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Dynein axonemal light chain 1

Part of the multisubunit axonemal ATPase complexes that generate the force for cilia motility and govern beat frequency (By similarity). Component of the outer arm dynein (ODA). May be involved in a mechanosensory feedback mechanism controlling ODA activity based on external conformational cues by tethering the outer arm dynein heavy chain (DNAH5) to the microtubule within the axoneme (By similarity). Important for ciliary function in the airways and for the function of the cilia that produce the nodal flow essential for the determination of the left-right asymmetry (By similarity).

AlphaFold DB , UniProt , Accession A0A096MJZ0, Species RAT (Rattus norvegicus, Rat), Gene Dnal1, Length 190 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
1M60.2Low91.2Very high245 Ų24572.2 Ų72.2100%1.20737%0.372SS*.  0137.80-62.7-175.9-154.500107.8
2A75.3Confident91.8Very high78 Ų7872.1 Ų72.165%0.64538%0.383SS*.PPolyproline II helixtrans-64.1140.617300000109.2A4 P35A2-A4 PolarHBondContact O-N 2.91Å; A2-P35 HydrophobicContact CB-CG 3.68Å
3K89.2Confident92.2Very high169 Ų16975 Ų7574%0.73539%0.385SS*.PPolyproline II helixtrans-64.2133.8176.1-170.6-178.2177.7-170.20108.8
4A95.4Very high92.6Very high20 Ų2071.2 Ų71.217%0.16536%0.364CS..PPolyproline II helixtrans-54.8145.6174.600000111.3A2 T6 P36 E38A2-A4 PolarHBondContact O-N 2.91Å; A4-T6 PolarHBondContact O-N 2.85Å; A4-P36 WeakPolarHBondContact CB-O 3.38Å; A4-E38 HydrophobicContact CB-CB 4.01Å; A4-E38 HydrophobicContact CB-CG 3.67Å
5T97.3Very high93Very high4 Ų471.7 Ų71.73%0.02536%0.364CS..PPolyproline II helixtrans-68.7126.9177.3-61.70000108.9E9 A10 R13 Q33 P35 P36 I37T5-E9 HydrophobicContact CG2-CB 3.98Å; T5-A10 HydrophobicContact CG2-CB 3.95Å; T5-R13 PolarHBondContact OG1-NH1 3.03Å; T5-Q33 HydrophobicContact CG2-CB 4.32Å; T5-Q33 HydrophobicContact CG2-CG 4.35Å; T5-P35 WeakPolarHBondContact CB-O 3.32Å; T5-P35 PolarHBondContact OG1-O 2.63Å; T5-P36 PolarHBondContact N-O 3.26Å; T5-P36 VanDerWaalsContact N-O 3.1Å; T5-I37 HydrophobicContact CG2-CG1 4.46Å; T5-I37 WeakPolarHBondContact O-CA 3.2Å; T5-I37 WeakPolarHBondContact O-CG1 3.08Å
6T97.6Very high93.3Very high40 Ų4077.4 Ų77.425%0.24539%0.389CS..PPolyproline II helixtrans-76159.7172.661.20000110.8A4 K8 E9 A10A4-T6 PolarHBondContact O-N 2.85Å; T6-K8 PolarHBondContact O-N 3.16Å; T6-E9 WeakPolarHBondContact CB-OE2 3.47Å; T6-E9 PolarHBondContact N-OE2 3.19Å; T6-E9 PolarHBondContact O-N 2.91Å; T6-E9 WeakPolarHBondContact OG1-CB 3.47Å; T6-E9 WeakPolarHBondContact OG1-CG 3.36Å; T6-E9 PolarHBondContact OG1-N 3.24Å; T6-E9 VanDerWaalsContact OG1-N 3.11Å; T6-E9 PolarHBondContact OG1-OE2 3.14Å; T6-A10 WeakPolarHBondContact O-CB 3.38Å; T6-A10 PolarHBondContact O-N 2.95Å
7I97.9Very high93.5Very high0 Ų083.5 Ų83.50%041%0.412CS..Hα-helixtrans-60.3-39.3173.2-60.1-63.7000109.7E9 A10 L11 L30 I37 D41 L44 L55I7-E9 PolarHBondContact O-N 3.14Å; I7-A10 PolarHBondContact O-N 2.71Å; I7-L11 HydrophobicContact CG2-CD1 3.72Å; I7-L11 HydrophobicContact CG2-CG 4Å; I7-L11 WeakPolarHBondContact O-CB 3.49Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 3.2Å; I7-L30 HydrophobicContact CG2-CD1 4.27Å; I7-I37 HydrophobicContact CD1-CD1 3.99Å; I7-I37 HydrophobicContact CD1-CG2 3.9Å; I7-D41 WeakPolarHBondContact CB-OD2 3.29Å; I7-D41 PolarHBondContact N-OD2 3.19Å; I7-L44 HydrophobicContact CD1-CD2 4.31Å; I7-L44 HydrophobicContact CD1-CG 4.5Å; I7-L44 HydrophobicContact CG1-CD2 4.43Å; I7-L44 HydrophobicContact CG1-CG 4.22Å; I7-L44 HydrophobicContact CG2-CD2 3.61Å; I7-L44 HydrophobicContact CG2-CG 3.87Å; I7-L55 HydrophobicContact CD1-CD2 3.84Å
8K97.1Very high93.7Very high149 Ų14981.8 Ų81.865%0.64841%0.407SS*.Hα-helixtrans-56-47.9176.6-172.5177.1177.1179.70112.3T6 L11 S12T6-K8 PolarHBondContact O-N 3.16Å; K8-L11 PolarHBondContact O-N 3.21Å; K8-S12 WeakPolarHBondContact O-CB 3.09Å; K8-S12 PolarHBondContact O-N 3.33Å
9E97.6Very high93.8Very high78 Ų7881.4 Ų81.436%0.36443%0.426SS..Hα-helixtrans-66.7-42.4178.2-72.3158.1160.800111.5T5 T6 I7 L11 S12 R13T5-E9 HydrophobicContact CG2-CB 3.98Å; T6-E9 WeakPolarHBondContact CB-OE2 3.47Å; T6-E9 PolarHBondContact N-OE2 3.19Å; T6-E9 PolarHBondContact O-N 2.91Å; T6-E9 WeakPolarHBondContact OG1-CB 3.47Å; T6-E9 WeakPolarHBondContact OG1-CG 3.36Å; T6-E9 PolarHBondContact OG1-N 3.24Å; T6-E9 VanDerWaalsContact OG1-N 3.11Å; T6-E9 PolarHBondContact OG1-OE2 3.14Å; I7-E9 PolarHBondContact O-N 3.14Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-N 3.07Å; E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.09Å
10A98.2Very high93.9Very high1 Ų182.5 Ų82.51%0.00843%0.429CS..Hα-helixtrans-61.9-42177.100000111.8T5 T6 I7 R13 W14 L30 Q33 I37T5-A10 HydrophobicContact CG2-CB 3.95Å; T6-A10 WeakPolarHBondContact O-CB 3.38Å; T6-A10 PolarHBondContact O-N 2.95Å; I7-A10 PolarHBondContact O-N 2.71Å; A10-R13 PolarHBondContact O-N 3Å; A10-W14 VanDerWaalsContact O-CB 3.3Å; A10-W14 WeakPolarHBondContact O-CB 3.19Å; A10-W14 PolarHBondContact O-N 3.02Å; A10-L30 HydrophobicContact CB-CB 4.47Å; A10-L30 HydrophobicContact CB-CD1 4.37Å; A10-L30 HydrophobicContact CB-CD2 4.05Å; A10-Q33 HydrophobicContact CB-CG 4.14Å; A10-I37 HydrophobicContact CB-CD1 4.01Å
11L97.9Very high94.1Very high10 Ų1084.7 Ų84.75%0.05244%0.435CS..Hα-helixtrans-64.5-42.9175.2-73.7174.1000111.8I7 K8 E9 R13 W14 E15 P22 I28 L30 L47I7-L11 HydrophobicContact CG2-CD1 3.72Å; I7-L11 HydrophobicContact CG2-CG 4Å; I7-L11 WeakPolarHBondContact O-CB 3.49Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 3.2Å; K8-L11 PolarHBondContact O-N 3.21Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 2.82Å; L11-R13 VanDerWaalsContact C-N 3.35Å; L11-R13 PolarHBondContact O-N 2.89Å; L11-W14 WeakPolarHBondContact O-CB 3.41Å; L11-W14 PolarHBondContact O-N 3.25Å; L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.84Å; L11-P22 HydrophobicContact CB-CG 4.4Å; L11-P22 HydrophobicContact CD2-CB 4.03Å; L11-P22 HydrophobicContact CD2-CG 4.29Å; L11-I28 HydrophobicContact CD2-CG2 4Å; L11-L30 HydrophobicContact CD2-CD1 3.9Å; L11-L30 HydrophobicContact CD2-CD2 4.11Å; L11-L30 HydrophobicContact CG-CD1 4.17Å; L11-L47 HydrophobicContact CD1-CD2 4.16Å; L11-L47 HydrophobicContact CD2-CD1 4.37Å; L11-L47 HydrophobicContact CD2-CD2 3.87Å
12S97.5Very high95.8Very high71 Ų7173.7 Ų73.750%0.49738%0.381SS..Hα-helixtrans-60.7-43.5176.5-174.20000111.8K8 E9 W14 E15 E16K8-S12 WeakPolarHBondContact O-CB 3.09Å; K8-S12 PolarHBondContact O-N 3.33Å; E9-S12 PolarHBondContact O-N 3.07Å; S12-W14 VanDerWaalsContact C-N 3.34Å; S12-E15 PolarHBondContact O-N 2.82Å; S12-E16 WeakPolarHBondContact O-CB 3.35Å; S12-E16 PolarHBondContact O-N 2.81Å
13R97.6Very high96.7Very high110 Ų11072.2 Ų72.242%0.41537%0.367SS..Hα-helixtrans-65.8-38.1175.4-68.9171.3-177177.30.2111.8T5 E9 A10 L11 K17 I34T5-R13 PolarHBondContact OG1-NH1 3.03Å; E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.09Å; A10-R13 PolarHBondContact O-N 3Å; L11-R13 VanDerWaalsContact C-N 3.35Å; L11-R13 PolarHBondContact O-N 2.89Å; R13-K17 VanDerWaalsContact O-CB 3.28Å; R13-K17 WeakPolarHBondContact O-CB 3.48Å; R13-K17 PolarHBondContact O-N 3.11Å; R13-I34 PolarHBondContact NH1-O 3.13Å; R13-I34 VanDerWaalsContact NH1-O 3.15Å
14W98.1Very high97.1Very high22 Ų2269 Ų698%0.08336%0.357CS..Hα-helixtrans-66.3-43.2177.3179.791.3000111.6A10 L11 S12 K17 T18 Q20 P22 A25 E27 I28 K29 L30A10-W14 VanDerWaalsContact O-CB 3.3Å; A10-W14 WeakPolarHBondContact O-CB 3.19Å; A10-W14 PolarHBondContact O-N 3.02Å; L11-W14 WeakPolarHBondContact O-CB 3.41Å; L11-W14 PolarHBondContact O-N 3.25Å; S12-W14 VanDerWaalsContact C-N 3.34Å; W14-K17 PolarHBondContact O-N 3.37Å; W14-T18 HydrophobicContact CD2-CG2 4.18Å; W14-T18 HydrophobicContact CG-CG2 4.47Å; W14-T18 HydrophobicContact CZ2-CG2 4Å; W14-T18 WeakPolarHBondContact O-CB 3.34Å; W14-T18 WeakPolarHBondContact O-CG2 3.4Å; W14-T18 PolarHBondContact O-N 3.34Å; W14-T18 PolarHBondContact O-OG1 2.82Å; W14-Q20 HydrophobicContact CH2-CB 3.71Å; W14-Q20 HydrophobicContact CZ3-CB 3.97Å; W14-Q20 VanDerWaalsContact CZ3-O 3.3Å; W14-Q20 WeakPolarHBondContact CZ3-O 3.27Å; W14-P22 HydrophobicContact CE3-CG 4.01Å; W14-P22 HydrophobicContact CZ3-CB 4.38Å; W14-P22 HydrophobicContact CZ3-CG 4.09Å; W14-A25 HydrophobicContact CH2-CB 3.4Å; W14-A25 VanDerWaalsContact CH2-CB 3.4Å; W14-A25 HydrophobicContact CZ2-CB 4.16Å; W14-A25 HydrophobicContact CZ3-CB 4.12Å; W14-E27 WeakPolarHBondContact CZ2-O 3.26Å; W14-I28 HydrophobicContact CH2-CG1 4.38Å; W14-I28 HydrophobicContact CZ2-CG1 4.25Å; W14-K29 VanDerWaalsContact CD1-O 3.26Å; W14-L30 HydrophobicContact CB-CD2 3.89Å; W14-L30 HydrophobicContact CG-CD2 4.2Å
15E97.7Very high97.2Very high78 Ų7868.2 Ų68.236%0.36435%0.351SS..Hα-helixtrans-61.8-47.1175175.4166.2-147.800110.8L11 S12 K17 T18 G19 Q20 P22L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.84Å; S12-E15 PolarHBondContact O-N 2.82Å; E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 2.87Å; E15-T18 PolarHBondContact O-N 3.26Å; E15-G19 WeakPolarHBondContact O-CA 3.45Å; E15-G19 PolarHBondContact O-N 2.95Å; E15-Q20 WeakPolarHBondContact CG-O 3.37Å; E15-P22 HydrophobicContact CB-CG 4.22Å
16E97.6Very high97.2Very high164 Ų16476 Ų7677%0.76638%0.38SS*.Hα-helixtrans-58.2-42.8175.1-175.7-178.6-178.200112.1S12S12-E16 WeakPolarHBondContact O-CB 3.35Å; S12-E16 PolarHBondContact O-N 2.81Å
17K97.2Very high97.2Very high181 Ų18177.3 Ų77.379%0.78738%0.383SS*.Hα-helixtrans-71.2-35-178.8-178.5177.1178179.70113.4R13 W14 E15R13-K17 VanDerWaalsContact O-CB 3.28Å; R13-K17 WeakPolarHBondContact O-CB 3.48Å; R13-K17 PolarHBondContact O-N 3.11Å; W14-K17 PolarHBondContact O-N 3.37Å; E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 2.87Å
18T96.9Very high97.2Very high53 Ų5377.3 Ų77.333%0.32538%0.383SS..Hα-helixtrans-102.1-19.2-171.760.60000113.5W14 E15 Q20W14-T18 HydrophobicContact CD2-CG2 4.18Å; W14-T18 HydrophobicContact CG-CG2 4.47Å; W14-T18 HydrophobicContact CZ2-CG2 4Å; W14-T18 WeakPolarHBondContact O-CB 3.34Å; W14-T18 WeakPolarHBondContact O-CG2 3.4Å; W14-T18 PolarHBondContact O-N 3.34Å; W14-T18 PolarHBondContact O-OG1 2.82Å; E15-T18 PolarHBondContact O-N 3.26Å; T18-Q20 PolarHBondContact O-N 3.25Å; T18-Q20 PolarHBondContact OG1-N 3.42Å
19G96.3Very high97.3Very high73 Ų7374.5 Ų74.575%0.75337%0.371SS*.  trans68.48.8-170.700000114E15E15-G19 WeakPolarHBondContact O-CA 3.45Å; E15-G19 PolarHBondContact O-N 2.95Å
20Q96.1Very high97.3Very high104 Ų10470.8 Ų70.849%0.48635%0.353SS..  trans-103.1140.5-177.6-64.518028.100110.9W14 E15 T18 P22W14-Q20 HydrophobicContact CH2-CB 3.71Å; W14-Q20 HydrophobicContact CZ3-CB 3.97Å; W14-Q20 VanDerWaalsContact CZ3-O 3.3Å; W14-Q20 WeakPolarHBondContact CZ3-O 3.27Å; E15-Q20 WeakPolarHBondContact CG-O 3.37Å; T18-Q20 PolarHBondContact O-N 3.25Å; T18-Q20 PolarHBondContact OG1-N 3.42Å; Q20-P22 WeakPolarHBondContact O-CD 3.49Å
21K96.4Very high97.2Very high129 Ų12976.4 Ų76.456%0.56138%0.375SS*.  trans-70.7127169.9-69.7-176.8179.71790109.7S23 D24 A25K21-S23 PolarHBondContact O-N 3.49Å; K21-S23 VanDerWaalsContact O-N 3.13Å; K21-D24 PolarHBondContact O-N 2.77Å; K21-A25 PolarHBondContact O-N 3.28Å
22P96.2Very high97.2Very high13 Ų1378.1 Ų78.18%0.08439%0.391CS..THydrogen-bonded Turntrans-57.2-30179.7-27.634.4000114.7L11 W14 E15 Q20 D24 A25 I28 L47L11-P22 HydrophobicContact CB-CG 4.4Å; L11-P22 HydrophobicContact CD2-CB 4.03Å; L11-P22 HydrophobicContact CD2-CG 4.29Å; W14-P22 HydrophobicContact CE3-CG 4.01Å; W14-P22 HydrophobicContact CZ3-CB 4.38Å; W14-P22 HydrophobicContact CZ3-CG 4.09Å; E15-P22 HydrophobicContact CB-CG 4.22Å; Q20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-D24 PolarHBondContact O-N 3.44Å; P22-A25 PolarHBondContact O-N 2.82Å; P22-I28 HydrophobicContact CB-CD1 4.37Å; P22-I28 WeakPolarHBondContact O-CD1 3.5Å; P22-L47 HydrophobicContact CB-CD2 3.69Å
23S95.4Very high97.2Very high48 Ų4876.3 Ų76.334%0.33638%0.375SS..THydrogen-bonded Turntrans-64-27.1177.657.60000113.6K21 T46 N49K21-S23 PolarHBondContact O-N 3.49Å; K21-S23 VanDerWaalsContact O-N 3.13Å; S23-T46 WeakPolarHBondContact CA-O 3.31Å; S23-N49 PolarHBondContact O-ND2 2.99Å
24D96.1Very high97.1Very high101 Ų10178 Ų7854%0.5439%0.39SS..THydrogen-bonded Turntrans-101.7-12.5-172-54.1-18.5000111.3K21 P22K21-D24 PolarHBondContact O-N 2.77Å; P22-D24 PolarHBondContact O-N 3.44Å
25A97.5Very high97Very high3 Ų378.7 Ų78.73%0.02540%0.398CS..  trans-79.8132.7-175.200000112.4W14 K21 P22 I28 N49 C50W14-A25 HydrophobicContact CH2-CB 3.4Å; W14-A25 VanDerWaalsContact CH2-CB 3.4Å; W14-A25 HydrophobicContact CZ2-CB 4.16Å; W14-A25 HydrophobicContact CZ3-CB 4.12Å; K21-A25 PolarHBondContact O-N 3.28Å; P22-A25 PolarHBondContact O-N 2.82Å; A25-I28 HydrophobicContact CB-CD1 4.21Å; A25-I28 HydrophobicContact CB-CG1 3.9Å; A25-N49 CarbonylContact O-C 3.31Å; A25-C50 WeakPolarHBondContact O-CA 3.13Å
26R97.9Very high97Very high167 Ų16777.1 Ų77.163%0.6339%0.394SS*.SBendtrans-83.5-30174.3-64.5-175.8-178.8-157.88.4113E51 K52R26-E51 HydrophobicContact CB-CG 4.46Å; R26-E51 WeakPolarHBondContact CD-OE1 3.41Å; R26-E51 IonicContact CZ-OE1 2.83Å; R26-E51 IonicContact NE-OE1 2.9Å; R26-E51 IonicContact NH1-OE1 3.39Å; R26-E51 PolarHBondContact NH1-OE1 3.48Å; R26-E51 PolarHBondContact O-N 2.79Å; R26-K52 PolarHBondContact O-N 3.37Å
27E98.2Very high97.1Very high69 Ų6969.3 Ų69.332%0.32236%0.358SS..EExtended strand (participates in β ladder)trans-123123.7177.8-175.8-179.4-151.900110.1W14 K29 K52W14-E27 WeakPolarHBondContact CZ2-O 3.26Å; E27-K29 WeakPolarHBondContact OE1-CE 3.06Å; E27-K29 IonicContact OE1-NZ 3.82Å; E27-K29 PolarHBondContact OE1-NZ 3.19Å; E27-K29 VanDerWaalsContact OE2-CE 3.23Å; E27-K29 WeakPolarHBondContact OE2-CE 3.23Å; E27-K29 IonicContact OE2-NZ 3.86Å; E27-K29 PolarHBondContact OE2-NZ 3.46Å; E27-K52 WeakPolarHBondContact CA-O 3.48Å; E27-K52 HydrophobicContact CB-CB 4.4Å; E27-K52 HydrophobicContact CG-CB 4.09Å; E27-K52 HydrophobicContact CG-CD 4.01Å; E27-K52 HydrophobicContact CG-CG 4.06Å; E27-K52 VanDerWaalsContact OE1-CD 3.29Å; E27-K52 WeakPolarHBondContact OE1-CD 3.43Å; E27-K52 WeakPolarHBondContact OE1-CE 3.4Å; E27-K52 IonicContact OE1-NZ 3.68Å; E27-K52 PolarHBondContact OE1-NZ 3.46Å
28I98.3Very high97.1Very high0 Ų065.3 Ų65.30%034%0.342CS..EExtended strand (participates in β ladder)trans-124.2129.7-178.6-64.9176.2000110L11 W14 P22 A25 L30 L47 C50 K52 L53 S54L11-I28 HydrophobicContact CD2-CG2 4Å; W14-I28 HydrophobicContact CH2-CG1 4.38Å; W14-I28 HydrophobicContact CZ2-CG1 4.25Å; P22-I28 HydrophobicContact CB-CD1 4.37Å; P22-I28 WeakPolarHBondContact O-CD1 3.5Å; A25-I28 HydrophobicContact CB-CD1 4.21Å; A25-I28 HydrophobicContact CB-CG1 3.9Å; I28-L30 HydrophobicContact CG2-CD1 4.23Å; I28-L30 HydrophobicContact CG2-CD2 3.93Å; I28-L30 HydrophobicContact CG2-CG 3.81Å; I28-L47 HydrophobicContact CD1-CB 4.17Å; I28-L47 HydrophobicContact CD1-CD1 3.76Å; I28-L47 HydrophobicContact CD1-CD2 3.34Å; I28-L47 HydrophobicContact CD1-CG 3.91Å; I28-C50 HydrophobicContact CD1-CB 4.24Å; I28-K52 PolarHBondContact N-O 3.4Å; I28-L53 HydrophobicContact CB-CD1 4.25Å; I28-L53 HydrophobicContact CG2-CD1 4.14Å; I28-S54 PolarHBondContact O-N 2.99Å
29K98.1Very high97.1Very high89 Ų8970.3 Ų70.339%0.38736%0.36SS..EExtended strand (participates in β ladder)trans-119.294.7-171.7-69.9173.5-173.5162.60111W14 E27 Y31W14-K29 VanDerWaalsContact CD1-O 3.26Å; E27-K29 WeakPolarHBondContact OE1-CE 3.06Å; E27-K29 IonicContact OE1-NZ 3.82Å; E27-K29 PolarHBondContact OE1-NZ 3.19Å; E27-K29 VanDerWaalsContact OE2-CE 3.23Å; E27-K29 WeakPolarHBondContact OE2-CE 3.23Å; E27-K29 IonicContact OE2-NZ 3.86Å; E27-K29 PolarHBondContact OE2-NZ 3.46Å; K29-Y31 HydrophobicContact CB-CD1 3.98Å; K29-Y31 HydrophobicContact CB-CE1 3.71Å; K29-Y31 HydrophobicContact CD-CE1 4.09Å; K29-Y31 HydrophobicContact CG-CD1 4.38Å; K29-Y31 HydrophobicContact CG-CE1 3.97Å
30L98.1Very high97.2Very high0 Ų067.4 Ų67.40%033%0.326CS..  trans-111.426.2178.7-50.7-177.4000112.3I7 A10 L11 W14 I28 I37 L53 S54 L55 N58I7-L30 HydrophobicContact CG2-CD1 4.27Å; A10-L30 HydrophobicContact CB-CB 4.47Å; A10-L30 HydrophobicContact CB-CD1 4.37Å; A10-L30 HydrophobicContact CB-CD2 4.05Å; L11-L30 HydrophobicContact CD2-CD1 3.9Å; L11-L30 HydrophobicContact CD2-CD2 4.11Å; L11-L30 HydrophobicContact CG-CD1 4.17Å; W14-L30 HydrophobicContact CB-CD2 3.89Å; W14-L30 HydrophobicContact CG-CD2 4.2Å; I28-L30 HydrophobicContact CG2-CD1 4.23Å; I28-L30 HydrophobicContact CG2-CD2 3.93Å; I28-L30 HydrophobicContact CG2-CG 3.81Å; L30-I37 HydrophobicContact CB-CD1 4.26Å; L30-L53 HydrophobicContact CD1-CD1 4.46Å; L30-S54 CarbonylContact C-O 3.15Å; L30-S54 VanDerWaalsContact C-O 3.31Å; L30-S54 VanDerWaalsContact CA-O 3.3Å; L30-S54 WeakPolarHBondContact CA-O 3.21Å; L30-S54 PolarHBondContact N-O 3.24Å; L30-L55 HydrophobicContact CB-CD2 3.85Å; L30-L55 HydrophobicContact CD1-CD2 4.16Å; L30-N58 PolarHBondContact O-ND2 3.12Å
31Y96.6Very high97.2Very high119 Ų11964.3 Ų64.347%0.46731%0.313SS..  trans-74.3159.1178.361.1-103.3000111.8K29 Q33 S54 S56K29-Y31 HydrophobicContact CB-CD1 3.98Å; K29-Y31 HydrophobicContact CB-CE1 3.71Å; K29-Y31 HydrophobicContact CD-CE1 4.09Å; K29-Y31 HydrophobicContact CG-CD1 4.38Å; K29-Y31 HydrophobicContact CG-CE1 3.97Å; Y31-Q33 PolarHBondContact O-N 3.06Å; Y31-Q33 PolarHBondContact O-NE2 3.08Å; Y31-Q33 VanDerWaalsContact O-NE2 3.14Å; Y31-S54 PolarHBondContact N-O 3.47Å; Y31-S56 CarbonylContact C-O 3.38Å; Y31-S56 WeakPolarHBondContact CA-O 3.42Å; Y31-S56 WeakPolarHBondContact CB-O 3.27Å
32A97.2Very high97.2Very high47 Ų4761.2 Ų61.239%0.38831%0.312SS..SBendtrans50.346.5170.600000114.8S56 T57A32-S56 PolarHBondContact N-O 3.33Å; A32-T57 WeakPolarHBondContact CA-O 3.39Å; A32-T57 HydrophobicContact CB-CG2 4.1Å; A32-T57 PolarHBondContact N-O 3.3Å
33Q97.7Very high97.2Very high32 Ų3262 Ų6215%0.1532%0.318CS..  trans-68148176.6-62.4-57.5-66.100111.1T5 A10 Y31 P35 P36 I37 N58T5-Q33 HydrophobicContact CG2-CB 4.32Å; T5-Q33 HydrophobicContact CG2-CG 4.35Å; A10-Q33 HydrophobicContact CB-CG 4.14Å; Y31-Q33 PolarHBondContact O-N 3.06Å; Y31-Q33 PolarHBondContact O-NE2 3.08Å; Y31-Q33 VanDerWaalsContact O-NE2 3.14Å; Q33-P35 VanDerWaalsContact C-C 3.49Å; Q33-P35 CarbonylContact C-O 3.56Å; Q33-P35 WeakPolarHBondContact CB-O 3.5Å; Q33-P35 CarbonylContact O-C 3.52Å; Q33-P35 VanDerWaalsContact O-C 3.24Å; Q33-P36 VanDerWaalsContact O-CA 3.26Å; Q33-P36 WeakPolarHBondContact O-CA 3.4Å; Q33-I37 HydrophobicContact CB-CD1 4.44Å; Q33-I37 HydrophobicContact CB-CG1 4.14Å; Q33-I37 HydrophobicContact CG-CD1 3.53Å; Q33-I37 HydrophobicContact CG-CG1 3.73Å; Q33-N58 PolarHBondContact N-OD1 2.99Å
34I95.9Very high97.3Very high145 Ų14559.7 Ų59.774%0.74430%0.302SS*.SBendtrans-127114.6174-56.9177.8000108R13R13-I34 PolarHBondContact NH1-O 3.13Å; R13-I34 VanDerWaalsContact NH1-O 3.15Å
35P96.6Very high97.3Very high38 Ų3858.1 Ų58.125%0.24730%0.298CS..SBendcis-56.3160.3-14.7-22.935.9000113.2A2 T5 Q33A2-P35 HydrophobicContact CB-CG 3.68Å; T5-P35 WeakPolarHBondContact CB-O 3.32Å; T5-P35 PolarHBondContact OG1-O 2.63Å; Q33-P35 VanDerWaalsContact C-C 3.49Å; Q33-P35 CarbonylContact C-O 3.56Å; Q33-P35 WeakPolarHBondContact CB-O 3.5Å; Q33-P35 CarbonylContact O-C 3.52Å; Q33-P35 VanDerWaalsContact O-C 3.24Å
36P97.7Very high97.2Very high44 Ų4461.4 Ų61.429%0.28632%0.318SS..PPolyproline II helixtrans-66.5158.4-177.927.9-35.2000112.6A4 T5 Q33 C59A4-P36 WeakPolarHBondContact CB-O 3.38Å; T5-P36 PolarHBondContact N-O 3.26Å; T5-P36 VanDerWaalsContact N-O 3.1Å; Q33-P36 VanDerWaalsContact O-CA 3.26Å; Q33-P36 WeakPolarHBondContact O-CA 3.4Å; P36-C59 HydrophobicContact CB-CB 4.33Å; P36-C59 HydrophobicContact CG-CB 4.4Å
37I98.3Very high97.1Very high0 Ų053.5 Ų53.50%029%0.288CS..PPolyproline II helixtrans-77.1126.6167.7-63159.3000108.6T5 I7 A10 L30 Q33 K39 L55 N58 C59 I60T5-I37 HydrophobicContact CG2-CG1 4.46Å; T5-I37 WeakPolarHBondContact O-CA 3.2Å; T5-I37 WeakPolarHBondContact O-CG1 3.08Å; I7-I37 HydrophobicContact CD1-CD1 3.99Å; I7-I37 HydrophobicContact CD1-CG2 3.9Å; A10-I37 HydrophobicContact CB-CD1 4.01Å; L30-I37 HydrophobicContact CB-CD1 4.26Å; Q33-I37 HydrophobicContact CB-CD1 4.44Å; Q33-I37 HydrophobicContact CB-CG1 4.14Å; Q33-I37 HydrophobicContact CG-CD1 3.53Å; Q33-I37 HydrophobicContact CG-CG1 3.73Å; I37-K39 WeakPolarHBondContact CG2-O 3.48Å; I37-L55 HydrophobicContact CD1-CD2 3.88Å; I37-N58 HydrophobicContact CB-CB 4.14Å; I37-N58 PolarHBondContact N-OD1 3.47Å; I37-N58 WeakPolarHBondContact O-CB 3.41Å; I37-C59 CarbonylContact O-C 3.38Å; I37-C59 WeakPolarHBondContact O-CA 3.36Å; I37-C59 PolarHBondContact O-N 3.37Å; I37-I60 HydrophobicContact CB-CG1 4.48Å; I37-I60 HydrophobicContact CG2-CD1 4.27Å; I37-I60 HydrophobicContact CG2-CG1 4.01Å; I37-I60 PolarHBondContact O-N 3Å
38E97.6Very high96.9Very high98 Ų9852.5 Ų52.546%0.45829%0.292SS..  trans-101.4-24.1175.6-71.2176.1-170.200112.9A4 C59 I60A4-E38 HydrophobicContact CB-CB 4.01Å; A4-E38 HydrophobicContact CB-CG 3.67Å; E38-C59 HydrophobicContact CG-CB 4.02Å; E38-I60 WeakPolarHBondContact O-CA 3.49Å
39K97.3Very high96.8Very high158 Ų15856 Ų5669%0.68731%0.311SS*.  trans-139.5131.9-174.5-63.4-177.6-175.6175.70111.2I37I37-K39 WeakPolarHBondContact CG2-O 3.48Å
40M97.7Very high96.8Very high11 Ų1151.8 Ų51.85%0.05429%0.292CS..  trans-71.1130.3164.1-63.417277.200108.6L44 L55 I60 I63 A64 N65 L66M40-L44 HydrophobicContact CB-CD1 3.92Å; M40-L44 HydrophobicContact CE-CD1 3.41Å; M40-L44 VanDerWaalsContact CE-CD1 3.41Å; M40-L44 HydrophobicContact CG-CD1 4.19Å; M40-L55 HydrophobicContact CE-CD1 3.9Å; M40-L55 HydrophobicContact CG-CD1 4.37Å; M40-L55 HydrophobicContact SD-CD1 4.44Å; M40-I60 HydrophobicContact CG-CD1 4.15Å; M40-I60 HydrophobicContact CG-CG2 3.99Å; M40-I60 HydrophobicContact SD-CG2 4.13Å; M40-I63 HydrophobicContact CE-CG2 4.5Å; M40-I63 HydrophobicContact SD-CB 4.49Å; M40-I63 HydrophobicContact SD-CG2 4.33Å; M40-A64 VanDerWaalsContact CE-O 3.23Å; M40-A64 WeakPolarHBondContact CE-O 3.3Å; M40-N65 PolarHBondContact O-ND2 3.12Å; M40-L66 HydrophobicContact CE-CD1 4.5Å; M40-L66 HydrophobicContact CE-CD2 3.53Å; M40-L66 HydrophobicContact CE-CG 3.96Å
41D96.5Very high96.8Very high39 Ų3954.8 Ų54.821%0.20931%0.307CS..  trans-122.2172.9-179.171.556000112I7 S43 L44 N65I7-D41 WeakPolarHBondContact CB-OD2 3.29Å; I7-D41 PolarHBondContact N-OD2 3.19Å; D41-S43 PolarHBondContact O-N 3.08Å; D41-S43 WeakPolarHBondContact OD1-CB 3.3Å; D41-S43 PolarHBondContact OD1-N 3.06Å; D41-S43 PolarHBondContact OD1-OG 2.8Å; D41-L44 PolarHBondContact O-N 3.49Å; D41-N65 WeakPolarHBondContact CA-ND2 3.46Å; D41-N65 VanDerWaalsContact O-CB 3.32Å; D41-N65 WeakPolarHBondContact O-CB 3.4Å
42A96.7Very high96.9Very high65 Ų6551.7 Ų51.754%0.53730%0.295SS..G310 helixtrans-61.1-14.5-174.600000113.9L44 S45A42-L44 PolarHBondContact O-N 3.32Å; A42-L44 VanDerWaalsContact O-N 3.14Å; A42-S45 WeakPolarHBondContact O-CB 3.46Å; A42-S45 PolarHBondContact O-N 3.14Å; A42-S45 PolarHBondContact O-OG 3.1Å
43S96.9Very high97Very high29 Ų2949.4 Ų49.420%0.20328%0.277CS..G310 helixtrans-62.6-22.4178.2-45.30000112.4D41 S45 T46D41-S43 PolarHBondContact O-N 3.08Å; D41-S43 WeakPolarHBondContact OD1-CB 3.3Å; D41-S43 PolarHBondContact OD1-N 3.06Å; D41-S43 PolarHBondContact OD1-OG 2.8Å; S43-S45 PolarHBondContact O-N 3.3Å; S43-T46 WeakPolarHBondContact O-CB 3.38Å; S43-T46 WeakPolarHBondContact O-CG2 3.47Å; S43-T46 PolarHBondContact O-N 2.92Å; S43-T46 PolarHBondContact O-OG1 3.23Å
44L97.6Very high97Very high0 Ų048.3 Ų48.30%027%0.273CS..G310 helixtrans-59.8-25171.7-71-179.9000113I7 M40 D41 A42 T46 L47 L53 N65 L66 L69I7-L44 HydrophobicContact CD1-CD2 4.31Å; I7-L44 HydrophobicContact CD1-CG 4.5Å; I7-L44 HydrophobicContact CG1-CD2 4.43Å; I7-L44 HydrophobicContact CG1-CG 4.22Å; I7-L44 HydrophobicContact CG2-CD2 3.61Å; I7-L44 HydrophobicContact CG2-CG 3.87Å; M40-L44 HydrophobicContact CB-CD1 3.92Å; M40-L44 HydrophobicContact CE-CD1 3.41Å; M40-L44 VanDerWaalsContact CE-CD1 3.41Å; M40-L44 HydrophobicContact CG-CD1 4.19Å; D41-L44 PolarHBondContact O-N 3.49Å; A42-L44 PolarHBondContact O-N 3.32Å; A42-L44 VanDerWaalsContact O-N 3.14Å; L44-T46 PolarHBondContact O-N 3.39Å; L44-T46 VanDerWaalsContact O-N 3.14Å; L44-L47 HydrophobicContact CD2-CD1 3.81Å; L44-L47 WeakPolarHBondContact O-CB 3.34Å; L44-L47 WeakPolarHBondContact O-CG 3.27Å; L44-L47 PolarHBondContact O-N 3.18Å; L44-L53 HydrophobicContact CD2-CD1 4.5Å; L44-L53 HydrophobicContact CD2-CD2 3.99Å; L44-N65 WeakPolarHBondContact CB-O 3.28Å; L44-L66 HydrophobicContact CD1-CD2 4.41Å; L44-L69 HydrophobicContact CB-CD1 4.16Å; L44-L69 WeakPolarHBondContact O-CD1 3.41Å
45S95Very high97.2Very high68 Ų6841.4 Ų41.448%0.47624%0.237SC..G310 helixtrans-68.4-11.8179.275.30000113.5A42 S43 L47A42-S45 WeakPolarHBondContact O-CB 3.46Å; A42-S45 PolarHBondContact O-N 3.14Å; A42-S45 PolarHBondContact O-OG 3.1Å; S43-S45 PolarHBondContact O-N 3.3Å; S45-L47 VanDerWaalsContact C-N 3.26Å
46T94.5Very high97.2Very high72 Ų7240.6 Ų40.644%0.44223%0.232SC..G310 helixtrans-77.9-13.2176.965.20000112.8S23 S43 L44 A48S23-T46 WeakPolarHBondContact CA-O 3.31Å; S43-T46 WeakPolarHBondContact O-CB 3.38Å; S43-T46 WeakPolarHBondContact O-CG2 3.47Å; S43-T46 PolarHBondContact O-N 2.92Å; S43-T46 PolarHBondContact O-OG1 3.23Å; L44-T46 PolarHBondContact O-N 3.39Å; L44-T46 VanDerWaalsContact O-N 3.14Å; T46-A48 PolarHBondContact O-N 3.49Å
47L96.8Very high97.3Very high0 Ų041.9 Ų41.90%024%0.239CC..  trans-8651.9-172.5-50.5-174.6000112.2L11 P22 I28 L44 S45 N49 C50 L53 L69L11-L47 HydrophobicContact CD1-CD2 4.16Å; L11-L47 HydrophobicContact CD2-CD1 4.37Å; L11-L47 HydrophobicContact CD2-CD2 3.87Å; P22-L47 HydrophobicContact CB-CD2 3.69Å; I28-L47 HydrophobicContact CD1-CB 4.17Å; I28-L47 HydrophobicContact CD1-CD1 3.76Å; I28-L47 HydrophobicContact CD1-CD2 3.34Å; I28-L47 HydrophobicContact CD1-CG 3.91Å; L44-L47 HydrophobicContact CD2-CD1 3.81Å; L44-L47 WeakPolarHBondContact O-CB 3.34Å; L44-L47 WeakPolarHBondContact O-CG 3.27Å; L44-L47 PolarHBondContact O-N 3.18Å; S45-L47 VanDerWaalsContact C-N 3.26Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 3.32Å; L47-C50 HydrophobicContact CB-CB 3.75Å; L47-C50 VanDerWaalsContact O-CB 3.31Å; L47-C50 WeakPolarHBondContact O-CB 3.18Å; L47-C50 PolarHBondContact O-N 3.02Å; L47-C50 VanDerWaalsContact O-N 3.1Å; L47-L53 HydrophobicContact CD1-CD1 4.14Å; L47-L69 HydrophobicContact CB-CD2 4.28Å; L47-L69 HydrophobicContact CB-CG 4.22Å; L47-L69 HydrophobicContact CD1-CD2 4.41Å
48A93.7Very high97.3Very high48 Ų4842.3 Ų42.340%0.39724%0.242SC..THydrogen-bonded Turntrans-61.1-32.9-17000000113.8T46 N71T46-A48 PolarHBondContact O-N 3.49Å; A48-N71 PolarHBondContact O-ND2 3.35Å
49N96.9Very high97.3Very high74 Ų7439.5 Ų39.540%0.39623%0.233SC..THydrogen-bonded Turntrans-95.81.9179.7-65.5-46000113.7S23 A25 L47 E51S23-N49 PolarHBondContact O-ND2 2.99Å; A25-N49 CarbonylContact O-C 3.31Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 3.32Å; N49-E51 PolarHBondContact O-N 3.22Å
50C98.2Very high97.3Very high0 Ų032 Ų320%020%0.2CC..  trans-71.1119.4-174.5-174.30000111A25 I28 L47 K52 L69 N71 L72A25-C50 WeakPolarHBondContact O-CA 3.13Å; I28-C50 HydrophobicContact CD1-CB 4.24Å; L47-C50 HydrophobicContact CB-CB 3.75Å; L47-C50 VanDerWaalsContact O-CB 3.31Å; L47-C50 WeakPolarHBondContact O-CB 3.18Å; L47-C50 PolarHBondContact O-N 3.02Å; L47-C50 VanDerWaalsContact O-N 3.1Å; C50-K52 VanDerWaalsContact SG-C 3.55Å; C50-K52 PolarHBondContact SG-O 3.1Å; C50-K52 VanDerWaalsContact SG-O 3.33Å; C50-L69 HydrophobicContact CB-CD2 4.37Å; C50-N71 CarbonylContact O-C 3.54Å; C50-L72 WeakPolarHBondContact O-CA 3.48Å; C50-L72 PolarHBondContact O-N 3.05Å
51E98.6Very high97.3Very high64 Ų6437 Ų3730%0.29922%0.223SC..SBendtrans-96.8-29.2174.2-64.2176.4-156.200111.4R26 N49 N71 R73 I74R26-E51 HydrophobicContact CB-CG 4.46Å; R26-E51 WeakPolarHBondContact CD-OE1 3.41Å; R26-E51 IonicContact CZ-OE1 2.83Å; R26-E51 IonicContact NE-OE1 2.9Å; R26-E51 IonicContact NH1-OE1 3.39Å; R26-E51 PolarHBondContact NH1-OE1 3.48Å; R26-E51 PolarHBondContact O-N 2.79Å; N49-E51 PolarHBondContact O-N 3.22Å; E51-N71 WeakPolarHBondContact CA-O 3.35Å; E51-N71 HydrophobicContact CG-CB 4.32Å; E51-R73 PolarHBondContact O-N 3.4Å; E51-I74 PolarHBondContact O-N 2.96Å
52K98.6Very high97.4Very high53 Ų5342.6 Ų42.623%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-133.6116.3179.1178.3171.5175.5-159.90112.2R26 E27 I28 C50 I74R26-K52 PolarHBondContact O-N 3.37Å; E27-K52 WeakPolarHBondContact CA-O 3.48Å; E27-K52 HydrophobicContact CB-CB 4.4Å; E27-K52 HydrophobicContact CG-CB 4.09Å; E27-K52 HydrophobicContact CG-CD 4.01Å; E27-K52 HydrophobicContact CG-CG 4.06Å; E27-K52 VanDerWaalsContact OE1-CD 3.29Å; E27-K52 WeakPolarHBondContact OE1-CD 3.43Å; E27-K52 WeakPolarHBondContact OE1-CE 3.4Å; E27-K52 IonicContact OE1-NZ 3.68Å; E27-K52 PolarHBondContact OE1-NZ 3.46Å; I28-K52 PolarHBondContact N-O 3.4Å; C50-K52 VanDerWaalsContact SG-C 3.55Å; C50-K52 PolarHBondContact SG-O 3.1Å; C50-K52 VanDerWaalsContact SG-O 3.33Å; K52-I74 WeakPolarHBondContact CA-O 3.33Å; K52-I74 HydrophobicContact CB-CB 4.09Å; K52-I74 HydrophobicContact CD-CB 4.31Å; K52-I74 HydrophobicContact CD-CD1 4.19Å; K52-I74 HydrophobicContact CD-CG2 4.18Å; K52-I74 HydrophobicContact CG-CB 3.89Å; K52-I74 HydrophobicContact CG-CG2 3.96Å
53L98.6Very high97.4Very high0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-112.6122.5177.5179.461.7000110.8I28 L30 L44 L47 L55 L66 L69 L72 I74 L75 S76I28-L53 HydrophobicContact CB-CD1 4.25Å; I28-L53 HydrophobicContact CG2-CD1 4.14Å; L30-L53 HydrophobicContact CD1-CD1 4.46Å; L44-L53 HydrophobicContact CD2-CD1 4.5Å; L44-L53 HydrophobicContact CD2-CD2 3.99Å; L47-L53 HydrophobicContact CD1-CD1 4.14Å; L53-L55 HydrophobicContact CD1-CG 4.37Å; L53-L55 HydrophobicContact CD2-CD1 3.76Å; L53-L55 HydrophobicContact CD2-CG 4.39Å; L53-L55 HydrophobicContact CG-CD1 4.09Å; L53-L55 HydrophobicContact CG-CG 4.19Å; L53-L66 HydrophobicContact CD2-CD2 4.46Å; L53-L69 HydrophobicContact CB-CD2 4.41Å; L53-L69 HydrophobicContact CD2-CD2 3.79Å; L53-L72 HydrophobicContact CB-CD1 3.72Å; L53-I74 PolarHBondContact N-O 2.59Å; L53-L75 HydrophobicContact CB-CD1 4.22Å; L53-L75 HydrophobicContact CD2-CD1 4.11Å; L53-L75 HydrophobicContact CG-CD1 4.29Å; L53-S76 PolarHBondContact O-N 2.87Å
54S98.6Very high97.4Very high9 Ų940.1 Ų40.16%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-110.2115.9175.4-50.50000111.6I28 L30 Y31I28-S54 PolarHBondContact O-N 2.99Å; L30-S54 CarbonylContact C-O 3.15Å; L30-S54 VanDerWaalsContact C-O 3.31Å; L30-S54 VanDerWaalsContact CA-O 3.3Å; L30-S54 WeakPolarHBondContact CA-O 3.21Å; L30-S54 PolarHBondContact N-O 3.24Å; Y31-S54 PolarHBondContact N-O 3.47Å
55L98.5Very high97.4Very high0 Ų043 Ų430%024%0.241CC..  trans-123.813.9177.8-78.1166.6000111.8I7 L30 I37 M40 L53 N58 I60 S76 L77 N80I7-L55 HydrophobicContact CD1-CD2 3.84Å; L30-L55 HydrophobicContact CB-CD2 3.85Å; L30-L55 HydrophobicContact CD1-CD2 4.16Å; I37-L55 HydrophobicContact CD1-CD2 3.88Å; M40-L55 HydrophobicContact CE-CD1 3.9Å; M40-L55 HydrophobicContact CG-CD1 4.37Å; M40-L55 HydrophobicContact SD-CD1 4.44Å; L53-L55 HydrophobicContact CD1-CG 4.37Å; L53-L55 HydrophobicContact CD2-CD1 3.76Å; L53-L55 HydrophobicContact CD2-CG 4.39Å; L53-L55 HydrophobicContact CG-CD1 4.09Å; L53-L55 HydrophobicContact CG-CG 4.19Å; L55-N58 PolarHBondContact O-ND2 2.91Å; L55-I60 HydrophobicContact CB-CD1 3.88Å; L55-I60 HydrophobicContact CD1-CD1 4.23Å; L55-I60 HydrophobicContact CD2-CD1 4.13Å; L55-I60 HydrophobicContact CG-CD1 4.32Å; L55-S76 CarbonylContact C-O 3.27Å; L55-S76 WeakPolarHBondContact CA-O 3.26Å; L55-S76 PolarHBondContact N-O 3.18Å; L55-L77 HydrophobicContact CB-CD2 3.77Å; L55-L77 HydrophobicContact CD1-CD2 4.08Å; L55-N80 PolarHBondContact O-ND2 3.18Å
56S98Very high97.5Very high20 Ų2039.9 Ų39.914%0.1422%0.219CC..  trans-61.1157.1-179.1-70.90000113.5Y31 A32 N58 S76 G78Y31-S56 CarbonylContact C-O 3.38Å; Y31-S56 WeakPolarHBondContact CA-O 3.42Å; Y31-S56 WeakPolarHBondContact CB-O 3.27Å; A32-S56 PolarHBondContact N-O 3.33Å; S56-N58 PolarHBondContact O-ND2 3.44Å; S56-S76 PolarHBondContact N-O 2.81Å; S56-S76 PolarHBondContact OG-OG 3.29Å; S56-G78 CarbonylContact C-O 3.31Å; S56-G78 WeakPolarHBondContact CA-O 3.14Å; S56-G78 VanDerWaalsContact CB-O 3.24Å; S56-G78 WeakPolarHBondContact CB-O 3.27Å; S56-G78 PolarHBondContact OG-N 3.26Å; S56-G78 PolarHBondContact OG-O 3.33Å
57T98.3Very high97.5Very high71 Ų7141.4 Ų41.444%0.43622%0.224SC..SBendtrans57.854.2178.5-46.60000111.4A32 G78 R79A32-T57 WeakPolarHBondContact CA-O 3.39Å; A32-T57 HydrophobicContact CB-CG2 4.1Å; A32-T57 PolarHBondContact N-O 3.3Å; T57-G78 PolarHBondContact N-O 2.99Å; T57-R79 WeakPolarHBondContact CA-O 3.49Å; T57-R79 PolarHBondContact N-O 3.31Å
58N98.2Very high97.3Very high9 Ų942.3 Ų42.35%0.04823%0.234CC..SBendtrans-131.9-164.8173.3-80.7-63.4000107.9L30 Q33 I37 L55 S56 I60 R79 N80L30-N58 PolarHBondContact O-ND2 3.12Å; Q33-N58 PolarHBondContact N-OD1 2.99Å; I37-N58 HydrophobicContact CB-CB 4.14Å; I37-N58 PolarHBondContact N-OD1 3.47Å; I37-N58 WeakPolarHBondContact O-CB 3.41Å; L55-N58 PolarHBondContact O-ND2 2.91Å; S56-N58 PolarHBondContact O-ND2 3.44Å; N58-I60 HydrophobicContact CB-CD1 4.3Å; N58-I60 HydrophobicContact CB-CG1 4.19Å; N58-R79 PolarHBondContact N-O 3.29Å; N58-R79 VanDerWaalsContact N-O 3.13Å; N58-R79 VanDerWaalsContact O-O 3.1Å; N58-N80 WeakPolarHBondContact CA-OD1 3.36Å; N58-N80 WeakPolarHBondContact CB-OD1 3.41Å; N58-N80 PolarHBondContact O-OD1 3.47Å
59C97.9Very high97.5Very high40 Ų4040 Ų4027%0.2722%0.215SC..  trans-119.931.5178.5-65.40000111.8P36 I37 E38 E61 N80 N81P36-C59 HydrophobicContact CB-CB 4.33Å; P36-C59 HydrophobicContact CG-CB 4.4Å; I37-C59 CarbonylContact O-C 3.38Å; I37-C59 WeakPolarHBondContact O-CA 3.36Å; I37-C59 PolarHBondContact O-N 3.37Å; E38-C59 HydrophobicContact CG-CB 4.02Å; C59-E61 PolarHBondContact O-N 3.23Å; C59-N80 PolarHBondContact N-OD1 3.32Å; C59-N81 PolarHBondContact O-ND2 2.9Å
60I98.4Very high97.4Very high0 Ų042.8 Ų42.80%022%0.224CC..  trans-66.9125.3-176.1-61166.6000109.9I37 E38 M40 L55 N58 K62 L77 N80 N81 I82I37-I60 HydrophobicContact CB-CG1 4.48Å; I37-I60 HydrophobicContact CG2-CD1 4.27Å; I37-I60 HydrophobicContact CG2-CG1 4.01Å; I37-I60 PolarHBondContact O-N 3Å; E38-I60 WeakPolarHBondContact O-CA 3.49Å; M40-I60 HydrophobicContact CG-CD1 4.15Å; M40-I60 HydrophobicContact CG-CG2 3.99Å; M40-I60 HydrophobicContact SD-CG2 4.13Å; L55-I60 HydrophobicContact CB-CD1 3.88Å; L55-I60 HydrophobicContact CD1-CD1 4.23Å; L55-I60 HydrophobicContact CD2-CD1 4.13Å; L55-I60 HydrophobicContact CG-CD1 4.32Å; N58-I60 HydrophobicContact CB-CD1 4.3Å; N58-I60 HydrophobicContact CB-CG1 4.19Å; I60-K62 WeakPolarHBondContact CG2-O 3.47Å; I60-L77 HydrophobicContact CD1-CD2 4.22Å; I60-N80 HydrophobicContact CB-CB 4.28Å; I60-N80 VanDerWaalsContact CB-OD1 3.27Å; I60-N80 WeakPolarHBondContact CB-OD1 3.22Å; I60-N80 WeakPolarHBondContact CG1-OD1 3.31Å; I60-N80 PolarHBondContact N-OD1 3.46Å; I60-N81 CarbonylContact O-C 3.19Å; I60-N81 VanDerWaalsContact O-C 3.27Å; I60-N81 WeakPolarHBondContact O-CA 3.41Å; I60-N81 PolarHBondContact O-N 3.38Å; I60-I82 HydrophobicContact CG2-CG1 4.44Å; I60-I82 WeakPolarHBondContact O-CG1 3.45Å; I60-I82 PolarHBondContact O-N 2.82Å
61E97.4Very high97.3Very high117 Ų11746.5 Ų46.555%0.54724%0.244SC..  trans-96.7-25.4179.3-64.4-177.2179.900113.8C59 N81C59-E61 PolarHBondContact O-N 3.23Å; E61-N81 HydrophobicContact CG-CB 3.96Å
62K97.3Very high97.3Very high155 Ų15543.5 Ų43.567%0.67423%0.229SC*.SBendtrans-139.5132.5-172.5-64.1-175.2-176.9179.80111I60I60-K62 WeakPolarHBondContact CG2-O 3.47Å
63I97.7Very high97.3Very high9 Ų946.4 Ų46.45%0.04624%0.239CC..  trans-77.1125.8171.4-55170.8000107.9M40 L66 L77 I82 L88 I100M40-I63 HydrophobicContact CE-CG2 4.5Å; M40-I63 HydrophobicContact SD-CB 4.49Å; M40-I63 HydrophobicContact SD-CG2 4.33Å; I63-L66 HydrophobicContact CG2-CD1 3.6Å; I63-L66 HydrophobicContact CG2-CG 4.37Å; I63-L77 HydrophobicContact CD1-CD1 3.91Å; I63-L77 HydrophobicContact CG1-CD1 3.93Å; I63-I82 HydrophobicContact CD1-CD1 4.35Å; I63-I82 HydrophobicContact CD1-CG2 4.17Å; I63-I82 HydrophobicContact CG1-CD1 3.97Å; I63-I82 HydrophobicContact CG1-CG2 4.19Å; I63-L88 HydrophobicContact CD1-CD1 4.01Å; I63-L88 HydrophobicContact CD1-CD2 4.11Å; I63-L88 HydrophobicContact CD1-CG 3.89Å; I63-L88 HydrophobicContact CG2-CD2 3.93Å; I63-L88 HydrophobicContact CG2-CG 4.2Å; I63-I100 HydrophobicContact CD1-CD1 4.06Å
64A97.1Very high97.3Very high34 Ų3447.9 Ų47.928%0.28125%0.247SC..  trans-158.9168.7-178.800000111.4M40 L66M40-A64 VanDerWaalsContact CE-O 3.23Å; M40-A64 WeakPolarHBondContact CE-O 3.3Å; A64-L66 VanDerWaalsContact C-N 3.28Å; A64-L66 PolarHBondContact O-N 2.97Å
65N97Very high97.3Very high61 Ų6147.5 Ų47.533%0.32624%0.244SC..  trans62.228.4170.7-59.4-53.6000115.2M40 D41 L44 N67M40-N65 PolarHBondContact O-ND2 3.12Å; D41-N65 WeakPolarHBondContact CA-ND2 3.46Å; D41-N65 VanDerWaalsContact O-CB 3.32Å; D41-N65 WeakPolarHBondContact O-CB 3.4Å; L44-N65 WeakPolarHBondContact CB-O 3.28Å; N65-N67 VanDerWaalsContact C-N 3.33Å
66L97.1Very high97.3Very high1 Ų148 Ų481%0.00525%0.247CC..  trans-85.2-1.1178.1-66178.9000114.5M40 L44 L53 I63 A64 G68 L69 L75 L88 A90 V91M40-L66 HydrophobicContact CE-CD1 4.5Å; M40-L66 HydrophobicContact CE-CD2 3.53Å; M40-L66 HydrophobicContact CE-CG 3.96Å; L44-L66 HydrophobicContact CD1-CD2 4.41Å; L53-L66 HydrophobicContact CD2-CD2 4.46Å; I63-L66 HydrophobicContact CG2-CD1 3.6Å; I63-L66 HydrophobicContact CG2-CG 4.37Å; A64-L66 VanDerWaalsContact C-N 3.28Å; A64-L66 PolarHBondContact O-N 2.97Å; L66-G68 PolarHBondContact O-N 2.88Å; L66-G68 VanDerWaalsContact O-N 3.09Å; L66-L69 HydrophobicContact CD2-CD1 4.1Å; L66-L69 PolarHBondContact O-N 2.79Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L66-L75 HydrophobicContact CD1-CD2 3.98Å; L66-L88 HydrophobicContact CD1-CD2 3.98Å; L66-A90 HydrophobicContact CB-CB 4.07Å; L66-V91 HydrophobicContact CB-CG1 3.94Å; L66-V91 HydrophobicContact CD1-CG2 3.95Å
67N94.5Very high97.4Very high104 Ų10447 Ų4756%0.55624%0.24SC*.THydrogen-bonded Turntrans-57.6-29.5-170.8-64.8-55.1000115.2N65 K70 A90N65-N67 VanDerWaalsContact C-N 3.33Å; N67-K70 WeakPolarHBondContact O-CE 3.31Å; N67-K70 PolarHBondContact O-NZ 2.75Å; N67-A90 WeakPolarHBondContact OD1-CB 3.41Å
68G93.7Very high97.4Very high19 Ų1944.1 Ų44.120%0.19622%0.224CC..THydrogen-bonded Turntrans-83.7-13.7-179.200000114.8L66 K70L66-G68 PolarHBondContact O-N 2.88Å; L66-G68 VanDerWaalsContact O-N 3.09Å; G68-K70 VanDerWaalsContact C-N 3.3Å; G68-K70 PolarHBondContact O-N 2.94Å
69L97Very high97.4Very high1 Ų150.1 Ų50.11%0.00525%0.247CC..  trans-89.964.6-172.2-62.387.8000111.3L44 L47 C50 L53 L66 N71 L72L44-L69 HydrophobicContact CB-CD1 4.16Å; L44-L69 WeakPolarHBondContact O-CD1 3.41Å; L47-L69 HydrophobicContact CB-CD2 4.28Å; L47-L69 HydrophobicContact CB-CG 4.22Å; L47-L69 HydrophobicContact CD1-CD2 4.41Å; C50-L69 HydrophobicContact CB-CD2 4.37Å; L53-L69 HydrophobicContact CB-CD2 4.41Å; L53-L69 HydrophobicContact CD2-CD2 3.79Å; L66-L69 HydrophobicContact CD2-CD1 4.1Å; L66-L69 PolarHBondContact O-N 2.79Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L69-N71 PolarHBondContact O-N 3.32Å; L69-N71 VanDerWaalsContact O-N 3.14Å; L69-L72 HydrophobicContact CB-CB 3.91Å; L69-L72 HydrophobicContact CB-CD2 4.4Å; L69-L72 HydrophobicContact CD2-CD1 4.01Å; L69-L72 HydrophobicContact CD2-CD2 4.18Å; L69-L72 WeakPolarHBondContact O-CB 3.39Å; L69-L72 PolarHBondContact O-N 3.34Å
70K94.5Very high97.4Very high132 Ų13248.5 Ų48.557%0.57424%0.235SC*.THydrogen-bonded Turntrans-66.8-12.7-174.6-59.6-51.5-169.9-166.10114.8N67 G68 T94N67-K70 WeakPolarHBondContact O-CE 3.31Å; N67-K70 PolarHBondContact O-NZ 2.75Å; G68-K70 VanDerWaalsContact C-N 3.3Å; G68-K70 PolarHBondContact O-N 2.94Å; K70-T94 WeakPolarHBondContact O-CG2 3.31Å
71N96.8Very high97.4Very high78 Ų7850.9 Ų50.942%0.41725%0.248SC..THydrogen-bonded Turntrans-110.25.4179.9-64.3-59.3000112.7A48 C50 E51 L69 R73A48-N71 PolarHBondContact O-ND2 3.35Å; C50-N71 CarbonylContact O-C 3.54Å; E51-N71 WeakPolarHBondContact CA-O 3.35Å; E51-N71 HydrophobicContact CG-CB 4.32Å; L69-N71 PolarHBondContact O-N 3.32Å; L69-N71 VanDerWaalsContact O-N 3.14Å; N71-R73 PolarHBondContact O-N 2.79Å
72L98.3Very high97.5Very high0 Ų045.3 Ų45.30%022%0.222CC..  trans-66.7118.5-172.9-166.768.8000111.1C50 L53 L69 L75 V91 T94 L95C50-L72 WeakPolarHBondContact O-CA 3.48Å; C50-L72 PolarHBondContact O-N 3.05Å; L53-L72 HydrophobicContact CB-CD1 3.72Å; L69-L72 HydrophobicContact CB-CB 3.91Å; L69-L72 HydrophobicContact CB-CD2 4.4Å; L69-L72 HydrophobicContact CD2-CD1 4.01Å; L69-L72 HydrophobicContact CD2-CD2 4.18Å; L69-L72 WeakPolarHBondContact O-CB 3.39Å; L69-L72 PolarHBondContact O-N 3.34Å; L72-L75 HydrophobicContact CD2-CB 4.15Å; L72-L75 HydrophobicContact CD2-CD1 4.37Å; L72-L75 HydrophobicContact CD2-CD2 4.44Å; L72-V91 HydrophobicContact CB-CG1 4.2Å; L72-V91 HydrophobicContact CD2-CB 4.43Å; L72-V91 HydrophobicContact CD2-CG1 3.96Å; L72-V91 HydrophobicContact CD2-CG2 4.48Å; L72-T94 CarbonylContact O-C 3.16Å; L72-T94 VanDerWaalsContact O-CB 3.27Å; L72-T94 WeakPolarHBondContact O-CB 3.34Å; L72-T94 PolarHBondContact O-OG1 3.01Å; L72-L95 HydrophobicContact CD2-CD1 4.12Å; L72-L95 HydrophobicContact CG-CD1 4.07Å; L72-L95 PolarHBondContact O-N 3.13Å
73R98.6Very high97.5Very high115 Ų11544.3 Ų44.343%0.43422%0.218SC..  trans-106.6-37.5176-68.4173.3178.1-99-2.4111.7E51 N71 L95 E96 E97E51-R73 PolarHBondContact O-N 3.4Å; N71-R73 PolarHBondContact O-N 2.79Å; R73-L95 WeakPolarHBondContact O-CD1 3.38Å; R73-E96 HydrophobicContact CB-CB 4.46Å; R73-E96 HydrophobicContact CG-CG 4.5Å; R73-E96 IonicContact CZ-OE1 2.72Å; R73-E96 IonicContact CZ-OE2 2.85Å; R73-E96 IonicContact NH1-OE1 2.68Å; R73-E96 PolarHBondContact NH1-OE1 3.14Å; R73-E96 IonicContact NH1-OE2 3.14Å; R73-E96 PolarHBondContact NH1-OE2 2.74Å; R73-E96 PolarHBondContact O-N 2.92Å; R73-E97 PolarHBondContact O-N 3.25Å
74I98.7Very high97.5Very high31 Ų3146.8 Ų46.816%0.15923%0.231CC..EExtended strand (participates in β ladder)trans-123.4120-175.2-55.5178.3000109.7E51 K52 L53 E97 W99E51-I74 PolarHBondContact O-N 2.96Å; K52-I74 WeakPolarHBondContact CA-O 3.33Å; K52-I74 HydrophobicContact CB-CB 4.09Å; K52-I74 HydrophobicContact CD-CB 4.31Å; K52-I74 HydrophobicContact CD-CD1 4.19Å; K52-I74 HydrophobicContact CD-CG2 4.18Å; K52-I74 HydrophobicContact CG-CB 3.89Å; K52-I74 HydrophobicContact CG-CG2 3.96Å; L53-I74 PolarHBondContact N-O 2.59Å; I74-E97 WeakPolarHBondContact CA-O 3.27Å; I74-E97 HydrophobicContact CB-CB 4.41Å; I74-E97 HydrophobicContact CD1-CG 4.48Å; I74-E97 HydrophobicContact CG1-CB 4.04Å; I74-E97 HydrophobicContact CG1-CG 4.01Å; I74-E97 HydrophobicContact CG2-CB 4.2Å; I74-W99 HydrophobicContact CG2-CH2 4.3Å; I74-W99 HydrophobicContact CG2-CZ2 3.97Å
75L98.7Very high97.5Very high0 Ų045.2 Ų45.20%022%0.217CC..EExtended strand (participates in β ladder)trans-119.1117.4175.818057000110.5L53 L66 L72 L77 L88 L95 E97 L98 W99L53-L75 HydrophobicContact CB-CD1 4.22Å; L53-L75 HydrophobicContact CD2-CD1 4.11Å; L53-L75 HydrophobicContact CG-CD1 4.29Å; L66-L75 HydrophobicContact CD1-CD2 3.98Å; L72-L75 HydrophobicContact CD2-CB 4.15Å; L72-L75 HydrophobicContact CD2-CD1 4.37Å; L72-L75 HydrophobicContact CD2-CD2 4.44Å; L75-L77 HydrophobicContact CD1-CD1 4.16Å; L75-L77 HydrophobicContact CD1-CG 4.01Å; L75-L77 HydrophobicContact CD2-CD1 3.67Å; L75-L77 HydrophobicContact CD2-CG 4.4Å; L75-L77 HydrophobicContact CG-CD1 3.77Å; L75-L77 HydrophobicContact CG-CG 3.96Å; L75-L88 HydrophobicContact CD2-CD2 3.59Å; L75-L95 HydrophobicContact CB-CD1 3.62Å; L75-L95 HydrophobicContact CB-CD2 4.35Å; L75-E97 PolarHBondContact N-O 2.69Å; L75-L98 HydrophobicContact CB-CD1 4.22Å; L75-L98 HydrophobicContact CD2-CD1 4.22Å; L75-L98 HydrophobicContact CG-CD1 4.22Å; L75-W99 PolarHBondContact O-N 3.4Å
76S98.7Very high97.4Very high10 Ų1045.7 Ų45.77%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-109.3111.6179.91720000110.3L53 L55 S56L53-S76 PolarHBondContact O-N 2.87Å; L55-S76 CarbonylContact C-O 3.27Å; L55-S76 WeakPolarHBondContact CA-O 3.26Å; L55-S76 PolarHBondContact N-O 3.18Å; S56-S76 PolarHBondContact N-O 2.81Å; S56-S76 PolarHBondContact OG-OG 3.29Å
77L98.7Very high97.2Very high0 Ų046.7 Ų46.70%023%0.23CC..  trans-128.716.6-176.5-74.4168.3000112.2L55 I60 I63 L75 N80 I82 W99 I100 N103L55-L77 HydrophobicContact CB-CD2 3.77Å; L55-L77 HydrophobicContact CD1-CD2 4.08Å; I60-L77 HydrophobicContact CD1-CD2 4.22Å; I63-L77 HydrophobicContact CD1-CD1 3.91Å; I63-L77 HydrophobicContact CG1-CD1 3.93Å; L75-L77 HydrophobicContact CD1-CD1 4.16Å; L75-L77 HydrophobicContact CD1-CG 4.01Å; L75-L77 HydrophobicContact CD2-CD1 3.67Å; L75-L77 HydrophobicContact CD2-CG 4.4Å; L75-L77 HydrophobicContact CG-CD1 3.77Å; L75-L77 HydrophobicContact CG-CG 3.96Å; L77-N80 PolarHBondContact O-ND2 2.87Å; L77-I82 HydrophobicContact CB-CD1 3.82Å; L77-I82 HydrophobicContact CD1-CD1 3.93Å; L77-I82 HydrophobicContact CD2-CD1 4.1Å; L77-I82 HydrophobicContact CG-CD1 4.18Å; L77-W99 CarbonylContact C-O 3.55Å; L77-W99 WeakPolarHBondContact CA-O 3.37Å; L77-W99 PolarHBondContact N-O 2.96Å; L77-I100 HydrophobicContact CB-CD1 4.4Å; L77-I100 HydrophobicContact CB-CG1 4.17Å; L77-I100 HydrophobicContact CD1-CD1 4.35Å; L77-N103 PolarHBondContact O-ND2 3.27Å
78G98.4Very high97.4Very high10 Ų1041.8 Ų41.810%0.10320%0.204CC..  trans-63.7153-178.900000112.8S56 T57 N80 W99 S101S56-G78 CarbonylContact C-O 3.31Å; S56-G78 WeakPolarHBondContact CA-O 3.14Å; S56-G78 VanDerWaalsContact CB-O 3.24Å; S56-G78 WeakPolarHBondContact CB-O 3.27Å; S56-G78 PolarHBondContact OG-N 3.26Å; S56-G78 PolarHBondContact OG-O 3.33Å; T57-G78 PolarHBondContact N-O 2.99Å; G78-N80 PolarHBondContact O-ND2 2.78Å; G78-W99 PolarHBondContact N-O 2.78Å; G78-W99 VanDerWaalsContact N-O 3.14Å; G78-S101 CarbonylContact C-O 3.24Å; G78-S101 WeakPolarHBondContact CA-O 3.17Å
79R98.5Very high97.4Very high136 Ų13645.7 Ų45.751%0.51322%0.217SC..SBendtrans5459.8-176.8-64.2-178.3176-89.3-2.9111.8T57 N58 S101 Y102T57-R79 WeakPolarHBondContact CA-O 3.49Å; T57-R79 PolarHBondContact N-O 3.31Å; N58-R79 PolarHBondContact N-O 3.29Å; N58-R79 VanDerWaalsContact N-O 3.13Å; N58-R79 VanDerWaalsContact O-O 3.1Å; R79-S101 PolarHBondContact N-O 2.89Å; R79-Y102 WeakPolarHBondContact CA-O 3.35Å; R79-Y102 HydrophobicContact CG-CD2 4.16Å; R79-Y102 HydrophobicContact CG-CG 3.99Å; R79-Y102 PolarHBondContact N-O 3.34Å
80N98.7Very high97.3Very high5 Ų547.1 Ų47.13%0.02723%0.229CC..SBendtrans-131-168.8172.1-84.7-76.4000109.1L55 N58 C59 I60 L77 G78 I82 Y102 N103L55-N80 PolarHBondContact O-ND2 3.18Å; N58-N80 WeakPolarHBondContact CA-OD1 3.36Å; N58-N80 WeakPolarHBondContact CB-OD1 3.41Å; N58-N80 PolarHBondContact O-OD1 3.47Å; C59-N80 PolarHBondContact N-OD1 3.32Å; I60-N80 HydrophobicContact CB-CB 4.28Å; I60-N80 VanDerWaalsContact CB-OD1 3.27Å; I60-N80 WeakPolarHBondContact CB-OD1 3.22Å; I60-N80 WeakPolarHBondContact CG1-OD1 3.31Å; I60-N80 PolarHBondContact N-OD1 3.46Å; L77-N80 PolarHBondContact O-ND2 2.87Å; G78-N80 PolarHBondContact O-ND2 2.78Å; N80-I82 HydrophobicContact CB-CD1 4.19Å; N80-I82 HydrophobicContact CB-CG1 4.12Å; N80-Y102 PolarHBondContact N-O 2.76Å; N80-N103 WeakPolarHBondContact CA-OD1 3.45Å; N80-N103 WeakPolarHBondContact CB-OD1 3.41Å; N80-N103 PolarHBondContact N-OD1 3.33Å; N80-N103 PolarHBondContact O-OD1 3.1Å; N80-N103 VanDerWaalsContact O-OD1 3.11Å
81N98.4Very high97.4Very high51 Ų5140.9 Ų40.927%0.27320%0.202SC..  trans-110.828-179-62.3-29.7000112.5C59 I60 E61 N103 F104C59-N81 PolarHBondContact O-ND2 2.9Å; I60-N81 CarbonylContact O-C 3.19Å; I60-N81 VanDerWaalsContact O-C 3.27Å; I60-N81 WeakPolarHBondContact O-CA 3.41Å; I60-N81 PolarHBondContact O-N 3.38Å; E61-N81 HydrophobicContact CG-CB 3.96Å; N81-N103 PolarHBondContact N-OD1 3.45Å; N81-F104 HydrophobicContact CB-CD2 4.27Å; N81-F104 HydrophobicContact CB-CE2 4.09Å; N81-F104 WeakPolarHBondContact OD1-CE2 3.49Å
82I98.5Very high97.4Very high0 Ų037.2 Ų37.20%018%0.183CC..  trans-74.5134.5-171.8-59.4167.9000110.5I60 I63 L77 N80 N84 I100 N103 F104 I105I60-I82 HydrophobicContact CG2-CG1 4.44Å; I60-I82 WeakPolarHBondContact O-CG1 3.45Å; I60-I82 PolarHBondContact O-N 2.82Å; I63-I82 HydrophobicContact CD1-CD1 4.35Å; I63-I82 HydrophobicContact CD1-CG2 4.17Å; I63-I82 HydrophobicContact CG1-CD1 3.97Å; I63-I82 HydrophobicContact CG1-CG2 4.19Å; L77-I82 HydrophobicContact CB-CD1 3.82Å; L77-I82 HydrophobicContact CD1-CD1 3.93Å; L77-I82 HydrophobicContact CD2-CD1 4.1Å; L77-I82 HydrophobicContact CG-CD1 4.18Å; N80-I82 HydrophobicContact CB-CD1 4.19Å; N80-I82 HydrophobicContact CB-CG1 4.12Å; I82-N84 WeakPolarHBondContact CG2-O 3.47Å; I82-I100 HydrophobicContact CD1-CD1 3.98Å; I82-I100 HydrophobicContact CD1-CG1 4.29Å; I82-I100 HydrophobicContact CG2-CD1 4.21Å; I82-N103 HydrophobicContact CB-CB 4.3Å; I82-N103 VanDerWaalsContact CB-OD1 3.27Å; I82-N103 WeakPolarHBondContact CB-OD1 3.32Å; I82-N103 WeakPolarHBondContact CG1-OD1 3.48Å; I82-N103 PolarHBondContact N-OD1 3.37Å; I82-F104 CarbonylContact O-C 3.25Å; I82-F104 VanDerWaalsContact O-C 3.31Å; I82-F104 WeakPolarHBondContact O-CA 3.36Å; I82-F104 PolarHBondContact O-N 2.94Å; I82-I105 HydrophobicContact CG2-CG1 4.49Å; I82-I105 PolarHBondContact O-N 3.15Å
83K97.7Very high97.2Very high134 Ų13442.6 Ų42.658%0.58321%0.212SC*.  trans-108.2-17.2-177.3-65178.7-179.2179.50114.9F104K83-F104 WeakPolarHBondContact CA-O 3.45Å; K83-F104 HydrophobicContact CG-CB 4.05Å
84N96.8Very high97.2Very high60 Ų6038.8 Ų38.832%0.32120%0.201SC..  trans-158168.1-178.759.875.6000110.7I82 N86I82-N84 WeakPolarHBondContact CG2-O 3.47Å; N84-N86 VanDerWaalsContact OD1-CB 3.26Å; N84-N86 WeakPolarHBondContact OD1-CB 3.32Å; N84-N86 VanDerWaalsContact OD1-CG 3.28Å; N84-N86 PolarHBondContact OD1-N 3.28Å; N84-N86 PolarHBondContact OD1-ND2 2.83Å
85L97.1Very high97.2Very high1 Ų137.3 Ų37.31%0.00519%0.194CC..  trans-93.87-174.2-60.7178.3000113.8L88 L98 I100 I105 L108 I111L85-L88 HydrophobicContact CB-CD1 4.04Å; L85-L88 HydrophobicContact CD2-CD1 4Å; L85-L88 WeakPolarHBondContact O-CG 3.26Å; L85-L88 PolarHBondContact O-N 3.47Å; L85-L98 HydrophobicContact CD2-CD2 4.31Å; L85-I100 HydrophobicContact CD2-CD1 3.97Å; L85-I105 HydrophobicContact CD2-CD1 3.85Å; L85-L108 HydrophobicContact CD1-CD2 4.33Å; L85-I111 HydrophobicContact CD1-CB 4.01Å; L85-I111 HydrophobicContact CD1-CD1 3.5Å; L85-I111 VanDerWaalsContact CD1-CD1 3.5Å; L85-I111 HydrophobicContact CD1-CG1 4.35Å
86N95.1Very high97.2Very high72 Ų7239.3 Ų39.339%0.38520%0.203SC..THydrogen-bonded Turntrans-63.2139.5178.9-60-13.2000109.9N84N84-N86 VanDerWaalsContact OD1-CB 3.26Å; N84-N86 WeakPolarHBondContact OD1-CB 3.32Å; N84-N86 VanDerWaalsContact OD1-CG 3.28Å; N84-N86 PolarHBondContact OD1-N 3.28Å; N84-N86 PolarHBondContact OD1-ND2 2.83Å
87G94.7Very high97.2Very high21 Ų2141 Ų4122%0.21621%0.21CC..THydrogen-bonded Turntrans103-10.3-176.400000113.9E89G87-E89 VanDerWaalsContact C-N 3.31Å; G87-E89 WeakPolarHBondContact CA-OE2 3.3Å; G87-E89 PolarHBondContact N-OE2 3.11Å
88L97Very high97.2Very high1 Ų141 Ų411%0.00521%0.21CC..G310 helixtrans-80.1-8.9175.4-69173.8000113.5I63 L66 L75 L85 A90 V91 G92 L98 M114I63-L88 HydrophobicContact CD1-CD1 4.01Å; I63-L88 HydrophobicContact CD1-CD2 4.11Å; I63-L88 HydrophobicContact CD1-CG 3.89Å; I63-L88 HydrophobicContact CG2-CD2 3.93Å; I63-L88 HydrophobicContact CG2-CG 4.2Å; L66-L88 HydrophobicContact CD1-CD2 3.98Å; L75-L88 HydrophobicContact CD2-CD2 3.59Å; L85-L88 HydrophobicContact CB-CD1 4.04Å; L85-L88 HydrophobicContact CD2-CD1 4Å; L85-L88 WeakPolarHBondContact O-CG 3.26Å; L85-L88 PolarHBondContact O-N 3.47Å; L88-A90 PolarHBondContact O-N 3.47Å; L88-A90 VanDerWaalsContact O-N 3.16Å; L88-V91 HydrophobicContact CD2-CG2 4.22Å; L88-V91 WeakPolarHBondContact O-CG2 3.46Å; L88-V91 PolarHBondContact O-N 2.87Å; L88-G92 PolarHBondContact O-N 2.9Å; L88-G92 VanDerWaalsContact O-N 3.08Å; L88-L98 HydrophobicContact CD1-CD2 3.9Å; L88-M114 HydrophobicContact CB-SD 4.35Å; L88-M114 HydrophobicContact CD1-CE 4.02Å; L88-M114 HydrophobicContact CD1-SD 3.76Å
89E95.4Very high97.2Very high101 Ų10144 Ų4447%0.47222%0.218SC..G310 helixtrans-56.8-34.6179.6-5884.2175.100111.7G87 V91 G92 V113G87-E89 VanDerWaalsContact C-N 3.31Å; G87-E89 WeakPolarHBondContact CA-OE2 3.3Å; G87-E89 PolarHBondContact N-OE2 3.11Å; E89-V91 PolarHBondContact O-N 3.29Å; E89-G92 PolarHBondContact O-N 3.41Å; E89-V113 HydrophobicContact CG-CG1 4.12Å; E89-V113 HydrophobicContact CG-CG2 4.38Å
90A94.6Very high97.2Very high31 Ų3137.5 Ų37.526%0.25619%0.194SC..G310 helixtrans-62.6-23.4179.800000114.6L66 N67 L88L66-A90 HydrophobicContact CB-CB 4.07Å; N67-A90 WeakPolarHBondContact OD1-CB 3.41Å; L88-A90 PolarHBondContact O-N 3.47Å; L88-A90 VanDerWaalsContact O-N 3.16Å
91V96.7Very high97.2Very high1 Ų138 Ų381%0.00620%0.198CC..G310 helixtrans-122.39.2-178.3-64.60000112.2L66 L72 L88 E89 D93 T94 L95L66-V91 HydrophobicContact CB-CG1 3.94Å; L66-V91 HydrophobicContact CD1-CG2 3.95Å; L72-V91 HydrophobicContact CB-CG1 4.2Å; L72-V91 HydrophobicContact CD2-CB 4.43Å; L72-V91 HydrophobicContact CD2-CG1 3.96Å; L72-V91 HydrophobicContact CD2-CG2 4.48Å; L88-V91 HydrophobicContact CD2-CG2 4.22Å; L88-V91 WeakPolarHBondContact O-CG2 3.46Å; L88-V91 PolarHBondContact O-N 2.87Å; E89-V91 PolarHBondContact O-N 3.29Å; V91-D93 PolarHBondContact O-N 2.97Å; V91-T94 PolarHBondContact O-N 3.13Å; V91-T94 PolarHBondContact O-OG1 3.31Å; V91-L95 HydrophobicContact CG2-CB 4.43Å; V91-L95 HydrophobicContact CG2-CD2 4.44Å; V91-L95 WeakPolarHBondContact O-CB 3.29Å; V91-L95 PolarHBondContact O-N 3.37Å
92G95.6Very high97.2Very high2 Ų240.5 Ų40.52%0.02120%0.204CC..THydrogen-bonded Turntrans-59.6-31.7-175.300000114L88 E89 T94 V113 M114 R115L88-G92 PolarHBondContact O-N 2.9Å; L88-G92 VanDerWaalsContact O-N 3.08Å; E89-G92 PolarHBondContact O-N 3.41Å; G92-T94 VanDerWaalsContact C-N 3.33Å; G92-T94 PolarHBondContact O-N 3.44Å; G92-V113 CarbonylContact C-O 3.39Å; G92-V113 VanDerWaalsContact CA-O 3.29Å; G92-V113 WeakPolarHBondContact CA-O 3.34Å; G92-M114 WeakPolarHBondContact O-CA 3.48Å; G92-R115 PolarHBondContact O-N 3.03Å
93D95.3Very high97.2Very high113 Ų11340.7 Ų40.760%0.60421%0.205SC*.THydrogen-bonded Turntrans-83.1-5.9-179.9-66.2-35.6000114.1V91 K116V91-D93 PolarHBondContact O-N 2.97Å; D93-K116 WeakPolarHBondContact O-CD 3.48Å; D93-K116 WeakPolarHBondContact O-CE 3.33Å; D93-K116 PolarHBondContact O-NZ 3.19Å
94T97.5Very high97.2Very high34 Ų3438.8 Ų38.821%0.20920%0.197CC..THydrogen-bonded Turntrans-126-27.8-172.765.50000113.2K70 L72 V91 G92 E96K70-T94 WeakPolarHBondContact O-CG2 3.31Å; L72-T94 CarbonylContact O-C 3.16Å; L72-T94 VanDerWaalsContact O-CB 3.27Å; L72-T94 WeakPolarHBondContact O-CB 3.34Å; L72-T94 PolarHBondContact O-OG1 3.01Å; V91-T94 PolarHBondContact O-N 3.13Å; V91-T94 PolarHBondContact O-OG1 3.31Å; G92-T94 VanDerWaalsContact C-N 3.33Å; G92-T94 PolarHBondContact O-N 3.44Å; T94-E96 PolarHBondContact O-N 3.26Å
95L98.3Very high97.3Very high0 Ų035.9 Ų35.90%018%0.182CC..  trans-70.6123.9-174-160.473.1000111.7L72 R73 L75 V91 L98 M114 K116 L117L72-L95 HydrophobicContact CD2-CD1 4.12Å; L72-L95 HydrophobicContact CG-CD1 4.07Å; L72-L95 PolarHBondContact O-N 3.13Å; R73-L95 WeakPolarHBondContact O-CD1 3.38Å; L75-L95 HydrophobicContact CB-CD1 3.62Å; L75-L95 HydrophobicContact CB-CD2 4.35Å; V91-L95 HydrophobicContact CG2-CB 4.43Å; V91-L95 HydrophobicContact CG2-CD2 4.44Å; V91-L95 WeakPolarHBondContact O-CB 3.29Å; V91-L95 PolarHBondContact O-N 3.37Å; L95-L98 HydrophobicContact CD2-CB 4.12Å; L95-L98 HydrophobicContact CD2-CD1 4.35Å; L95-M114 HydrophobicContact CD2-SD 3.73Å; L95-K116 CarbonylContact O-C 3.36Å; L95-K116 VanDerWaalsContact O-C 3.25Å; L95-L117 HydrophobicContact CD2-CD1 4.31Å; L95-L117 HydrophobicContact CG-CD1 4.38Å; L95-L117 PolarHBondContact O-N 3.43Å
96E98.7Very high97.4Very high43 Ų4340.6 Ų40.620%0.20120%0.204CC..  trans-107.6-31.1-179.2-66.1177.9159.800111.4R73 T94 K118 I119R73-E96 HydrophobicContact CB-CB 4.46Å; R73-E96 HydrophobicContact CG-CG 4.5Å; R73-E96 IonicContact CZ-OE1 2.72Å; R73-E96 IonicContact CZ-OE2 2.85Å; R73-E96 IonicContact NH1-OE1 2.68Å; R73-E96 PolarHBondContact NH1-OE1 3.14Å; R73-E96 IonicContact NH1-OE2 3.14Å; R73-E96 PolarHBondContact NH1-OE2 2.74Å; R73-E96 PolarHBondContact O-N 2.92Å; T94-E96 PolarHBondContact O-N 3.26Å; E96-K118 PolarHBondContact O-N 2.98Å; E96-I119 PolarHBondContact O-N 3.14Å; E96-I119 VanDerWaalsContact O-N 3.14Å
97E98.7Very high97.5Very high45 Ų4543.1 Ų43.121%0.2121%0.211CC..EExtended strand (participates in β ladder)trans-134130.4177.6-48.1-172.6-157.100112.1R73 I74 L75 W99 I119R73-E97 PolarHBondContact O-N 3.25Å; I74-E97 WeakPolarHBondContact CA-O 3.27Å; I74-E97 HydrophobicContact CB-CB 4.41Å; I74-E97 HydrophobicContact CD1-CG 4.48Å; I74-E97 HydrophobicContact CG1-CB 4.04Å; I74-E97 HydrophobicContact CG1-CG 4.01Å; I74-E97 HydrophobicContact CG2-CB 4.2Å; L75-E97 PolarHBondContact N-O 2.69Å; E97-W99 VanDerWaalsContact OE2-CZ2 3.3Å; E97-W99 WeakPolarHBondContact OE2-CZ2 3.43Å; E97-W99 PolarHBondContact OE2-NE1 3.4Å; E97-I119 WeakPolarHBondContact CA-O 3.4Å; E97-I119 HydrophobicContact CB-CB 4.17Å; E97-I119 HydrophobicContact CG-CB 3.93Å; E97-I119 HydrophobicContact CG-CD1 4.03Å; E97-I119 HydrophobicContact CG-CG1 4.19Å
98L98.7Very high97.6Very high0 Ų042.1 Ų42.10%020%0.201CC..EExtended strand (participates in β ladder)trans-122.4117.3174178.262.2000109.7L75 L85 L88 L95 I100 M114 L117 I119 L120 Y121L75-L98 HydrophobicContact CB-CD1 4.22Å; L75-L98 HydrophobicContact CD2-CD1 4.22Å; L75-L98 HydrophobicContact CG-CD1 4.22Å; L85-L98 HydrophobicContact CD2-CD2 4.31Å; L88-L98 HydrophobicContact CD1-CD2 3.9Å; L95-L98 HydrophobicContact CD2-CB 4.12Å; L95-L98 HydrophobicContact CD2-CD1 4.35Å; L98-I100 HydrophobicContact CD1-CB 4.36Å; L98-I100 HydrophobicContact CD2-CG2 4.32Å; L98-I100 HydrophobicContact CG-CB 4.25Å; L98-I100 HydrophobicContact CG-CG2 4.25Å; L98-M114 HydrophobicContact CD2-CE 4.04Å; L98-M114 HydrophobicContact CD2-SD 3.98Å; L98-L117 HydrophobicContact CB-CD1 3.73Å; L98-I119 PolarHBondContact N-O 3.32Å; L98-L120 HydrophobicContact CB-CD1 4.09Å; L98-L120 HydrophobicContact CD2-CD1 3.95Å; L98-L120 HydrophobicContact CG-CD1 4.12Å; L98-Y121 PolarHBondContact O-N 2.95Å
99W98.7Very high97.4Very high72 Ų7249 Ų4927%0.27323%0.231SC..EExtended strand (participates in β ladder)trans-110.4102.7175.4-47.2-18000109.2I74 L75 L77 G78 E97 Y121I74-W99 HydrophobicContact CG2-CH2 4.3Å; I74-W99 HydrophobicContact CG2-CZ2 3.97Å; L75-W99 PolarHBondContact O-N 3.4Å; L77-W99 CarbonylContact C-O 3.55Å; L77-W99 WeakPolarHBondContact CA-O 3.37Å; L77-W99 PolarHBondContact N-O 2.96Å; G78-W99 PolarHBondContact N-O 2.78Å; G78-W99 VanDerWaalsContact N-O 3.14Å; E97-W99 VanDerWaalsContact OE2-CZ2 3.3Å; E97-W99 WeakPolarHBondContact OE2-CZ2 3.43Å; E97-W99 PolarHBondContact OE2-NE1 3.4Å; W99-Y121 HydrophobicContact CB-CD2 4.39Å; W99-Y121 AromaticContact CD1-CD2 3.4Å; W99-Y121 AromaticContact CD1-CE2 3.93Å; W99-Y121 HydrophobicContact CD2-CD2 4.37Å; W99-Y121 AromaticContact CG-CD2 3.82Å; W99-Y121 HydrophobicContact CG-CD2 3.82Å; W99-Y121 AromaticContact NE1-CD2 3.79Å; W99-Y121 AromaticContact NE1-CE2 3.82Å
100I98.7Very high97.3Very high0 Ų044.5 Ų44.50%021%0.212CC..  trans-131.122.5-172.8-158.6159.2000112.6I63 L77 I82 L85 L98 N103 I105 L120 Y121 I122 N125I63-I100 HydrophobicContact CD1-CD1 4.06Å; L77-I100 HydrophobicContact CB-CD1 4.4Å; L77-I100 HydrophobicContact CB-CG1 4.17Å; L77-I100 HydrophobicContact CD1-CD1 4.35Å; I82-I100 HydrophobicContact CD1-CD1 3.98Å; I82-I100 HydrophobicContact CD1-CG1 4.29Å; I82-I100 HydrophobicContact CG2-CD1 4.21Å; L85-I100 HydrophobicContact CD2-CD1 3.97Å; L98-I100 HydrophobicContact CD1-CB 4.36Å; L98-I100 HydrophobicContact CD2-CG2 4.32Å; L98-I100 HydrophobicContact CG-CB 4.25Å; L98-I100 HydrophobicContact CG-CG2 4.25Å; I100-N103 HydrophobicContact CG1-CB 4.49Å; I100-N103 PolarHBondContact O-ND2 2.97Å; I100-I105 HydrophobicContact CB-CD1 4.41Å; I100-I105 HydrophobicContact CD1-CD1 3.6Å; I100-I105 HydrophobicContact CG1-CD1 3.71Å; I100-I105 HydrophobicContact CG2-CD1 3.86Å; I100-L120 HydrophobicContact CG2-CD1 4.43Å; I100-Y121 CarbonylContact C-O 3.22Å; I100-Y121 PolarHBondContact N-O 2.78Å; I100-I122 HydrophobicContact CG2-CB 4.12Å; I100-I122 HydrophobicContact CG2-CD1 4.15Å; I100-I122 HydrophobicContact CG2-CG1 3.92Å; I100-N125 PolarHBondContact O-ND2 3.26Å
101S98.7Very high97.4Very high16 Ų1643 Ų4311%0.11220%0.199CC..  trans-58.3154.1175.1-59.50000113.4G78 R79 N103 Y121 S123G78-S101 CarbonylContact C-O 3.24Å; G78-S101 WeakPolarHBondContact CA-O 3.17Å; R79-S101 PolarHBondContact N-O 2.89Å; S101-N103 PolarHBondContact O-ND2 3.21Å; S101-Y121 PolarHBondContact N-O 2.79Å; S101-S123 CarbonylContact C-O 3.37Å; S101-S123 WeakPolarHBondContact CA-O 3.17Å; S101-S123 VanDerWaalsContact CB-O 3.25Å; S101-S123 WeakPolarHBondContact CB-O 3.33Å; S101-S123 VanDerWaalsContact CB-OG 3.24Å; S101-S123 WeakPolarHBondContact CB-OG 3.35Å; S101-S123 PolarHBondContact OG-N 2.73Å; S101-S123 PolarHBondContact OG-OG 3.3Å
102Y98.7Very high97.4Very high103 Ų10347.1 Ų47.140%0.40422%0.218SC..SBendtrans5758.2-178.4-57.5-89.4000111.9R79 N80 S123 N124R79-Y102 WeakPolarHBondContact CA-O 3.35Å; R79-Y102 HydrophobicContact CG-CD2 4.16Å; R79-Y102 HydrophobicContact CG-CG 3.99Å; R79-Y102 PolarHBondContact N-O 3.34Å; N80-Y102 PolarHBondContact N-O 2.76Å; Y102-S123 PolarHBondContact N-O 2.76Å; Y102-N124 VanDerWaalsContact CA-O 3.23Å; Y102-N124 WeakPolarHBondContact CA-O 3.38Å; Y102-N124 HydrophobicContact CD1-CB 3.56Å; Y102-N124 HydrophobicContact CD2-CB 4.43Å; Y102-N124 HydrophobicContact CE1-CB 3.71Å; Y102-N124 VanDerWaalsContact CE1-CG 3.44Å; Y102-N124 HydrophobicContact CG-CB 3.96Å; Y102-N124 VanDerWaalsContact CZ-ND2 3.32Å; Y102-N124 PolarHBondContact N-O 2.87Å; Y102-N124 PolarHBondContact OH-ND2 3.3Å
103N98.8Very high97.4Very high5 Ų548.6 Ų48.63%0.02723%0.227CC..SBendtrans-131.8-167.5172.1-84-81.5000108.3L77 N80 N81 I82 I100 S101 I105 N124 N125L77-N103 PolarHBondContact O-ND2 3.27Å; N80-N103 WeakPolarHBondContact CA-OD1 3.45Å; N80-N103 WeakPolarHBondContact CB-OD1 3.41Å; N80-N103 PolarHBondContact N-OD1 3.33Å; N80-N103 PolarHBondContact O-OD1 3.1Å; N80-N103 VanDerWaalsContact O-OD1 3.11Å; N81-N103 PolarHBondContact N-OD1 3.45Å; I82-N103 HydrophobicContact CB-CB 4.3Å; I82-N103 VanDerWaalsContact CB-OD1 3.27Å; I82-N103 WeakPolarHBondContact CB-OD1 3.32Å; I82-N103 WeakPolarHBondContact CG1-OD1 3.48Å; I82-N103 PolarHBondContact N-OD1 3.37Å; I100-N103 HydrophobicContact CG1-CB 4.49Å; I100-N103 PolarHBondContact O-ND2 2.97Å; S101-N103 PolarHBondContact O-ND2 3.21Å; N103-I105 HydrophobicContact CB-CD1 4.47Å; N103-I105 HydrophobicContact CB-CG1 4.38Å; N103-N124 PolarHBondContact N-O 3.04Å; N103-N125 WeakPolarHBondContact CA-OD1 3.04Å; N103-N125 WeakPolarHBondContact CB-OD1 3.11Å; N103-N125 PolarHBondContact O-OD1 2.95Å
104F98.5Very high97.4Very high93 Ų9343.2 Ų43.241%0.40820%0.198SC..  trans-116.336.8-178.9-57.1-68000112N81 I82 K83 E106 N125 L126N81-F104 HydrophobicContact CB-CD2 4.27Å; N81-F104 HydrophobicContact CB-CE2 4.09Å; N81-F104 WeakPolarHBondContact OD1-CE2 3.49Å; I82-F104 CarbonylContact O-C 3.25Å; I82-F104 VanDerWaalsContact O-C 3.31Å; I82-F104 WeakPolarHBondContact O-CA 3.36Å; I82-F104 PolarHBondContact O-N 2.94Å; K83-F104 WeakPolarHBondContact CA-O 3.45Å; K83-F104 HydrophobicContact CG-CB 4.05Å; F104-E106 PolarHBondContact O-N 2.9Å; F104-N125 PolarHBondContact N-OD1 2.9Å; F104-L126 HydrophobicContact CB-CD1 4.09Å; F104-L126 HydrophobicContact CD1-CD1 4.15Å
105I98.6Very high97.3Very high0 Ų048.8 Ų48.80%022%0.215CC..  trans-76.5113.1-177.8-60.6166.2000109.5I82 L85 I100 N103 K107 L108 I122 N125 L126 V127I82-I105 HydrophobicContact CG2-CG1 4.49Å; I82-I105 PolarHBondContact O-N 3.15Å; L85-I105 HydrophobicContact CD2-CD1 3.85Å; I100-I105 HydrophobicContact CB-CD1 4.41Å; I100-I105 HydrophobicContact CD1-CD1 3.6Å; I100-I105 HydrophobicContact CG1-CD1 3.71Å; I100-I105 HydrophobicContact CG2-CD1 3.86Å; N103-I105 HydrophobicContact CB-CD1 4.47Å; N103-I105 HydrophobicContact CB-CG1 4.38Å; I105-K107 WeakPolarHBondContact CG2-O 3.3Å; I105-L108 HydrophobicContact CG2-CD2 4.07Å; I105-I122 HydrophobicContact CD1-CD1 4.14Å; I105-I122 HydrophobicContact CD1-CG1 4.49Å; I105-I122 HydrophobicContact CG2-CD1 4.29Å; I105-N125 HydrophobicContact CB-CB 4.23Å; I105-N125 VanDerWaalsContact CB-OD1 3.29Å; I105-N125 WeakPolarHBondContact CB-OD1 3.44Å; I105-N125 WeakPolarHBondContact CG1-OD1 3.08Å; I105-N125 PolarHBondContact N-OD1 2.93Å; I105-L126 CarbonylContact O-C 3.39Å; I105-L126 WeakPolarHBondContact O-CA 3.44Å; I105-L126 PolarHBondContact O-N 3.28Å; I105-V127 PolarHBondContact O-N 2.85Å
106E97.8Very high97.3Very high100 Ų10053.7 Ų53.747%0.46724%0.236SC..  trans-94.1-30.3174-69.5176.8-144.300112.7F104 L126F104-E106 PolarHBondContact O-N 2.9Å; E106-L126 HydrophobicContact CB-CB 4.42Å; E106-L126 HydrophobicContact CG-CB 3.55Å; E106-L126 HydrophobicContact CG-CD1 4.03Å; E106-L126 HydrophobicContact CG-CG 4.46Å
107K97.7Very high97.3Very high125 Ų12551.7 Ų51.754%0.54323%0.227SC..  trans-130.4137.1-172.7-62.1-173-179.6-176.40111.1I105 K109 E132I105-K107 WeakPolarHBondContact CG2-O 3.3Å; K107-K109 PolarHBondContact O-N 3.2Å; K107-E132 VanDerWaalsContact CA-OE2 3.3Å; K107-E132 WeakPolarHBondContact CA-OE2 3.05Å; K107-E132 HydrophobicContact CB-CG 4.49Å; K107-E132 WeakPolarHBondContact CB-OE2 3.05Å; K107-E132 HydrophobicContact CG-CG 4.33Å
108L97Very high97.2Very high0 Ų053.8 Ų53.80%024%0.236CC..  trans-90.226.5178.6-56.2-175000112L85 I105 G110 I111 I122 V127 E132 K135 L136L85-L108 HydrophobicContact CD1-CD2 4.33Å; I105-L108 HydrophobicContact CG2-CD2 4.07Å; L108-G110 PolarHBondContact O-N 2.67Å; L108-I111 HydrophobicContact CB-CB 4.33Å; L108-I111 HydrophobicContact CB-CG2 4.26Å; L108-I111 VanDerWaalsContact O-CB 3.31Å; L108-I111 WeakPolarHBondContact O-CB 3.44Å; L108-I111 VanDerWaalsContact O-CG2 3.22Å; L108-I111 WeakPolarHBondContact O-CG2 3.35Å; L108-I111 PolarHBondContact O-N 2.91Å; L108-I111 VanDerWaalsContact O-N 3.12Å; L108-I122 HydrophobicContact CD2-CD1 3.54Å; L108-V127 HydrophobicContact CD2-CG2 4.04Å; L108-V127 HydrophobicContact CG-CG2 4.33Å; L108-E132 PolarHBondContact N-OE2 3.41Å; L108-K135 HydrophobicContact CB-CD 4.42Å; L108-L136 HydrophobicContact CD1-CD1 4.21Å; L108-L136 HydrophobicContact CD1-CD2 3.86Å; L108-L136 HydrophobicContact CD1-CG 3.84Å
109K93.8Very high97.2Very high145 Ų14555.5 Ų55.563%0.6324%0.244SC*.THydrogen-bonded Turntrans-59.6129.5174.6-176.2178178.1178.90109.4K107K107-K109 PolarHBondContact O-N 3.2Å
110G93Very high97.2Very high7 Ų752.1 Ų52.17%0.07223%0.231CC..THydrogen-bonded Turntrans90.9-4.7-178.500000114.3L108 H112 V113L108-G110 PolarHBondContact O-N 2.67Å; G110-H112 PolarHBondContact O-N 3.18Å; G110-V113 WeakPolarHBondContact O-CG2 3.11Å; G110-V113 PolarHBondContact O-N 2.97Å
111I96.4Very high97.2Very high0 Ų055.1 Ų55.10%024%0.243CC..G310 helixtrans-56.8-38.6179.6-165.886.3000112.4L85 L108 V113 M114 L120 K135 L136 L139L85-I111 HydrophobicContact CD1-CB 4.01Å; L85-I111 HydrophobicContact CD1-CD1 3.5Å; L85-I111 VanDerWaalsContact CD1-CD1 3.5Å; L85-I111 HydrophobicContact CD1-CG1 4.35Å; L108-I111 HydrophobicContact CB-CB 4.33Å; L108-I111 HydrophobicContact CB-CG2 4.26Å; L108-I111 VanDerWaalsContact O-CB 3.31Å; L108-I111 WeakPolarHBondContact O-CB 3.44Å; L108-I111 VanDerWaalsContact O-CG2 3.22Å; L108-I111 WeakPolarHBondContact O-CG2 3.35Å; L108-I111 PolarHBondContact O-N 2.91Å; L108-I111 VanDerWaalsContact O-N 3.12Å; I111-V113 PolarHBondContact O-N 2.97Å; I111-M114 HydrophobicContact CD1-CE 3.4Å; I111-M114 VanDerWaalsContact CD1-CE 3.4Å; I111-M114 HydrophobicContact CG1-CE 3.96Å; I111-M114 PolarHBondContact O-N 2.94Å; I111-M114 VanDerWaalsContact O-N 3.12Å; I111-L120 HydrophobicContact CD1-CD2 4.06Å; I111-K135 HydrophobicContact CG2-CB 3.88Å; I111-L136 HydrophobicContact CD1-CD2 4.3Å; I111-L136 HydrophobicContact CG1-CD2 4.14Å; I111-L139 HydrophobicContact CD1-CD1 4.32Å; I111-L139 HydrophobicContact CG1-CD1 3.68Å; I111-L139 HydrophobicContact CG1-CD2 4.23Å; I111-L139 HydrophobicContact CG1-CG 4.17Å; I111-L139 VanDerWaalsContact O-CD2 3.31Å; I111-L139 WeakPolarHBondContact O-CD2 3.31Å
112H95.4Very high97.2Very high87 Ų8754.4 Ų54.440%0.40324%0.238SC..G310 helixtrans-59.9-15.5-175.160.6-98.6000115.4G110 M114 E138G110-H112 PolarHBondContact O-N 3.18Å; H112-M114 VanDerWaalsContact C-N 3.26Å; H112-M114 PolarHBondContact O-N 2.92Å; H112-E138 HydrophobicContact CB-CB 4.42Å; H112-E138 VanDerWaalsContact CB-OE2 3.31Å; H112-E138 WeakPolarHBondContact CB-OE2 3.02Å; H112-E138 IonicContact CG-OE2 3.96Å
113V95.5Very high97.2Very high32 Ų3250.2 Ų50.219%0.19422%0.224CC..G310 helixtrans-71.7-23.9178.4-51.60000112.1E89 G92 G110 I111 R115E89-V113 HydrophobicContact CG-CG1 4.12Å; E89-V113 HydrophobicContact CG-CG2 4.38Å; G92-V113 CarbonylContact C-O 3.39Å; G92-V113 VanDerWaalsContact CA-O 3.29Å; G92-V113 WeakPolarHBondContact CA-O 3.34Å; G110-V113 WeakPolarHBondContact O-CG2 3.11Å; G110-V113 PolarHBondContact O-N 2.97Å; I111-V113 PolarHBondContact O-N 2.97Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 2.76Å; V113-R115 VanDerWaalsContact O-N 3.08Å
114M96.8Very high97.2Very high0 Ų052.8 Ų52.80%024%0.238CC..  trans-87.666.9-176.3-59.9176.9-77.200111.8L88 G92 L95 L98 I111 H112 K116 L117 L139L88-M114 HydrophobicContact CB-SD 4.35Å; L88-M114 HydrophobicContact CD1-CE 4.02Å; L88-M114 HydrophobicContact CD1-SD 3.76Å; G92-M114 WeakPolarHBondContact O-CA 3.48Å; L95-M114 HydrophobicContact CD2-SD 3.73Å; L98-M114 HydrophobicContact CD2-CE 4.04Å; L98-M114 HydrophobicContact CD2-SD 3.98Å; I111-M114 HydrophobicContact CD1-CE 3.4Å; I111-M114 VanDerWaalsContact CD1-CE 3.4Å; I111-M114 HydrophobicContact CG1-CE 3.96Å; I111-M114 PolarHBondContact O-N 2.94Å; I111-M114 VanDerWaalsContact O-N 3.12Å; H112-M114 VanDerWaalsContact C-N 3.26Å; H112-M114 PolarHBondContact O-N 2.92Å; M114-K116 PolarHBondContact O-N 2.9Å; M114-K116 VanDerWaalsContact O-N 3.13Å; M114-L117 HydrophobicContact CB-CB 3.9Å; M114-L117 HydrophobicContact CB-CD2 4.42Å; M114-L117 HydrophobicContact CE-CD2 4.05Å; M114-L117 VanDerWaalsContact O-CB 3.27Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.39Å; M114-L117 HydrophobicContact SD-CD1 4.39Å; M114-L117 HydrophobicContact SD-CD2 4.23Å; M114-L139 WeakPolarHBondContact O-CD2 3.25Å
115R95.1Very high97.2Very high151 Ų15148.6 Ų48.657%0.5722%0.219SC*.THydrogen-bonded Turntrans-62.6-24.2-171.1-63.9-174.1-179.6-78.9-1.6114.2G92 V113 P140G92-R115 PolarHBondContact O-N 3.03Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 2.76Å; V113-R115 VanDerWaalsContact O-N 3.08Å; R115-P140 VanDerWaalsContact O-CG 3.32Å; R115-P140 WeakPolarHBondContact O-CG 3.24Å
116K97.5Very high97.2Very high104 Ų10451.7 Ų51.745%0.45224%0.236SC..THydrogen-bonded Turntrans-94.92.3178.6-65.7-169.4-174.21560114.3D93 L95 M114 K118D93-K116 WeakPolarHBondContact O-CD 3.48Å; D93-K116 WeakPolarHBondContact O-CE 3.33Å; D93-K116 PolarHBondContact O-NZ 3.19Å; L95-K116 CarbonylContact O-C 3.36Å; L95-K116 VanDerWaalsContact O-C 3.25Å; M114-K116 PolarHBondContact O-N 2.9Å; M114-K116 VanDerWaalsContact O-N 3.13Å; K116-K118 PolarHBondContact O-N 2.6Å
117L98.4Very high97.3Very high0 Ų046.9 Ų46.90%021%0.213CC..  trans-64.8118.5-176.8-164.872.5000110.5L95 L98 M114 L120 L139 C141 L142L95-L117 HydrophobicContact CD2-CD1 4.31Å; L95-L117 HydrophobicContact CG-CD1 4.38Å; L95-L117 PolarHBondContact O-N 3.43Å; L98-L117 HydrophobicContact CB-CD1 3.73Å; M114-L117 HydrophobicContact CB-CB 3.9Å; M114-L117 HydrophobicContact CB-CD2 4.42Å; M114-L117 HydrophobicContact CE-CD2 4.05Å; M114-L117 VanDerWaalsContact O-CB 3.27Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.39Å; M114-L117 HydrophobicContact SD-CD1 4.39Å; M114-L117 HydrophobicContact SD-CD2 4.23Å; L117-L120 HydrophobicContact CD2-CB 4.16Å; L117-L120 HydrophobicContact CD2-CD1 4.38Å; L117-L139 HydrophobicContact CD2-CD1 3.98Å; L117-C141 CarbonylContact O-C 3.39Å; L117-L142 VanDerWaalsContact O-CA 3.31Å; L117-L142 WeakPolarHBondContact O-CA 3.27Å; L117-L142 PolarHBondContact O-N 3.16Å; L117-L142 VanDerWaalsContact O-N 3.14Å
118K98.4Very high97.3Very high90 Ų9047.3 Ų47.339%0.39122%0.215SC..  trans-102.4-37.7178-65.1177.2-177.11760112.5E96 K116 C141 E143 D144E96-K118 PolarHBondContact O-N 2.98Å; K116-K118 PolarHBondContact O-N 2.6Å; K118-C141 VanDerWaalsContact CA-O 3.31Å; K118-C141 WeakPolarHBondContact CA-O 3.33Å; K118-C141 HydrophobicContact CG-CB 4.1Å; K118-E143 PolarHBondContact O-N 3.4Å; K118-D144 PolarHBondContact O-N 2.97Å
119I98.6Very high97.3Very high36 Ų3650 Ų5019%0.18523%0.23CC..EExtended strand (participates in β ladder)trans-123122.7-174.7-55.4-178.2000109.1E96 E97 L98 Y121 D144E96-I119 PolarHBondContact O-N 3.14Å; E96-I119 VanDerWaalsContact O-N 3.14Å; E97-I119 WeakPolarHBondContact CA-O 3.4Å; E97-I119 HydrophobicContact CB-CB 4.17Å; E97-I119 HydrophobicContact CG-CB 3.93Å; E97-I119 HydrophobicContact CG-CD1 4.03Å; E97-I119 HydrophobicContact CG-CG1 4.19Å; L98-I119 PolarHBondContact N-O 3.32Å; I119-Y121 HydrophobicContact CG2-CD1 3.91Å; I119-Y121 HydrophobicContact CG2-CD2 4.48Å; I119-Y121 HydrophobicContact CG2-CE1 3.41Å; I119-Y121 VanDerWaalsContact CG2-CE1 3.41Å; I119-Y121 HydrophobicContact CG2-CE2 4.04Å; I119-Y121 HydrophobicContact CG2-CG 4.43Å; I119-Y121 VanDerWaalsContact CG2-CZ 3.49Å; I119-D144 WeakPolarHBondContact CA-O 3.45Å; I119-D144 HydrophobicContact CB-CB 4.5Å; I119-D144 HydrophobicContact CG1-CB 4.07Å; I119-D144 HydrophobicContact CG2-CB 4.28Å
120L98.7Very high97.5Very high0 Ų045.2 Ų45.20%021%0.208CC..EExtended strand (participates in β ladder)trans-124.5112.9174.5177.460000110.1L98 I100 I111 L117 I122 L136 L142 D144 L145 V146L98-L120 HydrophobicContact CB-CD1 4.09Å; L98-L120 HydrophobicContact CD2-CD1 3.95Å; L98-L120 HydrophobicContact CG-CD1 4.12Å; I100-L120 HydrophobicContact CG2-CD1 4.43Å; I111-L120 HydrophobicContact CD1-CD2 4.06Å; L117-L120 HydrophobicContact CD2-CB 4.16Å; L117-L120 HydrophobicContact CD2-CD1 4.38Å; L120-I122 HydrophobicContact CD1-CB 4.25Å; L120-I122 HydrophobicContact CD2-CG2 4.31Å; L120-I122 HydrophobicContact CG-CB 4.22Å; L120-I122 HydrophobicContact CG-CG2 4.18Å; L120-L136 HydrophobicContact CD2-CD2 3.59Å; L120-L142 HydrophobicContact CB-CD1 3.79Å; L120-D144 PolarHBondContact N-O 2.83Å; L120-L145 HydrophobicContact CB-CD1 4.01Å; L120-L145 HydrophobicContact CD2-CD1 3.91Å; L120-L145 HydrophobicContact CG-CD1 3.98Å; L120-L145 WeakPolarHBondContact O-CA 3.43Å; L120-V146 PolarHBondContact O-N 3.14Å
121Y98.7Very high97.7Very high64 Ų6448.1 Ų48.125%0.25123%0.231SC..EExtended strand (participates in β ladder)trans-104.3109.6168.9-58.1-25000108.9L98 W99 I100 S101 I119 V146L98-Y121 PolarHBondContact O-N 2.95Å; W99-Y121 HydrophobicContact CB-CD2 4.39Å; W99-Y121 AromaticContact CD1-CD2 3.4Å; W99-Y121 AromaticContact CD1-CE2 3.93Å; W99-Y121 HydrophobicContact CD2-CD2 4.37Å; W99-Y121 AromaticContact CG-CD2 3.82Å; W99-Y121 HydrophobicContact CG-CD2 3.82Å; W99-Y121 AromaticContact NE1-CD2 3.79Å; W99-Y121 AromaticContact NE1-CE2 3.82Å; I100-Y121 CarbonylContact C-O 3.22Å; I100-Y121 PolarHBondContact N-O 2.78Å; S101-Y121 PolarHBondContact N-O 2.79Å; I119-Y121 HydrophobicContact CG2-CD1 3.91Å; I119-Y121 HydrophobicContact CG2-CD2 4.48Å; I119-Y121 HydrophobicContact CG2-CE1 3.41Å; I119-Y121 VanDerWaalsContact CG2-CE1 3.41Å; I119-Y121 HydrophobicContact CG2-CE2 4.04Å; I119-Y121 HydrophobicContact CG2-CG 4.43Å; I119-Y121 VanDerWaalsContact CG2-CZ 3.49Å; Y121-V146 HydrophobicContact CD1-CB 3.6Å; Y121-V146 HydrophobicContact CD1-CG2 3.42Å; Y121-V146 VanDerWaalsContact CD1-CG2 3.42Å; Y121-V146 HydrophobicContact CE1-CB 4.22Å; Y121-V146 HydrophobicContact CE1-CG2 3.49Å; Y121-V146 VanDerWaalsContact CE1-CG2 3.49Å; Y121-V146 HydrophobicContact CG-CB 4.32Å; Y121-V146 HydrophobicContact CG-CG2 4.4Å
122I98.6Very high97.8Very high0 Ų049.1 Ų49.10%024%0.235CC..  trans-131.120.1-176.5-166.7160.6000111.6I100 I105 L108 L120 N125 L145 V146 F147 N150I100-I122 HydrophobicContact CG2-CB 4.12Å; I100-I122 HydrophobicContact CG2-CD1 4.15Å; I100-I122 HydrophobicContact CG2-CG1 3.92Å; I105-I122 HydrophobicContact CD1-CD1 4.14Å; I105-I122 HydrophobicContact CD1-CG1 4.49Å; I105-I122 HydrophobicContact CG2-CD1 4.29Å; L108-I122 HydrophobicContact CD2-CD1 3.54Å; L120-I122 HydrophobicContact CD1-CB 4.25Å; L120-I122 HydrophobicContact CD2-CG2 4.31Å; L120-I122 HydrophobicContact CG-CB 4.22Å; L120-I122 HydrophobicContact CG-CG2 4.18Å; I122-N125 HydrophobicContact CG1-CB 4.14Å; I122-N125 WeakPolarHBondContact CG1-ND2 3.46Å; I122-N125 WeakPolarHBondContact O-CB 3.29Å; I122-N125 PolarHBondContact O-ND2 3.41Å; I122-L145 HydrophobicContact CG2-CD1 4.24Å; I122-V146 CarbonylContact C-O 3.41Å; I122-V146 PolarHBondContact N-O 3.35Å; I122-F147 HydrophobicContact CG2-CD2 3.38Å; I122-F147 HydrophobicContact CG2-CE2 3.84Å; I122-F147 HydrophobicContact CG2-CG 4.28Å; I122-N150 PolarHBondContact O-ND2 3.04Å
123S98.5Very high97.9Very high15 Ų1545 Ų4511%0.10522%0.216CC..  trans-55.3151.7176.851.60000113.2S101 Y102 N125 V146 V148S101-S123 CarbonylContact C-O 3.37Å; S101-S123 WeakPolarHBondContact CA-O 3.17Å; S101-S123 VanDerWaalsContact CB-O 3.25Å; S101-S123 WeakPolarHBondContact CB-O 3.33Å; S101-S123 VanDerWaalsContact CB-OG 3.24Å; S101-S123 WeakPolarHBondContact CB-OG 3.35Å; S101-S123 PolarHBondContact OG-N 2.73Å; S101-S123 PolarHBondContact OG-OG 3.3Å; Y102-S123 PolarHBondContact N-O 2.76Å; S123-N125 PolarHBondContact O-N 2.94Å; S123-N125 PolarHBondContact O-ND2 3.41Å; S123-V146 PolarHBondContact N-O 3.31Å; S123-V146 VanDerWaalsContact N-O 3.09Å; S123-V148 CarbonylContact C-O 3.5Å; S123-V148 WeakPolarHBondContact CA-O 3.4Å; S123-V148 WeakPolarHBondContact CB-O 3.3Å
124N98.7Very high98Very high60 Ų6046.4 Ų46.432%0.32123%0.225SC..SBendtrans54.252179.6-57-93.4000111.8Y102 N103 V148 G149Y102-N124 VanDerWaalsContact CA-O 3.23Å; Y102-N124 WeakPolarHBondContact CA-O 3.38Å; Y102-N124 HydrophobicContact CD1-CB 3.56Å; Y102-N124 HydrophobicContact CD2-CB 4.43Å; Y102-N124 HydrophobicContact CE1-CB 3.71Å; Y102-N124 VanDerWaalsContact CE1-CG 3.44Å; Y102-N124 HydrophobicContact CG-CB 3.96Å; Y102-N124 VanDerWaalsContact CZ-ND2 3.32Å; Y102-N124 PolarHBondContact N-O 2.87Å; Y102-N124 PolarHBondContact OH-ND2 3.3Å; N103-N124 PolarHBondContact N-O 3.04Å; N124-V148 PolarHBondContact N-O 2.85Å; N124-G149 WeakPolarHBondContact CA-O 2.94Å
125N98.7Very high98Very high4 Ų448.7 Ų48.72%0.02124%0.235CC..SBendtrans-117-163.6167.4-85.2-84.4000108.6I100 N103 F104 I105 I122 S123 N150 P151I100-N125 PolarHBondContact O-ND2 3.26Å; N103-N125 WeakPolarHBondContact CA-OD1 3.04Å; N103-N125 WeakPolarHBondContact CB-OD1 3.11Å; N103-N125 PolarHBondContact O-OD1 2.95Å; F104-N125 PolarHBondContact N-OD1 2.9Å; I105-N125 HydrophobicContact CB-CB 4.23Å; I105-N125 VanDerWaalsContact CB-OD1 3.29Å; I105-N125 WeakPolarHBondContact CB-OD1 3.44Å; I105-N125 WeakPolarHBondContact CG1-OD1 3.08Å; I105-N125 PolarHBondContact N-OD1 2.93Å; I122-N125 HydrophobicContact CG1-CB 4.14Å; I122-N125 WeakPolarHBondContact CG1-ND2 3.46Å; I122-N125 WeakPolarHBondContact O-CB 3.29Å; I122-N125 PolarHBondContact O-ND2 3.41Å; S123-N125 PolarHBondContact O-N 2.94Å; S123-N125 PolarHBondContact O-ND2 3.41Å; N125-N150 WeakPolarHBondContact CA-OD1 3.19Å; N125-N150 WeakPolarHBondContact CB-OD1 3.23Å; N125-N150 PolarHBondContact O-OD1 3.44Å; N125-P151 WeakPolarHBondContact O-CD 3.15Å
126L98.6Very high98.1Very high65 Ų6541.5 Ų41.534%0.3421%0.208SC..  trans-119.221.7-169.7-59.9178000113.2F104 I105 E106 K128 N150F104-L126 HydrophobicContact CB-CD1 4.09Å; F104-L126 HydrophobicContact CD1-CD1 4.15Å; I105-L126 CarbonylContact O-C 3.39Å; I105-L126 WeakPolarHBondContact O-CA 3.44Å; I105-L126 PolarHBondContact O-N 3.28Å; E106-L126 HydrophobicContact CB-CB 4.42Å; E106-L126 HydrophobicContact CG-CB 3.55Å; E106-L126 HydrophobicContact CG-CD1 4.03Å; E106-L126 HydrophobicContact CG-CG 4.46Å; L126-K128 PolarHBondContact O-N 3.2Å; L126-N150 PolarHBondContact N-OD1 3.22Å
127V98.6Very high98Very high0 Ų038.8 Ų38.80%020%0.204CC..  trans-72.4121.8179.4-173.40000109.8I105 L108 E132 F147 N150 P151 L152I105-V127 PolarHBondContact O-N 2.85Å; L108-V127 HydrophobicContact CD2-CG2 4.04Å; L108-V127 HydrophobicContact CG-CG2 4.33Å; V127-E132 HydrophobicContact CG1-CB 3.77Å; V127-F147 HydrophobicContact CB-CE1 4.28Å; V127-F147 HydrophobicContact CB-CE2 4.46Å; V127-F147 HydrophobicContact CB-CZ 3.61Å; V127-F147 HydrophobicContact CG1-CZ 3.71Å; V127-F147 HydrophobicContact CG2-CZ 4.14Å; V127-N150 HydrophobicContact CB-CB 4.46Å; V127-N150 PolarHBondContact N-OD1 3.21Å; V127-P151 WeakPolarHBondContact O-CD 3.5Å; V127-L152 WeakPolarHBondContact O-CB 3.31Å; V127-L152 PolarHBondContact O-N 2.85Å
128K97.8Very high97.9Very high133 Ų13344 Ų4458%0.57823%0.228SC*.  trans-119.8-9.4-165.368.8-177.2179.4-173.60116.1L126 P151L126-K128 PolarHBondContact O-N 3.2Å; K128-P151 HydrophobicContact CB-CB 3.96Å; K128-P151 HydrophobicContact CB-CG 4.47Å
129D97.1Very high97.8Very high58 Ų5839.7 Ų39.731%0.3121%0.21SC..SBendtrans-139.8155.4-174.264.366.8000112.6A131 E132 F133D129-A131 PolarHBondContact O-N 3.34Å; D129-A131 WeakPolarHBondContact OD1-CA 3.49Å; D129-A131 WeakPolarHBondContact OD1-CB 3.31Å; D129-A131 PolarHBondContact OD1-N 3.18Å; D129-E132 PolarHBondContact O-N 3.07Å; D129-E132 PolarHBondContact OD1-N 3.35Å; D129-F133 PolarHBondContact O-N 2.9Å
130W98.1Very high97.6Very high44 Ų4441.9 Ų41.917%0.16723%0.227CC..Hα-helixtrans-65.5-25.5179-70.2114000113.1E132 F133 V134 L152 H156 W162 E165 A166 R169W130-E132 VanDerWaalsContact C-N 3.27Å; W130-E132 PolarHBondContact O-N 2.93Å; W130-F133 HydrophobicContact CE3-CB 3.89Å; W130-F133 AromaticContact CE3-CD1 3.67Å; W130-F133 HydrophobicContact CE3-CD1 3.67Å; W130-F133 HydrophobicContact CE3-CE1 4.41Å; W130-F133 AromaticContact CE3-CG 3.86Å; W130-F133 HydrophobicContact CE3-CG 3.86Å; W130-F133 HydrophobicContact CZ3-CB 4.4Å; W130-F133 AromaticContact CZ3-CD1 3.55Å; W130-F133 HydrophobicContact CZ3-CD1 3.55Å; W130-F133 HydrophobicContact CZ3-CD2 4.42Å; W130-F133 AromaticContact CZ3-CE1 3.85Å; W130-F133 HydrophobicContact CZ3-CE1 3.85Å; W130-F133 AromaticContact CZ3-CG 3.87Å; W130-F133 HydrophobicContact CZ3-CG 3.87Å; W130-F133 HydrophobicContact CZ3-CZ 4.43Å; W130-F133 PolarHBondContact O-N 2.84Å; W130-V134 WeakPolarHBondContact O-CG1 3.16Å; W130-V134 WeakPolarHBondContact O-CG2 3.5Å; W130-V134 PolarHBondContact O-N 2.75Å; W130-L152 HydrophobicContact CD2-CD1 3.93Å; W130-L152 HydrophobicContact CD2-CD2 4.1Å; W130-L152 HydrophobicContact CD2-CG 4.49Å; W130-L152 HydrophobicContact CE3-CD1 4.46Å; W130-L152 HydrophobicContact CE3-CD2 3.8Å; W130-L152 HydrophobicContact CG-CD1 4.12Å; W130-L152 HydrophobicContact CZ2-CD1 4.31Å; W130-L152 HydrophobicContact CZ3-CD2 4.05Å; W130-H156 AromaticContact CE2-CD2 3.76Å; W130-H156 AromaticContact CE2-NE2 3.48Å; W130-H156 AromaticContact CZ2-CD2 3.46Å; W130-H156 VanDerWaalsContact CZ2-CD2 3.46Å; W130-H156 WeakPolarHBondContact CZ2-CD2 3.47Å; W130-H156 AromaticContact CZ2-CE1 3.88Å; W130-H156 AromaticContact CZ2-CG 3.73Å; W130-H156 AromaticContact CZ2-ND1 3.96Å; W130-H156 AromaticContact CZ2-NE2 3.58Å; W130-H156 AromaticContact NE1-CD2 3.67Å; W130-H156 AromaticContact NE1-CE1 3.5Å; W130-H156 AromaticContact NE1-NE2 2.92Å; W130-H156 PolarHBondContact NE1-NE2 3.05Å; W130-W162 AromaticContact CH2-CE3 3.75Å; W130-W162 HydrophobicContact CH2-CE3 3.75Å; W130-W162 HydrophobicContact CH2-CH2 4.49Å; W130-W162 AromaticContact CH2-CZ3 3.46Å; W130-W162 HydrophobicContact CH2-CZ3 3.46Å; W130-W162 VanDerWaalsContact CH2-CZ3 3.46Å; W130-W162 HydrophobicContact CZ2-CE3 4.39Å; W130-W162 HydrophobicContact CZ2-CZ3 4.27Å; W130-W162 AromaticContact CZ3-CZ3 3.82Å; W130-W162 HydrophobicContact CZ3-CZ3 3.82Å; W130-E165 HydrophobicContact CH2-CB 3.62Å; W130-E165 HydrophobicContact CZ2-CB 3.52Å; W130-E165 HydrophobicContact CZ2-CG 4.42Å; W130-A166 HydrophobicContact CH2-CB 4.29Å; W130-A166 HydrophobicContact CZ3-CB 4.37Å; W130-R169 VanDerWaalsContact CD2-NE 3.35Å
131A97.5Very high97.6Very high67 Ų6744.1 Ų44.155%0.55424%0.242SC*.Hα-helixtrans-66.8-31.2-178.900000111.9D129 V134 K135D129-A131 PolarHBondContact O-N 3.34Å; D129-A131 WeakPolarHBondContact OD1-CA 3.49Å; D129-A131 WeakPolarHBondContact OD1-CB 3.31Å; D129-A131 PolarHBondContact OD1-N 3.18Å; A131-V134 WeakPolarHBondContact O-CG2 3.49Å; A131-K135 WeakPolarHBondContact O-CE 3.16Å
132E97.8Very high97.5Very high22 Ų2241.1 Ų41.110%0.10323%0.23CC..Hα-helixtrans-76.5-43.1168.5-65.2-59.8140.200111.9K107 L108 V127 D129 W130 V134 K135K107-E132 VanDerWaalsContact CA-OE2 3.3Å; K107-E132 WeakPolarHBondContact CA-OE2 3.05Å; K107-E132 HydrophobicContact CB-CG 4.49Å; K107-E132 WeakPolarHBondContact CB-OE2 3.05Å; K107-E132 HydrophobicContact CG-CG 4.33Å; L108-E132 PolarHBondContact N-OE2 3.41Å; V127-E132 HydrophobicContact CG1-CB 3.77Å; D129-E132 PolarHBondContact O-N 3.07Å; D129-E132 PolarHBondContact OD1-N 3.35Å; W130-E132 VanDerWaalsContact C-N 3.27Å; W130-E132 PolarHBondContact O-N 2.93Å; E132-V134 PolarHBondContact O-N 3.06Å; E132-K135 WeakPolarHBondContact O-CB 3.39Å; E132-K135 WeakPolarHBondContact O-CG 3.39Å; E132-K135 PolarHBondContact O-N 3.23Å; E132-K135 IonicContact OE1-NZ 3.66Å; E132-K135 PolarHBondContact OE1-NZ 2.67Å; E132-K135 IonicContact OE2-NZ 3.22Å; E132-K135 PolarHBondContact OE2-NZ 2.91Å
133F98.1Very high97.4Very high0 Ų044.6 Ų44.60%025%0.246CC..Hα-helixtrans-61.3-42.3-178.1-172.5-89.8000113.5D129 W130 K135 L136 L145 F147 L152 W162 A166 R169 V170D129-F133 PolarHBondContact O-N 2.9Å; W130-F133 HydrophobicContact CE3-CB 3.89Å; W130-F133 AromaticContact CE3-CD1 3.67Å; W130-F133 HydrophobicContact CE3-CD1 3.67Å; W130-F133 HydrophobicContact CE3-CE1 4.41Å; W130-F133 AromaticContact CE3-CG 3.86Å; W130-F133 HydrophobicContact CE3-CG 3.86Å; W130-F133 HydrophobicContact CZ3-CB 4.4Å; W130-F133 AromaticContact CZ3-CD1 3.55Å; W130-F133 HydrophobicContact CZ3-CD1 3.55Å; W130-F133 HydrophobicContact CZ3-CD2 4.42Å; W130-F133 AromaticContact CZ3-CE1 3.85Å; W130-F133 HydrophobicContact CZ3-CE1 3.85Å; W130-F133 AromaticContact CZ3-CG 3.87Å; W130-F133 HydrophobicContact CZ3-CG 3.87Å; W130-F133 HydrophobicContact CZ3-CZ 4.43Å; W130-F133 PolarHBondContact O-N 2.84Å; F133-K135 PolarHBondContact O-N 3.14Å; F133-L136 HydrophobicContact CD2-CD1 3.95Å; F133-L136 HydrophobicContact CE2-CD1 3.88Å; F133-L136 HydrophobicContact CG-CD1 4.4Å; F133-L136 HydrophobicContact CZ-CD1 4.29Å; F133-L136 VanDerWaalsContact O-CB 3.27Å; F133-L136 WeakPolarHBondContact O-CB 3.4Å; F133-L136 VanDerWaalsContact O-CG 3.32Å; F133-L136 WeakPolarHBondContact O-CG 3.2Å; F133-L136 PolarHBondContact O-N 2.82Å; F133-L145 HydrophobicContact CE2-CD2 3.9Å; F133-L145 HydrophobicContact CZ-CD2 4Å; F133-F147 HydrophobicContact CD2-CD2 4.36Å; F133-F147 HydrophobicContact CD2-CE1 4.1Å; F133-F147 AromaticContact CD2-CE2 3.94Å; F133-F147 HydrophobicContact CD2-CE2 3.94Å; F133-F147 AromaticContact CD2-CZ 3.77Å; F133-F147 HydrophobicContact CD2-CZ 3.77Å; F133-F147 HydrophobicContact CE2-CD1 4.44Å; F133-F147 HydrophobicContact CE2-CD2 4.19Å; F133-F147 HydrophobicContact CE2-CE1 4.46Å; F133-F147 HydrophobicContact CE2-CE2 4.23Å; F133-F147 HydrophobicContact CE2-CG 4.29Å; F133-F147 HydrophobicContact CE2-CZ 4.35Å; F133-L152 HydrophobicContact CB-CD2 3.64Å; F133-L152 HydrophobicContact CD2-CD2 3.98Å; F133-L152 HydrophobicContact CG-CD2 4Å; F133-W162 AromaticContact CD2-CH2 3.9Å; F133-W162 HydrophobicContact CD2-CH2 3.9Å; F133-W162 AromaticContact CE2-CH2 3.45Å; F133-W162 HydrophobicContact CE2-CH2 3.45Å; F133-W162 VanDerWaalsContact CE2-CH2 3.45Å; F133-W162 HydrophobicContact CE2-CZ2 4.03Å; F133-W162 HydrophobicContact CE2-CZ3 4.37Å; F133-W162 HydrophobicContact CZ-CH2 4.06Å; F133-A166 HydrophobicContact CE1-CB 3.99Å; F133-A166 HydrophobicContact CZ-CB 3.66Å; F133-R169 HydrophobicContact CD1-CB 4.31Å; F133-R169 HydrophobicContact CE1-CB 4.3Å; F133-V170 HydrophobicContact CD1-CG2 4.06Å; F133-V170 HydrophobicContact CE1-CB 4.45Å; F133-V170 HydrophobicContact CE1-CG2 3.49Å; F133-V170 VanDerWaalsContact CE1-CG2 3.49Å; F133-V170 HydrophobicContact CZ-CG2 4.18Å
134V97.2Very high97.4Very high61 Ų6144.8 Ų44.837%0.3725%0.246SC..G310 helixtrans-60.8-19.2-178.9-66.90000113.3W130 A131 E132 L136 A137 R169W130-V134 WeakPolarHBondContact O-CG1 3.16Å; W130-V134 WeakPolarHBondContact O-CG2 3.5Å; W130-V134 PolarHBondContact O-N 2.75Å; A131-V134 WeakPolarHBondContact O-CG2 3.49Å; E132-V134 PolarHBondContact O-N 3.06Å; V134-L136 PolarHBondContact O-N 2.75Å; V134-A137 WeakPolarHBondContact O-CB 3.19Å; V134-A137 PolarHBondContact O-N 3.23Å; V134-R169 HydrophobicContact CG1-CB 4.2Å; V134-R169 HydrophobicContact CG1-CG 4.09Å
135K97.4Very high97.4Very high49 Ų4942 Ų4221%0.21323%0.231CC..G310 helixtrans-63.2-23174.1-59.2176.7-173171.80112.4L108 I111 A131 E132 F133 A137 E138L108-K135 HydrophobicContact CB-CD 4.42Å; I111-K135 HydrophobicContact CG2-CB 3.88Å; A131-K135 WeakPolarHBondContact O-CE 3.16Å; E132-K135 WeakPolarHBondContact O-CB 3.39Å; E132-K135 WeakPolarHBondContact O-CG 3.39Å; E132-K135 PolarHBondContact O-N 3.23Å; E132-K135 IonicContact OE1-NZ 3.66Å; E132-K135 PolarHBondContact OE1-NZ 2.67Å; E132-K135 IonicContact OE2-NZ 3.22Å; E132-K135 PolarHBondContact OE2-NZ 2.91Å; F133-K135 PolarHBondContact O-N 3.14Å; K135-A137 PolarHBondContact O-N 2.99Å; K135-E138 VanDerWaalsContact O-CB 3.31Å; K135-E138 WeakPolarHBondContact O-CB 3.17Å; K135-E138 PolarHBondContact O-N 3.41Å; K135-E138 VanDerWaalsContact O-N 3.1Å
136L97.7Very high97.4Very high0 Ų043.2 Ų43.20%024%0.239CC..G310 helixtrans-64-25.5172.2-61.9174.6000111.7L108 I111 L120 F133 V134 E138 L139 L142 L145 F147 V170 K172L108-L136 HydrophobicContact CD1-CD1 4.21Å; L108-L136 HydrophobicContact CD1-CD2 3.86Å; L108-L136 HydrophobicContact CD1-CG 3.84Å; I111-L136 HydrophobicContact CD1-CD2 4.3Å; I111-L136 HydrophobicContact CG1-CD2 4.14Å; L120-L136 HydrophobicContact CD2-CD2 3.59Å; F133-L136 HydrophobicContact CD2-CD1 3.95Å; F133-L136 HydrophobicContact CE2-CD1 3.88Å; F133-L136 HydrophobicContact CG-CD1 4.4Å; F133-L136 HydrophobicContact CZ-CD1 4.29Å; F133-L136 VanDerWaalsContact O-CB 3.27Å; F133-L136 WeakPolarHBondContact O-CB 3.4Å; F133-L136 VanDerWaalsContact O-CG 3.32Å; F133-L136 WeakPolarHBondContact O-CG 3.2Å; F133-L136 PolarHBondContact O-N 2.82Å; V134-L136 PolarHBondContact O-N 2.75Å; L136-E138 PolarHBondContact O-N 3.01Å; L136-L139 HydrophobicContact CD2-CD1 4.15Å; L136-L139 WeakPolarHBondContact O-CB 3.24Å; L136-L139 PolarHBondContact O-N 2.91Å; L136-L142 HydrophobicContact CB-CD2 4.01Å; L136-L142 HydrophobicContact CD2-CD2 4.25Å; L136-L145 HydrophobicContact CD1-CD1 4.26Å; L136-L145 HydrophobicContact CD1-CD2 3.76Å; L136-F147 HydrophobicContact CD1-CE2 4.41Å; L136-V170 HydrophobicContact CB-CG1 4.43Å; L136-V170 HydrophobicContact CB-CG2 3.95Å; L136-K172 WeakPolarHBondContact O-CE 3.23Å; L136-K172 PolarHBondContact O-NZ 2.97Å
137A96.1Very high97.4Very high46 Ų4640.1 Ų40.138%0.3822%0.222SC..G310 helixtrans-65-16.6173.700000113V134 K135 R169 V170 K172V134-A137 WeakPolarHBondContact O-CB 3.19Å; V134-A137 PolarHBondContact O-N 3.23Å; K135-A137 PolarHBondContact O-N 2.99Å; A137-R169 WeakPolarHBondContact CB-O 3.47Å; A137-V170 HydrophobicContact CB-CG2 4.48Å; A137-K172 PolarHBondContact O-NZ 3.35Å
138E94.5Very high97.4Very high109 Ų10943.1 Ų43.151%0.50924%0.241SC..G310 helixtrans-78.9-16.1176.1-58.5173.2-155.100113.4H112 K135 L136 P140H112-E138 HydrophobicContact CB-CB 4.42Å; H112-E138 VanDerWaalsContact CB-OE2 3.31Å; H112-E138 WeakPolarHBondContact CB-OE2 3.02Å; H112-E138 IonicContact CG-OE2 3.96Å; K135-E138 VanDerWaalsContact O-CB 3.31Å; K135-E138 WeakPolarHBondContact O-CB 3.17Å; K135-E138 PolarHBondContact O-N 3.41Å; K135-E138 VanDerWaalsContact O-N 3.1Å; L136-E138 PolarHBondContact O-N 3.01Å; E138-P140 VanDerWaalsContact O-CD 3.26Å; E138-P140 WeakPolarHBondContact O-CD 3.04Å
139L96.8Very high97.4Very high0 Ų037.3 Ų37.30%022%0.219CC..  trans-83.898-177.3-67.8177.6000113.5I111 M114 L117 L136 C141 L142 K172I111-L139 HydrophobicContact CD1-CD1 4.32Å; I111-L139 HydrophobicContact CG1-CD1 3.68Å; I111-L139 HydrophobicContact CG1-CD2 4.23Å; I111-L139 HydrophobicContact CG1-CG 4.17Å; I111-L139 VanDerWaalsContact O-CD2 3.31Å; I111-L139 WeakPolarHBondContact O-CD2 3.31Å; M114-L139 WeakPolarHBondContact O-CD2 3.25Å; L117-L139 HydrophobicContact CD2-CD1 3.98Å; L136-L139 HydrophobicContact CD2-CD1 4.15Å; L136-L139 WeakPolarHBondContact O-CB 3.24Å; L136-L139 PolarHBondContact O-N 2.91Å; L139-C141 PolarHBondContact O-N 2.97Å; L139-L142 HydrophobicContact CB-CB 3.83Å; L139-L142 HydrophobicContact CD1-CB 4.22Å; L139-L142 HydrophobicContact CD1-CD1 4.44Å; L139-L142 HydrophobicContact CD1-CD2 4.05Å; L139-L142 HydrophobicContact CD1-CG 4.47Å; L139-L142 PolarHBondContact O-N 3.04Å; L139-K172 WeakPolarHBondContact O-CD 3.28Å; L139-K172 WeakPolarHBondContact O-CE 3.38Å; L139-K172 PolarHBondContact O-NZ 3.44Å
140P95.5Very high97.5Very high83 Ų8334.6 Ų34.654%0.53920%0.204SC..THydrogen-bonded Turntrans-61.5-24.4-164.826.6-35.6000114.6R115 E138R115-P140 VanDerWaalsContact O-CG 3.32Å; R115-P140 WeakPolarHBondContact O-CG 3.24Å; E138-P140 VanDerWaalsContact O-CD 3.26Å; E138-P140 WeakPolarHBondContact O-CD 3.04Å
141C97Very high97.5Very high47 Ų4734.9 Ų34.932%0.31821%0.212SC..THydrogen-bonded Turntrans-105.83.1-176-590000115L117 K118 L139 E143L117-C141 CarbonylContact O-C 3.39Å; K118-C141 VanDerWaalsContact CA-O 3.31Å; K118-C141 WeakPolarHBondContact CA-O 3.33Å; K118-C141 HydrophobicContact CG-CB 4.1Å; L139-C141 PolarHBondContact O-N 2.97Å; C141-E143 WeakPolarHBondContact O-CG 3.32Å; C141-E143 PolarHBondContact O-N 2.66Å
142L97.9Very high97.6Very high1 Ų131.8 Ų31.81%0.00519%0.186CC..  trans-69122.3-174.6-178.672.2000111.2L117 L120 L136 L139 V170 L173L117-L142 VanDerWaalsContact O-CA 3.31Å; L117-L142 WeakPolarHBondContact O-CA 3.27Å; L117-L142 PolarHBondContact O-N 3.16Å; L117-L142 VanDerWaalsContact O-N 3.14Å; L120-L142 HydrophobicContact CB-CD1 3.79Å; L136-L142 HydrophobicContact CB-CD2 4.01Å; L136-L142 HydrophobicContact CD2-CD2 4.25Å; L139-L142 HydrophobicContact CB-CB 3.83Å; L139-L142 HydrophobicContact CD1-CB 4.22Å; L139-L142 HydrophobicContact CD1-CD1 4.44Å; L139-L142 HydrophobicContact CD1-CD2 4.05Å; L139-L142 HydrophobicContact CD1-CG 4.47Å; L139-L142 PolarHBondContact O-N 3.04Å; L142-V170 HydrophobicContact CD2-CG1 4.48Å; L142-L173 HydrophobicContact CD2-CD2 4Å; L142-L173 HydrophobicContact CG-CD2 3.94Å
143E97Very high97.6Very high72 Ų7231.6 Ų31.634%0.33619%0.185SC..  trans-127.3-38.6-173.8-71-179.7-174.600113.6K118 C141 K174 K175K118-E143 PolarHBondContact O-N 3.4Å; C141-E143 WeakPolarHBondContact O-CG 3.32Å; C141-E143 PolarHBondContact O-N 2.66Å; E143-K174 HydrophobicContact CB-CB 4.43Å; E143-K174 HydrophobicContact CB-CD 4.23Å; E143-K174 HydrophobicContact CB-CG 4.28Å; E143-K174 VanDerWaalsContact CD-CE 3.42Å; E143-K174 HydrophobicContact CG-CD 4.01Å; E143-K174 HydrophobicContact CG-CG 4.25Å; E143-K174 PolarHBondContact O-N 3.01Å; E143-K174 WeakPolarHBondContact OE1-CE 3.12Å; E143-K174 IonicContact OE1-NZ 2.87Å; E143-K174 PolarHBondContact OE1-NZ 2.56Å; E143-K174 WeakPolarHBondContact OE2-CD 3.41Å; E143-K174 WeakPolarHBondContact OE2-CE 3.45Å; E143-K174 IonicContact OE2-NZ 3.88Å; E143-K174 PolarHBondContact OE2-NZ 3.21Å; E143-K175 PolarHBondContact O-N 3.05Å
144D98.1Very high97.6Very high20 Ų2037 Ų3711%0.10721%0.211CC..EExtended strand (participates in β ladder)trans-116.8117.7179.3-165.4-21.3000110K118 I119 L120 K175K118-D144 PolarHBondContact O-N 2.97Å; I119-D144 WeakPolarHBondContact CA-O 3.45Å; I119-D144 HydrophobicContact CB-CB 4.5Å; I119-D144 HydrophobicContact CG1-CB 4.07Å; I119-D144 HydrophobicContact CG2-CB 4.28Å; L120-D144 PolarHBondContact N-O 2.83Å; D144-K175 HydrophobicContact CB-CB 4.44Å; D144-K175 IonicContact OD1-NZ 2.8Å; D144-K175 WeakPolarHBondContact OD2-CD 3.2Å; D144-K175 IonicContact OD2-NZ 2.76Å; D144-K175 PolarHBondContact OD2-NZ 2.69Å
145L98.6Very high97.6Very high0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-122.3127.6179.8179.463.9000110L120 I122 F133 L136 F147 L173 K175 L176 D177L120-L145 HydrophobicContact CB-CD1 4.01Å; L120-L145 HydrophobicContact CD2-CD1 3.91Å; L120-L145 HydrophobicContact CG-CD1 3.98Å; L120-L145 WeakPolarHBondContact O-CA 3.43Å; I122-L145 HydrophobicContact CG2-CD1 4.24Å; F133-L145 HydrophobicContact CE2-CD2 3.9Å; F133-L145 HydrophobicContact CZ-CD2 4Å; L136-L145 HydrophobicContact CD1-CD1 4.26Å; L136-L145 HydrophobicContact CD1-CD2 3.76Å; L145-F147 HydrophobicContact CD1-CD2 4.17Å; L145-F147 HydrophobicContact CD2-CB 4.41Å; L145-F147 HydrophobicContact CD2-CD2 4.34Å; L145-F147 HydrophobicContact CG-CB 4.21Å; L145-F147 HydrophobicContact CG-CD2 4.48Å; L145-L173 HydrophobicContact CB-CD1 4.27Å; L145-L173 HydrophobicContact CB-CD2 3.7Å; L145-L173 HydrophobicContact CD2-CD1 3.98Å; L145-K175 PolarHBondContact N-O 2.87Å; L145-L176 HydrophobicContact CB-CD1 4.15Å; L145-L176 HydrophobicContact CD2-CD1 3.89Å; L145-L176 HydrophobicContact CG-CD1 4.07Å; L145-L176 CarbonylContact O-C 3.54Å; L145-L176 WeakPolarHBondContact O-CA 3.39Å; L145-D177 PolarHBondContact O-N 3.19Å
146V98.6Very high97.7Very high30 Ų3038 Ų3818%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-117.4109.7166.5-178.50000108.5L120 Y121 I122 S123 V148 D177L120-V146 PolarHBondContact O-N 3.14Å; Y121-V146 HydrophobicContact CD1-CB 3.6Å; Y121-V146 HydrophobicContact CD1-CG2 3.42Å; Y121-V146 VanDerWaalsContact CD1-CG2 3.42Å; Y121-V146 HydrophobicContact CE1-CB 4.22Å; Y121-V146 HydrophobicContact CE1-CG2 3.49Å; Y121-V146 VanDerWaalsContact CE1-CG2 3.49Å; Y121-V146 HydrophobicContact CG-CB 4.32Å; Y121-V146 HydrophobicContact CG-CG2 4.4Å; I122-V146 CarbonylContact C-O 3.41Å; I122-V146 PolarHBondContact N-O 3.35Å; S123-V146 PolarHBondContact N-O 3.31Å; S123-V146 VanDerWaalsContact N-O 3.09Å; V146-V148 HydrophobicContact CG1-CG2 4.49Å; V146-D177 WeakPolarHBondContact CA-OD1 3.38Å
147F98.5Very high97.7Very high0 Ų040.5 Ų40.50%023%0.228CC..  trans-118.7-7.4-172.1-153-94000113.1I122 V127 F133 L136 L145 G149 N150 L152 E153 W162 D177I122-F147 HydrophobicContact CG2-CD2 3.38Å; I122-F147 HydrophobicContact CG2-CE2 3.84Å; I122-F147 HydrophobicContact CG2-CG 4.28Å; V127-F147 HydrophobicContact CB-CE1 4.28Å; V127-F147 HydrophobicContact CB-CE2 4.46Å; V127-F147 HydrophobicContact CB-CZ 3.61Å; V127-F147 HydrophobicContact CG1-CZ 3.71Å; V127-F147 HydrophobicContact CG2-CZ 4.14Å; F133-F147 HydrophobicContact CD2-CD2 4.36Å; F133-F147 HydrophobicContact CD2-CE1 4.1Å; F133-F147 AromaticContact CD2-CE2 3.94Å; F133-F147 HydrophobicContact CD2-CE2 3.94Å; F133-F147 AromaticContact CD2-CZ 3.77Å; F133-F147 HydrophobicContact CD2-CZ 3.77Å; F133-F147 HydrophobicContact CE2-CD1 4.44Å; F133-F147 HydrophobicContact CE2-CD2 4.19Å; F133-F147 HydrophobicContact CE2-CE1 4.46Å; F133-F147 HydrophobicContact CE2-CE2 4.23Å; F133-F147 HydrophobicContact CE2-CG 4.29Å; F133-F147 HydrophobicContact CE2-CZ 4.35Å; L136-F147 HydrophobicContact CD1-CE2 4.41Å; L145-F147 HydrophobicContact CD1-CD2 4.17Å; L145-F147 HydrophobicContact CD2-CB 4.41Å; L145-F147 HydrophobicContact CD2-CD2 4.34Å; L145-F147 HydrophobicContact CG-CB 4.21Å; L145-F147 HydrophobicContact CG-CD2 4.48Å; F147-G149 PolarHBondContact O-N 2.83Å; F147-N150 HydrophobicContact CD1-CB 3.69Å; F147-N150 HydrophobicContact CE1-CB 3.4Å; F147-N150 VanDerWaalsContact CE1-CB 3.4Å; F147-N150 HydrophobicContact CZ-CB 4.14Å; F147-N150 PolarHBondContact O-N 2.93Å; F147-N150 PolarHBondContact O-ND2 2.99Å; F147-L152 HydrophobicContact CE1-CB 4.33Å; F147-L152 HydrophobicContact CE1-CD2 4.32Å; F147-E153 HydrophobicContact CD1-CB 3.88Å; F147-W162 HydrophobicContact CB-CZ2 3.92Å; F147-W162 AromaticContact CD1-CH2 3.58Å; F147-W162 HydrophobicContact CD1-CH2 3.58Å; F147-W162 AromaticContact CD1-CZ2 3.72Å; F147-W162 HydrophobicContact CD1-CZ2 3.72Å; F147-W162 AromaticContact CE1-CH2 3.97Å; F147-W162 HydrophobicContact CE1-CH2 3.97Å; F147-W162 HydrophobicContact CG-CH2 4.22Å; F147-W162 HydrophobicContact CG-CZ2 4.07Å; F147-D177 PolarHBondContact N-OD1 3.43Å
148V98.3Very high97.8Very high63 Ų6342.7 Ų42.738%0.38225%0.246SC..THydrogen-bonded Turntrans-39.6135.5178-175.90000113.7S123 N124 V146 N150 E153 D177S123-V148 CarbonylContact C-O 3.5Å; S123-V148 WeakPolarHBondContact CA-O 3.4Å; S123-V148 WeakPolarHBondContact CB-O 3.3Å; N124-V148 PolarHBondContact N-O 2.85Å; V146-V148 HydrophobicContact CG1-CG2 4.49Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-E153 WeakPolarHBondContact CA-OE2 3.5Å; V148-D177 HydrophobicContact CG2-CB 3.61Å; V148-D177 VanDerWaalsContact CG2-CG 3.45Å; V148-D177 WeakPolarHBondContact CG2-OD1 3.33Å; V148-D177 PolarHBondContact N-OD1 3.47Å
149G98Very high97.9Very high12 Ų1242.4 Ų42.412%0.12424%0.244CC..THydrogen-bonded Turntrans79.614.1174.900000114N124 F147 E153N124-G149 WeakPolarHBondContact CA-O 2.94Å; F147-G149 PolarHBondContact O-N 2.83Å; G149-E153 PolarHBondContact N-OE2 2.89Å
150N98.7Very high97.9Very high0 Ų045.8 Ų45.80%028%0.279CS..SBendtrans-87143.4162.4-80.5-90000108.8I122 N125 L126 V127 F147 V148 L152 E153 E154I122-N150 PolarHBondContact O-ND2 3.04Å; N125-N150 WeakPolarHBondContact CA-OD1 3.19Å; N125-N150 WeakPolarHBondContact CB-OD1 3.23Å; N125-N150 PolarHBondContact O-OD1 3.44Å; L126-N150 PolarHBondContact N-OD1 3.22Å; V127-N150 HydrophobicContact CB-CB 4.46Å; V127-N150 PolarHBondContact N-OD1 3.21Å; F147-N150 HydrophobicContact CD1-CB 3.69Å; F147-N150 HydrophobicContact CE1-CB 3.4Å; F147-N150 VanDerWaalsContact CE1-CB 3.4Å; F147-N150 HydrophobicContact CZ-CB 4.14Å; F147-N150 PolarHBondContact O-N 2.93Å; F147-N150 PolarHBondContact O-ND2 2.99Å; V148-N150 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 3.46Å; N150-E153 PolarHBondContact O-N 3.3Å; N150-E154 PolarHBondContact O-N 3.22Å
151P98.6Very high97.9Very high50 Ų5043.7 Ų43.733%0.32526%0.263SS..Hα-helixtrans-53-32.3-178.3-28.432.9000115N125 V127 K128 K155N125-P151 WeakPolarHBondContact O-CD 3.15Å; V127-P151 WeakPolarHBondContact O-CD 3.5Å; K128-P151 HydrophobicContact CB-CB 3.96Å; K128-P151 HydrophobicContact CB-CG 4.47Å; P151-K155 WeakPolarHBondContact O-CB 3.44Å; P151-K155 PolarHBondContact O-N 3.39Å
152L98.5Very high98Very high2 Ų241.8 Ų41.81%0.0125%0.25CC..Hα-helixtrans-64.7-47.4174.4178.968.5000111.9V127 W130 F133 F147 N150 H156 W162V127-L152 WeakPolarHBondContact O-CB 3.31Å; V127-L152 PolarHBondContact O-N 2.85Å; W130-L152 HydrophobicContact CD2-CD1 3.93Å; W130-L152 HydrophobicContact CD2-CD2 4.1Å; W130-L152 HydrophobicContact CD2-CG 4.49Å; W130-L152 HydrophobicContact CE3-CD1 4.46Å; W130-L152 HydrophobicContact CE3-CD2 3.8Å; W130-L152 HydrophobicContact CG-CD1 4.12Å; W130-L152 HydrophobicContact CZ2-CD1 4.31Å; W130-L152 HydrophobicContact CZ3-CD2 4.05Å; F133-L152 HydrophobicContact CB-CD2 3.64Å; F133-L152 HydrophobicContact CD2-CD2 3.98Å; F133-L152 HydrophobicContact CG-CD2 4Å; F147-L152 HydrophobicContact CE1-CB 4.33Å; F147-L152 HydrophobicContact CE1-CD2 4.32Å; N150-L152 PolarHBondContact O-N 3.46Å; L152-H156 PolarHBondContact O-CD2 2.81Å; L152-H156 VanDerWaalsContact O-CD2 3.31Å; L152-H156 PolarHBondContact O-N 2.8Å; L152-W162 HydrophobicContact CD2-CH2 4.37Å; L152-W162 HydrophobicContact CD2-CZ3 4.05Å; L152-W162 HydrophobicContact CG-CZ3 3.96Å
153E98.3Very high97.8Very high19 Ų1945 Ų459%0.08927%0.266CS..Hα-helixtrans-68.1-47.6-179.5177.3-81.4145.500110.7F147 V148 G149 N150 K155 H156 S157 W162F147-E153 HydrophobicContact CD1-CB 3.88Å; V148-E153 WeakPolarHBondContact CA-OE2 3.5Å; G149-E153 PolarHBondContact N-OE2 2.89Å; N150-E153 PolarHBondContact O-N 3.3Å; E153-K155 PolarHBondContact O-N 3.03Å; E153-H156 PolarHBondContact O-N 3.32Å; E153-H156 VanDerWaalsContact O-N 3.09Å; E153-S157 VanDerWaalsContact O-CB 3.28Å; E153-S157 WeakPolarHBondContact O-CB 3.43Å; E153-S157 PolarHBondContact O-N 3.46Å; E153-S157 PolarHBondContact O-OG 2.92Å; E153-S157 WeakPolarHBondContact OE1-CB 2.98Å; E153-S157 PolarHBondContact OE1-OG 2.72Å; E153-W162 HydrophobicContact CB-CD2 4.01Å; E153-W162 HydrophobicContact CB-CE3 4.19Å; E153-W162 HydrophobicContact CB-CH2 3.91Å; E153-W162 HydrophobicContact CB-CZ2 3.75Å; E153-W162 HydrophobicContact CB-CZ3 4.13Å; E153-W162 HydrophobicContact CG-CD2 3.71Å; E153-W162 HydrophobicContact CG-CE3 4.38Å; E153-W162 HydrophobicContact CG-CG 3.96Å; E153-W162 HydrophobicContact CG-CH2 4.41Å; E153-W162 HydrophobicContact CG-CZ2 3.77Å
154E98.4Very high97.7Very high114 Ų11447.9 Ų47.953%0.53328%0.279SS..Hα-helixtrans-55.8-41.4179.4-68.6-175.6159.700111.9N150 A158N150-E154 PolarHBondContact O-N 3.22Å; E154-A158 WeakPolarHBondContact O-CB 3.03Å; E154-A158 PolarHBondContact O-N 2.68Å
155K98.2Very high97.7Very high117 Ų11748.8 Ų48.851%0.50928%0.283SS..Hα-helixtrans-61.2-51.7176.1-178.6-172.3172.7-167.10111.8P151 E153 A158 E159P151-K155 WeakPolarHBondContact O-CB 3.44Å; P151-K155 PolarHBondContact O-N 3.39Å; E153-K155 PolarHBondContact O-N 3.03Å; K155-A158 PolarHBondContact O-N 2.97Å; K155-E159 WeakPolarHBondContact CE-OE1 3.37Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 2.81Å; K155-E159 VanDerWaalsContact O-N 3.16Å
156H98.1Very high97.6Very high13 Ų1348.8 Ų48.86%0.0628%0.283CS..Hα-helixtrans-77.6-24.4-174.6-81-73.5000113.1W130 L152 E153 E159 G160 N161 W162W130-H156 AromaticContact CE2-CD2 3.76Å; W130-H156 AromaticContact CE2-NE2 3.48Å; W130-H156 AromaticContact CZ2-CD2 3.46Å; W130-H156 VanDerWaalsContact CZ2-CD2 3.46Å; W130-H156 WeakPolarHBondContact CZ2-CD2 3.47Å; W130-H156 AromaticContact CZ2-CE1 3.88Å; W130-H156 AromaticContact CZ2-CG 3.73Å; W130-H156 AromaticContact CZ2-ND1 3.96Å; W130-H156 AromaticContact CZ2-NE2 3.58Å; W130-H156 AromaticContact NE1-CD2 3.67Å; W130-H156 AromaticContact NE1-CE1 3.5Å; W130-H156 AromaticContact NE1-NE2 2.92Å; W130-H156 PolarHBondContact NE1-NE2 3.05Å; L152-H156 PolarHBondContact O-CD2 2.81Å; L152-H156 VanDerWaalsContact O-CD2 3.31Å; L152-H156 PolarHBondContact O-N 2.8Å; E153-H156 PolarHBondContact O-N 3.32Å; E153-H156 VanDerWaalsContact O-N 3.09Å; H156-E159 IonicContact CE1-OE2 3.57Å; H156-E159 IonicContact ND1-OE2 3.37Å; H156-E159 PolarHBondContact ND1-OE2 3.18Å; H156-E159 CarbonylContact O-C 3.57Å; H156-E159 PolarHBondContact O-N 2.98Å; H156-G160 PolarHBondContact O-N 3.3Å; H156-N161 WeakPolarHBondContact CA-OD1 3.43Å; H156-N161 VanDerWaalsContact CB-OD1 3.27Å; H156-N161 WeakPolarHBondContact CB-OD1 3.39Å; H156-N161 PolarHBondContact ND1-OD1 3.49Å; H156-N161 PolarHBondContact O-N 2.99Å; H156-N161 PolarHBondContact O-OD1 2.9Å; H156-W162 HydrophobicContact CB-CB 3.96Å; H156-W162 HydrophobicContact CB-CE3 3.86Å; H156-W162 PolarHBondContact O-N 2.83Å; H156-W162 VanDerWaalsContact O-N 3.17Å
157S97.6Very high97.5Very high53 Ų5348.7 Ų48.737%0.37128%0.282SS..Hα-helixtrans-69.7-39.3169.2-74.90000110.9E153 E159 G160 W162E153-S157 VanDerWaalsContact O-CB 3.28Å; E153-S157 WeakPolarHBondContact O-CB 3.43Å; E153-S157 PolarHBondContact O-N 3.46Å; E153-S157 PolarHBondContact O-OG 2.92Å; E153-S157 WeakPolarHBondContact OE1-CB 2.98Å; E153-S157 PolarHBondContact OE1-OG 2.72Å; S157-E159 VanDerWaalsContact C-N 3.26Å; S157-E159 PolarHBondContact O-N 2.66Å; S157-G160 PolarHBondContact O-N 3.09Å; S157-G160 VanDerWaalsContact O-N 3.09Å; S157-W162 WeakPolarHBondContact OG-CB 3.17Å
158A97.7Very high97.4Very high92 Ų9255.8 Ų55.876%0.7631%0.313SS*.Hα-helixtrans-64.9-29.2171.900000113E154 K155 G160E154-A158 WeakPolarHBondContact O-CB 3.03Å; E154-A158 PolarHBondContact O-N 2.68Å; K155-A158 PolarHBondContact O-N 2.97Å; A158-G160 VanDerWaalsContact C-N 3.35Å
159E97.2Very high97.3Very high102 Ų10255.9 Ų55.948%0.47731%0.307SS..THydrogen-bonded Turntrans-83.2-8.5173.1-67.2172.6-16800113.4K155 H156 S157 N161K155-E159 WeakPolarHBondContact CE-OE1 3.37Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 2.81Å; K155-E159 VanDerWaalsContact O-N 3.16Å; H156-E159 IonicContact CE1-OE2 3.57Å; H156-E159 IonicContact ND1-OE2 3.37Å; H156-E159 PolarHBondContact ND1-OE2 3.18Å; H156-E159 CarbonylContact O-C 3.57Å; H156-E159 PolarHBondContact O-N 2.98Å; S157-E159 VanDerWaalsContact C-N 3.26Å; S157-E159 PolarHBondContact O-N 2.66Å; E159-N161 VanDerWaalsContact C-N 3.3Å; E159-N161 PolarHBondContact O-N 3.49Å; E159-N161 PolarHBondContact OE2-ND2 3.42Å
160G96.6Very high97.2Very high71 Ų7155.3 Ų55.373%0.73230%0.301SS*.THydrogen-bonded Turntrans73.512.9-179.400000115.3H156 S157 A158H156-G160 PolarHBondContact O-N 3.3Å; S157-G160 PolarHBondContact O-N 3.09Å; S157-G160 VanDerWaalsContact O-N 3.09Å; A158-G160 VanDerWaalsContact C-N 3.35Å
161N96.9Very high97Very high40 Ų4059.3 Ų59.321%0.21433%0.327CS..  trans-118.16.2-173.463.418.3000114H156 E159 I163 E164 E165H156-N161 WeakPolarHBondContact CA-OD1 3.43Å; H156-N161 VanDerWaalsContact CB-OD1 3.27Å; H156-N161 WeakPolarHBondContact CB-OD1 3.39Å; H156-N161 PolarHBondContact ND1-OD1 3.49Å; H156-N161 PolarHBondContact O-N 2.99Å; H156-N161 PolarHBondContact O-OD1 2.9Å; E159-N161 VanDerWaalsContact C-N 3.3Å; E159-N161 PolarHBondContact O-N 3.49Å; E159-N161 PolarHBondContact OE2-ND2 3.42Å; N161-I163 PolarHBondContact O-N 2.98Å; N161-E164 PolarHBondContact O-N 3.42Å; N161-E165 HydrophobicContact CB-CG 4.3Å; N161-E165 WeakPolarHBondContact O-CB 3.35Å; N161-E165 WeakPolarHBondContact O-CG 3.44Å; N161-E165 PolarHBondContact O-N 2.81Å
162W97.3Very high96.7Very high7 Ų759.1 Ų59.13%0.02732%0.321CS..Hα-helixtrans-54.6-55.8-175.2170.9-121.6000114.2W130 F133 F147 L152 E153 H156 S157 E164 E165 A166 L176 D177W130-W162 AromaticContact CH2-CE3 3.75Å; W130-W162 HydrophobicContact CH2-CE3 3.75Å; W130-W162 HydrophobicContact CH2-CH2 4.49Å; W130-W162 AromaticContact CH2-CZ3 3.46Å; W130-W162 HydrophobicContact CH2-CZ3 3.46Å; W130-W162 VanDerWaalsContact CH2-CZ3 3.46Å; W130-W162 HydrophobicContact CZ2-CE3 4.39Å; W130-W162 HydrophobicContact CZ2-CZ3 4.27Å; W130-W162 AromaticContact CZ3-CZ3 3.82Å; W130-W162 HydrophobicContact CZ3-CZ3 3.82Å; F133-W162 AromaticContact CD2-CH2 3.9Å; F133-W162 HydrophobicContact CD2-CH2 3.9Å; F133-W162 AromaticContact CE2-CH2 3.45Å; F133-W162 HydrophobicContact CE2-CH2 3.45Å; F133-W162 VanDerWaalsContact CE2-CH2 3.45Å; F133-W162 HydrophobicContact CE2-CZ2 4.03Å; F133-W162 HydrophobicContact CE2-CZ3 4.37Å; F133-W162 HydrophobicContact CZ-CH2 4.06Å; F147-W162 HydrophobicContact CB-CZ2 3.92Å; F147-W162 AromaticContact CD1-CH2 3.58Å; F147-W162 HydrophobicContact CD1-CH2 3.58Å; F147-W162 AromaticContact CD1-CZ2 3.72Å; F147-W162 HydrophobicContact CD1-CZ2 3.72Å; F147-W162 AromaticContact CE1-CH2 3.97Å; F147-W162 HydrophobicContact CE1-CH2 3.97Å; F147-W162 HydrophobicContact CG-CH2 4.22Å; F147-W162 HydrophobicContact CG-CZ2 4.07Å; L152-W162 HydrophobicContact CD2-CH2 4.37Å; L152-W162 HydrophobicContact CD2-CZ3 4.05Å; L152-W162 HydrophobicContact CG-CZ3 3.96Å; E153-W162 HydrophobicContact CB-CD2 4.01Å; E153-W162 HydrophobicContact CB-CE3 4.19Å; E153-W162 HydrophobicContact CB-CH2 3.91Å; E153-W162 HydrophobicContact CB-CZ2 3.75Å; E153-W162 HydrophobicContact CB-CZ3 4.13Å; E153-W162 HydrophobicContact CG-CD2 3.71Å; E153-W162 HydrophobicContact CG-CE3 4.38Å; E153-W162 HydrophobicContact CG-CG 3.96Å; E153-W162 HydrophobicContact CG-CH2 4.41Å; E153-W162 HydrophobicContact CG-CZ2 3.77Å; H156-W162 HydrophobicContact CB-CB 3.96Å; H156-W162 HydrophobicContact CB-CE3 3.86Å; H156-W162 PolarHBondContact O-N 2.83Å; H156-W162 VanDerWaalsContact O-N 3.17Å; S157-W162 WeakPolarHBondContact OG-CB 3.17Å; W162-E164 VanDerWaalsContact C-N 3.34Å; W162-E164 PolarHBondContact O-N 2.8Å; W162-E165 PolarHBondContact O-N 3.03Å; W162-A166 HydrophobicContact CD2-CB 4.23Å; W162-A166 HydrophobicContact CE3-CB 4.21Å; W162-A166 HydrophobicContact CH2-CB 4.15Å; W162-A166 HydrophobicContact CZ2-CB 4.12Å; W162-A166 HydrophobicContact CZ3-CB 4.18Å; W162-A166 WeakPolarHBondContact O-CB 3.42Å; W162-A166 PolarHBondContact O-N 3.08Å; W162-L176 HydrophobicContact CZ2-CD1 4.37Å; W162-D177 PolarHBondContact NE1-OD2 2.86Å
163I95.4Very high96.6Very high69 Ų6959 Ų5935%0.35432%0.321SS..Hα-helixtrans-61.7-44.4-175.4-59.6-62.2000110.7N161 T167 L176N161-I163 PolarHBondContact O-N 2.98Å; I163-T167 HydrophobicContact CG2-CG2 4.24Å; I163-T167 WeakPolarHBondContact O-CB 3.26Å; I163-T167 WeakPolarHBondContact O-CG2 3.39Å; I163-T167 PolarHBondContact O-N 2.76Å; I163-T167 PolarHBondContact O-OG1 3.23Å; I163-L176 HydrophobicContact CD1-CB 4.35Å; I163-L176 HydrophobicContact CD1-CD2 3.64Å; I163-L176 HydrophobicContact CD1-CG 3.83Å
164E94.8Very high96.5Very high131 Ų13163.6 Ų63.661%0.61234%0.34SS*.Hα-helixtrans-60.8-53.6178.3-175.9-174.3166.900111.3N161 W162 A166 T167 K168N161-E164 PolarHBondContact O-N 3.42Å; W162-E164 VanDerWaalsContact C-N 3.34Å; W162-E164 PolarHBondContact O-N 2.8Å; E164-A166 PolarHBondContact O-N 3.37Å; E164-T167 PolarHBondContact O-N 3.31Å; E164-T167 PolarHBondContact O-OG1 3.04Å; E164-K168 VanDerWaalsContact O-CB 3.26Å; E164-K168 WeakPolarHBondContact O-CB 3.19Å; E164-K168 PolarHBondContact O-N 3.09Å
165E97.1Very high96.5Very high39 Ų3961.4 Ų61.418%0.18233%0.329CS..Hα-helixtrans-67.7-36-175.9-74.1-70.5109.400112.4W130 N161 W162 R169W130-E165 HydrophobicContact CH2-CB 3.62Å; W130-E165 HydrophobicContact CZ2-CB 3.52Å; W130-E165 HydrophobicContact CZ2-CG 4.42Å; N161-E165 HydrophobicContact CB-CG 4.3Å; N161-E165 WeakPolarHBondContact O-CB 3.35Å; N161-E165 WeakPolarHBondContact O-CG 3.44Å; N161-E165 PolarHBondContact O-N 2.81Å; W162-E165 PolarHBondContact O-N 3.03Å; E165-R169 VanDerWaalsContact CD-NH1 3.33Å; E165-R169 WeakPolarHBondContact O-CD 3.46Å; E165-R169 WeakPolarHBondContact O-CG 3.35Å; E165-R169 PolarHBondContact O-N 3.21Å; E165-R169 PolarHBondContact O-NH1 3.26Å; E165-R169 IonicContact OE1-NH1 2.69Å; E165-R169 IonicContact OE2-CZ 3.82Å; E165-R169 IonicContact OE2-NH1 2.74Å; E165-R169 PolarHBondContact OE2-NH1 2.78Å; E165-R169 IonicContact OE2-NH2 2.78Å; E165-R169 PolarHBondContact OE2-NH2 3.41Å
166A97.5Very high96.5Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-69.6-47.6177.700000112.1W130 F133 W162 E164 R169 V170 L176W130-A166 HydrophobicContact CH2-CB 4.29Å; W130-A166 HydrophobicContact CZ3-CB 4.37Å; F133-A166 HydrophobicContact CE1-CB 3.99Å; F133-A166 HydrophobicContact CZ-CB 3.66Å; W162-A166 HydrophobicContact CD2-CB 4.23Å; W162-A166 HydrophobicContact CE3-CB 4.21Å; W162-A166 HydrophobicContact CH2-CB 4.15Å; W162-A166 HydrophobicContact CZ2-CB 4.12Å; W162-A166 HydrophobicContact CZ3-CB 4.18Å; W162-A166 WeakPolarHBondContact O-CB 3.42Å; W162-A166 PolarHBondContact O-N 3.08Å; E164-A166 PolarHBondContact O-N 3.37Å; A166-R169 PolarHBondContact O-N 2.76Å; A166-V170 PolarHBondContact O-N 3.41Å; A166-L176 HydrophobicContact CB-CD2 3.55Å
167T95.7Very high96.4Very high28 Ų2856.7 Ų56.717%0.17231%0.31CS..Hα-helixtrans-69.1-34.7-179.355.70000111.9I163 E164 R169 V170 P171 L176 V181I163-T167 HydrophobicContact CG2-CG2 4.24Å; I163-T167 WeakPolarHBondContact O-CB 3.26Å; I163-T167 WeakPolarHBondContact O-CG2 3.39Å; I163-T167 PolarHBondContact O-N 2.76Å; I163-T167 PolarHBondContact O-OG1 3.23Å; E164-T167 PolarHBondContact O-N 3.31Å; E164-T167 PolarHBondContact O-OG1 3.04Å; T167-R169 VanDerWaalsContact C-N 3.25Å; T167-R169 PolarHBondContact O-N 3.2Å; T167-V170 CarbonylContact O-C 3.56Å; T167-V170 PolarHBondContact O-N 2.91Å; T167-P171 WeakPolarHBondContact O-CA 3.27Å; T167-P171 VanDerWaalsContact O-N 3.14Å; T167-L176 HydrophobicContact CG2-CD2 4.14Å; T167-V181 HydrophobicContact CG2-CB 4.29Å; T167-V181 HydrophobicContact CG2-CG1 3.6Å; T167-V181 HydrophobicContact CG2-CG2 3.63Å
168K95.9Very high96.2Very high149 Ų14956.3 Ų56.365%0.64831%0.314SS*.Hα-helixtrans-58-35.2170.5-178.9176.4178.5177.30113.4E164E164-K168 VanDerWaalsContact O-CB 3.26Å; E164-K168 WeakPolarHBondContact O-CB 3.19Å; E164-K168 PolarHBondContact O-N 3.09Å
169R97Very high96Very high66 Ų6655.6 Ų55.625%0.24930%0.3CS..Hα-helixtrans-87.2-27.5-178.9-74.5167.7-179.472.8-8.2113.4W130 F133 V134 A137 E165 A166 T167 P171W130-R169 VanDerWaalsContact CD2-NE 3.35Å; F133-R169 HydrophobicContact CD1-CB 4.31Å; F133-R169 HydrophobicContact CE1-CB 4.3Å; V134-R169 HydrophobicContact CG1-CB 4.2Å; V134-R169 HydrophobicContact CG1-CG 4.09Å; A137-R169 WeakPolarHBondContact CB-O 3.47Å; E165-R169 VanDerWaalsContact CD-NH1 3.33Å; E165-R169 WeakPolarHBondContact O-CD 3.46Å; E165-R169 WeakPolarHBondContact O-CG 3.35Å; E165-R169 PolarHBondContact O-N 3.21Å; E165-R169 PolarHBondContact O-NH1 3.26Å; E165-R169 IonicContact OE1-NH1 2.69Å; E165-R169 IonicContact OE2-CZ 3.82Å; E165-R169 IonicContact OE2-NH1 2.74Å; E165-R169 PolarHBondContact OE2-NH1 2.78Å; E165-R169 IonicContact OE2-NH2 2.78Å; E165-R169 PolarHBondContact OE2-NH2 3.41Å; A166-R169 PolarHBondContact O-N 2.76Å; T167-R169 VanDerWaalsContact C-N 3.25Å; T167-R169 PolarHBondContact O-N 3.2Å; R169-P171 VanDerWaalsContact C-CD 3.48Å
170V96.1Very high95.9Very high0 Ų055.2 Ų55.20%031%0.307CS..SBendtrans-128.570.4178.5-167.90000108.4F133 L136 A137 L142 A166 T167 K172 L173F133-V170 HydrophobicContact CD1-CG2 4.06Å; F133-V170 HydrophobicContact CE1-CB 4.45Å; F133-V170 HydrophobicContact CE1-CG2 3.49Å; F133-V170 VanDerWaalsContact CE1-CG2 3.49Å; F133-V170 HydrophobicContact CZ-CG2 4.18Å; L136-V170 HydrophobicContact CB-CG1 4.43Å; L136-V170 HydrophobicContact CB-CG2 3.95Å; A137-V170 HydrophobicContact CB-CG2 4.48Å; L142-V170 HydrophobicContact CD2-CG1 4.48Å; A166-V170 PolarHBondContact O-N 3.41Å; T167-V170 CarbonylContact O-C 3.56Å; T167-V170 PolarHBondContact O-N 2.91Å; V170-K172 HydrophobicContact CG1-CG 4.02Å; V170-K172 PolarHBondContact O-N 3.03Å; V170-L173 HydrophobicContact CB-CD1 3.95Å; V170-L173 HydrophobicContact CB-CG 4.1Å; V170-L173 HydrophobicContact CG1-CD1 4.08Å; V170-L173 HydrophobicContact CG1-CD2 4.32Å; V170-L173 HydrophobicContact CG1-CG 3.76Å; V170-L173 WeakPolarHBondContact O-CG 3.49Å; V170-L173 PolarHBondContact O-N 3.47Å; V170-L173 VanDerWaalsContact O-N 3.16Å
171P94Very high95.7Very high84 Ų8453.1 Ų53.155%0.54528%0.279SS..THydrogen-bonded Turntrans-67-11.2-167.726.2-36.6000114.4T167 R169 K183T167-P171 WeakPolarHBondContact O-CA 3.27Å; T167-P171 VanDerWaalsContact O-N 3.14Å; R169-P171 VanDerWaalsContact C-CD 3.48Å; P171-K183 WeakPolarHBondContact O-CE 3.4Å; P171-K183 PolarHBondContact O-NZ 3.17Å
172K93.5Very high95Very high46 Ų4658.7 Ų58.720%0.231%0.308CS..THydrogen-bonded Turntrans-81.3-13.5177.661-171.3167.3-162.60114.5L136 A137 L139 V170 K174L136-K172 WeakPolarHBondContact O-CE 3.23Å; L136-K172 PolarHBondContact O-NZ 2.97Å; A137-K172 PolarHBondContact O-NZ 3.35Å; L139-K172 WeakPolarHBondContact O-CD 3.28Å; L139-K172 WeakPolarHBondContact O-CE 3.38Å; L139-K172 PolarHBondContact O-NZ 3.44Å; V170-K172 HydrophobicContact CG1-CG 4.02Å; V170-K172 PolarHBondContact O-N 3.03Å; K172-K174 PolarHBondContact O-N 2.98Å
173L96.2Very high93.8Very high0 Ų063.1 Ų63.10%033%0.327CS..  trans-58.6134.3179.1-70.8174.5000110.5L142 L145 V170 L176 V181L142-L173 HydrophobicContact CD2-CD2 4Å; L142-L173 HydrophobicContact CG-CD2 3.94Å; L145-L173 HydrophobicContact CB-CD1 4.27Å; L145-L173 HydrophobicContact CB-CD2 3.7Å; L145-L173 HydrophobicContact CD2-CD1 3.98Å; V170-L173 HydrophobicContact CB-CD1 3.95Å; V170-L173 HydrophobicContact CB-CG 4.1Å; V170-L173 HydrophobicContact CG1-CD1 4.08Å; V170-L173 HydrophobicContact CG1-CD2 4.32Å; V170-L173 HydrophobicContact CG1-CG 3.76Å; V170-L173 WeakPolarHBondContact O-CG 3.49Å; V170-L173 PolarHBondContact O-N 3.47Å; V170-L173 VanDerWaalsContact O-N 3.16Å; L173-L176 HydrophobicContact CD1-CD1 4.36Å; L173-V181 HydrophobicContact CB-CG2 4.45Å
174K96.3Very high92.1Very high114 Ų11469 Ų6950%0.49635%0.353SS..SBendtrans-100.4-23171.8-62.7-177.5-173.9163.60111.4E143 K172 V181E143-K174 HydrophobicContact CB-CB 4.43Å; E143-K174 HydrophobicContact CB-CD 4.23Å; E143-K174 HydrophobicContact CB-CG 4.28Å; E143-K174 VanDerWaalsContact CD-CE 3.42Å; E143-K174 HydrophobicContact CG-CD 4.01Å; E143-K174 HydrophobicContact CG-CG 4.25Å; E143-K174 PolarHBondContact O-N 3.01Å; E143-K174 WeakPolarHBondContact OE1-CE 3.12Å; E143-K174 IonicContact OE1-NZ 2.87Å; E143-K174 PolarHBondContact OE1-NZ 2.56Å; E143-K174 WeakPolarHBondContact OE2-CD 3.41Å; E143-K174 WeakPolarHBondContact OE2-CE 3.45Å; E143-K174 IonicContact OE2-NZ 3.88Å; E143-K174 PolarHBondContact OE2-NZ 3.21Å; K172-K174 PolarHBondContact O-N 2.98Å; K174-V181 PolarHBondContact O-N 2.72Å
175K97.4Very high90.2Very high68 Ų6869.9 Ų69.930%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-147131.9179-175.5169.7155.4-137.50110.4E143 D144 L145 T179E143-K175 PolarHBondContact O-N 3.05Å; D144-K175 HydrophobicContact CB-CB 4.44Å; D144-K175 IonicContact OD1-NZ 2.8Å; D144-K175 WeakPolarHBondContact OD2-CD 3.2Å; D144-K175 IonicContact OD2-NZ 2.76Å; D144-K175 PolarHBondContact OD2-NZ 2.69Å; L145-K175 PolarHBondContact N-O 2.87Å; K175-T179 WeakPolarHBondContact CA-O 3.32Å
176L97.8Very high87.9Confident0 Ų076.9 Ų76.90%040%0.395CS..EExtended strand (participates in β ladder)trans-130.3120.8178.5177.959.4000108.8L145 W162 I163 A166 T167 L173 G178 T179 V181L145-L176 HydrophobicContact CB-CD1 4.15Å; L145-L176 HydrophobicContact CD2-CD1 3.89Å; L145-L176 HydrophobicContact CG-CD1 4.07Å; L145-L176 CarbonylContact O-C 3.54Å; L145-L176 WeakPolarHBondContact O-CA 3.39Å; W162-L176 HydrophobicContact CZ2-CD1 4.37Å; I163-L176 HydrophobicContact CD1-CB 4.35Å; I163-L176 HydrophobicContact CD1-CD2 3.64Å; I163-L176 HydrophobicContact CD1-CG 3.83Å; A166-L176 HydrophobicContact CB-CD2 3.55Å; T167-L176 HydrophobicContact CG2-CD2 4.14Å; L173-L176 HydrophobicContact CD1-CD1 4.36Å; L176-G178 PolarHBondContact O-N 3.47Å; L176-T179 PolarHBondContact N-O 2.91Å; L176-T179 WeakPolarHBondContact O-CB 3.44Å; L176-T179 PolarHBondContact O-N 3.47Å; L176-V181 HydrophobicContact CB-CG2 3.97Å
177D97Very high85.2Confident32 Ų3285.9 Ų85.917%0.17144%0.437CS..THydrogen-bonded Turntrans55.136.9176.3-61.9-47.5000114.1L145 V146 F147 V148 W162 T179L145-D177 PolarHBondContact O-N 3.19Å; V146-D177 WeakPolarHBondContact CA-OD1 3.38Å; F147-D177 PolarHBondContact N-OD1 3.43Å; V148-D177 HydrophobicContact CG2-CB 3.61Å; V148-D177 VanDerWaalsContact CG2-CG 3.45Å; V148-D177 WeakPolarHBondContact CG2-OD1 3.33Å; V148-D177 PolarHBondContact N-OD1 3.47Å; W162-D177 PolarHBondContact NE1-OD2 2.86Å; D177-T179 VanDerWaalsContact C-N 3.27Å; D177-T179 PolarHBondContact O-N 3.02Å
178G93.6Very high82.7Confident45 Ų4593.6 Ų93.646%0.46447%0.471SS..THydrogen-bonded Turntrans89.4-15.9-177.800000114.3L176L176-G178 PolarHBondContact O-N 3.47Å
179T93.9Very high79.9Confident76 Ų7695.8 Ų95.847%0.46648%0.484SS..EExtended strand (participates in β ladder)trans-92.8126-177-53.90000110.8K175 L176 D177 V181K175-T179 WeakPolarHBondContact CA-O 3.32Å; L176-T179 PolarHBondContact N-O 2.91Å; L176-T179 WeakPolarHBondContact O-CB 3.44Å; L176-T179 PolarHBondContact O-N 3.47Å; D177-T179 VanDerWaalsContact C-N 3.27Å; D177-T179 PolarHBondContact O-N 3.02Å; T179-V181 PolarHBondContact O-N 3.38Å
180P94.4Very high77.2Confident94 Ų94101.8 Ų101.861%0.6154%0.535SS*.EExtended strand (participates in β ladder)trans-58.7133170.2-22.934.1000111.1I182P180-I182 PolarHBondContact O-N 3.16Å
181V91.6Very high76.3Confident27 Ų27106.9 Ų106.916%0.16456%0.562CS.*  trans-88.7104.5173.21790000107.1T167 L173 K174 L176 T179 K183T167-V181 HydrophobicContact CG2-CB 4.29Å; T167-V181 HydrophobicContact CG2-CG1 3.6Å; T167-V181 HydrophobicContact CG2-CG2 3.63Å; L173-V181 HydrophobicContact CB-CG2 4.45Å; K174-V181 PolarHBondContact O-N 2.72Å; L176-V181 HydrophobicContact CB-CG2 3.97Å; T179-V181 PolarHBondContact O-N 3.38Å; V181-K183 PolarHBondContact O-N 3.4Å
182I82.1Confident75.3Confident157 Ų157108.1 Ų108.181%0.80556%0.563SS**  trans-79.6117.9173.7-57.6170.5000106.6P180P180-I182 PolarHBondContact O-N 3.16Å
183K72.4Confident74.3Confident101 Ų101111.5 Ų111.544%0.43958%0.583SS.*  trans-89.9138.6165.7-57.5-175.1-160.8177.70106.7P171 V181 D185P171-K183 WeakPolarHBondContact O-CE 3.4Å; P171-K183 PolarHBondContact O-NZ 3.17Å; V181-K183 PolarHBondContact O-N 3.4Å; K183-D185 VanDerWaalsContact C-N 3.31Å; K183-D185 PolarHBondContact O-N 3.35Å
184E61Low73Confident192 Ų192118.1 Ų118.190%0.89762%0.617SS**  trans-64.3105.6158-66.1178.9175.200104.2E186E184-E186 PolarHBondContact O-N 3.09Å
185D53.3Low71.6Confident150 Ų150118.3 Ų118.380%0.80263%0.625SS**  trans-50.8118.6-176.7-71-41.5000108.1K183 E187K183-D185 VanDerWaalsContact C-N 3.31Å; K183-D185 PolarHBondContact O-N 3.35Å; D185-E187 PolarHBondContact O-N 3.05Å; D185-E187 VanDerWaalsContact O-N 3.08Å
186E50.4Low69.9Low185 Ų185121.7 Ų121.786%0.86465%0.647SS**  trans-53.1116.6156.5-71.5177.6163.300105E184 E188E184-E186 PolarHBondContact O-N 3.09Å; E186-E188 PolarHBondContact O-N 2.98Å
187E39.2Very low67.9Low189 Ų189130.4 Ų130.488%0.88369%0.693SS**  trans-37.2106.1172.2-65.1174.5157.100108.4D185 E189D185-E187 PolarHBondContact O-N 3.05Å; D185-E187 VanDerWaalsContact O-N 3.08Å; E187-E189 PolarHBondContact O-N 3.43Å
188E43.1Very low65.6Low190 Ų190137.9 Ų137.989%0.88873%0.733SS**  trans-57.6111.2167.7-80.8-171.4158.300105.8E186 S190E186-E188 PolarHBondContact O-N 2.98Å; E188-S190 PolarHBondContact O-N 3.04Å
189E38.5Very low63.3Low196 Ų196145.7 Ų145.792%0.91676%0.756SS**  trans-39.9122.9171.3-70.2178.2146.500109.5E187E187-E189 PolarHBondContact O-N 3.43Å
190S40.1Very low60.5Low191 Ų191152 Ų152100%1.33678%0.782SS**  trans-86.50159.930.50000110.2E188E188-S190 PolarHBondContact O-N 3.04Å

Retrieved 190 of 190 residues in 179 ms (Link to these results)

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