A0A087XEH9_POEFO Loading...

Gamma-aminobutyric acid type A receptor alpha2 subunit a

AlphaFold DB , UniProt , Accession A0A087XEH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1D61.3Low81.8Confident160 Ų16092.9 Ų92.986%0.85651%0.512SS*.  0130.20-139.3-18.4000109.2A3 T4 F5D1-A3 VanDerWaalsContact C-N 3.25Å; D1-A3 PolarHBondContact O-N 2.97Å; D1-T4 WeakPolarHBondContact O-CB 3.41Å; D1-T4 PolarHBondContact O-N 3.47Å; D1-T4 PolarHBondContact O-OG1 3.25Å; D1-F5 WeakPolarHBondContact O-CD2 3.47Å
2I71.1Confident82.5Confident140 Ų14086.3 Ų86.372%0.71848%0.475SS*.Hα-helixtrans-63.8-34.9-174.1-68.1169.4000110.9T4 F5 T6I2-T4 PolarHBondContact O-N 3.21Å; I2-F5 PolarHBondContact O-N 3.37Å; I2-F5 VanDerWaalsContact O-N 3.11Å; I2-T6 PolarHBondContact O-N 2.91Å; I2-T6 PolarHBondContact O-OG1 3.12Å
3A76.1Confident83.1Confident67 Ų6783.1 Ų83.155%0.55446%0.457SS*.Hα-helixtrans-59.7-31.8177.400000113.3D1 K7D1-A3 VanDerWaalsContact C-N 3.25Å; D1-A3 PolarHBondContact O-N 2.97Å; A3-K7 WeakPolarHBondContact O-CB 3.34Å; A3-K7 PolarHBondContact O-N 3.06Å; A3-K7 VanDerWaalsContact O-N 3.09Å
4T81.5Confident83.8Confident69 Ų6987.1 Ų87.142%0.42348%0.477SS..Hα-helixtrans-66.8-37.8177-44.50000111.5D1 I2 I8D1-T4 WeakPolarHBondContact O-CB 3.41Å; D1-T4 PolarHBondContact O-N 3.47Å; D1-T4 PolarHBondContact O-OG1 3.25Å; I2-T4 PolarHBondContact O-N 3.21Å; T4-I8 HydrophobicContact CG2-CD1 4.27Å; T4-I8 WeakPolarHBondContact O-CD1 3.26Å; T4-I8 VanDerWaalsContact O-CG1 3.26Å; T4-I8 WeakPolarHBondContact O-CG1 3.5Å; T4-I8 PolarHBondContact O-N 3.07Å; T4-I8 VanDerWaalsContact O-N 3.07Å
5F82.9Confident84.3Confident80 Ų8086.6 Ų86.635%0.35150%0.5SS..Hα-helixtrans-69.5-43.9179.1-70.4-77.9000112.1D1 I2 K7 I8 L9 P70 M71 L74D1-F5 WeakPolarHBondContact O-CD2 3.47Å; I2-F5 PolarHBondContact O-N 3.37Å; I2-F5 VanDerWaalsContact O-N 3.11Å; F5-K7 VanDerWaalsContact C-N 3.32Å; F5-K7 PolarHBondContact O-N 3.23Å; F5-I8 PolarHBondContact O-N 3.41Å; F5-L9 WeakPolarHBondContact O-CB 3.08Å; F5-L9 PolarHBondContact O-N 3.11Å; F5-P70 HydrophobicContact CZ-CG 4.44Å; F5-M71 HydrophobicContact CE1-CG 3.81Å; F5-M71 HydrophobicContact CZ-CG 4.02Å; F5-L74 HydrophobicContact CD1-CD2 4.14Å; F5-L74 HydrophobicContact CE1-CD2 4.37Å
6T85.8Confident85Confident72 Ų7283.2 Ų83.244%0.44248%0.476SS..Hα-helixtrans-61.8-43.3176.6-47.50000110.8I2 I8 L9 D10I2-T6 PolarHBondContact O-N 2.91Å; I2-T6 PolarHBondContact O-OG1 3.12Å; T6-I8 PolarHBondContact O-N 3.29Å; T6-L9 WeakPolarHBondContact O-CB 3.23Å; T6-L9 PolarHBondContact O-N 3.11Å; T6-L9 VanDerWaalsContact O-N 3.11Å; T6-D10 PolarHBondContact O-N 3.42Å
7K88.3Confident85.5Confident160 Ų16080.8 Ų80.870%0.69646%0.462SS*.Hα-helixtrans-62.3-39.8177.3-169.4177-179-179.60112.9A3 F5 L9 S11A3-K7 WeakPolarHBondContact O-CB 3.34Å; A3-K7 PolarHBondContact O-N 3.06Å; A3-K7 VanDerWaalsContact O-N 3.09Å; F5-K7 VanDerWaalsContact C-N 3.32Å; F5-K7 PolarHBondContact O-N 3.23Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-S11 VanDerWaalsContact O-CB 3.23Å; K7-S11 WeakPolarHBondContact O-CB 3.34Å; K7-S11 PolarHBondContact O-N 3.31Å
8I89Confident85.9Confident30 Ų3080.1 Ų80.115%0.15446%0.456CS..Hα-helixtrans-62.6-44.5173.5-69.8164.8000110T4 F5 T6 S11 L12 F67 L74T4-I8 HydrophobicContact CG2-CD1 4.27Å; T4-I8 WeakPolarHBondContact O-CD1 3.26Å; T4-I8 VanDerWaalsContact O-CG1 3.26Å; T4-I8 WeakPolarHBondContact O-CG1 3.5Å; T4-I8 PolarHBondContact O-N 3.07Å; T4-I8 VanDerWaalsContact O-N 3.07Å; F5-I8 PolarHBondContact O-N 3.41Å; T6-I8 PolarHBondContact O-N 3.29Å; I8-S11 PolarHBondContact O-N 2.97Å; I8-L12 VanDerWaalsContact O-CB 3.26Å; I8-L12 WeakPolarHBondContact O-CB 3.47Å; I8-L12 PolarHBondContact O-N 3.47Å; I8-F67 HydrophobicContact CG2-CB 3.91Å; I8-F67 HydrophobicContact CG2-CD2 4.14Å; I8-F67 HydrophobicContact CG2-CG 4.2Å; I8-L74 HydrophobicContact CG2-CD1 4.3Å
9L86.5Confident86.3Confident51 Ų5186 Ų8627%0.26747%0.471SS..Hα-helixtrans-66.3-42.9-176.7-160.670.1000112.8F5 T6 K7 L12 L76 M80F5-L9 WeakPolarHBondContact O-CB 3.08Å; F5-L9 PolarHBondContact O-N 3.11Å; T6-L9 WeakPolarHBondContact O-CB 3.23Å; T6-L9 PolarHBondContact O-N 3.11Å; T6-L9 VanDerWaalsContact O-N 3.11Å; K7-L9 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-L76 HydrophobicContact CD1-CD1 4.47Å; L9-L76 HydrophobicContact CD1-CD2 3.57Å; L9-M80 HydrophobicContact CD1-CE 3.27Å; L9-M80 HydrophobicContact CD1-SD 3.44Å; L9-M80 WeakPolarHBondContact CD1-SD 3.45Å; L9-M80 HydrophobicContact CD2-SD 3.75Å; L9-M80 HydrophobicContact CG-CE 3.64Å; L9-M80 HydrophobicContact CG-SD 3.53Å; L9-M80 VanDerWaalsContact CG-SD 3.53Å
10D87.3Confident86.7Confident108 Ų10885.6 Ų85.658%0.57847%0.467SS*.Hα-helixtrans-67.1-41.9177.5-67.6-26.2000110.8T6 L12 L13 D14T6-D10 PolarHBondContact O-N 3.42Å; D10-L12 VanDerWaalsContact C-N 3.26Å; D10-L12 PolarHBondContact O-N 2.74Å; D10-L13 PolarHBondContact O-N 3.49Å; D10-D14 PolarHBondContact O-N 2.72Å
11S89.7Confident87.1Confident85 Ų8582.3 Ų82.359%0.59445%0.448SS*.Hα-helixtrans-65.2-28176.3-176.40000113.3K7 I8 L13K7-S11 VanDerWaalsContact O-CB 3.23Å; K7-S11 WeakPolarHBondContact O-CB 3.34Å; K7-S11 PolarHBondContact O-N 3.31Å; I8-S11 PolarHBondContact O-N 2.97Å; S11-L13 VanDerWaalsContact C-N 3.32Å
12L90.4Very high88.8Confident14 Ų1474.9 Ų74.97%0.07341%0.409CS..Hα-helixtrans-76.5-21.5-177.4-174.4136.9000112.6I8 L9 D10 L65 F67 M80 I111I8-L12 VanDerWaalsContact O-CB 3.26Å; I8-L12 WeakPolarHBondContact O-CB 3.47Å; I8-L12 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.09Å; D10-L12 VanDerWaalsContact C-N 3.26Å; D10-L12 PolarHBondContact O-N 2.74Å; L12-L65 HydrophobicContact CD1-CB 4.44Å; L12-L65 WeakPolarHBondContact CD1-O 3.08Å; L12-L65 HydrophobicContact CD2-CB 4.33Å; L12-L65 HydrophobicContact CD2-CD2 3.38Å; L12-L65 HydrophobicContact CD2-CG 4.38Å; L12-L65 HydrophobicContact CG-CB 4.43Å; L12-L65 HydrophobicContact CG-CD2 3.89Å; L12-F67 HydrophobicContact CD1-CB 4.04Å; L12-F67 HydrophobicContact CD1-CD1 4.13Å; L12-F67 HydrophobicContact CD1-CG 4.44Å; L12-M80 HydrophobicContact CD2-CE 3.78Å; L12-I111 HydrophobicContact CD2-CD1 4.05Å
13L90.3Very high89.7Confident44 Ų4469.4 Ų69.423%0.2339%0.387CS..Hα-helixtrans-97.7-6.6175.2-68.2179.3000113.4D10 S11 G15 Y16 M80 K83 I84D10-L13 PolarHBondContact O-N 3.49Å; S11-L13 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 2.8Å; L13-Y16 PolarHBondContact O-N 2.87Å; L13-M80 HydrophobicContact CD1-CE 3.56Å; L13-M80 HydrophobicContact CD1-SD 3.89Å; L13-M80 HydrophobicContact CD2-CE 3.83Å; L13-M80 HydrophobicContact CG-CE 3.51Å; L13-M80 HydrophobicContact CG-SD 4.49Å; L13-K83 HydrophobicContact CD1-CB 4.49Å; L13-K83 HydrophobicContact CD1-CD 3.9Å; L13-K83 HydrophobicContact CD2-CB 4.45Å; L13-I84 HydrophobicContact CD2-CG1 4.33Å
14D92.7Very high90.5Very high140 Ų14071.2 Ų71.275%0.74939%0.386SS*.THydrogen-bonded Turntrans-67.4124.6177.5-165.411.8000110.4D10 Y16D10-D14 PolarHBondContact O-N 2.72Å; D14-Y16 PolarHBondContact O-N 2.94Å
15G91.3Very high90.8Very high79 Ų7971.8 Ų71.881%0.81441%0.406SS*.THydrogen-bonded Turntrans67.98.4-174.300000116L13L13-G15 PolarHBondContact O-N 2.8Å
16Y95.1Very high91.2Very high32 Ų3274.4 Ų74.413%0.12542%0.424CS..  trans-81.5120178.6-171.4-91.3000112.2L13 D14 N18 D62 R64 L65 I84 W85L13-Y16 PolarHBondContact O-N 2.87Å; D14-Y16 PolarHBondContact O-N 2.94Å; Y16-N18 HydrophobicContact CD1-CB 4.32Å; Y16-N18 HydrophobicContact CE1-CB 3.88Å; Y16-D62 WeakPolarHBondContact CE2-OD2 3.37Å; Y16-D62 PolarHBondContact OH-OD2 2.8Å; Y16-R64 HydrophobicContact CD2-CB 4.01Å; Y16-R64 HydrophobicContact CE2-CB 4.08Å; Y16-R64 PolarHBondContact OH-NH2 3.21Å; Y16-L65 HydrophobicContact CD2-CD2 3.66Å; Y16-L65 HydrophobicContact CD2-CG 4.3Å; Y16-L65 HydrophobicContact CE2-CD1 4.07Å; Y16-L65 HydrophobicContact CE2-CD2 3.62Å; Y16-L65 HydrophobicContact CE2-CG 3.82Å; Y16-L65 HydrophobicContact CG-CD2 4.36Å; Y16-I84 HydrophobicContact CE1-CB 4.49Å; Y16-W85 WeakPolarHBondContact OH-CB 3.34Å; Y16-W85 PolarHBondContact OH-N 2.97Å
17D94.1Very high91.6Very high42 Ų4275.5 Ų75.523%0.22542%0.42CS..  trans-102113.3170.9-165-20.9000110.9R19 L20 R64D17-R19 VanDerWaalsContact C-N 3.29Å; D17-R19 PolarHBondContact O-N 3.17Å; D17-R19 VanDerWaalsContact OD1-CB 3.27Å; D17-R19 WeakPolarHBondContact OD1-CB 3.39Å; D17-R19 WeakPolarHBondContact OD1-CG 3.16Å; D17-R19 IonicContact OD1-CZ 2.97Å; D17-R19 PolarHBondContact OD1-N 3.21Å; D17-R19 IonicContact OD1-NE 2.72Å; D17-R19 PolarHBondContact OD1-NE 3.31Å; D17-R19 IonicContact OD1-NH2 3.49Å; D17-R19 IonicContact OD2-CZ 3.52Å; D17-R19 IonicContact OD2-NE 3.12Å; D17-R19 PolarHBondContact OD2-NE 2.9Å; D17-R19 IonicContact OD2-NH2 3.55Å; D17-R19 PolarHBondContact OD2-NH2 3.27Å; D17-L20 HydrophobicContact CB-CD1 4.23Å; D17-L20 HydrophobicContact CB-CG 4.34Å; D17-R64 PolarHBondContact O-NH1 2.8Å
18N93.6Very high91.9Very high68 Ų6870.5 Ų70.536%0.36440%0.403SS..THydrogen-bonded Turntrans-78.2-10-179.469.3-10.5000114.1Y16 L20 K83Y16-N18 HydrophobicContact CD1-CB 4.32Å; Y16-N18 HydrophobicContact CE1-CB 3.88Å; N18-L20 VanDerWaalsContact C-N 3.29Å; N18-K83 WeakPolarHBondContact CB-O 3.4Å
19R93.4Very high92.3Very high193 Ų19369.4 Ų69.473%0.72840%0.398SS*.THydrogen-bonded Turntrans-78.3-20.1176-57.7171.9-66.2178.33.1111.7D17D17-R19 VanDerWaalsContact C-N 3.29Å; D17-R19 PolarHBondContact O-N 3.17Å; D17-R19 VanDerWaalsContact OD1-CB 3.27Å; D17-R19 WeakPolarHBondContact OD1-CB 3.39Å; D17-R19 WeakPolarHBondContact OD1-CG 3.16Å; D17-R19 IonicContact OD1-CZ 2.97Å; D17-R19 PolarHBondContact OD1-N 3.21Å; D17-R19 IonicContact OD1-NE 2.72Å; D17-R19 PolarHBondContact OD1-NE 3.31Å; D17-R19 IonicContact OD1-NH2 3.49Å; D17-R19 IonicContact OD2-CZ 3.52Å; D17-R19 IonicContact OD2-NE 3.12Å; D17-R19 PolarHBondContact OD2-NE 2.9Å; D17-R19 IonicContact OD2-NH2 3.55Å; D17-R19 PolarHBondContact OD2-NH2 3.27Å
20L94.6Very high92.8Very high77 Ų7772.4 Ų72.440%0.40341%0.41SS..SBendtrans-103.1129.4-176.2-54.6179.1000110.7D17 N18 L24 R64D17-L20 HydrophobicContact CB-CD1 4.23Å; D17-L20 HydrophobicContact CB-CG 4.34Å; N18-L20 VanDerWaalsContact C-N 3.29Å; L20-L24 HydrophobicContact CD2-CD2 3.97Å; L20-R64 PolarHBondContact O-NH1 2.77Å; L20-R64 PolarHBondContact O-NH2 3.24Å
21R95.1Very high93.2Very high18 Ų1867.2 Ų67.27%0.06838%0.383CS..PPolyproline II helixtrans-64.9150.4174.573.9176.1-176.682.10.8111.2G23 L24 R27 T29 W85 Y152 E156R21-G23 PolarHBondContact O-N 2.85Å; R21-L24 HydrophobicContact CG-CB 4.33Å; R21-L24 HydrophobicContact CG-CD1 4.27Å; R21-L24 PolarHBondContact O-N 3.36Å; R21-R27 PolarHBondContact NH1-O 3.35Å; R21-R27 PolarHBondContact NH2-O 3.41Å; R21-T29 PolarHBondContact NH1-OG1 3.35Å; R21-W85 HydrophobicContact CB-CD2 4.38Å; R21-W85 HydrophobicContact CB-CH2 4.37Å; R21-W85 HydrophobicContact CB-CZ2 3.67Å; R21-Y152 HydrophobicContact CB-CE1 4.35Å; R21-E156 PolarHBondContact NH1-O 3.37Å
22P95.4Very high93.5Very high4 Ų467.6 Ų67.63%0.02637%0.373CS..THydrogen-bonded Turntrans-63.1131.1173.5-16.928.6000111.3T29 D62 W85P22-T29 HydrophobicContact CG-CG2 4.49Å; P22-T29 PolarHBondContact O-OG1 3.18Å; P22-D62 HydrophobicContact CB-CB 4.13Å; P22-D62 HydrophobicContact CG-CB 3.88Å; P22-D62 WeakPolarHBondContact CG-OD2 3.5Å; P22-W85 HydrophobicContact CG-CD2 4.48Å; P22-W85 HydrophobicContact CG-CE3 3.84Å; P22-W85 HydrophobicContact CG-CZ3 4.12Å
23G91.1Very high93.8Very high25 Ų2567 Ų6726%0.25837%0.37SS..THydrogen-bonded Turntrans77.125.3178.900000114.5R21 G25 D26 R27R21-G23 PolarHBondContact O-N 2.85Å; G23-G25 PolarHBondContact O-N 2.85Å; G23-D26 PolarHBondContact O-N 3.02Å; G23-R27 PolarHBondContact O-N 3.43Å; G23-R27 VanDerWaalsContact O-N 3.13Å; G23-R27 VanDerWaalsContact O-O 3.1Å
24L92.3Very high94Very high104 Ų10465.9 Ų65.955%0.54537%0.365SS..THydrogen-bonded Turntrans-55122172.6-175.268.8000110.6L20 R21 D26L20-L24 HydrophobicContact CD2-CD2 3.97Å; R21-L24 HydrophobicContact CG-CB 4.33Å; R21-L24 HydrophobicContact CG-CD1 4.27Å; R21-L24 PolarHBondContact O-N 3.36Å; L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3Å
25G88.9Confident94.1Very high82 Ų8259.3 Ų59.385%0.84533%0.329SS*.THydrogen-bonded Turntrans83-4-178.900000115.7G23G23-G25 PolarHBondContact O-N 2.85Å
26D90.4Very high94.2Very high134 Ų13458.8 Ų58.872%0.71730%0.303SS*.THydrogen-bonded Turntrans-116.3-62.2-175.9-176.627000111.6G23 L24G23-D26 PolarHBondContact O-N 3.02Å; L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3Å
27R93.9Very high94.2Very high95 Ų9557.3 Ų57.336%0.35830%0.297SS..  trans-138.7162.5-174.967.3-177-175.1-152.4-0.9113.7R21 G23 E63R21-R27 PolarHBondContact NH1-O 3.35Å; R21-R27 PolarHBondContact NH2-O 3.41Å; G23-R27 PolarHBondContact O-N 3.43Å; G23-R27 VanDerWaalsContact O-N 3.13Å; G23-R27 VanDerWaalsContact O-O 3.1Å; R27-E63 IonicContact CZ-OE1 2.66Å; R27-E63 IonicContact NH1-OE1 2.68Å; R27-E63 PolarHBondContact NH1-OE1 3.44Å; R27-E63 VanDerWaalsContact NH2-CD 3.35Å; R27-E63 IonicContact NH2-OE1 2.87Å; R27-E63 PolarHBondContact NH2-OE1 3.32Å
28V95.8Very high94.2Very high56 Ų5656.8 Ų56.834%0.33930%0.296SS..  trans-71132.9170.2-168.20000108.8E30 T155 E156 T158V28-E30 PolarHBondContact O-N 3.37Å; V28-T155 WeakPolarHBondContact CG2-O 3.23Å; V28-E156 WeakPolarHBondContact CG1-O 3.48Å; V28-T158 HydrophobicContact CG1-CG2 4.03Å
29T96.7Very high94.2Very high7 Ų753.9 Ų53.94%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-78.8110174.6-460000108.9R21 P22 W85 E156 V157 T158R21-T29 PolarHBondContact NH1-OG1 3.35Å; P22-T29 HydrophobicContact CG-CG2 4.49Å; P22-T29 PolarHBondContact O-OG1 3.18Å; T29-W85 HydrophobicContact CG2-CH2 4.08Å; T29-W85 HydrophobicContact CG2-CZ3 4.12Å; T29-E156 PolarHBondContact N-O 3.11Å; T29-V157 WeakPolarHBondContact O-CA 3.36Å; T29-T158 PolarHBondContact O-N 2.89Å; T29-T158 VanDerWaalsContact O-N 3.08Å
30E96.1Very high94.3Very high113 Ų11344.7 Ų44.753%0.52825%0.246SC..EExtended strand (participates in β ladder)trans-83.7120.7175.5-64-170.8165.500110.9V28 T158V28-E30 PolarHBondContact O-N 3.37Å; E30-T158 WeakPolarHBondContact CA-O 3.42Å; E30-T158 HydrophobicContact CG-CG2 3.95Å
31V97.2Very high94.1Very high0 Ų041.4 Ų41.40%023%0.231CC..EExtended strand (participates in β ladder)trans-109.5109.8177.6-1760000109.2T33 Q58 W60 P87 V157 T158 Y159 I160V31-T33 HydrophobicContact CG1-CG2 4.26Å; V31-Q58 HydrophobicContact CG1-CB 4.2Å; V31-W60 HydrophobicContact CG2-CB 4.24Å; V31-P87 HydrophobicContact CG1-CG 4.12Å; V31-P87 HydrophobicContact CG2-CB 4.18Å; V31-P87 HydrophobicContact CG2-CG 4.27Å; V31-V157 HydrophobicContact CG2-CG1 3.87Å; V31-T158 PolarHBondContact N-O 2.96Å; V31-Y159 HydrophobicContact CB-CD1 3.82Å; V31-Y159 HydrophobicContact CB-CE1 3.91Å; V31-Y159 HydrophobicContact CG1-CD1 3.89Å; V31-Y159 HydrophobicContact CG1-CE1 3.75Å; V31-Y159 HydrophobicContact CG2-CE1 4.49Å; V31-Y159 WeakPolarHBondContact O-CA 3.04Å; V31-I160 PolarHBondContact O-N 2.66Å
32K95.9Very high94Very high93 Ų9345 Ų4540%0.40426%0.257SS..EExtended strand (participates in β ladder)trans-78.9123.7173.7-69.4175.8-178.1-178.70110.2Q58 S59 I160 T162K32-Q58 CarbonylContact O-C 3.57Å; K32-Q58 VanDerWaalsContact O-CA 3.32Å; K32-Q58 WeakPolarHBondContact O-CA 3.39Å; K32-S59 PolarHBondContact N-O 3.22Å; K32-S59 PolarHBondContact O-N 3.38Å; K32-I160 CarbonylContact C-O 3.57Å; K32-I160 VanDerWaalsContact CA-O 3.27Å; K32-I160 WeakPolarHBondContact CA-O 3.16Å; K32-I160 HydrophobicContact CB-CG1 4.44Å; K32-I160 HydrophobicContact CD-CD1 4.35Å; K32-I160 HydrophobicContact CG-CD1 3.57Å; K32-I160 HydrophobicContact CG-CG1 3.68Å; K32-T162 HydrophobicContact CB-CG2 4.09Å; K32-T162 HydrophobicContact CD-CG2 4.39Å
33T95.6Very high94Very high0 Ų045.6 Ų45.60%026%0.26CS..EExtended strand (participates in β ladder)trans-113.8146.8-178.854.40000112.2V31 F56 R57 Q58 F147 Y159 I160 T162V31-T33 HydrophobicContact CG1-CG2 4.26Å; T33-F56 HydrophobicContact CG2-CZ 4.37Å; T33-R57 WeakPolarHBondContact CA-O 3.49Å; T33-Q58 HydrophobicContact CG2-CG 4.41Å; T33-F147 HydrophobicContact CG2-CE2 3.99Å; T33-Y159 HydrophobicContact CG2-CD1 3.62Å; T33-Y159 HydrophobicContact CG2-CE1 4.2Å; T33-I160 PolarHBondContact N-O 2.86Å; T33-I160 PolarHBondContact OG1-O 3.1Å; T33-T162 PolarHBondContact N-OG1 3.47Å; T33-T162 PolarHBondContact O-N 2.99Å; T33-T162 PolarHBondContact O-OG1 3.01Å
34N94.1Very high94Very high22 Ų2245.8 Ų45.812%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-144.9134.6174.9173.7-115.7000108.1R57 S168N34-R57 HydrophobicContact CB-CB 4.14Å; N34-R57 PolarHBondContact N-O 2.79Å; N34-R57 WeakPolarHBondContact O-CA 3.49Å; N34-R57 WeakPolarHBondContact O-CB 3.1Å; N34-R57 PolarHBondContact O-N 3.4Å; N34-R57 WeakPolarHBondContact OD1-CD 3.29Å; N34-R57 PolarHBondContact OD1-NH1 2.94Å; N34-R57 VanDerWaalsContact OD1-NH1 3.17Å; N34-S168 PolarHBondContact ND2-O 3.07Å
35V95.1Very high94Very high1 Ų141.4 Ų41.41%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-119.6125.8-179.7-176.70000107.4V37 V54 F56 F147 W161 S168 V169 D170V35-V37 HydrophobicContact CG1-CG2 4.32Å; V35-V54 HydrophobicContact CG1-CB 3.94Å; V35-V54 HydrophobicContact CG1-CG1 3.79Å; V35-F56 HydrophobicContact CG2-CD2 3.83Å; V35-F56 HydrophobicContact CG2-CE2 3.95Å; V35-F147 HydrophobicContact CG2-CE1 4.23Å; V35-F147 HydrophobicContact CG2-CZ 4.31Å; V35-W161 HydrophobicContact CG2-CH2 4.4Å; V35-W161 HydrophobicContact CG2-CZ3 4.09Å; V35-S168 PolarHBondContact N-O 3.42Å; V35-V169 HydrophobicContact CB-CG2 4.23Å; V35-V169 WeakPolarHBondContact O-CA 3.2Å; V35-D170 PolarHBondContact O-N 3.47Å; V35-D170 VanDerWaalsContact O-N 3.1Å
36Y94.4Very high94Very high69 Ų6942 Ų4227%0.27122%0.222SC..EExtended strand (participates in β ladder)trans-114.3113169.6-179.1-89.3000108.2T38 V54 F55 D170 A172Y36-T38 HydrophobicContact CD1-CG2 3.96Å; Y36-T38 HydrophobicContact CE1-CG2 4.01Å; Y36-T38 PolarHBondContact O-N 3.21Å; Y36-V54 CarbonylContact O-C 3.48Å; Y36-V54 WeakPolarHBondContact O-CA 3.44Å; Y36-F55 AromaticContact CD1-CD2 3.98Å; Y36-F55 HydrophobicContact CD1-CD2 3.98Å; Y36-F55 PolarHBondContact N-O 2.86Å; Y36-F55 PolarHBondContact O-N 3.13Å; Y36-D170 CarbonylContact C-O 3.57Å; Y36-D170 WeakPolarHBondContact CA-O 3.49Å; Y36-D170 HydrophobicContact CD2-CB 4.05Å; Y36-A172 HydrophobicContact CE1-CB 4.4Å
37V95.3Very high94.1Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-81.5112.3178.7-1790000108.1V35 V52 D53 V54 D170 V171 A172 F207V35-V37 HydrophobicContact CG1-CG2 4.32Å; V37-V52 HydrophobicContact CG1-CG2 3.57Å; V37-V52 HydrophobicContact CG2-CG2 4.24Å; V37-D53 WeakPolarHBondContact CA-O 3.39Å; V37-V54 HydrophobicContact CG2-CG1 4.1Å; V37-D170 PolarHBondContact N-O 2.67Å; V37-V171 HydrophobicContact CB-CB 4.33Å; V37-V171 HydrophobicContact CB-CG1 4.19Å; V37-V171 HydrophobicContact CB-CG2 4.05Å; V37-V171 HydrophobicContact CG1-CG1 4.18Å; V37-V171 HydrophobicContact CG2-CG2 4.15Å; V37-A172 PolarHBondContact O-N 2.77Å; V37-F207 HydrophobicContact CG2-CE1 4.04Å; V37-F207 HydrophobicContact CG2-CZ 3.91Å
38T93.8Very high94Very high31 Ų3138 Ų3819%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-79.4-40.2177.455.20000111.4Y36 D53 F55 G175Y36-T38 HydrophobicContact CD1-CG2 3.96Å; Y36-T38 HydrophobicContact CE1-CG2 4.01Å; Y36-T38 PolarHBondContact O-N 3.21Å; T38-D53 PolarHBondContact N-O 3.3Å; T38-D53 VanDerWaalsContact OG1-CB 3.24Å; T38-D53 WeakPolarHBondContact OG1-CB 3.48Å; T38-D53 PolarHBondContact OG1-O 3.34Å; T38-F55 HydrophobicContact CG2-CD2 3.3Å; T38-F55 HydrophobicContact CG2-CE2 3.29Å; T38-F55 HydrophobicContact CG2-CG 4.37Å; T38-F55 HydrophobicContact CG2-CZ 4.35Å; T38-G175 WeakPolarHBondContact O-CA 3.3Å
39S93.6Very high94Very high8 Ų836.6 Ų36.66%0.05620%0.196CC..EExtended strand (participates in β ladder)trans-150.3134177.433.20000110.3D53 G175S39-D53 PolarHBondContact N-O 3Å; S39-D53 PolarHBondContact O-N 2.97Å; S39-D53 WeakPolarHBondContact OG-CB 3.5Å; S39-D53 PolarHBondContact OG-OD2 2.71Å; S39-G175 CarbonylContact C-O 3.6Å; S39-G175 VanDerWaalsContact CA-O 3.26Å; S39-G175 WeakPolarHBondContact CA-O 3.46Å
40F93.9Very high93.9Very high0 Ų036.3 Ų36.30%019%0.194CC..EExtended strand (participates in β ladder)trans-90.9112.6166.5-156.4-77000107.6V43 Y50 V52 G175 R177 L178 F207 L209F40-V43 HydrophobicContact CE1-CG2 3.81Å; F40-Y50 HydrophobicContact CE1-CD2 4.06Å; F40-Y50 AromaticContact CE2-CD2 3.92Å; F40-Y50 HydrophobicContact CE2-CD2 3.92Å; F40-Y50 HydrophobicContact CE2-CE2 4.09Å; F40-Y50 AromaticContact CZ-CD2 3.4Å; F40-Y50 HydrophobicContact CZ-CD2 3.4Å; F40-Y50 AromaticContact CZ-CE2 3.97Å; F40-Y50 HydrophobicContact CZ-CE2 3.97Å; F40-Y50 HydrophobicContact CZ-CG 4.05Å; F40-V52 HydrophobicContact CD2-CG2 4.17Å; F40-G175 PolarHBondContact N-O 2.83Å; F40-R177 PolarHBondContact O-N 2.72Å; F40-L178 HydrophobicContact CD1-CD1 3.72Å; F40-L178 HydrophobicContact CD1-CD2 3.71Å; F40-L178 HydrophobicContact CD1-CG 3.87Å; F40-L178 HydrophobicContact CE1-CD1 4.18Å; F40-L178 HydrophobicContact CE1-CD2 4.03Å; F40-L178 HydrophobicContact CG-CD1 4.37Å; F40-F207 HydrophobicContact CD2-CD1 4.48Å; F40-F207 HydrophobicContact CD2-CG 4.47Å; F40-F207 HydrophobicContact CE2-CB 3.87Å; F40-F207 HydrophobicContact CE2-CD1 4.13Å; F40-F207 AromaticContact CE2-CD2 3.87Å; F40-F207 HydrophobicContact CE2-CD2 3.87Å; F40-F207 HydrophobicContact CE2-CE2 4.43Å; F40-F207 AromaticContact CE2-CG 3.68Å; F40-F207 HydrophobicContact CE2-CG 3.68Å; F40-F207 HydrophobicContact CZ-CB 4.33Å; F40-L209 HydrophobicContact CE1-CD1 4.2Å; F40-L209 HydrophobicContact CE1-CD2 4.1Å; F40-L209 HydrophobicContact CZ-CD1 4.14Å; F40-L209 HydrophobicContact CZ-CD2 4.11Å
41G91.9Very high93.9Very high7 Ų732.6 Ų32.67%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-78.4-170.5-175.800000113.1T51 L178G41-T51 WeakPolarHBondContact CA-O 3.26Å; G41-T51 PolarHBondContact N-O 3.23Å; G41-L178 WeakPolarHBondContact O-CD2 3.01Å
42P92.8Very high93.8Very high95 Ų9532.6 Ų32.662%0.61718%0.179SC*.EExtended strand (participates in β ladder)trans-66.2149.3179.628.7-34.6000111.7T51P42-T51 PolarHBondContact O-N 2.75Å
43V94.1Very high93.8Very high16 Ų1629.4 Ų29.410%0.09717%0.167CC..EExtended strand (participates in β ladder)trans-105.1127.9173.2178.90000107.2F40 M131 L178 Y181 L209F40-V43 HydrophobicContact CE1-CG2 3.81Å; V43-M131 HydrophobicContact CG1-CE 3.36Å; V43-L178 HydrophobicContact CG2-CD2 3.67Å; V43-Y181 HydrophobicContact CB-CD2 4.03Å; V43-Y181 HydrophobicContact CB-CE2 3.97Å; V43-Y181 HydrophobicContact CG1-CD2 4.29Å; V43-Y181 HydrophobicContact CG1-CE2 3.79Å; V43-Y181 HydrophobicContact CG2-CD2 4.31Å; V43-L209 HydrophobicContact CG2-CD1 3.81Å
44S92.9Very high93.8Very high28 Ų2829.4 Ų29.420%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-102110.8177-179.40000109.4T46 D47 M48 E49S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 PolarHBondContact OG-OG1 2.82Å; S44-D47 PolarHBondContact OG-N 2.88Å; S44-D47 PolarHBondContact OG-OD2 2.8Å; S44-M48 WeakPolarHBondContact O-CA 3.41Å; S44-M48 PolarHBondContact O-N 3.3Å; S44-M48 VanDerWaalsContact O-N 3.08Å; S44-E49 PolarHBondContact N-O 3.45Å; S44-E49 PolarHBondContact O-N 2.75Å
45D91.4Very high93.9Very high13 Ų1331.7 Ų31.77%0.0718%0.176CC..THydrogen-bonded Turntrans-66.9-32.5172.5-67.3-41.2000111.5Y181 R211 P268D45-Y181 PolarHBondContact OD1-OH 3.42Å; D45-R211 IonicContact OD1-CZ 3.43Å; D45-R211 IonicContact OD1-NH1 3.77Å; D45-R211 PolarHBondContact OD1-NH1 3.5Å; D45-R211 IonicContact OD1-NH2 3.3Å; D45-R211 PolarHBondContact OD1-NH2 2.96Å; D45-R211 IonicContact OD2-CZ 2.91Å; D45-R211 IonicContact OD2-NH1 3.81Å; D45-R211 PolarHBondContact OD2-NH1 2.97Å; D45-R211 IonicContact OD2-NH2 2.73Å; D45-R211 PolarHBondContact OD2-NH2 2.93Å; D45-P268 HydrophobicContact CB-CG 4.32Å; D45-P268 WeakPolarHBondContact O-CG 3.41Å
46T89.3Confident94Very high94 Ų9431.8 Ų31.858%0.57718%0.176SC*.THydrogen-bonded Turntrans-69.4-42-177.148.30000112.6S44S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 PolarHBondContact OG-OG1 2.82Å
47D91.3Very high94.1Very high86 Ų8633.1 Ų33.146%0.4618%0.181SC..THydrogen-bonded Turntrans-99.80.5-176.2-53.7-64.2000112.5S44 E49 K95S44-D47 PolarHBondContact OG-N 2.88Å; S44-D47 PolarHBondContact OG-OD2 2.8Å; D47-E49 VanDerWaalsContact C-N 3.34Å; D47-E49 HydrophobicContact CB-CG 3.8Å; D47-E49 PolarHBondContact O-N 2.91Å; D47-K95 PolarHBondContact O-NZ 3.21Å
48M92.9Very high94.1Very high60 Ų6033.2 Ų33.230%0.29618%0.181SC..THydrogen-bonded Turntrans49.953.1-177.4-65.5-174.7173.500111.8S44 C129S44-M48 WeakPolarHBondContact O-CA 3.41Å; S44-M48 PolarHBondContact O-N 3.3Å; S44-M48 VanDerWaalsContact O-N 3.08Å; M48-C129 CarbonylContact C-O 3.59Å; M48-C129 PolarHBondContact O-N 3.49Å
49E95.3Very high94.2Very high25 Ų2532.7 Ų32.712%0.11718%0.179CC..EExtended strand (participates in β ladder)trans-145.5162.6-175.466.7-176.9-161.800112S44 D47 K95 Q126 A127S44-E49 PolarHBondContact N-O 3.45Å; S44-E49 PolarHBondContact O-N 2.75Å; D47-E49 VanDerWaalsContact C-N 3.34Å; D47-E49 HydrophobicContact CB-CG 3.8Å; D47-E49 PolarHBondContact O-N 2.91Å; E49-K95 WeakPolarHBondContact OE2-CD 3.32Å; E49-K95 IonicContact OE2-NZ 2.97Å; E49-Q126 PolarHBondContact OE1-NE2 3.22Å; E49-Q126 PolarHBondContact OE2-NE2 3.17Å; E49-A127 CarbonylContact C-O 3.57Å; E49-A127 VanDerWaalsContact CA-O 3.26Å; E49-A127 WeakPolarHBondContact CA-O 3.24Å; E49-A127 WeakPolarHBondContact CB-O 3.43Å
50Y95.6Very high94.4Very high1 Ų132.5 Ų32.50%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-139.6153.5174.868.8-78.1000110F40 V52 Q126 A127 C129 C143 P144 L145 F207F40-Y50 HydrophobicContact CE1-CD2 4.06Å; F40-Y50 AromaticContact CE2-CD2 3.92Å; F40-Y50 HydrophobicContact CE2-CD2 3.92Å; F40-Y50 HydrophobicContact CE2-CE2 4.09Å; F40-Y50 AromaticContact CZ-CD2 3.4Å; F40-Y50 HydrophobicContact CZ-CD2 3.4Å; F40-Y50 AromaticContact CZ-CE2 3.97Å; F40-Y50 HydrophobicContact CZ-CE2 3.97Å; F40-Y50 HydrophobicContact CZ-CG 4.05Å; Y50-V52 HydrophobicContact CD2-CB 4.34Å; Y50-V52 HydrophobicContact CE2-CB 4.17Å; Y50-V52 HydrophobicContact CE2-CG1 4.05Å; Y50-Q126 WeakPolarHBondContact O-CA 3.39Å; Y50-A127 HydrophobicContact CD1-CB 4.36Å; Y50-A127 VanDerWaalsContact CD1-O 3.3Å; Y50-A127 WeakPolarHBondContact CD1-O 3.48Å; Y50-A127 HydrophobicContact CE1-CB 3.67Å; Y50-A127 HydrophobicContact CE2-CB 4.38Å; Y50-A127 PolarHBondContact N-O 2.86Å; Y50-A127 PolarHBondContact O-N 2.87Å; Y50-C129 HydrophobicContact CD1-CB 3.64Å; Y50-C129 HydrophobicContact CE1-CB 3.97Å; Y50-C143 HydrophobicContact CD1-CB 3.99Å; Y50-C143 HydrophobicContact CE1-CB 3.77Å; Y50-P144 PolarHBondContact OH-O 2.85Å; Y50-L145 WeakPolarHBondContact OH-CB 3.49Å; Y50-L145 PolarHBondContact OH-N 3.28Å; Y50-F207 HydrophobicContact CE2-CD2 4.22Å
51T95.4Very high94.5Very high35 Ų3535.6 Ų35.622%0.21519%0.193CC..EExtended strand (participates in β ladder)trans-106.5134.3176-55.60000109.8G41 P42 T124 V125G41-T51 WeakPolarHBondContact CA-O 3.26Å; G41-T51 PolarHBondContact N-O 3.23Å; P42-T51 PolarHBondContact O-N 2.75Å; T51-T124 HydrophobicContact CG2-CG2 3.5Å; T51-V125 CarbonylContact C-O 3.42Å; T51-V125 WeakPolarHBondContact CA-O 3.35Å
52V95.7Very high94.7Very high0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-134.3133176.266.70000110.8V37 F40 Y50 V54 T124 V125V37-V52 HydrophobicContact CG1-CG2 3.57Å; V37-V52 HydrophobicContact CG2-CG2 4.24Å; F40-V52 HydrophobicContact CD2-CG2 4.17Å; Y50-V52 HydrophobicContact CD2-CB 4.34Å; Y50-V52 HydrophobicContact CE2-CB 4.17Å; Y50-V52 HydrophobicContact CE2-CG1 4.05Å; V52-V54 HydrophobicContact CG1-CG1 4.2Å; V52-V54 HydrophobicContact CG2-CG1 3.78Å; V52-T124 WeakPolarHBondContact O-CA 3.44Å; V52-V125 HydrophobicContact CG1-CB 4Å; V52-V125 PolarHBondContact N-O 3.2Å; V52-V125 PolarHBondContact O-N 2.94Å
53D95.5Very high94.8Very high26 Ų2635 Ų3514%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-98.8123.6173.4-63.4-40.9000109.4V37 T38 S39 L123 T124V37-D53 WeakPolarHBondContact CA-O 3.39Å; T38-D53 PolarHBondContact N-O 3.3Å; T38-D53 VanDerWaalsContact OG1-CB 3.24Å; T38-D53 WeakPolarHBondContact OG1-CB 3.48Å; T38-D53 PolarHBondContact OG1-O 3.34Å; S39-D53 PolarHBondContact N-O 3Å; S39-D53 PolarHBondContact O-N 2.97Å; S39-D53 WeakPolarHBondContact OG-CB 3.5Å; S39-D53 PolarHBondContact OG-OD2 2.71Å; D53-L123 WeakPolarHBondContact CA-O 3.48Å; D53-T124 VanDerWaalsContact OD1-CB 3.3Å; D53-T124 WeakPolarHBondContact OD1-CB 3.33Å; D53-T124 VanDerWaalsContact OD1-CG2 3.3Å; D53-T124 WeakPolarHBondContact OD1-CG2 3.31Å; D53-T124 PolarHBondContact OD1-OG1 2.87Å
54V96Very high94.8Very high0 Ų038.7 Ų38.70%019%0.192CC..EExtended strand (participates in β ladder)trans-132.4143-173.8-58.30000112V35 Y36 V37 V52 F56 R122 L123 V125V35-V54 HydrophobicContact CG1-CB 3.94Å; V35-V54 HydrophobicContact CG1-CG1 3.79Å; Y36-V54 CarbonylContact O-C 3.48Å; Y36-V54 WeakPolarHBondContact O-CA 3.44Å; V37-V54 HydrophobicContact CG2-CG1 4.1Å; V52-V54 HydrophobicContact CG1-CG1 4.2Å; V52-V54 HydrophobicContact CG2-CG1 3.78Å; V54-F56 HydrophobicContact CG2-CB 4.32Å; V54-R122 WeakPolarHBondContact O-CA 3.32Å; V54-L123 HydrophobicContact CG2-CB 3.99Å; V54-L123 PolarHBondContact N-O 2.85Å; V54-L123 PolarHBondContact O-N 2.95Å; V54-V125 HydrophobicContact CG2-CG2 4.43Å
55F96Very high94.9Very high70 Ų7037.4 Ų37.431%0.30718%0.183SC..EExtended strand (participates in β ladder)trans-87.1105.3151.9-72.2-66.8000108.2Y36 T38 M121 R122Y36-F55 AromaticContact CD1-CD2 3.98Å; Y36-F55 HydrophobicContact CD1-CD2 3.98Å; Y36-F55 PolarHBondContact N-O 2.86Å; Y36-F55 PolarHBondContact O-N 3.13Å; T38-F55 HydrophobicContact CG2-CD2 3.3Å; T38-F55 HydrophobicContact CG2-CE2 3.29Å; T38-F55 HydrophobicContact CG2-CG 4.37Å; T38-F55 HydrophobicContact CG2-CZ 4.35Å; F55-M121 WeakPolarHBondContact CA-O 3.4Å; F55-R122 HydrophobicContact CD1-CB 3.92Å; F55-R122 HydrophobicContact CD1-CG 4.21Å; F55-R122 HydrophobicContact CE1-CB 3.73Å; F55-R122 HydrophobicContact CE1-CG 3.89Å; F55-R122 HydrophobicContact CZ-CG 4.41Å
56F96.7Very high95Very high4 Ų441.9 Ų41.92%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-90114.6178-168.7-109000109.1T33 V35 V54 Q58 T89 F91 T120 M121 L123 F147T33-F56 HydrophobicContact CG2-CZ 4.37Å; V35-F56 HydrophobicContact CG2-CD2 3.83Å; V35-F56 HydrophobicContact CG2-CE2 3.95Å; V54-F56 HydrophobicContact CG2-CB 4.32Å; F56-Q58 HydrophobicContact CD1-CG 3.91Å; F56-Q58 VanDerWaalsContact CE1-CD 3.48Å; F56-Q58 HydrophobicContact CE1-CG 3.58Å; F56-Q58 VanDerWaalsContact CE1-NE2 3.29Å; F56-Q58 HydrophobicContact CZ-CG 4.32Å; F56-T89 HydrophobicContact CE1-CG2 3.88Å; F56-T89 HydrophobicContact CZ-CG2 3.77Å; F56-F91 HydrophobicContact CD2-CZ 4.49Å; F56-T120 CarbonylContact O-C 3.46Å; F56-T120 VanDerWaalsContact O-CA 3.32Å; F56-T120 WeakPolarHBondContact O-CA 3.42Å; F56-M121 HydrophobicContact CB-CG 3.92Å; F56-M121 HydrophobicContact CD1-CG 4.35Å; F56-M121 HydrophobicContact CD1-SD 4.4Å; F56-M121 PolarHBondContact N-O 2.73Å; F56-M121 PolarHBondContact O-N 3.31Å; F56-L123 HydrophobicContact CB-CD1 4.12Å; F56-F147 HydrophobicContact CE2-CD1 4.27Å; F56-F147 AromaticContact CE2-CD2 3.92Å; F56-F147 HydrophobicContact CE2-CD2 3.92Å; F56-F147 HydrophobicContact CE2-CE1 4.1Å; F56-F147 AromaticContact CE2-CE2 3.74Å; F56-F147 HydrophobicContact CE2-CE2 3.74Å; F56-F147 HydrophobicContact CE2-CG 4.18Å; F56-F147 AromaticContact CE2-CZ 3.83Å; F56-F147 HydrophobicContact CE2-CZ 3.83Å; F56-F147 AromaticContact CZ-CD2 3.69Å; F56-F147 HydrophobicContact CZ-CD2 3.69Å; F56-F147 AromaticContact CZ-CE2 3.71Å; F56-F147 HydrophobicContact CZ-CE2 3.71Å; F56-F147 HydrophobicContact CZ-CG 4.26Å; F56-F147 HydrophobicContact CZ-CZ 4.28Å
57R95.8Very high95.1Very high96 Ų9638.4 Ų38.436%0.36218%0.179SC..EExtended strand (participates in β ladder)trans-112.4137.1-176.8-62.5176.3-177.3156.3-1.4110.2T33 N34 Y119 T120T33-R57 WeakPolarHBondContact CA-O 3.49Å; N34-R57 HydrophobicContact CB-CB 4.14Å; N34-R57 PolarHBondContact N-O 2.79Å; N34-R57 WeakPolarHBondContact O-CA 3.49Å; N34-R57 WeakPolarHBondContact O-CB 3.1Å; N34-R57 PolarHBondContact O-N 3.4Å; N34-R57 WeakPolarHBondContact OD1-CD 3.29Å; N34-R57 PolarHBondContact OD1-NH1 2.94Å; N34-R57 VanDerWaalsContact OD1-NH1 3.17Å; R57-Y119 WeakPolarHBondContact CA-O 3.3Å; R57-T120 WeakPolarHBondContact CG-OG1 3.48Å
58Q96.5Very high95.1Very high2 Ų242.1 Ų42.11%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-134.4140.2179.8-53.1-171.1-64.700109.1V31 K32 T33 F56 W60 T89 L118 Y119V31-Q58 HydrophobicContact CG1-CB 4.2Å; K32-Q58 CarbonylContact O-C 3.57Å; K32-Q58 VanDerWaalsContact O-CA 3.32Å; K32-Q58 WeakPolarHBondContact O-CA 3.39Å; T33-Q58 HydrophobicContact CG2-CG 4.41Å; F56-Q58 HydrophobicContact CD1-CG 3.91Å; F56-Q58 VanDerWaalsContact CE1-CD 3.48Å; F56-Q58 HydrophobicContact CE1-CG 3.58Å; F56-Q58 VanDerWaalsContact CE1-NE2 3.29Å; F56-Q58 HydrophobicContact CZ-CG 4.32Å; Q58-W60 HydrophobicContact CB-CE3 4.28Å; Q58-W60 HydrophobicContact CB-CZ3 4Å; Q58-T89 PolarHBondContact NE2-OG1 3.04Å; Q58-L118 WeakPolarHBondContact O-CA 3.43Å; Q58-Y119 PolarHBondContact N-O 3.13Å; Q58-Y119 PolarHBondContact O-N 3.05Å
59S96.4Very high94.8Very high20 Ų2040.2 Ų40.214%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-139.5131.7176.2-175.20000110.7K32 T116 L117K32-S59 PolarHBondContact N-O 3.22Å; K32-S59 PolarHBondContact O-N 3.38Å; S59-T116 WeakPolarHBondContact OG-CG2 3.5Å; S59-L117 WeakPolarHBondContact CA-O 3.17Å; S59-L117 VanDerWaalsContact CB-O 3.3Å; S59-L117 WeakPolarHBondContact CB-O 3.49Å; S59-L117 PolarHBondContact OG-O 3.16Å
60W96.8Very high94.4Very high4 Ų443.7 Ų43.72%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-146.3164178.366.595.1000109.6V31 Q58 W85 T86 P87 T116 L117 Y119V31-W60 HydrophobicContact CG2-CB 4.24Å; Q58-W60 HydrophobicContact CB-CE3 4.28Å; Q58-W60 HydrophobicContact CB-CZ3 4Å; W60-W85 HydrophobicContact CG-CZ3 4.44Å; W60-W85 VanDerWaalsContact CZ2-O 3.32Å; W60-W85 WeakPolarHBondContact CZ2-O 3.38Å; W60-W85 AromaticContact NE1-CE3 3.86Å; W60-W85 AromaticContact NE1-CZ3 3.9Å; W60-T86 HydrophobicContact CH2-CG2 4.16Å; W60-T86 HydrophobicContact CZ2-CG2 4.41Å; W60-P87 HydrophobicContact CE3-CG 4.24Å; W60-P87 HydrophobicContact CZ3-CG 4.16Å; W60-T116 WeakPolarHBondContact O-CA 3.28Å; W60-L117 HydrophobicContact CD2-CB 4.29Å; W60-L117 HydrophobicContact CH2-CB 4.45Å; W60-L117 HydrophobicContact CZ2-CB 4.07Å; W60-L117 HydrophobicContact CZ2-CD2 4.06Å; W60-L117 HydrophobicContact CZ2-CG 4.49Å; W60-L117 PolarHBondContact N-O 3.49Å; W60-L117 PolarHBondContact O-N 3.14Å; W60-Y119 HydrophobicContact CH2-CD1 4.32Å; W60-Y119 HydrophobicContact CH2-CG 4.19Å; W60-Y119 HydrophobicContact CZ3-CD1 4.43Å; W60-Y119 HydrophobicContact CZ3-CG 4.42Å
61L96.3Very high94Very high66 Ų6648.6 Ų48.635%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-99121.1178-179.865.4000110E63 N114L61-E63 HydrophobicContact CG-CG 4.39Å; L61-N114 WeakPolarHBondContact CD1-O 3.4Å
62D96.3Very high93.7Very high1 Ų152.5 Ų52.51%0.00526%0.257CS..  trans-118.6107.7167.4-166.8-14.4000109.1Y16 P22 R64 L65 G115 L117Y16-D62 WeakPolarHBondContact CE2-OD2 3.37Å; Y16-D62 PolarHBondContact OH-OD2 2.8Å; P22-D62 HydrophobicContact CB-CB 4.13Å; P22-D62 HydrophobicContact CG-CB 3.88Å; P22-D62 WeakPolarHBondContact CG-OD2 3.5Å; D62-R64 PolarHBondContact O-N 3Å; D62-R64 WeakPolarHBondContact OD1-CB 3.42Å; D62-R64 IonicContact OD1-CZ 3.64Å; D62-R64 PolarHBondContact OD1-N 3.08Å; D62-R64 IonicContact OD1-NE 3.75Å; D62-R64 PolarHBondContact OD1-NE 2.86Å; D62-R64 IonicContact OD1-NH2 3.53Å; D62-R64 IonicContact OD2-CZ 2.69Å; D62-R64 IonicContact OD2-NE 3.15Å; D62-R64 IonicContact OD2-NH2 2.73Å; D62-R64 PolarHBondContact OD2-NH2 3.04Å; D62-L65 HydrophobicContact CB-CD1 4.05Å; D62-L65 HydrophobicContact CB-CG 4.31Å; D62-L65 PolarHBondContact O-N 2.91Å; D62-G115 PolarHBondContact N-O 3.11Å; D62-G115 WeakPolarHBondContact O-CA 3.5Å; D62-L117 HydrophobicContact CB-CD1 3.49Å; D62-L117 VanDerWaalsContact CB-CD1 3.49Å
63E93.9Very high93.5Very high88 Ų8855.7 Ų55.741%0.41128%0.277SS..G310 helixtrans-68.5-21.7-175.7-62.1-167.3-175.100113.4R27 L61 L65 K66R27-E63 IonicContact CZ-OE1 2.66Å; R27-E63 IonicContact NH1-OE1 2.68Å; R27-E63 PolarHBondContact NH1-OE1 3.44Å; R27-E63 VanDerWaalsContact NH2-CD 3.35Å; R27-E63 IonicContact NH2-OE1 2.87Å; R27-E63 PolarHBondContact NH2-OE1 3.32Å; L61-E63 HydrophobicContact CG-CG 4.39Å; E63-L65 PolarHBondContact O-N 3.43Å; E63-K66 HydrophobicContact CB-CD 4.43Å; E63-K66 WeakPolarHBondContact O-CG 3.5Å; E63-K66 PolarHBondContact O-N 3.26Å; E63-K66 IonicContact OE2-NZ 3.77Å; E63-K66 PolarHBondContact OE2-NZ 3.37Å
64R94.6Very high93.3Very high94 Ų9455.3 Ų55.336%0.35528%0.275SS..G310 helixtrans-68.2-20177.8-58.9172.4-67.8176.72.8112.3Y16 D17 L20 D62Y16-R64 HydrophobicContact CD2-CB 4.01Å; Y16-R64 HydrophobicContact CE2-CB 4.08Å; Y16-R64 PolarHBondContact OH-NH2 3.21Å; D17-R64 PolarHBondContact O-NH1 2.8Å; L20-R64 PolarHBondContact O-NH1 2.77Å; L20-R64 PolarHBondContact O-NH2 3.24Å; D62-R64 PolarHBondContact O-N 3Å; D62-R64 WeakPolarHBondContact OD1-CB 3.42Å; D62-R64 IonicContact OD1-CZ 3.64Å; D62-R64 PolarHBondContact OD1-N 3.08Å; D62-R64 IonicContact OD1-NE 3.75Å; D62-R64 PolarHBondContact OD1-NE 2.86Å; D62-R64 IonicContact OD1-NH2 3.53Å; D62-R64 IonicContact OD2-CZ 2.69Å; D62-R64 IonicContact OD2-NE 3.15Å; D62-R64 IonicContact OD2-NH2 2.73Å; D62-R64 PolarHBondContact OD2-NH2 3.04Å
65L94.6Very high93Very high0 Ų059.6 Ų59.60%030%0.303CS..G310 helixtrans-103.918.2-177.3-55.7174000112.3L12 Y16 D62 E63 I84 I111 L117L12-L65 HydrophobicContact CD1-CB 4.44Å; L12-L65 WeakPolarHBondContact CD1-O 3.08Å; L12-L65 HydrophobicContact CD2-CB 4.33Å; L12-L65 HydrophobicContact CD2-CD2 3.38Å; L12-L65 HydrophobicContact CD2-CG 4.38Å; L12-L65 HydrophobicContact CG-CB 4.43Å; L12-L65 HydrophobicContact CG-CD2 3.89Å; Y16-L65 HydrophobicContact CD2-CD2 3.66Å; Y16-L65 HydrophobicContact CD2-CG 4.3Å; Y16-L65 HydrophobicContact CE2-CD1 4.07Å; Y16-L65 HydrophobicContact CE2-CD2 3.62Å; Y16-L65 HydrophobicContact CE2-CG 3.82Å; Y16-L65 HydrophobicContact CG-CD2 4.36Å; D62-L65 HydrophobicContact CB-CD1 4.05Å; D62-L65 HydrophobicContact CB-CG 4.31Å; D62-L65 PolarHBondContact O-N 2.91Å; E63-L65 PolarHBondContact O-N 3.43Å; L65-I84 HydrophobicContact CD1-CD1 4.19Å; L65-I84 HydrophobicContact CD1-CG1 4.23Å; L65-I84 HydrophobicContact CD1-CG2 3.71Å; L65-I111 HydrophobicContact CB-CG2 4.38Å; L65-L117 HydrophobicContact CD1-CD1 4.03Å; L65-L117 HydrophobicContact CD1-CD2 3.72Å; L65-L117 HydrophobicContact CD1-CG 4.38Å
66K94.1Very high92.6Very high107 Ų10757.4 Ų57.447%0.46529%0.294SS..  trans-65.9137.5168-74.4171.9-178.6169.10109.1E63 N114E63-K66 HydrophobicContact CB-CD 4.43Å; E63-K66 WeakPolarHBondContact O-CG 3.5Å; E63-K66 PolarHBondContact O-N 3.26Å; E63-K66 IonicContact OE2-NZ 3.77Å; E63-K66 PolarHBondContact OE2-NZ 3.37Å; K66-N114 VanDerWaalsContact CE-O 3.29Å; K66-N114 WeakPolarHBondContact CE-O 3.41Å; K66-N114 WeakPolarHBondContact CG-O 3.32Å
67F92.5Very high92Very high22 Ų2262.2 Ų62.210%0.09632%0.32CS..  trans-137159.9174.566.2-83.9000108.9I8 L12 M71 L74 I111 E113I8-F67 HydrophobicContact CG2-CB 3.91Å; I8-F67 HydrophobicContact CG2-CD2 4.14Å; I8-F67 HydrophobicContact CG2-CG 4.2Å; L12-F67 HydrophobicContact CD1-CB 4.04Å; L12-F67 HydrophobicContact CD1-CD1 4.13Å; L12-F67 HydrophobicContact CD1-CG 4.44Å; F67-M71 WeakPolarHBondContact CE2-O 3.4Å; F67-L74 HydrophobicContact CD1-CD1 3.94Å; F67-L74 HydrophobicContact CD2-CD1 3.96Å; F67-L74 HydrophobicContact CE1-CD1 3.68Å; F67-L74 HydrophobicContact CE1-CG 4.02Å; F67-L74 HydrophobicContact CE2-CD1 3.71Å; F67-L74 HydrophobicContact CE2-CG 3.86Å; F67-L74 HydrophobicContact CG-CD1 4.09Å; F67-L74 HydrophobicContact CZ-CB 4.44Å; F67-L74 HydrophobicContact CZ-CD1 3.57Å; F67-L74 HydrophobicContact CZ-CG 3.54Å; F67-I111 HydrophobicContact CD1-CG2 4.23Å; F67-I111 HydrophobicContact CE1-CB 4.41Å; F67-I111 HydrophobicContact CE1-CG2 3.97Å; F67-E113 HydrophobicContact CZ-CB 4.34Å; F67-E113 WeakPolarHBondContact O-CG 3.32Å
68H90.6Very high91.4Very high163 Ų16359 Ų5976%0.75531%0.31SS*.  trans-120.9128.4170.5-172.857.7000108.6E113H68-E113 IonicContact CE1-OE1 2.85Å; H68-E113 IonicContact ND1-OE1 2.96Å; H68-E113 PolarHBondContact ND1-OE1 2.84Å
69G86.1Confident90.7Very high20 Ų2065.2 Ų65.221%0.20634%0.343CS..SBendtrans-169.6177.2-175.800000112.2M71G69-M71 PolarHBondContact O-N 3.19Å; G69-M71 VanDerWaalsContact O-N 3.12Å
70P87.7Confident90.2Very high99 Ų9965.1 Ų65.164%0.64334%0.34SS*.SBendtrans-71.4-4.4-177.329.9-35.9000113.9F5F5-P70 HydrophobicContact CZ-CG 4.44Å
71M87.3Confident89.7Confident103 Ų10365.3 Ų65.351%0.50734%0.343SS..  trans-122.4137.9-176.4-67.8-64.1-150.800110.5F5 F67 G69 T73F5-M71 HydrophobicContact CE1-CG 3.81Å; F5-M71 HydrophobicContact CZ-CG 4.02Å; F67-M71 WeakPolarHBondContact CE2-O 3.4Å; G69-M71 PolarHBondContact O-N 3.19Å; G69-M71 VanDerWaalsContact O-N 3.12Å; M71-T73 VanDerWaalsContact C-N 3.35Å
72N89.1Confident89.4Confident117 Ų11766.3 Ų66.363%0.62636%0.355SS*.SBendtrans-79.8-20.3178.8-59.6-5.9000112.6M112 E113N72-M112 CarbonylContact O-C 3.46Å; N72-M112 WeakPolarHBondContact O-CA 3.41Å; N72-E113 PolarHBondContact O-N 3Å
73T91.6Very high89.1Confident68 Ų6872.1 Ų72.142%0.41738%0.38SS..EExtended strand (participates in β ladder)trans-141.9131.1-177.161.70000112.1M71 P75 I111 M112M71-T73 VanDerWaalsContact C-N 3.35Å; T73-P75 WeakPolarHBondContact O-CD 3.27Å; T73-I111 CarbonylContact C-O 3.48Å; T73-I111 WeakPolarHBondContact CA-O 3.48Å; T73-M112 HydrophobicContact CG2-CG 4.19Å
74L90.6Very high89.2Confident18 Ų1868.1 Ų68.19%0.09436%0.362CS..EExtended strand (participates in β ladder)trans-104.5108.6174.3-66.2172.3000109.9F5 I8 F67 L76 R110 I111F5-L74 HydrophobicContact CD1-CD2 4.14Å; F5-L74 HydrophobicContact CE1-CD2 4.37Å; I8-L74 HydrophobicContact CG2-CD1 4.3Å; F67-L74 HydrophobicContact CD1-CD1 3.94Å; F67-L74 HydrophobicContact CD2-CD1 3.96Å; F67-L74 HydrophobicContact CE1-CD1 3.68Å; F67-L74 HydrophobicContact CE1-CG 4.02Å; F67-L74 HydrophobicContact CE2-CD1 3.71Å; F67-L74 HydrophobicContact CE2-CG 3.86Å; F67-L74 HydrophobicContact CG-CD1 4.09Å; F67-L74 HydrophobicContact CZ-CB 4.44Å; F67-L74 HydrophobicContact CZ-CD1 3.57Å; F67-L74 HydrophobicContact CZ-CG 3.54Å; L74-L76 HydrophobicContact CB-CD2 4.37Å; L74-R110 WeakPolarHBondContact O-CA 3.34Å; L74-I111 PolarHBondContact N-O 3.34Å; L74-I111 PolarHBondContact O-N 2.72Å
75P90.2Very high89.2Confident90 Ų9064.2 Ų64.258%0.58435%0.347SS*.EExtended strand (participates in β ladder)trans-77.3123.5168.130.9-30.9000109.6T73T73-P75 WeakPolarHBondContact O-CD 3.27Å
76L87.4Confident89.3Confident23 Ų2366.5 Ų66.512%0.1236%0.362CS..EExtended strand (participates in β ladder)trans-113.5150.5-173.8-61.1176.7000111.9L9 L74 M80 L109 I111L9-L76 HydrophobicContact CD1-CD1 4.47Å; L9-L76 HydrophobicContact CD1-CD2 3.57Å; L74-L76 HydrophobicContact CB-CD2 4.37Å; L76-M80 HydrophobicContact CB-CB 4.3Å; L76-M80 HydrophobicContact CD1-CB 4.42Å; L76-M80 HydrophobicContact CD1-CE 4.46Å; L76-M80 HydrophobicContact CD1-CG 3.97Å; L76-L109 HydrophobicContact CB-CB 4.43Å; L76-L109 HydrophobicContact CD1-CD2 4.27Å; L76-L109 PolarHBondContact N-O 3.15Å; L76-I111 HydrophobicContact CD1-CD1 3.39Å; L76-I111 HydrophobicContact CD1-CG1 3.71Å
77N83.8Confident89.4Confident105 Ų10561.8 Ų61.856%0.56134%0.342SS*.  trans-77.3161.5173.8-165.8-0.6000111.1L79 M80 A81N77-L79 PolarHBondContact O-N 3.47Å; N77-L79 VanDerWaalsContact O-N 3.15Å; N77-M80 PolarHBondContact O-N 3.1Å; N77-A81 PolarHBondContact O-N 2.93Å
78N81.9Confident89.5Confident28 Ų2863.1 Ų63.115%0.1535%0.35CS..Hα-helixtrans-55-32.3-178.9-67.4-27.8000114.6M80 A81 S82 P105 K107N78-M80 PolarHBondContact O-N 2.89Å; N78-A81 WeakPolarHBondContact O-CB 3.32Å; N78-A81 PolarHBondContact O-N 2.85Å; N78-A81 VanDerWaalsContact O-N 3.16Å; N78-S82 PolarHBondContact O-N 2.82Å; N78-P105 WeakPolarHBondContact ND2-CB 3.37Å; N78-P105 PolarHBondContact ND2-O 3.37Å; N78-K107 VanDerWaalsContact OD1-CB 3.29Å; N78-K107 WeakPolarHBondContact OD1-CB 3.49Å; N78-K107 PolarHBondContact OD1-O 3.05Å
79L83.8Confident89.8Confident133 Ų13356.9 Ų56.970%0.69632%0.323SS*.Hα-helixtrans-62.4-31.3178.6-70.5170.3000112.6N77 S82N77-L79 PolarHBondContact O-N 3.47Å; N77-L79 VanDerWaalsContact O-N 3.15Å; L79-S82 PolarHBondContact O-OG 2.94Å; L79-S82 VanDerWaalsContact O-OG 3.08Å
80M85.6Confident90.3Very high18 Ų1859 Ų599%0.08933%0.327CS..Hα-helixtrans-81.3-33.2175.3-166.5118169.100111.5L9 L12 L13 L76 N77 N78 S82 K83 I84L9-M80 HydrophobicContact CD1-CE 3.27Å; L9-M80 HydrophobicContact CD1-SD 3.44Å; L9-M80 WeakPolarHBondContact CD1-SD 3.45Å; L9-M80 HydrophobicContact CD2-SD 3.75Å; L9-M80 HydrophobicContact CG-CE 3.64Å; L9-M80 HydrophobicContact CG-SD 3.53Å; L9-M80 VanDerWaalsContact CG-SD 3.53Å; L12-M80 HydrophobicContact CD2-CE 3.78Å; L13-M80 HydrophobicContact CD1-CE 3.56Å; L13-M80 HydrophobicContact CD1-SD 3.89Å; L13-M80 HydrophobicContact CD2-CE 3.83Å; L13-M80 HydrophobicContact CG-CE 3.51Å; L13-M80 HydrophobicContact CG-SD 4.49Å; L76-M80 HydrophobicContact CB-CB 4.3Å; L76-M80 HydrophobicContact CD1-CB 4.42Å; L76-M80 HydrophobicContact CD1-CE 4.46Å; L76-M80 HydrophobicContact CD1-CG 3.97Å; N77-M80 PolarHBondContact O-N 3.1Å; N78-M80 PolarHBondContact O-N 2.89Å; M80-S82 PolarHBondContact O-N 2.8Å; M80-K83 PolarHBondContact O-N 3.06Å; M80-I84 HydrophobicContact CG-CD1 4.07Å
81A86.7Confident90.8Very high9 Ų955.5 Ų55.57%0.07430%0.302CS..Hα-helixtrans-61.3-28-179.800000113.1N77 N78 K83 L109 Y119N77-A81 PolarHBondContact O-N 2.93Å; N78-A81 WeakPolarHBondContact O-CB 3.32Å; N78-A81 PolarHBondContact O-N 2.85Å; N78-A81 VanDerWaalsContact O-N 3.16Å; A81-K83 VanDerWaalsContact C-N 3.34Å; A81-L109 HydrophobicContact CB-CB 4.14Å; A81-L109 HydrophobicContact CB-CD2 4.13Å; A81-Y119 HydrophobicContact CB-CE2 4.46Å
82S87.9Confident91.2Very high87 Ų8754 Ų5461%0.60829%0.293SS*.THydrogen-bonded Turntrans-77.9-14.7174.8590000114.4N78 L79 M80N78-S82 PolarHBondContact O-N 2.82Å; L79-S82 PolarHBondContact O-OG 2.94Å; L79-S82 VanDerWaalsContact O-OG 3.08Å; M80-S82 PolarHBondContact O-N 2.8Å
83K92Very high91.5Very high122 Ų12249.5 Ų49.553%0.5327%0.269SS..THydrogen-bonded Turntrans-93-5.8178.4-64.1-173.8179.8-176.30113.2L13 N18 M80 A81L13-K83 HydrophobicContact CD1-CB 4.49Å; L13-K83 HydrophobicContact CD1-CD 3.9Å; L13-K83 HydrophobicContact CD2-CB 4.45Å; N18-K83 WeakPolarHBondContact CB-O 3.4Å; M80-K83 PolarHBondContact O-N 3.06Å; A81-K83 VanDerWaalsContact C-N 3.34Å
84I94.1Very high91.7Very high5 Ų547.6 Ų47.63%0.02626%0.263CS..SBendtrans-107.6146.4-178.8-69.9165.5000108.6L13 Y16 L65 M80 T86 L109 I111 L117L13-I84 HydrophobicContact CD2-CG1 4.33Å; Y16-I84 HydrophobicContact CE1-CB 4.49Å; L65-I84 HydrophobicContact CD1-CD1 4.19Å; L65-I84 HydrophobicContact CD1-CG1 4.23Å; L65-I84 HydrophobicContact CD1-CG2 3.71Å; M80-I84 HydrophobicContact CG-CD1 4.07Å; I84-T86 PolarHBondContact O-N 3.37Å; I84-L109 HydrophobicContact CD1-CD2 3.6Å; I84-I111 HydrophobicContact CD1-CD1 3.95Å; I84-L117 HydrophobicContact CG2-CD2 3.84Å
85W96.1Very high91.8Very high11 Ų1151.8 Ų51.84%0.04228%0.281CS..  trans-63.3129.8173.6177.691000109.7Y16 R21 P22 T29 W60 P87 Y152 V157Y16-W85 WeakPolarHBondContact OH-CB 3.34Å; Y16-W85 PolarHBondContact OH-N 2.97Å; R21-W85 HydrophobicContact CB-CD2 4.38Å; R21-W85 HydrophobicContact CB-CH2 4.37Å; R21-W85 HydrophobicContact CB-CZ2 3.67Å; P22-W85 HydrophobicContact CG-CD2 4.48Å; P22-W85 HydrophobicContact CG-CE3 3.84Å; P22-W85 HydrophobicContact CG-CZ3 4.12Å; T29-W85 HydrophobicContact CG2-CH2 4.08Å; T29-W85 HydrophobicContact CG2-CZ3 4.12Å; W60-W85 HydrophobicContact CG-CZ3 4.44Å; W60-W85 VanDerWaalsContact CZ2-O 3.32Å; W60-W85 WeakPolarHBondContact CZ2-O 3.38Å; W60-W85 AromaticContact NE1-CE3 3.86Å; W60-W85 AromaticContact NE1-CZ3 3.9Å; W85-P87 HydrophobicContact CH2-CB 3.97Å; W85-P87 HydrophobicContact CZ3-CB 4.39Å; W85-Y152 HydrophobicContact CZ2-CD2 4.35Å; W85-Y152 AromaticContact CZ2-CE2 3.74Å; W85-Y152 HydrophobicContact CZ2-CE2 3.74Å; W85-Y152 AromaticContact NE1-CE2 3.98Å; W85-Y152 AromaticContact NE1-CZ 3.81Å; W85-Y152 PolarHBondContact NE1-OH 3.46Å; W85-V157 HydrophobicContact CH2-CG2 4.42Å; W85-V157 HydrophobicContact CZ2-CG2 4.46Å
86T95.3Very high91.9Very high49 Ų4953.9 Ų53.930%0.30128%0.28SS..  trans-124.8139.917457.30000109.4W60 I84 Y119W60-T86 HydrophobicContact CH2-CG2 4.16Å; W60-T86 HydrophobicContact CZ2-CG2 4.41Å; I84-T86 PolarHBondContact O-N 3.37Å; T86-Y119 HydrophobicContact CG2-CD1 4.48Å; T86-Y119 HydrophobicContact CG2-CE1 4.29Å
87P96.5Very high92.2Very high8 Ų855.4 Ų55.45%0.05229%0.293CS..  trans-61.1140.3177.726.8-34.3000111V31 W60 W85 T89V31-P87 HydrophobicContact CG1-CG 4.12Å; V31-P87 HydrophobicContact CG2-CB 4.18Å; V31-P87 HydrophobicContact CG2-CG 4.27Å; W60-P87 HydrophobicContact CE3-CG 4.24Å; W60-P87 HydrophobicContact CZ3-CG 4.16Å; W85-P87 HydrophobicContact CH2-CB 3.97Å; W85-P87 HydrophobicContact CZ3-CB 4.39Å; P87-T89 PolarHBondContact O-N 3.43Å
88D95.6Very high92.8Very high49 Ų4953.8 Ų53.826%0.26229%0.287SS..  trans-82.855.7-176.563.6-20.1000111.9F90 S149 Y150 A151 Y152D88-F90 PolarHBondContact O-N 2.78Å; D88-S149 WeakPolarHBondContact OD1-CB 3.27Å; D88-S149 PolarHBondContact OD1-OG 2.87Å; D88-Y150 PolarHBondContact O-N 2.88Å; D88-Y150 PolarHBondContact OD2-N 2.78Å; D88-A151 VanDerWaalsContact OD2-CB 3.25Å; D88-A151 WeakPolarHBondContact OD2-CB 3.4Å; D88-A151 PolarHBondContact OD2-N 3.12Å; D88-Y152 WeakPolarHBondContact OD1-CD2 3.25Å
89T96.9Very high93.4Very high33 Ų3355.2 Ų55.220%0.20230%0.302CS..EExtended strand (participates in β ladder)trans-73.1126.8-176.8-490000111.7F56 Q58 P87 F147 G148 Y159F56-T89 HydrophobicContact CE1-CG2 3.88Å; F56-T89 HydrophobicContact CZ-CG2 3.77Å; Q58-T89 PolarHBondContact NE2-OG1 3.04Å; P87-T89 PolarHBondContact O-N 3.43Å; T89-F147 HydrophobicContact CG2-CB 4.16Å; T89-F147 HydrophobicContact CG2-CD2 3.87Å; T89-F147 HydrophobicContact CG2-CG 4.44Å; T89-G148 VanDerWaalsContact CA-O 3.31Å; T89-G148 WeakPolarHBondContact CA-O 3.35Å; T89-Y159 HydrophobicContact CG2-CE1 4.31Å; T89-Y159 WeakPolarHBondContact OG1-CE1 2.75Å; T89-Y159 PolarHBondContact OG1-OH 2.68Å
90F96.6Very high93.8Very high64 Ų6451.4 Ų51.428%0.28128%0.281SS..EExtended strand (participates in β ladder)trans-128.7160.5175.382.3-71.4000111D88 H92 F147 G148 S149 Y150D88-F90 PolarHBondContact O-N 2.78Å; F90-H92 AromaticContact CE1-CE1 3.75Å; F90-H92 AromaticContact CE1-NE2 3.96Å; F90-H92 AromaticContact CE2-ND1 3.84Å; F90-H92 AromaticContact CZ-CE1 3.31Å; F90-H92 WeakPolarHBondContact CZ-CE1 3.49Å; F90-H92 AromaticContact CZ-CG 3.99Å; F90-H92 AromaticContact CZ-ND1 3.4Å; F90-H92 WeakPolarHBondContact CZ-ND1 3.48Å; F90-H92 AromaticContact CZ-NE2 3.87Å; F90-F147 WeakPolarHBondContact O-CA 3.43Å; F90-F147 WeakPolarHBondContact O-CB 3.4Å; F90-G148 WeakPolarHBondContact CD1-O 3.19Å; F90-G148 PolarHBondContact N-O 2.98Å; F90-G148 PolarHBondContact O-N 2.81Å; F90-G148 VanDerWaalsContact O-N 3.09Å; F90-S149 WeakPolarHBondContact CE1-O 3.41Å; F90-Y150 AromaticContact CD1-CD2 3.95Å; F90-Y150 HydrophobicContact CD1-CD2 3.95Å; F90-Y150 HydrophobicContact CD1-CG 4.3Å; F90-Y150 HydrophobicContact CD2-CD2 4.37Å; F90-Y150 AromaticContact CE1-CD2 3.84Å; F90-Y150 HydrophobicContact CE1-CD2 3.84Å; F90-Y150 HydrophobicContact CE1-CG 4.37Å; F90-Y150 HydrophobicContact CE2-CD2 4.25Å; F90-Y150 HydrophobicContact CG-CD2 4.21Å; F90-Y150 AromaticContact CZ-CD2 3.98Å; F90-Y150 HydrophobicContact CZ-CD2 3.98Å
91F97.4Very high94Very high26 Ų2656 Ų5611%0.11431%0.306CS..EExtended strand (participates in β ladder)trans-93.6120.7175.5-62.2-83.1000109.7F56 N93 G94 L123 V125 L145 K146 F147F56-F91 HydrophobicContact CD2-CZ 4.49Å; F91-N93 PolarHBondContact O-N 2.79Å; F91-G94 PolarHBondContact O-N 2.97Å; F91-L123 HydrophobicContact CE2-CD1 3.71Å; F91-L123 HydrophobicContact CZ-CD1 3.96Å; F91-V125 HydrophobicContact CD1-CG1 4.22Å; F91-V125 HydrophobicContact CD2-CG1 4.16Å; F91-V125 HydrophobicContact CD2-CG2 4.07Å; F91-V125 HydrophobicContact CE1-CG2 4.21Å; F91-V125 HydrophobicContact CE2-CG2 3.62Å; F91-V125 HydrophobicContact CG-CG1 4.03Å; F91-V125 HydrophobicContact CZ-CG2 3.7Å; F91-L145 HydrophobicContact CD1-CD1 3.67Å; F91-L145 HydrophobicContact CD1-CG 4.17Å; F91-L145 HydrophobicContact CE1-CD1 3.93Å; F91-L145 HydrophobicContact CE1-CD2 4.29Å; F91-L145 HydrophobicContact CE1-CG 4.17Å; F91-K146 CarbonylContact C-O 3.54Å; F91-K146 VanDerWaalsContact CA-O 3.27Å; F91-K146 WeakPolarHBondContact CA-O 3.5Å; F91-F147 HydrophobicContact CD1-CB 3.77Å; F91-F147 HydrophobicContact CE1-CB 3.98Å; F91-F147 HydrophobicContact CE1-CD1 4.22Å; F91-F147 HydrophobicContact CE1-CG 4.36Å; F91-F147 HydrophobicContact CG-CB 4.47Å
92H95.7Very high93.9Very high70 Ų7062.7 Ų62.732%0.32434%0.338SS..THydrogen-bonded Turntrans-65.8-39.3-177.4-71.3-90.4000112.4F90 K146 V202F90-H92 AromaticContact CE1-CE1 3.75Å; F90-H92 AromaticContact CE1-NE2 3.96Å; F90-H92 AromaticContact CE2-ND1 3.84Å; F90-H92 AromaticContact CZ-CE1 3.31Å; F90-H92 WeakPolarHBondContact CZ-CE1 3.49Å; F90-H92 AromaticContact CZ-CG 3.99Å; F90-H92 AromaticContact CZ-ND1 3.4Å; F90-H92 WeakPolarHBondContact CZ-ND1 3.48Å; F90-H92 AromaticContact CZ-NE2 3.87Å; H92-K146 HydrophobicContact CB-CB 4.05Å; H92-K146 PolarHBondContact N-O 3.36Å; H92-V202 VanDerWaalsContact NE2-CG2 3.34Å; H92-V202 WeakPolarHBondContact NE2-CG2 3.27Å
93N96.1Very high93.8Very high24 Ų2464.5 Ų64.513%0.12835%0.345CS..THydrogen-bonded Turntrans-102.116.4178.467.5-41.1000112.5F91 K95 A127 E128 P144 K146F91-N93 PolarHBondContact O-N 2.79Å; N93-K95 PolarHBondContact O-N 3.44Å; N93-A127 CarbonylContact O-C 3.56Å; N93-A127 VanDerWaalsContact O-CA 3.29Å; N93-A127 WeakPolarHBondContact O-CA 3.37Å; N93-E128 HydrophobicContact CB-CB 4.39Å; N93-E128 PolarHBondContact ND2-O 2.84Å; N93-E128 PolarHBondContact O-N 2.93Å; N93-P144 PolarHBondContact ND2-O 3.23Å; N93-K146 PolarHBondContact OD1-N 3.4Å
94G94.7Very high93.5Very high28 Ų2865 Ų6529%0.28935%0.351SS..EExtended strand (participates in β ladder)trans-77.4116.317500000110.5F91F91-G94 PolarHBondContact O-N 2.97Å
95K93.1Very high93.2Very high105 Ų10567.5 Ų67.546%0.45737%0.367SS..EExtended strand (participates in β ladder)trans-77.9-46172.4-72-179.5176.3175.80110.8D47 E49 N93 Q126D47-K95 PolarHBondContact O-NZ 3.21Å; E49-K95 WeakPolarHBondContact OE2-CD 3.32Å; E49-K95 IonicContact OE2-NZ 2.97Å; N93-K95 PolarHBondContact O-N 3.44Å; K95-Q126 PolarHBondContact N-O 2.98Å
96K93.7Very high92.8Very high134 Ų13469.4 Ų69.458%0.58338%0.379SS*.EExtended strand (participates in β ladder)trans-144.1141.6178.4-171.7174.5-179.9178.90108.7Q126K96-Q126 HydrophobicContact CB-CB 4.32Å; K96-Q126 PolarHBondContact N-O 2.88Å; K96-Q126 WeakPolarHBondContact O-CA 3.26Å; K96-Q126 VanDerWaalsContact O-CB 3.24Å; K96-Q126 WeakPolarHBondContact O-CB 3.35Å; K96-Q126 PolarHBondContact O-N 2.97Å
97S93.6Very high92.5Very high55 Ų5571.4 Ų71.439%0.38538%0.383SS..EExtended strand (participates in β ladder)trans-144.8141.1176.8-62.10000109.5T124S97-T124 CarbonylContact C-O 3.39Å; S97-T124 VanDerWaalsContact CA-O 3.31Å; S97-T124 WeakPolarHBondContact CA-O 3.45Å
98V95.1Very high92.2Very high71 Ų7173.9 Ų73.943%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-121.3122.9-177.5-178.60000108.5L123 T124V98-L123 WeakPolarHBondContact O-CA 3.35Å; V98-T124 PolarHBondContact N-O 3.37Å; V98-T124 PolarHBondContact O-N 2.86Å
99A94.3Very high92.1Very high58 Ų5871.6 Ų71.648%0.47938%0.383SS..EExtended strand (participates in β ladder)trans-86.5121.516600000108.9L123A99-L123 HydrophobicContact CB-CD2 3.71Å
100H92.3Very high92Very high54 Ų5475.4 Ų75.425%0.2539%0.394CS..  trans-69.7138.2-177.4-69.7-81.3000111.6N106 R122 T124H100-N106 HydrophobicContact CB-CB 4.35Å; H100-N106 PolarHBondContact O-N 2.84Å; H100-N106 PolarHBondContact O-OD1 2.79Å; H100-R122 PolarHBondContact N-O 3.3Å; H100-T124 PolarHBondContact CE1-OG1 2.7Å; H100-T124 PolarHBondContact NE2-OG1 2.98Å
101N90.8Very high91.9Very high115 Ų11572.4 Ų72.462%0.61538%0.381SS*.  trans-131.123.7-174.568.4-14.4000115.4M104N101-M104 CarbonylContact C-O 3.59Å; N101-M104 CarbonylContact O-C 3.58Å
102M84.8Confident91.9Very high149 Ų14974.6 Ų74.673%0.73439%0.392SS*.SBendtrans-116.5129.7-173.9-171.265.674.400112M104 N106M102-M104 VanDerWaalsContact C-N 3.33Å; M102-N106 PolarHBondContact N-OD1 3.15Å; M102-N106 PolarHBondContact O-OD1 3.16Å
103T86Confident91.8Very high125 Ų12574.4 Ų74.477%0.76739%0.392SS*.SBendcis-78.3-13.2-11.750.40000113.3
104M85.1Confident91.7Very high131 Ų13177.5 Ų77.565%0.64541%0.408SS*.SBendtrans-128.5158.5171.9-72.7-7315600108N101 M102 N106N101-M104 CarbonylContact C-O 3.59Å; N101-M104 CarbonylContact O-C 3.58Å; M102-M104 VanDerWaalsContact C-N 3.33Å; M104-N106 PolarHBondContact O-N 3.21Å; M104-N106 PolarHBondContact O-OD1 3.46Å; M104-N106 VanDerWaalsContact O-OD1 3.06Å
105P87.4Confident91.7Very high58 Ų5876.2 Ų76.238%0.37739%0.394SS..  trans-49.2125.8173.7-24.431.9000111.7N78 K107N78-P105 WeakPolarHBondContact ND2-CB 3.37Å; N78-P105 PolarHBondContact ND2-O 3.37Å; P105-K107 PolarHBondContact O-N 3.34Å
106N87Confident91.8Very high52 Ų5272.4 Ų72.428%0.27838%0.38SS..  trans-80.759.4-176-63.962000110.3H100 M102 M104 M121 R122H100-N106 HydrophobicContact CB-CB 4.35Å; H100-N106 PolarHBondContact O-N 2.84Å; H100-N106 PolarHBondContact O-OD1 2.79Å; M102-N106 PolarHBondContact N-OD1 3.15Å; M102-N106 PolarHBondContact O-OD1 3.16Å; M104-N106 PolarHBondContact O-N 3.21Å; M104-N106 PolarHBondContact O-OD1 3.46Å; M104-N106 VanDerWaalsContact O-OD1 3.06Å; N106-M121 WeakPolarHBondContact O-CA 3.44Å; N106-R122 HydrophobicContact CB-CB 3.88Å; N106-R122 PolarHBondContact O-N 2.87Å; N106-R122 VanDerWaalsContact O-N 3.15Å
107K90.2Very high91.9Very high91 Ų9166 Ų6640%0.39635%0.352SS..EExtended strand (participates in β ladder)trans-116.7144.3174.9-65.8172.5176.1-170.50107.9N78 P105 Y119 T120 M121N78-K107 VanDerWaalsContact OD1-CB 3.29Å; N78-K107 WeakPolarHBondContact OD1-CB 3.49Å; N78-K107 PolarHBondContact OD1-O 3.05Å; P105-K107 PolarHBondContact O-N 3.34Å; K107-Y119 HydrophobicContact CB-CE2 4.11Å; K107-Y119 HydrophobicContact CD-CE2 4.3Å; K107-Y119 VanDerWaalsContact CD-OH 3.31Å; K107-Y119 WeakPolarHBondContact CD-OH 3.27Å; K107-Y119 WeakPolarHBondContact CE-OH 3.42Å; K107-Y119 HydrophobicContact CG-CE2 4.29Å; K107-Y119 PolarHBondContact NZ-OH 2.71Å; K107-T120 VanDerWaalsContact CA-O 3.32Å; K107-T120 WeakPolarHBondContact CA-O 3.32Å; K107-M121 HydrophobicContact CG-CB 4.32Å
108L90.2Very high92Very high60 Ų6065.8 Ų65.831%0.31435%0.347SS..EExtended strand (participates in β ladder)trans-138.9127.1173.9164.973.5000107.4R110 Y119 T120L108-R110 HydrophobicContact CD1-CG 4.31Å; L108-R110 HydrophobicContact CG-CG 4.32Å; L108-Y119 WeakPolarHBondContact O-CA 3.45Å; L108-T120 HydrophobicContact CB-CG2 3.59Å; L108-T120 HydrophobicContact CD2-CG2 3.94Å; L108-T120 HydrophobicContact CG-CG2 4.12Å; L108-T120 PolarHBondContact N-O 3.07Å; L108-T120 PolarHBondContact O-N 3.08Å
109L93.9Very high92Very high0 Ų063 Ų630%033%0.328CS..EExtended strand (participates in β ladder)trans-113.2128.7173.8-173.166.7000108.8L76 A81 I84 L117 L118 Y119L76-L109 HydrophobicContact CB-CB 4.43Å; L76-L109 HydrophobicContact CD1-CD2 4.27Å; L76-L109 PolarHBondContact N-O 3.15Å; A81-L109 HydrophobicContact CB-CB 4.14Å; A81-L109 HydrophobicContact CB-CD2 4.13Å; I84-L109 HydrophobicContact CD1-CD2 3.6Å; L109-L117 HydrophobicContact CD1-CB 4.38Å; L109-L117 HydrophobicContact CD1-CD2 3.95Å; L109-L117 HydrophobicContact CD2-CD2 4.42Å; L109-L118 CarbonylContact C-O 3.56Å; L109-L118 WeakPolarHBondContact CA-O 3.4Å; L109-Y119 HydrophobicContact CD1-CD2 4.12Å; L109-Y119 HydrophobicContact CD1-CG 4.44Å
110R94.5Very high92.1Very high114 Ų11461.2 Ų61.243%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-121.3131.1169.7-61.3-174.9177.3-165-0.5109L74 L108 L117 L118L74-R110 WeakPolarHBondContact O-CA 3.34Å; L108-R110 HydrophobicContact CD1-CG 4.31Å; L108-R110 HydrophobicContact CG-CG 4.32Å; R110-L117 CarbonylContact O-C 3.59Å; R110-L117 WeakPolarHBondContact O-CA 3.36Å; R110-L118 HydrophobicContact CB-CB 4.34Å; R110-L118 PolarHBondContact N-O 2.74Å; R110-L118 PolarHBondContact O-N 2.9Å
111I95.1Very high92.1Very high0 Ų060.2 Ų60.20%031%0.307CS..EExtended strand (participates in β ladder)trans-107.1123.5173.5-52.2-175.5000107.6L12 L65 F67 T73 L74 L76 I84 L117L12-I111 HydrophobicContact CD2-CD1 4.05Å; L65-I111 HydrophobicContact CB-CG2 4.38Å; F67-I111 HydrophobicContact CD1-CG2 4.23Å; F67-I111 HydrophobicContact CE1-CB 4.41Å; F67-I111 HydrophobicContact CE1-CG2 3.97Å; T73-I111 CarbonylContact C-O 3.48Å; T73-I111 WeakPolarHBondContact CA-O 3.48Å; L74-I111 PolarHBondContact N-O 3.34Å; L74-I111 PolarHBondContact O-N 2.72Å; L76-I111 HydrophobicContact CD1-CD1 3.39Å; L76-I111 HydrophobicContact CD1-CG1 3.71Å; I84-I111 HydrophobicContact CD1-CD1 3.95Å; I111-L117 HydrophobicContact CD1-CD2 4.49Å; I111-L117 HydrophobicContact CG1-CD2 4.21Å; I111-L117 HydrophobicContact CG1-CG 4.42Å
112M95.7Very high92.3Very high73 Ų7359 Ų5936%0.3629%0.294SS..EExtended strand (participates in β ladder)trans-84.4153.6171.7-59.9-176.9178.200110N72 T73 N114 G115 T116N72-M112 CarbonylContact O-C 3.46Å; N72-M112 WeakPolarHBondContact O-CA 3.41Å; T73-M112 HydrophobicContact CG2-CG 4.19Å; M112-N114 WeakPolarHBondContact CB-OD1 3.29Å; M112-N114 PolarHBondContact O-N 3.25Å; M112-N114 VanDerWaalsContact O-N 3.11Å; M112-G115 PolarHBondContact O-N 2.9Å; M112-T116 WeakPolarHBondContact CB-O 3.45Å; M112-T116 WeakPolarHBondContact CG-O 3.39Å; M112-T116 PolarHBondContact N-O 2.86Å; M112-T116 HydrophobicContact SD-CG2 4.14Å
113E94.3Very high92.9Very high66 Ų6652.6 Ų52.631%0.30826%0.263SS..THydrogen-bonded Turntrans-52.5-36.3-179.5-165.4-176-179.200112.9F67 H68 N72 G115F67-E113 HydrophobicContact CZ-CB 4.34Å; F67-E113 WeakPolarHBondContact O-CG 3.32Å; H68-E113 IonicContact CE1-OE1 2.85Å; H68-E113 IonicContact ND1-OE1 2.96Å; H68-E113 PolarHBondContact ND1-OE1 2.84Å; N72-E113 PolarHBondContact O-N 3Å; E113-G115 PolarHBondContact O-N 3.15Å; E113-G115 VanDerWaalsContact O-N 3.17Å
114N94.1Very high93.4Very high89 Ų8947.9 Ų47.948%0.47623%0.234SC..THydrogen-bonded Turntrans-73.2-0.8178.971.1-2.1000114.9L61 K66 M112 T116L61-N114 WeakPolarHBondContact CD1-O 3.4Å; K66-N114 VanDerWaalsContact CE-O 3.29Å; K66-N114 WeakPolarHBondContact CE-O 3.41Å; K66-N114 WeakPolarHBondContact CG-O 3.32Å; M112-N114 WeakPolarHBondContact CB-OD1 3.29Å; M112-N114 PolarHBondContact O-N 3.25Å; M112-N114 VanDerWaalsContact O-N 3.11Å; N114-T116 PolarHBondContact ND2-OG1 3.17Å; N114-T116 WeakPolarHBondContact OD1-CB 3.26Å; N114-T116 PolarHBondContact OD1-N 2.97Å; N114-T116 PolarHBondContact OD1-OG1 2.81Å
115G94.3Very high93.9Very high0 Ų041.6 Ų41.60%020%0.203CC..SBendtrans86.97.1-176.200000114.3D62 M112 E113 L117D62-G115 PolarHBondContact N-O 3.11Å; D62-G115 WeakPolarHBondContact O-CA 3.5Å; M112-G115 PolarHBondContact O-N 2.9Å; E113-G115 PolarHBondContact O-N 3.15Å; E113-G115 VanDerWaalsContact O-N 3.17Å; G115-L117 VanDerWaalsContact O-CD1 3.23Å; G115-L117 WeakPolarHBondContact O-CD1 3.4Å
116T96.2Very high94.4Very high25 Ų2541.2 Ų41.215%0.15320%0.196CC..EExtended strand (participates in β ladder)trans-75.9126.7173.8-55.10000109.5S59 W60 M112 N114S59-T116 WeakPolarHBondContact OG-CG2 3.5Å; W60-T116 WeakPolarHBondContact O-CA 3.28Å; M112-T116 WeakPolarHBondContact CB-O 3.45Å; M112-T116 WeakPolarHBondContact CG-O 3.39Å; M112-T116 PolarHBondContact N-O 2.86Å; M112-T116 HydrophobicContact SD-CG2 4.14Å; N114-T116 PolarHBondContact ND2-OG1 3.17Å; N114-T116 WeakPolarHBondContact OD1-CB 3.26Å; N114-T116 PolarHBondContact OD1-N 2.97Å; N114-T116 PolarHBondContact OD1-OG1 2.81Å
117L95.8Very high94.9Very high0 Ų038.8 Ų38.80%018%0.183CC..EExtended strand (participates in β ladder)trans-97.1144.7175.2-64.195.5000110S59 W60 D62 L65 I84 L109 R110 I111 G115S59-L117 WeakPolarHBondContact CA-O 3.17Å; S59-L117 VanDerWaalsContact CB-O 3.3Å; S59-L117 WeakPolarHBondContact CB-O 3.49Å; S59-L117 PolarHBondContact OG-O 3.16Å; W60-L117 HydrophobicContact CD2-CB 4.29Å; W60-L117 HydrophobicContact CH2-CB 4.45Å; W60-L117 HydrophobicContact CZ2-CB 4.07Å; W60-L117 HydrophobicContact CZ2-CD2 4.06Å; W60-L117 HydrophobicContact CZ2-CG 4.49Å; W60-L117 PolarHBondContact N-O 3.49Å; W60-L117 PolarHBondContact O-N 3.14Å; D62-L117 HydrophobicContact CB-CD1 3.49Å; D62-L117 VanDerWaalsContact CB-CD1 3.49Å; L65-L117 HydrophobicContact CD1-CD1 4.03Å; L65-L117 HydrophobicContact CD1-CD2 3.72Å; L65-L117 HydrophobicContact CD1-CG 4.38Å; I84-L117 HydrophobicContact CG2-CD2 3.84Å; L109-L117 HydrophobicContact CD1-CB 4.38Å; L109-L117 HydrophobicContact CD1-CD2 3.95Å; L109-L117 HydrophobicContact CD2-CD2 4.42Å; R110-L117 CarbonylContact O-C 3.59Å; R110-L117 WeakPolarHBondContact O-CA 3.36Å; I111-L117 HydrophobicContact CD1-CD2 4.49Å; I111-L117 HydrophobicContact CG1-CD2 4.21Å; I111-L117 HydrophobicContact CG1-CG 4.42Å; G115-L117 VanDerWaalsContact O-CD1 3.23Å; G115-L117 WeakPolarHBondContact O-CD1 3.4Å
118L95.4Very high95.2Very high51 Ų5138.6 Ų38.627%0.26718%0.184SC..EExtended strand (participates in β ladder)trans-121.6114.6163.9175.268.3000107.6Q58 L109 R110Q58-L118 WeakPolarHBondContact O-CA 3.43Å; L109-L118 CarbonylContact C-O 3.56Å; L109-L118 WeakPolarHBondContact CA-O 3.4Å; R110-L118 HydrophobicContact CB-CB 4.34Å; R110-L118 PolarHBondContact N-O 2.74Å; R110-L118 PolarHBondContact O-N 2.9Å
119Y95.4Very high95.4Very high12 Ų1235.8 Ų35.85%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-114.3123.1176.5-178.9-125.9000108.9R57 Q58 W60 A81 T86 K107 L108 L109 M121R57-Y119 WeakPolarHBondContact CA-O 3.3Å; Q58-Y119 PolarHBondContact N-O 3.13Å; Q58-Y119 PolarHBondContact O-N 3.05Å; W60-Y119 HydrophobicContact CH2-CD1 4.32Å; W60-Y119 HydrophobicContact CH2-CG 4.19Å; W60-Y119 HydrophobicContact CZ3-CD1 4.43Å; W60-Y119 HydrophobicContact CZ3-CG 4.42Å; A81-Y119 HydrophobicContact CB-CE2 4.46Å; T86-Y119 HydrophobicContact CG2-CD1 4.48Å; T86-Y119 HydrophobicContact CG2-CE1 4.29Å; K107-Y119 HydrophobicContact CB-CE2 4.11Å; K107-Y119 HydrophobicContact CD-CE2 4.3Å; K107-Y119 VanDerWaalsContact CD-OH 3.31Å; K107-Y119 WeakPolarHBondContact CD-OH 3.27Å; K107-Y119 WeakPolarHBondContact CE-OH 3.42Å; K107-Y119 HydrophobicContact CG-CE2 4.29Å; K107-Y119 PolarHBondContact NZ-OH 2.71Å; L108-Y119 WeakPolarHBondContact O-CA 3.45Å; L109-Y119 HydrophobicContact CD1-CD2 4.12Å; L109-Y119 HydrophobicContact CD1-CG 4.44Å; Y119-M121 HydrophobicContact CD1-CE 3.89Å; Y119-M121 HydrophobicContact CE1-CE 3.09Å
120T94.6Very high95.3Very high21 Ų2139.4 Ų39.413%0.12919%0.193CC..EExtended strand (participates in β ladder)trans-125.4142.9177.4-1750000110F56 R57 K107 L108F56-T120 CarbonylContact O-C 3.46Å; F56-T120 VanDerWaalsContact O-CA 3.32Å; F56-T120 WeakPolarHBondContact O-CA 3.42Å; R57-T120 WeakPolarHBondContact CG-OG1 3.48Å; K107-T120 VanDerWaalsContact CA-O 3.32Å; K107-T120 WeakPolarHBondContact CA-O 3.32Å; L108-T120 HydrophobicContact CB-CG2 3.59Å; L108-T120 HydrophobicContact CD2-CG2 3.94Å; L108-T120 HydrophobicContact CG-CG2 4.12Å; L108-T120 PolarHBondContact N-O 3.07Å; L108-T120 PolarHBondContact O-N 3.08Å
121M93.8Very high95.2Very high32 Ų3234.3 Ų34.316%0.15817%0.174CC..EExtended strand (participates in β ladder)trans-136.5147.317559.6178.579.800110.7F55 F56 N106 K107 Y119 L123F55-M121 WeakPolarHBondContact CA-O 3.4Å; F56-M121 HydrophobicContact CB-CG 3.92Å; F56-M121 HydrophobicContact CD1-CG 4.35Å; F56-M121 HydrophobicContact CD1-SD 4.4Å; F56-M121 PolarHBondContact N-O 2.73Å; F56-M121 PolarHBondContact O-N 3.31Å; N106-M121 WeakPolarHBondContact O-CA 3.44Å; K107-M121 HydrophobicContact CG-CB 4.32Å; Y119-M121 HydrophobicContact CD1-CE 3.89Å; Y119-M121 HydrophobicContact CE1-CE 3.09Å; M121-L123 HydrophobicContact CG-CD1 4.07Å; M121-L123 HydrophobicContact CG-CD2 4.13Å; M121-L123 HydrophobicContact CG-CG 3.87Å; M121-L123 HydrophobicContact SD-CD1 3.65Å; M121-L123 HydrophobicContact SD-CD2 3.73Å; M121-L123 HydrophobicContact SD-CG 3.85Å
122R95.1Very high95Very high90 Ų9040.9 Ų40.934%0.3420%0.204SC..EExtended strand (participates in β ladder)trans-94.1120.4169.9-171.5-176169180-2.8109.7V54 F55 H100 N106V54-R122 WeakPolarHBondContact O-CA 3.32Å; F55-R122 HydrophobicContact CD1-CB 3.92Å; F55-R122 HydrophobicContact CD1-CG 4.21Å; F55-R122 HydrophobicContact CE1-CB 3.73Å; F55-R122 HydrophobicContact CE1-CG 3.89Å; F55-R122 HydrophobicContact CZ-CG 4.41Å; H100-R122 PolarHBondContact N-O 3.3Å; N106-R122 HydrophobicContact CB-CB 3.88Å; N106-R122 PolarHBondContact O-N 2.87Å; N106-R122 VanDerWaalsContact O-N 3.15Å
123L96Very high94.8Very high14 Ų1437.4 Ų37.47%0.07319%0.187CC..EExtended strand (participates in β ladder)trans-123.8144.9-178.9-58.4179.2000110.8D53 V54 F56 F91 V98 A99 M121 V125D53-L123 WeakPolarHBondContact CA-O 3.48Å; V54-L123 HydrophobicContact CG2-CB 3.99Å; V54-L123 PolarHBondContact N-O 2.85Å; V54-L123 PolarHBondContact O-N 2.95Å; F56-L123 HydrophobicContact CB-CD1 4.12Å; F91-L123 HydrophobicContact CE2-CD1 3.71Å; F91-L123 HydrophobicContact CZ-CD1 3.96Å; V98-L123 WeakPolarHBondContact O-CA 3.35Å; A99-L123 HydrophobicContact CB-CD2 3.71Å; M121-L123 HydrophobicContact CG-CD1 4.07Å; M121-L123 HydrophobicContact CG-CD2 4.13Å; M121-L123 HydrophobicContact CG-CG 3.87Å; M121-L123 HydrophobicContact SD-CD1 3.65Å; M121-L123 HydrophobicContact SD-CD2 3.73Å; M121-L123 HydrophobicContact SD-CG 3.85Å; L123-V125 HydrophobicContact CB-CG2 4.07Å
124T96.4Very high94.7Very high26 Ų2638.8 Ų38.816%0.1619%0.194CC..EExtended strand (participates in β ladder)trans-105.2118.6157.8-63.40000107.4T51 V52 D53 S97 V98 H100T51-T124 HydrophobicContact CG2-CG2 3.5Å; V52-T124 WeakPolarHBondContact O-CA 3.44Å; D53-T124 VanDerWaalsContact OD1-CB 3.3Å; D53-T124 WeakPolarHBondContact OD1-CB 3.33Å; D53-T124 VanDerWaalsContact OD1-CG2 3.3Å; D53-T124 WeakPolarHBondContact OD1-CG2 3.31Å; D53-T124 PolarHBondContact OD1-OG1 2.87Å; S97-T124 CarbonylContact C-O 3.39Å; S97-T124 VanDerWaalsContact CA-O 3.31Å; S97-T124 WeakPolarHBondContact CA-O 3.45Å; V98-T124 PolarHBondContact N-O 3.37Å; V98-T124 PolarHBondContact O-N 2.86Å; H100-T124 PolarHBondContact CE1-OG1 2.7Å; H100-T124 PolarHBondContact NE2-OG1 2.98Å
125V97Very high94.6Very high0 Ų035.7 Ų35.70%018%0.177CC..EExtended strand (participates in β ladder)trans-111.8122.5-177.6-177.50000108.5T51 V52 V54 F91 L123 A127 L145T51-V125 CarbonylContact C-O 3.42Å; T51-V125 WeakPolarHBondContact CA-O 3.35Å; V52-V125 HydrophobicContact CG1-CB 4Å; V52-V125 PolarHBondContact N-O 3.2Å; V52-V125 PolarHBondContact O-N 2.94Å; V54-V125 HydrophobicContact CG2-CG2 4.43Å; F91-V125 HydrophobicContact CD1-CG1 4.22Å; F91-V125 HydrophobicContact CD2-CG1 4.16Å; F91-V125 HydrophobicContact CD2-CG2 4.07Å; F91-V125 HydrophobicContact CE1-CG2 4.21Å; F91-V125 HydrophobicContact CE2-CG2 3.62Å; F91-V125 HydrophobicContact CG-CG1 4.03Å; F91-V125 HydrophobicContact CZ-CG2 3.7Å; L123-V125 HydrophobicContact CB-CG2 4.07Å; V125-A127 HydrophobicContact CG1-CB 4.21Å; V125-L145 HydrophobicContact CG1-CD1 3.98Å
126Q97.2Very high94.6Very high50 Ų5035.8 Ų35.823%0.23418%0.177CC..EExtended strand (participates in β ladder)trans-99.4103.1169.6-173.5-179.6-10.700107.1E49 Y50 K95 K96E49-Q126 PolarHBondContact OE1-NE2 3.22Å; E49-Q126 PolarHBondContact OE2-NE2 3.17Å; Y50-Q126 WeakPolarHBondContact O-CA 3.39Å; K95-Q126 PolarHBondContact N-O 2.98Å; K96-Q126 HydrophobicContact CB-CB 4.32Å; K96-Q126 PolarHBondContact N-O 2.88Å; K96-Q126 WeakPolarHBondContact O-CA 3.26Å; K96-Q126 VanDerWaalsContact O-CB 3.24Å; K96-Q126 WeakPolarHBondContact O-CB 3.35Å; K96-Q126 PolarHBondContact O-N 2.97Å
127A96.8Very high94.4Very high0 Ų034.6 Ų34.60%017%0.17CC..EExtended strand (participates in β ladder)trans-110.7145.4-173.500000111.1E49 Y50 N93 V125 L145E49-A127 CarbonylContact C-O 3.57Å; E49-A127 VanDerWaalsContact CA-O 3.26Å; E49-A127 WeakPolarHBondContact CA-O 3.24Å; E49-A127 WeakPolarHBondContact CB-O 3.43Å; Y50-A127 HydrophobicContact CD1-CB 4.36Å; Y50-A127 VanDerWaalsContact CD1-O 3.3Å; Y50-A127 WeakPolarHBondContact CD1-O 3.48Å; Y50-A127 HydrophobicContact CE1-CB 3.67Å; Y50-A127 HydrophobicContact CE2-CB 4.38Å; Y50-A127 PolarHBondContact N-O 2.86Å; Y50-A127 PolarHBondContact O-N 2.87Å; N93-A127 CarbonylContact O-C 3.56Å; N93-A127 VanDerWaalsContact O-CA 3.29Å; N93-A127 WeakPolarHBondContact O-CA 3.37Å; V125-A127 HydrophobicContact CG1-CB 4.21Å; A127-L145 HydrophobicContact CB-CD1 4.19Å
128E96.7Very high94.3Very high88 Ų8835.9 Ų35.941%0.41118%0.176SC..EExtended strand (participates in β ladder)trans-72.4134.4174.3-171.8177.117300110.6N93N93-E128 HydrophobicContact CB-CB 4.39Å; N93-E128 PolarHBondContact ND2-O 2.84Å; N93-E128 PolarHBondContact O-N 2.93Å
129C95.8Very high94.1Very high0 Ų033.7 Ų33.70%017%0.165CC..  trans-126.8104172.3177.60000108.9M48 Y50 M131 C143M48-C129 CarbonylContact C-O 3.59Å; M48-C129 PolarHBondContact O-N 3.49Å; Y50-C129 HydrophobicContact CD1-CB 3.64Å; Y50-C129 HydrophobicContact CE1-CB 3.97Å; C129-M131 HydrophobicContact CB-CE 4.21Å; C129-M131 PolarHBondContact O-N 3.37Å; C129-C143 HydrophobicContact CB-CB 3.68Å; C129-C143 WeakPolarHBondContact CB-SG 3.39Å; C129-C143 WeakPolarHBondContact SG-CA 3.42Å; C129-C143 WeakPolarHBondContact SG-CB 3.46Å; C129-C143 CovalentContact SG-SG 2.04Å; C129-C143 PolarHBondContact SG-SG 3.26Å
130P92.1Very high93.9Very high77 Ų7736.2 Ų36.250%0.518%0.184SC..  trans-67.2119.117527.6-32.5000109.3
131M90.8Very high93.8Very high7 Ų735.9 Ų35.93%0.03418%0.181CC..  trans-108.4137.3-178.2-63.9176.1-165.100111.1V43 C129 L133V43-M131 HydrophobicContact CG1-CE 3.36Å; C129-M131 HydrophobicContact CB-CE 4.21Å; C129-M131 PolarHBondContact O-N 3.37Å; M131-L133 HydrophobicContact CB-CD2 4.17Å; M131-L133 HydrophobicContact CB-CG 4.36Å
132H91Very high93.8Very high137 Ų13736.8 Ų36.863%0.63419%0.19SC*.  trans-101.1108.8169.3-62.6-73.4000108.5H141H132-H141 PolarHBondContact O-CE1 3.23Å
133L92.3Very high93.9Very high0 Ų032.5 Ų32.50%017%0.174CC..  trans-98.420.1-172.5-60.3175.5000112.5M131 D135 F136 D139 L267 P268 V270 Y272 T274M131-L133 HydrophobicContact CB-CD2 4.17Å; M131-L133 HydrophobicContact CB-CG 4.36Å; L133-D135 VanDerWaalsContact C-N 3.27Å; L133-D135 PolarHBondContact O-N 2.87Å; L133-F136 HydrophobicContact CB-CB 4.25Å; L133-F136 HydrophobicContact CD2-CD2 4.32Å; L133-F136 VanDerWaalsContact O-CB 3.26Å; L133-F136 WeakPolarHBondContact O-CB 3.17Å; L133-F136 PolarHBondContact O-N 2.84Å; L133-F136 VanDerWaalsContact O-N 3.16Å; L133-D139 WeakPolarHBondContact CD2-OD2 3.29Å; L133-L267 HydrophobicContact CD1-CD1 4.44Å; L133-P268 HydrophobicContact CD1-CG 3.33Å; L133-V270 HydrophobicContact CD1-CG1 4.05Å; L133-Y272 HydrophobicContact CB-CE2 4.28Å; L133-Y272 PolarHBondContact N-OH 2.91Å; L133-T274 VanDerWaalsContact O-CG2 3.26Å; L133-T274 WeakPolarHBondContact O-CG2 3.38Å
134E91.6Very high93.9Very high96 Ų9632.5 Ų32.545%0.44918%0.175SC..THydrogen-bonded Turntrans-57.6-43180-66-179-170.500111.4F136 Y272 T274 A275E134-F136 VanDerWaalsContact C-N 3.33Å; E134-F136 PolarHBondContact O-N 2.73Å; E134-Y272 HydrophobicContact CG-CD2 4.13Å; E134-Y272 HydrophobicContact CG-CE2 3.97Å; E134-T274 CarbonylContact O-C 3.43Å; E134-A275 PolarHBondContact O-N 2.92Å
135D92.7Very high93.9Very high23 Ų2331.3 Ų31.312%0.12317%0.168CC..THydrogen-bonded Turntrans-92.516.1-179.4-67.4-41.8000113L133 M138 D139 Y402 R405L133-D135 VanDerWaalsContact C-N 3.27Å; L133-D135 PolarHBondContact O-N 2.87Å; D135-M138 CarbonylContact O-C 3.52Å; D135-M138 WeakPolarHBondContact O-CA 3.42Å; D135-M138 PolarHBondContact O-N 3.48Å; D135-D139 HydrophobicContact CB-CB 4.46Å; D135-Y402 WeakPolarHBondContact OD1-CD1 3.37Å; D135-Y402 WeakPolarHBondContact OD1-CE1 3.49Å; D135-R405 VanDerWaalsContact CG-NH1 3.33Å; D135-R405 IonicContact OD1-CZ 3.6Å; D135-R405 IonicContact OD1-NH1 3.59Å; D135-R405 PolarHBondContact OD1-NH1 3.02Å; D135-R405 WeakPolarHBondContact OD2-CD 3.49Å; D135-R405 IonicContact OD2-CZ 3.7Å; D135-R405 IonicContact OD2-NE 3.5Å; D135-R405 IonicContact OD2-NH1 2.88Å; D135-R405 PolarHBondContact OD2-NH1 2.96Å; D135-R405 VanDerWaalsContact OD2-NH1 3.15Å
136F93Very high93.8Very high3 Ų333.7 Ų33.71%0.01318%0.178CC..THydrogen-bonded Turntrans-57.4132.3-178.6178.3-87.8000111.9L133 E134 F216 L267 T274 M276L133-F136 HydrophobicContact CB-CB 4.25Å; L133-F136 HydrophobicContact CD2-CD2 4.32Å; L133-F136 VanDerWaalsContact O-CB 3.26Å; L133-F136 WeakPolarHBondContact O-CB 3.17Å; L133-F136 PolarHBondContact O-N 2.84Å; L133-F136 VanDerWaalsContact O-N 3.16Å; E134-F136 VanDerWaalsContact C-N 3.33Å; E134-F136 PolarHBondContact O-N 2.73Å; F136-F216 HydrophobicContact CE1-CD1 4.27Å; F136-F216 AromaticContact CE1-CE1 3.88Å; F136-F216 HydrophobicContact CE1-CE1 3.88Å; F136-F216 HydrophobicContact CE1-CZ 4.28Å; F136-F216 HydrophobicContact CE2-CE1 4.38Å; F136-F216 HydrophobicContact CE2-CZ 4Å; F136-F216 HydrophobicContact CZ-CD1 4.18Å; F136-F216 AromaticContact CZ-CE1 3.38Å; F136-F216 HydrophobicContact CZ-CE1 3.38Å; F136-F216 HydrophobicContact CZ-CE2 4.28Å; F136-F216 AromaticContact CZ-CZ 3.43Å; F136-F216 HydrophobicContact CZ-CZ 3.43Å; F136-F216 VanDerWaalsContact CZ-CZ 3.43Å; F136-L267 HydrophobicContact CB-CD1 4.49Å; F136-L267 HydrophobicContact CD1-CD1 3.63Å; F136-L267 HydrophobicContact CD2-CD1 3.58Å; F136-L267 HydrophobicContact CE1-CD1 3.58Å; F136-L267 HydrophobicContact CE2-CD1 3.49Å; F136-L267 VanDerWaalsContact CE2-CD1 3.49Å; F136-L267 HydrophobicContact CG-CD1 3.62Å; F136-L267 HydrophobicContact CZ-CD1 3.48Å; F136-L267 VanDerWaalsContact CZ-CD1 3.48Å; F136-T274 HydrophobicContact CB-CG2 4.25Å; F136-M276 HydrophobicContact CD1-CB 4.12Å; F136-M276 HydrophobicContact CD1-CE 3.97Å; F136-M276 HydrophobicContact CD1-SD 4.25Å; F136-M276 HydrophobicContact CE1-CE 3.63Å; F136-M276 HydrophobicContact CE1-SD 3.8Å; F136-M276 PolarHBondContact O-N 3.17Å; F136-M276 VanDerWaalsContact O-N 3.12Å
137P93.3Very high93.8Very high0 Ų031.3 Ų31.30%017%0.167CC..THydrogen-bonded Turncis-100.719.9334-27.1000114.8D139 I213 F216 Y221P137-D139 VanDerWaalsContact C-N 3.26Å; P137-D139 PolarHBondContact O-N 2.89Å; P137-I213 HydrophobicContact CB-CD1 4.26Å; P137-I213 HydrophobicContact CG-CD1 3.54Å; P137-F216 HydrophobicContact CB-CB 4.4Å; P137-F216 HydrophobicContact CB-CD1 4.33Å; P137-F216 HydrophobicContact CB-CD2 3.44Å; P137-F216 VanDerWaalsContact CB-CD2 3.44Å; P137-F216 HydrophobicContact CB-CE2 3.69Å; P137-F216 HydrophobicContact CB-CG 3.79Å; P137-F216 HydrophobicContact CB-CZ 4.24Å; P137-F216 HydrophobicContact CG-CB 3.73Å; P137-F216 HydrophobicContact CG-CD1 4.25Å; P137-F216 HydrophobicContact CG-CD2 3.75Å; P137-F216 HydrophobicContact CG-CE2 4.45Å; P137-F216 HydrophobicContact CG-CG 3.63Å; P137-Y221 VanDerWaalsContact CD-OH 3.27Å; P137-Y221 WeakPolarHBondContact CD-OH 3.38Å; P137-Y221 HydrophobicContact CG-CE2 4.13Å
138M92.9Very high93.8Very high26 Ų2631.3 Ų31.313%0.12817%0.167CC..SBendtrans-95.533.2177.7-70.5161.2-100.600111.4D135 I213 Y221 Y398 W399 L403D135-M138 CarbonylContact O-C 3.52Å; D135-M138 WeakPolarHBondContact O-CA 3.42Å; D135-M138 PolarHBondContact O-N 3.48Å; M138-I213 HydrophobicContact CE-CD1 4.35Å; M138-I213 HydrophobicContact CG-CD1 3.86Å; M138-I213 HydrophobicContact CG-CG1 4.3Å; M138-Y221 WeakPolarHBondContact CE-OH 3.34Å; M138-Y398 HydrophobicContact CE-CE1 3.92Å; M138-W399 HydrophobicContact CE-CE3 4.46Å; M138-W399 HydrophobicContact CE-CZ3 3.91Å; M138-W399 HydrophobicContact SD-CE3 4.17Å; M138-W399 HydrophobicContact SD-CZ3 3.94Å; M138-L403 HydrophobicContact CG-CD2 4.16Å; M138-L403 HydrophobicContact SD-CD2 3.79Å; M138-L403 HydrophobicContact SD-CG 4.26Å
139D91.8Very high93.9Very high5 Ų527.3 Ų27.33%0.02715%0.149CC..  trans-93.2159.7-173.251.4-0.6000113L133 D135 P137 H141 R211L133-D139 WeakPolarHBondContact CD2-OD2 3.29Å; D135-D139 HydrophobicContact CB-CB 4.46Å; P137-D139 VanDerWaalsContact C-N 3.26Å; P137-D139 PolarHBondContact O-N 2.89Å; D139-H141 IonicContact OD2-CE1 3.41Å; D139-H141 PolarHBondContact OD2-CE1 3.27Å; D139-H141 VanDerWaalsContact OD2-CE1 3.24Å; D139-H141 IonicContact OD2-NE2 2.74Å; D139-H141 PolarHBondContact OD2-NE2 3.06Å; D139-H141 VanDerWaalsContact OD2-NE2 3.12Å; D139-R211 PolarHBondContact O-N 3.15Å; D139-R211 VanDerWaalsContact OD1-CB 3.28Å; D139-R211 WeakPolarHBondContact OD1-CB 3.15Å; D139-R211 WeakPolarHBondContact OD1-CD 3.5Å; D139-R211 IonicContact OD1-CZ 3.99Å; D139-R211 IonicContact OD1-NE 3.81Å; D139-R211 PolarHBondContact OD1-NE 3.19Å; D139-R211 IonicContact OD2-NE 3.39Å; D139-R211 IonicContact OD2-NH2 2.87Å
140S91.4Very high93.8Very high65 Ų6535.1 Ų35.146%0.45518%0.18SC..EExtended strand (participates in β ladder)trans-135.4138.6170.7-64.60000108.5L209S140-L209 WeakPolarHBondContact CA-O 3.35Å
141H92.4Very high94Very high15 Ų1534.1 Ų34.17%0.06918%0.178CC..EExtended strand (participates in β ladder)trans-128149.1-174.6-51.1-48.1000110.7H132 D139 Y181 H208 L209H132-H141 PolarHBondContact O-CE1 3.23Å; D139-H141 IonicContact OD2-CE1 3.41Å; D139-H141 PolarHBondContact OD2-CE1 3.27Å; D139-H141 VanDerWaalsContact OD2-CE1 3.24Å; D139-H141 IonicContact OD2-NE2 2.74Å; D139-H141 PolarHBondContact OD2-NE2 3.06Å; D139-H141 VanDerWaalsContact OD2-NE2 3.12Å; H141-Y181 AromaticContact CD2-CE1 3.82Å; H141-Y181 PolarHBondContact CD2-OH 3.4Å; H141-H208 WeakPolarHBondContact O-CA 3.1Å; H141-L209 PolarHBondContact N-O 3.18Å; H141-L209 PolarHBondContact O-N 3.46Å
142S94.1Very high94.2Very high50 Ų5036 Ų3635%0.3519%0.185SC..EExtended strand (participates in β ladder)trans-114.499.2173.1-1790000108.4P144 H206S142-P144 WeakPolarHBondContact O-CD 3.38Å; S142-H206 WeakPolarHBondContact OG-CB 3.31Å; S142-H206 PolarHBondContact OG-ND1 3.19Å; S142-H206 VanDerWaalsContact OG-ND1 3.1Å
143C95.8Very high94.5Very high0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-87.6115.9-176.8-69.70000110.7Y50 C129 H206 F207 L209Y50-C143 HydrophobicContact CD1-CB 3.99Å; Y50-C143 HydrophobicContact CE1-CB 3.77Å; C129-C143 HydrophobicContact CB-CB 3.68Å; C129-C143 WeakPolarHBondContact CB-SG 3.39Å; C129-C143 WeakPolarHBondContact SG-CA 3.42Å; C129-C143 WeakPolarHBondContact SG-CB 3.46Å; C129-C143 CovalentContact SG-SG 2.04Å; C129-C143 PolarHBondContact SG-SG 3.26Å; C143-H206 WeakPolarHBondContact O-CA 3.31Å; C143-F207 PolarHBondContact N-O 3.05Å; C143-F207 PolarHBondContact O-N 3.46Å; C143-L209 HydrophobicContact CB-CD1 4.46Å
144P96.1Very high94.6Very high15 Ų1534.7 Ų34.710%0.09718%0.179CC..EExtended strand (participates in β ladder)trans-81.1147.8-178.333-34.2000111.4Y50 N93 S142 K146 A205Y50-P144 PolarHBondContact OH-O 2.85Å; N93-P144 PolarHBondContact ND2-O 3.23Å; S142-P144 WeakPolarHBondContact O-CD 3.38Å; P144-K146 HydrophobicContact CB-CG 4.09Å; P144-A205 CarbonylContact C-O 3.55Å; P144-A205 WeakPolarHBondContact CA-O 3.42Å
145L96.5Very high94.8Very high1 Ų135.2 Ų35.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-118.8107.6162.1-176.266.3000106.6Y50 F91 V125 A127 A205 F207Y50-L145 WeakPolarHBondContact OH-CB 3.49Å; Y50-L145 PolarHBondContact OH-N 3.28Å; F91-L145 HydrophobicContact CD1-CD1 3.67Å; F91-L145 HydrophobicContact CD1-CG 4.17Å; F91-L145 HydrophobicContact CE1-CD1 3.93Å; F91-L145 HydrophobicContact CE1-CD2 4.29Å; F91-L145 HydrophobicContact CE1-CG 4.17Å; V125-L145 HydrophobicContact CG1-CD1 3.98Å; A127-L145 HydrophobicContact CB-CD1 4.19Å; L145-A205 HydrophobicContact CB-CB 4.43Å; L145-A205 PolarHBondContact N-O 3.27Å; L145-A205 PolarHBondContact O-N 2.85Å; L145-F207 HydrophobicContact CB-CE2 3.99Å; L145-F207 HydrophobicContact CD2-CE2 4.26Å
146K96.4Very high94.9Very high50 Ų5036.9 Ų36.922%0.21720%0.196CC..EExtended strand (participates in β ladder)trans-109.8125.1-175.2-56.6-157.1176.1-158.40109.9F91 H92 N93 P144 E191 V202 M203 T204F91-K146 CarbonylContact C-O 3.54Å; F91-K146 VanDerWaalsContact CA-O 3.27Å; F91-K146 WeakPolarHBondContact CA-O 3.5Å; H92-K146 HydrophobicContact CB-CB 4.05Å; H92-K146 PolarHBondContact N-O 3.36Å; N93-K146 PolarHBondContact OD1-N 3.4Å; P144-K146 HydrophobicContact CB-CG 4.09Å; K146-E191 IonicContact NZ-OE1 3.24Å; K146-E191 IonicContact NZ-OE2 2.86Å; K146-E191 PolarHBondContact NZ-OE2 3.43Å; K146-V202 HydrophobicContact CB-CG1 4.03Å; K146-M203 WeakPolarHBondContact CA-O 3.42Å; K146-T204 HydrophobicContact CB-CG2 4.44Å; K146-T204 HydrophobicContact CD-CG2 3.89Å; K146-T204 HydrophobicContact CG-CG2 3.83Å
147F97.1Very high95Very high0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-139.1149.6176.162.2-90.7000112.3T33 V35 F56 T89 F90 F91 W161 M203T33-F147 HydrophobicContact CG2-CE2 3.99Å; V35-F147 HydrophobicContact CG2-CE1 4.23Å; V35-F147 HydrophobicContact CG2-CZ 4.31Å; F56-F147 HydrophobicContact CE2-CD1 4.27Å; F56-F147 AromaticContact CE2-CD2 3.92Å; F56-F147 HydrophobicContact CE2-CD2 3.92Å; F56-F147 HydrophobicContact CE2-CE1 4.1Å; F56-F147 AromaticContact CE2-CE2 3.74Å; F56-F147 HydrophobicContact CE2-CE2 3.74Å; F56-F147 HydrophobicContact CE2-CG 4.18Å; F56-F147 AromaticContact CE2-CZ 3.83Å; F56-F147 HydrophobicContact CE2-CZ 3.83Å; F56-F147 AromaticContact CZ-CD2 3.69Å; F56-F147 HydrophobicContact CZ-CD2 3.69Å; F56-F147 AromaticContact CZ-CE2 3.71Å; F56-F147 HydrophobicContact CZ-CE2 3.71Å; F56-F147 HydrophobicContact CZ-CG 4.26Å; F56-F147 HydrophobicContact CZ-CZ 4.28Å; T89-F147 HydrophobicContact CG2-CB 4.16Å; T89-F147 HydrophobicContact CG2-CD2 3.87Å; T89-F147 HydrophobicContact CG2-CG 4.44Å; F90-F147 WeakPolarHBondContact O-CA 3.43Å; F90-F147 WeakPolarHBondContact O-CB 3.4Å; F91-F147 HydrophobicContact CD1-CB 3.77Å; F91-F147 HydrophobicContact CE1-CB 3.98Å; F91-F147 HydrophobicContact CE1-CD1 4.22Å; F91-F147 HydrophobicContact CE1-CG 4.36Å; F91-F147 HydrophobicContact CG-CB 4.47Å; F147-W161 AromaticContact CE1-CH2 3.78Å; F147-W161 HydrophobicContact CE1-CH2 3.78Å; F147-W161 HydrophobicContact CE1-CZ3 4.45Å; F147-W161 AromaticContact CZ-CH2 3.56Å; F147-W161 HydrophobicContact CZ-CH2 3.56Å; F147-W161 HydrophobicContact CZ-CZ2 4.3Å; F147-W161 AromaticContact CZ-CZ3 3.88Å; F147-W161 HydrophobicContact CZ-CZ3 3.88Å; F147-M203 HydrophobicContact CD1-CB 4.32Å; F147-M203 HydrophobicContact CD2-CB 3.93Å; F147-M203 HydrophobicContact CD2-CG 4.24Å; F147-M203 HydrophobicContact CE1-CB 3.88Å; F147-M203 HydrophobicContact CE2-CB 3.43Å; F147-M203 VanDerWaalsContact CE2-CB 3.43Å; F147-M203 HydrophobicContact CE2-CG 3.64Å; F147-M203 HydrophobicContact CG-CB 4.35Å; F147-M203 HydrophobicContact CZ-CB 3.41Å; F147-M203 VanDerWaalsContact CZ-CB 3.41Å; F147-M203 HydrophobicContact CZ-CG 4.02Å; F147-M203 PolarHBondContact N-O 3.39Å; F147-M203 PolarHBondContact O-N 2.94Å
148G96.8Very high95.1Very high0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans-163.1-179.8-17600000111.6T89 F90T89-G148 VanDerWaalsContact CA-O 3.31Å; T89-G148 WeakPolarHBondContact CA-O 3.35Å; F90-G148 WeakPolarHBondContact CD1-O 3.19Å; F90-G148 PolarHBondContact N-O 2.98Å; F90-G148 PolarHBondContact O-N 2.81Å; F90-G148 VanDerWaalsContact O-N 3.09Å
149S97.1Very high95.3Very high3 Ų336.5 Ų36.52%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-78.2143.5171.3172.40000109.2D88 F90 Y152D88-S149 WeakPolarHBondContact OD1-CB 3.27Å; D88-S149 PolarHBondContact OD1-OG 2.87Å; F90-S149 WeakPolarHBondContact CE1-O 3.41Å; S149-Y152 WeakPolarHBondContact OG-CB 3.35Å; S149-Y152 PolarHBondContact OG-N 2.91Å; S149-Y152 PolarHBondContact OG-O 3.41Å
150Y95.3Very high95.4Very high165 Ų16538.3 Ų38.365%0.64721%0.205SC*.SBendtrans-82.4-53.5178.6-174.6-97.5000112.2D88 F90 Y200D88-Y150 PolarHBondContact O-N 2.88Å; D88-Y150 PolarHBondContact OD2-N 2.78Å; F90-Y150 AromaticContact CD1-CD2 3.95Å; F90-Y150 HydrophobicContact CD1-CD2 3.95Å; F90-Y150 HydrophobicContact CD1-CG 4.3Å; F90-Y150 HydrophobicContact CD2-CD2 4.37Å; F90-Y150 AromaticContact CE1-CD2 3.84Å; F90-Y150 HydrophobicContact CE1-CD2 3.84Å; F90-Y150 HydrophobicContact CE1-CG 4.37Å; F90-Y150 HydrophobicContact CE2-CD2 4.25Å; F90-Y150 HydrophobicContact CG-CD2 4.21Å; F90-Y150 AromaticContact CZ-CD2 3.98Å; F90-Y150 HydrophobicContact CZ-CD2 3.98Å; Y150-Y200 WeakPolarHBondContact O-CE1 3.26Å
151A95.6Very high95.5Very high56 Ų5636.8 Ų36.846%0.46319%0.189SC..SBendtrans-92.6-39.7-174.500000112.6D88D88-A151 VanDerWaalsContact OD2-CB 3.25Å; D88-A151 WeakPolarHBondContact OD2-CB 3.4Å; D88-A151 PolarHBondContact OD2-N 3.12Å
152Y96.1Very high95.2Very high46 Ų4639.1 Ų39.118%0.1821%0.205CC..  trans-84.6127.1-170.2-58.2-70.8000112.5R21 W85 D88 S149 E156 V157 Y200R21-Y152 HydrophobicContact CB-CE1 4.35Å; W85-Y152 HydrophobicContact CZ2-CD2 4.35Å; W85-Y152 AromaticContact CZ2-CE2 3.74Å; W85-Y152 HydrophobicContact CZ2-CE2 3.74Å; W85-Y152 AromaticContact NE1-CE2 3.98Å; W85-Y152 AromaticContact NE1-CZ 3.81Å; W85-Y152 PolarHBondContact NE1-OH 3.46Å; D88-Y152 WeakPolarHBondContact OD1-CD2 3.25Å; S149-Y152 WeakPolarHBondContact OG-CB 3.35Å; S149-Y152 PolarHBondContact OG-N 2.91Å; S149-Y152 PolarHBondContact OG-O 3.41Å; Y152-E156 WeakPolarHBondContact CA-OE2 3.46Å; Y152-E156 HydrophobicContact CD1-CB 4.2Å; Y152-V157 VanDerWaalsContact CB-CG2 3.47Å; Y152-V157 HydrophobicContact CD1-CG2 4.3Å; Y152-V157 HydrophobicContact CD2-CG2 3.78Å; Y152-V157 HydrophobicContact CG-CB 4.4Å; Y152-V157 HydrophobicContact CG-CG2 3.59Å; Y152-Y200 WeakPolarHBondContact O-CD1 3.3Å; Y152-Y200 VanDerWaalsContact O-CE1 3.29Å; Y152-Y200 WeakPolarHBondContact O-CE1 3.31Å
153T96.1Very high94.2Very high28 Ų2844.7 Ų44.717%0.17222%0.218CC..  trans-75170.2177.462.10000111.6T155 E156 V157 E199 Y200T153-T155 PolarHBondContact O-N 2.85Å; T153-T155 VanDerWaalsContact O-N 3.11Å; T153-T155 PolarHBondContact OG1-OG1 2.82Å; T153-E156 PolarHBondContact N-OE2 3.05Å; T153-E156 PolarHBondContact O-N 3.43Å; T153-E156 PolarHBondContact OG1-OE2 3.42Å; T153-E156 VanDerWaalsContact OG1-OE2 3.12Å; T153-V157 PolarHBondContact O-N 3.32Å; T153-E199 CarbonylContact C-O 3.53Å; T153-E199 WeakPolarHBondContact CA-O 3.4Å; T153-Y200 HydrophobicContact CG2-CE1 4.28Å
154K95.3Very high93.1Very high81 Ų8150.5 Ų50.535%0.35225%0.249SC..THydrogen-bonded Turntrans-56.8-26.2179.5179.6175.1177.4178.70113.7E156 T192 E199K154-E156 VanDerWaalsContact C-N 3.33Å; K154-T192 HydrophobicContact CD-CG2 3.99Å; K154-T192 PolarHBondContact NZ-OG1 3.02Å; K154-E199 WeakPolarHBondContact CB-O 3.05Å; K154-E199 PolarHBondContact N-O 2.82Å
155T94.1Very high91.7Very high107 Ų10751.8 Ų51.866%0.65626%0.261SS*.THydrogen-bonded Turntrans-83-9.7176.956.30000113.2V28 T153V28-T155 WeakPolarHBondContact CG2-O 3.23Å; T153-T155 PolarHBondContact O-N 2.85Å; T153-T155 VanDerWaalsContact O-N 3.11Å; T153-T155 PolarHBondContact OG1-OG1 2.82Å
156E95.2Very high90.4Very high58 Ų5856 Ų5627%0.27129%0.29SS..THydrogen-bonded Turntrans-108.5-48.6-179.3-65.4172.4120.800111.4R21 V28 T29 Y152 T153 K154R21-E156 PolarHBondContact NH1-O 3.37Å; V28-E156 WeakPolarHBondContact CG1-O 3.48Å; T29-E156 PolarHBondContact N-O 3.11Å; Y152-E156 WeakPolarHBondContact CA-OE2 3.46Å; Y152-E156 HydrophobicContact CD1-CB 4.2Å; T153-E156 PolarHBondContact N-OE2 3.05Å; T153-E156 PolarHBondContact O-N 3.43Å; T153-E156 PolarHBondContact OG1-OE2 3.42Å; T153-E156 VanDerWaalsContact OG1-OE2 3.12Å; K154-E156 VanDerWaalsContact C-N 3.33Å
157V96.3Very high89.6Confident1 Ų158.8 Ų58.81%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-133.3130.6178.7178.40000109.2T29 V31 W85 Y152 T153 Y159T29-V157 WeakPolarHBondContact O-CA 3.36Å; V31-V157 HydrophobicContact CG2-CG1 3.87Å; W85-V157 HydrophobicContact CH2-CG2 4.42Å; W85-V157 HydrophobicContact CZ2-CG2 4.46Å; Y152-V157 VanDerWaalsContact CB-CG2 3.47Å; Y152-V157 HydrophobicContact CD1-CG2 4.3Å; Y152-V157 HydrophobicContact CD2-CG2 3.78Å; Y152-V157 HydrophobicContact CG-CB 4.4Å; Y152-V157 HydrophobicContact CG-CG2 3.59Å; T153-V157 PolarHBondContact O-N 3.32Å; V157-Y159 HydrophobicContact CG1-CE2 4.08Å
158T95.8Very high89.1Confident19 Ų1958.8 Ų58.812%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-125.7134.7171.8-163.60000110.9V28 T29 E30 V31 K190 T201V28-T158 HydrophobicContact CG1-CG2 4.03Å; T29-T158 PolarHBondContact O-N 2.89Å; T29-T158 VanDerWaalsContact O-N 3.08Å; E30-T158 WeakPolarHBondContact CA-O 3.42Å; E30-T158 HydrophobicContact CG-CG2 3.95Å; V31-T158 PolarHBondContact N-O 2.96Å; T158-K190 PolarHBondContact OG1-NZ 2.84Å; T158-T201 PolarHBondContact OG1-OG1 3.18Å
159Y95.9Very high88.8Confident1 Ų158.8 Ų58.80%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-91.2142.7175-66.5-90000110.6V31 T33 T89 V157 K190 M203V31-Y159 HydrophobicContact CB-CD1 3.82Å; V31-Y159 HydrophobicContact CB-CE1 3.91Å; V31-Y159 HydrophobicContact CG1-CD1 3.89Å; V31-Y159 HydrophobicContact CG1-CE1 3.75Å; V31-Y159 HydrophobicContact CG2-CE1 4.49Å; V31-Y159 WeakPolarHBondContact O-CA 3.04Å; T33-Y159 HydrophobicContact CG2-CD1 3.62Å; T33-Y159 HydrophobicContact CG2-CE1 4.2Å; T89-Y159 HydrophobicContact CG2-CE1 4.31Å; T89-Y159 WeakPolarHBondContact OG1-CE1 2.75Å; T89-Y159 PolarHBondContact OG1-OH 2.68Å; V157-Y159 HydrophobicContact CG1-CE2 4.08Å; Y159-K190 PolarHBondContact O-NZ 2.87Å; Y159-M203 VanDerWaalsContact CB-CG 3.43Å; Y159-M203 WeakPolarHBondContact CB-SD 3.41Å; Y159-M203 HydrophobicContact CG-CG 4.2Å
160I94.5Very high88.5Confident44 Ų4462.6 Ų62.623%0.22633%0.325CS..EExtended strand (participates in β ladder)trans-140.5149.7175.253.9169.8000109.4V31 K32 T33V31-I160 PolarHBondContact O-N 2.66Å; K32-I160 CarbonylContact C-O 3.57Å; K32-I160 VanDerWaalsContact CA-O 3.27Å; K32-I160 WeakPolarHBondContact CA-O 3.16Å; K32-I160 HydrophobicContact CB-CG1 4.44Å; K32-I160 HydrophobicContact CD-CD1 4.35Å; K32-I160 HydrophobicContact CG-CD1 3.57Å; K32-I160 HydrophobicContact CG-CG1 3.68Å; T33-I160 PolarHBondContact N-O 2.86Å; T33-I160 PolarHBondContact OG1-O 3.1Å
161W93.8Very high88.3Confident33 Ų3355.7 Ų55.713%0.12530%0.3CS..EExtended strand (participates in β ladder)trans-72.1141.5172.6-69.2119.1000110.5V35 F147 V169 V188 G189 M203V35-W161 HydrophobicContact CG2-CH2 4.4Å; V35-W161 HydrophobicContact CG2-CZ3 4.09Å; F147-W161 AromaticContact CE1-CH2 3.78Å; F147-W161 HydrophobicContact CE1-CH2 3.78Å; F147-W161 HydrophobicContact CE1-CZ3 4.45Å; F147-W161 AromaticContact CZ-CH2 3.56Å; F147-W161 HydrophobicContact CZ-CH2 3.56Å; F147-W161 HydrophobicContact CZ-CZ2 4.3Å; F147-W161 AromaticContact CZ-CZ3 3.88Å; F147-W161 HydrophobicContact CZ-CZ3 3.88Å; W161-V169 HydrophobicContact CE3-CG2 4.49Å; W161-V169 HydrophobicContact CH2-CG2 3.52Å; W161-V169 HydrophobicContact CZ2-CG2 4.22Å; W161-V169 HydrophobicContact CZ3-CG2 3.69Å; W161-V188 HydrophobicContact CZ2-CB 4.19Å; W161-V188 HydrophobicContact CZ2-CG1 4.34Å; W161-G189 PolarHBondContact NE1-O 2.71Å; W161-G189 VanDerWaalsContact NE1-O 3.14Å; W161-M203 HydrophobicContact CD2-CE 3.54Å; W161-M203 HydrophobicContact CE3-CE 4.39Å; W161-M203 HydrophobicContact CG-CE 3.55Å; W161-M203 HydrophobicContact CH2-CB 4.49Å; W161-M203 HydrophobicContact CZ2-CB 4.09Å; W161-M203 HydrophobicContact CZ2-CE 3.95Å
162T84.7Confident88Confident64 Ų6453.5 Ų53.539%0.39328%0.281SS..SBendtrans-72.2-30.2-173.6-40.90000113.2K32 T33K32-T162 HydrophobicContact CB-CG2 4.09Å; K32-T162 HydrophobicContact CD-CG2 4.39Å; T33-T162 PolarHBondContact N-OG1 3.47Å; T33-T162 PolarHBondContact O-N 2.99Å; T33-T162 PolarHBondContact O-OG1 3.01Å
163R73.9Confident87.5Confident166 Ų16659.8 Ų59.863%0.62632%0.318SS*.SBendtrans-120.1-175.5176.7-67.3-177.1175.3174.8-2.7109.7A165 Q167 S168R163-A165 PolarHBondContact O-N 2.98Å; R163-Q167 HydrophobicContact CB-CB 4.05Å; R163-S168 PolarHBondContact N-OG 2.89Å; R163-S168 PolarHBondContact O-OG 3.03Å
164N72.7Confident86.9Confident122 Ų12265.1 Ų65.165%0.65235%0.345SS*.SBendtrans-43.5137.9158.5-71.1-13.2000109.1S166 Q167 S168N164-S166 VanDerWaalsContact C-N 3.26Å; N164-S166 PolarHBondContact O-N 3.09Å; N164-S166 VanDerWaalsContact O-N 3.13Å; N164-Q167 PolarHBondContact O-N 2.76Å; N164-S168 PolarHBondContact O-N 3.26Å; N164-S168 PolarHBondContact O-OG 2.83Å
165A65.9Low86Confident43 Ų4361.3 Ų61.336%0.35533%0.329SS..Hα-helixtrans-52.5-45.9-16500000111.4R163 Q167 S168 V188R163-A165 PolarHBondContact O-N 2.98Å; A165-Q167 VanDerWaalsContact C-N 3.29Å; A165-Q167 PolarHBondContact O-N 3.42Å; A165-S168 WeakPolarHBondContact O-CB 3.21Å; A165-S168 PolarHBondContact O-N 2.57Å; A165-V188 HydrophobicContact CB-CG2 3.25Å; A165-V188 WeakPolarHBondContact O-CG2 3.43Å
166S69.4Low85.3Confident88 Ų8859 Ų5962%0.61532%0.318SS*.Hα-helixtrans-62-24.8179.552.70000115.8N164N164-S166 VanDerWaalsContact C-N 3.26Å; N164-S166 PolarHBondContact O-N 3.09Å; N164-S166 VanDerWaalsContact O-N 3.13Å
167Q80.2Confident84.5Confident110 Ų11064.6 Ų64.651%0.51434%0.336SS..Hα-helixtrans-93.4-4.8177.9-66.9-177.1-21.700113.2R163 N164 A165R163-Q167 HydrophobicContact CB-CB 4.05Å; N164-Q167 PolarHBondContact O-N 2.76Å; A165-Q167 VanDerWaalsContact C-N 3.29Å; A165-Q167 PolarHBondContact O-N 3.42Å
168S85.7Confident84.1Confident0 Ų065.1 Ų65.10%034%0.339CS..Hα-helixtrans-89-15.4-176.9-630000113.1N34 V35 R163 N164 A165N34-S168 PolarHBondContact ND2-O 3.07Å; V35-S168 PolarHBondContact N-O 3.42Å; R163-S168 PolarHBondContact N-OG 2.89Å; R163-S168 PolarHBondContact O-OG 3.03Å; N164-S168 PolarHBondContact O-N 3.26Å; N164-S168 PolarHBondContact O-OG 2.83Å; A165-S168 WeakPolarHBondContact O-CB 3.21Å; A165-S168 PolarHBondContact O-N 2.57Å
169V90.9Very high83.6Confident0 Ų071.3 Ų71.30%037%0.371CS..EExtended strand (participates in β ladder)trans-120.5106.9169.4-178.80000107.6V35 W161 Q186 V188 A205 F207V35-V169 HydrophobicContact CB-CG2 4.23Å; V35-V169 WeakPolarHBondContact O-CA 3.2Å; W161-V169 HydrophobicContact CE3-CG2 4.49Å; W161-V169 HydrophobicContact CH2-CG2 3.52Å; W161-V169 HydrophobicContact CZ2-CG2 4.22Å; W161-V169 HydrophobicContact CZ3-CG2 3.69Å; V169-Q186 HydrophobicContact CB-CG 4.49Å; V169-Q186 HydrophobicContact CG1-CG 4.26Å; V169-Q186 PolarHBondContact O-NE2 2.83Å; V169-V188 HydrophobicContact CB-CG1 3.78Å; V169-V188 HydrophobicContact CG2-CG1 3.42Å; V169-V188 VanDerWaalsContact CG2-CG1 3.42Å; V169-A205 HydrophobicContact CG1-CB 4.5Å; V169-A205 HydrophobicContact CG2-CB 4.05Å; V169-F207 HydrophobicContact CG1-CE1 4.16Å; V169-F207 HydrophobicContact CG1-CZ 4.26Å
170D90.8Very high83.2Confident83 Ų8376.1 Ų76.144%0.44439%0.394SS..EExtended strand (participates in β ladder)trans-116.1142.2-178.2-169.623.7000109.7V35 Y36 V37V35-D170 PolarHBondContact O-N 3.47Å; V35-D170 VanDerWaalsContact O-N 3.1Å; Y36-D170 CarbonylContact C-O 3.57Å; Y36-D170 WeakPolarHBondContact CA-O 3.49Å; Y36-D170 HydrophobicContact CD2-CB 4.05Å; V37-D170 PolarHBondContact N-O 2.67Å
171V91.2Very high83.1Confident20 Ų2074.1 Ų74.112%0.12138%0.383CS..EExtended strand (participates in β ladder)trans-118.3127.6-177.9-174.70000107.7V37 D173 L183 F207V37-V171 HydrophobicContact CB-CB 4.33Å; V37-V171 HydrophobicContact CB-CG1 4.19Å; V37-V171 HydrophobicContact CB-CG2 4.05Å; V37-V171 HydrophobicContact CG1-CG1 4.18Å; V37-V171 HydrophobicContact CG2-CG2 4.15Å; V171-D173 PolarHBondContact O-N 2.87Å; V171-L183 HydrophobicContact CB-CD2 4.49Å; V171-L183 HydrophobicContact CG1-CD2 3.83Å; V171-L183 HydrophobicContact CG2-CD2 4.28Å; V171-F207 HydrophobicContact CG2-CE1 4.35Å
172A90.4Very high83Confident9 Ų976 Ų767%0.07440%0.396CS..  trans-55.6136.6177.200000110.9Y36 V37 D174 G175Y36-A172 HydrophobicContact CE1-CB 4.4Å; V37-A172 PolarHBondContact O-N 2.77Å; A172-D174 PolarHBondContact O-N 2.86Å; A172-G175 WeakPolarHBondContact O-CA 3.3Å; A172-G175 PolarHBondContact O-N 2.77Å
173D84.1Confident83.3Confident178 Ų17874.9 Ų74.995%0.95239%0.387SS*.THydrogen-bonded Turntrans-57.7-34.7-177.6-65.1-44.2000112.4V171V171-D173 PolarHBondContact O-N 2.87Å
174D84Confident84.1Confident140 Ų14071.4 Ų71.475%0.74938%0.384SS*.THydrogen-bonded Turntrans-95.85.1175.668.2-31000113.3A172 S176A172-D174 PolarHBondContact O-N 2.86Å; D174-S176 VanDerWaalsContact C-N 3.31Å; D174-S176 PolarHBondContact O-N 2.54Å
175G77.2Confident84.9Confident1 Ų166.5 Ų66.51%0.0136%0.363CS..  trans-77.8-8.4-17300000114.8T38 S39 F40 A172 R177T38-G175 WeakPolarHBondContact O-CA 3.3Å; S39-G175 CarbonylContact C-O 3.6Å; S39-G175 VanDerWaalsContact CA-O 3.26Å; S39-G175 WeakPolarHBondContact CA-O 3.46Å; F40-G175 PolarHBondContact N-O 2.83Å; A172-G175 WeakPolarHBondContact O-CA 3.3Å; A172-G175 PolarHBondContact O-N 2.77Å; G175-R177 PolarHBondContact O-N 3.31Å
176S79.8Confident86Confident60 Ų6067.5 Ų67.542%0.4236%0.36SS..BIsolated β-bridgetrans-79.5102.8178-1730000110.9D174D174-S176 VanDerWaalsContact C-N 3.31Å; D174-S176 PolarHBondContact O-N 2.54Å
177R77.6Confident87.1Confident174 Ų17466.2 Ų66.266%0.65735%0.348SS*.  trans-103.831.6174.4-61.1-176.9176.8-176.8-2.1112F40 G175F40-R177 PolarHBondContact O-N 2.72Å; G175-R177 PolarHBondContact O-N 3.31Å
178L86.8Confident87.6Confident12 Ų1262.5 Ų62.56%0.06333%0.333CS..  trans-91.1116-174.4-70.4169.2000111.9F40 G41 V43 Y181 L183 L209F40-L178 HydrophobicContact CD1-CD1 3.72Å; F40-L178 HydrophobicContact CD1-CD2 3.71Å; F40-L178 HydrophobicContact CD1-CG 3.87Å; F40-L178 HydrophobicContact CE1-CD1 4.18Å; F40-L178 HydrophobicContact CE1-CD2 4.03Å; F40-L178 HydrophobicContact CG-CD1 4.37Å; G41-L178 WeakPolarHBondContact O-CD2 3.01Å; V43-L178 HydrophobicContact CG2-CD2 3.67Å; L178-Y181 WeakPolarHBondContact CB-O 3.37Å; L178-L183 HydrophobicContact CD1-CB 4.14Å; L178-L209 HydrophobicContact CD1-CD2 3.8Å
179N85.5Confident87.8Confident149 Ų14963.7 Ų63.780%0.79735%0.346SS*.SBendtrans-80.6-42.3177.6-65.5-26.8000112.4
180Q88.9Confident87.9Confident103 Ų10368.3 Ų68.348%0.48137%0.366SS..SBendtrans-97.2-18-172.5-64.6177.2-3.900113.5K212Q180-K212 PolarHBondContact O-N 3.08Å
181Y92.4Very high87.9Confident1 Ų167.7 Ų67.70%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-124.8158.4-175-72.8-88.4000111.2V43 D45 H141 L178 L209 K210 R211V43-Y181 HydrophobicContact CB-CD2 4.03Å; V43-Y181 HydrophobicContact CB-CE2 3.97Å; V43-Y181 HydrophobicContact CG1-CD2 4.29Å; V43-Y181 HydrophobicContact CG1-CE2 3.79Å; V43-Y181 HydrophobicContact CG2-CD2 4.31Å; D45-Y181 PolarHBondContact OD1-OH 3.42Å; H141-Y181 AromaticContact CD2-CE1 3.82Å; H141-Y181 PolarHBondContact CD2-OH 3.4Å; L178-Y181 WeakPolarHBondContact CB-O 3.37Å; Y181-L209 HydrophobicContact CD1-CB 3.86Å; Y181-L209 HydrophobicContact CE1-CB 4.37Å; Y181-L209 HydrophobicContact CG-CB 4.43Å; Y181-K210 CarbonylContact C-O 3.54Å; Y181-K210 VanDerWaalsContact CA-O 3.27Å; Y181-K210 WeakPolarHBondContact CA-O 3.36Å; Y181-R211 HydrophobicContact CD1-CB 4.07Å; Y181-R211 HydrophobicContact CE1-CB 3.85Å; Y181-R211 HydrophobicContact CE1-CG 4.32Å; Y181-R211 PolarHBondContact OH-NH1 3.45Å; Y181-R211 PolarHBondContact OH-NH2 3.08Å
182D91.4Very high88.1Confident73 Ų7369.6 Ų69.639%0.3937%0.372SS..EExtended strand (participates in β ladder)trans-110.5132.1162.4-72-44.3000108.9V184 L209 K210 K212D182-V184 PolarHBondContact O-N 2.69Å; D182-L209 WeakPolarHBondContact O-CA 3.22Å; D182-K210 PolarHBondContact N-O 2.84Å; D182-K210 PolarHBondContact O-N 2.73Å; D182-K212 WeakPolarHBondContact OD1-CE 3.38Å; D182-K212 IonicContact OD1-NZ 3.59Å; D182-K212 PolarHBondContact OD1-NZ 2.9Å; D182-K212 WeakPolarHBondContact OD2-CE 3.44Å
183L91.3Very high88.3Confident40 Ų4072.2 Ų72.221%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-79.5108.2169.418065.5000108V171 L178 F207 L209V171-L183 HydrophobicContact CB-CD2 4.49Å; V171-L183 HydrophobicContact CG1-CD2 3.83Å; V171-L183 HydrophobicContact CG2-CD2 4.28Å; L178-L183 HydrophobicContact CD1-CB 4.14Å; L183-F207 HydrophobicContact CD1-CB 4.08Å; L183-F207 HydrophobicContact CD1-CD1 4.3Å; L183-L209 HydrophobicContact CB-CD2 4.37Å; L183-L209 HydrophobicContact CD1-CD2 3.82Å
184V90Very high88.8Confident93 Ų9371.3 Ų71.356%0.56437%0.371SS*.EExtended strand (participates in β ladder)trans-80.5-34.7-176.9-1790000111.1D182 H208 K210D182-V184 PolarHBondContact O-N 2.69Å; V184-H208 HydrophobicContact CB-CB 4.33Å; V184-H208 PolarHBondContact N-O 2.84Å; V184-K210 HydrophobicContact CG2-CB 3.71Å
185G89.2Confident89.2Confident19 Ų1967.7 Ų67.720%0.19636%0.357CS..EExtended strand (participates in β ladder)trans166-170.6179.400000111.9H208G185-H208 PolarHBondContact O-N 3.29Å
186Q89.9Confident90.1Very high64 Ų6473.6 Ų73.630%0.29940%0.399SS..EExtended strand (participates in β ladder)trans-136.2142.6-177.772.4-76.918.500111.5V169 H206 F207V169-Q186 HydrophobicContact CB-CG 4.49Å; V169-Q186 HydrophobicContact CG1-CG 4.26Å; V169-Q186 PolarHBondContact O-NE2 2.83Å; Q186-H206 CarbonylContact C-O 3.59Å; Q186-H206 WeakPolarHBondContact CA-O 3.44Å; Q186-F207 HydrophobicContact CB-CD1 4.08Å; Q186-F207 HydrophobicContact CB-CE1 4.32Å
187T91.3Very high90.7Very high61 Ų6175.3 Ų75.337%0.37441%0.407SS..EExtended strand (participates in β ladder)trans-119.2148.716948.70000109A205 H206 H208T187-A205 CarbonylContact O-C 3.54Å; T187-A205 WeakPolarHBondContact O-CA 3.24Å; T187-H206 PolarHBondContact N-O 2.7Å; T187-H206 PolarHBondContact O-N 3.08Å; T187-H206 VanDerWaalsContact OG1-CB 3.28Å; T187-H206 WeakPolarHBondContact OG1-CB 3.31Å; T187-H208 VanDerWaalsContact CG2-NE2 3.26Å; T187-H208 WeakPolarHBondContact CG2-NE2 3.2Å; T187-H208 PolarHBondContact OG1-NE2 3.48Å
188V92.1Very high91.5Very high32 Ų3268.1 Ų68.119%0.19439%0.387CS..EExtended strand (participates in β ladder)trans-129.7146.9-178-61.80000110.7W161 A165 V169 T204 A205W161-V188 HydrophobicContact CZ2-CB 4.19Å; W161-V188 HydrophobicContact CZ2-CG1 4.34Å; A165-V188 HydrophobicContact CB-CG2 3.25Å; A165-V188 WeakPolarHBondContact O-CG2 3.43Å; V169-V188 HydrophobicContact CB-CG1 3.78Å; V169-V188 HydrophobicContact CG2-CG1 3.42Å; V169-V188 VanDerWaalsContact CG2-CG1 3.42Å; V188-T204 CarbonylContact C-O 3.55Å; V188-T204 WeakPolarHBondContact CA-O 3.3Å; V188-A205 HydrophobicContact CG1-CB 4.16Å
189G90.1Very high92Very high25 Ų2571 Ų7126%0.25840%0.4SS..EExtended strand (participates in β ladder)trans-144177.2-176.200000112.3W161 T204W161-G189 PolarHBondContact NE1-O 2.71Å; W161-G189 VanDerWaalsContact NE1-O 3.14Å; G189-T204 WeakPolarHBondContact CA-OG1 3.16Å; G189-T204 PolarHBondContact N-O 3.12Å; G189-T204 PolarHBondContact O-N 2.85Å; G189-T204 VanDerWaalsContact O-N 3.16Å
190K91.7Very high92.5Very high98 Ų9865 Ų6543%0.42637%0.366SS..EExtended strand (participates in β ladder)trans-137.6123.2170.9172.9171.4171.3156.80107.1T158 Y159 T201 M203T158-K190 PolarHBondContact OG1-NZ 2.84Å; Y159-K190 PolarHBondContact O-NZ 2.87Å; K190-T201 HydrophobicContact CD-CG2 4.2Å; K190-T201 VanDerWaalsContact CE-CG2 3.48Å; K190-T201 HydrophobicContact CG-CG2 4.21Å; K190-M203 HydrophobicContact CB-CE 4.43Å; K190-M203 HydrophobicContact CB-SD 4.37Å; K190-M203 HydrophobicContact CD-SD 4.28Å; K190-M203 HydrophobicContact CG-SD 4.17Å
191E92.1Very high92.9Very high69 Ų6960.3 Ų60.332%0.32234%0.344SS..EExtended strand (participates in β ladder)trans-114.8152.7179.3-68.6172.1-166.700109.2K146 V202 T204K146-E191 IonicContact NZ-OE1 3.24Å; K146-E191 IonicContact NZ-OE2 2.86Å; K146-E191 PolarHBondContact NZ-OE2 3.43Å; E191-V202 PolarHBondContact N-O 2.87Å; E191-V202 PolarHBondContact O-N 3.49Å; E191-V202 VanDerWaalsContact O-O 3.13Å; E191-T204 HydrophobicContact CB-CG2 4.45Å; E191-T204 HydrophobicContact CG-CG2 4.06Å
192T94.8Very high93.1Very high60 Ų6060.2 Ų60.237%0.36834%0.344SS..EExtended strand (participates in β ladder)trans-111.7119.3166.4-590000107.4K154 E199 Y200K154-T192 HydrophobicContact CD-CG2 3.99Å; K154-T192 PolarHBondContact NZ-OG1 3.02Å; T192-E199 HydrophobicContact CG2-CB 4.17Å; T192-Y200 WeakPolarHBondContact CA-O 3.05Å
193I93.7Very high93.3Very high64 Ų6456.8 Ų56.833%0.32833%0.325SS..EExtended strand (participates in β ladder)trans-103.5130.8178.8-59.1-171.9000108.6Y200 V202I193-Y200 PolarHBondContact N-O 3.32Å; I193-Y200 PolarHBondContact O-N 3.44Å; I193-V202 HydrophobicContact CB-CG2 4.11Å; I193-V202 HydrophobicContact CD1-CB 4.13Å; I193-V202 HydrophobicContact CD1-CG1 4.28Å; I193-V202 HydrophobicContact CD1-CG2 3.64Å; I193-V202 HydrophobicContact CG1-CB 4.22Å; I193-V202 HydrophobicContact CG1-CG2 3.7Å
194K94.6Very high93.4Very high159 Ų15955 Ų5569%0.69132%0.316SS*.EExtended strand (participates in β ladder)trans-90.6120.1171-52.3-159.5-172.7-147.70109E199K194-E199 HydrophobicContact CD-CG 4.31Å; K194-E199 WeakPolarHBondContact CD-OE1 3.39Å; K194-E199 WeakPolarHBondContact CE-OE1 3.33Å; K194-E199 HydrophobicContact CG-CG 4.03Å; K194-E199 IonicContact NZ-OE1 2.74Å; K194-E199 PolarHBondContact NZ-OE1 2.04Å
195S93.3Very high93.6Very high64 Ų6450.6 Ų50.645%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-106.5171.3170.6-170.30000109.7T197 G198S195-T197 PolarHBondContact O-N 2.73Å; S195-G198 PolarHBondContact N-O 2.93Å; S195-G198 PolarHBondContact O-N 2.89Å
196S94.8Very high93.9Very high126 Ų12651.8 Ų51.888%0.88129%0.29SS*.THydrogen-bonded Turntrans-60.6-27.5173.353.10000113
197T93.9Very high94.1Very high96 Ų9648.8 Ų48.859%0.58928%0.276SS*.THydrogen-bonded Turntrans-86.9-17.7-179.252.70000114S195 Y200S195-T197 PolarHBondContact O-N 2.73Å; T197-Y200 VanDerWaalsContact OG1-CE2 3.3Å; T197-Y200 WeakPolarHBondContact OG1-CE2 3.29Å; T197-Y200 PolarHBondContact OG1-OH 2.84Å
198G94.6Very high94.2Very high23 Ų2348 Ų4824%0.23727%0.268CS..EExtended strand (participates in β ladder)trans152.2-173.8-176.500000113.6S195 Y200S195-G198 PolarHBondContact N-O 2.93Å; S195-G198 PolarHBondContact O-N 2.89Å; G198-Y200 WeakPolarHBondContact O-CD2 3.38Å; G198-Y200 WeakPolarHBondContact O-CE2 3.39Å
199E96.7Very high94.2Very high72 Ų7246.5 Ų46.534%0.33626%0.259SS..EExtended strand (participates in β ladder)trans-95.3132.3175.7-56.7-165.9166.200110.9T153 K154 T192 K194T153-E199 CarbonylContact C-O 3.53Å; T153-E199 WeakPolarHBondContact CA-O 3.4Å; K154-E199 WeakPolarHBondContact CB-O 3.05Å; K154-E199 PolarHBondContact N-O 2.82Å; T192-E199 HydrophobicContact CG2-CB 4.17Å; K194-E199 HydrophobicContact CD-CG 4.31Å; K194-E199 WeakPolarHBondContact CD-OE1 3.39Å; K194-E199 WeakPolarHBondContact CE-OE1 3.33Å; K194-E199 HydrophobicContact CG-CG 4.03Å; K194-E199 IonicContact NZ-OE1 2.74Å; K194-E199 PolarHBondContact NZ-OE1 2.04Å
200Y96.6Very high94.3Very high24 Ų2448.3 Ų48.39%0.09426%0.26CS..EExtended strand (participates in β ladder)trans-121144.5-177.3-64.9-93.9000111Y150 Y152 T153 T192 I193 T197 G198Y150-Y200 WeakPolarHBondContact O-CE1 3.26Å; Y152-Y200 WeakPolarHBondContact O-CD1 3.3Å; Y152-Y200 VanDerWaalsContact O-CE1 3.29Å; Y152-Y200 WeakPolarHBondContact O-CE1 3.31Å; T153-Y200 HydrophobicContact CG2-CE1 4.28Å; T192-Y200 WeakPolarHBondContact CA-O 3.05Å; I193-Y200 PolarHBondContact N-O 3.32Å; I193-Y200 PolarHBondContact O-N 3.44Å; T197-Y200 VanDerWaalsContact OG1-CE2 3.3Å; T197-Y200 WeakPolarHBondContact OG1-CE2 3.29Å; T197-Y200 PolarHBondContact OG1-OH 2.84Å; G198-Y200 WeakPolarHBondContact O-CD2 3.38Å; G198-Y200 WeakPolarHBondContact O-CE2 3.39Å
201T95.9Very high94.4Very high3 Ų344.1 Ų44.12%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-83.7124.1170.5-60.50000109.4T158 K190 M203T158-T201 PolarHBondContact OG1-OG1 3.18Å; K190-T201 HydrophobicContact CD-CG2 4.2Å; K190-T201 VanDerWaalsContact CE-CG2 3.48Å; K190-T201 HydrophobicContact CG-CG2 4.21Å; T201-M203 HydrophobicContact CG2-SD 4.22Å
202V96.6Very high94.4Very high0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-118.9124.8178.1-177.90000109.5H92 K146 E191 I193 T204H92-V202 VanDerWaalsContact NE2-CG2 3.34Å; H92-V202 WeakPolarHBondContact NE2-CG2 3.27Å; K146-V202 HydrophobicContact CB-CG1 4.03Å; E191-V202 PolarHBondContact N-O 2.87Å; E191-V202 PolarHBondContact O-N 3.49Å; E191-V202 VanDerWaalsContact O-O 3.13Å; I193-V202 HydrophobicContact CB-CG2 4.11Å; I193-V202 HydrophobicContact CD1-CB 4.13Å; I193-V202 HydrophobicContact CD1-CG1 4.28Å; I193-V202 HydrophobicContact CD1-CG2 3.64Å; I193-V202 HydrophobicContact CG1-CB 4.22Å; I193-V202 HydrophobicContact CG1-CG2 3.7Å; V202-T204 HydrophobicContact CG1-CG2 4.22Å
203M95.3Very high94.3Very high0 Ų044.3 Ų44.30%024%0.238CC..EExtended strand (participates in β ladder)trans-88.6134.5173.8-55.5-54.3-62.600108.5K146 F147 Y159 W161 K190 T201K146-M203 WeakPolarHBondContact CA-O 3.42Å; F147-M203 HydrophobicContact CD1-CB 4.32Å; F147-M203 HydrophobicContact CD2-CB 3.93Å; F147-M203 HydrophobicContact CD2-CG 4.24Å; F147-M203 HydrophobicContact CE1-CB 3.88Å; F147-M203 HydrophobicContact CE2-CB 3.43Å; F147-M203 VanDerWaalsContact CE2-CB 3.43Å; F147-M203 HydrophobicContact CE2-CG 3.64Å; F147-M203 HydrophobicContact CG-CB 4.35Å; F147-M203 HydrophobicContact CZ-CB 3.41Å; F147-M203 VanDerWaalsContact CZ-CB 3.41Å; F147-M203 HydrophobicContact CZ-CG 4.02Å; F147-M203 PolarHBondContact N-O 3.39Å; F147-M203 PolarHBondContact O-N 2.94Å; Y159-M203 VanDerWaalsContact CB-CG 3.43Å; Y159-M203 WeakPolarHBondContact CB-SD 3.41Å; Y159-M203 HydrophobicContact CG-CG 4.2Å; W161-M203 HydrophobicContact CD2-CE 3.54Å; W161-M203 HydrophobicContact CE3-CE 4.39Å; W161-M203 HydrophobicContact CG-CE 3.55Å; W161-M203 HydrophobicContact CH2-CB 4.49Å; W161-M203 HydrophobicContact CZ2-CB 4.09Å; W161-M203 HydrophobicContact CZ2-CE 3.95Å; K190-M203 HydrophobicContact CB-CE 4.43Å; K190-M203 HydrophobicContact CB-SD 4.37Å; K190-M203 HydrophobicContact CD-SD 4.28Å; K190-M203 HydrophobicContact CG-SD 4.17Å; T201-M203 HydrophobicContact CG2-SD 4.22Å
204T94.4Very high94.1Very high2 Ų243.2 Ų43.21%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-124133.9-178.156.80000110.6K146 V188 G189 E191 V202K146-T204 HydrophobicContact CB-CG2 4.44Å; K146-T204 HydrophobicContact CD-CG2 3.89Å; K146-T204 HydrophobicContact CG-CG2 3.83Å; V188-T204 CarbonylContact C-O 3.55Å; V188-T204 WeakPolarHBondContact CA-O 3.3Å; G189-T204 WeakPolarHBondContact CA-OG1 3.16Å; G189-T204 PolarHBondContact N-O 3.12Å; G189-T204 PolarHBondContact O-N 2.85Å; G189-T204 VanDerWaalsContact O-N 3.16Å; E191-T204 HydrophobicContact CB-CG2 4.45Å; E191-T204 HydrophobicContact CG-CG2 4.06Å; V202-T204 HydrophobicContact CG1-CG2 4.22Å
205A94.6Very high94Very high1 Ų141.8 Ų41.81%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-126.5120.5169.400000108.5P144 L145 V169 T187 V188P144-A205 CarbonylContact C-O 3.55Å; P144-A205 WeakPolarHBondContact CA-O 3.42Å; L145-A205 HydrophobicContact CB-CB 4.43Å; L145-A205 PolarHBondContact N-O 3.27Å; L145-A205 PolarHBondContact O-N 2.85Å; V169-A205 HydrophobicContact CG1-CB 4.5Å; V169-A205 HydrophobicContact CG2-CB 4.05Å; T187-A205 CarbonylContact O-C 3.54Å; T187-A205 WeakPolarHBondContact O-CA 3.24Å; V188-A205 HydrophobicContact CG1-CB 4.16Å
206H94.3Very high94Very high45 Ų4539.8 Ų39.821%0.20822%0.217CC..EExtended strand (participates in β ladder)trans-100123.3179.6-75.9-85.6000109.3S142 C143 Q186 T187S142-H206 WeakPolarHBondContact OG-CB 3.31Å; S142-H206 PolarHBondContact OG-ND1 3.19Å; S142-H206 VanDerWaalsContact OG-ND1 3.1Å; C143-H206 WeakPolarHBondContact O-CA 3.31Å; Q186-H206 CarbonylContact C-O 3.59Å; Q186-H206 WeakPolarHBondContact CA-O 3.44Å; T187-H206 PolarHBondContact N-O 2.7Å; T187-H206 PolarHBondContact O-N 3.08Å; T187-H206 VanDerWaalsContact OG1-CB 3.28Å; T187-H206 WeakPolarHBondContact OG1-CB 3.31Å
207F93.9Very high94Very high0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-99118173.8-61.9-72.8000109.3V37 F40 Y50 C143 L145 V169 V171 L183 Q186 L209V37-F207 HydrophobicContact CG2-CE1 4.04Å; V37-F207 HydrophobicContact CG2-CZ 3.91Å; F40-F207 HydrophobicContact CD2-CD1 4.48Å; F40-F207 HydrophobicContact CD2-CG 4.47Å; F40-F207 HydrophobicContact CE2-CB 3.87Å; F40-F207 HydrophobicContact CE2-CD1 4.13Å; F40-F207 AromaticContact CE2-CD2 3.87Å; F40-F207 HydrophobicContact CE2-CD2 3.87Å; F40-F207 HydrophobicContact CE2-CE2 4.43Å; F40-F207 AromaticContact CE2-CG 3.68Å; F40-F207 HydrophobicContact CE2-CG 3.68Å; F40-F207 HydrophobicContact CZ-CB 4.33Å; Y50-F207 HydrophobicContact CE2-CD2 4.22Å; C143-F207 PolarHBondContact N-O 3.05Å; C143-F207 PolarHBondContact O-N 3.46Å; L145-F207 HydrophobicContact CB-CE2 3.99Å; L145-F207 HydrophobicContact CD2-CE2 4.26Å; V169-F207 HydrophobicContact CG1-CE1 4.16Å; V169-F207 HydrophobicContact CG1-CZ 4.26Å; V171-F207 HydrophobicContact CG2-CE1 4.35Å; L183-F207 HydrophobicContact CD1-CB 4.08Å; L183-F207 HydrophobicContact CD1-CD1 4.3Å; Q186-F207 HydrophobicContact CB-CD1 4.08Å; Q186-F207 HydrophobicContact CB-CE1 4.32Å; F207-L209 PolarHBondContact O-N 3.43Å
208H93.6Very high93.9Very high45 Ų4537.7 Ų37.721%0.20819%0.192CC..EExtended strand (participates in β ladder)trans-86.2111.9-179.7-60.7-75.8000109.8H141 V184 G185 T187H141-H208 WeakPolarHBondContact O-CA 3.1Å; V184-H208 HydrophobicContact CB-CB 4.33Å; V184-H208 PolarHBondContact N-O 2.84Å; G185-H208 PolarHBondContact O-N 3.29Å; T187-H208 VanDerWaalsContact CG2-NE2 3.26Å; T187-H208 WeakPolarHBondContact CG2-NE2 3.2Å; T187-H208 PolarHBondContact OG1-NE2 3.48Å
209L93.1Very high93.8Very high1 Ų140.3 Ų40.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-109.3134-178.9-59.8178.4000109.8F40 V43 S140 H141 C143 L178 Y181 D182 L183 F207F40-L209 HydrophobicContact CE1-CD1 4.2Å; F40-L209 HydrophobicContact CE1-CD2 4.1Å; F40-L209 HydrophobicContact CZ-CD1 4.14Å; F40-L209 HydrophobicContact CZ-CD2 4.11Å; V43-L209 HydrophobicContact CG2-CD1 3.81Å; S140-L209 WeakPolarHBondContact CA-O 3.35Å; H141-L209 PolarHBondContact N-O 3.18Å; H141-L209 PolarHBondContact O-N 3.46Å; C143-L209 HydrophobicContact CB-CD1 4.46Å; L178-L209 HydrophobicContact CD1-CD2 3.8Å; Y181-L209 HydrophobicContact CD1-CB 3.86Å; Y181-L209 HydrophobicContact CE1-CB 4.37Å; Y181-L209 HydrophobicContact CG-CB 4.43Å; D182-L209 WeakPolarHBondContact O-CA 3.22Å; L183-L209 HydrophobicContact CB-CD2 4.37Å; L183-L209 HydrophobicContact CD1-CD2 3.82Å; F207-L209 PolarHBondContact O-N 3.43Å
210K91.9Very high93.6Very high63 Ų6337.2 Ų37.227%0.27418%0.184SC..EExtended strand (participates in β ladder)trans-118.9130.8173.2-177.8177-179.5-178.80110.2Y181 D182 V184 E406Y181-K210 CarbonylContact C-O 3.54Å; Y181-K210 VanDerWaalsContact CA-O 3.27Å; Y181-K210 WeakPolarHBondContact CA-O 3.36Å; D182-K210 PolarHBondContact N-O 2.84Å; D182-K210 PolarHBondContact O-N 2.73Å; V184-K210 HydrophobicContact CG2-CB 3.71Å; K210-E406 WeakPolarHBondContact CE-OE1 3.27Å; K210-E406 WeakPolarHBondContact CE-OE2 3.24Å; K210-E406 IonicContact NZ-OE1 3.51Å; K210-E406 PolarHBondContact NZ-OE1 2.86Å; K210-E406 IonicContact NZ-OE2 3.9Å; K210-E406 PolarHBondContact NZ-OE2 3.48Å
211R93.3Very high93.5Very high9 Ų936.2 Ų36.23%0.03418%0.18CC..EExtended strand (participates in β ladder)trans-75.9142.4-178.8-167.2-179.7-62.2-89.311.2111.9D45 D139 Y181 F216D45-R211 IonicContact OD1-CZ 3.43Å; D45-R211 IonicContact OD1-NH1 3.77Å; D45-R211 PolarHBondContact OD1-NH1 3.5Å; D45-R211 IonicContact OD1-NH2 3.3Å; D45-R211 PolarHBondContact OD1-NH2 2.96Å; D45-R211 IonicContact OD2-CZ 2.91Å; D45-R211 IonicContact OD2-NH1 3.81Å; D45-R211 PolarHBondContact OD2-NH1 2.97Å; D45-R211 IonicContact OD2-NH2 2.73Å; D45-R211 PolarHBondContact OD2-NH2 2.93Å; D139-R211 PolarHBondContact O-N 3.15Å; D139-R211 VanDerWaalsContact OD1-CB 3.28Å; D139-R211 WeakPolarHBondContact OD1-CB 3.15Å; D139-R211 WeakPolarHBondContact OD1-CD 3.5Å; D139-R211 IonicContact OD1-CZ 3.99Å; D139-R211 IonicContact OD1-NE 3.81Å; D139-R211 PolarHBondContact OD1-NE 3.19Å; D139-R211 IonicContact OD2-NE 3.39Å; D139-R211 IonicContact OD2-NH2 2.87Å; Y181-R211 HydrophobicContact CD1-CB 4.07Å; Y181-R211 HydrophobicContact CE1-CB 3.85Å; Y181-R211 HydrophobicContact CE1-CG 4.32Å; Y181-R211 PolarHBondContact OH-NH1 3.45Å; Y181-R211 PolarHBondContact OH-NH2 3.08Å; R211-F216 HydrophobicContact CG-CE2 4.38Å
212K92.1Very high93.5Very high82 Ų8239.7 Ų39.736%0.35720%0.198SC..  trans-81.2115.2172.4-69.5176.4179.7163.10110.5Q180 D182Q180-K212 PolarHBondContact O-N 3.08Å; D182-K212 WeakPolarHBondContact OD1-CE 3.38Å; D182-K212 IonicContact OD1-NZ 3.59Å; D182-K212 PolarHBondContact OD1-NZ 2.9Å; D182-K212 WeakPolarHBondContact OD2-CE 3.44Å
213I92.2Very high93.5Very high52 Ų5241.2 Ų41.227%0.26721%0.209SC..  trans-75.1-23.4-176.9-172.354.3000114.3P137 M138 Y215 F216 V217 Y221P137-I213 HydrophobicContact CB-CD1 4.26Å; P137-I213 HydrophobicContact CG-CD1 3.54Å; M138-I213 HydrophobicContact CE-CD1 4.35Å; M138-I213 HydrophobicContact CG-CD1 3.86Å; M138-I213 HydrophobicContact CG-CG1 4.3Å; I213-Y215 VanDerWaalsContact C-N 3.34Å; I213-Y215 PolarHBondContact O-N 3.44Å; I213-F216 HydrophobicContact CD1-CB 4.44Å; I213-F216 PolarHBondContact O-N 3.25Å; I213-F216 VanDerWaalsContact O-N 3.16Å; I213-V217 HydrophobicContact CD1-CG2 4.39Å; I213-V217 HydrophobicContact CG1-CG2 3.86Å; I213-V217 PolarHBondContact O-N 3.36Å; I213-V217 VanDerWaalsContact O-N 3.16Å; I213-Y221 HydrophobicContact CD1-CE2 4.41Å
214G91.3Very high93.5Very high40 Ų4041.2 Ų41.241%0.41221%0.209SC..Hα-helixtrans-58.5-37.6-167.100000115.2V217 I218G214-V217 PolarHBondContact O-N 2.76Å; G214-I218 PolarHBondContact O-N 2.86Å
215Y91.8Very high93.6Very high130 Ų13043.2 Ų43.251%0.5122%0.219SC..Hα-helixtrans-63.3-47.9177.7174.5-100.6000112I213 V217 I218 Q219I213-Y215 VanDerWaalsContact C-N 3.34Å; I213-Y215 PolarHBondContact O-N 3.44Å; Y215-V217 VanDerWaalsContact C-N 3.3Å; Y215-V217 PolarHBondContact O-N 3.12Å; Y215-I218 PolarHBondContact O-N 3.48Å; Y215-Q219 VanDerWaalsContact CZ-CD 3.49Å; Y215-Q219 WeakPolarHBondContact O-CB 3.36Å; Y215-Q219 PolarHBondContact O-N 3.22Å; Y215-Q219 PolarHBondContact OH-NE2 3.47Å; Y215-Q219 PolarHBondContact OH-OE1 2.88Å
216F92.8Very high93.7Very high22 Ų2248 Ų4810%0.09624%0.242CC..Hα-helixtrans-66.6-32.3-179.7-61.2-77.7000112.3F136 P137 R211 I213 T220 Y221F136-F216 HydrophobicContact CE1-CD1 4.27Å; F136-F216 AromaticContact CE1-CE1 3.88Å; F136-F216 HydrophobicContact CE1-CE1 3.88Å; F136-F216 HydrophobicContact CE1-CZ 4.28Å; F136-F216 HydrophobicContact CE2-CE1 4.38Å; F136-F216 HydrophobicContact CE2-CZ 4Å; F136-F216 HydrophobicContact CZ-CD1 4.18Å; F136-F216 AromaticContact CZ-CE1 3.38Å; F136-F216 HydrophobicContact CZ-CE1 3.38Å; F136-F216 HydrophobicContact CZ-CE2 4.28Å; F136-F216 AromaticContact CZ-CZ 3.43Å; F136-F216 HydrophobicContact CZ-CZ 3.43Å; F136-F216 VanDerWaalsContact CZ-CZ 3.43Å; P137-F216 HydrophobicContact CB-CB 4.4Å; P137-F216 HydrophobicContact CB-CD1 4.33Å; P137-F216 HydrophobicContact CB-CD2 3.44Å; P137-F216 VanDerWaalsContact CB-CD2 3.44Å; P137-F216 HydrophobicContact CB-CE2 3.69Å; P137-F216 HydrophobicContact CB-CG 3.79Å; P137-F216 HydrophobicContact CB-CZ 4.24Å; P137-F216 HydrophobicContact CG-CB 3.73Å; P137-F216 HydrophobicContact CG-CD1 4.25Å; P137-F216 HydrophobicContact CG-CD2 3.75Å; P137-F216 HydrophobicContact CG-CE2 4.45Å; P137-F216 HydrophobicContact CG-CG 3.63Å; R211-F216 HydrophobicContact CG-CE2 4.38Å; I213-F216 HydrophobicContact CD1-CB 4.44Å; I213-F216 PolarHBondContact O-N 3.25Å; I213-F216 VanDerWaalsContact O-N 3.16Å; F216-T220 WeakPolarHBondContact O-CA 3.38Å; F216-T220 WeakPolarHBondContact O-CB 3.43Å; F216-T220 PolarHBondContact O-N 2.89Å; F216-Y221 HydrophobicContact CB-CD2 4.35Å; F216-Y221 HydrophobicContact CB-CE2 4.15Å; F216-Y221 WeakPolarHBondContact O-CD2 3.34Å; F216-Y221 PolarHBondContact O-N 3.2Å; F216-Y221 VanDerWaalsContact O-N 3.07Å
217V94.1Very high93.8Very high52 Ų5246.3 Ų46.332%0.31524%0.235SC..Iπ-helixtrans-60.3-48.7175.2172.10000111I213 G214 Y215 Y221 L222 W399I213-V217 HydrophobicContact CD1-CG2 4.39Å; I213-V217 HydrophobicContact CG1-CG2 3.86Å; I213-V217 PolarHBondContact O-N 3.36Å; I213-V217 VanDerWaalsContact O-N 3.16Å; G214-V217 PolarHBondContact O-N 2.76Å; Y215-V217 VanDerWaalsContact C-N 3.3Å; Y215-V217 PolarHBondContact O-N 3.12Å; V217-Y221 HydrophobicContact CG2-CD2 4.45Å; V217-L222 VanDerWaalsContact O-CB 3.25Å; V217-L222 WeakPolarHBondContact O-CB 3.43Å; V217-L222 PolarHBondContact O-N 3.24Å; V217-W399 HydrophobicContact CG2-CH2 4.34Å
218I93.5Very high93.9Very high125 Ų12546.3 Ų46.364%0.64124%0.235SC*.Iπ-helixtrans-74.9-40.2-176.7-63.1170.9000111.2G214 Y215 P223G214-I218 PolarHBondContact O-N 2.86Å; Y215-I218 PolarHBondContact O-N 3.48Å; I218-P223 VanDerWaalsContact O-CD 3.22Å; I218-P223 WeakPolarHBondContact O-CD 3.38Å
219Q90.9Very high94Very high79 Ų7948.2 Ų48.237%0.36925%0.246SC..Iπ-helixtrans-85.6-31.1-172.9-162.9-176.138.200113.9Y215 P223Y215-Q219 VanDerWaalsContact CZ-CD 3.49Å; Y215-Q219 WeakPolarHBondContact O-CB 3.36Å; Y215-Q219 PolarHBondContact O-N 3.22Å; Y215-Q219 PolarHBondContact OH-NE2 3.47Å; Y215-Q219 PolarHBondContact OH-OE1 2.88Å; Q219-P223 WeakPolarHBondContact O-CG 3.25Å
220T93.1Very high94Very high7 Ų752.6 Ų52.64%0.04327%0.269CS..Iπ-helixtrans-118.5-60.7-172.5-50.10000111.8F216 P223 C224 A263 M276 I280F216-T220 WeakPolarHBondContact O-CA 3.38Å; F216-T220 WeakPolarHBondContact O-CB 3.43Å; F216-T220 PolarHBondContact O-N 2.89Å; T220-P223 WeakPolarHBondContact O-CD 3.36Å; T220-C224 WeakPolarHBondContact O-CB 3.24Å; T220-C224 PolarHBondContact O-N 3.16Å; T220-C224 VanDerWaalsContact O-N 3.08Å; T220-C224 PolarHBondContact O-SG 3.41Å; T220-A263 HydrophobicContact CG2-CB 3.92Å; T220-M276 HydrophobicContact CG2-CG 4.42Å; T220-M276 HydrophobicContact CG2-SD 4.14Å; T220-I280 HydrophobicContact CG2-CD1 4.11Å
221Y95.3Very high94.1Very high2 Ų249.7 Ų49.71%0.00826%0.256CS..Iπ-helixtrans-64.6-48-171.6-69.3-84000112.6P137 M138 I213 F216 V217 C224 I225 F279 Y398 W399P137-Y221 VanDerWaalsContact CD-OH 3.27Å; P137-Y221 WeakPolarHBondContact CD-OH 3.38Å; P137-Y221 HydrophobicContact CG-CE2 4.13Å; M138-Y221 WeakPolarHBondContact CE-OH 3.34Å; I213-Y221 HydrophobicContact CD1-CE2 4.41Å; F216-Y221 HydrophobicContact CB-CD2 4.35Å; F216-Y221 HydrophobicContact CB-CE2 4.15Å; F216-Y221 WeakPolarHBondContact O-CD2 3.34Å; F216-Y221 PolarHBondContact O-N 3.2Å; F216-Y221 VanDerWaalsContact O-N 3.07Å; V217-Y221 HydrophobicContact CG2-CD2 4.45Å; Y221-C224 PolarHBondContact O-N 3.16Å; Y221-I225 WeakPolarHBondContact O-CB 3.34Å; Y221-I225 VanDerWaalsContact O-CG1 3.24Å; Y221-I225 WeakPolarHBondContact O-CG1 3.26Å; Y221-I225 PolarHBondContact O-N 2.72Å; Y221-F279 AromaticContact CD1-CD1 3.53Å; Y221-F279 HydrophobicContact CD1-CD1 3.53Å; Y221-F279 HydrophobicContact CD1-CD2 4.09Å; Y221-F279 AromaticContact CD1-CE1 3.51Å; Y221-F279 HydrophobicContact CD1-CE1 3.51Å; Y221-F279 HydrophobicContact CD1-CE2 4.07Å; Y221-F279 AromaticContact CD1-CG 3.83Å; Y221-F279 HydrophobicContact CD1-CG 3.83Å; Y221-F279 AromaticContact CD1-CZ 3.79Å; Y221-F279 HydrophobicContact CD1-CZ 3.79Å; Y221-F279 HydrophobicContact CE1-CB 4.02Å; Y221-F279 AromaticContact CE1-CD1 3.71Å; Y221-F279 HydrophobicContact CE1-CD1 3.71Å; Y221-F279 AromaticContact CE1-CD2 4Å; Y221-F279 HydrophobicContact CE1-CD2 4Å; Y221-F279 HydrophobicContact CE1-CE1 4.16Å; Y221-F279 HydrophobicContact CE1-CE2 4.42Å; Y221-F279 AromaticContact CE1-CG 3.62Å; Y221-F279 HydrophobicContact CE1-CG 3.62Å; Y221-F279 HydrophobicContact CG-CE1 4.42Å; Y221-Y398 HydrophobicContact CD1-CE1 4.47Å; Y221-Y398 AromaticContact CE1-CE1 3.66Å; Y221-Y398 HydrophobicContact CE1-CE1 3.66Å; Y221-Y398 AromaticContact CE1-CZ 3.89Å; Y221-Y398 WeakPolarHBondContact CE1-OH 3.28Å; Y221-Y398 PolarHBondContact OH-OH 3.1Å; Y221-W399 AromaticContact CD1-CH2 3.77Å; Y221-W399 HydrophobicContact CD1-CH2 3.77Å; Y221-W399 AromaticContact CD1-CZ2 3.65Å; Y221-W399 HydrophobicContact CD1-CZ2 3.65Å; Y221-W399 HydrophobicContact CD2-CH2 4.02Å; Y221-W399 HydrophobicContact CE1-CH2 4.01Å; Y221-W399 HydrophobicContact CE1-CZ2 4.19Å; Y221-W399 HydrophobicContact CE2-CH2 4.25Å; Y221-W399 AromaticContact CG-CH2 3.79Å; Y221-W399 HydrophobicContact CG-CH2 3.79Å; Y221-W399 AromaticContact CG-CZ2 3.9Å; Y221-W399 HydrophobicContact CG-CZ2 3.9Å
222L95.6Very high94.1Very high76 Ų7650.1 Ų50.140%0.39826%0.259SS..Hα-helixtrans-63.9-47.8-178.1179.4158000112.1V217 C224 I225 M226V217-L222 VanDerWaalsContact O-CB 3.25Å; V217-L222 WeakPolarHBondContact O-CB 3.43Å; V217-L222 PolarHBondContact O-N 3.24Å; L222-C224 VanDerWaalsContact C-N 3.34Å; L222-C224 PolarHBondContact O-N 3.39Å; L222-I225 PolarHBondContact O-N 2.86Å; L222-M226 HydrophobicContact CD1-CE 4.38Å; L222-M226 HydrophobicContact CD2-CE 3.43Å; L222-M226 VanDerWaalsContact CD2-CE 3.43Å; L222-M226 HydrophobicContact CD2-CG 4.22Å; L222-M226 HydrophobicContact CD2-SD 3.5Å; L222-M226 WeakPolarHBondContact CD2-SD 3.42Å; L222-M226 HydrophobicContact CG-CE 3.94Å; L222-M226 HydrophobicContact CG-SD 4.39Å; L222-M226 WeakPolarHBondContact O-CB 3.28Å; L222-M226 VanDerWaalsContact O-CG 3.32Å; L222-M226 WeakPolarHBondContact O-CG 3.29Å; L222-M226 PolarHBondContact O-N 2.87Å
223P96.3Very high94.2Very high33 Ų3349.3 Ų49.321%0.21426%0.261CS..Hα-helixtrans-59.7-38.8173.3-29.238.3000113.8I218 Q219 T220 T227 L259I218-P223 VanDerWaalsContact O-CD 3.22Å; I218-P223 WeakPolarHBondContact O-CD 3.38Å; Q219-P223 WeakPolarHBondContact O-CG 3.25Å; T220-P223 WeakPolarHBondContact O-CD 3.36Å; P223-T227 WeakPolarHBondContact O-CB 3.41Å; P223-T227 PolarHBondContact O-N 2.81Å; P223-T227 PolarHBondContact O-OG1 2.69Å; P223-L259 HydrophobicContact CB-CD1 3.84Å; P223-L259 HydrophobicContact CB-CD2 3.93Å
224C96.2Very high94.1Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-64.7-47.1175.6-75.30000111.8T220 Y221 L222 M226 T227 V228 M256 F279T220-C224 WeakPolarHBondContact O-CB 3.24Å; T220-C224 PolarHBondContact O-N 3.16Å; T220-C224 VanDerWaalsContact O-N 3.08Å; T220-C224 PolarHBondContact O-SG 3.41Å; Y221-C224 PolarHBondContact O-N 3.16Å; L222-C224 VanDerWaalsContact C-N 3.34Å; L222-C224 PolarHBondContact O-N 3.39Å; C224-M226 PolarHBondContact O-N 3.38Å; C224-T227 PolarHBondContact O-N 2.74Å; C224-V228 WeakPolarHBondContact O-CG2 3.44Å; C224-V228 PolarHBondContact O-N 3.42Å; C224-M256 HydrophobicContact CB-CE 4.39Å; C224-M256 HydrophobicContact CB-SD 4.43Å; C224-F279 HydrophobicContact CB-CE1 3.95Å
225I96.6Very high94.1Very high43 Ų4345.3 Ų45.322%0.22123%0.231CC..Hα-helixtrans-59.3-46.9176.4-70.5166.1000110.5Y221 L222 T227 V228 I229 F279 F391Y221-I225 WeakPolarHBondContact O-CB 3.34Å; Y221-I225 VanDerWaalsContact O-CG1 3.24Å; Y221-I225 WeakPolarHBondContact O-CG1 3.26Å; Y221-I225 PolarHBondContact O-N 2.72Å; L222-I225 PolarHBondContact O-N 2.86Å; I225-T227 VanDerWaalsContact C-N 3.32Å; I225-T227 PolarHBondContact O-N 3.08Å; I225-V228 PolarHBondContact O-N 3.17Å; I225-I229 HydrophobicContact CG2-CD1 3.79Å; I225-I229 VanDerWaalsContact O-CG1 3.32Å; I225-I229 WeakPolarHBondContact O-CG1 3.25Å; I225-I229 PolarHBondContact O-N 3.34Å; I225-F279 HydrophobicContact CD1-CZ 4.15Å; I225-F279 HydrophobicContact CG1-CE1 4.45Å; I225-F279 HydrophobicContact CG1-CZ 3.8Å; I225-F391 HydrophobicContact CG1-CE1 4.45Å; I225-F391 HydrophobicContact CG1-CZ 4.14Å; I225-F391 HydrophobicContact CG2-CE1 4.22Å
226M95.8Very high94Very high102 Ų10247 Ų4750%0.50224%0.236SC..Hα-helixtrans-61.6-40.1177.3-73-174.9173.400112L222 C224 I229 L230L222-M226 HydrophobicContact CD1-CE 4.38Å; L222-M226 HydrophobicContact CD2-CE 3.43Å; L222-M226 VanDerWaalsContact CD2-CE 3.43Å; L222-M226 HydrophobicContact CD2-CG 4.22Å; L222-M226 HydrophobicContact CD2-SD 3.5Å; L222-M226 WeakPolarHBondContact CD2-SD 3.42Å; L222-M226 HydrophobicContact CG-CE 3.94Å; L222-M226 HydrophobicContact CG-SD 4.39Å; L222-M226 WeakPolarHBondContact O-CB 3.28Å; L222-M226 VanDerWaalsContact O-CG 3.32Å; L222-M226 WeakPolarHBondContact O-CG 3.29Å; L222-M226 PolarHBondContact O-N 2.87Å; C224-M226 PolarHBondContact O-N 3.38Å; M226-I229 PolarHBondContact O-N 2.88Å; M226-L230 WeakPolarHBondContact O-CB 3.26Å; M226-L230 VanDerWaalsContact O-CG 3.28Å; M226-L230 WeakPolarHBondContact O-CG 3.48Å; M226-L230 PolarHBondContact O-N 3.44Å
227T95.7Very high93.8Very high10 Ų1048 Ų486%0.06124%0.242CC..Hα-helixtrans-64.8-40177.7-57.30000111.8P223 C224 I225 L230 S231 T252 T255P223-T227 WeakPolarHBondContact O-CB 3.41Å; P223-T227 PolarHBondContact O-N 2.81Å; P223-T227 PolarHBondContact O-OG1 2.69Å; C224-T227 PolarHBondContact O-N 2.74Å; I225-T227 VanDerWaalsContact C-N 3.32Å; I225-T227 PolarHBondContact O-N 3.08Å; T227-L230 PolarHBondContact O-N 2.96Å; T227-S231 PolarHBondContact O-N 3.29Å; T227-T252 HydrophobicContact CG2-CG2 4.42Å; T227-T255 HydrophobicContact CG2-CG2 4.26Å
228V96.6Very high93.4Very high0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-66.9-41.3174.5175.20000111.3C224 I225 L230 S231 Q232 C283 F286 V287 F391C224-V228 WeakPolarHBondContact O-CG2 3.44Å; C224-V228 PolarHBondContact O-N 3.42Å; I225-V228 PolarHBondContact O-N 3.17Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 2.95Å; V228-S231 PolarHBondContact O-N 3.3Å; V228-S231 PolarHBondContact O-OG 2.99Å; V228-Q232 WeakPolarHBondContact O-CG 3.37Å; V228-Q232 PolarHBondContact O-N 3.43Å; V228-C283 HydrophobicContact CG2-CB 3.71Å; V228-F286 HydrophobicContact CG1-CB 4.03Å; V228-V287 HydrophobicContact CG2-CG2 4.03Å; V228-F391 HydrophobicContact CB-CE1 4.07Å; V228-F391 HydrophobicContact CB-CE2 4.22Å; V228-F391 HydrophobicContact CB-CZ 3.88Å; V228-F391 HydrophobicContact CG1-CD1 3.87Å; V228-F391 HydrophobicContact CG1-CD2 3.86Å; V228-F391 HydrophobicContact CG1-CE1 3.85Å; V228-F391 HydrophobicContact CG1-CE2 3.86Å; V228-F391 HydrophobicContact CG1-CG 3.87Å; V228-F391 HydrophobicContact CG1-CZ 3.84Å; V228-F391 HydrophobicContact CG2-CE2 4.11Å; V228-F391 HydrophobicContact CG2-CZ 4.06Å
229I95.5Very high92.8Very high85 Ų8546.4 Ų46.444%0.43623%0.231SC..Hα-helixtrans-62.4-43.6175.2-67.6167.6000110.2I225 M226 S231 Q232 V233I225-I229 HydrophobicContact CG2-CD1 3.79Å; I225-I229 VanDerWaalsContact O-CG1 3.32Å; I225-I229 WeakPolarHBondContact O-CG1 3.25Å; I225-I229 PolarHBondContact O-N 3.34Å; M226-I229 PolarHBondContact O-N 2.88Å; I229-S231 VanDerWaalsContact C-N 3.32Å; I229-S231 PolarHBondContact O-N 3.39Å; I229-Q232 WeakPolarHBondContact O-CB 3.24Å; I229-Q232 PolarHBondContact O-N 2.97Å; I229-Q232 VanDerWaalsContact O-N 3.11Å; I229-V233 WeakPolarHBondContact O-CG2 3.32Å; I229-V233 PolarHBondContact O-N 3.33Å
230L93.4Very high92.3Very high92 Ų9244.2 Ų44.248%0.48222%0.22SC..Hα-helixtrans-61.1-38177.1-76.3172.1000112.6M226 T227 V228 Q232 V233 T252M226-L230 WeakPolarHBondContact O-CB 3.26Å; M226-L230 VanDerWaalsContact O-CG 3.28Å; M226-L230 WeakPolarHBondContact O-CG 3.48Å; M226-L230 PolarHBondContact O-N 3.44Å; T227-L230 PolarHBondContact O-N 2.96Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 2.95Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 3.49Å; L230-V233 PolarHBondContact O-N 2.83Å; L230-T252 HydrophobicContact CB-CG2 4.36Å
231S94.9Very high92Very high2 Ų246.2 Ų46.21%0.01424%0.235CC..Hα-helixtrans-65.4-34.6175.5760000111.8T227 V228 I229 S234T227-S231 PolarHBondContact O-N 3.29Å; V228-S231 PolarHBondContact O-N 3.3Å; V228-S231 PolarHBondContact O-OG 2.99Å; I229-S231 VanDerWaalsContact C-N 3.32Å; I229-S231 PolarHBondContact O-N 3.39Å; S231-S234 VanDerWaalsContact O-CB 3.31Å; S231-S234 WeakPolarHBondContact O-CB 3.27Å; S231-S234 PolarHBondContact O-N 3.02Å; S231-S234 PolarHBondContact O-OG 3.42Å
232Q93.3Very high91.6Very high18 Ų1848.2 Ų48.28%0.08425%0.247CC..Hα-helixtrans-74.3-26.6177.1-64172.58.600113.6V228 I229 L230 S234 F235 F387V228-Q232 WeakPolarHBondContact O-CG 3.37Å; V228-Q232 PolarHBondContact O-N 3.43Å; I229-Q232 WeakPolarHBondContact O-CB 3.24Å; I229-Q232 PolarHBondContact O-N 2.97Å; I229-Q232 VanDerWaalsContact O-N 3.11Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 3.49Å; Q232-S234 PolarHBondContact O-N 2.9Å; Q232-F235 HydrophobicContact CB-CD2 4.25Å; Q232-F235 HydrophobicContact CB-CE2 4.1Å; Q232-F235 HydrophobicContact CG-CE2 4.09Å; Q232-F235 WeakPolarHBondContact O-CB 3.45Å; Q232-F235 WeakPolarHBondContact O-CD2 3.44Å; Q232-F235 WeakPolarHBondContact O-CG 3.36Å; Q232-F235 PolarHBondContact O-N 3.34Å; Q232-F235 VanDerWaalsContact O-N 3.17Å; Q232-F387 HydrophobicContact CG-CB 4.17Å
233V92.6Very high91.4Very high66 Ų6649.2 Ų49.240%0.426%0.258SS..Hα-helixtrans-59.5-27.7173.1171.80000111.1I229 L230 F235 W236I229-V233 WeakPolarHBondContact O-CG2 3.32Å; I229-V233 PolarHBondContact O-N 3.33Å; L230-V233 PolarHBondContact O-N 2.83Å; V233-F235 PolarHBondContact O-N 2.97Å; V233-F235 VanDerWaalsContact O-N 3.14Å; V233-W236 WeakPolarHBondContact O-CB 3.22Å; V233-W236 PolarHBondContact O-N 3.48Å
234S90.1Very high91Very high6 Ų649.4 Ų49.44%0.04226%0.263CS..G310 helixtrans-58.9-25.4177.477.20000114.2S231 Q232 W236 L237 R245S231-S234 VanDerWaalsContact O-CB 3.31Å; S231-S234 WeakPolarHBondContact O-CB 3.27Å; S231-S234 PolarHBondContact O-N 3.02Å; S231-S234 PolarHBondContact O-OG 3.42Å; Q232-S234 PolarHBondContact O-N 2.9Å; S234-W236 PolarHBondContact O-N 2.83Å; S234-L237 PolarHBondContact O-N 3.36Å; S234-R245 PolarHBondContact O-NE 3.31Å
235F91.1Very high90.8Very high1 Ų149.5 Ų49.50%0.00426%0.263CS..G310 helixtrans-69.7-17.8177.5-53.5-37.2000113.6Q232 V233 A290 E293 R384 F387Q232-F235 HydrophobicContact CB-CD2 4.25Å; Q232-F235 HydrophobicContact CB-CE2 4.1Å; Q232-F235 HydrophobicContact CG-CE2 4.09Å; Q232-F235 WeakPolarHBondContact O-CB 3.45Å; Q232-F235 WeakPolarHBondContact O-CD2 3.44Å; Q232-F235 WeakPolarHBondContact O-CG 3.36Å; Q232-F235 PolarHBondContact O-N 3.34Å; Q232-F235 VanDerWaalsContact O-N 3.17Å; V233-F235 PolarHBondContact O-N 2.97Å; V233-F235 VanDerWaalsContact O-N 3.14Å; F235-A290 HydrophobicContact CE1-CB 4.06Å; F235-A290 HydrophobicContact CZ-CB 3.8Å; F235-E293 HydrophobicContact CD1-CG 4.37Å; F235-E293 WeakPolarHBondContact CD1-OE2 3.5Å; F235-E293 HydrophobicContact CE1-CB 4.04Å; F235-E293 HydrophobicContact CE1-CG 3.81Å; F235-E293 VanDerWaalsContact CE1-OE2 3.31Å; F235-E293 WeakPolarHBondContact CE1-OE2 3.46Å; F235-E293 HydrophobicContact CZ-CG 4.44Å; F235-R384 HydrophobicContact CB-CG 3.86Å; F235-R384 VanDerWaalsContact O-CZ 3.32Å; F235-R384 PolarHBondContact O-NE 2.88Å; F235-R384 PolarHBondContact O-NH2 3.5Å; F235-F387 HydrophobicContact CE2-CB 3.86Å; F235-F387 HydrophobicContact CE2-CD1 4.08Å; F235-F387 HydrophobicContact CE2-CD2 4.01Å; F235-F387 AromaticContact CE2-CG 3.74Å; F235-F387 HydrophobicContact CE2-CG 3.74Å; F235-F387 HydrophobicContact CZ-CD1 4Å; F235-F387 HydrophobicContact CZ-CD2 4.14Å; F235-F387 HydrophobicContact CZ-CE1 4.12Å; F235-F387 HydrophobicContact CZ-CE2 4.25Å; F235-F387 HydrophobicContact CZ-CG 4.01Å; F235-F387 HydrophobicContact CZ-CZ 4.24Å
236W90.1Very high90.6Very high166 Ų16650.1 Ų50.163%0.62927%0.269SS*.G310 helixtrans-87.8-13.3176.7-68.389.1000112.7V233 S234 R384V233-W236 WeakPolarHBondContact O-CB 3.22Å; V233-W236 PolarHBondContact O-N 3.48Å; S234-W236 PolarHBondContact O-N 2.83Å; W236-R384 HydrophobicContact CD2-CG 4.5Å; W236-R384 HydrophobicContact CZ2-CG 4.34Å
237L88.8Confident90.4Very high43 Ų4349.6 Ų49.623%0.22527%0.271CS..SBendtrans-72.9146.2175.5-88.373.8000111.1S234 R239 A244 R245 F248S234-L237 PolarHBondContact O-N 3.36Å; L237-R239 PolarHBondContact O-N 3.49Å; L237-A244 HydrophobicContact CD2-CB 3.92Å; L237-R245 HydrophobicContact CB-CG 3.99Å; L237-R245 HydrophobicContact CD2-CG 4.31Å; L237-F248 HydrophobicContact CD2-CD2 4.14Å; L237-F248 HydrophobicContact CD2-CE2 4.08Å
238N85.3Confident90.2Very high109 Ų10953.3 Ų53.358%0.58329%0.287SS*.  trans-58.1132.7173.2-67.7-25.6000109.7E240 S241N238-E240 PolarHBondContact O-N 2.96Å; N238-E240 VanDerWaalsContact O-N 3.09Å; N238-S241 WeakPolarHBondContact O-CB 3.48Å; N238-S241 PolarHBondContact O-N 3.16Å
239R81.6Confident90Very high34 Ų3453.7 Ų53.713%0.12829%0.291CS..THydrogen-bonded Turntrans-61.6-20.7-179.187.4-168.983.5129.726.6113.7L237 S241 V297 T301 N374 S375L237-R239 PolarHBondContact O-N 3.49Å; R239-S241 VanDerWaalsContact C-N 3.26Å; R239-V297 HydrophobicContact CB-CG1 4.01Å; R239-T301 HydrophobicContact CG-CG2 4.15Å; R239-N374 VanDerWaalsContact CZ-CB 3.5Å; R239-N374 PolarHBondContact NH2-O 3.3Å; R239-S375 VanDerWaalsContact CZ-C 3.47Å; R239-S375 PolarHBondContact NH1-O 2.98Å; R239-S375 PolarHBondContact NH2-O 3.08Å
240E80.3Confident89.9Confident33 Ų3353.5 Ų53.515%0.15429%0.293CS..THydrogen-bonded Turntrans-74-20.3178.3-67.3138.4-179.800111.9N238 V242 A306 W307 N374N238-E240 PolarHBondContact O-N 2.96Å; N238-E240 VanDerWaalsContact O-N 3.09Å; E240-V242 PolarHBondContact O-N 3.12Å; E240-A306 HydrophobicContact CB-CB 4.11Å; E240-A306 VanDerWaalsContact CD-CA 3.41Å; E240-A306 HydrophobicContact CG-CB 4.46Å; E240-A306 WeakPolarHBondContact OE2-CA 3.43Å; E240-A306 WeakPolarHBondContact OE2-CB 3.36Å; E240-W307 PolarHBondContact OE2-N 2.8Å; E240-N374 WeakPolarHBondContact OE1-CB 3.42Å
241S86.5Confident90Very high50 Ų5052.4 Ų52.435%0.3529%0.29SS..  trans-82.753.9176-55.20000111.6N238 R239 A244 R245N238-S241 WeakPolarHBondContact O-CB 3.48Å; N238-S241 PolarHBondContact O-N 3.16Å; R239-S241 VanDerWaalsContact C-N 3.26Å; S241-A244 PolarHBondContact O-N 2.88Å; S241-A244 VanDerWaalsContact O-N 3.13Å; S241-R245 PolarHBondContact O-N 2.89Å; S241-R245 VanDerWaalsContact O-N 3.1Å
242V87.4Confident90Very high44 Ų4452.7 Ų52.727%0.26729%0.292SS..Hα-helixtrans-51.4-48.7-178.8177.30000112E240 A244 R245 T246 F294E240-V242 PolarHBondContact O-N 3.12Å; V242-A244 VanDerWaalsContact C-N 3.31Å; V242-A244 PolarHBondContact O-N 2.76Å; V242-R245 PolarHBondContact O-N 3.31Å; V242-T246 PolarHBondContact O-N 2.89Å; V242-T246 PolarHBondContact O-OG1 3.08Å; V242-F294 HydrophobicContact CG1-CE2 4.49Å; V242-F294 HydrophobicContact CG1-CZ 3.9Å
243P90.5Very high90.1Very high97 Ų9753 Ų5363%0.6330%0.295SS*.Hα-helixtrans-60.8-39.2-179.8-23.235000113.1V247P243-V247 VanDerWaalsContact O-CG2 3.28Å; P243-V247 WeakPolarHBondContact O-CG2 3.18Å; P243-V247 PolarHBondContact O-N 3.19Å; P243-V247 VanDerWaalsContact O-N 3.11Å
244A89.8Confident90.2Very high37 Ų3755 Ų5531%0.30630%0.303SS..Hα-helixtrans-65.5-48.9178.900000110.9L237 S241 V242 T246 V247 F248L237-A244 HydrophobicContact CD2-CB 3.92Å; S241-A244 PolarHBondContact O-N 2.88Å; S241-A244 VanDerWaalsContact O-N 3.13Å; V242-A244 VanDerWaalsContact C-N 3.31Å; V242-A244 PolarHBondContact O-N 2.76Å; A244-T246 PolarHBondContact O-N 3.41Å; A244-V247 PolarHBondContact O-N 2.88Å; A244-F248 WeakPolarHBondContact O-CD2 3.33Å; A244-F248 PolarHBondContact O-N 2.89Å
245R91.3Very high90.5Very high2 Ų257.4 Ų57.41%0.00832%0.318CS..Hα-helixtrans-63.2-39.7179.6-71.4-176.173.2162.8-4.3112.4S234 L237 S241 V242 F248 G249 E293 F294 D380S234-R245 PolarHBondContact O-NE 3.31Å; L237-R245 HydrophobicContact CB-CG 3.99Å; L237-R245 HydrophobicContact CD2-CG 4.31Å; S241-R245 PolarHBondContact O-N 2.89Å; S241-R245 VanDerWaalsContact O-N 3.1Å; V242-R245 PolarHBondContact O-N 3.31Å; R245-F248 PolarHBondContact O-N 3.07Å; R245-G249 PolarHBondContact O-N 2.99Å; R245-E293 IonicContact NH2-OE1 3.34Å; R245-E293 IonicContact NH2-OE2 3.66Å; R245-E293 PolarHBondContact NH2-OE2 3.27Å; R245-F294 HydrophobicContact CB-CD2 3.56Å; R245-F294 HydrophobicContact CB-CE2 3.4Å; R245-F294 VanDerWaalsContact CB-CE2 3.4Å; R245-F294 HydrophobicContact CB-CG 4.22Å; R245-F294 HydrophobicContact CB-CZ 3.95Å; R245-F294 HydrophobicContact CG-CD2 4.33Å; R245-F294 HydrophobicContact CG-CE2 4.32Å; R245-D380 IonicContact CZ-OD1 2.8Å; R245-D380 IonicContact NH1-OD1 3.51Å; R245-D380 PolarHBondContact NH1-OD1 2.99Å; R245-D380 IonicContact NH1-OD2 2.91Å; R245-D380 IonicContact NH2-OD1 2.93Å; R245-D380 PolarHBondContact NH2-OD1 2.82Å
246T91.4Very high90.6Very high55 Ų5557.4 Ų57.434%0.33732%0.317SS..Hα-helixtrans-60.4-48174.9-52.40000111.3V242 A244 G249 V250 F294V242-T246 PolarHBondContact O-N 2.89Å; V242-T246 PolarHBondContact O-OG1 3.08Å; A244-T246 PolarHBondContact O-N 3.41Å; T246-G249 PolarHBondContact O-N 2.9Å; T246-V250 HydrophobicContact CG2-CG2 4.38Å; T246-V250 WeakPolarHBondContact O-CG2 3.38Å; T246-V250 PolarHBondContact O-N 2.93Å; T246-F294 VanDerWaalsContact OG1-CE1 3.24Å; T246-F294 WeakPolarHBondContact OG1-CE1 3.48Å; T246-F294 VanDerWaalsContact OG1-CZ 3.27Å; T246-F294 WeakPolarHBondContact OG1-CZ 3.44Å
247V93.4Very high90.9Very high92 Ų9251.9 Ų51.956%0.55830%0.302SS*.Hα-helixtrans-63.1-46.1-179.8172.50000110.6P243 A244 G249 V250 T251P243-V247 VanDerWaalsContact O-CG2 3.28Å; P243-V247 WeakPolarHBondContact O-CG2 3.18Å; P243-V247 PolarHBondContact O-N 3.19Å; P243-V247 VanDerWaalsContact O-N 3.11Å; A244-V247 PolarHBondContact O-N 2.88Å; V247-G249 VanDerWaalsContact C-N 3.34Å; V247-G249 PolarHBondContact O-N 3Å; V247-V250 PolarHBondContact O-N 3.48Å; V247-T251 WeakPolarHBondContact O-CB 3.33Å; V247-T251 PolarHBondContact O-N 3.31Å; V247-T251 PolarHBondContact O-OG1 2.97Å
248F90.7Very high91.1Very high88 Ų8853.8 Ų53.839%0.38632%0.316SS..Hα-helixtrans-56.8-45.1174.9-85.4-70.3000112.6L237 A244 R245 T252L237-F248 HydrophobicContact CD2-CD2 4.14Å; L237-F248 HydrophobicContact CD2-CE2 4.08Å; A244-F248 WeakPolarHBondContact O-CD2 3.33Å; A244-F248 PolarHBondContact O-N 2.89Å; R245-F248 PolarHBondContact O-N 3.07Å; F248-T252 WeakPolarHBondContact O-CB 3.33Å; F248-T252 VanDerWaalsContact O-CG2 3.24Å; F248-T252 WeakPolarHBondContact O-CG2 3.44Å; F248-T252 PolarHBondContact O-N 2.78Å; F248-T252 VanDerWaalsContact O-N 3.08Å; F248-T252 PolarHBondContact O-OG1 3.29Å
249G91.7Very high91.5Very high8 Ų850.3 Ų50.38%0.08230%0.297CS..Hα-helixtrans-65.1-47.5179.400000113.2R245 T246 V247 T252 V253R245-G249 PolarHBondContact O-N 2.99Å; T246-G249 PolarHBondContact O-N 2.9Å; V247-G249 VanDerWaalsContact C-N 3.34Å; V247-G249 PolarHBondContact O-N 3Å; G249-T252 PolarHBondContact O-OG1 2.98Å; G249-V253 WeakPolarHBondContact O-CG2 3.47Å; G249-V253 PolarHBondContact O-N 3.22Å
250V94.3Very high92Very high80 Ų8049.1 Ų49.149%0.48529%0.294SS..Hα-helixtrans-69.9-42.7-179.2175.70000111.4T246 V247 T252 V253 L254T246-V250 HydrophobicContact CG2-CG2 4.38Å; T246-V250 WeakPolarHBondContact O-CG2 3.38Å; T246-V250 PolarHBondContact O-N 2.93Å; V247-V250 PolarHBondContact O-N 3.48Å; V250-T252 PolarHBondContact O-N 3.07Å; V250-V253 PolarHBondContact O-N 3.45Å; V250-L254 PolarHBondContact O-N 3.37Å
251T95.1Very high92.5Very high69 Ų6952 Ų5242%0.42331%0.309SS..Hα-helixtrans-63.5-41179.1-60.80000111.3V247 V253 L254 T255V247-T251 WeakPolarHBondContact O-CB 3.33Å; V247-T251 PolarHBondContact O-N 3.31Å; V247-T251 PolarHBondContact O-OG1 2.97Å; T251-V253 PolarHBondContact O-N 2.85Å; T251-L254 PolarHBondContact O-N 3.48Å; T251-T255 WeakPolarHBondContact O-CB 3.46Å; T251-T255 PolarHBondContact O-N 3.38Å; T251-T255 PolarHBondContact O-OG1 3.21Å
252T95Very high92.7Very high9 Ų952.4 Ų52.46%0.05531%0.312CS..Hα-helixtrans-65.9-37.9177.849.60000112.7T227 L230 F248 G249 V250 T255 M256 V287T227-T252 HydrophobicContact CG2-CG2 4.42Å; L230-T252 HydrophobicContact CB-CG2 4.36Å; F248-T252 WeakPolarHBondContact O-CB 3.33Å; F248-T252 VanDerWaalsContact O-CG2 3.24Å; F248-T252 WeakPolarHBondContact O-CG2 3.44Å; F248-T252 PolarHBondContact O-N 2.78Å; F248-T252 VanDerWaalsContact O-N 3.08Å; F248-T252 PolarHBondContact O-OG1 3.29Å; G249-T252 PolarHBondContact O-OG1 2.98Å; V250-T252 PolarHBondContact O-N 3.07Å; T252-T255 PolarHBondContact O-N 3.03Å; T252-M256 WeakPolarHBondContact O-CB 3.37Å; T252-M256 PolarHBondContact O-N 3.46Å; T252-V287 WeakPolarHBondContact OG1-CG1 3.31Å
253V95.4Very high92.7Very high25 Ų2550.8 Ų50.815%0.15230%0.303CS..Hα-helixtrans-63.4-43.7172.5174.30000111.1G249 V250 T251 M256 T257 Y284 V287G249-V253 WeakPolarHBondContact O-CG2 3.47Å; G249-V253 PolarHBondContact O-N 3.22Å; V250-V253 PolarHBondContact O-N 3.45Å; T251-V253 PolarHBondContact O-N 2.85Å; V253-M256 PolarHBondContact O-N 3.18Å; V253-T257 PolarHBondContact O-N 2.83Å; V253-T257 PolarHBondContact O-OG1 2.7Å; V253-Y284 HydrophobicContact CG1-CE2 4.32Å; V253-V287 HydrophobicContact CB-CG1 4.41Å; V253-V287 HydrophobicContact CG2-CG1 3.67Å
254L95.4Very high92.5Very high108 Ų10852.9 Ų52.957%0.56530%0.299SS*.Hα-helixtrans-62.2-48.4177.5178.762.2000111.1V250 T251 M256 T257 T258V250-L254 PolarHBondContact O-N 3.37Å; T251-L254 PolarHBondContact O-N 3.48Å; L254-M256 VanDerWaalsContact C-N 3.3Å; L254-M256 PolarHBondContact O-N 3.02Å; L254-T257 WeakPolarHBondContact O-CB 3.36Å; L254-T257 PolarHBondContact O-N 3.14Å; L254-T257 VanDerWaalsContact O-N 3.12Å; L254-T258 PolarHBondContact O-N 3.05Å; L254-T258 PolarHBondContact O-OG1 2.95Å; L254-T258 VanDerWaalsContact O-OG1 3.12Å
255T95.4Very high92.3Very high56 Ų5657.3 Ų57.334%0.34432%0.317SS..Hα-helixtrans-57.5-44176.4-58.60000111.3T227 T251 T252 T257 T258 L259T227-T255 HydrophobicContact CG2-CG2 4.26Å; T251-T255 WeakPolarHBondContact O-CB 3.46Å; T251-T255 PolarHBondContact O-N 3.38Å; T251-T255 PolarHBondContact O-OG1 3.21Å; T252-T255 PolarHBondContact O-N 3.03Å; T255-T257 VanDerWaalsContact C-N 3.33Å; T255-T257 PolarHBondContact O-N 2.96Å; T255-T258 PolarHBondContact O-N 3.44Å; T255-L259 HydrophobicContact CG2-CD1 4.24Å; T255-L259 WeakPolarHBondContact O-CG 3.45Å; T255-L259 PolarHBondContact O-N 2.98Å
256M94.2Very high91.6Very high0 Ų060.2 Ų60.20%034%0.338CS..Hα-helixtrans-64.1-38.3177.5-166.964.8-169.100112.3C224 T252 V253 L254 L259 S260 I280 C283 Y284C224-M256 HydrophobicContact CB-CE 4.39Å; C224-M256 HydrophobicContact CB-SD 4.43Å; T252-M256 WeakPolarHBondContact O-CB 3.37Å; T252-M256 PolarHBondContact O-N 3.46Å; V253-M256 PolarHBondContact O-N 3.18Å; L254-M256 VanDerWaalsContact C-N 3.3Å; L254-M256 PolarHBondContact O-N 3.02Å; M256-L259 PolarHBondContact O-N 3.45Å; M256-S260 WeakPolarHBondContact O-CB 3.22Å; M256-S260 PolarHBondContact O-N 3.46Å; M256-I280 HydrophobicContact CE-CB 4.26Å; M256-I280 HydrophobicContact CE-CG2 3.78Å; M256-I280 WeakPolarHBondContact CE-O 3.24Å; M256-C283 HydrophobicContact CE-CB 3.29Å; M256-C283 HydrophobicContact SD-CB 4.21Å; M256-Y284 HydrophobicContact CB-CD2 4.23Å; M256-Y284 HydrophobicContact CG-CD2 3.75Å; M256-Y284 HydrophobicContact CG-CG 4.42Å
257T94.6Very high91.2Very high50 Ų5058.5 Ų58.531%0.30733%0.326SS..Hα-helixtrans-62.5-45.5174.1-54.30000111V253 L254 T255 S260 I261V253-T257 PolarHBondContact O-N 2.83Å; V253-T257 PolarHBondContact O-OG1 2.7Å; L254-T257 WeakPolarHBondContact O-CB 3.36Å; L254-T257 PolarHBondContact O-N 3.14Å; L254-T257 VanDerWaalsContact O-N 3.12Å; T255-T257 VanDerWaalsContact C-N 3.33Å; T255-T257 PolarHBondContact O-N 2.96Å; T257-S260 PolarHBondContact O-N 3.31Å; T257-I261 HydrophobicContact CG2-CD1 4.12Å; T257-I261 WeakPolarHBondContact O-CG1 3.42Å; T257-I261 PolarHBondContact O-N 2.99Å
258T94.5Very high91Very high84 Ų8454.8 Ų54.852%0.51530%0.304SS..Hα-helixtrans-62.2-45.3176.9-54.50000112L254 T255 S260 I261 S262L254-T258 PolarHBondContact O-N 3.05Å; L254-T258 PolarHBondContact O-OG1 2.95Å; L254-T258 VanDerWaalsContact O-OG1 3.12Å; T255-T258 PolarHBondContact O-N 3.44Å; T258-S260 VanDerWaalsContact C-N 3.34Å; T258-S260 PolarHBondContact O-N 3.42Å; T258-I261 PolarHBondContact O-N 3.32Å; T258-S262 WeakPolarHBondContact O-CB 3.48Å; T258-S262 PolarHBondContact O-N 3.22Å
259L92.8Very high90.9Very high35 Ų3560.8 Ų60.818%0.18333%0.33CS..Hα-helixtrans-62-41.4176.7-71.7174.2000111.7P223 T255 M256 S262 A263P223-L259 HydrophobicContact CB-CD1 3.84Å; P223-L259 HydrophobicContact CB-CD2 3.93Å; T255-L259 HydrophobicContact CG2-CD1 4.24Å; T255-L259 WeakPolarHBondContact O-CG 3.45Å; T255-L259 PolarHBondContact O-N 2.98Å; M256-L259 PolarHBondContact O-N 3.45Å; L259-S262 PolarHBondContact O-N 2.93Å; L259-A263 WeakPolarHBondContact O-CB 3.32Å; L259-A263 PolarHBondContact O-N 3.47Å
260S91.6Very high90.8Very high9 Ų962.2 Ų62.26%0.06334%0.337CS..Hα-helixtrans-63.2-41.2177.7-178.90000113M256 T257 T258 R264M256-S260 WeakPolarHBondContact O-CB 3.22Å; M256-S260 PolarHBondContact O-N 3.46Å; T257-S260 PolarHBondContact O-N 3.31Å; T258-S260 VanDerWaalsContact C-N 3.34Å; T258-S260 PolarHBondContact O-N 3.42Å; S260-R264 WeakPolarHBondContact O-CG 3.36Å; S260-R264 PolarHBondContact O-N 3.22Å; S260-R264 PolarHBondContact O-NE 3.28Å; S260-R264 PolarHBondContact OG-NH2 3.28Å
261I91.8Very high90.6Very high93 Ų9363.7 Ų63.748%0.47736%0.358SS..Hα-helixtrans-67.6-45.4176.4-66.5165.8000110T257 T258 A263 R264 N265T257-I261 HydrophobicContact CG2-CD1 4.12Å; T257-I261 WeakPolarHBondContact O-CG1 3.42Å; T257-I261 PolarHBondContact O-N 2.99Å; T258-I261 PolarHBondContact O-N 3.32Å; I261-A263 VanDerWaalsContact C-N 3.34Å; I261-A263 PolarHBondContact O-N 3.31Å; I261-R264 PolarHBondContact O-N 3.47Å; I261-N265 PolarHBondContact O-N 2.86Å; I261-N265 VanDerWaalsContact O-N 3.12Å
262S90.7Very high90.5Very high60 Ų6064.5 Ų64.542%0.4235%0.354SS..Hα-helixtrans-60.2-42.9179.1-171.10000112.2T258 L259 R264 N265T258-S262 WeakPolarHBondContact O-CB 3.48Å; T258-S262 PolarHBondContact O-N 3.22Å; L259-S262 PolarHBondContact O-N 2.93Å; S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.25Å; S262-N265 PolarHBondContact O-N 3.4Å
263A88.3Confident90.3Very high9 Ų966.6 Ų66.67%0.07437%0.372CS..Hα-helixtrans-64.9-36178.700000112.2T220 L259 I261 M276 I280T220-A263 HydrophobicContact CG2-CB 3.92Å; L259-A263 WeakPolarHBondContact O-CB 3.32Å; L259-A263 PolarHBondContact O-N 3.47Å; I261-A263 VanDerWaalsContact C-N 3.34Å; I261-A263 PolarHBondContact O-N 3.31Å; A263-M276 HydrophobicContact CB-CE 4.25Å; A263-M276 HydrophobicContact CB-SD 4.19Å; A263-I280 HydrophobicContact CB-CD1 3.84Å
264R85.9Confident90.3Very high141 Ų14165.4 Ų65.453%0.53237%0.365SS..Hα-helixtrans-75.5-25.4179.6-77.5-169.7-93.1-160-6.4114.2S260 I261 S262 S266 L267S260-R264 WeakPolarHBondContact O-CG 3.36Å; S260-R264 PolarHBondContact O-N 3.22Å; S260-R264 PolarHBondContact O-NE 3.28Å; S260-R264 PolarHBondContact OG-NH2 3.28Å; I261-R264 PolarHBondContact O-N 3.47Å; S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.25Å; R264-S266 PolarHBondContact O-N 3.23Å; R264-L267 PolarHBondContact O-N 2.72Å
265N85.8Confident90.2Very high131 Ų13160.3 Ų60.370%0.70134%0.338SS*.Hα-helixtrans-65.9-23177.2-72.4-19.8000113.1I261 S262I261-N265 PolarHBondContact O-N 2.86Å; I261-N265 VanDerWaalsContact O-N 3.12Å; S262-N265 PolarHBondContact O-N 3.4Å
266S76.6Confident90.1Very high63 Ų6357.7 Ų57.744%0.44132%0.322SS..THydrogen-bonded Turntrans-91.6-2179-57.90000113.7R264R264-S266 PolarHBondContact O-N 3.23Å
267L83.1Confident90.1Very high18 Ų1859.3 Ų59.39%0.09433%0.331CS..SBendtrans-111.9140.8-177.8-169.178.4000110.5L133 F136 R264 V270 T274L133-L267 HydrophobicContact CD1-CD1 4.44Å; F136-L267 HydrophobicContact CB-CD1 4.49Å; F136-L267 HydrophobicContact CD1-CD1 3.63Å; F136-L267 HydrophobicContact CD2-CD1 3.58Å; F136-L267 HydrophobicContact CE1-CD1 3.58Å; F136-L267 HydrophobicContact CE2-CD1 3.49Å; F136-L267 VanDerWaalsContact CE2-CD1 3.49Å; F136-L267 HydrophobicContact CG-CD1 3.62Å; F136-L267 HydrophobicContact CZ-CD1 3.48Å; F136-L267 VanDerWaalsContact CZ-CD1 3.48Å; R264-L267 PolarHBondContact O-N 2.72Å; L267-V270 HydrophobicContact CD2-CG2 4.47Å; L267-T274 HydrophobicContact CD2-CG2 3.82Å
268P88.9Confident90.1Very high14 Ų1464.1 Ų64.19%0.09134%0.344CS..  trans-55.1152165.523-35.1000112.1D45 L133 V270D45-P268 HydrophobicContact CB-CG 4.32Å; D45-P268 WeakPolarHBondContact O-CG 3.41Å; L133-P268 HydrophobicContact CD1-CG 3.33Å; P268-V270 PolarHBondContact O-N 2.91Å
269K87Confident90.2Very high215 Ų21560.1 Ų60.194%0.93532%0.319SS*.  trans-74.498.3174.8-63.6179.8-176.1176.30109.7
270V90.2Very high90.3Very high37 Ų3758.7 Ų58.722%0.22431%0.312CS..  trans-99151.3171.8-670000111L133 L267 P268 Y272 T274L133-V270 HydrophobicContact CD1-CG1 4.05Å; L267-V270 HydrophobicContact CD2-CG2 4.47Å; P268-V270 PolarHBondContact O-N 2.91Å; V270-Y272 VanDerWaalsContact C-N 3.33Å; V270-Y272 HydrophobicContact CB-CD1 4.41Å; V270-Y272 HydrophobicContact CB-CD2 4.43Å; V270-Y272 HydrophobicContact CB-CE1 4.1Å; V270-Y272 HydrophobicContact CB-CE2 4.11Å; V270-Y272 HydrophobicContact CG1-CE1 4.37Å; V270-Y272 HydrophobicContact CG1-CE2 4.4Å; V270-Y272 HydrophobicContact CG2-CD2 4.26Å; V270-Y272 HydrophobicContact CG2-CE2 4.09Å; V270-Y272 WeakPolarHBondContact CG2-O 3.38Å; V270-T274 HydrophobicContact CG2-CG2 4.02Å
271A90.9Very high90.5Very high112 Ų11260.9 Ų60.993%0.92633%0.33SS*.SBendtrans-83.8-7.9-178.500000113.8
272Y92.5Very high90.8Very high85 Ų8558.3 Ų58.333%0.33332%0.319SS..SBendtrans-113.1159.1-179.351.2-99.2000111.1L133 E134 V270L133-Y272 HydrophobicContact CB-CE2 4.28Å; L133-Y272 PolarHBondContact N-OH 2.91Å; E134-Y272 HydrophobicContact CG-CD2 4.13Å; E134-Y272 HydrophobicContact CG-CE2 3.97Å; V270-Y272 VanDerWaalsContact C-N 3.33Å; V270-Y272 HydrophobicContact CB-CD1 4.41Å; V270-Y272 HydrophobicContact CB-CD2 4.43Å; V270-Y272 HydrophobicContact CB-CE1 4.1Å; V270-Y272 HydrophobicContact CB-CE2 4.11Å; V270-Y272 HydrophobicContact CG1-CE1 4.37Å; V270-Y272 HydrophobicContact CG1-CE2 4.4Å; V270-Y272 HydrophobicContact CG2-CD2 4.26Å; V270-Y272 HydrophobicContact CG2-CE2 4.09Å; V270-Y272 WeakPolarHBondContact CG2-O 3.38Å
273A91.9Very high91.1Very high54 Ų5455.5 Ų55.545%0.44630%0.299SS..  trans-79.3127.8177.500000110.8D277A273-D277 HydrophobicContact CB-CB 4.46Å
274T94.1Very high91.4Very high0 Ų059.5 Ų59.50%031%0.313CS..  trans-81.9164.1175.1660000112.1L133 E134 F136 L267 V270 M276 D277 W278L133-T274 VanDerWaalsContact O-CG2 3.26Å; L133-T274 WeakPolarHBondContact O-CG2 3.38Å; E134-T274 CarbonylContact O-C 3.43Å; F136-T274 HydrophobicContact CB-CG2 4.25Å; L267-T274 HydrophobicContact CD2-CG2 3.82Å; V270-T274 HydrophobicContact CG2-CG2 4.02Å; T274-M276 PolarHBondContact O-N 3.36Å; T274-D277 WeakPolarHBondContact CB-OD2 3.36Å; T274-D277 PolarHBondContact N-OD2 3.42Å; T274-D277 WeakPolarHBondContact O-CB 3.37Å; T274-D277 PolarHBondContact O-N 3.44Å; T274-D277 PolarHBondContact OG1-N 3.06Å; T274-D277 VanDerWaalsContact OG1-N 3.14Å; T274-D277 PolarHBondContact OG1-OD2 3.03Å; T274-W278 VanDerWaalsContact O-CD1 3.32Å; T274-W278 PolarHBondContact O-N 3.12Å; T274-W278 VanDerWaalsContact O-N 3.07Å
275A93.8Very high91.9Very high0 Ų055 Ų550%031%0.306CS..Hα-helixtrans-57-35.7172.900000112.5E134 F279 Y398 Y402E134-A275 PolarHBondContact O-N 2.92Å; A275-F279 PolarHBondContact O-N 3.42Å; A275-Y398 WeakPolarHBondContact O-CE2 3.19Å; A275-Y398 PolarHBondContact O-OH 3.13Å; A275-Y402 HydrophobicContact CB-CD1 3.68Å; A275-Y402 HydrophobicContact CB-CD2 4.24Å; A275-Y402 HydrophobicContact CB-CE1 3.35Å; A275-Y402 HydrophobicContact CB-CE2 3.96Å; A275-Y402 HydrophobicContact CB-CG 4.12Å; A275-Y402 VanDerWaalsContact CB-CZ 3.49Å
276M93.4Very high92.4Very high1 Ų150.2 Ų50.21%0.00528%0.279CS..Hα-helixtrans-65.4-41.8172.3-175.1-179.263.900112.2F136 T220 A263 T274 W278 F279 I280F136-M276 HydrophobicContact CD1-CB 4.12Å; F136-M276 HydrophobicContact CD1-CE 3.97Å; F136-M276 HydrophobicContact CD1-SD 4.25Å; F136-M276 HydrophobicContact CE1-CE 3.63Å; F136-M276 HydrophobicContact CE1-SD 3.8Å; F136-M276 PolarHBondContact O-N 3.17Å; F136-M276 VanDerWaalsContact O-N 3.12Å; T220-M276 HydrophobicContact CG2-CG 4.42Å; T220-M276 HydrophobicContact CG2-SD 4.14Å; A263-M276 HydrophobicContact CB-CE 4.25Å; A263-M276 HydrophobicContact CB-SD 4.19Å; T274-M276 PolarHBondContact O-N 3.36Å; M276-W278 VanDerWaalsContact C-N 3.34Å; M276-W278 PolarHBondContact O-N 3.12Å; M276-F279 WeakPolarHBondContact O-CB 3.39Å; M276-F279 PolarHBondContact O-N 3.3Å; M276-I280 HydrophobicContact CG-CD1 3.86Å; M276-I280 HydrophobicContact CG-CG1 4.42Å; M276-I280 WeakPolarHBondContact O-CG1 3.28Å; M276-I280 PolarHBondContact O-N 3.32Å; M276-I280 HydrophobicContact SD-CD1 4.44Å
277D94.1Very high93.4Very high34 Ų3447.3 Ų47.318%0.18226%0.258CS..Hα-helixtrans-61.8-42.3177.9-67.4-50.4000111.6A273 T274 F279 I280 A281A273-D277 HydrophobicContact CB-CB 4.46Å; T274-D277 WeakPolarHBondContact CB-OD2 3.36Å; T274-D277 PolarHBondContact N-OD2 3.42Å; T274-D277 WeakPolarHBondContact O-CB 3.37Å; T274-D277 PolarHBondContact O-N 3.44Å; T274-D277 PolarHBondContact OG1-N 3.06Å; T274-D277 VanDerWaalsContact OG1-N 3.14Å; T274-D277 PolarHBondContact OG1-OD2 3.03Å; D277-F279 VanDerWaalsContact C-N 3.33Å; D277-F279 PolarHBondContact O-N 3.15Å; D277-I280 PolarHBondContact O-N 2.86Å; D277-A281 VanDerWaalsContact O-CB 3.22Å; D277-A281 WeakPolarHBondContact O-CB 3.42Å; D277-A281 PolarHBondContact O-N 3.29Å
278W95.3Very high93.9Very high151 Ų15151.1 Ų51.157%0.57228%0.275SS*.Hα-helixtrans-60.3-42.1174.1-78.4109.9000112.1T274 M276 A281 V282T274-W278 VanDerWaalsContact O-CD1 3.32Å; T274-W278 PolarHBondContact O-N 3.12Å; T274-W278 VanDerWaalsContact O-N 3.07Å; M276-W278 VanDerWaalsContact C-N 3.34Å; M276-W278 PolarHBondContact O-N 3.12Å; W278-A281 PolarHBondContact O-N 3.02Å; W278-V282 WeakPolarHBondContact O-CG2 3.47Å; W278-V282 PolarHBondContact O-N 3.43Å
279F96.3Very high94.2Very high0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-61.9-48.7176.8-172.9-94.9000112.3Y221 C224 I225 A275 M276 D277 V282 C283 F394 Y398Y221-F279 AromaticContact CD1-CD1 3.53Å; Y221-F279 HydrophobicContact CD1-CD1 3.53Å; Y221-F279 HydrophobicContact CD1-CD2 4.09Å; Y221-F279 AromaticContact CD1-CE1 3.51Å; Y221-F279 HydrophobicContact CD1-CE1 3.51Å; Y221-F279 HydrophobicContact CD1-CE2 4.07Å; Y221-F279 AromaticContact CD1-CG 3.83Å; Y221-F279 HydrophobicContact CD1-CG 3.83Å; Y221-F279 AromaticContact CD1-CZ 3.79Å; Y221-F279 HydrophobicContact CD1-CZ 3.79Å; Y221-F279 HydrophobicContact CE1-CB 4.02Å; Y221-F279 AromaticContact CE1-CD1 3.71Å; Y221-F279 HydrophobicContact CE1-CD1 3.71Å; Y221-F279 AromaticContact CE1-CD2 4Å; Y221-F279 HydrophobicContact CE1-CD2 4Å; Y221-F279 HydrophobicContact CE1-CE1 4.16Å; Y221-F279 HydrophobicContact CE1-CE2 4.42Å; Y221-F279 AromaticContact CE1-CG 3.62Å; Y221-F279 HydrophobicContact CE1-CG 3.62Å; Y221-F279 HydrophobicContact CG-CE1 4.42Å; C224-F279 HydrophobicContact CB-CE1 3.95Å; I225-F279 HydrophobicContact CD1-CZ 4.15Å; I225-F279 HydrophobicContact CG1-CE1 4.45Å; I225-F279 HydrophobicContact CG1-CZ 3.8Å; A275-F279 PolarHBondContact O-N 3.42Å; M276-F279 WeakPolarHBondContact O-CB 3.39Å; M276-F279 PolarHBondContact O-N 3.3Å; D277-F279 VanDerWaalsContact C-N 3.33Å; D277-F279 PolarHBondContact O-N 3.15Å; F279-V282 PolarHBondContact O-N 2.94Å; F279-C283 VanDerWaalsContact CE1-SG 3.52Å; F279-C283 WeakPolarHBondContact O-CB 3.45Å; F279-C283 PolarHBondContact O-N 3.4Å; F279-C283 PolarHBondContact O-SG 3.35Å; F279-F394 AromaticContact CD2-CE1 3.73Å; F279-F394 HydrophobicContact CD2-CE1 3.73Å; F279-F394 AromaticContact CD2-CZ 3.97Å; F279-F394 HydrophobicContact CD2-CZ 3.97Å; F279-F394 AromaticContact CE2-CE1 3.83Å; F279-F394 HydrophobicContact CE2-CE1 3.83Å; F279-Y398 HydrophobicContact CB-CD2 4.45Å; F279-Y398 HydrophobicContact CB-CE1 4.41Å; F279-Y398 HydrophobicContact CB-CE2 3.75Å; F279-Y398 AromaticContact CD2-CD1 3.77Å; F279-Y398 HydrophobicContact CD2-CD1 3.77Å; F279-Y398 HydrophobicContact CD2-CD2 4.06Å; F279-Y398 AromaticContact CD2-CE1 3.74Å; F279-Y398 HydrophobicContact CD2-CE1 3.74Å; F279-Y398 HydrophobicContact CD2-CE2 4.03Å; F279-Y398 AromaticContact CD2-CG 3.94Å; F279-Y398 HydrophobicContact CD2-CG 3.94Å; F279-Y398 AromaticContact CD2-CZ 3.89Å; F279-Y398 HydrophobicContact CE2-CD1 4.22Å; F279-Y398 HydrophobicContact CE2-CE1 4.43Å; F279-Y398 HydrophobicContact CG-CE1 4.33Å; F279-Y398 HydrophobicContact CG-CE2 4.36Å
280I95.2Very high94.5Very high6 Ų642.6 Ų42.63%0.03124%0.243CC..Hα-helixtrans-63.6-42.5179.1-68.4173.7000110.3T220 M256 A263 M276 D277 C283 Y284T220-I280 HydrophobicContact CG2-CD1 4.11Å; M256-I280 HydrophobicContact CE-CB 4.26Å; M256-I280 HydrophobicContact CE-CG2 3.78Å; M256-I280 WeakPolarHBondContact CE-O 3.24Å; A263-I280 HydrophobicContact CB-CD1 3.84Å; M276-I280 HydrophobicContact CG-CD1 3.86Å; M276-I280 HydrophobicContact CG-CG1 4.42Å; M276-I280 WeakPolarHBondContact O-CG1 3.28Å; M276-I280 PolarHBondContact O-N 3.32Å; M276-I280 HydrophobicContact SD-CD1 4.44Å; D277-I280 PolarHBondContact O-N 2.86Å; I280-C283 PolarHBondContact O-N 3.2Å; I280-Y284 VanDerWaalsContact O-CB 3.31Å; I280-Y284 WeakPolarHBondContact O-CB 3.26Å; I280-Y284 PolarHBondContact O-N 3.17Å
281A95.6Very high94.7Very high54 Ų5443 Ų4345%0.44624%0.243SC..Hα-helixtrans-62.6-43.9178.900000112.3D277 W278 Y284 A285D277-A281 VanDerWaalsContact O-CB 3.22Å; D277-A281 WeakPolarHBondContact O-CB 3.42Å; D277-A281 PolarHBondContact O-N 3.29Å; W278-A281 PolarHBondContact O-N 3.02Å; A281-Y284 WeakPolarHBondContact O-CB 3.45Å; A281-Y284 PolarHBondContact O-N 3.44Å; A281-A285 PolarHBondContact O-N 2.66Å
282V96.7Very high94.8Very high40 Ų4041.7 Ų41.724%0.24222%0.22CC..Hα-helixtrans-67.1-44177173.10000111.1W278 F279 Y284 A285 F286 F394W278-V282 WeakPolarHBondContact O-CG2 3.47Å; W278-V282 PolarHBondContact O-N 3.43Å; F279-V282 PolarHBondContact O-N 2.94Å; V282-Y284 VanDerWaalsContact C-N 3.26Å; V282-Y284 PolarHBondContact O-N 2.93Å; V282-A285 WeakPolarHBondContact O-CB 3.49Å; V282-A285 PolarHBondContact O-N 3.36Å; V282-A285 VanDerWaalsContact O-N 3.15Å; V282-F286 HydrophobicContact CG1-CD2 3.8Å; V282-F286 HydrophobicContact CG1-CE2 3.58Å; V282-F286 VanDerWaalsContact O-CD2 3.26Å; V282-F286 WeakPolarHBondContact O-CD2 3.45Å; V282-F286 PolarHBondContact O-N 2.84Å; V282-F394 HydrophobicContact CB-CD2 4.48Å; V282-F394 HydrophobicContact CB-CE1 4.01Å; V282-F394 HydrophobicContact CB-CE2 3.87Å; V282-F394 HydrophobicContact CB-CZ 3.6Å; V282-F394 HydrophobicContact CG1-CD1 3.81Å; V282-F394 HydrophobicContact CG1-CD2 3.79Å; V282-F394 HydrophobicContact CG1-CE1 3.69Å; V282-F394 HydrophobicContact CG1-CE2 3.68Å; V282-F394 HydrophobicContact CG1-CG 3.86Å; V282-F394 HydrophobicContact CG1-CZ 3.62Å; V282-F394 HydrophobicContact CG2-CD2 4.48Å; V282-F394 HydrophobicContact CG2-CE2 3.77Å; V282-F394 HydrophobicContact CG2-CZ 3.94Å
283C96.8Very high94.9Very high0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-58.1-41.1174-71.10000111.7V228 M256 F279 I280 F286 V287V228-C283 HydrophobicContact CG2-CB 3.71Å; M256-C283 HydrophobicContact CE-CB 3.29Å; M256-C283 HydrophobicContact SD-CB 4.21Å; F279-C283 VanDerWaalsContact CE1-SG 3.52Å; F279-C283 WeakPolarHBondContact O-CB 3.45Å; F279-C283 PolarHBondContact O-N 3.4Å; F279-C283 PolarHBondContact O-SG 3.35Å; I280-C283 PolarHBondContact O-N 3.2Å; C283-F286 PolarHBondContact O-N 3.31Å; C283-V287 WeakPolarHBondContact O-CG2 3.13Å; C283-V287 PolarHBondContact O-N 3.11Å; C283-V287 VanDerWaalsContact O-N 3.11Å
284Y95.6Very high94.9Very high93 Ų9336.4 Ų36.437%0.36519%0.189SC..Hα-helixtrans-62.6-43.1176-170.1-84.9000111.6V253 M256 I280 A281 V282 F286 V287 F288V253-Y284 HydrophobicContact CG1-CE2 4.32Å; M256-Y284 HydrophobicContact CB-CD2 4.23Å; M256-Y284 HydrophobicContact CG-CD2 3.75Å; M256-Y284 HydrophobicContact CG-CG 4.42Å; I280-Y284 VanDerWaalsContact O-CB 3.31Å; I280-Y284 WeakPolarHBondContact O-CB 3.26Å; I280-Y284 PolarHBondContact O-N 3.17Å; A281-Y284 WeakPolarHBondContact O-CB 3.45Å; A281-Y284 PolarHBondContact O-N 3.44Å; V282-Y284 VanDerWaalsContact C-N 3.26Å; V282-Y284 PolarHBondContact O-N 2.93Å; Y284-F286 VanDerWaalsContact C-N 3.34Å; Y284-F286 PolarHBondContact O-N 3.48Å; Y284-V287 PolarHBondContact O-N 3.11Å; Y284-F288 WeakPolarHBondContact O-CB 3.21Å; Y284-F288 PolarHBondContact O-N 3.21Å
285A96.6Very high94.7Very high48 Ų4839 Ų3940%0.39721%0.211SC..Hα-helixtrans-61.3-39.1175.900000112.5A281 V282 S289A281-A285 PolarHBondContact O-N 2.66Å; V282-A285 WeakPolarHBondContact O-CB 3.49Å; V282-A285 PolarHBondContact O-N 3.36Å; V282-A285 VanDerWaalsContact O-N 3.15Å; A285-S289 VanDerWaalsContact O-CB 3.23Å; A285-S289 WeakPolarHBondContact O-CB 3.44Å; A285-S289 PolarHBondContact O-N 3.34Å; A285-S289 PolarHBondContact O-OG 3.38Å
286F96.5Very high94.5Very high29 Ų2941.6 Ų41.613%0.12723%0.226CC..Hα-helixtrans-64.9-45.1175.3-84.7-73.4000112.7V228 V282 C283 Y284 S289 A290 F387 L390 F391V228-F286 HydrophobicContact CG1-CB 4.03Å; V282-F286 HydrophobicContact CG1-CD2 3.8Å; V282-F286 HydrophobicContact CG1-CE2 3.58Å; V282-F286 VanDerWaalsContact O-CD2 3.26Å; V282-F286 WeakPolarHBondContact O-CD2 3.45Å; V282-F286 PolarHBondContact O-N 2.84Å; C283-F286 PolarHBondContact O-N 3.31Å; Y284-F286 VanDerWaalsContact C-N 3.34Å; Y284-F286 PolarHBondContact O-N 3.48Å; F286-S289 PolarHBondContact O-N 3.04Å; F286-A290 PolarHBondContact O-N 3.35Å; F286-F387 HydrophobicContact CD1-CD1 4.04Å; F286-L390 HydrophobicContact CE1-CB 3.96Å; F286-L390 HydrophobicContact CZ-CB 3.98Å; F286-F391 AromaticContact CD2-CD2 3.74Å; F286-F391 HydrophobicContact CD2-CD2 3.74Å; F286-F391 HydrophobicContact CD2-CE2 4.41Å; F286-F391 HydrophobicContact CE1-CB 4.24Å; F286-F391 HydrophobicContact CE2-CB 4.38Å; F286-F391 AromaticContact CE2-CD2 3.8Å; F286-F391 HydrophobicContact CE2-CD2 3.8Å; F286-F391 HydrophobicContact CG-CD2 4.31Å; F286-F391 HydrophobicContact CZ-CB 4.14Å; F286-F391 HydrophobicContact CZ-CD2 4.4Å
287V96.2Very high94.4Very high2 Ų241.6 Ų41.61%0.01223%0.226CC..Hα-helixtrans-63.3-43.8177.3176.50000110.7V228 T252 V253 C283 Y284 S289 A290 L291V228-V287 HydrophobicContact CG2-CG2 4.03Å; T252-V287 WeakPolarHBondContact OG1-CG1 3.31Å; V253-V287 HydrophobicContact CB-CG1 4.41Å; V253-V287 HydrophobicContact CG2-CG1 3.67Å; C283-V287 WeakPolarHBondContact O-CG2 3.13Å; C283-V287 PolarHBondContact O-N 3.11Å; C283-V287 VanDerWaalsContact O-N 3.11Å; Y284-V287 PolarHBondContact O-N 3.11Å; V287-S289 PolarHBondContact O-N 3.4Å; V287-A290 WeakPolarHBondContact O-CB 3.48Å; V287-A290 PolarHBondContact O-N 2.95Å; V287-L291 PolarHBondContact O-N 2.85Å
288F95.4Very high94.1Very high99 Ų9943.1 Ų43.143%0.43423%0.234SC..Hα-helixtrans-64.4-40176.3-173.4-109.1000112.3Y284 A290 L291 I292Y284-F288 WeakPolarHBondContact O-CB 3.21Å; Y284-F288 PolarHBondContact O-N 3.21Å; F288-A290 VanDerWaalsContact C-N 3.3Å; F288-A290 PolarHBondContact O-N 3.45Å; F288-L291 WeakPolarHBondContact O-CB 3.34Å; F288-L291 PolarHBondContact O-N 3.5Å; F288-L291 VanDerWaalsContact O-N 3.12Å; F288-I292 HydrophobicContact CD1-CD1 3.76Å; F288-I292 HydrophobicContact CD1-CG1 4.48Å; F288-I292 HydrophobicContact CE1-CD1 3.44Å; F288-I292 VanDerWaalsContact CE1-CD1 3.44Å; F288-I292 HydrophobicContact CE1-CG1 4.22Å; F288-I292 HydrophobicContact CZ-CD1 4.13Å; F288-I292 PolarHBondContact O-N 3.04Å; F288-I292 VanDerWaalsContact O-N 3.1Å
289S95Very high93.7Very high47 Ų4745.1 Ų45.133%0.32924%0.243SC..Hα-helixtrans-64.1-33.6176.2-61.40000112.3A285 F286 V287 L291 I292 E293A285-S289 VanDerWaalsContact O-CB 3.23Å; A285-S289 WeakPolarHBondContact O-CB 3.44Å; A285-S289 PolarHBondContact O-N 3.34Å; A285-S289 PolarHBondContact O-OG 3.38Å; F286-S289 PolarHBondContact O-N 3.04Å; V287-S289 PolarHBondContact O-N 3.4Å; S289-L291 VanDerWaalsContact C-N 3.32Å; S289-L291 PolarHBondContact O-N 3.02Å; S289-I292 PolarHBondContact O-N 2.95Å; S289-E293 WeakPolarHBondContact O-CB 3.49Å; S289-E293 PolarHBondContact O-N 3.47Å
290A93.5Very high93.2Very high3 Ų351.2 Ų51.23%0.02527%0.27CS..Hα-helixtrans-65.6-34.3173.300000112.4F235 F286 V287 F288 E293 F294F235-A290 HydrophobicContact CE1-CB 4.06Å; F235-A290 HydrophobicContact CZ-CB 3.8Å; F286-A290 PolarHBondContact O-N 3.35Å; V287-A290 WeakPolarHBondContact O-CB 3.48Å; V287-A290 PolarHBondContact O-N 2.95Å; F288-A290 VanDerWaalsContact C-N 3.3Å; F288-A290 PolarHBondContact O-N 3.45Å; A290-E293 WeakPolarHBondContact O-CB 3.31Å; A290-E293 PolarHBondContact O-N 3.47Å; A290-F294 PolarHBondContact O-N 3.02Å; A290-F294 VanDerWaalsContact O-N 3.09Å
291L92.9Very high92.5Very high45 Ų4552.4 Ų52.424%0.23628%0.277CS..Hα-helixtrans-69.2-40174.3-174.866.3000111.9V287 F288 S289 F294 A295V287-L291 PolarHBondContact O-N 2.85Å; F288-L291 WeakPolarHBondContact O-CB 3.34Å; F288-L291 PolarHBondContact O-N 3.5Å; F288-L291 VanDerWaalsContact O-N 3.12Å; S289-L291 VanDerWaalsContact C-N 3.32Å; S289-L291 PolarHBondContact O-N 3.02Å; L291-F294 HydrophobicContact CD1-CD1 4.4Å; L291-F294 PolarHBondContact O-N 3.13Å; L291-A295 PolarHBondContact O-N 2.92Å
292I94Very high91.3Very high85 Ų8559.1 Ų59.144%0.43630%0.296SS..Hα-helixtrans-64.7-41.1174.6-67.5173.1000111.1F288 S289 F294 A295 T296F288-I292 HydrophobicContact CD1-CD1 3.76Å; F288-I292 HydrophobicContact CD1-CG1 4.48Å; F288-I292 HydrophobicContact CE1-CD1 3.44Å; F288-I292 VanDerWaalsContact CE1-CD1 3.44Å; F288-I292 HydrophobicContact CE1-CG1 4.22Å; F288-I292 HydrophobicContact CZ-CD1 4.13Å; F288-I292 PolarHBondContact O-N 3.04Å; F288-I292 VanDerWaalsContact O-N 3.1Å; S289-I292 PolarHBondContact O-N 2.95Å; I292-F294 VanDerWaalsContact C-N 3.32Å; I292-F294 PolarHBondContact O-N 3.26Å; I292-A295 PolarHBondContact O-N 2.97Å; I292-T296 PolarHBondContact O-N 3.37Å; I292-T296 PolarHBondContact O-OG1 3.07Å
293E93.9Very high90.1Very high11 Ų1163.3 Ų63.35%0.05131%0.308CS..Hα-helixtrans-56.2-49.3174.6-171.3-77.2161.600110.5F235 R245 S289 A290 A295 T296 V297 I379 S383F235-E293 HydrophobicContact CD1-CG 4.37Å; F235-E293 WeakPolarHBondContact CD1-OE2 3.5Å; F235-E293 HydrophobicContact CE1-CB 4.04Å; F235-E293 HydrophobicContact CE1-CG 3.81Å; F235-E293 VanDerWaalsContact CE1-OE2 3.31Å; F235-E293 WeakPolarHBondContact CE1-OE2 3.46Å; F235-E293 HydrophobicContact CZ-CG 4.44Å; R245-E293 IonicContact NH2-OE1 3.34Å; R245-E293 IonicContact NH2-OE2 3.66Å; R245-E293 PolarHBondContact NH2-OE2 3.27Å; S289-E293 WeakPolarHBondContact O-CB 3.49Å; S289-E293 PolarHBondContact O-N 3.47Å; A290-E293 WeakPolarHBondContact O-CB 3.31Å; A290-E293 PolarHBondContact O-N 3.47Å; E293-A295 PolarHBondContact O-N 3.34Å; E293-T296 WeakPolarHBondContact O-CB 3.42Å; E293-T296 PolarHBondContact O-N 2.93Å; E293-T296 VanDerWaalsContact O-N 3.13Å; E293-V297 WeakPolarHBondContact O-CG2 3.47Å; E293-V297 PolarHBondContact O-N 2.95Å; E293-V297 WeakPolarHBondContact OE1-CG2 3.38Å; E293-I379 HydrophobicContact CG-CG2 4.23Å; E293-S383 WeakPolarHBondContact CG-OG 3.4Å; E293-S383 PolarHBondContact OE1-OG 3.33Å
294F91.3Very high88.8Confident16 Ų1666.4 Ų66.47%0.0734%0.34CS..Hα-helixtrans-60.1-44.3177165-113.5000112.4V242 R245 T246 A290 L291 I292 T296 V297 N298V242-F294 HydrophobicContact CG1-CE2 4.49Å; V242-F294 HydrophobicContact CG1-CZ 3.9Å; R245-F294 HydrophobicContact CB-CD2 3.56Å; R245-F294 HydrophobicContact CB-CE2 3.4Å; R245-F294 VanDerWaalsContact CB-CE2 3.4Å; R245-F294 HydrophobicContact CB-CG 4.22Å; R245-F294 HydrophobicContact CB-CZ 3.95Å; R245-F294 HydrophobicContact CG-CD2 4.33Å; R245-F294 HydrophobicContact CG-CE2 4.32Å; T246-F294 VanDerWaalsContact OG1-CE1 3.24Å; T246-F294 WeakPolarHBondContact OG1-CE1 3.48Å; T246-F294 VanDerWaalsContact OG1-CZ 3.27Å; T246-F294 WeakPolarHBondContact OG1-CZ 3.44Å; A290-F294 PolarHBondContact O-N 3.02Å; A290-F294 VanDerWaalsContact O-N 3.09Å; L291-F294 HydrophobicContact CD1-CD1 4.4Å; L291-F294 PolarHBondContact O-N 3.13Å; I292-F294 VanDerWaalsContact C-N 3.32Å; I292-F294 PolarHBondContact O-N 3.26Å; F294-T296 PolarHBondContact O-N 3.33Å; F294-V297 PolarHBondContact O-N 3.26Å; F294-N298 HydrophobicContact CE2-CB 4.42Å; F294-N298 WeakPolarHBondContact O-CB 3.24Å; F294-N298 PolarHBondContact O-N 3.24Å
295A91.1Very high87.6Confident56 Ų5671.9 Ų71.946%0.46336%0.36SS..Hα-helixtrans-58.9-40.3176.600000111.6L291 I292 E293 N298 Y299L291-A295 PolarHBondContact O-N 2.92Å; I292-A295 PolarHBondContact O-N 2.97Å; E293-A295 PolarHBondContact O-N 3.34Å; A295-N298 PolarHBondContact O-N 2.96Å; A295-Y299 WeakPolarHBondContact O-CB 3.36Å; A295-Y299 PolarHBondContact O-N 3.48Å
296T90.2Very high86.3Confident53 Ų5372.6 Ų72.633%0.32537%0.365SS..Hα-helixtrans-66.4-46.1177.2-51.60000111.3I292 E293 F294 N298 Y299 F300 I379I292-T296 PolarHBondContact O-N 3.37Å; I292-T296 PolarHBondContact O-OG1 3.07Å; E293-T296 WeakPolarHBondContact O-CB 3.42Å; E293-T296 PolarHBondContact O-N 2.93Å; E293-T296 VanDerWaalsContact O-N 3.13Å; F294-T296 PolarHBondContact O-N 3.33Å; T296-N298 VanDerWaalsContact C-N 3.32Å; T296-N298 PolarHBondContact O-N 3.09Å; T296-Y299 PolarHBondContact O-N 3.21Å; T296-F300 HydrophobicContact CG2-CD2 3.91Å; T296-F300 HydrophobicContact CG2-CE2 3.72Å; T296-F300 WeakPolarHBondContact O-CD2 3.38Å; T296-F300 PolarHBondContact O-N 2.86Å; T296-F300 VanDerWaalsContact O-N 3.15Å; T296-I379 HydrophobicContact CG2-CD1 3.99Å
297V89.4Confident85Confident2 Ų278.1 Ų78.11%0.01239%0.385CS..Hα-helixtrans-61.4-41.7176.4171.70000111.2R239 E293 F294 F300 T301 I379R239-V297 HydrophobicContact CB-CG1 4.01Å; E293-V297 WeakPolarHBondContact O-CG2 3.47Å; E293-V297 PolarHBondContact O-N 2.95Å; E293-V297 WeakPolarHBondContact OE1-CG2 3.38Å; F294-V297 PolarHBondContact O-N 3.26Å; V297-F300 PolarHBondContact O-N 3.02Å; V297-T301 PolarHBondContact O-N 2.69Å; V297-T301 VanDerWaalsContact O-N 3.11Å; V297-T301 PolarHBondContact O-OG1 3.5Å; V297-I379 HydrophobicContact CG2-CB 4.17Å; V297-I379 HydrophobicContact CG2-CG2 4.07Å
298N88.1Confident83.7Confident65 Ų6582.9 Ų82.935%0.34841%0.411SS..Hα-helixtrans-64.8-43.1177.8-167.63.6000111.3F294 A295 T296 F300 T301F294-N298 HydrophobicContact CE2-CB 4.42Å; F294-N298 WeakPolarHBondContact O-CB 3.24Å; F294-N298 PolarHBondContact O-N 3.24Å; A295-N298 PolarHBondContact O-N 2.96Å; T296-N298 VanDerWaalsContact C-N 3.32Å; T296-N298 PolarHBondContact O-N 3.09Å; N298-F300 VanDerWaalsContact C-N 3.31Å; N298-F300 PolarHBondContact O-N 3.4Å; N298-T301 WeakPolarHBondContact O-CB 3.46Å; N298-T301 PolarHBondContact O-N 3.35Å
299Y87.6Confident82.4Confident193 Ų19380.5 Ų80.576%0.75741%0.414SS*.Hα-helixtrans-58.8-39.5176.2-176-100.3000113.2A295 T296 T301A295-Y299 WeakPolarHBondContact O-CB 3.36Å; A295-Y299 PolarHBondContact O-N 3.48Å; T296-Y299 PolarHBondContact O-N 3.21Å; Y299-T301 VanDerWaalsContact C-N 3.31Å; Y299-T301 PolarHBondContact O-N 3.45Å
300F85.6Confident81Confident129 Ų12987.1 Ų87.157%0.56644%0.437SS*.THydrogen-bonded Turntrans-84.80.8176.7-68.5-65.3000114.2T296 V297 N298 K302 I379T296-F300 HydrophobicContact CG2-CD2 3.91Å; T296-F300 HydrophobicContact CG2-CE2 3.72Å; T296-F300 WeakPolarHBondContact O-CD2 3.38Å; T296-F300 PolarHBondContact O-N 2.86Å; T296-F300 VanDerWaalsContact O-N 3.15Å; V297-F300 PolarHBondContact O-N 3.02Å; N298-F300 VanDerWaalsContact C-N 3.31Å; N298-F300 PolarHBondContact O-N 3.4Å; F300-K302 PolarHBondContact O-N 3.27Å; F300-I379 HydrophobicContact CD2-CD1 3.9Å; F300-I379 HydrophobicContact CE2-CD1 4.37Å
301T80.4Confident79.3Confident30 Ų3089.6 Ų89.618%0.18445%0.454CS..  trans-82.1102.9178.3-66.10000110.2R239 V297 N298 Y299 R303R239-T301 HydrophobicContact CG-CG2 4.15Å; V297-T301 PolarHBondContact O-N 2.69Å; V297-T301 VanDerWaalsContact O-N 3.11Å; V297-T301 PolarHBondContact O-OG1 3.5Å; N298-T301 WeakPolarHBondContact O-CB 3.46Å; N298-T301 PolarHBondContact O-N 3.35Å; Y299-T301 VanDerWaalsContact C-N 3.31Å; Y299-T301 PolarHBondContact O-N 3.45Å; T301-R303 VanDerWaalsContact CG2-O 3.28Å; T301-R303 WeakPolarHBondContact CG2-O 3.34Å; T301-R303 PolarHBondContact O-N 2.92Å
302K71.2Confident77.4Confident195 Ų19594.3 Ų94.385%0.84848%0.478SS*.  trans-76.7-15.6-175.3-64.2-177.8178.8-178.60114.9F300F300-K302 PolarHBondContact O-N 3.27Å
303R71.9Confident75.1Confident129 Ų12996.2 Ų96.249%0.48749%0.494SS..  trans-143.2141.2-174.6-62.3-179.5-180131.5-4.3111.2T301 T372 N374T301-R303 VanDerWaalsContact CG2-O 3.28Å; T301-R303 WeakPolarHBondContact CG2-O 3.34Å; T301-R303 PolarHBondContact O-N 2.92Å; R303-T372 PolarHBondContact NH1-O 3.33Å; R303-T372 PolarHBondContact NH1-OG1 3.49Å; R303-T372 PolarHBondContact NH2-OG1 2.78Å; R303-N374 PolarHBondContact O-ND2 3.37Å
304G67.5Low72.4Confident64 Ų64102.8 Ų102.866%0.6653%0.529SS*.  trans-99.87.5-17600000116.9
305W70.8Confident70Confident209 Ų209109.4 Ų109.479%0.79257%0.565SS**  trans-101.8133-172.1-64.254.3000110.9
306A70.9Confident67.3Low62 Ų62116.2 Ų116.251%0.51258%0.584SS.*  trans-77154.6-175.300000115.5E240 D308E240-A306 HydrophobicContact CB-CB 4.11Å; E240-A306 VanDerWaalsContact CD-CA 3.41Å; E240-A306 HydrophobicContact CG-CB 4.46Å; E240-A306 WeakPolarHBondContact OE2-CA 3.43Å; E240-A306 WeakPolarHBondContact OE2-CB 3.36Å; A306-D308 PolarHBondContact O-N 2.85Å
307W69Low64.7Low145 Ų145123.3 Ų123.355%0.54961%0.611SS.*  trans-62.8107.3172.9-172.475.6000111.1E240 G309 S311 F373E240-W307 PolarHBondContact OE2-N 2.8Å; W307-G309 PolarHBondContact O-N 3.49Å; W307-S311 PolarHBondContact NE1-OG 3.32Å; W307-F373 HydrophobicContact CB-CD1 4.05Å; W307-F373 HydrophobicContact CB-CE1 4.35Å; W307-F373 AromaticContact CD1-CD1 3.59Å; W307-F373 AromaticContact CD1-CD2 3.62Å; W307-F373 AromaticContact CD1-CE1 3.8Å; W307-F373 AromaticContact CD1-CE2 3.85Å; W307-F373 AromaticContact CD1-CG 3.49Å; W307-F373 VanDerWaalsContact CD1-CG 3.49Å; W307-F373 AromaticContact CD1-CZ 3.91Å; W307-F373 HydrophobicContact CG-CD1 4.2Å; W307-F373 HydrophobicContact CG-CE1 4.36Å; W307-F373 HydrophobicContact CG-CG 4.43Å
308D68.3Low61.8Low103 Ų103132.7 Ų132.755%0.55165%0.651SS**  trans-81.9110.2172.7-169.513.5000106.9A306 K310A306-D308 PolarHBondContact O-N 2.85Å; D308-K310 PolarHBondContact O-N 2.91Å
309G66.9Low59.1Low48 Ų48138.8 Ų138.850%0.49568%0.678SS.*THydrogen-bonded Turntrans-66.526-16100000118.3W307W307-G309 PolarHBondContact O-N 3.49Å
310K65.6Low56.5Low187 Ų187134 Ų13481%0.81368%0.678SS**THydrogen-bonded Turntrans-1167.5-177-69.1-179.4177.8177.10114.4D308 I312D308-K310 PolarHBondContact O-N 2.91Å; K310-I312 PolarHBondContact O-N 2.88Å
311S58.8Low53.7Low55 Ų55134.6 Ų134.639%0.38569%0.692SS.*  trans-91.716.7-16557.70000117.8W307 F373W307-S311 PolarHBondContact NE1-OG 3.32Å; S311-F373 VanDerWaalsContact CB-CE2 3.41Å; S311-F373 WeakPolarHBondContact OG-CE2 3.17Å
312I52.8Low51.3Low143 Ų143139.5 Ų139.573%0.73372%0.722SS**  trans-138.181174.8-44.3172.5000111.1K310K310-I312 PolarHBondContact O-N 2.88Å
313V45.7Very low49.2Very low126 Ų126140.4 Ų140.476%0.76473%0.726SS**  trans-144.7130.1153.6-179.80000109.4
314N37Very low47.1Very low148 Ų148145.5 Ų145.579%0.79175%0.745SS**  trans89.680.8170.3-63.6-18.8000118.5
315D40.6Very low45.1Very low156 Ų156151.8 Ų151.883%0.83476%0.757SS**  trans-13978133.8-119.4-20000109.5
316K34.8Very low43Very low199 Ų199151.3 Ų151.387%0.86576%0.761SS**  trans-111.598.8155.6-81.6-167.4178.4-1770107.1K318K316-K318 PolarHBondContact O-N 2.8Å; K316-K318 VanDerWaalsContact O-N 3.11Å
317K35.6Very low40.9Very low202 Ų202154.3 Ų154.388%0.87877%0.768SS**  trans-45.4114.3160.4-95176.6169.9178.10108.7
318K29.4Very low38.8Very low199 Ų199154.1 Ų154.187%0.86578%0.783SS**  trans-88.3107.6156.5-87.5-175.4173-179.20106.9K316 A320K316-K318 PolarHBondContact O-N 2.8Å; K316-K318 VanDerWaalsContact O-N 3.11Å; K318-A320 PolarHBondContact O-N 2.93Å
319E31.7Very low36.9Very low193 Ų193158.6 Ų158.690%0.90279%0.794SS**  trans-60.7120.6153.2-73.4178.9158.400107.4
320A31Very low35.1Very low92 Ų92161.4 Ų161.476%0.7681%0.812SS**  trans-133.7110.4169.100000108.4K318K318-A320 PolarHBondContact O-N 2.93Å
321T27.5Very low33.2Very low141 Ų141159.2 Ų159.287%0.86581%0.814SS**  trans-56.8143.4179.5-24.10000112.1K323T321-K323 PolarHBondContact O-N 3.14Å
322V30.5Very low31.7Very low134 Ų134160.5 Ų160.581%0.81283%0.828SS**  trans-48.5121.3174.4175.50000112.3
323K27.6Very low30.4Very low213 Ų213160 Ų16093%0.92683%0.832SS**  trans-139.4132.5147.4-89.1-172.1179.6178.10110.2T321T321-K323 PolarHBondContact O-N 3.14Å
324R27Very low29.6Very low236 Ų236157.4 Ų157.489%0.89182%0.823SS**  trans-95.5125.3-168.7-175.7-175.1-169.81773.7108.1
325E25.1Very low29.2Very low196 Ų196157.9 Ų157.992%0.91683%0.826SS**  trans-144.5143.6165.4-134.4168.2-163.800111.8
326K26.2Very low28.5Very low199 Ų199160.3 Ų160.387%0.86583%0.825SS**  trans-87.9149.7-153.8-68.1171.7175.7174.30112.9
327N27.1Very low28.1Very low125 Ų125158.9 Ų158.967%0.66882%0.819SS**  trans-54.3145.3171-59.9-14.5000113.2Y329N327-Y329 HydrophobicContact CB-CE2 4.39Å
328T26.3Very low28.1Very low142 Ų142152.8 Ų152.887%0.87180%0.8SS**  trans-150.1130.3141.3-46.60000109.3
329Y28.3Very low28Very low197 Ų197148.9 Ų148.977%0.77379%0.788SS**  trans-87.6145.4178.1-54.7-93.3000110.1N327N327-Y329 HydrophobicContact CB-CE2 4.39Å
330A28.2Very low27.9Very low106 Ų106145.7 Ų145.788%0.87678%0.776SS**  trans-152.1129.5150.200000110.8
331V25.9Very low27.7Very low141 Ų141145.5 Ų145.586%0.85577%0.766SS**  trans-81.5140.9-179.31680000110
332A27Very low27.9Very low83 Ų83147.5 Ų147.569%0.68676%0.762SS**  trans174.6114.2132.800000110.9
333V26.2Very low27.7Very low133 Ų133147.9 Ų147.981%0.80676%0.76SS**  95.4108.199.2177.20000112.4
334A28.7Very low27.6Very low71 Ų71143 Ų14359%0.58775%0.752SS**  trans33.3127138.900000119.8
335N28.7Very low27.8Very low157 Ų157138.3 Ų138.384%0.8475%0.75SS**  -169.1130.986.9-95.9-40.6000113
336Y25.9Very low28Very low207 Ų207136.8 Ų136.881%0.81275%0.748SS**  trans-40.8150.5151.4-121.5-128.5000110
337K27.2Very low28.8Very low170 Ų170131.6 Ų131.674%0.73973%0.734SS**  163.217182.9-123.8-135.9167.7160.90106.8
338P35.7Very low28.8Very low74 Ų74132.6 Ų132.648%0.48175%0.745SS.*  -142-156.1-98.135.1-10.8000111.2
339N26.6Very low28.9Very low117 Ų117132.4 Ų132.463%0.62674%0.737SS**  trans81.6121.4132.4-85.53000117.2
340I30.2Very low28.8Very low126 Ų126128.9 Ų128.965%0.64674%0.741SS**  105.8140.890.2-87.7179.2000106.3
341T26.7Very low28.6Very low88 Ų88131.8 Ų131.854%0.5473%0.734SS.*  cis179160.70.738.40000102.3
342K29.8Very low28.5Very low183 Ų183131.8 Ų131.880%0.79674%0.739SS**  166.2119.585.8-110.6158-174.1-173.50102.9
343D26.4Very low28.3Very low142 Ų142132.7 Ų132.776%0.75974%0.736SS**  80.8143.370.6-88.9-26.7000115.6
344S26.2Very low28.3Very low109 Ų109133.7 Ų133.776%0.76274%0.736SS**  trans83.6121.516475.20000115.4
345T31.4Very low28.1Very low139 Ų139137.2 Ų137.285%0.85375%0.745SS**  -142.2143.351.244.60000115.4
346L28.9Very low28Very low164 Ų164137.8 Ų137.886%0.85974%0.743SS**  trans-86.7-168.8173.5-79.4154.7000110.7
347P42.6Very low28.3Very low89 Ų89133.3 Ų133.358%0.57874%0.739SS**  -138.3179.4-58.739.5-23.3000112
348T27.1Very low28.1Very low147 Ų147131.3 Ų131.390%0.90274%0.736SS**  trans-147.9136.1138.2-73.70000110.1
349I28.8Very low27.5Very low137 Ų137137.5 Ų137.570%0.70376%0.756SS**  trans-88140.3-161.5-71158000111.2
350S25.8Very low27.6Very low124 Ų124139.2 Ų139.287%0.86776%0.763SS**  trans-146105.6136.1175.40000107.9
351K25.5Very low27.3Very low167 Ų167139.5 Ų139.573%0.72677%0.771SS**  trans-95136.2170.6-87.5178.9174.4176.60108
352C23.5Very low27.2Very low141 Ų141139 Ų13995%0.95378%0.783SS**  trans-135123.4131.6-97.60000108.4
353T23Very low27.2Very low102 Ų102134 Ų13463%0.62678%0.784SS**  trans-102.6157.6-174.334.50000111.6
354L26Very low27.3Very low153 Ų153133.5 Ų133.580%0.80179%0.786SS**  trans151.3138.7140.1-80.7153.1000106.9
355N24.3Very low27.6Very low146 Ų146138.1 Ų138.178%0.78179%0.792SS**  cis-172.5134.1-17.4-116.78.9000104.6
356E26.2Very low27.6Very low168 Ų168137.1 Ų137.179%0.78579%0.788SS**  trans-78.9166170.3-121179.2-168.300110.5
357P31.8Very low27.9Very low114 Ų114137.5 Ų137.574%0.7479%0.786SS**  -155.4152.365.438.2-15000119.8
358N23.6Very low27.6Very low128 Ų128142.5 Ų142.568%0.68480%0.801SS**  trans44.8118.1140.2-73.6-27.8000122.7
359K24.2Very low28.3Very low204 Ų204142.8 Ų142.889%0.88780%0.797SS**  trans-144.5113.2132.1-115.6177.9-176.3177.50110.7
360I27.5Very low29Very low152 Ų152145 Ų14578%0.77980%0.801SS**  trans-82.6128166.7-65.6168.4000107.6
361T24.4Very low30.4Very low133 Ų133145.9 Ų145.982%0.81679%0.79SS**  trans-165.4129.4151.19.20000110.1
362G25Very low32.2Very low76 Ų76141.8 Ų141.878%0.78478%0.779SS**  trans85.498.2154.900000115.9
363G29.6Very low34.1Very low79 Ų79138.3 Ų138.381%0.81475%0.748SS**  trans-65.5146.9174.100000113.7
364T27.5Very low36.4Very low131 Ų131134.7 Ų134.780%0.80473%0.725SS**  trans-150.2106.9143.4-31.30000105.6P366T364-P366 VanDerWaalsContact O-CD 3.23Å; T364-P366 WeakPolarHBondContact O-CD 3.33Å
365K32Very low38.5Very low207 Ų207132.2 Ų132.290%0.972%0.72SS**  trans-67.8120.5163.6-88.8177.9173.1174.40106.6
366P31.9Very low40.8Very low117 Ų117129.4 Ų129.476%0.7671%0.708SS**  trans-86.8112.3157.35.316.3000107.1T364T364-P366 VanDerWaalsContact O-CD 3.23Å; T364-P366 WeakPolarHBondContact O-CD 3.33Å
367E34.9Very low43.4Very low173 Ų173122.4 Ų122.481%0.80868%0.677SS**  trans34.2117.7150.6-64.2-175.8135.800118.7N369E367-N369 PolarHBondContact O-N 3.31Å
368Q38.1Very low45.9Very low193 Ų193123.2 Ų123.290%0.90267%0.674SS**  trans-50.8107.7151.1-81.2175-28.300108.1K370Q368-K370 PolarHBondContact O-N 3.36Å
369N40.3Very low49Very low153 Ų153119.7 Ų119.782%0.81866%0.655SS**  trans-48.5103.1166.3-92.8-30.6000107.8E367 K371E367-N369 PolarHBondContact O-N 3.31Å; N369-K371 VanDerWaalsContact C-N 3.34Å; N369-K371 PolarHBondContact O-N 3.3Å
370K43.9Very low52Low183 Ų183110.1 Ų110.180%0.79661%0.613SS**  trans-57.4103.4168.1-75.4-179.8177.6178.90105.6Q368 T372Q368-K370 PolarHBondContact O-N 3.36Å; K370-T372 VanDerWaalsContact C-N 3.29Å; K370-T372 PolarHBondContact O-N 3.19Å
371K55.8Low54.9Low144 Ų144111.7 Ų111.763%0.62661%0.609SS**  trans-6296.4174.2-70.7-174.7-178.6-179.70106.9N369 F373N369-K371 VanDerWaalsContact C-N 3.34Å; N369-K371 PolarHBondContact O-N 3.3Å; K371-F373 HydrophobicContact CB-CE2 4.38Å; K371-F373 HydrophobicContact CB-CZ 4.24Å; K371-F373 WeakPolarHBondContact O-CD2 3.42Å; K371-F373 VanDerWaalsContact O-CE2 3.27Å; K371-F373 WeakPolarHBondContact O-CE2 3.19Å; K371-F373 PolarHBondContact O-N 2.98Å
372T61.7Low58.1Low80 Ų80110 Ų11049%0.49159%0.594SS.*PPolyproline II helixtrans-80.6117.6175.346.40000108.4R303 K370R303-T372 PolarHBondContact NH1-O 3.33Å; R303-T372 PolarHBondContact NH1-OG1 3.49Å; R303-T372 PolarHBondContact NH2-OG1 2.78Å; K370-T372 VanDerWaalsContact C-N 3.29Å; K370-T372 PolarHBondContact O-N 3.19Å
373F65.3Low61.4Low68 Ų68106.8 Ų106.830%0.29856%0.56SS.*PPolyproline II helixtrans-81.1160.8179.9-61.6-83.7000111.8W307 S311 K371W307-F373 HydrophobicContact CB-CD1 4.05Å; W307-F373 HydrophobicContact CB-CE1 4.35Å; W307-F373 AromaticContact CD1-CD1 3.59Å; W307-F373 AromaticContact CD1-CD2 3.62Å; W307-F373 AromaticContact CD1-CE1 3.8Å; W307-F373 AromaticContact CD1-CE2 3.85Å; W307-F373 AromaticContact CD1-CG 3.49Å; W307-F373 VanDerWaalsContact CD1-CG 3.49Å; W307-F373 AromaticContact CD1-CZ 3.91Å; W307-F373 HydrophobicContact CG-CD1 4.2Å; W307-F373 HydrophobicContact CG-CE1 4.36Å; W307-F373 HydrophobicContact CG-CG 4.43Å; S311-F373 VanDerWaalsContact CB-CE2 3.41Å; S311-F373 WeakPolarHBondContact OG-CE2 3.17Å; K371-F373 HydrophobicContact CB-CE2 4.38Å; K371-F373 HydrophobicContact CB-CZ 4.24Å; K371-F373 WeakPolarHBondContact O-CD2 3.42Å; K371-F373 VanDerWaalsContact O-CE2 3.27Å; K371-F373 WeakPolarHBondContact O-CE2 3.19Å; K371-F373 PolarHBondContact O-N 2.98Å
374N69.5Low64.4Low27 Ų27106 Ų10614%0.14453%0.532CS..PPolyproline II helixtrans-72.1123176.9-98.2-0.5000108.8R239 E240 R303R239-N374 VanDerWaalsContact CZ-CB 3.5Å; R239-N374 PolarHBondContact NH2-O 3.3Å; E240-N374 WeakPolarHBondContact OE1-CB 3.42Å; R303-N374 PolarHBondContact O-ND2 3.37Å
375S71.9Confident67.6Low100 Ų100105.1 Ų105.170%0.69952%0.522SS*.PPolyproline II helixtrans-81.5140.7175.655.80000111.9R239 S377R239-S375 VanDerWaalsContact CZ-C 3.47Å; R239-S375 PolarHBondContact NH1-O 2.98Å; R239-S375 PolarHBondContact NH2-O 3.08Å; S375-S377 PolarHBondContact O-N 3.34Å
376V71.8Confident70.6Confident88 Ų8899.8 Ų99.853%0.53350%0.501SS..  trans-45.5128.2-176.61800000110.4I378V376-I378 PolarHBondContact O-N 3.27Å
377S79.7Confident73.6Confident20 Ų2095.8 Ų95.814%0.1447%0.472CS..  trans-59.2132.5-178.5-174.80000109.3S375 I379 D380 R381S375-S377 PolarHBondContact O-N 3.34Å; S377-I379 PolarHBondContact O-N 3.49Å; S377-I379 WeakPolarHBondContact OG-CB 3.36Å; S377-I379 PolarHBondContact OG-N 3.46Å; S377-D380 VanDerWaalsContact CB-OD2 3.32Å; S377-D380 WeakPolarHBondContact CB-OD2 3.23Å; S377-D380 PolarHBondContact O-N 3.5Å; S377-R381 PolarHBondContact O-N 3.12Å; S377-R381 VanDerWaalsContact O-N 3.09Å
378I85.3Confident76.5Confident131 Ų13190.2 Ų90.267%0.67245%0.45SS*.Hα-helixtrans-58.5-33.5173.3-63.3171.6000109.3V376 R381 I382V376-I378 PolarHBondContact O-N 3.27Å; I378-R381 PolarHBondContact O-N 2.93Å; I378-I382 HydrophobicContact CG2-CD1 3.83Å; I378-I382 HydrophobicContact CG2-CG1 4.44Å; I378-I382 WeakPolarHBondContact O-CG1 3.34Å; I378-I382 PolarHBondContact O-N 3.12Å
379I87.8Confident79.2Confident54 Ų5485.3 Ų85.328%0.27743%0.434SS..Hα-helixtrans-62.3-54.4177-55.3164.5000109.9E293 T296 V297 F300 S377 R381 I382 S383E293-I379 HydrophobicContact CG-CG2 4.23Å; T296-I379 HydrophobicContact CG2-CD1 3.99Å; V297-I379 HydrophobicContact CG2-CB 4.17Å; V297-I379 HydrophobicContact CG2-CG2 4.07Å; F300-I379 HydrophobicContact CD2-CD1 3.9Å; F300-I379 HydrophobicContact CE2-CD1 4.37Å; S377-I379 PolarHBondContact O-N 3.49Å; S377-I379 WeakPolarHBondContact OG-CB 3.36Å; S377-I379 PolarHBondContact OG-N 3.46Å; I379-R381 PolarHBondContact O-N 2.84Å; I379-I382 PolarHBondContact O-N 3.26Å; I379-I382 VanDerWaalsContact O-N 3.13Å; I379-S383 WeakPolarHBondContact O-CB 3.47Å; I379-S383 PolarHBondContact O-N 2.98Å; I379-S383 PolarHBondContact O-OG 3.32Å
380D87.6Confident81.9Confident3 Ų382 Ų822%0.01642%0.415CS..Hα-helixtrans-55.8-40.3177.1-74.2-56.1000111R245 S377 S383 R384R245-D380 IonicContact CZ-OD1 2.8Å; R245-D380 IonicContact NH1-OD1 3.51Å; R245-D380 PolarHBondContact NH1-OD1 2.99Å; R245-D380 IonicContact NH1-OD2 2.91Å; R245-D380 IonicContact NH2-OD1 2.93Å; R245-D380 PolarHBondContact NH2-OD1 2.82Å; S377-D380 VanDerWaalsContact CB-OD2 3.32Å; S377-D380 WeakPolarHBondContact CB-OD2 3.23Å; S377-D380 PolarHBondContact O-N 3.5Å; D380-S383 PolarHBondContact O-N 2.95Å; D380-R384 WeakPolarHBondContact O-CG 3.31Å; D380-R384 PolarHBondContact O-N 3.13Å
381R89Confident84.4Confident185 Ų18573.7 Ų73.770%0.69838%0.379SS*.Hα-helixtrans-66.3-38.6-179-174.5176.9165.5-162.8-4.9112.7S377 I378 I379S377-R381 PolarHBondContact O-N 3.12Å; S377-R381 VanDerWaalsContact O-N 3.09Å; I378-R381 PolarHBondContact O-N 2.93Å; I379-R381 PolarHBondContact O-N 2.84Å
382I92Very high86.4Confident98 Ų9868.7 Ų68.750%0.50337%0.369SS..Hα-helixtrans-72.5-45.8175.8-67.2168.5000109.9I378 I379 R384 I385 M386I378-I382 HydrophobicContact CG2-CD1 3.83Å; I378-I382 HydrophobicContact CG2-CG1 4.44Å; I378-I382 WeakPolarHBondContact O-CG1 3.34Å; I378-I382 PolarHBondContact O-N 3.12Å; I379-I382 PolarHBondContact O-N 3.26Å; I379-I382 VanDerWaalsContact O-N 3.13Å; I382-R384 VanDerWaalsContact C-N 3.27Å; I382-R384 PolarHBondContact O-N 3.42Å; I382-I385 PolarHBondContact O-N 2.83Å; I382-M386 HydrophobicContact CG2-CB 4.49Å; I382-M386 HydrophobicContact CG2-CG 3.65Å; I382-M386 WeakPolarHBondContact O-CB 3.41Å; I382-M386 PolarHBondContact O-N 3.46Å
383S93.3Very high88Confident9 Ų967.8 Ų67.86%0.06337%0.366CS..Hα-helixtrans-58.6-37.3-179-60.40000112.6E293 I379 D380 I385 F387E293-S383 WeakPolarHBondContact CG-OG 3.4Å; E293-S383 PolarHBondContact OE1-OG 3.33Å; I379-S383 WeakPolarHBondContact O-CB 3.47Å; I379-S383 PolarHBondContact O-N 2.98Å; I379-S383 PolarHBondContact O-OG 3.32Å; D380-S383 PolarHBondContact O-N 2.95Å; S383-I385 PolarHBondContact O-N 2.95Å; S383-F387 WeakPolarHBondContact O-CB 3.47Å; S383-F387 PolarHBondContact O-N 2.88Å; S383-F387 VanDerWaalsContact O-N 3.12Å
384R93.4Very high89.6Confident61 Ų6166.6 Ų66.623%0.2336%0.361CS..Hα-helixtrans-57.5-26.7175.4-77.5169.6-164.8-168.92.3114.6F235 W236 D380 I382 P388F235-R384 HydrophobicContact CB-CG 3.86Å; F235-R384 VanDerWaalsContact O-CZ 3.32Å; F235-R384 PolarHBondContact O-NE 2.88Å; F235-R384 PolarHBondContact O-NH2 3.5Å; W236-R384 HydrophobicContact CD2-CG 4.5Å; W236-R384 HydrophobicContact CZ2-CG 4.34Å; D380-R384 WeakPolarHBondContact O-CG 3.31Å; D380-R384 PolarHBondContact O-N 3.13Å; I382-R384 VanDerWaalsContact C-N 3.27Å; I382-R384 PolarHBondContact O-N 3.42Å; R384-P388 WeakPolarHBondContact O-CD 3.21Å; R384-P388 WeakPolarHBondContact O-CG 3.18Å
385I93.9Very high90.9Very high114 Ų11466.4 Ų66.459%0.58536%0.36SS*.Hα-helixtrans-102.7-46.4-179.8-60.1170000109.7I382 S383 V389I382-I385 PolarHBondContact O-N 2.83Å; S383-I385 PolarHBondContact O-N 2.95Å; I385-V389 HydrophobicContact CG2-CG2 4.29Å; I385-V389 WeakPolarHBondContact O-CB 3.47Å; I385-V389 WeakPolarHBondContact O-CG2 3.32Å; I385-V389 PolarHBondContact O-N 3.25Å
386M94.8Very high92Very high94 Ų9467.6 Ų67.646%0.46336%0.357SS..Hα-helixtrans-63.3-47.6-174.4-76-64.2-67.200112.8I382 V389 L390I382-M386 HydrophobicContact CG2-CB 4.49Å; I382-M386 HydrophobicContact CG2-CG 3.65Å; I382-M386 WeakPolarHBondContact O-CB 3.41Å; I382-M386 PolarHBondContact O-N 3.46Å; M386-V389 PolarHBondContact O-N 3.1Å; M386-L390 HydrophobicContact CE-CD1 4.07Å; M386-L390 HydrophobicContact CE-CG 4.45Å; M386-L390 WeakPolarHBondContact O-CB 3.38Å; M386-L390 VanDerWaalsContact O-CG 3.24Å; M386-L390 WeakPolarHBondContact O-CG 3.49Å; M386-L390 PolarHBondContact O-N 3.09Å
387F94.9Very high93.2Very high34 Ų3467.5 Ų67.515%0.14936%0.357CS..Hα-helixtrans-65.1-48.7-175.2-83.2-110.9000112.9Q232 F235 F286 S383 V389 L390 F391Q232-F387 HydrophobicContact CG-CB 4.17Å; F235-F387 HydrophobicContact CE2-CB 3.86Å; F235-F387 HydrophobicContact CE2-CD1 4.08Å; F235-F387 HydrophobicContact CE2-CD2 4.01Å; F235-F387 AromaticContact CE2-CG 3.74Å; F235-F387 HydrophobicContact CE2-CG 3.74Å; F235-F387 HydrophobicContact CZ-CD1 4Å; F235-F387 HydrophobicContact CZ-CD2 4.14Å; F235-F387 HydrophobicContact CZ-CE1 4.12Å; F235-F387 HydrophobicContact CZ-CE2 4.25Å; F235-F387 HydrophobicContact CZ-CG 4.01Å; F235-F387 HydrophobicContact CZ-CZ 4.24Å; F286-F387 HydrophobicContact CD1-CD1 4.04Å; S383-F387 WeakPolarHBondContact O-CB 3.47Å; S383-F387 PolarHBondContact O-N 2.88Å; S383-F387 VanDerWaalsContact O-N 3.12Å; F387-V389 PolarHBondContact O-N 3.22Å; F387-L390 PolarHBondContact O-N 3.36Å; F387-F391 WeakPolarHBondContact O-CB 3.38Å; F387-F391 PolarHBondContact O-N 3.12Å
388P95.4Very high93.9Very high55 Ų5566.9 Ų66.936%0.35735%0.351SS..Hα-helixtrans-62-39.6175.9-24.433.7000113.4R384 F391 G392R384-P388 WeakPolarHBondContact O-CD 3.21Å; R384-P388 WeakPolarHBondContact O-CG 3.18Å; P388-F391 PolarHBondContact O-N 2.88Å; P388-G392 PolarHBondContact O-N 2.63Å
389V96.3Very high94.4Very high91 Ų9163.6 Ų63.655%0.55233%0.33SS*.Hα-helixtrans-66.5-45.5179.7170.70000111.2I385 M386 F387 G392 S393I385-V389 HydrophobicContact CG2-CG2 4.29Å; I385-V389 WeakPolarHBondContact O-CB 3.47Å; I385-V389 WeakPolarHBondContact O-CG2 3.32Å; I385-V389 PolarHBondContact O-N 3.25Å; M386-V389 PolarHBondContact O-N 3.1Å; F387-V389 PolarHBondContact O-N 3.22Å; V389-G392 PolarHBondContact O-N 2.74Å; V389-S393 PolarHBondContact O-N 3.37Å; V389-S393 PolarHBondContact O-OG 2.91Å
390L96.7Very high94.7Very high82 Ų8263 Ų6343%0.42933%0.334SS..Hα-helixtrans-65.2-39.4177.3-72.2174.3000112.1F286 M386 F387 S393 F394F286-L390 HydrophobicContact CE1-CB 3.96Å; F286-L390 HydrophobicContact CZ-CB 3.98Å; M386-L390 HydrophobicContact CE-CD1 4.07Å; M386-L390 HydrophobicContact CE-CG 4.45Å; M386-L390 WeakPolarHBondContact O-CB 3.38Å; M386-L390 VanDerWaalsContact O-CG 3.24Å; M386-L390 WeakPolarHBondContact O-CG 3.49Å; M386-L390 PolarHBondContact O-N 3.09Å; F387-L390 PolarHBondContact O-N 3.36Å; L390-S393 PolarHBondContact O-OG 3.41Å; L390-F394 WeakPolarHBondContact O-CB 3.44Å; L390-F394 PolarHBondContact O-N 3.09Å
391F97Very high94.9Very high10 Ų1066.5 Ų66.54%0.04436%0.356CS..Hα-helixtrans-70-38.4176.6-173.6-117.5000111.7I225 V228 F286 F387 P388 F394 N395I225-F391 HydrophobicContact CG1-CE1 4.45Å; I225-F391 HydrophobicContact CG1-CZ 4.14Å; I225-F391 HydrophobicContact CG2-CE1 4.22Å; V228-F391 HydrophobicContact CB-CE1 4.07Å; V228-F391 HydrophobicContact CB-CE2 4.22Å; V228-F391 HydrophobicContact CB-CZ 3.88Å; V228-F391 HydrophobicContact CG1-CD1 3.87Å; V228-F391 HydrophobicContact CG1-CD2 3.86Å; V228-F391 HydrophobicContact CG1-CE1 3.85Å; V228-F391 HydrophobicContact CG1-CE2 3.86Å; V228-F391 HydrophobicContact CG1-CG 3.87Å; V228-F391 HydrophobicContact CG1-CZ 3.84Å; V228-F391 HydrophobicContact CG2-CE2 4.11Å; V228-F391 HydrophobicContact CG2-CZ 4.06Å; F286-F391 AromaticContact CD2-CD2 3.74Å; F286-F391 HydrophobicContact CD2-CD2 3.74Å; F286-F391 HydrophobicContact CD2-CE2 4.41Å; F286-F391 HydrophobicContact CE1-CB 4.24Å; F286-F391 HydrophobicContact CE2-CB 4.38Å; F286-F391 AromaticContact CE2-CD2 3.8Å; F286-F391 HydrophobicContact CE2-CD2 3.8Å; F286-F391 HydrophobicContact CG-CD2 4.31Å; F286-F391 HydrophobicContact CZ-CB 4.14Å; F286-F391 HydrophobicContact CZ-CD2 4.4Å; F387-F391 WeakPolarHBondContact O-CB 3.38Å; F387-F391 PolarHBondContact O-N 3.12Å; P388-F391 PolarHBondContact O-N 2.88Å; F391-F394 HydrophobicContact CD2-CD1 4.19Å; F391-F394 HydrophobicContact CE2-CD1 4.17Å; F391-F394 PolarHBondContact O-N 3.01Å; F391-N395 VanDerWaalsContact CE1-ND2 3.29Å; F391-N395 WeakPolarHBondContact CE1-ND2 3.42Å; F391-N395 WeakPolarHBondContact CE2-ND2 3.42Å; F391-N395 WeakPolarHBondContact CZ-ND2 3.12Å; F391-N395 PolarHBondContact O-N 2.99Å; F391-N395 PolarHBondContact O-ND2 3.46Å
392G96.8Very high95Very high39 Ų3959.8 Ų59.840%0.40233%0.331SS..Hα-helixtrans-63.3-44.6174.700000112.6P388 V389 N395 L396P388-G392 PolarHBondContact O-N 2.63Å; V389-G392 PolarHBondContact O-N 2.74Å; G392-N395 PolarHBondContact O-N 3.01Å; G392-L396 PolarHBondContact O-N 3.46Å
393S96.4Very high94.8Very high61 Ų6159 Ų5943%0.42733%0.327SS..Hα-helixtrans-65.4-40.7176.166.40000111.8V389 L390 N395 L396 V397V389-S393 PolarHBondContact O-N 3.37Å; V389-S393 PolarHBondContact O-OG 2.91Å; L390-S393 PolarHBondContact O-OG 3.41Å; S393-N395 PolarHBondContact O-N 3.37Å; S393-L396 PolarHBondContact O-N 2.94Å; S393-V397 WeakPolarHBondContact O-CG2 3.46Å; S393-V397 PolarHBondContact O-N 3.11Å
394F97Very high94.4Very high43 Ų4362.6 Ų62.619%0.18935%0.345CS..Hα-helixtrans-57-49172.7167.6-105.5000112F279 V282 L390 F391 L396 V397 Y398F279-F394 AromaticContact CD2-CE1 3.73Å; F279-F394 HydrophobicContact CD2-CE1 3.73Å; F279-F394 AromaticContact CD2-CZ 3.97Å; F279-F394 HydrophobicContact CD2-CZ 3.97Å; F279-F394 AromaticContact CE2-CE1 3.83Å; F279-F394 HydrophobicContact CE2-CE1 3.83Å; V282-F394 HydrophobicContact CB-CD2 4.48Å; V282-F394 HydrophobicContact CB-CE1 4.01Å; V282-F394 HydrophobicContact CB-CE2 3.87Å; V282-F394 HydrophobicContact CB-CZ 3.6Å; V282-F394 HydrophobicContact CG1-CD1 3.81Å; V282-F394 HydrophobicContact CG1-CD2 3.79Å; V282-F394 HydrophobicContact CG1-CE1 3.69Å; V282-F394 HydrophobicContact CG1-CE2 3.68Å; V282-F394 HydrophobicContact CG1-CG 3.86Å; V282-F394 HydrophobicContact CG1-CZ 3.62Å; V282-F394 HydrophobicContact CG2-CD2 4.48Å; V282-F394 HydrophobicContact CG2-CE2 3.77Å; V282-F394 HydrophobicContact CG2-CZ 3.94Å; L390-F394 WeakPolarHBondContact O-CB 3.44Å; L390-F394 PolarHBondContact O-N 3.09Å; F391-F394 HydrophobicContact CD2-CD1 4.19Å; F391-F394 HydrophobicContact CE2-CD1 4.17Å; F391-F394 PolarHBondContact O-N 3.01Å; F394-L396 VanDerWaalsContact C-N 3.33Å; F394-L396 PolarHBondContact O-N 3.42Å; F394-V397 PolarHBondContact O-N 3.42Å; F394-Y398 HydrophobicContact CE2-CD2 4.49Å; F394-Y398 HydrophobicContact CZ-CD2 4.15Å; F394-Y398 HydrophobicContact CZ-CG 4.44Å; F394-Y398 VanDerWaalsContact O-CB 3.24Å; F394-Y398 WeakPolarHBondContact O-CB 3.41Å; F394-Y398 PolarHBondContact O-N 3.03Å
395N96.9Very high93.4Very high23 Ų2365.1 Ų65.112%0.12336%0.355CS..Hα-helixtrans-60.2-43.7178-83.2-85.1000111.5F391 G392 S393 V397 Y398 W399F391-N395 VanDerWaalsContact CE1-ND2 3.29Å; F391-N395 WeakPolarHBondContact CE1-ND2 3.42Å; F391-N395 WeakPolarHBondContact CE2-ND2 3.42Å; F391-N395 WeakPolarHBondContact CZ-ND2 3.12Å; F391-N395 PolarHBondContact O-N 2.99Å; F391-N395 PolarHBondContact O-ND2 3.46Å; G392-N395 PolarHBondContact O-N 3.01Å; S393-N395 PolarHBondContact O-N 3.37Å; N395-V397 PolarHBondContact O-N 2.95Å; N395-Y398 PolarHBondContact O-N 3.48Å; N395-W399 PolarHBondContact O-N 3.3Å
396L95.8Very high91.7Very high124 Ų12462.1 Ų62.165%0.64934%0.338SS*.Hα-helixtrans-59.4-48.9178.2-168.4159.2000111G392 S393 F394 A400G392-L396 PolarHBondContact O-N 3.46Å; S393-L396 PolarHBondContact O-N 2.94Å; F394-L396 VanDerWaalsContact C-N 3.33Å; F394-L396 PolarHBondContact O-N 3.42Å; L396-A400 WeakPolarHBondContact O-CB 3.35Å; L396-A400 PolarHBondContact O-N 3.3Å
397V96.3Very high89.5Confident86 Ų8664.3 Ų64.352%0.52135%0.345SS..Hα-helixtrans-62.6-44.8178.1173.10000111.1S393 F394 N395 A400 T401S393-V397 WeakPolarHBondContact O-CG2 3.46Å; S393-V397 PolarHBondContact O-N 3.11Å; F394-V397 PolarHBondContact O-N 3.42Å; N395-V397 PolarHBondContact O-N 2.95Å; V397-A400 PolarHBondContact O-N 3.31Å; V397-T401 VanDerWaalsContact O-CB 3.31Å; V397-T401 WeakPolarHBondContact O-CB 3.27Å; V397-T401 PolarHBondContact O-N 2.68Å; V397-T401 PolarHBondContact O-OG1 3.27Å
398Y95.8Very high87.1Confident8 Ų866.7 Ų66.73%0.03136%0.363CS..Hα-helixtrans-59-57.1-179.1-179.6-94000111.6M138 Y221 A275 F279 F394 N395 A400 T401 Y402M138-Y398 HydrophobicContact CE-CE1 3.92Å; Y221-Y398 HydrophobicContact CD1-CE1 4.47Å; Y221-Y398 AromaticContact CE1-CE1 3.66Å; Y221-Y398 HydrophobicContact CE1-CE1 3.66Å; Y221-Y398 AromaticContact CE1-CZ 3.89Å; Y221-Y398 WeakPolarHBondContact CE1-OH 3.28Å; Y221-Y398 PolarHBondContact OH-OH 3.1Å; A275-Y398 WeakPolarHBondContact O-CE2 3.19Å; A275-Y398 PolarHBondContact O-OH 3.13Å; F279-Y398 HydrophobicContact CB-CD2 4.45Å; F279-Y398 HydrophobicContact CB-CE1 4.41Å; F279-Y398 HydrophobicContact CB-CE2 3.75Å; F279-Y398 AromaticContact CD2-CD1 3.77Å; F279-Y398 HydrophobicContact CD2-CD1 3.77Å; F279-Y398 HydrophobicContact CD2-CD2 4.06Å; F279-Y398 AromaticContact CD2-CE1 3.74Å; F279-Y398 HydrophobicContact CD2-CE1 3.74Å; F279-Y398 HydrophobicContact CD2-CE2 4.03Å; F279-Y398 AromaticContact CD2-CG 3.94Å; F279-Y398 HydrophobicContact CD2-CG 3.94Å; F279-Y398 AromaticContact CD2-CZ 3.89Å; F279-Y398 HydrophobicContact CE2-CD1 4.22Å; F279-Y398 HydrophobicContact CE2-CE1 4.43Å; F279-Y398 HydrophobicContact CG-CE1 4.33Å; F279-Y398 HydrophobicContact CG-CE2 4.36Å; F394-Y398 HydrophobicContact CE2-CD2 4.49Å; F394-Y398 HydrophobicContact CZ-CD2 4.15Å; F394-Y398 HydrophobicContact CZ-CG 4.44Å; F394-Y398 VanDerWaalsContact O-CB 3.24Å; F394-Y398 WeakPolarHBondContact O-CB 3.41Å; F394-Y398 PolarHBondContact O-N 3.03Å; N395-Y398 PolarHBondContact O-N 3.48Å; Y398-A400 PolarHBondContact O-N 3.11Å; Y398-T401 PolarHBondContact O-N 3.15Å; Y398-Y402 HydrophobicContact CD1-CD2 4.45Å; Y398-Y402 AromaticContact CD2-CD2 3.65Å; Y398-Y402 HydrophobicContact CD2-CD2 3.65Å; Y398-Y402 AromaticContact CD2-CE2 3.56Å; Y398-Y402 HydrophobicContact CD2-CE2 3.56Å; Y398-Y402 HydrophobicContact CE1-CD2 4.29Å; Y398-Y402 AromaticContact CE2-CD2 3.46Å; Y398-Y402 HydrophobicContact CE2-CD2 3.46Å; Y398-Y402 VanDerWaalsContact CE2-CD2 3.46Å; Y398-Y402 AromaticContact CE2-CE2 3.33Å; Y398-Y402 HydrophobicContact CE2-CE2 3.33Å; Y398-Y402 HydrophobicContact CG-CD2 4.14Å; Y398-Y402 HydrophobicContact CG-CE2 4.46Å; Y398-Y402 AromaticContact CZ-CD2 3.8Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.28Å; Y398-Y402 PolarHBondContact O-N 3.3Å; Y398-Y402 VanDerWaalsContact O-N 3.08Å
399W94.8Very high84.8Confident61 Ų6169 Ų6923%0.23137%0.371CS..Hα-helixtrans-66.3-38.2-178.3-67.9113.6000111.7M138 V217 Y221 N395 T401 L403M138-W399 HydrophobicContact CE-CE3 4.46Å; M138-W399 HydrophobicContact CE-CZ3 3.91Å; M138-W399 HydrophobicContact SD-CE3 4.17Å; M138-W399 HydrophobicContact SD-CZ3 3.94Å; V217-W399 HydrophobicContact CG2-CH2 4.34Å; Y221-W399 AromaticContact CD1-CH2 3.77Å; Y221-W399 HydrophobicContact CD1-CH2 3.77Å; Y221-W399 AromaticContact CD1-CZ2 3.65Å; Y221-W399 HydrophobicContact CD1-CZ2 3.65Å; Y221-W399 HydrophobicContact CD2-CH2 4.02Å; Y221-W399 HydrophobicContact CE1-CH2 4.01Å; Y221-W399 HydrophobicContact CE1-CZ2 4.19Å; Y221-W399 HydrophobicContact CE2-CH2 4.25Å; Y221-W399 AromaticContact CG-CH2 3.79Å; Y221-W399 HydrophobicContact CG-CH2 3.79Å; Y221-W399 AromaticContact CG-CZ2 3.9Å; Y221-W399 HydrophobicContact CG-CZ2 3.9Å; N395-W399 PolarHBondContact O-N 3.3Å; W399-T401 VanDerWaalsContact C-N 3.32Å; W399-T401 PolarHBondContact O-N 3.33Å; W399-L403 HydrophobicContact CB-CD1 4.23Å; W399-L403 HydrophobicContact CE3-CD1 4.02Å; W399-L403 HydrophobicContact CE3-CG 4.24Å; W399-L403 WeakPolarHBondContact O-CB 3.06Å; W399-L403 VanDerWaalsContact O-CG 3.22Å; W399-L403 WeakPolarHBondContact O-CG 3.36Å; W399-L403 PolarHBondContact O-N 3.44Å; W399-L403 VanDerWaalsContact O-N 3.08Å
400A93.7Very high82.4Confident43 Ų4371 Ų7136%0.35537%0.372SS..Hα-helixtrans-65.5-34.7176.600000112.6L396 V397 Y398 N404L396-A400 WeakPolarHBondContact O-CB 3.35Å; L396-A400 PolarHBondContact O-N 3.3Å; V397-A400 PolarHBondContact O-N 3.31Å; Y398-A400 PolarHBondContact O-N 3.11Å; A400-N404 WeakPolarHBondContact O-CB 3.33Å; A400-N404 PolarHBondContact O-N 3.25Å; A400-N404 PolarHBondContact O-ND2 3.35Å
401T92.8Very high79.7Confident76 Ų7673.8 Ų73.847%0.46639%0.387SS..Hα-helixtrans-74.4-55.5-179.2-55.70000110.8V397 Y398 W399 N404 R405V397-T401 VanDerWaalsContact O-CB 3.31Å; V397-T401 WeakPolarHBondContact O-CB 3.27Å; V397-T401 PolarHBondContact O-N 2.68Å; V397-T401 PolarHBondContact O-OG1 3.27Å; Y398-T401 PolarHBondContact O-N 3.15Å; W399-T401 VanDerWaalsContact C-N 3.32Å; W399-T401 PolarHBondContact O-N 3.33Å; T401-N404 PolarHBondContact O-N 3.39Å; T401-R405 PolarHBondContact O-N 2.68Å; T401-R405 VanDerWaalsContact O-N 3.12Å
402Y90.5Very high76.9Confident44 Ų4479.3 Ų79.317%0.17342%0.417CS..Hα-helixtrans-75.7-27.9-172.3-69.7-69.1000113.5D135 A275 Y398D135-Y402 WeakPolarHBondContact OD1-CD1 3.37Å; D135-Y402 WeakPolarHBondContact OD1-CE1 3.49Å; A275-Y402 HydrophobicContact CB-CD1 3.68Å; A275-Y402 HydrophobicContact CB-CD2 4.24Å; A275-Y402 HydrophobicContact CB-CE1 3.35Å; A275-Y402 HydrophobicContact CB-CE2 3.96Å; A275-Y402 HydrophobicContact CB-CG 4.12Å; A275-Y402 VanDerWaalsContact CB-CZ 3.49Å; Y398-Y402 HydrophobicContact CD1-CD2 4.45Å; Y398-Y402 AromaticContact CD2-CD2 3.65Å; Y398-Y402 HydrophobicContact CD2-CD2 3.65Å; Y398-Y402 AromaticContact CD2-CE2 3.56Å; Y398-Y402 HydrophobicContact CD2-CE2 3.56Å; Y398-Y402 HydrophobicContact CE1-CD2 4.29Å; Y398-Y402 AromaticContact CE2-CD2 3.46Å; Y398-Y402 HydrophobicContact CE2-CD2 3.46Å; Y398-Y402 VanDerWaalsContact CE2-CD2 3.46Å; Y398-Y402 AromaticContact CE2-CE2 3.33Å; Y398-Y402 HydrophobicContact CE2-CE2 3.33Å; Y398-Y402 HydrophobicContact CG-CD2 4.14Å; Y398-Y402 HydrophobicContact CG-CE2 4.46Å; Y398-Y402 AromaticContact CZ-CD2 3.8Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.28Å; Y398-Y402 PolarHBondContact O-N 3.3Å; Y398-Y402 VanDerWaalsContact O-N 3.08Å
403L88.7Confident73.9Confident80 Ų8082.5 Ų82.542%0.41943%0.425SS..Hα-helixtrans-80-28174.5-62.1173.8000113.2M138 W399M138-L403 HydrophobicContact CG-CD2 4.16Å; M138-L403 HydrophobicContact SD-CD2 3.79Å; M138-L403 HydrophobicContact SD-CG 4.26Å; W399-L403 HydrophobicContact CB-CD1 4.23Å; W399-L403 HydrophobicContact CE3-CD1 4.02Å; W399-L403 HydrophobicContact CE3-CG 4.24Å; W399-L403 WeakPolarHBondContact O-CB 3.06Å; W399-L403 VanDerWaalsContact O-CG 3.22Å; W399-L403 WeakPolarHBondContact O-CG 3.36Å; W399-L403 PolarHBondContact O-N 3.44Å; W399-L403 VanDerWaalsContact O-N 3.08Å
404N84.7Confident71Confident85 Ų8585.5 Ų85.546%0.45544%0.442SS..Hα-helixtrans-87.5-22.4179.6-73.5-44.1000113.8A400 T401 E406 K407A400-N404 WeakPolarHBondContact O-CB 3.33Å; A400-N404 PolarHBondContact O-N 3.25Å; A400-N404 PolarHBondContact O-ND2 3.35Å; T401-N404 PolarHBondContact O-N 3.39Å; N404-E406 PolarHBondContact O-N 3.45Å; N404-E406 VanDerWaalsContact O-N 3.08Å; N404-K407 PolarHBondContact O-N 2.78Å
405R71.9Confident68.1Low115 Ų11587.8 Ų87.843%0.43447%0.469SS..Hα-helixtrans-55.2-27.2174.4-157.2173.1-175.1-170.8-1.3111.8D135 T401 K407 V408 I409D135-R405 VanDerWaalsContact CG-NH1 3.33Å; D135-R405 IonicContact OD1-CZ 3.6Å; D135-R405 IonicContact OD1-NH1 3.59Å; D135-R405 PolarHBondContact OD1-NH1 3.02Å; D135-R405 WeakPolarHBondContact OD2-CD 3.49Å; D135-R405 IonicContact OD2-CZ 3.7Å; D135-R405 IonicContact OD2-NE 3.5Å; D135-R405 IonicContact OD2-NH1 2.88Å; D135-R405 PolarHBondContact OD2-NH1 2.96Å; D135-R405 VanDerWaalsContact OD2-NH1 3.15Å; T401-R405 PolarHBondContact O-N 2.68Å; T401-R405 VanDerWaalsContact O-N 3.12Å; R405-K407 PolarHBondContact O-N 2.95Å; R405-V408 PolarHBondContact O-N 3.04Å; R405-I409 PolarHBondContact O-N 3.11Å
406E57.8Low65.1Low51 Ų51100 Ų10024%0.23852%0.521CS..Hα-helixtrans-59.7-37.4174.5-160.8-163.2143.500114.4K210 N404 K410K210-E406 WeakPolarHBondContact CE-OE1 3.27Å; K210-E406 WeakPolarHBondContact CE-OE2 3.24Å; K210-E406 IonicContact NZ-OE1 3.51Å; K210-E406 PolarHBondContact NZ-OE1 2.86Å; K210-E406 IonicContact NZ-OE2 3.9Å; K210-E406 PolarHBondContact NZ-OE2 3.48Å; N404-E406 PolarHBondContact O-N 3.45Å; N404-E406 VanDerWaalsContact O-N 3.08Å; E406-K410 IonicContact OE1-NZ 3.15Å; E406-K410 PolarHBondContact OE1-NZ 2.81Å
407K49.2Very low63.6Low140 Ų14098.8 Ų98.861%0.60952%0.515SS*.Hα-helixtrans-71.6-37.6-178.3-70.8-179.2-179.3173.50111.6N404 R405 I409 K410 D411N404-K407 PolarHBondContact O-N 2.78Å; R405-K407 PolarHBondContact O-N 2.95Å; K407-I409 PolarHBondContact O-N 2.97Å; K407-K410 PolarHBondContact O-N 3.5Å; K407-D411 PolarHBondContact O-N 3.03Å
408V45.7Very low61.9Low84 Ų8499.5 Ų99.551%0.50952%0.515SS..Hα-helixtrans-68.1-35.7-176.1178.50000111.6R405 D411 L412R405-V408 PolarHBondContact O-N 3.04Å; V408-D411 PolarHBondContact O-N 3.47Å; V408-L412 HydrophobicContact CG1-CD1 3.75Å; V408-L412 WeakPolarHBondContact O-CD1 3.45Å; V408-L412 PolarHBondContact O-N 2.8Å
409I46.5Very low60Low103 Ų103104.6 Ų104.653%0.52854%0.541SS..Hα-helixtrans-70.6-33.5178.3-62.5172.6000111.6R405 K407 D411 L412R405-I409 PolarHBondContact O-N 3.11Å; K407-I409 PolarHBondContact O-N 2.97Å; I409-D411 VanDerWaalsContact C-N 3.25Å; I409-D411 PolarHBondContact O-N 2.85Å; I409-L412 PolarHBondContact O-N 2.82Å
410K45Very low58Low132 Ų132107.1 Ų107.157%0.57456%0.56SS**Hα-helixtrans-66.1-27.3173.7-75.5174.9174.4161.70113.1E406 K407E406-K410 IonicContact OE1-NZ 3.15Å; E406-K410 PolarHBondContact OE1-NZ 2.81Å; K407-K410 PolarHBondContact O-N 3.5Å
411D39.8Very low55.7Low142 Ų142111.1 Ų111.176%0.75957%0.572SS**THydrogen-bonded Turntrans-88-8.3176.8-68.5-31.8000113.3K407 V408 I409K407-D411 PolarHBondContact O-N 3.03Å; V408-D411 PolarHBondContact O-N 3.47Å; I409-D411 VanDerWaalsContact C-N 3.25Å; I409-D411 PolarHBondContact O-N 2.85Å
412L38.2Very low53.3Low125 Ų125113.5 Ų113.565%0.65458%0.579SS**SBendtrans-100.62.5-177.9-104.1140.6000114.1V408 I409 P414V408-L412 HydrophobicContact CG1-CD1 3.75Å; V408-L412 WeakPolarHBondContact O-CD1 3.45Å; V408-L412 PolarHBondContact O-N 2.8Å; I409-L412 PolarHBondContact O-N 2.82Å; L412-P414 WeakPolarHBondContact O-CD 3.23Å
413D35.4Very low50.6Low107 Ų107118.4 Ų118.457%0.57261%0.609SS**  trans-82.899.8169.3-129.8-11.4000108.5A415D413-A415 PolarHBondContact O-N 2.89Å
414P35.3Very low47.7Very low123 Ų123121.4 Ų121.480%0.79962%0.623SS**  trans-87.772.9-179.429.4-11.6000107.2L412L412-P414 WeakPolarHBondContact O-CD 3.23Å
415A35.3Very low44.6Very low91 Ų91124.4 Ų124.475%0.75264%0.637SS**  trans-122.660.3166.200000108.9D413D413-A415 PolarHBondContact O-N 2.89Å
416K34.8Very low42.1Very low280 Ų280125.3 Ų125.3100%1.21766%0.656SS**  trans-117.80151.6-104.7-171.7179.7179.20108.8

Retrieved 416 of 416 residues in 366.1 ms (Link to these results)

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