33Å; R77-Y82 VanDerWaalsContact NH2-OH 3.13Å; D79-Y82 VanDerWaalsContact O-CB 3.26Å; D79-Y82 WeakPolarHBondContact O-CB 3.29Å; D79-Y82 PolarHBondContact O-N 3.01Å; D79-Y82 VanDerWaalsContact O-N 3.17Å; D79-Y82 PolarHBondContact OD2-N 3.26Å; Y82-A84 HydrophobicContact CD1-CB 4.45Å; Y82-A84 PolarHBondContact O-N 3.05Å
83P97.6Very high96.6Very high1 Ų130.4 Ų30.41%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-82.478.4-175.234.4-37.2000111P31 S32 H36 C41P31-P83 HydrophobicContact CB-CB 4.08Å; S32-P83 WeakPolarHBondContact O-CG 3.35Å; H36-P83 PolarHBondContact CD2-O 2.62Å; C41-P83 HydrophobicContact CB-CB 3.71Å
84A97.5Very high96.5Very high1 Ų139.4 Ų39.41%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-66.6136.7169.500000109.4C41 L42 L44 Y82 I90 L101C41-A84 CarbonylContact C-O 3.45Å; C41-A84 WeakPolarHBondContact CA-O 3.24Å; C41-A84 WeakPolarHBondContact CB-O 3.34Å; L42-A84 PolarHBondContact N-O 2.99Å; L42-A84 PolarHBondContact O-N 3.2Å; L44-A84 HydrophobicContact CD2-CB 3.87Å; Y82-A84 HydrophobicContact CD1-CB 4.45Å; Y82-A84 PolarHBondContact O-N 3.05Å; A84-I90 HydrophobicContact CB-CD1 4.11Å; A84-L101 HydrophobicContact CB-CD1 3.68Å
85G96.6Very high96.4Very high0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-135.1-160.9-172.600000113.8H36 M87 D88 L101H36-G85 WeakPolarHBondContact CD2-CA 3.49Å; H36-G85 PolarHBondContact CD2-N 2.83Å; G85-M87 PolarHBondContact O-N 3.37Å; G85-D88 PolarHBondContact N-OD2 2.67Å; G85-D88 PolarHBondContact O-N 3.24Å; G85-L101 WeakPolarHBondContact O-CB 3.22Å; G85-L101 WeakPolarHBondContact O-CD1 3.22Å
86F96.5Very high96.3Very high7 Ų735.9 Ų35.93%0.03119%0.187CC..THydrogen-bonded Turntrans-58.9136-177.1-176.1-110.4000111.1H36 D88 V102 Y103 F109 H142 M182 V184 F226H36-F86 PolarHBondContact CE1-O 3.3Å; F86-D88 PolarHBondContact O-N 3.43Å; F86-D88 VanDerWaalsContact O-N 3.16Å; F86-V102 HydrophobicContact CE2-CG1 4.32Å; F86-Y103 HydrophobicContact CB-CE2 4.02Å; F86-Y103 AromaticContact CD2-CD2 3.36Å; F86-Y103 HydrophobicContact CD2-CD2 3.36Å; F86-Y103 AromaticContact CD2-CE2 3.45Å; F86-Y103 HydrophobicContact CD2-CE2 3.45Å; F86-Y103 VanDerWaalsContact CD2-CE2 3.45Å; F86-Y103 HydrophobicContact CD2-CG 4.32Å; F86-Y103 AromaticContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CE2 4.14Å; F86-Y103 HydrophobicContact CG-CD2 4.22Å; F86-Y103 AromaticContact CG-CE2 3.88Å; F86-Y103 HydrophobicContact CG-CE2 3.88Å; F86-F109 HydrophobicContact CB-CE1 4.39Å; F86-H142 PolarHBondContact O-NE2 3.24Å; F86-M182 HydrophobicContact CE2-SD 3.55Å; F86-M182 VanDerWaalsContact CE2-SD 3.55Å; F86-M182 HydrophobicContact CZ-CG 4.35Å; F86-M182 HydrophobicContact CZ-SD 3.66Å; F86-V184 HydrophobicContact CD1-CG1 3.63Å; F86-V184 HydrophobicContact CD2-CG1 4.3Å; F86-V184 HydrophobicContact CE1-CG1 3.38Å; F86-V184 HydrophobicContact CE2-CG1 4.09Å; F86-V184 HydrophobicContact CG-CG1 4.09Å; F86-V184 HydrophobicContact CZ-CG1 3.64Å; F86-F226 AromaticContact CD1-CD2 3.93Å; F86-F226 HydrophobicContact CD1-CD2 3.93Å; F86-F226 AromaticContact CD1-CE2 3.96Å; F86-F226 HydrophobicContact CD1-CE2 3.96Å; F86-F226 HydrophobicContact CD1-CG 4.5Å; F86-F226 HydrophobicContact CE1-CB 4.17Å; F86-F226 HydrophobicContact CE1-CD1 4Å; F86-F226 AromaticContact CE1-CD2 3.5Å; F86-F226 HydrophobicContact CE1-CD2 3.5Å; F86-F226 HydrophobicContact CE1-CE1 4.25Å; F86-F226 AromaticContact CE1-CE2 3.74Å; F86-F226 HydrophobicContact CE1-CE2 3.74Å; F86-F226 AromaticContact CE1-CG 3.64Å; F86-F226 HydrophobicContact CE1-CG 3.64Å; F86-F226 HydrophobicContact CE1-CZ 4.12Å; F86-F226 HydrophobicContact CZ-CG 4.47Å
87M97Very high96.2Very high0 Ų036 Ų360%018%0.184CC..THydrogen-bonded Turntrans64.74.8-179.9-66.4-59-67.500116.9G85 R100 L101 V102 K122 L123 F226 I236G85-M87 PolarHBondContact O-N 3.37Å; M87-R100 HydrophobicContact SD-CG 4.49Å; M87-L101 PolarHBondContact N-O 3.16Å; M87-V102 HydrophobicContact SD-CG2 4.5Å; M87-K122 WeakPolarHBondContact O-CB 3.24Å; M87-L123 WeakPolarHBondContact CB-O 3.38Å; M87-L123 HydrophobicContact CE-CB 3.57Å; M87-L123 HydrophobicContact CE-CD1 4.12Å; M87-L123 HydrophobicContact CE-CG 3.8Å; M87-F226 HydrophobicContact CG-CE1 4.36Å; M87-F226 HydrophobicContact CG-CE2 4.49Å; M87-F226 HydrophobicContact CG-CZ 4.02Å; M87-I236 HydrophobicContact CE-CB 4.49Å; M87-I236 HydrophobicContact CE-CD1 3.71Å; M87-I236 HydrophobicContact CE-CG2 3.66Å; M87-I236 HydrophobicContact SD-CD1 3.6Å
88D97.2Very high96.2Very high1 Ų134.2 Ų34.21%0.00518%0.18CC..  trans-70142.6171.5-70.5-8.8000110.6H36 V72 G85 F86 R100 L101 K122H36-D88 IonicContact CD2-OD2 3.16Å; H36-D88 PolarHBondContact CD2-OD2 3.19Å; H36-D88 VanDerWaalsContact CD2-OD2 3.24Å; H36-D88 IonicContact CE1-OD1 2.85Å; H36-D88 VanDerWaalsContact NE2-CG 3.26Å; H36-D88 IonicContact NE2-OD1 3.55Å; H36-D88 PolarHBondContact NE2-OD1 3.04Å; H36-D88 IonicContact NE2-OD2 3.75Å; H36-D88 PolarHBondContact NE2-OD2 2.98Å; V72-D88 HydrophobicContact CG1-CB 4.16Å; G85-D88 PolarHBondContact N-OD2 2.67Å; G85-D88 PolarHBondContact O-N 3.24Å; F86-D88 PolarHBondContact O-N 3.43Å; F86-D88 VanDerWaalsContact O-N 3.16Å; D88-R100 WeakPolarHBondContact O-CA 3.36Å; D88-L101 PolarHBondContact O-N 2.84Å; D88-K122 IonicContact OD1-NZ 2.86Å; D88-K122 PolarHBondContact OD1-NZ 3.32Å
89V97.4Very high96.3Very high2 Ų231 Ų311%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-100.5120.2174.7176.80000108.9V72 D73 F99 I114 A119 K122 I164V72-V89 CarbonylContact C-O 3.53Å; V72-V89 WeakPolarHBondContact CA-O 3.48Å; D73-V89 PolarHBondContact N-O 3.25Å; D73-V89 PolarHBondContact OD1-N 3.07Å; D73-V89 VanDerWaalsContact OD1-N 3.1Å; V89-F99 CarbonylContact C-O 3.58Å; V89-F99 WeakPolarHBondContact CA-O 3.05Å; V89-I114 HydrophobicContact CG1-CD1 4.13Å; V89-I114 HydrophobicContact CG2-CD1 4.31Å; V89-A119 HydrophobicContact CG1-CB 3.92Å; V89-K122 HydrophobicContact CG2-CB 4.39Å; V89-I164 HydrophobicContact CB-CD1 4Å; V89-I164 HydrophobicContact CG2-CD1 3.89Å
90I97.4Very high96.3Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-106.4122176.4-54.3176.8000108.2L44 F47 V70 K71 V72 A84 F99 L101L44-I90 HydrophobicContact CD2-CD1 4.03Å; F47-I90 HydrophobicContact CD1-CD1 4.06Å; F47-I90 HydrophobicContact CD1-CG2 4.29Å; F47-I90 HydrophobicContact CD2-CD1 3.93Å; F47-I90 HydrophobicContact CE1-CB 4.27Å; F47-I90 HydrophobicContact CE1-CD1 4.02Å; F47-I90 HydrophobicContact CE1-CG2 3.66Å; F47-I90 HydrophobicContact CE2-CD1 3.87Å; F47-I90 HydrophobicContact CG-CD1 4.02Å; F47-I90 HydrophobicContact CZ-CB 4.19Å; F47-I90 HydrophobicContact CZ-CD1 3.92Å; F47-I90 HydrophobicContact CZ-CG2 4.09Å; V70-I90 HydrophobicContact CG1-CG2 4.02Å; K71-I90 CarbonylContact O-C 3.45Å; K71-I90 WeakPolarHBondContact O-CA 2.87Å; V72-I90 HydrophobicContact CG2-CG1 4.31Å; A84-I90 HydrophobicContact CB-CD1 4.11Å; I90-F99 HydrophobicContact CB-CB 4.48Å; I90-F99 PolarHBondContact N-O 3.2Å; I90-F99 PolarHBondContact O-N 3.36Å; I90-L101 HydrophobicContact CD1-CD1 3.89Å; I90-L101 HydrophobicContact CD1-CD2 4.21Å; I90-L101 HydrophobicContact CD1-CG 3.95Å
91T97.3Very high96.3Very high20 Ų2027.6 Ų27.612%0.12314%0.142CC..EExtended strand (participates in β ladder)trans-116.3134.1178.6-62.40000109.7K71 H98K71-T91 PolarHBondContact N-O 3.38Å; K71-T91 PolarHBondContact O-N 3.39Å; T91-H98 WeakPolarHBondContact CG2-CE1 3.35Å; T91-H98 WeakPolarHBondContact CG2-ND1 3.4Å; T91-H98 PolarHBondContact OG1-ND1 2.95Å
92I96.2Very high96.3Very high12 Ų1226.5 Ų26.56%0.06214%0.135CC..EExtended strand (participates in β ladder)trans-111.4105.6172.4-58.2177.4000107.1L52 Y54 R94 T95 G96 E97 F99L52-I92 HydrophobicContact CD1-CD1 3.73Å; Y54-I92 HydrophobicContact CD2-CD1 4.07Å; Y54-I92 HydrophobicContact CE2-CD1 3.63Å; I92-R94 PolarHBondContact O-N 2.98Å; I92-T95 WeakPolarHBondContact CB-OG1 3.43Å; I92-T95 HydrophobicContact CG2-CG2 4.21Å; I92-T95 VanDerWaalsContact CG2-OG1 3.31Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.4Å; I92-T95 PolarHBondContact O-N 2.79Å; I92-T95 PolarHBondContact O-OG1 3.29Å; I92-G96 PolarHBondContact O-N 3.33Å; I92-E97 PolarHBondContact N-O 3.34Å; I92-E97 PolarHBondContact O-N 2.99Å; I92-F99 HydrophobicContact CD1-CE2 4.07Å
93E92.3Very high96.2Very high94 Ų9426.4 Ų26.444%0.43913%0.134SC..G310 helixtrans-63.7-42.3-168.8-61.3-169.8124.500112.4L69 K71 T95 G96L69-E93 PolarHBondContact O-N 3.19Å; K71-E93 HydrophobicContact CD-CG 4.09Å; K71-E93 WeakPolarHBondContact CD-OE1 3.4Å; K71-E93 VanDerWaalsContact CE-CD 3.45Å; K71-E93 WeakPolarHBondContact CE-OE1 3.48Å; K71-E93 IonicContact NZ-OE1 3.32Å; K71-E93 PolarHBondContact NZ-OE1 2.85Å; E93-T95 VanDerWaalsContact C-N 3.27Å; E93-T95 PolarHBondContact O-N 2.83Å; E93-G96 PolarHBondContact O-N 2.77Å
94R93.4Very high96Very high195 Ų19527.8 Ų27.874%0.73614%0.142SC*.G310 helixtrans-65.4-29.5-175.8-170.7170.2-178.1169.91.9113.5L69 I92L69-R94 HydrophobicContact CD1-CB 4.39Å; L69-R94 HydrophobicContact CD2-CB 4.41Å; I92-R94 PolarHBondContact O-N 2.98Å
95T93.7Very high95.9Very high69 Ų6928.7 Ų28.742%0.42315%0.147SC..G310 helixtrans-97.8-10.117858.50000112.5I92 E93 E97I92-T95 WeakPolarHBondContact CB-OG1 3.43Å; I92-T95 HydrophobicContact CG2-CG2 4.21Å; I92-T95 VanDerWaalsContact CG2-OG1 3.31Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.4Å; I92-T95 PolarHBondContact O-N 2.79Å; I92-T95 PolarHBondContact O-OG1 3.29Å; E93-T95 VanDerWaalsContact C-N 3.27Å; E93-T95 PolarHBondContact O-N 2.83Å; T95-E97 PolarHBondContact O-N 2.79Å
96G93.5Very high95.7Very high49 Ų4933.9 Ų33.951%0.50517%0.17SC..THydrogen-bonded Turntrans64.615.5-173.600000113.9I92 E93I92-G96 PolarHBondContact O-N 3.33Å; E93-G96 PolarHBondContact O-N 2.77Å
97E95Very high95.6Very high49 Ų4934.1 Ų34.123%0.22917%0.174CC..EExtended strand (participates in β ladder)trans-92133.3-177.8-63.6-166.8-179.600111.3Y54 I92 T95 F99 R113Y54-E97 PolarHBondContact OH-OE2 2.81Å; I92-E97 PolarHBondContact N-O 3.34Å; I92-E97 PolarHBondContact O-N 2.99Å; T95-E97 PolarHBondContact O-N 2.79Å; E97-F99 HydrophobicContact CB-CE2 3.73Å; E97-F99 HydrophobicContact CB-CZ 3.94Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.15Å; E97-R113 IonicContact OE1-CZ 2.86Å; E97-R113 IonicContact OE1-NH2 2.83Å; E97-R113 PolarHBondContact OE1-NH2 3.22Å; E97-R113 IonicContact OE2-CZ 3.85Å; E97-R113 IonicContact OE2-NE 2.62Å; E97-R113 PolarHBondContact OE2-NE 3.23Å; E97-R113 IonicContact OE2-NH2 3.2Å; E97-R113 PolarHBondContact OE2-NH2 3.44Å
98H97.4Very high95.5Very high39 Ų3938 Ų3818%0.18119%0.189CC..EExtended strand (participates in β ladder)trans-115.4136175.5-54.2-80.6000110.2T91 R113 I114 A119T91-H98 WeakPolarHBondContact CG2-CE1 3.35Å; T91-H98 WeakPolarHBondContact CG2-ND1 3.4Å; T91-H98 PolarHBondContact OG1-ND1 2.95Å; H98-R113 WeakPolarHBondContact O-CA 3.35Å; H98-I114 HydrophobicContact CB-CD1 4.36Å; H98-I114 HydrophobicContact CB-CG1 3.75Å; H98-I114 PolarHBondContact O-N 2.83Å; H98-A119 HydrophobicContact CB-CB 3.82Å
99F97.5Very high95.4Very high2 Ų238.1 Ų38.11%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-129.7141.5-178.8-56.2-85.7000110.6F47 L52 V89 I90 I92 E97 V111 H112 R113F47-F99 HydrophobicContact CE1-CD2 4.36Å; F47-F99 HydrophobicContact CE2-CB 4.42Å; F47-F99 HydrophobicContact CZ-CB 3.97Å; F47-F99 AromaticContact CZ-CD2 3.75Å; F47-F99 HydrophobicContact CZ-CD2 3.75Å; F47-F99 HydrophobicContact CZ-CE2 4.28Å; F47-F99 AromaticContact CZ-CG 3.83Å; F47-F99 HydrophobicContact CZ-CG 3.83Å; L52-F99 HydrophobicContact CD1-CE2 3.96Å; L52-F99 HydrophobicContact CD1-CZ 4Å; L52-F99 HydrophobicContact CD2-CE1 3.83Å; L52-F99 HydrophobicContact CD2-CE2 4.36Å; L52-F99 HydrophobicContact CD2-CZ 3.6Å; L52-F99 HydrophobicContact CG-CZ 4.48Å; V89-F99 CarbonylContact C-O 3.58Å; V89-F99 WeakPolarHBondContact CA-O 3.05Å; I90-F99 HydrophobicContact CB-CB 4.48Å; I90-F99 PolarHBondContact N-O 3.2Å; I90-F99 PolarHBondContact O-N 3.36Å; I92-F99 HydrophobicContact CD1-CE2 4.07Å; E97-F99 HydrophobicContact CB-CE2 3.73Å; E97-F99 HydrophobicContact CB-CZ 3.94Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.15Å; F99-V111 HydrophobicContact CB-CG1 4.25Å; F99-V111 HydrophobicContact CD1-CG1 3.22Å; F99-V111 HydrophobicContact CE1-CG1 3.58Å; F99-V111 HydrophobicContact CG-CG1 3.88Å; F99-V111 HydrophobicContact CZ-CG1 4.49Å; F99-H112 CarbonylContact C-O 3.44Å; F99-H112 VanDerWaalsContact CA-O 3.24Å; F99-H112 WeakPolarHBondContact CA-O 3.25Å; F99-R113 HydrophobicContact CD1-CG 3.67Å; F99-R113 HydrophobicContact CE1-CG 3.42Å; F99-R113 VanDerWaalsContact CE1-CG 3.42Å; F99-R113 HydrophobicContact CZ-CG 4.42Å
100R97.4Very high95.2Very high0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-110.9133.2165.8-170.2172.9-79.6156.7-1.4110.1M87 D88 V102 H112 I114 E118 Y121M87-R100 HydrophobicContact SD-CG 4.49Å; D88-R100 WeakPolarHBondContact O-CA 3.36Å; R100-V102 HydrophobicContact CB-CG2 4.28Å; R100-V102 HydrophobicContact CG-CG2 3.83Å; R100-V102 PolarHBondContact O-N 2.89Å; R100-H112 PolarHBondContact N-O 3.24Å; R100-H112 PolarHBondContact O-N 2.84Å; R100-I114 HydrophobicContact CB-CD1 4.18Å; R100-I114 HydrophobicContact CB-CG2 3.94Å; R100-E118 IonicContact CZ-OE1 3.95Å; R100-E118 IonicContact NH1-OE1 3.64Å; R100-E118 PolarHBondContact NH1-OE1 3.28Å; R100-E118 PolarHBondContact NH2-O 3.44Å; R100-E118 IonicContact NH2-OE1 3.68Å; R100-Y121 PolarHBondContact NH2-O 3.05Å
101L96.6Very high95Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-80.9107.7173.6-69.2-173.4000110.1L42 F47 A84 G85 M87 D88 I90 F109L42-L101 HydrophobicContact CD2-CD2 4.32Å; F47-L101 HydrophobicContact CD2-CD2 4.04Å; F47-L101 HydrophobicContact CE2-CD2 4Å; A84-L101 HydrophobicContact CB-CD1 3.68Å; G85-L101 WeakPolarHBondContact O-CB 3.22Å; G85-L101 WeakPolarHBondContact O-CD1 3.22Å; M87-L101 PolarHBondContact N-O 3.16Å; D88-L101 PolarHBondContact O-N 2.84Å; I90-L101 HydrophobicContact CD1-CD1 3.89Å; I90-L101 HydrophobicContact CD1-CD2 4.21Å; I90-L101 HydrophobicContact CD1-CG 3.95Å; L101-F109 HydrophobicContact CB-CD1 4.16Å
102V96.2Very high94.9Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-125.5155.4178.5-1730000108.9F86 M87 R100 A110 M182 P239F86-V102 HydrophobicContact CE2-CG1 4.32Å; M87-V102 HydrophobicContact SD-CG2 4.5Å; R100-V102 HydrophobicContact CB-CG2 4.28Å; R100-V102 HydrophobicContact CG-CG2 3.83Å; R100-V102 PolarHBondContact O-N 2.89Å; V102-A110 PolarHBondContact N-O 3.19Å; V102-A110 PolarHBondContact O-N 3.43Å; V102-M182 HydrophobicContact CG1-CE 3.48Å; V102-M182 VanDerWaalsContact CG1-CE 3.48Å; V102-M182 HydrophobicContact CG1-SD 3.59Å; V102-M182 VanDerWaalsContact CG1-SD 3.59Å; V102-P239 HydrophobicContact CG1-CG 4.12Å
103Y96.4Very high94.9Very high13 Ų1348.9 Ų48.95%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-80.4135.5174-69.7-66.2000111.6F86 R108 F109 V184 V189F86-Y103 HydrophobicContact CB-CE2 4.02Å; F86-Y103 AromaticContact CD2-CD2 3.36Å; F86-Y103 HydrophobicContact CD2-CD2 3.36Å; F86-Y103 AromaticContact CD2-CE2 3.45Å; F86-Y103 HydrophobicContact CD2-CE2 3.45Å; F86-Y103 VanDerWaalsContact CD2-CE2 3.45Å; F86-Y103 HydrophobicContact CD2-CG 4.32Å; F86-Y103 AromaticContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CE2 4.14Å; F86-Y103 HydrophobicContact CG-CD2 4.22Å; F86-Y103 AromaticContact CG-CE2 3.88Å; F86-Y103 HydrophobicContact CG-CE2 3.88Å; Y103-R108 CarbonylContact C-O 3.59Å; Y103-R108 WeakPolarHBondContact CA-O 3.24Å; Y103-F109 HydrophobicContact CD1-CD1 4.3Å; Y103-F109 HydrophobicContact CD1-CE1 4.3Å; Y103-F109 HydrophobicContact CE1-CD1 4.02Å; Y103-F109 HydrophobicContact CE1-CD2 4.36Å; Y103-F109 AromaticContact CE1-CE1 3.66Å; Y103-F109 HydrophobicContact CE1-CE1 3.66Å; Y103-F109 HydrophobicContact CE1-CE2 4.02Å; Y103-F109 HydrophobicContact CE1-CG 4.36Å; Y103-F109 AromaticContact CE1-CZ 3.66Å; Y103-F109 HydrophobicContact CE1-CZ 3.66Å; Y103-F109 HydrophobicContact CE2-CE1 4.39Å; Y103-F109 AromaticContact CZ-CE1 3.72Å; Y103-F109 AromaticContact CZ-CZ 3.66Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.26Å; Y103-V184 HydrophobicContact CD2-CB 4.39Å; Y103-V184 HydrophobicContact CD2-CG1 4.41Å; Y103-V184 HydrophobicContact CE2-CB 3.97Å; Y103-V184 HydrophobicContact CE2-CG1 4.28Å; Y103-V189 HydrophobicContact CD1-CG2 4.02Å; Y103-V189 HydrophobicContact CD2-CG2 4.09Å; Y103-V189 HydrophobicContact CE1-CG2 4.38Å; Y103-V189 HydrophobicContact CE2-CG2 4.43Å; Y103-V189 HydrophobicContact CG-CG2 3.87Å
104D94.5Very high95.2Very high31 Ų3145.3 Ų45.317%0.16622%0.222CC..  trans-77.2158.5161.4-178.521.3000110K106 G107 R108 A110 G190D104-K106 PolarHBondContact O-N 2.95Å; D104-G107 PolarHBondContact O-N 3.33Å; D104-R108 PolarHBondContact N-O 3.31Å; D104-R108 IonicContact OD2-CZ 3.31Å; D104-R108 IonicContact OD2-NE 2.65Å; D104-R108 IonicContact OD2-NH2 2.77Å; D104-R108 PolarHBondContact OD2-NH2 3.46Å; D104-A110 HydrophobicContact CB-CB 4.27Å; D104-G190 WeakPolarHBondContact O-CA 3.49Å
105V94.3Very high95.3Very high19 Ų1938.5 Ų38.512%0.11520%0.204CC..THydrogen-bonded Turntrans-59.9-12.9178.8-67.70000114.2K245V105-K245 HydrophobicContact CB-CB 4.22Å; V105-K245 HydrophobicContact CG1-CB 4.49Å
106K93.7Very high95.4Very high109 Ų10939 Ų3947%0.47421%0.208SC..THydrogen-bonded Turntrans-88.43.6172.3-58.9-163.4178.2-1590113.9D104 R108 E251D104-K106 PolarHBondContact O-N 2.95Å; K106-R108 HydrophobicContact CB-CG 4.49Å; K106-E251 WeakPolarHBondContact CE-OE1 3.45Å; K106-E251 WeakPolarHBondContact CE-OE2 3.4Å; K106-E251 IonicContact NZ-OE1 3.56Å; K106-E251 PolarHBondContact NZ-OE1 2.89Å; K106-E251 IonicContact NZ-OE2 2.95Å; K106-E251 PolarHBondContact NZ-OE2 2.82Å
107G93.1Very high95.5Very high13 Ų1343.5 Ų43.513%0.13422%0.216CC..SBendtrans75.129.6179.400000115.2H17 D104H17-G107 WeakPolarHBondContact CB-O 3.04Å; D104-G107 PolarHBondContact O-N 3.33Å
108R95.3Very high95.5Very high80 Ų8042.2 Ų42.230%0.30221%0.21SC..SBendtrans-116.9151-179.1-56.3172.3-64.8173.35.5109.3M19 Y103 D104 K106 A110M19-R108 WeakPolarHBondContact SD-CD 3.46Å; M19-R108 PolarHBondContact SD-NH1 3.15Å; Y103-R108 CarbonylContact C-O 3.59Å; Y103-R108 WeakPolarHBondContact CA-O 3.24Å; D104-R108 PolarHBondContact N-O 3.31Å; D104-R108 IonicContact OD2-CZ 3.31Å; D104-R108 IonicContact OD2-NE 2.65Å; D104-R108 IonicContact OD2-NH2 2.77Å; D104-R108 PolarHBondContact OD2-NH2 3.46Å; K106-R108 HydrophobicContact CB-CG 4.49Å; R108-A110 PolarHBondContact O-N 3.2Å; R108-A110 VanDerWaalsContact O-N 3.15Å
109F95.6Very high95.4Very high4 Ų440.9 Ų40.92%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-66.2114.2168.4-74.2-69000110H17 E40 L42 F86 L101 Y103H17-F109 AromaticContact CD2-CD2 3.71Å; H17-F109 AromaticContact CD2-CE2 3.93Å; H17-F109 AromaticContact NE2-CD2 3.81Å; H17-F109 AromaticContact NE2-CE2 3.6Å; E40-F109 WeakPolarHBondContact O-CZ 3.36Å; L42-F109 HydrophobicContact CB-CD2 3.92Å; L42-F109 HydrophobicContact CB-CE2 4.34Å; L42-F109 HydrophobicContact CB-CG 4.39Å; L42-F109 HydrophobicContact CD2-CB 4.32Å; F86-F109 HydrophobicContact CB-CE1 4.39Å; L101-F109 HydrophobicContact CB-CD1 4.16Å; Y103-F109 HydrophobicContact CD1-CD1 4.3Å; Y103-F109 HydrophobicContact CD1-CE1 4.3Å; Y103-F109 HydrophobicContact CE1-CD1 4.02Å; Y103-F109 HydrophobicContact CE1-CD2 4.36Å; Y103-F109 AromaticContact CE1-CE1 3.66Å; Y103-F109 HydrophobicContact CE1-CE1 3.66Å; Y103-F109 HydrophobicContact CE1-CE2 4.02Å; Y103-F109 HydrophobicContact CE1-CG 4.36Å; Y103-F109 AromaticContact CE1-CZ 3.66Å; Y103-F109 HydrophobicContact CE1-CZ 3.66Å; Y103-F109 HydrophobicContact CE2-CE1 4.39Å; Y103-F109 AromaticContact CZ-CE1 3.72Å; Y103-F109 AromaticContact CZ-CZ 3.66Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.26Å
110A93.5Very high95.4Very high23 Ų2347.7 Ų47.719%0.1923%0.232CC..EExtended strand (participates in β ladder)trans-82.2134.7165.200000108.8V102 D104 R108 H112 P239V102-A110 PolarHBondContact N-O 3.19Å; V102-A110 PolarHBondContact O-N 3.43Å; D104-A110 HydrophobicContact CB-CB 4.27Å; R108-A110 PolarHBondContact O-N 3.2Å; R108-A110 VanDerWaalsContact O-N 3.15Å; A110-H112 PolarHBondContact O-N 2.87Å; A110-P239 HydrophobicContact CB-CB 4.29Å
111V91.9Very high95.3Very high42 Ų4250 Ų5026%0.25524%0.241SC..EExtended strand (participates in β ladder)trans-87.490.6170.4177.90000106.9F47 R51 L52 F99F47-V111 HydrophobicContact CD2-CG2 3.81Å; F47-V111 HydrophobicContact CE2-CB 4.15Å; F47-V111 HydrophobicContact CE2-CG1 3.55Å; F47-V111 HydrophobicContact CE2-CG2 3.56Å; F47-V111 HydrophobicContact CZ-CG1 3.95Å; R51-V111 HydrophobicContact CB-CG2 3.67Å; R51-V111 HydrophobicContact CG-CG2 3.91Å; L52-V111 HydrophobicContact CD2-CG1 3.92Å; F99-V111 HydrophobicContact CB-CG1 4.25Å; F99-V111 HydrophobicContact CD1-CG1 3.22Å; F99-V111 HydrophobicContact CE1-CG1 3.58Å; F99-V111 HydrophobicContact CG-CG1 3.88Å; F99-V111 HydrophobicContact CZ-CG1 4.49Å
112H96.1Very high95.4Very high38 Ų3850 Ų5018%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-92.2116.6-176.2-174.754.2000109.8F99 R100 A110 S237 L238F99-H112 CarbonylContact C-O 3.44Å; F99-H112 VanDerWaalsContact CA-O 3.24Å; F99-H112 WeakPolarHBondContact CA-O 3.25Å; R100-H112 PolarHBondContact N-O 3.24Å; R100-H112 PolarHBondContact O-N 2.84Å; A110-H112 PolarHBondContact O-N 2.87Å; H112-S237 PolarHBondContact CD2-OG 3.07Å; H112-S237 VanDerWaalsContact NE2-CB 3.28Å; H112-S237 WeakPolarHBondContact NE2-CB 3.35Å; H112-S237 PolarHBondContact NE2-OG 3.37Å; H112-L238 PolarHBondContact CE1-O 2.95Å
113R96.2Very high95.4Very high157 Ų15750 Ų5059%0.59224%0.241SC*.EExtended strand (participates in β ladder)trans-70.1135.1173.9-74.4179.8168.7175.2-5.6109.7E97 H98 F99E97-R113 IonicContact OE1-CZ 2.86Å; E97-R113 IonicContact OE1-NH2 2.83Å; E97-R113 PolarHBondContact OE1-NH2 3.22Å; E97-R113 IonicContact OE2-CZ 3.85Å; E97-R113 IonicContact OE2-NE 2.62Å; E97-R113 PolarHBondContact OE2-NE 3.23Å; E97-R113 IonicContact OE2-NH2 3.2Å; E97-R113 PolarHBondContact OE2-NH2 3.44Å; H98-R113 WeakPolarHBondContact O-CA 3.35Å; F99-R113 HydrophobicContact CD1-CG 3.67Å; F99-R113 HydrophobicContact CE1-CG 3.42Å; F99-R113 VanDerWaalsContact CE1-CG 3.42Å; F99-R113 HydrophobicContact CZ-CG 4.42Å
114I97.2Very high95.5Very high19 Ų1949.4 Ų49.410%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-128.7163.5-17960.6166.7000110.6V89 H98 R100 E118 A119 S237V89-I114 HydrophobicContact CG1-CD1 4.13Å; V89-I114 HydrophobicContact CG2-CD1 4.31Å; H98-I114 HydrophobicContact CB-CD1 4.36Å; H98-I114 HydrophobicContact CB-CG1 3.75Å; H98-I114 PolarHBondContact O-N 2.83Å; R100-I114 HydrophobicContact CB-CD1 4.18Å; R100-I114 HydrophobicContact CB-CG2 3.94Å; I114-E118 HydrophobicContact CB-CB 4.32Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CB 4.42Å; I114-E118 HydrophobicContact CD1-CG 4.15Å; I114-E118 HydrophobicContact CG2-CG 4.45Å; I114-A119 HydrophobicContact CD1-CB 3.87Å; I114-A119 HydrophobicContact CG1-CB 4.47Å; I114-S237 WeakPolarHBondContact CG2-OG 3.48Å
115S96.5Very high95.6Very high52 Ų5248.5 Ų48.536%0.36423%0.233SC..  trans-72.3158.1174.370.80000111.4E117 E118 A119S115-E117 PolarHBondContact O-N 2.98Å; S115-E118 PolarHBondContact O-N 2.73Å; S115-E118 WeakPolarHBondContact OG-CB 3.42Å; S115-E118 PolarHBondContact OG-N 3.03Å; S115-A119 PolarHBondContact O-N 3.11Å
116P95.4Very high95.8Very high80 Ų8047.6 Ų47.652%0.51923%0.228SC..THydrogen-bonded Turntrans-60.3-29.7173.423.6-34.5000112.9A119P116-A119 PolarHBondContact O-N 2.82Å
117E95.2Very high95.9Very high143 Ų14349.8 Ų49.867%0.66823%0.233SC*.THydrogen-bonded Turntrans-66.6-45.9176-64178.3174.800111.6S115 A119 R120S115-E117 PolarHBondContact O-N 2.98Å; E117-A119 PolarHBondContact O-N 3.01Å; E117-R120 WeakPolarHBondContact O-CB 3.36Å; E117-R120 PolarHBondContact O-N 2.82Å
118E95.2Very high96Very high22 Ų2254.8 Ų54.810%0.10325%0.251CS..G310 helixtrans-68.4-26.7177.3-179.3166.8-161.300112.4R100 I114 S115 R120 Y121 I236 S237R100-E118 IonicContact CZ-OE1 3.95Å; R100-E118 IonicContact NH1-OE1 3.64Å; R100-E118 PolarHBondContact NH1-OE1 3.28Å; R100-E118 PolarHBondContact NH2-O 3.44Å; R100-E118 IonicContact NH2-OE1 3.68Å; I114-E118 HydrophobicContact CB-CB 4.32Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CB 4.42Å; I114-E118 HydrophobicContact CD1-CG 4.15Å; I114-E118 HydrophobicContact CG2-CG 4.45Å; S115-E118 PolarHBondContact O-N 2.73Å; S115-E118 WeakPolarHBondContact OG-CB 3.42Å; S115-E118 PolarHBondContact OG-N 3.03Å; E118-R120 PolarHBondContact O-N 2.88Å; E118-Y121 HydrophobicContact CB-CE1 4.32Å; E118-Y121 HydrophobicContact CG-CE1 4.2Å; E118-Y121 PolarHBondContact O-N 3.06Å; E118-Y121 VanDerWaalsContact O-O 3.09Å; E118-I236 WeakPolarHBondContact OE1-CA 3.42Å; E118-S237 PolarHBondContact OE1-N 3.33Å; E118-S237 PolarHBondContact OE1-OG 3.14Å; E118-S237 VanDerWaalsContact OE2-CB 3.29Å; E118-S237 WeakPolarHBondContact OE2-CB 3.28Å; E118-S237 PolarHBondContact OE2-OG 3.25Å
119A96.3Very high96.1Very high12 Ų1254.9 Ų54.910%0.09926%0.257CS..G310 helixtrans-68.3-15.7177.100000113.7V89 H98 I114 S115 P116 E117 Y121V89-A119 HydrophobicContact CG1-CB 3.92Å; H98-A119 HydrophobicContact CB-CB 3.82Å; I114-A119 HydrophobicContact CD1-CB 3.87Å; I114-A119 HydrophobicContact CG1-CB 4.47Å; S115-A119 PolarHBondContact O-N 3.11Å; P116-A119 PolarHBondContact O-N 2.82Å; E117-A119 PolarHBondContact O-N 3.01Å; A119-Y121 VanDerWaalsContact C-N 3.29Å; A119-Y121 PolarHBondContact O-N 2.87Å
120R96.4Very high96Very high144 Ų14457.5 Ų57.554%0.54327%0.271SS..G310 helixtrans-73.3-20.9178.8-64.8-178.5-179.4172.50.4113.4E117 E118 I164E117-R120 WeakPolarHBondContact O-CB 3.36Å; E117-R120 PolarHBondContact O-N 2.82Å; E118-R120 PolarHBondContact O-N 2.88Å; R120-I164 WeakPolarHBondContact O-CB 3.33Å; R120-I164 PolarHBondContact O-N 3.48Å
121Y96.6Very high96.2Very high49 Ų4962.6 Ų62.619%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-128.3160.8-178.471.2-90.1000112.4R100 E118 A119 M161 Y162 M235 I236R100-Y121 PolarHBondContact NH2-O 3.05Å; E118-Y121 HydrophobicContact CB-CE1 4.32Å; E118-Y121 HydrophobicContact CG-CE1 4.2Å; E118-Y121 PolarHBondContact O-N 3.06Å; E118-Y121 VanDerWaalsContact O-O 3.09Å; A119-Y121 VanDerWaalsContact C-N 3.29Å; A119-Y121 PolarHBondContact O-N 2.87Å; Y121-M161 HydrophobicContact CD1-CE 4.19Å; Y121-M161 HydrophobicContact CD2-CE 4.17Å; Y121-M161 HydrophobicContact CD2-CG 3.93Å; Y121-M161 HydrophobicContact CD2-SD 4.16Å; Y121-M161 HydrophobicContact CE2-SD 4.46Å; Y121-M161 HydrophobicContact CG-CE 3.92Å; Y121-M161 HydrophobicContact CG-CG 4.32Å; Y121-M161 HydrophobicContact CG-SD 4.5Å; Y121-Y162 CarbonylContact C-O 3.51Å; Y121-Y162 VanDerWaalsContact CA-O 3.24Å; Y121-Y162 WeakPolarHBondContact CA-O 3.31Å; Y121-M235 WeakPolarHBondContact CE2-O 3.42Å; Y121-M235 PolarHBondContact OH-O 3.03Å; Y121-I236 HydrophobicContact CE2-CG2 4.36Å
122K96.8Very high96.3Very high0 Ų061.6 Ų61.60%029%0.291CS..EExtended strand (participates in β ladder)trans-142153.8167.667.8-177.9-133.81660111.2D73 M87 D88 V89 C124 D143 Y162 I164D73-K122 WeakPolarHBondContact OD1-CD 3.48Å; D73-K122 IonicContact OD1-NZ 3.92Å; D73-K122 IonicContact OD2-NZ 3.57Å; D73-K122 PolarHBondContact OD2-NZ 3.35Å; M87-K122 WeakPolarHBondContact O-CB 3.24Å; D88-K122 IonicContact OD1-NZ 2.86Å; D88-K122 PolarHBondContact OD1-NZ 3.32Å; V89-K122 HydrophobicContact CG2-CB 4.39Å; K122-C124 WeakPolarHBondContact CE-SG 3.16Å; K122-D143 WeakPolarHBondContact CE-OD2 3.47Å; K122-D143 IonicContact NZ-OD2 2.61Å; K122-D143 PolarHBondContact NZ-OD2 3.32Å; K122-Y162 HydrophobicContact CG-CD1 4.34Å; K122-Y162 PolarHBondContact N-O 3.18Å; K122-Y162 PolarHBondContact O-N 2.98Å; K122-I164 HydrophobicContact CB-CD1 4.07Å; K122-I164 HydrophobicContact CB-CG1 4.43Å; K122-I164 HydrophobicContact CD-CD1 4.17Å; K122-I164 HydrophobicContact CD-CG1 4.32Å; K122-I164 HydrophobicContact CG-CD1 4.1Å; K122-I164 HydrophobicContact CG-CG1 4.04Å
123L97.4Very high96.2Very high0 Ų065.5 Ų65.50%032%0.319CS..EExtended strand (participates in β ladder)trans-86.3141.6170.4-56.8-178.7000110.7M87 I160 M161 L173 F226 I228 M235 I236M87-L123 WeakPolarHBondContact CB-O 3.38Å; M87-L123 HydrophobicContact CE-CB 3.57Å; M87-L123 HydrophobicContact CE-CD1 4.12Å; M87-L123 HydrophobicContact CE-CG 3.8Å; L123-I160 CarbonylContact C-O 3.59Å; L123-I160 VanDerWaalsContact CA-O 3.29Å; L123-I160 WeakPolarHBondContact CA-O 3.34Å; L123-M161 HydrophobicContact CD2-CB 4.02Å; L123-M161 HydrophobicContact CD2-CG 4.39Å; L123-L173 HydrophobicContact CD1-CD1 4.23Å; L123-L173 HydrophobicContact CD2-CD1 4.32Å; L123-F226 HydrophobicContact CB-CE1 3.76Å; L123-F226 HydrophobicContact CB-CZ 3.97Å; L123-F226 HydrophobicContact CD1-CE1 4.35Å; L123-I228 HydrophobicContact CD1-CB 4.18Å; L123-I228 HydrophobicContact CD1-CG2 4.3Å; L123-M235 HydrophobicContact CD1-CB 4.27Å; L123-M235 HydrophobicContact CD2-CB 4.29Å; L123-I236 HydrophobicContact CD1-CG2 3.65Å; L123-I236 HydrophobicContact CG-CG2 3.81Å
124C97.5Very high96.2Very high0 Ų068.2 Ų68.20%034%0.335CS..EExtended strand (participates in β ladder)trans-132.1124.3176.1-69.10000110.5K122 T141 S159 I160K122-C124 WeakPolarHBondContact CE-SG 3.16Å; C124-T141 HydrophobicContact CB-CG2 3.71Å; C124-S159 CarbonylContact O-C 3.51Å; C124-S159 WeakPolarHBondContact O-CA 3.26Å; C124-I160 HydrophobicContact CB-CD1 4.12Å; C124-I160 HydrophobicContact CB-CG1 3.69Å; C124-I160 PolarHBondContact N-O 3.47Å; C124-I160 WeakPolarHBondContact O-CG1 3.39Å; C124-I160 PolarHBondContact O-N 3.03Å
125K97.6Very high96Very high12 Ų1269.5 Ų69.55%0.05235%0.354CS..EExtended strand (participates in β ladder)trans-73.6133.3170.9178.7176-178.7178.60110.7T141 H142 N157 D158 M222 N223 V225 F226K125-T141 CarbonylContact O-C 3.57Å; K125-T141 VanDerWaalsContact O-CA 3.27Å; K125-T141 WeakPolarHBondContact O-CA 3.46Å; K125-H142 HydrophobicContact CB-CB 4.33Å; K125-H142 PolarHBondContact N-ND1 3.08Å; K125-H142 PolarHBondContact O-N 2.91Å; K125-N157 VanDerWaalsContact CE-OD1 3.25Å; K125-N157 WeakPolarHBondContact CE-OD1 3.45Å; K125-N157 PolarHBondContact NZ-OD1 3.35Å; K125-D158 WeakPolarHBondContact CA-O 3.48Å; K125-M222 PolarHBondContact NZ-O 2.85Å; K125-N223 PolarHBondContact NZ-O 3.36Å; K125-V225 WeakPolarHBondContact CD-O 3.49Å; K125-V225 WeakPolarHBondContact CE-O 3.31Å; K125-V225 PolarHBondContact NZ-O 2.85Å; K125-F226 HydrophobicContact CB-CD2 3.54Å; K125-F226 HydrophobicContact CB-CE2 3.45Å; K125-F226 VanDerWaalsContact CB-CE2 3.45Å; K125-F226 HydrophobicContact CB-CG 4.32Å; K125-F226 HydrophobicContact CB-CZ 4.14Å; K125-F226 HydrophobicContact CD-CD2 4.34Å; K125-F226 VanDerWaalsContact N-CE2 3.34Å
126V97.8Very high96Very high0 Ų068 Ų680%034%0.342CS..EExtended strand (participates in β ladder)trans-76.5119.1172.7-178.40000109.1L129 L139 I154 N157 D158 I160V126-L129 HydrophobicContact CG1-CG 4.47Å; V126-L139 HydrophobicContact CG1-CB 4.12Å; V126-L139 HydrophobicContact CG2-CD2 4.01Å; V126-I154 HydrophobicContact CG2-CG2 3.85Å; V126-N157 WeakPolarHBondContact O-CA 3.19Å; V126-N157 PolarHBondContact O-N 2.9Å; V126-D158 PolarHBondContact N-O 2.96Å; V126-I160 HydrophobicContact CG2-CG2 3.81Å
127R96.2Very high96.1Very high155 Ų15566.4 Ų66.459%0.58533%0.332SS*.EExtended strand (participates in β ladder)trans-89.1-41.9178-73.3-168.467.8-177.90112.7V140 H142R127-V140 PolarHBondContact N-O 2.88Å; R127-H142 HydrophobicContact CG-CB 4.23Å
128K95.7Very high96.2Very high119 Ų11959.9 Ų59.952%0.51730%0.302SS..EExtended strand (participates in β ladder)trans-153.5151.3178.760.6176.1-176.1174.20110.8L139 V140K128-L139 WeakPolarHBondContact O-CA 3.17Å; K128-V140 HydrophobicContact CG-CB 3.86Å; K128-V140 HydrophobicContact CG-CG2 4.24Å; K128-V140 PolarHBondContact N-O 3.12Å; K128-V140 PolarHBondContact O-N 2.98Å
129L96.2Very high96.2Very high81 Ų8158.8 Ų58.842%0.42430%0.297SS..EExtended strand (participates in β ladder)trans-102144.7167.1-69.4147.6000107.6V126 L139 I154V126-L129 HydrophobicContact CG1-CG 4.47Å; L129-L139 HydrophobicContact CD2-CB 3.95Å; L129-I154 WeakPolarHBondContact CD1-O 3.05Å
130L95.3Very high96.3Very high59 Ų5959.4 Ų59.431%0.30930%0.299SS..EExtended strand (participates in β ladder)trans-145.1149.5179.963.695.3000110.4A138 V140L130-A138 HydrophobicContact CD1-CB 3.78Å; L130-A138 HydrophobicContact CG-CB 4.11Å; L130-A138 PolarHBondContact N-O 2.9Å; L130-A138 PolarHBondContact O-N 3.44Å; L130-V140 HydrophobicContact CD2-CG2 3.5Å
131M95.9Very high96.3Very high131 Ų13152.6 Ų52.665%0.64527%0.274SS*.EExtended strand (participates in β ladder)trans-97.5118.6168.4-63-59.4-73.300107.7G135 P137M131-G135 WeakPolarHBondContact CE-O 3.31Å; M131-P137 HydrophobicContact CE-CB 4.48Å; M131-P137 HydrophobicContact SD-CB 3.85Å
132G93.9Very high96.3Very high21 Ų2151.9 Ų51.922%0.21627%0.272CS..  trans-80-179.3174.600000112.3G135 V136G132-G135 PolarHBondContact O-N 3.3Å; G132-V136 PolarHBondContact N-O 3.01Å
133P95.1Very high96.2Very high120 Ų12052.1 Ų52.178%0.77927%0.273SS*.G310 helixtrans-52.9147171.6-23.433.4000111.3G135P133-G135 PolarHBondContact O-N 2.8Å
134K95.7Very high96.1Very high213 Ų21354.6 Ų54.693%0.92630%0.299SS*.G310 helixtrans63.622.6-176.1-48.9-177.6177.7-173.40114.7V136K134-V136 VanDerWaalsContact C-N 3.28Å; K134-V136 HydrophobicContact CB-CG2 4.48Å; K134-V136 PolarHBondContact O-N 3.22Å
135G93.6Very high95.9Very high47 Ų4756.7 Ų56.749%0.48531%0.307SS..G310 helixtrans69.524.1177.600000113.8M131 G132 P133 P137M131-G135 WeakPolarHBondContact CE-O 3.31Å; G132-G135 PolarHBondContact O-N 3.3Å; P133-G135 PolarHBondContact O-N 2.8Å; G135-P137 WeakPolarHBondContact O-CD 3.37Å
136V96.2Very high95.9Very high21 Ų2160.4 Ų60.413%0.12733%0.331CS..  trans-79.3116.4-179.4175.70000110G132 K134 R148 Y149G132-V136 PolarHBondContact N-O 3.01Å; K134-V136 VanDerWaalsContact C-N 3.28Å; K134-V136 HydrophobicContact CB-CG2 4.48Å; K134-V136 PolarHBondContact O-N 3.22Å; V136-R148 HydrophobicContact CG1-CB 4.25Å; V136-R148 HydrophobicContact CG1-CG 4.49Å; V136-Y149 HydrophobicContact CB-CE1 4.44Å; V136-Y149 HydrophobicContact CG1-CD1 4.21Å; V136-Y149 HydrophobicContact CG1-CD2 4.44Å; V136-Y149 HydrophobicContact CG1-CE1 3.7Å; V136-Y149 HydrophobicContact CG1-CE2 3.98Å; V136-Y149 HydrophobicContact CG2-CE1 4.27Å; V136-Y149 WeakPolarHBondContact CG2-OH 3.26Å
137P97Very high95.8Very high46 Ų4661.3 Ų61.330%0.29934%0.335SS..EExtended strand (participates in β ladder)trans-68.7139.5175.728.6-33.6000110.4M131 G135 Y149 P150M131-P137 HydrophobicContact CE-CB 4.48Å; M131-P137 HydrophobicContact SD-CB 3.85Å; G135-P137 WeakPolarHBondContact O-CD 3.37Å; P137-Y149 HydrophobicContact CG-CD1 4.47Å; P137-Y149 PolarHBondContact O-N 3.15Å; P137-P150 WeakPolarHBondContact O-CD 3.39Å
138A96.9Very high95.7Very high5 Ų561.8 Ų61.84%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-144.5154.1175.100000111.1L130 T146 I147 R148L130-A138 HydrophobicContact CD1-CB 3.78Å; L130-A138 HydrophobicContact CG-CB 4.11Å; L130-A138 PolarHBondContact N-O 2.9Å; L130-A138 PolarHBondContact O-N 3.44Å; A138-T146 HydrophobicContact CB-CG2 4.06Å; A138-I147 CarbonylContact C-O 3.53Å; A138-I147 VanDerWaalsContact CA-O 3.23Å; A138-I147 WeakPolarHBondContact CA-O 3.37Å; A138-R148 HydrophobicContact CB-CG 4.41Å
139L96.7Very high95.7Very high0 Ų063.3 Ų63.30%034%0.341CS..EExtended strand (participates in β ladder)trans-117.2154.2171.26574.6000110.8V126 K128 L129 T141 T146 I147 P150 I154 I160 I169V126-L139 HydrophobicContact CG1-CB 4.12Å; V126-L139 HydrophobicContact CG2-CD2 4.01Å; K128-L139 WeakPolarHBondContact O-CA 3.17Å; L129-L139 HydrophobicContact CD2-CB 3.95Å; L139-T141 HydrophobicContact CD1-CG2 3.63Å; L139-T146 VanDerWaalsContact O-CA 3.31Å; L139-T146 WeakPolarHBondContact O-CA 3.36Å; L139-I147 HydrophobicContact CD1-CB 3.86Å; L139-I147 HydrophobicContact CD1-CD1 4.08Å; L139-I147 HydrophobicContact CD1-CG1 4.11Å; L139-I147 HydrophobicContact CG-CB 4.17Å; L139-I147 PolarHBondContact N-O 2.79Å; L139-I147 PolarHBondContact O-N 3.28Å; L139-P150 HydrophobicContact CB-CG 4.44Å; L139-P150 HydrophobicContact CD2-CB 3.58Å; L139-P150 HydrophobicContact CD2-CG 4.25Å; L139-P150 HydrophobicContact CG-CB 4.1Å; L139-P150 HydrophobicContact CG-CG 4.37Å; L139-I154 HydrophobicContact CD2-CG2 4.04Å; L139-I160 HydrophobicContact CD1-CD1 3.95Å; L139-I160 HydrophobicContact CD2-CD1 4.37Å; L139-I160 HydrophobicContact CD2-CG2 4.35Å; L139-I169 HydrophobicContact CD2-CD1 3.92Å
140V97.4Very high95.7Very high24 Ų2460.1 Ų60.115%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-117.8125.6172.2176.60000109R127 K128 L130 R145R127-V140 PolarHBondContact N-O 2.88Å; K128-V140 HydrophobicContact CG-CB 3.86Å; K128-V140 HydrophobicContact CG-CG2 4.24Å; K128-V140 PolarHBondContact N-O 3.12Å; K128-V140 PolarHBondContact O-N 2.98Å; L130-V140 HydrophobicContact CD2-CG2 3.5Å; V140-R145 WeakPolarHBondContact CA-O 3.38Å
141T97.5Very high95.7Very high1 Ų160.8 Ų60.81%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-89169.7-179.357.40000112.3C124 K125 L139 D143 G144 R145 I147 I160C124-T141 HydrophobicContact CB-CG2 3.71Å; K125-T141 CarbonylContact O-C 3.57Å; K125-T141 VanDerWaalsContact O-CA 3.27Å; K125-T141 WeakPolarHBondContact O-CA 3.46Å; L139-T141 HydrophobicContact CD1-CG2 3.63Å; T141-D143 VanDerWaalsContact C-N 3.28Å; T141-D143 WeakPolarHBondContact CB-OD1 3.43Å; T141-D143 PolarHBondContact O-N 3.16Å; T141-D143 PolarHBondContact OG1-OD1 3.08Å; T141-G144 PolarHBondContact O-N 3.48Å; T141-R145 PolarHBondContact N-O 2.99Å; T141-R145 WeakPolarHBondContact OG1-CB 3.42Å; T141-R145 PolarHBondContact OG1-N 3.29Å; T141-R145 VanDerWaalsContact OG1-N 3.07Å; T141-R145 PolarHBondContact OG1-O 2.86Å; T141-I147 HydrophobicContact CG2-CD1 4.38Å; T141-I160 HydrophobicContact CG2-CD1 3.63Å; T141-I160 HydrophobicContact CG2-CG1 4.48Å
142H96.3Very high95.6Very high34 Ų3460.6 Ų60.616%0.15734%0.337CS..THydrogen-bonded Turntrans-63.6-29.3179.176.9-62.9000114.9H36 F86 K125 R127 F226H36-H142 AromaticContact CE1-NE2 3.9Å; F86-H142 PolarHBondContact O-NE2 3.24Å; K125-H142 HydrophobicContact CB-CB 4.33Å; K125-H142 PolarHBondContact N-ND1 3.08Å; K125-H142 PolarHBondContact O-N 2.91Å; R127-H142 HydrophobicContact CG-CB 4.23Å; H142-F226 AromaticContact CE1-CE2 3.79Å; H142-F226 AromaticContact ND1-CE2 3.94Å; H142-F226 AromaticContact NE2-CE2 3.92Å
143D94.5Very high95.7Very high5 Ų564.3 Ų64.33%0.02735%0.352CS..THydrogen-bonded Turntrans-87.713.7173.168.6-33.7000112.4P35 K122 T141 R145P35-D143 HydrophobicContact CB-CB 4.24Å; P35-D143 VanDerWaalsContact CB-O 3.26Å; P35-D143 WeakPolarHBondContact CB-O 3.18Å; K122-D143 WeakPolarHBondContact CE-OD2 3.47Å; K122-D143 IonicContact NZ-OD2 2.61Å; K122-D143 PolarHBondContact NZ-OD2 3.32Å; T141-D143 VanDerWaalsContact C-N 3.28Å; T141-D143 WeakPolarHBondContact CB-OD1 3.43Å; T141-D143 PolarHBondContact O-N 3.16Å; T141-D143 PolarHBondContact OG1-OD1 3.08Å; D143-R145 VanDerWaalsContact C-N 3.33Å; D143-R145 PolarHBondContact O-N 3.48Å; D143-R145 VanDerWaalsContact OD2-CD 3.24Å; D143-R145 WeakPolarHBondContact OD2-CD 2.98Å; D143-R145 IonicContact OD2-CZ 3.83Å; D143-R145 IonicContact OD2-NE 2.78Å; D143-R145 PolarHBondContact OD2-NE 2.93Å
144G94.3Very high95.8Very high52 Ų5258.8 Ų58.854%0.53632%0.316SS..  trans76.212.4170.800000115.5T141T141-G144 PolarHBondContact O-N 3.48Å
145R95.1Very high95.8Very high45 Ų4555.5 Ų55.517%0.1730%0.301CS..  trans-74.8141.7172.2-58.5175.1179.5-111.1-0.9109.8D73 V140 T141 D143 Y162D73-R145 IonicContact OD2-CZ 2.58Å; D73-R145 IonicContact OD2-NH2 3.98Å; D73-R145 PolarHBondContact OD2-NH2 3.45Å; V140-R145 WeakPolarHBondContact CA-O 3.38Å; T141-R145 PolarHBondContact N-O 2.99Å; T141-R145 WeakPolarHBondContact OG1-CB 3.42Å; T141-R145 PolarHBondContact OG1-N 3.29Å; T141-R145 VanDerWaalsContact OG1-N 3.07Å; T141-R145 PolarHBondContact OG1-O 2.86Å; D143-R145 VanDerWaalsContact C-N 3.33Å; D143-R145 PolarHBondContact O-N 3.48Å; D143-R145 VanDerWaalsContact OD2-CD 3.24Å; D143-R145 WeakPolarHBondContact OD2-CD 2.98Å; D143-R145 IonicContact OD2-CZ 3.83Å; D143-R145 IonicContact OD2-NE 2.78Å; D143-R145 PolarHBondContact OD2-NE 2.93Å; R145-Y162 VanDerWaalsContact NH1-CE1 3.25Å; R145-Y162 PolarHBondContact NH1-OH 3.38Å; R145-Y162 VanDerWaalsContact NH1-OH 3.16Å
146T96.1Very high95.9Very high90 Ų9055.3 Ų55.355%0.55230%0.295SS*.EExtended strand (participates in β ladder)trans-105.7120.6168.5-55.70000108.4A138 L139A138-T146 HydrophobicContact CB-CG2 4.06Å; L139-T146 VanDerWaalsContact O-CA 3.31Å; L139-T146 WeakPolarHBondContact O-CA 3.36Å
147I95.5Very high95.9Very high19 Ų1955.4 Ų55.410%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-114.1122.7178.2-55.2175.7000107.7A138 L139 T141 I160 Y162 I169A138-I147 CarbonylContact C-O 3.53Å; A138-I147 VanDerWaalsContact CA-O 3.23Å; A138-I147 WeakPolarHBondContact CA-O 3.37Å; L139-I147 HydrophobicContact CD1-CB 3.86Å; L139-I147 HydrophobicContact CD1-CD1 4.08Å; L139-I147 HydrophobicContact CD1-CG1 4.11Å; L139-I147 HydrophobicContact CG-CB 4.17Å; L139-I147 PolarHBondContact N-O 2.79Å; L139-I147 PolarHBondContact O-N 3.28Å; T141-I147 HydrophobicContact CG2-CD1 4.38Å; I147-I160 HydrophobicContact CD1-CD1 3.59Å; I147-Y162 HydrophobicContact CD1-CD2 3.56Å; I147-Y162 HydrophobicContact CD1-CE2 3.58Å; I147-Y162 HydrophobicContact CG1-CE2 4.28Å; I147-I169 HydrophobicContact CD1-CD1 4.24Å; I147-I169 HydrophobicContact CD1-CG1 4.02Å; I147-I169 HydrophobicContact CG2-CD1 3.93Å; I147-I169 HydrophobicContact CG2-CG1 4.11Å
148R95.1Very high95.9Very high165 Ų16553.6 Ų53.662%0.62328%0.283SS*.EExtended strand (participates in β ladder)trans-89.1153.9179.3-59.2-171.7-59.7155.81.8110.5V136 A138V136-R148 HydrophobicContact CG1-CB 4.25Å; V136-R148 HydrophobicContact CG1-CG 4.49Å; A138-R148 HydrophobicContact CB-CG 4.41Å
149Y94.9Very high95.9Very high151 Ų15153.4 Ų53.459%0.59228%0.281SS*.SBendtrans53.452.2-178.7-51.6-75.4000113.1V136 P137V136-Y149 HydrophobicContact CB-CE1 4.44Å; V136-Y149 HydrophobicContact CG1-CD1 4.21Å; V136-Y149 HydrophobicContact CG1-CD2 4.44Å; V136-Y149 HydrophobicContact CG1-CE1 3.7Å; V136-Y149 HydrophobicContact CG1-CE2 3.98Å; V136-Y149 HydrophobicContact CG2-CE1 4.27Å; V136-Y149 WeakPolarHBondContact CG2-OH 3.26Å; P137-Y149 HydrophobicContact CG-CD1 4.47Å; P137-Y149 PolarHBondContact O-N 3.15Å
150P96.3Very high95.9Very high13 Ų1353.4 Ų53.48%0.08428%0.281CS..  trans-67.7159.2170.433.5-35.6000110.6P137 L139 I154 I169P137-P150 WeakPolarHBondContact O-CD 3.39Å; L139-P150 HydrophobicContact CB-CG 4.44Å; L139-P150 HydrophobicContact CD2-CB 3.58Å; L139-P150 HydrophobicContact CD2-CG 4.25Å; L139-P150 HydrophobicContact CG-CB 4.1Å; L139-P150 HydrophobicContact CG-CG 4.37Å; P150-I154 HydrophobicContact CB-CD1 4.28Å; P150-I169 HydrophobicContact CB-CD1 4.35Å
151D94.8Very high95.9Very high73 Ų7353.8 Ų53.839%0.3928%0.281SS..  trans-57.4132170.6-171.4-61.6000110.2L153 I154 F172D151-L153 PolarHBondContact O-N 2.85Å; D151-L153 VanDerWaalsContact O-N 3.08Å; D151-L153 WeakPolarHBondContact OD1-CB 3.45Å; D151-L153 VanDerWaalsContact OD1-CG 3.3Å; D151-L153 WeakPolarHBondContact OD1-CG 3.43Å; D151-L153 PolarHBondContact OD1-N 3.17Å; D151-I154 HydrophobicContact CB-CD1 3.9Å; D151-I154 HydrophobicContact CB-CG1 4.11Å; D151-I154 WeakPolarHBondContact O-CB 3.48Å; D151-I154 PolarHBondContact O-N 2.8Å; D151-F172 HydrophobicContact CB-CE1 4.48Å
152P94.9Very high95.9Very high128 Ų12854.8 Ų54.883%0.83129%0.285SS*.THydrogen-bonded Turntrans-57.6-20.8-179.8-25.134.5000114.9I154P152-I154 VanDerWaalsContact C-N 3.29Å
153L95.8Very high95.9Very high98 Ų9854.2 Ų54.251%0.51328%0.284SS..THydrogen-bonded Turntrans-75.5-16.8178.7-62.1173.3000113.2D151 K155 F172D151-L153 PolarHBondContact O-N 2.85Å; D151-L153 VanDerWaalsContact O-N 3.08Å; D151-L153 WeakPolarHBondContact OD1-CB 3.45Å; D151-L153 VanDerWaalsContact OD1-CG 3.3Å; D151-L153 WeakPolarHBondContact OD1-CG 3.43Å; D151-L153 PolarHBondContact OD1-N 3.17Å; L153-K155 PolarHBondContact O-N 3.34Å; L153-F172 HydrophobicContact CB-CE2 4.18Å; L153-F172 HydrophobicContact CB-CZ 3.75Å; L153-F172 HydrophobicContact CD1-CZ 4.23Å
154I96.7Very high95.9Very high5 Ų554.8 Ų54.83%0.02629%0.286CS..  trans-75123.5-178.1-63.6169.6000110V126 L129 L139 P150 D151 P152 I160 I169 F172V126-I154 HydrophobicContact CG2-CG2 3.85Å; L129-I154 WeakPolarHBondContact CD1-O 3.05Å; L139-I154 HydrophobicContact CD2-CG2 4.04Å; P150-I154 HydrophobicContact CB-CD1 4.28Å; D151-I154 HydrophobicContact CB-CD1 3.9Å; D151-I154 HydrophobicContact CB-CG1 4.11Å; D151-I154 WeakPolarHBondContact O-CB 3.48Å; D151-I154 PolarHBondContact O-N 2.8Å; P152-I154 VanDerWaalsContact C-N 3.29Å; I154-I160 HydrophobicContact CD1-CG2 4.06Å; I154-I160 HydrophobicContact CG2-CG2 4.21Å; I154-I169 HydrophobicContact CD1-CD1 4.19Å; I154-F172 HydrophobicContact CD1-CB 4.17Å; I154-F172 HydrophobicContact CD1-CD1 4.16Å; I154-F172 HydrophobicContact CD1-CG 4.17Å; I154-F172 HydrophobicContact CG1-CB 3.99Å; I154-F172 HydrophobicContact CG1-CD1 3.89Å; I154-F172 HydrophobicContact CG1-CD2 3.89Å; I154-F172 HydrophobicContact CG1-CE1 4.33Å; I154-F172 HydrophobicContact CG1-CE2 4.33Å; I154-F172 HydrophobicContact CG1-CG 3.65Å
155K96Very high95.9Very high144 Ų14457.9 Ų57.963%0.62629%0.287SS*.  trans-109.9169.3179.2-66.7-175.1-179.2-179.70112.2L153 D158L153-K155 PolarHBondContact O-N 3.34Å; K155-D158 PolarHBondContact N-OD2 3.38Å; K155-D158 WeakPolarHBondContact O-CB 3.49Å; K155-D158 PolarHBondContact O-N 3.33Å
156A95.4Very high95.8Very high43 Ų4363.1 Ų63.136%0.35531%0.311SS..THydrogen-bonded Turntrans-64.3141.5172.400000110.9D158A156-D158 VanDerWaalsContact C-N 3.26Å; A156-D158 PolarHBondContact O-N 3.48Å
157N96.3Very high95.7Very high23 Ų2360.2 Ų60.212%0.12330%0.299CS..THydrogen-bonded Turntrans76-7.9-172.9-53.1-73.9000116.7K125 V126 F175 M222K125-N157 VanDerWaalsContact CE-OD1 3.25Å; K125-N157 WeakPolarHBondContact CE-OD1 3.45Å; K125-N157 PolarHBondContact NZ-OD1 3.35Å; V126-N157 WeakPolarHBondContact O-CA 3.19Å; V126-N157 PolarHBondContact O-N 2.9Å; N157-F175 HydrophobicContact CB-CB 4.25Å; N157-F175 HydrophobicContact CB-CD1 4.27Å; N157-F175 HydrophobicContact CB-CG 4.09Å; N157-M222 VanDerWaalsContact ND2-CE 3.35Å; N157-M222 WeakPolarHBondContact ND2-CE 3.45Å
158D97.1Very high95.6Very high8 Ų866.2 Ų66.24%0.04332%0.324CS..  trans-64.4162.7167.2-65.7-7.6000110.3K125 V126 K155 A156 L173 F175K125-D158 WeakPolarHBondContact CA-O 3.48Å; V126-D158 PolarHBondContact N-O 2.96Å; K155-D158 PolarHBondContact N-OD2 3.38Å; K155-D158 WeakPolarHBondContact O-CB 3.49Å; K155-D158 PolarHBondContact O-N 3.33Å; A156-D158 VanDerWaalsContact C-N 3.26Å; A156-D158 PolarHBondContact O-N 3.48Å; D158-L173 WeakPolarHBondContact CA-O 3.45Å; D158-L173 VanDerWaalsContact CB-O 3.31Å; D158-L173 WeakPolarHBondContact CB-O 3.31Å; D158-F175 WeakPolarHBondContact OD1-CB 3.35Å; D158-F175 PolarHBondContact OD1-N 3.22Å
159S97.6Very high95.7Very high0 Ų060.6 Ų60.60%031%0.306CS..EExtended strand (participates in β ladder)trans-117.9131.7175.6-59.10000110.1C124 F172 L173 I227C124-S159 CarbonylContact O-C 3.51Å; C124-S159 WeakPolarHBondContact O-CA 3.26Å; S159-F172 CarbonylContact O-C 3.59Å; S159-F172 WeakPolarHBondContact O-CA 3.39Å; S159-L173 PolarHBondContact N-O 3.48Å; S159-L173 WeakPolarHBondContact O-CB 3.48Å; S159-L173 PolarHBondContact O-N 2.95Å; S159-I227 WeakPolarHBondContact CB-O 3.23Å; S159-I227 PolarHBondContact OG-N 3.34Å; S159-I227 PolarHBondContact OG-O 3.2Å; S159-I227 VanDerWaalsContact OG-O 3.07Å
160I97.1Very high95.7Very high0 Ų057.6 Ų57.60%030%0.303CS..EExtended strand (participates in β ladder)trans-100.6144.1178.664.3-176.8000109.6L123 C124 V126 L139 T141 I147 I154 I169 F172L123-I160 CarbonylContact C-O 3.59Å; L123-I160 VanDerWaalsContact CA-O 3.29Å; L123-I160 WeakPolarHBondContact CA-O 3.34Å; C124-I160 HydrophobicContact CB-CD1 4.12Å; C124-I160 HydrophobicContact CB-CG1 3.69Å; C124-I160 PolarHBondContact N-O 3.47Å; C124-I160 WeakPolarHBondContact O-CG1 3.39Å; C124-I160 PolarHBondContact O-N 3.03Å; V126-I160 HydrophobicContact CG2-CG2 3.81Å; L139-I160 HydrophobicContact CD1-CD1 3.95Å; L139-I160 HydrophobicContact CD2-CD1 4.37Å; L139-I160 HydrophobicContact CD2-CG2 4.35Å; T141-I160 HydrophobicContact CG2-CD1 3.63Å; T141-I160 HydrophobicContact CG2-CG1 4.48Å; I147-I160 HydrophobicContact CD1-CD1 3.59Å; I154-I160 HydrophobicContact CD1-CG2 4.06Å; I154-I160 HydrophobicContact CG2-CG2 4.21Å; I160-I169 HydrophobicContact CB-CG2 4.12Å; I160-I169 HydrophobicContact CD1-CD1 3.95Å; I160-I169 HydrophobicContact CD1-CG1 4.03Å; I160-I169 HydrophobicContact CG2-CD1 4.27Å; I160-I169 HydrophobicContact CG2-CG2 4.4Å; I160-F172 HydrophobicContact CG2-CB 4.16Å
161M96.7Very high95.6Very high32 Ų3259.5 Ų59.516%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-88.6112.4165.7-178.2171.3146.100108.3Y121 L123 V170 D171 M235Y121-M161 HydrophobicContact CD1-CE 4.19Å; Y121-M161 HydrophobicContact CD2-CE 4.17Å; Y121-M161 HydrophobicContact CD2-CG 3.93Å; Y121-M161 HydrophobicContact CD2-SD 4.16Å; Y121-M161 HydrophobicContact CE2-SD 4.46Å; Y121-M161 HydrophobicContact CG-CE 3.92Å; Y121-M161 HydrophobicContact CG-CG 4.32Å; Y121-M161 HydrophobicContact CG-SD 4.5Å; L123-M161 HydrophobicContact CD2-CB 4.02Å; L123-M161 HydrophobicContact CD2-CG 4.39Å; M161-V170 HydrophobicContact CE-CB 4.26Å; M161-V170 HydrophobicContact CE-CG1 4.09Å; M161-V170 HydrophobicContact CG-CB 4.45Å; M161-V170 PolarHBondContact O-N 3.17Å; M161-D171 HydrophobicContact CB-CB 4.3Å; M161-D171 PolarHBondContact N-O 3.01Å; M161-M235 HydrophobicContact SD-CE 3.84Å
162Y96.8Very high95.7Very high22 Ų2257.8 Ų57.89%0.08630%0.302CS..EExtended strand (participates in β ladder)trans-103.1121.6-175.8-175.8-102.1000110Y121 K122 R145 I147 I164 G167Y121-Y162 CarbonylContact C-O 3.51Å; Y121-Y162 VanDerWaalsContact CA-O 3.24Å; Y121-Y162 WeakPolarHBondContact CA-O 3.31Å; K122-Y162 HydrophobicContact CG-CD1 4.34Å; K122-Y162 PolarHBondContact N-O 3.18Å; K122-Y162 PolarHBondContact O-N 2.98Å; R145-Y162 VanDerWaalsContact NH1-CE1 3.25Å; R145-Y162 PolarHBondContact NH1-OH 3.38Å; R145-Y162 VanDerWaalsContact NH1-OH 3.16Å; I147-Y162 HydrophobicContact CD1-CD2 3.56Å; I147-Y162 HydrophobicContact CD1-CE2 3.58Å; I147-Y162 HydrophobicContact CG1-CE2 4.28Å; Y162-I164 HydrophobicContact CD1-CG1 4.37Å; Y162-I164 PolarHBondContact O-N 2.72Å; Y162-G167 VanDerWaalsContact CE2-C 3.41Å; Y162-G167 WeakPolarHBondContact CE2-O 3.37Å; Y162-G167 VanDerWaalsContact CZ-CA 3.48Å; Y162-G167 WeakPolarHBondContact OH-CA 3.4Å; Y162-G167 PolarHBondContact OH-O 2.81Å
163D96.5Very high95.8Very high23 Ų2351.8 Ų51.812%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-73.9116.4168.8-175.4-34.8000108.5E165 K166 G167 K168 V170D163-E165 VanDerWaalsContact C-N 3.33Å; D163-E165 PolarHBondContact OD1-N 3.35Å; D163-K166 HydrophobicContact CB-CB 4.25Å; D163-K166 PolarHBondContact OD1-N 2.83Å; D163-K166 VanDerWaalsContact OD2-CD 3.31Å; D163-K166 WeakPolarHBondContact OD2-CD 3.29Å; D163-K166 WeakPolarHBondContact OD2-CG 3.42Å; D163-G167 VanDerWaalsContact O-CA 3.25Å; D163-G167 WeakPolarHBondContact O-CA 3.37Å; D163-G167 PolarHBondContact O-N 3.38Å; D163-K168 PolarHBondContact N-O 3.27Å; D163-V170 HydrophobicContact CB-CG2 3.62Å
164I95.4Very high95.8Very high16 Ų1652 Ų528%0.08226%0.26CS..THydrogen-bonded Turntrans-71.2-32.5-174.3-61.3179.5000110.9D73 N74 V89 R120 K122 Y162D73-I164 HydrophobicContact CB-CG2 4.01Å; D73-I164 VanDerWaalsContact O-CG2 3.25Å; D73-I164 WeakPolarHBondContact O-CG2 3.38Å; N74-I164 HydrophobicContact CB-CG2 3.55Å; V89-I164 HydrophobicContact CB-CD1 4Å; V89-I164 HydrophobicContact CG2-CD1 3.89Å; R120-I164 WeakPolarHBondContact O-CB 3.33Å; R120-I164 PolarHBondContact O-N 3.48Å; K122-I164 HydrophobicContact CB-CD1 4.07Å; K122-I164 HydrophobicContact CB-CG1 4.43Å; K122-I164 HydrophobicContact CD-CD1 4.17Å; K122-I164 HydrophobicContact CD-CG1 4.32Å; K122-I164 HydrophobicContact CG-CD1 4.1Å; K122-I164 HydrophobicContact CG-CG1 4.04Å; Y162-I164 HydrophobicContact CD1-CG1 4.37Å; Y162-I164 PolarHBondContact O-N 2.72Å
165E93.5Very high95.8Very high118 Ų11853.3 Ų53.355%0.55127%0.265SS*.THydrogen-bonded Turntrans-78.7-53.2-178.1-63.8-177.7175.400111.2D163 G167D163-E165 VanDerWaalsContact C-N 3.33Å; D163-E165 PolarHBondContact OD1-N 3.35Å; E165-G167 VanDerWaalsContact C-N 3.26Å; E165-G167 PolarHBondContact O-N 3.2Å
166K93.7Very high95.7Very high154 Ų15451.1 Ų51.167%0.6726%0.26SS*.THydrogen-bonded Turntrans-74.7-21.4-179-63.3-178-172.6169.70112.5D163 K168D163-K166 HydrophobicContact CB-CB 4.25Å; D163-K166 PolarHBondContact OD1-N 2.83Å; D163-K166 VanDerWaalsContact OD2-CD 3.31Å; D163-K166 WeakPolarHBondContact OD2-CD 3.29Å; D163-K166 WeakPolarHBondContact OD2-CG 3.42Å; K166-K168 VanDerWaalsContact C-N 3.28Å; K166-K168 HydrophobicContact CB-CB 4.48Å; K166-K168 PolarHBondContact O-N 3.28Å
167G93.2Very high95.6Very high30 Ų3053.1 Ų53.131%0.30927%0.268SS..  trans68.326.3-176.700000113.8Y162 D163 E165Y162-G167 VanDerWaalsContact CE2-C 3.41Å; Y162-G167 WeakPolarHBondContact CE2-O 3.37Å; Y162-G167 VanDerWaalsContact CZ-CA 3.48Å; Y162-G167 WeakPolarHBondContact OH-CA 3.4Å; Y162-G167 PolarHBondContact OH-O 2.81Å; D163-G167 VanDerWaalsContact O-CA 3.25Å; D163-G167 WeakPolarHBondContact O-CA 3.37Å; D163-G167 PolarHBondContact O-N 3.38Å; E165-G167 VanDerWaalsContact C-N 3.26Å; E165-G167 PolarHBondContact O-N 3.2Å
168K94.4Very high95.6Very high144 Ų14453.5 Ų53.563%0.62628%0.278SS*.SBendtrans-121161.8-175.5-67.3-176.6-178.3-178.10111.4D163 K166D163-K168 PolarHBondContact N-O 3.27Å; K166-K168 VanDerWaalsContact C-N 3.28Å; K166-K168 HydrophobicContact CB-CB 4.48Å; K166-K168 PolarHBondContact O-N 3.28Å
169I96.1Very high95.6Very high47 Ų4754.4 Ų54.424%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-80.4133.1172.6-57.7175.1000108.2L139 I147 P150 I154 I160L139-I169 HydrophobicContact CD2-CD1 3.92Å; I147-I169 HydrophobicContact CD1-CD1 4.24Å; I147-I169 HydrophobicContact CD1-CG1 4.02Å; I147-I169 HydrophobicContact CG2-CD1 3.93Å; I147-I169 HydrophobicContact CG2-CG1 4.11Å; P150-I169 HydrophobicContact CB-CD1 4.35Å; I154-I169 HydrophobicContact CD1-CD1 4.19Å; I160-I169 HydrophobicContact CB-CG2 4.12Å; I160-I169 HydrophobicContact CD1-CD1 3.95Å; I160-I169 HydrophobicContact CD1-CG1 4.03Å; I160-I169 HydrophobicContact CG2-CD1 4.27Å; I160-I169 HydrophobicContact CG2-CG2 4.4Å
170V95.3Very high95.6Very high88 Ų8855.1 Ų55.153%0.53329%0.287SS..EExtended strand (participates in β ladder)trans-100.4-48177.4-178.20000111M161 D163M161-V170 HydrophobicContact CE-CB 4.26Å; M161-V170 HydrophobicContact CE-CG1 4.09Å; M161-V170 HydrophobicContact CG-CB 4.45Å; M161-V170 PolarHBondContact O-N 3.17Å; D163-V170 HydrophobicContact CB-CG2 3.62Å
171D95.4Very high95.6Very high53 Ų5355.1 Ų55.128%0.28329%0.287SS..EExtended strand (participates in β ladder)trans-148.2170.4-179.9-169.311.6000108.8M161 K230M161-D171 HydrophobicContact CB-CB 4.3Å; M161-D171 PolarHBondContact N-O 3.01Å; D171-K230 IonicContact OD1-NZ 2.77Å; D171-K230 PolarHBondContact OD1-NZ 3.2Å; D171-K230 IonicContact OD2-NZ 3.64Å; D171-K230 PolarHBondContact OD2-NZ 3.39Å
172F96.3Very high95.6Very high37 Ų3753.6 Ų53.616%0.16228%0.279CS..EExtended strand (participates in β ladder)trans-141.3157.6174.666.7-84.9000112.3D151 L153 I154 S159 I160 K174D151-F172 HydrophobicContact CB-CE1 4.48Å; L153-F172 HydrophobicContact CB-CE2 4.18Å; L153-F172 HydrophobicContact CB-CZ 3.75Å; L153-F172 HydrophobicContact CD1-CZ 4.23Å; I154-F172 HydrophobicContact CD1-CB 4.17Å; I154-F172 HydrophobicContact CD1-CD1 4.16Å; I154-F172 HydrophobicContact CD1-CG 4.17Å; I154-F172 HydrophobicContact CG1-CB 3.99Å; I154-F172 HydrophobicContact CG1-CD1 3.89Å; I154-F172 HydrophobicContact CG1-CD2 3.89Å; I154-F172 HydrophobicContact CG1-CE1 4.33Å; I154-F172 HydrophobicContact CG1-CE2 4.33Å; I154-F172 HydrophobicContact CG1-CG 3.65Å; S159-F172 CarbonylContact O-C 3.59Å; S159-F172 WeakPolarHBondContact O-CA 3.39Å; I160-F172 HydrophobicContact CG2-CB 4.16Å; F172-K174 HydrophobicContact CD2-CG 4.33Å; F172-K174 HydrophobicContact CE2-CG 4.05Å
173L96.5Very high95.7Very high3 Ų352.6 Ų52.62%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-121.8115.3-175.9-56.9172.2000108.1L123 D158 S159 I227 K230 M235L123-L173 HydrophobicContact CD1-CD1 4.23Å; L123-L173 HydrophobicContact CD2-CD1 4.32Å; D158-L173 WeakPolarHBondContact CA-O 3.45Å; D158-L173 VanDerWaalsContact CB-O 3.31Å; D158-L173 WeakPolarHBondContact CB-O 3.31Å; S159-L173 PolarHBondContact N-O 3.48Å; S159-L173 WeakPolarHBondContact O-CB 3.48Å; S159-L173 PolarHBondContact O-N 2.95Å; L173-I227 HydrophobicContact CB-CB 4.42Å; L173-I227 HydrophobicContact CB-CG2 3.64Å; L173-I227 HydrophobicContact CD1-CG2 4.12Å; L173-I227 HydrophobicContact CG-CG2 4.47Å; L173-K230 HydrophobicContact CD2-CD 4.11Å; L173-K230 HydrophobicContact CD2-CG 3.42Å; L173-K230 VanDerWaalsContact CD2-CG 3.42Å; L173-M235 HydrophobicContact CD1-CG 3.95Å; L173-M235 HydrophobicContact CD2-CG 3.97Å; L173-M235 HydrophobicContact CG-CG 4.49Å
174K96.2Very high95.7Very high102 Ų10252.9 Ų52.944%0.44328%0.278SS..  trans-70.5140.1178.3-69.8-173.4177.4176.10111.2F172 D176 N179F172-K174 HydrophobicContact CD2-CG 4.33Å; F172-K174 HydrophobicContact CE2-CG 4.05Å; K174-D176 VanDerWaalsContact C-N 3.28Å; K174-D176 PolarHBondContact O-N 3.22Å; K174-N179 PolarHBondContact O-ND2 3.08Å
175F96Very high95.7Very high32 Ų3252.7 Ų52.714%0.1428%0.279CS..  trans-77.481.9169.1-176.2-105.1000109.6N157 D158 V195 V208 M222 V225 I227N157-F175 HydrophobicContact CB-CB 4.25Å; N157-F175 HydrophobicContact CB-CD1 4.27Å; N157-F175 HydrophobicContact CB-CG 4.09Å; D158-F175 WeakPolarHBondContact OD1-CB 3.35Å; D158-F175 PolarHBondContact OD1-N 3.22Å; F175-V195 HydrophobicContact CE2-CG2 4.5Å; F175-V208 HydrophobicContact CZ-CG1 4.33Å; F175-V208 HydrophobicContact CZ-CG2 3.82Å; F175-M222 HydrophobicContact CE1-CG 4.03Å; F175-M222 HydrophobicContact CE1-SD 4.13Å; F175-M222 HydrophobicContact CZ-CG 4.04Å; F175-V225 HydrophobicContact CE2-CB 4.1Å; F175-V225 HydrophobicContact CE2-CG1 3.76Å; F175-I227 HydrophobicContact CB-CG1 4.29Å; F175-I227 HydrophobicContact CD2-CD1 3.58Å; F175-I227 HydrophobicContact CD2-CG1 3.65Å; F175-I227 HydrophobicContact CE2-CD1 4.04Å; F175-I227 HydrophobicContact CG-CG1 4.47Å
176D93.5Very high95.7Very high98 Ų9848.9 Ų48.952%0.52427%0.272SS..  trans-132.7163.3-177.8-154.2-2.8000111.3K174 N179K174-D176 VanDerWaalsContact C-N 3.28Å; K174-D176 PolarHBondContact O-N 3.22Å; D176-N179 PolarHBondContact O-N 3.05Å
177T95.1Very high95.8Very high85 Ų8549 Ų4952%0.52128%0.28SS..THydrogen-bonded Turntrans-60140.2175-60.70000110.5N179 M196T177-N179 VanDerWaalsContact C-N 3.33Å; T177-M196 WeakPolarHBondContact CG2-O 3.44Å
178G95.5Very high96Very high32 Ų3249.1 Ų49.133%0.3327%0.274SS..THydrogen-bonded Turntrans87.1-8179.800000115V195 G231G178-V195 PolarHBondContact N-O 2.89Å; G178-G231 VanDerWaalsContact O-CA 3.3Å; G178-G231 WeakPolarHBondContact O-CA 3.43Å
179N96.9Very high96.1Very high26 Ų2643.5 Ų43.514%0.13925%0.251CS..  trans-83.8150.2175.1-74.8-23.8000112.8K174 D176 T177 L194 V195 I227 G229 G231K174-N179 PolarHBondContact O-ND2 3.08Å; D176-N179 PolarHBondContact O-N 3.05Å; T177-N179 VanDerWaalsContact C-N 3.33Å; N179-L194 WeakPolarHBondContact O-CA 3.29Å; N179-V195 PolarHBondContact O-N 2.83Å; N179-I227 HydrophobicContact CB-CG2 4.2Å; N179-G229 WeakPolarHBondContact CB-O 3.44Å; N179-G231 PolarHBondContact OD1-N 3.03Å; N179-G231 VanDerWaalsContact OD1-N 3.14Å
180L97.1Very high96.1Very high16 Ų1641.2 Ų41.28%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-77.2131.8179.6-16471000110.4V192 L194 I228 G229 G231 P234L180-V192 HydrophobicContact CD1-CG1 3.71Å; L180-V192 HydrophobicContact CD2-CG1 4.04Å; L180-V192 HydrophobicContact CG-CG1 3.81Å; L180-L194 HydrophobicContact CB-CD2 4.35Å; L180-L194 HydrophobicContact CD1-CD2 3.85Å; L180-I228 HydrophobicContact CB-CG1 4.21Å; L180-I228 HydrophobicContact CD2-CD1 3.75Å; L180-I228 HydrophobicContact CD2-CG1 3.97Å; L180-I228 HydrophobicContact CG-CD1 4.01Å; L180-I228 HydrophobicContact CG-CG1 3.93Å; L180-I228 WeakPolarHBondContact O-CG1 3.25Å; L180-I228 PolarHBondContact O-N 3.13Å; L180-G229 PolarHBondContact N-O 3.47Å; L180-G229 PolarHBondContact O-N 3.36Å; L180-G231 WeakPolarHBondContact CB-O 3.45Å; L180-G231 PolarHBondContact N-O 3.14Å; L180-P234 HydrophobicContact CD2-CB 3.7Å; L180-P234 HydrophobicContact CD2-CG 4.38Å
181C97.2Very high96.2Very high0 Ų038.2 Ų38.20%022%0.219CC..EExtended strand (participates in β ladder)trans-131.3152.6179.1740000112.4V192 G193 V195 I210 V225 F226 I227C181-V192 VanDerWaalsContact O-CA 3.26Å; C181-V192 WeakPolarHBondContact O-CA 3.44Å; C181-G193 PolarHBondContact N-O 2.6Å; C181-G193 PolarHBondContact O-N 3.45Å; C181-G193 PolarHBondContact SG-O 3.5Å; C181-V195 HydrophobicContact CB-CG2 3.97Å; C181-I210 VanDerWaalsContact SG-CD1 3.55Å; C181-V225 HydrophobicContact CB-CG1 3.48Å; C181-V225 VanDerWaalsContact CB-CG1 3.48Å; C181-F226 CarbonylContact C-O 3.52Å; C181-F226 WeakPolarHBondContact CA-O 3.13Å; C181-F226 WeakPolarHBondContact CB-O 3.3Å; C181-I227 HydrophobicContact CB-CD1 3.76Å
182M97.6Very high96.3Very high0 Ų036 Ų360%021%0.207CC..EExtended strand (participates in β ladder)trans-112.8139.9167.5-177173.6-75.600109.5F86 V102 R191 V192 F226 I228 L238F86-M182 HydrophobicContact CE2-SD 3.55Å; F86-M182 VanDerWaalsContact CE2-SD 3.55Å; F86-M182 HydrophobicContact CZ-CG 4.35Å; F86-M182 HydrophobicContact CZ-SD 3.66Å; V102-M182 HydrophobicContact CG1-CE 3.48Å; V102-M182 VanDerWaalsContact CG1-CE 3.48Å; V102-M182 HydrophobicContact CG1-SD 3.59Å; V102-M182 VanDerWaalsContact CG1-SD 3.59Å; M182-R191 WeakPolarHBondContact CA-O 3.32Å; M182-V192 HydrophobicContact CB-CG2 4.06Å; M182-V192 HydrophobicContact CE-CG2 3.35Å; M182-V192 HydrophobicContact CG-CG2 4.06Å; M182-F226 PolarHBondContact N-O 2.87Å; M182-F226 WeakPolarHBondContact O-CB 3.36Å; M182-F226 PolarHBondContact O-N 3.33Å; M182-I228 HydrophobicContact CB-CD1 4.27Å; M182-I228 HydrophobicContact CB-CG2 4.05Å; M182-L238 HydrophobicContact CE-CD2 3.81Å
183V97.7Very high96.3Very high1 Ų134.3 Ų34.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-86.2125.4174.3-176.80000110.5G185 N188 V189 G190 R191 I210 F218 T220 Y224V183-G185 WeakPolarHBondContact CG1-O 3.23Å; V183-N188 VanDerWaalsContact CB-O 3.31Å; V183-N188 WeakPolarHBondContact CB-O 3.42Å; V183-N188 HydrophobicContact CG1-CB 4.24Å; V183-N188 HydrophobicContact CG2-CB 4.47Å; V183-V189 CarbonylContact O-C 3.58Å; V183-V189 WeakPolarHBondContact O-CA 3.34Å; V183-G190 PolarHBondContact O-N 2.78Å; V183-R191 PolarHBondContact N-O 3.08Å; V183-I210 HydrophobicContact CG2-CD1 3.77Å; V183-F218 HydrophobicContact CG2-CE2 3.75Å; V183-F218 HydrophobicContact CG2-CZ 4.49Å; V183-T220 HydrophobicContact CG1-CG2 4.35Å; V183-T220 HydrophobicContact CG2-CG2 4.08Å; V183-Y224 CarbonylContact C-O 3.58Å; V183-Y224 WeakPolarHBondContact CA-O 3.45Å
184V96.8Very high96.3Very high29 Ų2936 Ų3618%0.17621%0.209CC..  trans-101.3-4.1-176.5-610000114.4F86 Y103 Y224 F226F86-V184 HydrophobicContact CD1-CG1 3.63Å; F86-V184 HydrophobicContact CD2-CG1 4.3Å; F86-V184 HydrophobicContact CE1-CG1 3.38Å; F86-V184 HydrophobicContact CE2-CG1 4.09Å; F86-V184 HydrophobicContact CG-CG1 4.09Å; F86-V184 HydrophobicContact CZ-CG1 3.64Å; Y103-V184 HydrophobicContact CD2-CB 4.39Å; Y103-V184 HydrophobicContact CD2-CG1 4.41Å; Y103-V184 HydrophobicContact CE2-CB 3.97Å; Y103-V184 HydrophobicContact CE2-CG1 4.28Å; V184-Y224 WeakPolarHBondContact CG2-O 3.47Å; V184-Y224 PolarHBondContact N-O 3.31Å; V184-F226 HydrophobicContact CG1-CB 3.76Å; V184-F226 HydrophobicContact CG1-CD2 4.33Å; V184-F226 HydrophobicContact CG1-CG 4.36Å
185G95.3Very high96.4Very high11 Ų1131.4 Ų31.411%0.11319%0.19CC..SBendtrans-159.8171-177.700000114.1V183V183-G185 WeakPolarHBondContact CG1-O 3.23Å
186G95Very high96.4Very high39 Ų3932.8 Ų32.840%0.40220%0.197SC..SBendtrans73-163.5-17600000113.5N188 V189G186-N188 VanDerWaalsContact C-N 3.3Å; G186-N188 PolarHBondContact O-N 3.01Å; G186-V189 WeakPolarHBondContact O-CG1 3.15Å; G186-V189 PolarHBondContact O-N 2.95Å
187N94.7Very high96.5Very high156 Ų15632.3 Ų32.383%0.83419%0.192SC*.THydrogen-bonded Turntrans-72.3-22.4-172.6-66.3-8.4000113.9
188N96.5Very high96.5Very high32 Ų3232.6 Ų32.617%0.17118%0.183CC..THydrogen-bonded Turntrans-96.812.2-178-73.1-44.6000113.1V183 G186 R191 F218 A219V183-N188 VanDerWaalsContact CB-O 3.31Å; V183-N188 WeakPolarHBondContact CB-O 3.42Å; V183-N188 HydrophobicContact CG1-CB 4.24Å; V183-N188 HydrophobicContact CG2-CB 4.47Å; G186-N188 VanDerWaalsContact C-N 3.3Å; G186-N188 PolarHBondContact O-N 3.01Å; N188-R191 VanDerWaalsContact O-CB 3.29Å; N188-R191 WeakPolarHBondContact O-CB 3.36Å; N188-R191 WeakPolarHBondContact O-CG 3.49Å; N188-R191 PolarHBondContact O-N 2.87Å; N188-R191 PolarHBondContact OD1-NH1 3.11Å; N188-F218 HydrophobicContact CB-CD2 3.8Å; N188-F218 HydrophobicContact CB-CE2 4.08Å; N188-A219 PolarHBondContact ND2-O 2.95Å
189V96.6Very high96.5Very high26 Ų2634.4 Ų34.416%0.15818%0.183CC..THydrogen-bonded Turntrans-53138.5-178.859.20000112.9Y103 V183 G186 R191Y103-V189 HydrophobicContact CD1-CG2 4.02Å; Y103-V189 HydrophobicContact CD2-CG2 4.09Å; Y103-V189 HydrophobicContact CE1-CG2 4.38Å; Y103-V189 HydrophobicContact CE2-CG2 4.43Å; Y103-V189 HydrophobicContact CG-CG2 3.87Å; V183-V189 CarbonylContact O-C 3.58Å; V183-V189 WeakPolarHBondContact O-CA 3.34Å; G186-V189 WeakPolarHBondContact O-CG1 3.15Å; G186-V189 PolarHBondContact O-N 2.95Å; V189-R191 PolarHBondContact O-N 3.36Å
190G96.2Very high96.4Very high0 Ų042 Ų420%021%0.21CC..THydrogen-bonded Turntrans78.1-5-178.200000115.2D104 V183D104-G190 WeakPolarHBondContact O-CA 3.49Å; V183-G190 PolarHBondContact O-N 2.78Å
191R97.2Very high96.3Very high25 Ų2544.6 Ų44.69%0.09422%0.222CC..  trans-75.2144.2172-63.1-179.371.91784111M182 V183 N188 V189 D212 F218 G243 K245M182-R191 WeakPolarHBondContact CA-O 3.32Å; V183-R191 PolarHBondContact N-O 3.08Å; N188-R191 VanDerWaalsContact O-CB 3.29Å; N188-R191 WeakPolarHBondContact O-CB 3.36Å; N188-R191 WeakPolarHBondContact O-CG 3.49Å; N188-R191 PolarHBondContact O-N 2.87Å; N188-R191 PolarHBondContact OD1-NH1 3.11Å; V189-R191 PolarHBondContact O-N 3.36Å; R191-D212 IonicContact CZ-OD2 3.76Å; R191-D212 IonicContact NH2-OD2 2.78Å; R191-D212 PolarHBondContact NH2-OD2 3.07Å; R191-F218 HydrophobicContact CB-CE1 4.32Å; R191-F218 HydrophobicContact CB-CE2 4.12Å; R191-F218 HydrophobicContact CB-CZ 3.69Å; R191-F218 VanDerWaalsContact CZ-CE1 3.49Å; R191-G243 VanDerWaalsContact CA-O 3.23Å; R191-G243 WeakPolarHBondContact CA-O 3.27Å; R191-K245 HydrophobicContact CG-CB 3.95Å; R191-K245 HydrophobicContact CG-CD 4.44Å
192V97.3Very high96.1Very high6 Ų650.7 Ų50.74%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-118.8139.6177174.60000109.6L180 C181 M182 D212 I228 L238 G243L180-V192 HydrophobicContact CD1-CG1 3.71Å; L180-V192 HydrophobicContact CD2-CG1 4.04Å; L180-V192 HydrophobicContact CG-CG1 3.81Å; C181-V192 VanDerWaalsContact O-CA 3.26Å; C181-V192 WeakPolarHBondContact O-CA 3.44Å; M182-V192 HydrophobicContact CB-CG2 4.06Å; M182-V192 HydrophobicContact CE-CG2 3.35Å; M182-V192 HydrophobicContact CG-CG2 4.06Å; V192-D212 WeakPolarHBondContact O-CB 3.35Å; V192-I228 HydrophobicContact CG1-CD1 3.93Å; V192-I228 HydrophobicContact CG2-CD1 4.24Å; V192-L238 HydrophobicContact CG1-CD1 4.27Å; V192-L238 HydrophobicContact CG2-CD2 4.25Å; V192-G243 PolarHBondContact N-O 3.49Å
193G97.2Very high95.9Very high2 Ų255.2 Ų55.22%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-172.6174.4176.400000112.9C181 R211C181-G193 PolarHBondContact N-O 2.6Å; C181-G193 PolarHBondContact O-N 3.45Å; C181-G193 PolarHBondContact SG-O 3.5Å; G193-R211 CarbonylContact C-O 3.53Å; G193-R211 WeakPolarHBondContact CA-O 3.35Å
194L97.4Very high95.7Very high39 Ų3959.1 Ų59.120%0.20434%0.335CS..EExtended strand (participates in β ladder)trans-81.7137.4176.8-59.6178000110.1N179 L180 M196 I210 R211 G231 R232N179-L194 WeakPolarHBondContact O-CA 3.29Å; L180-L194 HydrophobicContact CB-CD2 4.35Å; L180-L194 HydrophobicContact CD1-CD2 3.85Å; L194-M196 PolarHBondContact O-N 3.07Å; L194-I210 VanDerWaalsContact O-CA 3.31Å; L194-I210 WeakPolarHBondContact O-CA 3.39Å; L194-R211 PolarHBondContact N-O 2.91Å; L194-R211 PolarHBondContact O-N 2.72Å; L194-G231 WeakPolarHBondContact CD2-O 3.47Å; L194-R232 HydrophobicContact CD1-CG 4.09Å; L194-R232 HydrophobicContact CD2-CG 4.23Å
195V97.4Very high95.5Very high5 Ų562.8 Ų62.83%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-67.4121.3170.4178.20000108.6F175 G178 N179 C181 V208 V225 I227F175-V195 HydrophobicContact CE2-CG2 4.5Å; G178-V195 PolarHBondContact N-O 2.89Å; N179-V195 PolarHBondContact O-N 2.83Å; C181-V195 HydrophobicContact CB-CG2 3.97Å; V195-V208 HydrophobicContact CG1-CG1 3.85Å; V195-V208 HydrophobicContact CG2-CG1 4.48Å; V195-V225 HydrophobicContact CG2-CG1 4.49Å; V195-I227 HydrophobicContact CG2-CD1 3.95Å
196M96.6Very high95.6Very high61 Ų6163.4 Ų63.430%0.335%0.35SS..EExtended strand (participates in β ladder)trans-93.9-55.3-178.6-66-60-53.900112T177 L194 H209 R211T177-M196 WeakPolarHBondContact CG2-O 3.44Å; L194-M196 PolarHBondContact O-N 3.07Å; M196-H209 HydrophobicContact CB-CB 4.4Å; M196-H209 WeakPolarHBondContact CB-O 3.31Å; M196-H209 PolarHBondContact N-O 2.81Å; M196-R211 HydrophobicContact CG-CB 3.67Å; M196-R211 HydrophobicContact SD-CB 3.66Å
197H94.6Very high95.7Very high87 Ų8764.1 Ų64.140%0.40334%0.344SS..EExtended strand (participates in β ladder)trans-159.3163.7173.967-82.5000109.9E199 H209H197-E199 IonicContact NE2-OE1 2.71Å; H197-H209 AromaticContact CD2-CD2 3.7Å; H197-H209 AromaticContact CE1-CD2 3.33Å; H197-H209 PolarHBondContact CE1-CD2 3.46Å; H197-H209 AromaticContact CE1-CG 3.47Å; H197-H209 VanDerWaalsContact CE1-CG 3.47Å; H197-H209 AromaticContact CE1-NE2 3.95Å; H197-H209 AromaticContact NE2-CD2 3.03Å; H197-H209 PolarHBondContact NE2-CD2 3.14Å; H197-H209 AromaticContact NE2-CG 3.69Å; H197-H209 AromaticContact NE2-NE2 3.52Å; H197-H209 PolarHBondContact O-N 2.85Å
198R95.1Very high95.8Very high91 Ų9156.7 Ų56.734%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-116.9121.2178.6173.3-176.2173.1-175.9-3.7109.5R200 D206 I207R198-R200 HydrophobicContact CG-CG 4.32Å; R198-D206 IonicContact CZ-OD2 3.39Å; R198-D206 IonicContact NE-OD2 3.3Å; R198-D206 PolarHBondContact NE-OD2 3.33Å; R198-D206 IonicContact NH2-OD2 2.8Å; R198-D206 PolarHBondContact NH2-OD2 2.98Å; R198-I207 CarbonylContact C-O 3.57Å; R198-I207 WeakPolarHBondContact CA-O 3.27Å
199E95.3Very high95.9Very high71 Ų7157.4 Ų57.433%0.33231%0.306SS..EExtended strand (participates in β ladder)trans-86.1117.7168.1-66.2174.8176.200109.2H197 H201 D206 I207 H209H197-E199 IonicContact NE2-OE1 2.71Å; E199-H201 PolarHBondContact O-ND1 2.91Å; E199-H201 IonicContact OE2-CE1 3.01Å; E199-D206 WeakPolarHBondContact O-CA 3.37Å; E199-I207 HydrophobicContact CB-CB 4.3Å; E199-I207 PolarHBondContact N-O 3.32Å; E199-I207 PolarHBondContact O-N 3.31Å; E199-H209 IonicContact OE1-CD2 3.57Å; E199-H209 IonicContact OE1-CE1 3.91Å; E199-H209 IonicContact OE1-NE2 2.7Å; E199-H209 PolarHBondContact OE1-NE2 2.86Å; E199-H209 IonicContact OE2-NE2 2.95Å
200R95Very high95.9Very high184 Ų18456.2 Ų56.269%0.69430%0.299SS*.  trans-88.9128.7179.2-64.4-175.4-177.7-175.32.4109.6R198 D206R198-R200 HydrophobicContact CG-CG 4.32Å; R200-D206 WeakPolarHBondContact CA-OD1 3.33Å
201H96.2Very high96Very high72 Ų7261.8 Ų61.833%0.33332%0.32SS..  trans-124.687.7177.2-6587.6000108.3E199 G203 S204 D206E199-H201 PolarHBondContact O-ND1 2.91Å; E199-H201 IonicContact OE2-CE1 3.01Å; H201-G203 PolarHBondContact O-N 3.17Å; H201-S204 CarbonylContact O-C 3.6Å; H201-S204 WeakPolarHBondContact O-CA 3.21Å; H201-S204 PolarHBondContact O-N 2.96Å; H201-D206 PolarHBondContact N-OD1 3.12Å
202P92.9Very high95.9Very high127 Ų12761 Ų6183%0.82532%0.317SS*.THydrogen-bonded Turntrans-53.4130.4-178.8-25.234.4000111.7S204P202-S204 PolarHBondContact O-N 3.31Å
203G92.4Very high95.7Very high96 Ų9665.7 Ų65.799%0.9935%0.351SS*.THydrogen-bonded Turntrans79.1-4.1-176.500000115.3H201H201-G203 PolarHBondContact O-N 3.17Å
204S94.1Very high95.5Very high83 Ų8368.4 Ų68.458%0.5837%0.373SS*.SBendtrans-130.5-166.3180-166.50000111.5H201 P202H201-S204 CarbonylContact O-C 3.6Å; H201-S204 WeakPolarHBondContact O-CA 3.21Å; H201-S204 PolarHBondContact O-N 2.96Å; P202-S204 PolarHBondContact O-N 3.31Å
205F93.4Very high95.4Very high105 Ų10568.8 Ų68.846%0.46139%0.386SS..  trans-85.4116.7179.6-56.7-73.4000110.9R221F205-R221 HydrophobicContact CB-CG 4.16Å
206D95.8Very high95.2Very high24 Ų2472.7 Ų72.713%0.12840%0.404CS..  trans-60.4140168.9-69.7-10.7000111.7R198 E199 R200 H201 R221 M222R198-D206 IonicContact CZ-OD2 3.39Å; R198-D206 IonicContact NE-OD2 3.3Å; R198-D206 PolarHBondContact NE-OD2 3.33Å; R198-D206 IonicContact NH2-OD2 2.8Å; R198-D206 PolarHBondContact NH2-OD2 2.98Å; E199-D206 WeakPolarHBondContact O-CA 3.37Å; R200-D206 WeakPolarHBondContact CA-OD1 3.33Å; H201-D206 PolarHBondContact N-OD1 3.12Å; D206-R221 WeakPolarHBondContact O-CA 3.33Å; D206-M222 HydrophobicContact CB-CB 4.04Å; D206-M222 HydrophobicContact CB-SD 4.4Å; D206-M222 PolarHBondContact O-N 3.26Å
207I97.1Very high95.2Very high54 Ų5474.3 Ų74.328%0.27742%0.417SS..EExtended strand (participates in β ladder)trans-108137.8-178.6-60.4176.7000108.3R198 E199 A219R198-I207 CarbonylContact C-O 3.57Å; R198-I207 WeakPolarHBondContact CA-O 3.27Å; E199-I207 HydrophobicContact CB-CB 4.3Å; E199-I207 PolarHBondContact N-O 3.32Å; E199-I207 PolarHBondContact O-N 3.31Å; I207-A219 HydrophobicContact CG2-CB 3.84Å
208V97.5Very high95.4Very high0 Ų071 Ų710%040%0.402CS..EExtended strand (participates in β ladder)trans-120.8124.6-179.6-175.80000108F175 V195 I210 A219 T220 M222 V225F175-V208 HydrophobicContact CZ-CG1 4.33Å; F175-V208 HydrophobicContact CZ-CG2 3.82Å; V195-V208 HydrophobicContact CG1-CG1 3.85Å; V195-V208 HydrophobicContact CG2-CG1 4.48Å; V208-I210 HydrophobicContact CG1-CG1 4.16Å; V208-A219 WeakPolarHBondContact O-CA 3.37Å; V208-T220 PolarHBondContact N-O 3.23Å; V208-T220 PolarHBondContact O-N 3.22Å; V208-M222 HydrophobicContact CG2-CB 3.94Å; V208-M222 HydrophobicContact CG2-CG 4.28Å; V208-V225 HydrophobicContact CB-CG2 3.86Å; V208-V225 HydrophobicContact CG1-CG2 4.11Å; V208-V225 HydrophobicContact CG2-CG2 3.98Å
209H98Very high95.5Very high48 Ų4868.6 Ų68.622%0.22240%0.402CS..EExtended strand (participates in β ladder)trans-89.9130.9174.2-69.9-89.8000109.8M196 H197 E199M196-H209 HydrophobicContact CB-CB 4.4Å; M196-H209 WeakPolarHBondContact CB-O 3.31Å; M196-H209 PolarHBondContact N-O 2.81Å; H197-H209 AromaticContact CD2-CD2 3.7Å; H197-H209 AromaticContact CE1-CD2 3.33Å; H197-H209 PolarHBondContact CE1-CD2 3.46Å; H197-H209 AromaticContact CE1-CG 3.47Å; H197-H209 VanDerWaalsContact CE1-CG 3.47Å; H197-H209 AromaticContact CE1-NE2 3.95Å; H197-H209 AromaticContact NE2-CD2 3.03Å; H197-H209 PolarHBondContact NE2-CD2 3.14Å; H197-H209 AromaticContact NE2-CG 3.69Å; H197-H209 AromaticContact NE2-NE2 3.52Å; H197-H209 PolarHBondContact O-N 2.85Å; E199-H209 IonicContact OE1-CD2 3.57Å; E199-H209 IonicContact OE1-CE1 3.91Å; E199-H209 IonicContact OE1-NE2 2.7Å; E199-H209 PolarHBondContact OE1-NE2 2.86Å; E199-H209 IonicContact OE2-NE2 2.95Å
210I97.6Very high95.6Very high1 Ų166 Ų661%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-127.3138.8-173.6-58.5166.3000108.4C181 V183 L194 V208 T217 F218 T220 V225C181-I210 VanDerWaalsContact SG-CD1 3.55Å; V183-I210 HydrophobicContact CG2-CD1 3.77Å; L194-I210 VanDerWaalsContact O-CA 3.31Å; L194-I210 WeakPolarHBondContact O-CA 3.39Å; V208-I210 HydrophobicContact CG1-CG1 4.16Å; I210-T217 CarbonylContact O-C 3.5Å; I210-T217 WeakPolarHBondContact O-CA 3.35Å; I210-F218 HydrophobicContact CB-CD2 4.22Å; I210-F218 HydrophobicContact CB-CE1 4.23Å; I210-F218 HydrophobicContact CB-CE2 3.75Å; I210-F218 HydrophobicContact CB-CZ 3.78Å; I210-F218 HydrophobicContact CD1-CE2 3.84Å; I210-F218 HydrophobicContact CD1-CZ 4.43Å; I210-F218 HydrophobicContact CG1-CE2 4.38Å; I210-F218 HydrophobicContact CG2-CE1 3.94Å; I210-F218 HydrophobicContact CG2-CE2 3.9Å; I210-F218 HydrophobicContact CG2-CZ 3.44Å; I210-F218 VanDerWaalsContact CG2-CZ 3.44Å; I210-F218 PolarHBondContact N-O 3.38Å; I210-F218 PolarHBondContact O-N 2.77Å; I210-T220 HydrophobicContact CD1-CG2 3.72Å; I210-V225 HydrophobicContact CD1-CG2 4.16Å
211R97.3Very high95.7Very high117 Ų11762.5 Ų62.544%0.44238%0.377SS..EExtended strand (participates in β ladder)trans-115.1122.9173.4-175.2178.7-70165.5-1.7109.9G193 L194 M196 H216 T217G193-R211 CarbonylContact C-O 3.53Å; G193-R211 WeakPolarHBondContact CA-O 3.35Å; L194-R211 PolarHBondContact N-O 2.91Å; L194-R211 PolarHBondContact O-N 2.72Å; M196-R211 HydrophobicContact CG-CB 3.67Å; M196-R211 HydrophobicContact SD-CB 3.66Å; R211-H216 WeakPolarHBondContact CA-O 3.45Å; R211-T217 HydrophobicContact CB-CG2 4.17Å; R211-T217 HydrophobicContact CG-CG2 4.11Å
212D95.3Very high95.6Very high7 Ų760.2 Ų60.24%0.03737%0.367CS..  trans-77.5172175.364.435.2000112.6R191 V192 A214 G215 H216 F218R191-D212 IonicContact CZ-OD2 3.76Å; R191-D212 IonicContact NH2-OD2 2.78Å; R191-D212 PolarHBondContact NH2-OD2 3.07Å; V192-D212 WeakPolarHBondContact O-CB 3.35Å; D212-A214 PolarHBondContact O-N 3.14Å; D212-A214 WeakPolarHBondContact OD1-CA 3.46Å; D212-A214 PolarHBondContact OD1-N 3.46Å; D212-A214 VanDerWaalsContact OD1-N 3.08Å; D212-G215 PolarHBondContact O-N 3.02Å; D212-G215 VanDerWaalsContact O-N 3.08Å; D212-G215 PolarHBondContact OD1-N 2.93Å; D212-G215 VanDerWaalsContact OD1-N 3.12Å; D212-H216 PolarHBondContact N-O 3.04Å; D212-H216 IonicContact OD1-CG 3.45Å; D212-H216 PolarHBondContact OD1-N 3.36Å; D212-H216 IonicContact OD1-ND1 3.08Å; D212-H216 PolarHBondContact OD1-ND1 3.15Å; D212-H216 VanDerWaalsContact OD1-ND1 3.16Å; D212-H216 WeakPolarHBondContact OD2-CB 3.35Å; D212-H216 IonicContact OD2-CG 3.24Å; D212-H216 IonicContact OD2-ND1 2.99Å; D212-H216 PolarHBondContact OD2-ND1 3.21Å; D212-F218 HydrophobicContact CB-CE1 4.21Å
213S93.6Very high95.7Very high106 Ų10658.7 Ų58.774%0.74135%0.352SS*.THydrogen-bonded Turntrans-67.4-16.6-178.961.90000113.8G215 V244S213-G215 VanDerWaalsContact C-N 3.34Å; S213-V244 WeakPolarHBondContact OG-CG2 3.47Å
214A93.5Very high95.9Very high59 Ų5957.8 Ų57.849%0.48832%0.319SS..THydrogen-bonded Turntrans-91.31.9175.300000112.4D212 H216 V244D212-A214 PolarHBondContact O-N 3.14Å; D212-A214 WeakPolarHBondContact OD1-CA 3.46Å; D212-A214 PolarHBondContact OD1-N 3.46Å; D212-A214 VanDerWaalsContact OD1-N 3.08Å; A214-H216 WeakPolarHBondContact CB-ND1 3.5Å; A214-V244 HydrophobicContact CB-CG1 3.91Å
215G93.8Very high96.1Very high46 Ų4653.8 Ų53.847%0.47429%0.291SS..SBendtrans90.2-3.4177.100000114.7D212 S213 T217D212-G215 PolarHBondContact O-N 3.02Å; D212-G215 VanDerWaalsContact O-N 3.08Å; D212-G215 PolarHBondContact OD1-N 2.93Å; D212-G215 VanDerWaalsContact OD1-N 3.12Å; S213-G215 VanDerWaalsContact C-N 3.34Å; G215-T217 PolarHBondContact O-N 3.45Å
216H95.2Very high96.3Very high88 Ų8849 Ų4941%0.40727%0.27SS..  trans-72.6134.2177.6-45.783.8000110.2R211 D212 A214R211-H216 WeakPolarHBondContact CA-O 3.45Å; D212-H216 PolarHBondContact N-O 3.04Å; D212-H216 IonicContact OD1-CG 3.45Å; D212-H216 PolarHBondContact OD1-N 3.36Å; D212-H216 IonicContact OD1-ND1 3.08Å; D212-H216 PolarHBondContact OD1-ND1 3.15Å; D212-H216 VanDerWaalsContact OD1-ND1 3.16Å; D212-H216 WeakPolarHBondContact OD2-CB 3.35Å; D212-H216 IonicContact OD2-CG 3.24Å; D212-H216 IonicContact OD2-ND1 2.99Å; D212-H216 PolarHBondContact OD2-ND1 3.21Å; A214-H216 WeakPolarHBondContact CB-ND1 3.5Å
217T96.5Very high96.4Very high95 Ų9547.8 Ų47.858%0.58326%0.264SS*.EExtended strand (participates in β ladder)trans-101141.9175.851.60000110.9I210 R211 G215I210-T217 CarbonylContact O-C 3.5Å; I210-T217 WeakPolarHBondContact O-CA 3.35Å; R211-T217 HydrophobicContact CB-CG2 4.17Å; R211-T217 HydrophobicContact CG-CG2 4.11Å; G215-T217 PolarHBondContact O-N 3.45Å
218F97.2Very high96.4Very high17 Ų1745.2 Ų45.28%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-153158.1175.658.6-84.2000110.8V183 N188 R191 I210 D212V183-F218 HydrophobicContact CG2-CE2 3.75Å; V183-F218 HydrophobicContact CG2-CZ 4.49Å; N188-F218 HydrophobicContact CB-CD2 3.8Å; N188-F218 HydrophobicContact CB-CE2 4.08Å; R191-F218 HydrophobicContact CB-CE1 4.32Å; R191-F218 HydrophobicContact CB-CE2 4.12Å; R191-F218 HydrophobicContact CB-CZ 3.69Å; R191-F218 VanDerWaalsContact CZ-CE1 3.49Å; I210-F218 HydrophobicContact CB-CD2 4.22Å; I210-F218 HydrophobicContact CB-CE1 4.23Å; I210-F218 HydrophobicContact CB-CE2 3.75Å; I210-F218 HydrophobicContact CB-CZ 3.78Å; I210-F218 HydrophobicContact CD1-CE2 3.84Å; I210-F218 HydrophobicContact CD1-CZ 4.43Å; I210-F218 HydrophobicContact CG1-CE2 4.38Å; I210-F218 HydrophobicContact CG2-CE1 3.94Å; I210-F218 HydrophobicContact CG2-CE2 3.9Å; I210-F218 HydrophobicContact CG2-CZ 3.44Å; I210-F218 VanDerWaalsContact CG2-CZ 3.44Å; I210-F218 PolarHBondContact N-O 3.38Å; I210-F218 PolarHBondContact O-N 2.77Å; D212-F218 HydrophobicContact CB-CE1 4.21Å
219A97.2Very high96.3Very high41 Ų4145.2 Ų45.234%0.33925%0.251SS..EExtended strand (participates in β ladder)trans-112.7152.9-179.900000112N188 I207 V208N188-A219 PolarHBondContact ND2-O 2.95Å; I207-A219 HydrophobicContact CG2-CB 3.84Å; V208-A219 WeakPolarHBondContact O-CA 3.37Å
220T97.5Very high96.1Very high15 Ų1547.5 Ų47.59%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-151.7165.3170.8-167.30000110.9V183 V208 I210 V225V183-T220 HydrophobicContact CG1-CG2 4.35Å; V183-T220 HydrophobicContact CG2-CG2 4.08Å; V208-T220 PolarHBondContact N-O 3.23Å; V208-T220 PolarHBondContact O-N 3.22Å; I210-T220 HydrophobicContact CD1-CG2 3.72Å; T220-V225 HydrophobicContact CG2-CG2 3.43Å; T220-V225 VanDerWaalsContact CG2-CG2 3.43Å
221R96.7Very high95.9Very high111 Ų11148.9 Ų48.942%0.41927%0.274SS..EExtended strand (participates in β ladder)trans-69.2143.4173.5-64-177.2-178.1-176.90.8110F205 D206 N223 Y224F205-R221 HydrophobicContact CB-CG 4.16Å; D206-R221 WeakPolarHBondContact O-CA 3.33Å; R221-N223 PolarHBondContact O-N 2.89Å; R221-Y224 HydrophobicContact CB-CD2 4.06Å; R221-Y224 HydrophobicContact CB-CE2 4.37Å; R221-Y224 PolarHBondContact O-N 3.5Å
222M95.8Very high95.5Very high25 Ų2553.6 Ų53.612%0.12329%0.292CS..G310 helixtrans-51.2-36.2178.4-175-177.870.900113.3K125 N157 F175 D206 V208 Y224 V225K125-M222 PolarHBondContact NZ-O 2.85Å; N157-M222 VanDerWaalsContact ND2-CE 3.35Å; N157-M222 WeakPolarHBondContact ND2-CE 3.45Å; F175-M222 HydrophobicContact CE1-CG 4.03Å; F175-M222 HydrophobicContact CE1-SD 4.13Å; F175-M222 HydrophobicContact CZ-CG 4.04Å; D206-M222 HydrophobicContact CB-CB 4.04Å; D206-M222 HydrophobicContact CB-SD 4.4Å; D206-M222 PolarHBondContact O-N 3.26Å; V208-M222 HydrophobicContact CG2-CB 3.94Å; V208-M222 HydrophobicContact CG2-CG 4.28Å; M222-Y224 PolarHBondContact O-N 2.77Å; M222-V225 PolarHBondContact O-N 2.75Å; M222-V225 VanDerWaalsContact O-N 3.11Å
223N94.7Very high95.5Very high94 Ų9460.2 Ų60.250%0.50332%0.323SS..G310 helixtrans-61.5-30.3178.5-72.1-14.9000113.3K125 R221K125-N223 PolarHBondContact NZ-O 3.36Å; R221-N223 PolarHBondContact O-N 2.89Å
224Y96.7Very high95.5Very high77 Ų7757.6 Ų57.630%0.30230%0.303SS..G310 helixtrans-87.3-4.7179.2-59.5-31.5000113.6V183 V184 R221 M222V183-Y224 CarbonylContact C-O 3.58Å; V183-Y224 WeakPolarHBondContact CA-O 3.45Å; V184-Y224 WeakPolarHBondContact CG2-O 3.47Å; V184-Y224 PolarHBondContact N-O 3.31Å; R221-Y224 HydrophobicContact CB-CD2 4.06Å; R221-Y224 HydrophobicContact CB-CE2 4.37Å; R221-Y224 PolarHBondContact O-N 3.5Å; M222-Y224 PolarHBondContact O-N 2.77Å
225V97.1Very high95.6Very high0 Ų057.1 Ų57.10%029%0.292CS..EExtended strand (participates in β ladder)trans-87.3131.4176.8-171.90000109.9K125 F175 C181 V195 V208 I210 T220 M222 I227K125-V225 WeakPolarHBondContact CD-O 3.49Å; K125-V225 WeakPolarHBondContact CE-O 3.31Å; K125-V225 PolarHBondContact NZ-O 2.85Å; F175-V225 HydrophobicContact CE2-CB 4.1Å; F175-V225 HydrophobicContact CE2-CG1 3.76Å; C181-V225 HydrophobicContact CB-CG1 3.48Å; C181-V225 VanDerWaalsContact CB-CG1 3.48Å; V195-V225 HydrophobicContact CG2-CG1 4.49Å; V208-V225 HydrophobicContact CB-CG2 3.86Å; V208-V225 HydrophobicContact CG1-CG2 4.11Å; V208-V225 HydrophobicContact CG2-CG2 3.98Å; I210-V225 HydrophobicContact CD1-CG2 4.16Å; T220-V225 HydrophobicContact CG2-CG2 3.43Å; T220-V225 VanDerWaalsContact CG2-CG2 3.43Å; M222-V225 PolarHBondContact O-N 2.75Å; M222-V225 VanDerWaalsContact O-N 3.11Å; V225-I227 HydrophobicContact CG1-CD1 4.36Å
226F97.8Very high95.6Very high3 Ų355.2 Ų55.21%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-124.8121.2174.6-168.3-68.8000108.9F86 M87 L123 K125 H142 C181 M182 V184 I228F86-F226 AromaticContact CD1-CD2 3.93Å; F86-F226 HydrophobicContact CD1-CD2 3.93Å; F86-F226 AromaticContact CD1-CE2 3.96Å; F86-F226 HydrophobicContact CD1-CE2 3.96Å; F86-F226 HydrophobicContact CD1-CG 4.5Å; F86-F226 HydrophobicContact CE1-CB 4.17Å; F86-F226 HydrophobicContact CE1-CD1 4Å; F86-F226 AromaticContact CE1-CD2 3.5Å; F86-F226 HydrophobicContact CE1-CD2 3.5Å; F86-F226 HydrophobicContact CE1-CE1 4.25Å; F86-F226 AromaticContact CE1-CE2 3.74Å; F86-F226 HydrophobicContact CE1-CE2 3.74Å; F86-F226 AromaticContact CE1-CG 3.64Å; F86-F226 HydrophobicContact CE1-CG 3.64Å; F86-F226 HydrophobicContact CE1-CZ 4.12Å; F86-F226 HydrophobicContact CZ-CG 4.47Å; M87-F226 HydrophobicContact CG-CE1 4.36Å; M87-F226 HydrophobicContact CG-CE2 4.49Å; M87-F226 HydrophobicContact CG-CZ 4.02Å; L123-F226 HydrophobicContact CB-CE1 3.76Å; L123-F226 HydrophobicContact CB-CZ 3.97Å; L123-F226 HydrophobicContact CD1-CE1 4.35Å; K125-F226 HydrophobicContact CB-CD2 3.54Å; K125-F226 HydrophobicContact CB-CE2 3.45Å; K125-F226 VanDerWaalsContact CB-CE2 3.45Å; K125-F226 HydrophobicContact CB-CG 4.32Å; K125-F226 HydrophobicContact CB-CZ 4.14Å; K125-F226 HydrophobicContact CD-CD2 4.34Å; K125-F226 VanDerWaalsContact N-CE2 3.34Å; H142-F226 AromaticContact CE1-CE2 3.79Å; H142-F226 AromaticContact ND1-CE2 3.94Å; H142-F226 AromaticContact NE2-CE2 3.92Å; C181-F226 CarbonylContact C-O 3.52Å; C181-F226 WeakPolarHBondContact CA-O 3.13Å; C181-F226 WeakPolarHBondContact CB-O 3.3Å; M182-F226 PolarHBondContact N-O 2.87Å; M182-F226 WeakPolarHBondContact O-CB 3.36Å; M182-F226 PolarHBondContact O-N 3.33Å; V184-F226 HydrophobicContact CG1-CB 3.76Å; V184-F226 HydrophobicContact CG1-CD2 4.33Å; V184-F226 HydrophobicContact CG1-CG 4.36Å; F226-I228 HydrophobicContact CD1-CG2 3.7Å; F226-I228 HydrophobicContact CE1-CG2 4.19Å
227I97.8Very high95.6Very high0 Ų052.7 Ų52.70%026%0.263CS..EExtended strand (participates in β ladder)trans-77.8128.1179.8-58-56.5000109.4S159 L173 F175 N179 C181 V195 V225S159-I227 WeakPolarHBondContact CB-O 3.23Å; S159-I227 PolarHBondContact OG-N 3.34Å; S159-I227 PolarHBondContact OG-O 3.2Å; S159-I227 VanDerWaalsContact OG-O 3.07Å; L173-I227 HydrophobicContact CB-CB 4.42Å; L173-I227 HydrophobicContact CB-CG2 3.64Å; L173-I227 HydrophobicContact CD1-CG2 4.12Å; L173-I227 HydrophobicContact CG-CG2 4.47Å; F175-I227 HydrophobicContact CB-CG1 4.29Å; F175-I227 HydrophobicContact CD2-CD1 3.58Å; F175-I227 HydrophobicContact CD2-CG1 3.65Å; F175-I227 HydrophobicContact CE2-CD1 4.04Å; F175-I227 HydrophobicContact CG-CG1 4.47Å; N179-I227 HydrophobicContact CB-CG2 4.2Å; C181-I227 HydrophobicContact CB-CD1 3.76Å; V195-I227 HydrophobicContact CG2-CD1 3.95Å; V225-I227 HydrophobicContact CG1-CD1 4.36Å
228I97.3Very high95.5Very high0 Ų049.7 Ų49.70%024%0.243CC..EExtended strand (participates in β ladder)trans-120.5-8.4-175.958.7160.9000113.3L123 L180 M182 V192 F226 M235 I236 L238L123-I228 HydrophobicContact CD1-CB 4.18Å; L123-I228 HydrophobicContact CD1-CG2 4.3Å; L180-I228 HydrophobicContact CB-CG1 4.21Å; L180-I228 HydrophobicContact CD2-CD1 3.75Å; L180-I228 HydrophobicContact CD2-CG1 3.97Å; L180-I228 HydrophobicContact CG-CD1 4.01Å; L180-I228 HydrophobicContact CG-CG1 3.93Å; L180-I228 WeakPolarHBondContact O-CG1 3.25Å; L180-I228 PolarHBondContact O-N 3.13Å; M182-I228 HydrophobicContact CB-CD1 4.27Å; M182-I228 HydrophobicContact CB-CG2 4.05Å; V192-I228 HydrophobicContact CG1-CD1 3.93Å; V192-I228 HydrophobicContact CG2-CD1 4.24Å; F226-I228 HydrophobicContact CD1-CG2 3.7Å; F226-I228 HydrophobicContact CE1-CG2 4.19Å; I228-M235 WeakPolarHBondContact O-CB 2.97Å; I228-M235 PolarHBondContact O-N 3.28Å; I228-I236 HydrophobicContact CB-CD1 4.28Å; I228-I236 HydrophobicContact CB-CG1 4.39Å; I228-I236 HydrophobicContact CG2-CD1 4.05Å; I228-L238 HydrophobicContact CD1-CD2 3.85Å
229G95.6Very high95.3Very high0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-161.7159.4-174.600000114.5N179 L180 Q233N179-G229 WeakPolarHBondContact CB-O 3.44Å; L180-G229 PolarHBondContact N-O 3.47Å; L180-G229 PolarHBondContact O-N 3.36Å; G229-Q233 CarbonylContact C-O 3.54Å; G229-Q233 WeakPolarHBondContact CA-O 3.39Å
230K93.8Very high95Very high96 Ų9658 Ų5842%0.41727%0.266SS..EExtended strand (participates in β ladder)trans-91.9124.8170-60.4-178.3-177.6166.70107.8D171 L173 R232 Q233D171-K230 IonicContact OD1-NZ 2.77Å; D171-K230 PolarHBondContact OD1-NZ 3.2Å; D171-K230 IonicContact OD2-NZ 3.64Å; D171-K230 PolarHBondContact OD2-NZ 3.39Å; L173-K230 HydrophobicContact CD2-CD 4.11Å; L173-K230 HydrophobicContact CD2-CG 3.42Å; L173-K230 VanDerWaalsContact CD2-CG 3.42Å; K230-R232 PolarHBondContact O-N 3.44Å; K230-Q233 PolarHBondContact N-O 3.25Å; K230-Q233 PolarHBondContact O-N 3.13Å
231G92.8Very high94.7Very high30 Ų3058.9 Ų58.931%0.30928%0.279SS..THydrogen-bonded Turntrans59-130.7-17500000112.3G178 N179 L180 L194G178-G231 VanDerWaalsContact O-CA 3.3Å; G178-G231 WeakPolarHBondContact O-CA 3.43Å; N179-G231 PolarHBondContact OD1-N 3.03Å; N179-G231 VanDerWaalsContact OD1-N 3.14Å; L180-G231 WeakPolarHBondContact CB-O 3.45Å; L180-G231 PolarHBondContact N-O 3.14Å; L194-G231 WeakPolarHBondContact CD2-O 3.47Å
232R90.7Very high94.5Very high215 Ų21558.4 Ų58.481%0.81129%0.285SS*.THydrogen-bonded Turntrans-88-6.3177.4-69.1-178178.5177.70.4114.4L194 K230 P234L194-R232 HydrophobicContact CD1-CG 4.09Å; L194-R232 HydrophobicContact CD2-CG 4.23Å; K230-R232 PolarHBondContact O-N 3.44Å; R232-P234 WeakPolarHBondContact O-CD 3.36Å
233Q93.7Very high94.4Very high147 Ų14757.4 Ų57.469%0.68728%0.281SS*.EExtended strand (participates in β ladder)trans-91.7114.6-174.8-172.2176.16.500110.4G229 K230G229-Q233 CarbonylContact C-O 3.54Å; G229-Q233 WeakPolarHBondContact CA-O 3.39Å; K230-Q233 PolarHBondContact N-O 3.25Å; K230-Q233 PolarHBondContact O-N 3.13Å
234P94.8Very high94.4Very high50 Ų5054.2 Ų54.233%0.32527%0.265SS..EExtended strand (participates in β ladder)trans-73.3141173.531.8-34.1000110.5L180 R232 I236 L238L180-P234 HydrophobicContact CD2-CB 3.7Å; L180-P234 HydrophobicContact CD2-CG 4.38Å; R232-P234 WeakPolarHBondContact O-CD 3.36Å; P234-I236 WeakPolarHBondContact CB-O 3.35Å; P234-I236 PolarHBondContact O-N 2.91Å; P234-L238 HydrophobicContact CB-CD1 4.4Å; P234-L238 HydrophobicContact CB-CG 4.42Å; P234-L238 HydrophobicContact CG-CD1 4.42Å
235M94.5Very high94.3Very high50 Ų5054.7 Ų54.725%0.24627%0.268CS..SBendtrans-79-1.9171.1-62.4-62.1-72.200112.4Y121 L123 M161 L173 I228Y121-M235 WeakPolarHBondContact CE2-O 3.42Å; Y121-M235 PolarHBondContact OH-O 3.03Å; L123-M235 HydrophobicContact CD1-CB 4.27Å; L123-M235 HydrophobicContact CD2-CB 4.29Å; M161-M235 HydrophobicContact SD-CE 3.84Å; L173-M235 HydrophobicContact CD1-CG 3.95Å; L173-M235 HydrophobicContact CD2-CG 3.97Å; L173-M235 HydrophobicContact CG-CG 4.49Å; I228-M235 WeakPolarHBondContact O-CB 2.97Å; I228-M235 PolarHBondContact O-N 3.28Å
236I95Very high94.1Very high6 Ų657.3 Ų57.33%0.03128%0.282CS..SBendtrans-136.6149.9-175.764.5172.2000110.4M87 E118 Y121 L123 I228 P234 L238M87-I236 HydrophobicContact CE-CB 4.49Å; M87-I236 HydrophobicContact CE-CD1 3.71Å; M87-I236 HydrophobicContact CE-CG2 3.66Å; M87-I236 HydrophobicContact SD-CD1 3.6Å; E118-I236 WeakPolarHBondContact OE1-CA 3.42Å; Y121-I236 HydrophobicContact CE2-CG2 4.36Å; L123-I236 HydrophobicContact CD1-CG2 3.65Å; L123-I236 HydrophobicContact CG-CG2 3.81Å; I228-I236 HydrophobicContact CB-CD1 4.28Å; I228-I236 HydrophobicContact CB-CG1 4.39Å; I228-I236 HydrophobicContact CG2-CD1 4.05Å; P234-I236 WeakPolarHBondContact CB-O 3.35Å; P234-I236 PolarHBondContact O-N 2.91Å; I236-L238 HydrophobicContact CG1-CD2 4.35Å
237S95.2Very high94Very high35 Ų3559.3 Ų59.325%0.24530%0.296CS..PPolyproline II helixtrans-64.9134.9168.469.10000110.2H112 I114 E118H112-S237 PolarHBondContact CD2-OG 3.07Å; H112-S237 VanDerWaalsContact NE2-CB 3.28Å; H112-S237 WeakPolarHBondContact NE2-CB 3.35Å; H112-S237 PolarHBondContact NE2-OG 3.37Å; I114-S237 WeakPolarHBondContact CG2-OG 3.48Å; E118-S237 PolarHBondContact OE1-N 3.33Å; E118-S237 PolarHBondContact OE1-OG 3.14Å; E118-S237 VanDerWaalsContact OE2-CB 3.29Å; E118-S237 WeakPolarHBondContact OE2-CB 3.28Å; E118-S237 PolarHBondContact OE2-OG 3.25Å
238L94.4Very high93.8Very high31 Ų3165.2 Ų65.216%0.16233%0.332CS..PPolyproline II helixtrans-98146.2-179.8-67.3179000110.9H112 M182 V192 I228 P234 I236 N242H112-L238 PolarHBondContact CE1-O 2.95Å; M182-L238 HydrophobicContact CE-CD2 3.81Å; V192-L238 HydrophobicContact CG1-CD1 4.27Å; V192-L238 HydrophobicContact CG2-CD2 4.25Å; I228-L238 HydrophobicContact CD1-CD2 3.85Å; P234-L238 HydrophobicContact CB-CD1 4.4Å; P234-L238 HydrophobicContact CB-CG 4.42Å; P234-L238 HydrophobicContact CG-CD1 4.42Å; I236-L238 HydrophobicContact CG1-CD2 4.35Å; L238-N242 HydrophobicContact CD1-CB 4.42Å
239P93.2Very high93.7Very high10 Ų1071.4 Ų71.47%0.06536%0.363CS..PPolyproline II helixtrans-65.6165.3173.829.3-35.2000111.3V102 A110 G241 N242V102-P239 HydrophobicContact CG1-CG 4.12Å; A110-P239 HydrophobicContact CB-CB 4.29Å; P239-G241 PolarHBondContact O-N 3.21Å; P239-N242 PolarHBondContact O-N 3.33Å
240R90.7Very high93.6Very high222 Ų22275.4 Ų75.484%0.83838%0.381SS*.THydrogen-bonded Turntrans-48.7126.4-180-174.6-179.6-176.2-176.92.7111.5
241G90.6Very high93.5Very high35 Ų3573.7 Ų73.736%0.36138%0.375SS..THydrogen-bonded Turntrans95.91.3-178.800000114.2P239 G243 V244P239-G241 PolarHBondContact O-N 3.21Å; G241-G243 PolarHBondContact O-N 3.23Å; G241-V244 PolarHBondContact O-N 3.01Å
242N93.1Very high93.5Very high101 Ų10180.1 Ų80.154%0.5439%0.39SS..THydrogen-bonded Turntrans53.427170.4-60.1-16000114.4L238 P239 V244L238-N242 HydrophobicContact CD1-CB 4.42Å; P239-N242 PolarHBondContact O-N 3.33Å; N242-V244 VanDerWaalsContact C-N 3.3Å; N242-V244 PolarHBondContact O-N 3.25Å
243G93Very high93.7Very high4 Ų476.2 Ų76.24%0.04138%0.383CS..THydrogen-bonded Turntrans73.314.2-17700000115.3R191 V192 G241R191-G243 VanDerWaalsContact CA-O 3.23Å; R191-G243 WeakPolarHBondContact CA-O 3.27Å; V192-G243 PolarHBondContact N-O 3.49Å; G241-G243 PolarHBondContact O-N 3.23Å
244V95.2Very high93.6Very high27 Ų2774.6 Ų74.616%0.16437%0.373CS..  trans-87.7118.4174.3-175.50000109.8S213 A214 G241 N242S213-V244 WeakPolarHBondContact OG-CG2 3.47Å; A214-V244 HydrophobicContact CB-CG1 3.91Å; G241-V244 PolarHBondContact O-N 3.01Å; N242-V244 VanDerWaalsContact C-N 3.3Å; N242-V244 PolarHBondContact O-N 3.25Å
245K94.3Very high93.5Very high87 Ų8779.5 Ų79.538%0.37839%0.385SS..  trans-89.4111178.7-175.7177.9179.3-178.40109.6V105 R191V105-K245 HydrophobicContact CB-CB 4.22Å; V105-K245 HydrophobicContact CG1-CB 4.49Å; R191-K245 HydrophobicContact CG-CB 3.95Å; R191-K245 HydrophobicContact CG-CD 4.44Å
246L93.7Very high93.4Very high55 Ų5581.3 Ų81.329%0.28840%0.395SS..  trans-69.3155.7174.8-60.2177.4000111.4E250 E251 K254L246-E250 WeakPolarHBondContact CA-OE2 3.47Å; L246-E250 HydrophobicContact CB-CB 3.94Å; L246-E250 WeakPolarHBondContact CB-OE2 3.44Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.15Å; L246-E251 HydrophobicContact CB-CG 3.95Å; L246-K254 HydrophobicContact CD1-CD 3.9Å
247S93.9Very high93.4Very high45 Ų4584 Ų8432%0.31542%0.419SS..  trans-64.5158.9171.1720000111.1M249 E250 E251S247-M249 PolarHBondContact O-N 2.89Å; S247-E250 WeakPolarHBondContact CB-OE1 3.47Å; S247-E250 PolarHBondContact N-OE2 3.34Å; S247-E250 PolarHBondContact O-N 3Å; S247-E250 WeakPolarHBondContact OG-CB 3.46Å; S247-E250 VanDerWaalsContact OG-CG 3.25Å; S247-E250 WeakPolarHBondContact OG-CG 3.45Å; S247-E250 PolarHBondContact OG-N 3.15Å; S247-E250 PolarHBondContact OG-OE1 2.98Å; S247-E251 PolarHBondContact O-N 2.91Å
248T93.6Very high93.2Very high123 Ų12385.4 Ų85.476%0.75543%0.429SS*.Hα-helixtrans-59.9-33.3178.450.40000112R252T248-R252 WeakPolarHBondContact O-CB 3.37Å; T248-R252 PolarHBondContact O-N 2.88Å; T248-R252 VanDerWaalsContact O-N 3.1Å
249M95.1Very high92.9Very high131 Ų13190.6 Ų90.665%0.64545%0.45SS*.Hα-helixtrans-69.3-48.4175.5-65.1-168-70.300111.5S247 E251 R252 M253S247-M249 PolarHBondContact O-N 2.89Å; M249-E251 PolarHBondContact O-N 3.3Å; M249-R252 WeakPolarHBondContact O-CB 3.23Å; M249-R252 PolarHBondContact O-N 3.3Å; M249-R252 VanDerWaalsContact O-N 3.15Å; M249-M253 WeakPolarHBondContact O-CG 3.41Å; M249-M253 PolarHBondContact O-N 2.91Å
250E93.8Very high92.6Very high83 Ų8398 Ų9839%0.38848%0.481SS..Hα-helixtrans-60.2-44175.9-76.4153-135.900112.3L246 S247 R252 M253 K254L246-E250 WeakPolarHBondContact CA-OE2 3.47Å; L246-E250 HydrophobicContact CB-CB 3.94Å; L246-E250 WeakPolarHBondContact CB-OE2 3.44Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.15Å; S247-E250 WeakPolarHBondContact CB-OE1 3.47Å; S247-E250 PolarHBondContact N-OE2 3.34Å; S247-E250 PolarHBondContact O-N 3Å; S247-E250 WeakPolarHBondContact OG-CB 3.46Å; S247-E250 VanDerWaalsContact OG-CG 3.25Å; S247-E250 WeakPolarHBondContact OG-CG 3.45Å; S247-E250 PolarHBondContact OG-N 3.15Å; S247-E250 PolarHBondContact OG-OE1 2.98Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 PolarHBondContact O-N 2.95Å; E250-M253 PolarHBondContact O-N 3.4Å; E250-K254 VanDerWaalsContact O-CB 3.3Å; E250-K254 WeakPolarHBondContact O-CB 3.3Å; E250-K254 PolarHBondContact O-N 3.15Å
251E92.2Very high92.2Very high60 Ų6090.2 Ų90.228%0.2847%0.47SS..Hα-helixtrans-59.4-41.9175.1-80-156.4161.400111.4K106 L246 S247 M249 R255K106-E251 WeakPolarHBondContact CE-OE1 3.45Å; K106-E251 WeakPolarHBondContact CE-OE2 3.4Å; K106-E251 IonicContact NZ-OE1 3.56Å; K106-E251 PolarHBondContact NZ-OE1 2.89Å; K106-E251 IonicContact NZ-OE2 2.95Å; K106-E251 PolarHBondContact NZ-OE2 2.82Å; L246-E251 HydrophobicContact CB-CG 3.95Å; S247-E251 PolarHBondContact O-N 2.91Å; M249-E251 PolarHBondContact O-N 3.3Å; E251-R255 VanDerWaalsContact O-CB 3.3Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 PolarHBondContact O-N 3.1Å
252R93.3Very high91.6Very high165 Ų16597.2 Ų97.262%0.62349%0.491SS*.Hα-helixtrans-62.6-48.5177.2178.7-177.8176.6-177-0.5110.7T248 M249 E250 R255 L256T248-R252 WeakPolarHBondContact O-CB 3.37Å; T248-R252 PolarHBondContact O-N 2.88Å; T248-R252 VanDerWaalsContact O-N 3.1Å; M249-R252 WeakPolarHBondContact O-CB 3.23Å; M249-R252 PolarHBondContact O-N 3.3Å; M249-R252 VanDerWaalsContact O-N 3.15Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 PolarHBondContact O-N 2.95Å; R252-R255 PolarHBondContact O-N 3.46Å; R252-L256 HydrophobicContact CG-CD1 4.13Å; R252-L256 WeakPolarHBondContact O-CG 3.39Å; R252-L256 PolarHBondContact O-N 2.87Å
253M95.1Very high90.3Very high134 Ų13498.2 Ų98.266%0.6650%0.501SS*.Hα-helixtrans-60.8-48.3179.3-70.2-175.6178.200111.2M249 E250 R255 L256 A257M249-M253 WeakPolarHBondContact O-CG 3.41Å; M249-M253 PolarHBondContact O-N 2.91Å; E250-M253 PolarHBondContact O-N 3.4Å; M253-R255 VanDerWaalsContact C-N 3.31Å; M253-R255 PolarHBondContact O-N 3.35Å; M253-L256 PolarHBondContact O-N 3.42Å; M253-L256 VanDerWaalsContact O-N 3.15Å; M253-A257 WeakPolarHBondContact O-CB 3.41Å; M253-A257 PolarHBondContact O-N 2.65Å
254K91.8Very high88.2Confident112 Ų112103.8 Ų103.849%0.48756%0.558SS.*Hα-helixtrans-57.9-41.8176.3-174.8174.7-176171.30112.4L246 E250 S258L246-K254 HydrophobicContact CD1-CD 3.9Å; E250-K254 VanDerWaalsContact O-CB 3.3Å; E250-K254 WeakPolarHBondContact O-CB 3.3Å; E250-K254 PolarHBondContact O-N 3.15Å; K254-S258 WeakPolarHBondContact O-CB 3.26Å; K254-S258 PolarHBondContact O-N 3.44Å; K254-S258 PolarHBondContact O-OG 3.12Å
255R91.5Very high87.8Confident154 Ų154107.6 Ų107.658%0.58158%0.577SS**Hα-helixtrans-65.4-40.8176.5-172.5179.366.4176.20.2112.4E251 R252 M253 S258 K259E251-R255 VanDerWaalsContact O-CB 3.3Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 PolarHBondContact O-N 3.1Å; R252-R255 PolarHBondContact O-N 3.46Å; M253-R255 VanDerWaalsContact C-N 3.31Å; M253-R255 PolarHBondContact O-N 3.35Å; R255-S258 WeakPolarHBondContact CA-OG 2.98Å; R255-S258 PolarHBondContact O-OG 3.01Å; R255-K259 PolarHBondContact O-N 3.34Å
256L93.7Very high87.5Confident87 Ų87108.7 Ų108.746%0.45559%0.588SS.*Hα-helixtrans-68.2-43.9177.1-69.9171.6000111.5R252 M253 S258 K259 K260R252-L256 HydrophobicContact CG-CD1 4.13Å; R252-L256 WeakPolarHBondContact O-CG 3.39Å; R252-L256 PolarHBondContact O-N 2.87Å; M253-L256 PolarHBondContact O-N 3.42Å; M253-L256 VanDerWaalsContact O-N 3.15Å; L256-S258 PolarHBondContact O-N 3.24Å; L256-K259 PolarHBondContact O-N 2.98Å; L256-K260 PolarHBondContact O-N 3.43Å; L256-K260 VanDerWaalsContact O-N 3.11Å
257A93.7Very high87.1Confident63 Ų63111.7 Ų111.752%0.52161%0.605SS.*Hα-helixtrans-59.6-4717700000112M253 K259 K260 G261M253-A257 WeakPolarHBondContact O-CB 3.41Å; M253-A257 PolarHBondContact O-N 2.65Å; A257-K259 VanDerWaalsContact C-N 3.28Å; A257-K259 PolarHBondContact O-N 3.01Å; A257-K260 PolarHBondContact O-N 2.74Å; A257-G261 PolarHBondContact O-N 3.16Å; A257-G261 VanDerWaalsContact O-N 3.14Å
258S90.5Very high86.7Confident65 Ų65115.6 Ų115.646%0.45562%0.622SS.*Hα-helixtrans-66.4-23.6177.256.10000114.8K254 R255 L256 K262K254-S258 WeakPolarHBondContact O-CB 3.26Å; K254-S258 PolarHBondContact O-N 3.44Å; K254-S258 PolarHBondContact O-OG 3.12Å; R255-S258 WeakPolarHBondContact CA-OG 2.98Å; R255-S258 PolarHBondContact O-OG 3.01Å; L256-S258 PolarHBondContact O-N 3.24Å; S258-K262 WeakPolarHBondContact O-CG 3.14Å
259K89.6Confident86.3Confident139 Ų139115.1 Ų115.160%0.60461%0.613SS**Hα-helixtrans-74.2-46.2171.6-80.5-171.9173.1-165.30110.9R255 L256 A257 G261 K262 T263R255-K259 PolarHBondContact O-N 3.34Å; L256-K259 PolarHBondContact O-N 2.98Å; A257-K259 VanDerWaalsContact C-N 3.28Å; A257-K259 PolarHBondContact O-N 3.01Å; K259-G261 VanDerWaalsContact C-N 3.31Å; K259-G261 PolarHBondContact O-N 3.38Å; K259-K262 PolarHBondContact O-N 3.11Å; K259-T263 PolarHBondContact O-N 2.77Å; K259-T263 PolarHBondContact O-OG1 3.14Å
260K87.1Confident85.7Confident165 Ų165114.1 Ų114.172%0.71761%0.611SS**Hα-helixtrans-56.5-43.9178.6-71.9-174.9175.6-170.20112L256 A257 K262 T263 G264L256-K260 PolarHBondContact O-N 3.43Å; L256-K260 VanDerWaalsContact O-N 3.11Å; A257-K260 PolarHBondContact O-N 2.74Å; K260-K262 PolarHBondContact O-N 2.97Å; K260-T263 PolarHBondContact O-N 3.3Å; K260-T263 PolarHBondContact O-OG1 3.27Å; K260-G264 PolarHBondContact O-N 2.95Å
261G80.8Confident85.1Confident60 Ų60116.3 Ų116.362%0.61963%0.627SS**Hα-helixtrans-75.6-0.1178.400000116.1A257 K259A257-G261 PolarHBondContact O-N 3.16Å; A257-G261 VanDerWaalsContact O-N 3.14Å; K259-G261 VanDerWaalsContact C-N 3.31Å; K259-G261 PolarHBondContact O-N 3.38Å
262K78.8Confident84.6Confident181 Ų181120.6 Ų120.679%0.78765%0.654SS**Hα-helixtrans-102.9-14.4170.8-76.3-174.6176.6-163.70112.9S258 K259 K260S258-K262 WeakPolarHBondContact O-CG 3.14Å; K259-K262 PolarHBondContact O-N 3.11Å; K260-K262 PolarHBondContact O-N 2.97Å
263T65Low83.8Confident123 Ų123116.9 Ų116.976%0.75566%0.656SS**Hα-helixtrans-103-4-177.4480000112.8K259 K260K259-T263 PolarHBondContact O-N 2.77Å; K259-T263 PolarHBondContact O-OG1 3.14Å; K260-T263 PolarHBondContact O-N 3.3Å; K260-T263 PolarHBondContact O-OG1 3.27Å
264G48.6Very low82.8Confident120 Ų120115.4 Ų115.4100%1.23766%0.656SS**  trans-113.10163.600000108.7K260K260-G264 PolarHBondContact O-N 2.95Å

Retrieved 264 of 264 residues in 470.5 ms (Link to these results)

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