A0A060WMG6_ONCMY Loading...

ELMO domain-containing protein

Involved in cytoskeletal rearrangements required for phagocytosis of apoptotic cells and cell motility. Acts in association with DOCK1 and CRK. Was initially proposed to be required in complex with DOCK1 to activate Rac Rho small GTPases. May enhance the guanine nucleotide exchange factor (GEF) activity of DOCK1.

AlphaFold DB , UniProt , Accession A0A060WMG6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene elmo2, Length 723 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low69.9Low220 Ų22083.3 Ų83.3100%1.08446%0.462SS*.  0131.30-89.1168.3136.600107
2P37.6Very low72.1Confident113 Ų11376.3 Ų76.373%0.73442%0.424SS*.PPolyproline II helixtrans-56.9141.4165.5-9.824.4000107.7H4P2-H4 PolarHBondContact O-N 2.64Å
3P44.6Very low74Confident100 Ų10075.7 Ų75.765%0.64942%0.416SS*.PPolyproline II helixtrans-54.1138.4170.823-30000108.6S5P3-S5 PolarHBondContact O-N 3.11Å
4H52.3Low75.4Confident131 Ų13175.3 Ų75.361%0.60641%0.405SS*.PPolyproline II helixtrans-54.4131.4171.3-77.6-82.8000108.1P2 D6 I7P2-H4 PolarHBondContact O-N 2.64Å; H4-D6 PolarHBondContact O-N 3Å; H4-I7 HydrophobicContact CB-CD1 4.4Å; H4-I7 HydrophobicContact CB-CG1 4.43Å; H4-I7 PolarHBondContact O-N 2.92Å; H4-I7 VanDerWaalsContact O-N 3.09Å
5S61Low76.5Confident108 Ų10876.4 Ų76.476%0.75542%0.418SS*.THydrogen-bonded Turntrans-51.8-21.7-17951.10000113.7P3P3-S5 PolarHBondContact O-N 3.11Å
6D80.1Confident77.2Confident49 Ų4977.5 Ų77.526%0.26245%0.452SS..THydrogen-bonded Turntrans-94.63-172.1-47.4-29.7000113H4 Q26 K27H4-D6 PolarHBondContact O-N 3Å; D6-Q26 WeakPolarHBondContact O-CB 2.95Å; D6-Q26 WeakPolarHBondContact O-CG 3.33Å; D6-Q26 PolarHBondContact O-N 3.38Å; D6-K27 WeakPolarHBondContact OD2-CE 3.1Å; D6-K27 IonicContact OD2-NZ 2.64Å; D6-K27 PolarHBondContact OD2-NZ 3.18Å
7I88.6Confident78.1Confident55 Ų5575.2 Ų75.228%0.28245%0.445SS..EExtended strand (participates in β ladder)trans-114.6122.6179.4-58.9179.4000110.4H4 E23 I24H4-I7 HydrophobicContact CB-CD1 4.4Å; H4-I7 HydrophobicContact CB-CG1 4.43Å; H4-I7 PolarHBondContact O-N 2.92Å; H4-I7 VanDerWaalsContact O-N 3.09Å; I7-E23 HydrophobicContact CG2-CB 3.77Å; I7-I24 CarbonylContact C-O 3.45Å; I7-I24 WeakPolarHBondContact CA-O 3.49Å
8V90Very high78.8Confident11 Ų1179.4 Ų79.47%0.06747%0.465CS..EExtended strand (participates in β ladder)trans-116.6121.7177.1-175.50000110.4V10 I24 Q26 M69 K70V8-V10 HydrophobicContact CG1-CG1 3.94Å; V8-I24 PolarHBondContact N-O 3.29Å; V8-I24 WeakPolarHBondContact O-CB 3.44Å; V8-I24 PolarHBondContact O-N 2.74Å; V8-Q26 HydrophobicContact CG2-CG 3.97Å; V8-Q26 VanDerWaalsContact CG2-NE2 3.3Å; V8-M69 HydrophobicContact CG1-CB 4.41Å; V8-K70 WeakPolarHBondContact CG1-O 3.48Å
9K92Very high79.6Confident104 Ų10478 Ų7845%0.45246%0.463SS..EExtended strand (participates in β ladder)trans-86.6120.9178-50.7-165.3-172.9-1490110I22 E23 N71 G72K9-I22 WeakPolarHBondContact CA-O 3.36Å; K9-E23 HydrophobicContact CD-CG 4.35Å; K9-E23 WeakPolarHBondContact CE-OE1 3.36Å; K9-E23 HydrophobicContact CG-CG 4.1Å; K9-E23 IonicContact NZ-OE1 2.79Å; K9-E23 PolarHBondContact NZ-OE1 2.78Å; K9-N71 WeakPolarHBondContact CB-OD1 3.48Å; K9-N71 WeakPolarHBondContact CG-OD1 3.5Å; K9-N71 PolarHBondContact N-OD1 3.17Å; K9-N71 CarbonylContact O-C 3.54Å; K9-N71 WeakPolarHBondContact O-CA 3.42Å; K9-G72 PolarHBondContact O-N 2.82Å
10V94.5Very high80.4Confident5 Ų575.9 Ų75.93%0.0345%0.448CS..EExtended strand (participates in β ladder)trans-131.5158.1-179.6-60.50000111.4V8 I12 I22 I24 M69 T73 L75V8-V10 HydrophobicContact CG1-CG1 3.94Å; V10-I12 HydrophobicContact CG2-CD1 4.1Å; V10-I12 HydrophobicContact CG2-CG1 3.89Å; V10-I22 PolarHBondContact N-O 3Å; V10-I22 PolarHBondContact O-N 3.27Å; V10-I24 HydrophobicContact CG1-CD1 4.42Å; V10-I24 HydrophobicContact CG2-CD1 3.39Å; V10-I24 HydrophobicContact CG2-CG1 3.89Å; V10-M69 HydrophobicContact CG1-CE 3.83Å; V10-T73 WeakPolarHBondContact CA-O 3.46Å; V10-T73 WeakPolarHBondContact CB-O 3.33Å; V10-L75 HydrophobicContact CB-CD1 4.27Å; V10-L75 HydrophobicContact CB-CG 4.44Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 HydrophobicContact CG2-CD1 4.09Å
11A95Very high81.1Confident20 Ų2079.4 Ų79.417%0.16546%0.464CS..EExtended strand (participates in β ladder)trans-103.2128.2165.400000108.6Q20 L21 T73 I74 L75A11-Q20 WeakPolarHBondContact CA-O 3.45Å; A11-L21 HydrophobicContact CB-CD2 3.75Å; A11-T73 PolarHBondContact N-O 2.99Å; A11-I74 WeakPolarHBondContact O-CA 3.25Å; A11-L75 PolarHBondContact O-N 3.28Å
12I96.4Very high83.9Confident0 Ų069.7 Ų69.70%042%0.417CS..EExtended strand (participates in β ladder)trans-112.4123.6178.2-49.3-174.4000108.7V10 A19 Q20 I22 V37 W41 L51 L75 L77V10-I12 HydrophobicContact CG2-CD1 4.1Å; V10-I12 HydrophobicContact CG2-CG1 3.89Å; I12-A19 CarbonylContact O-C 3.54Å; I12-A19 WeakPolarHBondContact O-CA 3.3Å; I12-Q20 PolarHBondContact N-O 3.42Å; I12-Q20 PolarHBondContact O-N 3.45Å; I12-I22 HydrophobicContact CD1-CD1 4.01Å; I12-V37 HydrophobicContact CD1-CG2 3.59Å; I12-V37 HydrophobicContact CG2-CG1 4.1Å; I12-W41 HydrophobicContact CB-CH2 4.31Å; I12-W41 HydrophobicContact CG2-CH2 3.97Å; I12-W41 HydrophobicContact CG2-CZ3 4.27Å; I12-W41 WeakPolarHBondContact O-CH2 3.16Å; I12-W41 VanDerWaalsContact O-CZ2 3.28Å; I12-W41 WeakPolarHBondContact O-CZ2 3.47Å; I12-L51 HydrophobicContact CD1-CD1 4.37Å; I12-L51 HydrophobicContact CD1-CD2 4.01Å; I12-L51 HydrophobicContact CG2-CD2 3.93Å; I12-L75 CarbonylContact C-O 3.47Å; I12-L75 WeakPolarHBondContact CA-O 3.39Å; I12-L75 HydrophobicContact CG1-CB 4.21Å; I12-L75 HydrophobicContact CG1-CD1 4.42Å; I12-L75 HydrophobicContact CG2-CB 4.45Å; I12-L77 HydrophobicContact CG2-CB 4.25Å
13E96.2Very high86.5Confident68 Ų6869.8 Ų69.832%0.31841%0.407SS..EExtended strand (participates in β ladder)trans-98.6148.9-179.7-61.9-174160.900112.6A19 W41 I74 L75 R76 L77E13-A19 HydrophobicContact CG-CB 4.31Å; E13-W41 VanDerWaalsContact C-CH2 3.41Å; E13-I74 HydrophobicContact CG-CG2 3.89Å; E13-L75 PolarHBondContact N-O 3.38Å; E13-R76 IonicContact OE2-NE 2.65Å; E13-R76 IonicContact OE2-NH2 2.85Å; E13-R76 PolarHBondContact OE2-NH2 3.39Å; E13-L77 PolarHBondContact O-N 2.91Å
14W94.2Very high88.8Confident70 Ų7065 Ų6527%0.26538%0.376SS..  trans-140.5136.8169176.1-103.5000110.2G16 A17 W41 L43 F49 L77W14-G16 PolarHBondContact O-N 3.3Å; W14-A17 HydrophobicContact CB-CB 4.32Å; W14-A17 PolarHBondContact O-N 2.75Å; W14-W41 HydrophobicContact CB-CD2 3.79Å; W14-W41 HydrophobicContact CB-CE3 3.55Å; W14-W41 HydrophobicContact CB-CH2 3.42Å; W14-W41 VanDerWaalsContact CB-CH2 3.42Å; W14-W41 HydrophobicContact CB-CZ2 3.65Å; W14-W41 HydrophobicContact CB-CZ3 3.38Å; W14-W41 HydrophobicContact CG-CD2 4.27Å; W14-W41 HydrophobicContact CG-CE3 4.02Å; W14-W41 HydrophobicContact CG-CZ3 4.23Å; W14-L43 HydrophobicContact CD2-CD1 4.1Å; W14-L43 HydrophobicContact CE3-CD1 4.42Å; W14-L43 HydrophobicContact CZ2-CD1 4.21Å; W14-L43 HydrophobicContact CZ2-CD2 4.23Å; W14-F49 HydrophobicContact CH2-CD1 4.41Å; W14-F49 AromaticContact CH2-CE1 3.64Å; W14-F49 HydrophobicContact CH2-CE1 3.64Å; W14-F49 HydrophobicContact CH2-CZ 4.45Å; W14-F49 HydrophobicContact CZ3-CD1 4.18Å; W14-F49 AromaticContact CZ3-CE1 3.85Å; W14-F49 HydrophobicContact CZ3-CE1 3.85Å; W14-L77 HydrophobicContact CE3-CB 4Å; W14-L77 HydrophobicContact CE3-CD2 4.02Å; W14-L77 HydrophobicContact CE3-CG 4.23Å; W14-L77 VanDerWaalsContact CE3-O 3.27Å; W14-L77 HydrophobicContact CZ3-CD2 4.39Å; W14-L77 HydrophobicContact CZ3-CG 4.48Å; W14-L77 WeakPolarHBondContact CZ3-O 3.27Å
15P91.2Very high90.6Very high92 Ų9261.1 Ų61.160%0.59736%0.36SS*.THydrogen-bonded Turntrans-54.4124.5-178.3-27.135.5000112.8A17P15-A17 VanDerWaalsContact C-N 3.31Å; P15-A17 PolarHBondContact O-N 3.16Å
16G88.4Confident91.9Very high94 Ų9458 Ų5897%0.96933%0.333SS*.THydrogen-bonded Turntrans78.27.7178.500000115.4W14W14-G16 PolarHBondContact O-N 3.3Å
17A92.1Very high92.3Very high39 Ų3963 Ų6332%0.32235%0.353SS..SBendtrans-123.5157.417500000111.8W14 P15 W41W14-A17 HydrophobicContact CB-CB 4.32Å; W14-A17 PolarHBondContact O-N 2.75Å; P15-A17 VanDerWaalsContact C-N 3.31Å; P15-A17 PolarHBondContact O-N 3.16Å; A17-W41 HydrophobicContact CB-CG 4.41Å
18N91.3Very high92.4Very high151 Ų15164.7 Ų64.781%0.80736%0.358SS*.PPolyproline II helixtrans-69.3141.5170.1-70.1-30.1000109.9W41N18-W41 PolarHBondContact O-NE1 2.95Å
19A93.9Very high92.6Very high52 Ų5267.5 Ų67.543%0.4338%0.377SS..PPolyproline II helixtrans-60.7139.4177.500000111.4I12 E13I12-A19 CarbonylContact O-C 3.54Å; I12-A19 WeakPolarHBondContact O-CA 3.3Å; E13-A19 HydrophobicContact CG-CB 4.31Å
20Q96Very high92.6Very high35 Ų3563 Ų6316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-90.9128.6172.2-67.3-176.93300109.5A11 I12 I22 V37 G40 W41A11-Q20 WeakPolarHBondContact CA-O 3.45Å; I12-Q20 PolarHBondContact N-O 3.42Å; I12-Q20 PolarHBondContact O-N 3.45Å; Q20-I22 HydrophobicContact CB-CD1 4Å; Q20-I22 HydrophobicContact CB-CG1 4.26Å; Q20-V37 PolarHBondContact NE2-O 3.28Å; Q20-G40 VanDerWaalsContact NE2-C 3.26Å; Q20-W41 HydrophobicContact CB-CZ2 4.29Å; Q20-W41 HydrophobicContact CG-CD2 4.43Å; Q20-W41 HydrophobicContact CG-CH2 4.47Å; Q20-W41 HydrophobicContact CG-CZ2 3.76Å; Q20-W41 VanDerWaalsContact NE2-CE2 3.25Å
21L94.8Very high92.6Very high150 Ų15066 Ų6679%0.78538%0.379SS*.EExtended strand (participates in β ladder)trans-92.8112.1173.4-60.4178.3000108.5A11A11-L21 HydrophobicContact CB-CD2 3.75Å
22I92.5Very high92.5Very high17 Ų1767 Ų679%0.08738%0.384CS..EExtended strand (participates in β ladder)trans-122.9135.4-172.8-68.9167.2000109.9K9 V10 I12 Q20 I24 V37K9-I22 WeakPolarHBondContact CA-O 3.36Å; V10-I22 PolarHBondContact N-O 3Å; V10-I22 PolarHBondContact O-N 3.27Å; I12-I22 HydrophobicContact CD1-CD1 4.01Å; Q20-I22 HydrophobicContact CB-CD1 4Å; Q20-I22 HydrophobicContact CB-CG1 4.26Å; I22-I24 HydrophobicContact CG2-CG1 3.82Å; I22-I24 PolarHBondContact O-N 2.78Å; I22-V37 HydrophobicContact CD1-CB 4.41Å; I22-V37 HydrophobicContact CD1-CG2 3.4Å; I22-V37 VanDerWaalsContact CD1-CG2 3.4Å
23E92.3Very high92.4Very high114 Ų11467.2 Ų67.253%0.53339%0.385SS..EExtended strand (participates in β ladder)trans-9193.5168.2-58.2-162.6158.800108.2I7 K9 D25I7-E23 HydrophobicContact CG2-CB 3.77Å; K9-E23 HydrophobicContact CD-CG 4.35Å; K9-E23 WeakPolarHBondContact CE-OE1 3.36Å; K9-E23 HydrophobicContact CG-CG 4.1Å; K9-E23 IonicContact NZ-OE1 2.79Å; K9-E23 PolarHBondContact NZ-OE1 2.78Å; E23-D25 PolarHBondContact O-N 3.27Å
24I91.7Very high92.4Very high1 Ų164.8 Ų64.81%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-72115.1-178.6-69.6179.1000109.3I7 V8 V10 I22 Q26 I33 M69 L75I7-I24 CarbonylContact C-O 3.45Å; I7-I24 WeakPolarHBondContact CA-O 3.49Å; V8-I24 PolarHBondContact N-O 3.29Å; V8-I24 WeakPolarHBondContact O-CB 3.44Å; V8-I24 PolarHBondContact O-N 2.74Å; V10-I24 HydrophobicContact CG1-CD1 4.42Å; V10-I24 HydrophobicContact CG2-CD1 3.39Å; V10-I24 HydrophobicContact CG2-CG1 3.89Å; I22-I24 HydrophobicContact CG2-CG1 3.82Å; I22-I24 PolarHBondContact O-N 2.78Å; I24-Q26 PolarHBondContact O-N 2.93Å; I24-I33 HydrophobicContact CD1-CG2 4.09Å; I24-I33 HydrophobicContact CG1-CG2 4Å; I24-I33 HydrophobicContact CG2-CD1 3.58Å; I24-I33 HydrophobicContact CG2-CG1 4.45Å; I24-M69 HydrophobicContact CD1-CE 3.61Å; I24-L75 HydrophobicContact CD1-CD1 4.49Å
25D90.9Very high92.4Very high49 Ų4967.3 Ų67.326%0.26238%0.384SS..EExtended strand (participates in β ladder)trans-76.1112.6166.1-179.1-4000109.5E23 K27 K28 R66E23-D25 PolarHBondContact O-N 3.27Å; D25-K27 PolarHBondContact O-N 3.43Å; D25-K27 VanDerWaalsContact O-N 3.16Å; D25-K27 WeakPolarHBondContact OD1-CB 3.33Å; D25-K27 PolarHBondContact OD1-N 3.19Å; D25-K28 HydrophobicContact CB-CB 4.39Å; D25-K28 HydrophobicContact CB-CD 4.06Å; D25-K28 HydrophobicContact CB-CG 3.97Å; D25-K28 WeakPolarHBondContact O-CB 3.45Å; D25-K28 PolarHBondContact O-N 3.36Å; D25-R66 PolarHBondContact O-NH2 3.12Å
26Q87.6Confident92.6Very high42 Ų4267.5 Ų67.520%0.19638%0.377CS..THydrogen-bonded Turntrans-63.5-16.8-179.4-67.4-69.611.400113.1D6 V8 I24 R66D6-Q26 WeakPolarHBondContact O-CB 2.95Å; D6-Q26 WeakPolarHBondContact O-CG 3.33Å; D6-Q26 PolarHBondContact O-N 3.38Å; V8-Q26 HydrophobicContact CG2-CG 3.97Å; V8-Q26 VanDerWaalsContact CG2-NE2 3.3Å; I24-Q26 PolarHBondContact O-N 2.93Å; Q26-R66 PolarHBondContact NE2-O 3.33Å; Q26-R66 VanDerWaalsContact NE2-O 3.1Å; Q26-R66 PolarHBondContact O-NH2 2.98Å; Q26-R66 VanDerWaalsContact OE1-NH2 3.15Å
27K88.4Confident92.9Very high155 Ų15563 Ų6367%0.67433%0.331SS*.THydrogen-bonded Turntrans-82.9-19.9173.5-63.4175.1177.1155.20113.2D6 D25D6-K27 WeakPolarHBondContact OD2-CE 3.1Å; D6-K27 IonicContact OD2-NZ 2.64Å; D6-K27 PolarHBondContact OD2-NZ 3.18Å; D25-K27 PolarHBondContact O-N 3.43Å; D25-K27 VanDerWaalsContact O-N 3.16Å; D25-K27 WeakPolarHBondContact OD1-CB 3.33Å; D25-K27 PolarHBondContact OD1-N 3.19Å
28K91.3Very high93Very high90 Ų9061.2 Ų61.239%0.39132%0.315SS..SBendtrans-78.9136.3175.7-71.4-176.6-175.3175.90109.8D25 I33 R66D25-K28 HydrophobicContact CB-CB 4.39Å; D25-K28 HydrophobicContact CB-CD 4.06Å; D25-K28 HydrophobicContact CB-CG 3.97Å; D25-K28 WeakPolarHBondContact O-CB 3.45Å; D25-K28 PolarHBondContact O-N 3.36Å; K28-I33 HydrophobicContact CB-CD1 4.36Å; K28-I33 HydrophobicContact CB-CG1 4.32Å; K28-R66 VanDerWaalsContact O-CZ 3.3Å; K28-R66 PolarHBondContact O-NH1 3.42Å; K28-R66 PolarHBondContact O-NH2 3.26Å
29P93.3Very high93.1Very high70 Ų7059.1 Ų59.146%0.45530%0.304SS..  trans-55.6142.6173.2-24.233.5000112S31 S32 I33P29-S31 PolarHBondContact O-N 3.03Å; P29-S32 WeakPolarHBondContact O-CB 3.27Å; P29-S32 PolarHBondContact O-N 3.4Å; P29-I33 PolarHBondContact O-N 2.86Å
30L93.3Very high93Very high10 Ų1059 Ų595%0.05231%0.308CS..Hα-helixtrans-55.3-36.5177.1-80.4173.4000111.6S32 I33 I34 L51 I61 T62 E63 R66L30-S32 PolarHBondContact O-N 3.27Å; L30-I33 HydrophobicContact CD2-CD1 4.33Å; L30-I33 PolarHBondContact O-N 2.94Å; L30-I33 VanDerWaalsContact O-N 3.12Å; L30-I34 WeakPolarHBondContact O-CB 3.27Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 3.42Å; L30-L51 HydrophobicContact CD2-CD1 4.45Å; L30-I61 HydrophobicContact CD1-CG2 4.17Å; L30-I61 HydrophobicContact CD2-CG2 4.39Å; L30-T62 WeakPolarHBondContact CD1-O 3.33Å; L30-E63 WeakPolarHBondContact CB-OE1 3.48Å; L30-E63 HydrophobicContact CD1-CG 4.23Å; L30-E63 PolarHBondContact N-OE1 3.25Å; L30-R66 HydrophobicContact CD1-CB 4.32Å; L30-R66 HydrophobicContact CD2-CB 4.41Å
31S93.7Very high93Very high68 Ų6859.3 Ų59.348%0.47631%0.308SS..Hα-helixtrans-60.2-32.8176.659.20000113.4P29 R35P29-S31 PolarHBondContact O-N 3.03Å; S31-R35 WeakPolarHBondContact O-CB 3.38Å; S31-R35 PolarHBondContact O-N 2.83Å
32S94Very high92.9Very high40 Ų4057.5 Ų57.528%0.2831%0.308SS..Hα-helixtrans-73.6-39.4174.9-169.80000111.5P29 L30 R35 E36P29-S32 WeakPolarHBondContact O-CB 3.27Å; P29-S32 PolarHBondContact O-N 3.4Å; L30-S32 PolarHBondContact O-N 3.27Å; S32-R35 PolarHBondContact O-N 2.89Å; S32-E36 PolarHBondContact O-N 2.87Å; S32-E36 VanDerWaalsContact O-N 3.11Å
33I93.9Very high92.9Very high4 Ų458.6 Ų58.62%0.02131%0.313CS..Hα-helixtrans-65.4-45.9177.8-65.2154.4000109.8I24 K28 P29 L30 R35 E36 V37 L51 R66I24-I33 HydrophobicContact CD1-CG2 4.09Å; I24-I33 HydrophobicContact CG1-CG2 4Å; I24-I33 HydrophobicContact CG2-CD1 3.58Å; I24-I33 HydrophobicContact CG2-CG1 4.45Å; K28-I33 HydrophobicContact CB-CD1 4.36Å; K28-I33 HydrophobicContact CB-CG1 4.32Å; P29-I33 PolarHBondContact O-N 2.86Å; L30-I33 HydrophobicContact CD2-CD1 4.33Å; L30-I33 PolarHBondContact O-N 2.94Å; L30-I33 VanDerWaalsContact O-N 3.12Å; I33-R35 VanDerWaalsContact C-N 3.28Å; I33-R35 PolarHBondContact O-N 3.13Å; I33-E36 WeakPolarHBondContact O-CB 3.47Å; I33-E36 PolarHBondContact O-N 3.01Å; I33-V37 VanDerWaalsContact O-CG2 3.27Å; I33-V37 WeakPolarHBondContact O-CG2 3.49Å; I33-V37 PolarHBondContact O-N 3.05Å; I33-L51 HydrophobicContact CG2-CD1 4.46Å; I33-R66 VanDerWaalsContact CD1-NH2 3.32Å
34I95.8Very high92.8Very high18 Ų1858.4 Ų58.49%0.09233%0.325CS..Hα-helixtrans-59.7-40.6176.8-68.2161.5000110.7L30 V37 C38 S46 F49 L51 L77L30-I34 WeakPolarHBondContact O-CB 3.27Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 3.42Å; I34-V37 PolarHBondContact O-N 3.25Å; I34-C38 WeakPolarHBondContact O-CB 3.39Å; I34-C38 PolarHBondContact O-N 3.25Å; I34-C38 PolarHBondContact O-SG 3.3Å; I34-S46 WeakPolarHBondContact CG2-O 3.36Å; I34-F49 HydrophobicContact CG2-CB 4.11Å; I34-L51 HydrophobicContact CG1-CD1 4.44Å; I34-L51 HydrophobicContact CG1-CG 4.07Å; I34-L77 HydrophobicContact CG2-CD1 4.27Å
35R95.3Very high92.7Very high122 Ų12259.3 Ų59.346%0.4634%0.335SS..Hα-helixtrans-60.2-46.9175.6-169.7-177.4-55.4134.17.8111.9S31 S32 I33 V37 C38 D39S31-R35 WeakPolarHBondContact O-CB 3.38Å; S31-R35 PolarHBondContact O-N 2.83Å; S32-R35 PolarHBondContact O-N 2.89Å; I33-R35 VanDerWaalsContact C-N 3.28Å; I33-R35 PolarHBondContact O-N 3.13Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 3.24Å; R35-C38 PolarHBondContact O-N 3.09Å; R35-D39 WeakPolarHBondContact O-CB 3.29Å; R35-D39 PolarHBondContact O-N 3.09Å
36E94.1Very high92.8Very high97 Ų9758.1 Ų58.145%0.45333%0.33SS..Hα-helixtrans-59-44176.9-175.2177168.300111.9S32 I33 D39 G40S32-E36 PolarHBondContact O-N 2.87Å; S32-E36 VanDerWaalsContact O-N 3.11Å; I33-E36 WeakPolarHBondContact O-CB 3.47Å; I33-E36 PolarHBondContact O-N 3.01Å; E36-D39 PolarHBondContact O-N 3.26Å; E36-G40 PolarHBondContact O-N 2.78Å
37V94.4Very high92.9Very high0 Ų062.3 Ų62.30%035%0.35CS..Hα-helixtrans-61.2-48.1175.5176.80000111.4I12 Q20 I22 I33 I34 R35 G40 W41 L77I12-V37 HydrophobicContact CD1-CG2 3.59Å; I12-V37 HydrophobicContact CG2-CG1 4.1Å; Q20-V37 PolarHBondContact NE2-O 3.28Å; I22-V37 HydrophobicContact CD1-CB 4.41Å; I22-V37 HydrophobicContact CD1-CG2 3.4Å; I22-V37 VanDerWaalsContact CD1-CG2 3.4Å; I33-V37 VanDerWaalsContact O-CG2 3.27Å; I33-V37 WeakPolarHBondContact O-CG2 3.49Å; I33-V37 PolarHBondContact O-N 3.05Å; I34-V37 PolarHBondContact O-N 3.25Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 3.24Å; V37-G40 PolarHBondContact O-N 2.87Å; V37-W41 HydrophobicContact CG1-CE3 3.81Å; V37-W41 HydrophobicContact CG1-CH2 4.15Å; V37-W41 HydrophobicContact CG1-CZ3 3.39Å; V37-W41 PolarHBondContact O-N 2.88Å; V37-L77 HydrophobicContact CG1-CD1 4.22Å; V37-L77 HydrophobicContact CG1-CD2 4.14Å
38C94.9Very high93.2Very high0 Ų058.6 Ų58.60%034%0.335CS..Hα-helixtrans-61.3-44.1179.1-73.90000111.4I34 R35 G40 W41 S42 L43I34-C38 WeakPolarHBondContact O-CB 3.39Å; I34-C38 PolarHBondContact O-N 3.25Å; I34-C38 PolarHBondContact O-SG 3.3Å; R35-C38 PolarHBondContact O-N 3.09Å; C38-G40 VanDerWaalsContact C-N 3.28Å; C38-G40 PolarHBondContact O-N 3.1Å; C38-W41 CarbonylContact O-C 3.43Å; C38-W41 PolarHBondContact O-N 2.91Å; C38-W41 VanDerWaalsContact O-N 3.13Å; C38-S42 PolarHBondContact O-N 2.68Å; C38-L43 HydrophobicContact CB-CB 4.1Å; C38-L43 PolarHBondContact O-N 3.26Å
39D93.9Very high93.4Very high107 Ų10755.2 Ų55.257%0.57232%0.32SS*.Hα-helixtrans-60.5-40.3176.9-68.6-20000110.8R35 E36 W41 S42R35-D39 WeakPolarHBondContact O-CB 3.29Å; R35-D39 PolarHBondContact O-N 3.09Å; E36-D39 PolarHBondContact O-N 3.26Å; D39-W41 PolarHBondContact O-N 2.77Å; D39-S42 PolarHBondContact O-N 2.98Å
40G91.5Very high93.5Very high49 Ų4952.4 Ų52.451%0.50530%0.302SS..Hα-helixtrans-61.1-27.317600000114.7Q20 E36 V37 C38Q20-G40 VanDerWaalsContact NE2-C 3.26Å; E36-G40 PolarHBondContact O-N 2.78Å; V37-G40 PolarHBondContact O-N 2.87Å; C38-G40 VanDerWaalsContact C-N 3.28Å; C38-G40 PolarHBondContact O-N 3.1Å
41W94.8Very high93.7Very high42 Ų4252 Ų5216%0.15930%0.3CS..THydrogen-bonded Turntrans-105.49.3172.3-69.4-41.5000113.8I12 E13 W14 A17 N18 Q20 V37 C38 D39 L43 L77I12-W41 HydrophobicContact CB-CH2 4.31Å; I12-W41 HydrophobicContact CG2-CH2 3.97Å; I12-W41 HydrophobicContact CG2-CZ3 4.27Å; I12-W41 WeakPolarHBondContact O-CH2 3.16Å; I12-W41 VanDerWaalsContact O-CZ2 3.28Å; I12-W41 WeakPolarHBondContact O-CZ2 3.47Å; E13-W41 VanDerWaalsContact C-CH2 3.41Å; W14-W41 HydrophobicContact CB-CD2 3.79Å; W14-W41 HydrophobicContact CB-CE3 3.55Å; W14-W41 HydrophobicContact CB-CH2 3.42Å; W14-W41 VanDerWaalsContact CB-CH2 3.42Å; W14-W41 HydrophobicContact CB-CZ2 3.65Å; W14-W41 HydrophobicContact CB-CZ3 3.38Å; W14-W41 HydrophobicContact CG-CD2 4.27Å; W14-W41 HydrophobicContact CG-CE3 4.02Å; W14-W41 HydrophobicContact CG-CZ3 4.23Å; A17-W41 HydrophobicContact CB-CG 4.41Å; N18-W41 PolarHBondContact O-NE1 2.95Å; Q20-W41 HydrophobicContact CB-CZ2 4.29Å; Q20-W41 HydrophobicContact CG-CD2 4.43Å; Q20-W41 HydrophobicContact CG-CH2 4.47Å; Q20-W41 HydrophobicContact CG-CZ2 3.76Å; Q20-W41 VanDerWaalsContact NE2-CE2 3.25Å; V37-W41 HydrophobicContact CG1-CE3 3.81Å; V37-W41 HydrophobicContact CG1-CH2 4.15Å; V37-W41 HydrophobicContact CG1-CZ3 3.39Å; V37-W41 PolarHBondContact O-N 2.88Å; C38-W41 CarbonylContact O-C 3.43Å; C38-W41 PolarHBondContact O-N 2.91Å; C38-W41 VanDerWaalsContact O-N 3.13Å; D39-W41 PolarHBondContact O-N 2.77Å; W41-L43 HydrophobicContact CB-CD1 4.17Å; W41-L43 HydrophobicContact CB-CG 4Å; W41-L43 HydrophobicContact CE3-CD1 4.26Å; W41-L43 PolarHBondContact O-N 3.48Å; W41-L77 HydrophobicContact CE3-CD2 3.9Å; W41-L77 HydrophobicContact CZ3-CB 3.8Å; W41-L77 HydrophobicContact CZ3-CD2 3.81Å; W41-L77 HydrophobicContact CZ3-CG 4.43Å
42S93.4Very high93.7Very high113 Ų11350.1 Ų50.179%0.7928%0.283SS*.THydrogen-bonded Turntrans54.936-177-59.20000113.8C38 D39C38-S42 PolarHBondContact O-N 2.68Å; D39-S42 PolarHBondContact O-N 2.98Å
43L92.3Very high93.6Very high39 Ų3950.4 Ų50.420%0.20428%0.278CS..  trans-86.9127175.1-62.2175000110W14 C38 W41 F49 L77W14-L43 HydrophobicContact CD2-CD1 4.1Å; W14-L43 HydrophobicContact CE3-CD1 4.42Å; W14-L43 HydrophobicContact CZ2-CD1 4.21Å; W14-L43 HydrophobicContact CZ2-CD2 4.23Å; C38-L43 HydrophobicContact CB-CB 4.1Å; C38-L43 PolarHBondContact O-N 3.26Å; W41-L43 HydrophobicContact CB-CD1 4.17Å; W41-L43 HydrophobicContact CB-CG 4Å; W41-L43 HydrophobicContact CE3-CD1 4.26Å; W41-L43 PolarHBondContact O-N 3.48Å; L43-F49 HydrophobicContact CB-CE2 4.3Å; L43-F49 HydrophobicContact CB-CZ 4.45Å; L43-F49 HydrophobicContact CD1-CZ 4.31Å; L43-L77 HydrophobicContact CD1-CD2 3.59Å
44S90.8Very high93.4Very high110 Ų11050.4 Ų50.477%0.76928%0.279SS*.SBendtrans-85.6150.8174.857.10000111.9
45G90.4Very high92.7Very high21 Ų2154.9 Ų54.922%0.21630%0.303CS..  trans75.359.6177.300000113.4E47 Q48 F49G45-E47 VanDerWaalsContact CA-OE1 3.3Å; G45-E47 WeakPolarHBondContact CA-OE1 3.34Å; G45-E47 VanDerWaalsContact CA-OE2 3.25Å; G45-E47 WeakPolarHBondContact CA-OE2 3.36Å; G45-E47 PolarHBondContact O-N 2.96Å; G45-Q48 VanDerWaalsContact O-CB 3.29Å; G45-Q48 WeakPolarHBondContact O-CB 3.48Å; G45-Q48 WeakPolarHBondContact O-CG 3.46Å; G45-Q48 PolarHBondContact O-N 3.44Å; G45-F49 WeakPolarHBondContact O-CD2 3.45Å
46S91.2Very high92Very high24 Ų2451.7 Ų51.717%0.16831%0.308CS..G310 helixtrans-51.8-28.9179.859.40000114.1I34 Q48 F49I34-S46 WeakPolarHBondContact CG2-O 3.36Å; S46-Q48 PolarHBondContact O-N 3.13Å; S46-F49 PolarHBondContact O-N 2.93Å
47E91.3Very high91.2Very high130 Ų13050 Ų5061%0.60731%0.305SS*.G310 helixtrans-66.3-16176.172.2-69.2162.600114.1G45 F49G45-E47 VanDerWaalsContact CA-OE1 3.3Å; G45-E47 WeakPolarHBondContact CA-OE1 3.34Å; G45-E47 VanDerWaalsContact CA-OE2 3.25Å; G45-E47 WeakPolarHBondContact CA-OE2 3.36Å; G45-E47 PolarHBondContact O-N 2.96Å; E47-F49 VanDerWaalsContact C-N 3.29Å
48Q92.9Very high90.9Very high76 Ų7652 Ų5236%0.35531%0.314SS..G310 helixtrans-88.31.3179-54.5-173.620.600113.1G45 S46 I79 S80G45-Q48 VanDerWaalsContact O-CB 3.29Å; G45-Q48 WeakPolarHBondContact O-CB 3.48Å; G45-Q48 WeakPolarHBondContact O-CG 3.46Å; G45-Q48 PolarHBondContact O-N 3.44Å; S46-Q48 PolarHBondContact O-N 3.13Å; Q48-I79 WeakPolarHBondContact O-CA 3.44Å; Q48-S80 PolarHBondContact O-N 2.85Å
49F96Very high90.7Very high20 Ų2054.3 Ų54.39%0.08833%0.327CS..EExtended strand (participates in β ladder)trans-122.2159-176.9-60-81.6000111.8W14 I34 L43 G45 S46 E47 L77 A78W14-F49 HydrophobicContact CH2-CD1 4.41Å; W14-F49 AromaticContact CH2-CE1 3.64Å; W14-F49 HydrophobicContact CH2-CE1 3.64Å; W14-F49 HydrophobicContact CH2-CZ 4.45Å; W14-F49 HydrophobicContact CZ3-CD1 4.18Å; W14-F49 AromaticContact CZ3-CE1 3.85Å; W14-F49 HydrophobicContact CZ3-CE1 3.85Å; I34-F49 HydrophobicContact CG2-CB 4.11Å; L43-F49 HydrophobicContact CB-CE2 4.3Å; L43-F49 HydrophobicContact CB-CZ 4.45Å; L43-F49 HydrophobicContact CD1-CZ 4.31Å; G45-F49 WeakPolarHBondContact O-CD2 3.45Å; S46-F49 PolarHBondContact O-N 2.93Å; E47-F49 VanDerWaalsContact C-N 3.29Å; F49-L77 HydrophobicContact CB-CD1 3.77Å; F49-L77 HydrophobicContact CB-CD2 4.46Å; F49-L77 HydrophobicContact CB-CG 4.09Å; F49-L77 HydrophobicContact CD1-CD2 4.16Å; F49-L77 HydrophobicContact CD1-CG 4.14Å; F49-L77 HydrophobicContact CG-CD1 4.46Å; F49-L77 HydrophobicContact CG-CD2 4.28Å; F49-L77 HydrophobicContact CG-CG 4.3Å; F49-A78 CarbonylContact C-O 3.59Å; F49-A78 WeakPolarHBondContact CA-O 3.45Å; F49-A78 WeakPolarHBondContact CB-O 3.28Å
50A96.5Very high90.8Very high10 Ų1049.5 Ų49.58%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-146.7163.6173.200000110.1Y60 A78A50-Y60 HydrophobicContact CB-CD1 3.92Å; A50-Y60 HydrophobicContact CB-CE1 4.09Å; A50-A78 PolarHBondContact N-O 3.06Å; A50-A78 PolarHBondContact O-N 3.14Å
51L95.8Very high90.9Very high1 Ų147.7 Ų47.71%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-91.6139.3173.7-63.8178.6000110.4I12 L30 I33 I34 I61 L75 L77I12-L51 HydrophobicContact CD1-CD1 4.37Å; I12-L51 HydrophobicContact CD1-CD2 4.01Å; I12-L51 HydrophobicContact CG2-CD2 3.93Å; L30-L51 HydrophobicContact CD2-CD1 4.45Å; I33-L51 HydrophobicContact CG2-CD1 4.46Å; I34-L51 HydrophobicContact CG1-CD1 4.44Å; I34-L51 HydrophobicContact CG1-CG 4.07Å; L51-I61 HydrophobicContact CB-CB 4.28Å; L51-I61 HydrophobicContact CB-CD1 4.19Å; L51-I61 PolarHBondContact O-N 3Å; L51-L75 HydrophobicContact CD1-CD1 4.15Å; L51-L77 HydrophobicContact CD2-CD1 4.05Å
52R94.3Very high90.8Very high30 Ų3047.3 Ų47.311%0.11328%0.281CS..EExtended strand (participates in β ladder)trans-131.8155.6172-63.8177.472.3166-2110Q58 L59 Y60 L75 R76 A78R52-Q58 PolarHBondContact NE-O 2.89Å; R52-Q58 PolarHBondContact NH2-O 3.29Å; R52-L59 VanDerWaalsContact CA-O 3.23Å; R52-L59 WeakPolarHBondContact CA-O 3.32Å; R52-Y60 VanDerWaalsContact CD-CE1 3.41Å; R52-Y60 HydrophobicContact CG-CD1 3.32Å; R52-Y60 HydrophobicContact CG-CD2 4.47Å; R52-Y60 HydrophobicContact CG-CE1 3.53Å; R52-Y60 HydrophobicContact CG-CG 3.85Å; R52-Y60 PolarHBondContact NH1-OH 3.11Å; R52-L75 CarbonylContact O-C 3.35Å; R52-L75 VanDerWaalsContact O-CA 3.27Å; R52-L75 WeakPolarHBondContact O-CA 3.31Å; R52-R76 PolarHBondContact N-O 3.23Å; R52-R76 PolarHBondContact O-N 3.21Å; R52-A78 VanDerWaalsContact CD-CB 3.5Å; R52-A78 HydrophobicContact CG-CB 4.04Å
53Y92.5Very high90.7Very high46 Ų4646.8 Ų46.818%0.1827%0.266CS..EExtended strand (participates in β ladder)trans-61.7138.2165-67.5-78.1000110.2Q58 L59 I61 T73 L75Y53-Q58 WeakPolarHBondContact O-CA 3.18Å; Y53-Q58 WeakPolarHBondContact O-CB 3.4Å; Y53-Q58 WeakPolarHBondContact O-CG 3.49Å; Y53-L59 HydrophobicContact CD2-CB 4.28Å; Y53-L59 WeakPolarHBondContact CD2-O 3.44Å; Y53-L59 PolarHBondContact N-O 3.48Å; Y53-I61 HydrophobicContact CD2-CG1 4.28Å; Y53-I61 HydrophobicContact CE2-CD1 4.34Å; Y53-I61 HydrophobicContact CE2-CG1 3.96Å; Y53-T73 HydrophobicContact CD1-CG2 3.65Å; Y53-T73 HydrophobicContact CE1-CG2 3.68Å; Y53-L75 HydrophobicContact CD1-CD2 3.99Å; Y53-L75 HydrophobicContact CE1-CD2 4.31Å
54A88.6Confident90.3Very high4 Ų453.1 Ų53.13%0.03330%0.295CS..SBendtrans-76.2-31.3175.800000111.9Q58 I74A54-Q58 WeakPolarHBondContact O-CG 3.44Å; A54-Q58 PolarHBondContact O-NE2 2.82Å; A54-I74 HydrophobicContact CB-CB 4.09Å; A54-I74 HydrophobicContact CB-CG2 3.7Å; A54-I74 WeakPolarHBondContact CB-O 3.5Å; A54-I74 PolarHBondContact N-O 3.38Å
55D81.2Confident90.1Very high112 Ų11248.8 Ų48.860%0.59927%0.265SS*.SBendtrans-109.3170.1-175.6-58.6-42.6000112.8Q58D55-Q58 PolarHBondContact O-N 3.25Å
56G81.8Confident89.9Confident54 Ų5448.4 Ų48.456%0.55726%0.257SS*.THydrogen-bonded Turntrans60.3-136.4178.400000113.2Q58G56-Q58 PolarHBondContact O-N 2.95Å; G56-Q58 VanDerWaalsContact O-N 3.11Å
57P75.9Confident89.4Confident62 Ų6251.4 Ų51.440%0.40328%0.278SS..THydrogen-bonded Turntrans-70.3-4.1-178.827.9-33.8000113.9L59P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 HydrophobicContact CB-CD2 4.22Å; P57-L59 HydrophobicContact CB-CG 4.06Å; P57-L59 HydrophobicContact CG-CD1 4.14Å; P57-L59 HydrophobicContact CG-CG 3.94Å; P57-L59 PolarHBondContact O-N 3.4Å
58Q89.7Confident88.9Confident42 Ų4251.3 Ų51.320%0.19628%0.277CS..  trans54.144.1177.5-62.4177.9-15.100113.1R52 Y53 A54 D55 G56R52-Q58 PolarHBondContact NE-O 2.89Å; R52-Q58 PolarHBondContact NH2-O 3.29Å; Y53-Q58 WeakPolarHBondContact O-CA 3.18Å; Y53-Q58 WeakPolarHBondContact O-CB 3.4Å; Y53-Q58 WeakPolarHBondContact O-CG 3.49Å; A54-Q58 WeakPolarHBondContact O-CG 3.44Å; A54-Q58 PolarHBondContact O-NE2 2.82Å; D55-Q58 PolarHBondContact O-N 3.25Å; G56-Q58 PolarHBondContact O-N 2.95Å; G56-Q58 VanDerWaalsContact O-N 3.11Å
59L90.8Very high88.5Confident49 Ų4948.1 Ų48.126%0.25726%0.262SS..PPolyproline II helixtrans-68.4150.7-177.1-60.4175000112R52 Y53 P57 D113R52-L59 VanDerWaalsContact CA-O 3.23Å; R52-L59 WeakPolarHBondContact CA-O 3.32Å; Y53-L59 HydrophobicContact CD2-CB 4.28Å; Y53-L59 WeakPolarHBondContact CD2-O 3.44Å; Y53-L59 PolarHBondContact N-O 3.48Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 HydrophobicContact CB-CD2 4.22Å; P57-L59 HydrophobicContact CB-CG 4.06Å; P57-L59 HydrophobicContact CG-CD1 4.14Å; P57-L59 HydrophobicContact CG-CG 3.94Å; P57-L59 PolarHBondContact O-N 3.4Å; L59-D113 WeakPolarHBondContact CA-OD2 3.46Å; L59-D113 HydrophobicContact CD2-CB 3.85Å
60Y94.8Very high87.9Confident5 Ų550.3 Ų50.32%0.0227%0.272CS..BIsolated β-bridgetrans-69.1140.1169.9-75.1-79.2000111.2A50 R52 I79 P81 D113 F116A50-Y60 HydrophobicContact CB-CD1 3.92Å; A50-Y60 HydrophobicContact CB-CE1 4.09Å; R52-Y60 VanDerWaalsContact CD-CE1 3.41Å; R52-Y60 HydrophobicContact CG-CD1 3.32Å; R52-Y60 HydrophobicContact CG-CD2 4.47Å; R52-Y60 HydrophobicContact CG-CE1 3.53Å; R52-Y60 HydrophobicContact CG-CG 3.85Å; R52-Y60 PolarHBondContact NH1-OH 3.11Å; Y60-I79 WeakPolarHBondContact CE1-O 3.19Å; Y60-I79 PolarHBondContact OH-O 3.14Å; Y60-P81 HydrophobicContact CD1-CG 3.56Å; Y60-P81 HydrophobicContact CD2-CB 4.47Å; Y60-P81 HydrophobicContact CD2-CG 3.97Å; Y60-P81 HydrophobicContact CE1-CG 3.69Å; Y60-P81 HydrophobicContact CE2-CB 4.34Å; Y60-P81 HydrophobicContact CE2-CG 4.12Å; Y60-P81 HydrophobicContact CG-CG 3.71Å; Y60-D113 VanDerWaalsContact CD2-OD2 3.3Å; Y60-D113 WeakPolarHBondContact CD2-OD2 3.4Å; Y60-D113 PolarHBondContact N-OD2 3.2Å; Y60-F116 HydrophobicContact CD2-CB 4.21Å; Y60-F116 HydrophobicContact CE2-CB 4Å
61I94.1Very high87.4Confident12 Ų1254.4 Ų54.46%0.06229%0.293CS..PPolyproline II helixtrans-93.4125176.1-61.7173.7000108.3L30 L51 Y53 R66 M69 L75L30-I61 HydrophobicContact CD1-CG2 4.17Å; L30-I61 HydrophobicContact CD2-CG2 4.39Å; L51-I61 HydrophobicContact CB-CB 4.28Å; L51-I61 HydrophobicContact CB-CD1 4.19Å; L51-I61 PolarHBondContact O-N 3Å; Y53-I61 HydrophobicContact CD2-CG1 4.28Å; Y53-I61 HydrophobicContact CE2-CD1 4.34Å; Y53-I61 HydrophobicContact CE2-CG1 3.96Å; I61-R66 HydrophobicContact CG2-CB 3.88Å; I61-M69 HydrophobicContact CD1-CG 4.11Å; I61-M69 HydrophobicContact CD1-SD 3.89Å; I61-M69 HydrophobicContact CG2-CG 4.49Å; I61-M69 HydrophobicContact CG2-SD 3.77Å; I61-L75 HydrophobicContact CD1-CD1 3.92Å; I61-L75 HydrophobicContact CD1-CD2 3.37Å; I61-L75 HydrophobicContact CD1-CG 4.27Å
62T93.1Very high87Confident33 Ų3357.4 Ų57.420%0.20232%0.323CS..  trans-113.1170.6177.271.50000109.8L30 Q64 S65 R66 T115L30-T62 WeakPolarHBondContact CD1-O 3.33Å; T62-Q64 PolarHBondContact O-N 2.85Å; T62-Q64 VanDerWaalsContact O-N 3.11Å; T62-Q64 PolarHBondContact OG1-N 2.86Å; T62-S65 PolarHBondContact N-OG 3.47Å; T62-S65 PolarHBondContact O-N 3.27Å; T62-S65 PolarHBondContact OG1-N 3Å; T62-S65 VanDerWaalsContact OG1-N 3.14Å; T62-S65 PolarHBondContact OG1-OG 3.24Å; T62-R66 WeakPolarHBondContact O-CB 3.33Å; T62-R66 PolarHBondContact O-N 3.36Å; T62-T115 HydrophobicContact CG2-CG2 3.63Å; T62-T115 WeakPolarHBondContact CG2-OG1 3.43Å
63E90.8Very high86.7Confident102 Ų10257.3 Ų57.348%0.47733%0.326SS..THydrogen-bonded Turntrans-60.7-20.2173.5-65.5-69.3-176.300112.5L30 R66L30-E63 WeakPolarHBondContact CB-OE1 3.48Å; L30-E63 HydrophobicContact CD1-CG 4.23Å; L30-E63 PolarHBondContact N-OE1 3.25Å; E63-R66 WeakPolarHBondContact O-CG 3.44Å; E63-R66 IonicContact OE1-NH1 3.85Å; E63-R66 WeakPolarHBondContact OE2-CD 3.41Å; E63-R66 IonicContact OE2-CZ 3.69Å; E63-R66 IonicContact OE2-NE 3.81Å; E63-R66 IonicContact OE2-NH1 2.78Å; E63-R66 PolarHBondContact OE2-NH1 3.48Å
64Q84.6Confident86.7Confident172 Ų17258.2 Ų58.280%0.80433%0.333SS*.THydrogen-bonded Turntrans-86.6-39.1177.7-64.3160.6-1.500111.8T62 S67T62-Q64 PolarHBondContact O-N 2.85Å; T62-Q64 VanDerWaalsContact O-N 3.11Å; T62-Q64 PolarHBondContact OG1-N 2.86Å; Q64-S67 PolarHBondContact O-OG 3.1Å
65S85.9Confident87.1Confident20 Ų2058 Ų5814%0.1433%0.332CS..THydrogen-bonded Turntrans-91.5-9.6-177.461.30000114.2T62 S67 E68T62-S65 PolarHBondContact N-OG 3.47Å; T62-S65 PolarHBondContact O-N 3.27Å; T62-S65 PolarHBondContact OG1-N 3Å; T62-S65 VanDerWaalsContact OG1-N 3.14Å; T62-S65 PolarHBondContact OG1-OG 3.24Å; S65-S67 PolarHBondContact O-N 2.94Å; S65-S67 VanDerWaalsContact O-N 3.13Å; S65-E68 VanDerWaalsContact O-CB 3.31Å; S65-E68 WeakPolarHBondContact O-CB 3.48Å; S65-E68 PolarHBondContact O-N 2.95Å
66R85.8Confident87.7Confident13 Ų1357.2 Ų57.25%0.04932%0.32CS..G310 helixtrans-61.5-20179.567.2-178.4-67175.20.6114.7D25 Q26 K28 L30 I33 I61 T62 E63 E68 M69D25-R66 PolarHBondContact O-NH2 3.12Å; Q26-R66 PolarHBondContact NE2-O 3.33Å; Q26-R66 VanDerWaalsContact NE2-O 3.1Å; Q26-R66 PolarHBondContact O-NH2 2.98Å; Q26-R66 VanDerWaalsContact OE1-NH2 3.15Å; K28-R66 VanDerWaalsContact O-CZ 3.3Å; K28-R66 PolarHBondContact O-NH1 3.42Å; K28-R66 PolarHBondContact O-NH2 3.26Å; L30-R66 HydrophobicContact CD1-CB 4.32Å; L30-R66 HydrophobicContact CD2-CB 4.41Å; I33-R66 VanDerWaalsContact CD1-NH2 3.32Å; I61-R66 HydrophobicContact CG2-CB 3.88Å; T62-R66 WeakPolarHBondContact O-CB 3.33Å; T62-R66 PolarHBondContact O-N 3.36Å; E63-R66 WeakPolarHBondContact O-CG 3.44Å; E63-R66 IonicContact OE1-NH1 3.85Å; E63-R66 WeakPolarHBondContact OE2-CD 3.41Å; E63-R66 IonicContact OE2-CZ 3.69Å; E63-R66 IonicContact OE2-NE 3.81Å; E63-R66 IonicContact OE2-NH1 2.78Å; E63-R66 PolarHBondContact OE2-NH1 3.48Å; R66-E68 PolarHBondContact O-N 3.16Å; R66-M69 HydrophobicContact CB-SD 4.04Å; R66-M69 WeakPolarHBondContact O-CB 3.44Å; R66-M69 WeakPolarHBondContact O-CG 3.31Å; R66-M69 PolarHBondContact O-N 3.33Å
67S81.3Confident88.4Confident87 Ų8754.7 Ų54.761%0.60829%0.294SS*.G310 helixtrans-69.1-23.3173.951.20000112.5Q64 S65 M69Q64-S67 PolarHBondContact O-OG 3.1Å; S65-S67 PolarHBondContact O-N 2.94Å; S65-S67 VanDerWaalsContact O-N 3.13Å; S67-M69 PolarHBondContact O-N 3.4Å
68E80.1Confident89.3Confident127 Ų12752.5 Ų52.559%0.59328%0.282SS*.G310 helixtrans-75.4-12.6177.8-57.7175.3-173.900112.4S65 R66S65-E68 VanDerWaalsContact O-CB 3.31Å; S65-E68 WeakPolarHBondContact O-CB 3.48Å; S65-E68 PolarHBondContact O-N 2.95Å; R66-E68 PolarHBondContact O-N 3.16Å
69M84.6Confident89.6Confident9 Ų952.6 Ų52.64%0.04428%0.283CS..  trans-67.4134-178.5-65.5173.551.900111.9V8 V10 I24 I61 R66 S67 L75V8-M69 HydrophobicContact CG1-CB 4.41Å; V10-M69 HydrophobicContact CG1-CE 3.83Å; I24-M69 HydrophobicContact CD1-CE 3.61Å; I61-M69 HydrophobicContact CD1-CG 4.11Å; I61-M69 HydrophobicContact CD1-SD 3.89Å; I61-M69 HydrophobicContact CG2-CG 4.49Å; I61-M69 HydrophobicContact CG2-SD 3.77Å; R66-M69 HydrophobicContact CB-SD 4.04Å; R66-M69 WeakPolarHBondContact O-CB 3.44Å; R66-M69 WeakPolarHBondContact O-CG 3.31Å; R66-M69 PolarHBondContact O-N 3.33Å; S67-M69 PolarHBondContact O-N 3.4Å; M69-L75 HydrophobicContact CE-CD1 3.65Å
70K84.8Confident89.8Confident67 Ų6751 Ų5129%0.29128%0.276SS..  trans-112.1157.5-178.1-57.7-167.5-180-1720112V8 G72 T73 D602V8-K70 WeakPolarHBondContact CG1-O 3.48Å; K70-G72 PolarHBondContact O-N 3.33Å; K70-T73 PolarHBondContact N-OG1 3.21Å; K70-T73 WeakPolarHBondContact O-CB 3.35Å; K70-T73 PolarHBondContact O-N 3.45Å; K70-T73 VanDerWaalsContact O-N 3.14Å; K70-T73 PolarHBondContact O-OG1 2.69Å; K70-D602 VanDerWaalsContact CD-OD1 3.3Å; K70-D602 WeakPolarHBondContact CD-OD1 3.25Å; K70-D602 WeakPolarHBondContact CE-OD1 3.02Å; K70-D602 IonicContact NZ-OD1 3.84Å; K70-D602 PolarHBondContact NZ-OD1 3.14Å; K70-D602 IonicContact NZ-OD2 2.92Å; K70-D602 PolarHBondContact NZ-OD2 3.26Å
71N85.5Confident89.8Confident96 Ų9651.7 Ų51.751%0.51328%0.281SS..THydrogen-bonded Turntrans-60.5130.1172-78.9-69.5000109.8K9K9-N71 WeakPolarHBondContact CB-OD1 3.48Å; K9-N71 WeakPolarHBondContact CG-OD1 3.5Å; K9-N71 PolarHBondContact N-OD1 3.17Å; K9-N71 CarbonylContact O-C 3.54Å; K9-N71 WeakPolarHBondContact O-CA 3.42Å
72G85.9Confident89.9Confident63 Ų6352.4 Ų52.465%0.64929%0.289SS*.THydrogen-bonded Turntrans87.40.2-177.700000114.6K9 K70 I74K9-G72 PolarHBondContact O-N 2.82Å; K70-G72 PolarHBondContact O-N 3.33Å; G72-I74 PolarHBondContact O-N 3.49Å
73T89.4Confident90Very high29 Ų2954 Ų5418%0.17829%0.291CS..  trans-61.2135.2172.7-61.50000110.6V10 A11 Y53 K70 L75V10-T73 WeakPolarHBondContact CA-O 3.46Å; V10-T73 WeakPolarHBondContact CB-O 3.33Å; A11-T73 PolarHBondContact N-O 2.99Å; Y53-T73 HydrophobicContact CD1-CG2 3.65Å; Y53-T73 HydrophobicContact CE1-CG2 3.68Å; K70-T73 PolarHBondContact N-OG1 3.21Å; K70-T73 WeakPolarHBondContact O-CB 3.35Å; K70-T73 PolarHBondContact O-N 3.45Å; K70-T73 VanDerWaalsContact O-N 3.14Å; K70-T73 PolarHBondContact O-OG1 2.69Å; T73-L75 HydrophobicContact CG2-CD2 3.62Å; T73-L75 HydrophobicContact CG2-CG 4.33Å
74I92.8Very high90.2Very high64 Ų6449.2 Ų49.233%0.32827%0.269SS..EExtended strand (participates in β ladder)trans-93.4122.9171.6-52177.8000108.5A11 E13 A54 G72A11-I74 WeakPolarHBondContact O-CA 3.25Å; E13-I74 HydrophobicContact CG-CG2 3.89Å; A54-I74 HydrophobicContact CB-CB 4.09Å; A54-I74 HydrophobicContact CB-CG2 3.7Å; A54-I74 WeakPolarHBondContact CB-O 3.5Å; A54-I74 PolarHBondContact N-O 3.38Å; G72-I74 PolarHBondContact O-N 3.49Å
75L95.4Very high90.8Very high0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-111.4160.9177.6-56-177.5000110.1V10 A11 I12 E13 I24 L51 R52 Y53 I61 M69 T73V10-L75 HydrophobicContact CB-CD1 4.27Å; V10-L75 HydrophobicContact CB-CG 4.44Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 HydrophobicContact CG2-CD1 4.09Å; A11-L75 PolarHBondContact O-N 3.28Å; I12-L75 CarbonylContact C-O 3.47Å; I12-L75 WeakPolarHBondContact CA-O 3.39Å; I12-L75 HydrophobicContact CG1-CB 4.21Å; I12-L75 HydrophobicContact CG1-CD1 4.42Å; I12-L75 HydrophobicContact CG2-CB 4.45Å; E13-L75 PolarHBondContact N-O 3.38Å; I24-L75 HydrophobicContact CD1-CD1 4.49Å; L51-L75 HydrophobicContact CD1-CD1 4.15Å; R52-L75 CarbonylContact O-C 3.35Å; R52-L75 VanDerWaalsContact O-CA 3.27Å; R52-L75 WeakPolarHBondContact O-CA 3.31Å; Y53-L75 HydrophobicContact CD1-CD2 3.99Å; Y53-L75 HydrophobicContact CE1-CD2 4.31Å; I61-L75 HydrophobicContact CD1-CD1 3.92Å; I61-L75 HydrophobicContact CD1-CD2 3.37Å; I61-L75 HydrophobicContact CD1-CG 4.27Å; M69-L75 HydrophobicContact CE-CD1 3.65Å; T73-L75 HydrophobicContact CG2-CD2 3.62Å; T73-L75 HydrophobicContact CG2-CG 4.33Å
76R95.3Very high91.3Very high95 Ų9546.5 Ų46.536%0.35825%0.248SC..EExtended strand (participates in β ladder)trans-122.5134.1170.5-176.8167.9-67.2161.24.4109.6E13 R52 A78E13-R76 IonicContact OE2-NE 2.65Å; E13-R76 IonicContact OE2-NH2 2.85Å; E13-R76 PolarHBondContact OE2-NH2 3.39Å; R52-R76 PolarHBondContact N-O 3.23Å; R52-R76 PolarHBondContact O-N 3.21Å; R76-A78 PolarHBondContact O-N 3.2Å
77L96Very high91.7Very high2 Ų249.4 Ų49.41%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-74.8118.6164.2-171.575.2000107.9I12 E13 W14 I34 V37 W41 L43 F49 L51I12-L77 HydrophobicContact CG2-CB 4.25Å; E13-L77 PolarHBondContact O-N 2.91Å; W14-L77 HydrophobicContact CE3-CB 4Å; W14-L77 HydrophobicContact CE3-CD2 4.02Å; W14-L77 HydrophobicContact CE3-CG 4.23Å; W14-L77 VanDerWaalsContact CE3-O 3.27Å; W14-L77 HydrophobicContact CZ3-CD2 4.39Å; W14-L77 HydrophobicContact CZ3-CG 4.48Å; W14-L77 WeakPolarHBondContact CZ3-O 3.27Å; I34-L77 HydrophobicContact CG2-CD1 4.27Å; V37-L77 HydrophobicContact CG1-CD1 4.22Å; V37-L77 HydrophobicContact CG1-CD2 4.14Å; W41-L77 HydrophobicContact CE3-CD2 3.9Å; W41-L77 HydrophobicContact CZ3-CB 3.8Å; W41-L77 HydrophobicContact CZ3-CD2 3.81Å; W41-L77 HydrophobicContact CZ3-CG 4.43Å; L43-L77 HydrophobicContact CD1-CD2 3.59Å; F49-L77 HydrophobicContact CB-CD1 3.77Å; F49-L77 HydrophobicContact CB-CD2 4.46Å; F49-L77 HydrophobicContact CB-CG 4.09Å; F49-L77 HydrophobicContact CD1-CD2 4.16Å; F49-L77 HydrophobicContact CD1-CG 4.14Å; F49-L77 HydrophobicContact CG-CD1 4.46Å; F49-L77 HydrophobicContact CG-CD2 4.28Å; F49-L77 HydrophobicContact CG-CG 4.3Å; L51-L77 HydrophobicContact CD2-CD1 4.05Å
78A94.6Very high92.4Very high16 Ų1645.4 Ų45.413%0.13223%0.234CC..EExtended strand (participates in β ladder)trans-123.4167.6-18000000110.1F49 A50 R52 R76F49-A78 CarbonylContact C-O 3.59Å; F49-A78 WeakPolarHBondContact CA-O 3.45Å; F49-A78 WeakPolarHBondContact CB-O 3.28Å; A50-A78 PolarHBondContact N-O 3.06Å; A50-A78 PolarHBondContact O-N 3.14Å; R52-A78 VanDerWaalsContact CD-CB 3.5Å; R52-A78 HydrophobicContact CG-CB 4.04Å; R76-A78 PolarHBondContact O-N 3.2Å
79I95.2Very high93.1Very high43 Ų4340.4 Ų40.422%0.22121%0.211CC..EExtended strand (participates in β ladder)trans-60.2146.116954.6171.4000110.3Q48 Y60 A84Q48-I79 WeakPolarHBondContact O-CA 3.44Å; Y60-I79 WeakPolarHBondContact CE1-O 3.19Å; Y60-I79 PolarHBondContact OH-O 3.14Å; I79-A84 HydrophobicContact CD1-CB 3.69Å; I79-A84 HydrophobicContact CG1-CB 4Å
80S95.9Very high93.5Very high17 Ų1744.6 Ų44.612%0.11923%0.234CC..  trans-63.1150.1-178.464.10000111.8Q48 A82 R83 A84Q48-S80 PolarHBondContact O-N 2.85Å; S80-A82 VanDerWaalsContact C-N 3.28Å; S80-A82 PolarHBondContact O-N 2.79Å; S80-R83 PolarHBondContact O-N 3.13Å; S80-R83 WeakPolarHBondContact OG-CB 3.18Å; S80-A84 PolarHBondContact O-N 3.37Å
81P95.6Very high93.9Very high18 Ų1845.6 Ų45.612%0.11724%0.236CC..Hα-helixtrans-53.3-43.7-178.3-25.631.3000113.1Y60 R83 A84 A85 T115 E119Y60-P81 HydrophobicContact CD1-CG 3.56Å; Y60-P81 HydrophobicContact CD2-CB 4.47Å; Y60-P81 HydrophobicContact CD2-CG 3.97Å; Y60-P81 HydrophobicContact CE1-CG 3.69Å; Y60-P81 HydrophobicContact CE2-CB 4.34Å; Y60-P81 HydrophobicContact CE2-CG 4.12Å; Y60-P81 HydrophobicContact CG-CG 3.71Å; P81-R83 PolarHBondContact O-N 2.9Å; P81-A84 PolarHBondContact O-N 3.21Å; P81-A85 VanDerWaalsContact O-CB 3.31Å; P81-A85 WeakPolarHBondContact O-CB 3.21Å; P81-A85 PolarHBondContact O-N 2.8Å; P81-T115 HydrophobicContact CB-CG2 4.36Å; P81-T115 HydrophobicContact CG-CG2 3.91Å; P81-E119 HydrophobicContact CB-CG 4Å
82A94.9Very high94.2Very high27 Ų2741 Ų4122%0.22321%0.212CC..Hα-helixtrans-63.8-39.4177.500000112.6S80 R86 E119 M123S80-A82 VanDerWaalsContact C-N 3.28Å; S80-A82 PolarHBondContact O-N 2.79Å; A82-R86 WeakPolarHBondContact O-CB 3.23Å; A82-R86 PolarHBondContact O-N 2.89Å; A82-R86 VanDerWaalsContact O-N 3.1Å; A82-E119 HydrophobicContact CB-CG 4.29Å; A82-M123 HydrophobicContact CB-CE 4.17Å; A82-M123 WeakPolarHBondContact O-CE 3.26Å
83R95.1Very high94.3Very high67 Ų6742.8 Ų42.825%0.25320%0.203SC..Hα-helixtrans-68.7-44.1175.7179178.3172.6-178.28.1111S80 P81 R86 Q87S80-R83 PolarHBondContact O-N 3.13Å; S80-R83 WeakPolarHBondContact OG-CB 3.18Å; P81-R83 PolarHBondContact O-N 2.9Å; R83-R86 PolarHBondContact O-N 2.8Å; R83-Q87 HydrophobicContact CG-CG 4.38Å; R83-Q87 VanDerWaalsContact NE-NE2 3.17Å; R83-Q87 WeakPolarHBondContact O-CB 3.4Å; R83-Q87 WeakPolarHBondContact O-CG 3.33Å; R83-Q87 PolarHBondContact O-N 2.99Å
84A96.1Very high94.1Very high2 Ų243.1 Ų43.12%0.01721%0.206CC..Hα-helixtrans-59.1-48.1176.400000111I79 S80 P81 R86 Q87 L88 L110 F116I79-A84 HydrophobicContact CD1-CB 3.69Å; I79-A84 HydrophobicContact CG1-CB 4Å; S80-A84 PolarHBondContact O-N 3.37Å; P81-A84 PolarHBondContact O-N 3.21Å; A84-R86 PolarHBondContact O-N 3.41Å; A84-Q87 PolarHBondContact O-N 3.47Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 VanDerWaalsContact O-CG 3.29Å; A84-L88 WeakPolarHBondContact O-CG 3.3Å; A84-L88 PolarHBondContact O-N 3.07Å; A84-L110 HydrophobicContact CB-CD1 4.48Å; A84-F116 HydrophobicContact CB-CD2 4.26Å; A84-F116 HydrophobicContact CB-CE2 4.02Å
85A96.8Very high93.5Very high0 Ų049.1 Ų49.10%023%0.233CC..Hα-helixtrans-57.8-47.6178.300000111.6P81 L88 L89 F116 E119 F120 M123P81-A85 VanDerWaalsContact O-CB 3.31Å; P81-A85 WeakPolarHBondContact O-CB 3.21Å; P81-A85 PolarHBondContact O-N 2.8Å; A85-L88 PolarHBondContact O-N 3.21Å; A85-L89 WeakPolarHBondContact O-CB 3.43Å; A85-L89 PolarHBondContact O-N 2.99Å; A85-F116 HydrophobicContact CB-CE2 4.03Å; A85-F116 HydrophobicContact CB-CZ 4.45Å; A85-E119 HydrophobicContact CB-CB 4.24Å; A85-F120 HydrophobicContact CB-CB 4.16Å; A85-F120 HydrophobicContact CB-CD2 4.07Å; A85-M123 HydrophobicContact CB-CE 4.32Å; A85-M123 HydrophobicContact CB-SD 4.11Å
86R95.8Very high93.1Very high134 Ų13450.8 Ų50.851%0.50625%0.25SS..Hα-helixtrans-62.9-48.5178-167.4-179.5-57.5120.66.1112.5A82 R83 A84 L88 L89 D90 M123A82-R86 WeakPolarHBondContact O-CB 3.23Å; A82-R86 PolarHBondContact O-N 2.89Å; A82-R86 VanDerWaalsContact O-N 3.1Å; R83-R86 PolarHBondContact O-N 2.8Å; A84-R86 PolarHBondContact O-N 3.41Å; R86-L88 VanDerWaalsContact C-N 3.32Å; R86-L88 PolarHBondContact O-N 3.3Å; R86-L89 PolarHBondContact O-N 3.33Å; R86-D90 PolarHBondContact O-N 3.3Å; R86-M123 HydrophobicContact CB-SD 4.11Å
87Q95.1Very high92.6Very high75 Ų7552.1 Ų52.135%0.3526%0.263SS..Hα-helixtrans-61.6-40.4179.1-74.9-177.4-11.500112.1R83 A84 R91R83-Q87 HydrophobicContact CG-CG 4.38Å; R83-Q87 VanDerWaalsContact NE-NE2 3.17Å; R83-Q87 WeakPolarHBondContact O-CB 3.4Å; R83-Q87 WeakPolarHBondContact O-CG 3.33Å; R83-Q87 PolarHBondContact O-N 2.99Å; A84-Q87 PolarHBondContact O-N 3.47Å; Q87-R91 WeakPolarHBondContact O-CB 3.39Å; Q87-R91 WeakPolarHBondContact O-CG 3.45Å; Q87-R91 PolarHBondContact O-N 3.03Å
88L95.9Very high92.3Very high3 Ų358.2 Ų58.22%0.01630%0.296CS..Hα-helixtrans-67.2-43.2176.2-72.3175.6000111.2A84 A85 R86 D90 R91 I92 A103 E106 L107 L110 F116A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 VanDerWaalsContact O-CG 3.29Å; A84-L88 WeakPolarHBondContact O-CG 3.3Å; A84-L88 PolarHBondContact O-N 3.07Å; A85-L88 PolarHBondContact O-N 3.21Å; R86-L88 VanDerWaalsContact C-N 3.32Å; R86-L88 PolarHBondContact O-N 3.3Å; L88-D90 PolarHBondContact O-N 2.71Å; L88-R91 PolarHBondContact O-N 3.33Å; L88-I92 HydrophobicContact CB-CD1 4.44Å; L88-I92 VanDerWaalsContact O-CB 3.3Å; L88-I92 WeakPolarHBondContact O-CB 3.31Å; L88-I92 WeakPolarHBondContact O-CD1 3.35Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 2.86Å; L88-A103 HydrophobicContact CD2-CB 3.97Å; L88-A103 WeakPolarHBondContact CD2-O 3.5Å; L88-E106 HydrophobicContact CD1-CG 4.44Å; L88-E106 HydrophobicContact CD2-CB 4.09Å; L88-E106 HydrophobicContact CD2-CG 4.2Å; L88-L107 HydrophobicContact CD1-CB 4.33Å; L88-L107 HydrophobicContact CD1-CD1 4.29Å; L88-L110 HydrophobicContact CD1-CD1 3.89Å; L88-F116 HydrophobicContact CD1-CE2 3.96Å; L88-F116 HydrophobicContact CD1-CZ 3.72Å
89L94.4Very high92Very high21 Ų2159.4 Ų59.411%0.1131%0.306CS..Hα-helixtrans-59.4-46.2177.6-166.966.6000111.7A85 R86 I92 Q93 F120 M123 T128A85-L89 WeakPolarHBondContact O-CB 3.43Å; A85-L89 PolarHBondContact O-N 2.99Å; R86-L89 PolarHBondContact O-N 3.33Å; L89-I92 PolarHBondContact O-N 2.94Å; L89-Q93 WeakPolarHBondContact O-CG 3.29Å; L89-Q93 PolarHBondContact O-N 2.76Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; L89-F120 HydrophobicContact CB-CE2 4.36Å; L89-F120 HydrophobicContact CD1-CE2 4.15Å; L89-F120 HydrophobicContact CD1-CZ 4.2Å; L89-M123 HydrophobicContact CD2-CB 4.22Å; L89-T128 HydrophobicContact CD1-CG2 3.93Å
90D92.9Very high91.8Very high98 Ų9859.2 Ų59.252%0.52430%0.302SS..Hα-helixtrans-61.6-45.1176.7-68.2-21.6000111.7R86 L88 Q93 S94R86-D90 PolarHBondContact O-N 3.3Å; L88-D90 PolarHBondContact O-N 2.71Å; D90-Q93 PolarHBondContact O-N 3.31Å; D90-S94 PolarHBondContact O-N 2.75Å; D90-S94 VanDerWaalsContact O-N 3.11Å
91R93.3Very high91.6Very high87 Ų8760.2 Ų60.233%0.32831%0.306SS..Hα-helixtrans-67.7-37.1179.6-73.8173.664.3-164.4-3.3112.6Q87 L88 Q93 S94 A103 E106Q87-R91 WeakPolarHBondContact O-CB 3.39Å; Q87-R91 WeakPolarHBondContact O-CG 3.45Å; Q87-R91 PolarHBondContact O-N 3.03Å; L88-R91 PolarHBondContact O-N 3.33Å; R91-Q93 VanDerWaalsContact C-N 3.28Å; R91-Q93 PolarHBondContact O-N 2.84Å; R91-S94 VanDerWaalsContact O-CB 3.26Å; R91-S94 WeakPolarHBondContact O-CB 3.37Å; R91-S94 PolarHBondContact O-N 3.33Å; R91-S94 PolarHBondContact O-OG 2.9Å; R91-A103 HydrophobicContact CB-CB 3.67Å; R91-E106 IonicContact NH1-OE2 3.32Å; R91-E106 PolarHBondContact NH1-OE2 2.96Å
92I91.8Very high91.5Very high1 Ų164 Ų641%0.00532%0.322CS..Hα-helixtrans-65.9-35.2177.8-72165.4000110.8L88 L89 S94 R100 A103 L104 L107 L132L88-I92 HydrophobicContact CB-CD1 4.44Å; L88-I92 VanDerWaalsContact O-CB 3.3Å; L88-I92 WeakPolarHBondContact O-CB 3.31Å; L88-I92 WeakPolarHBondContact O-CD1 3.35Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 2.86Å; L89-I92 PolarHBondContact O-N 2.94Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-R100 WeakPolarHBondContact O-CD 3.11Å; I92-R100 WeakPolarHBondContact O-CG 3.36Å; I92-R100 PolarHBondContact O-NE 3.36Å; I92-A103 HydrophobicContact CG1-CB 3.89Å; I92-L104 HydrophobicContact CD1-CD2 3.87Å; I92-L104 HydrophobicContact CD1-CG 4.48Å; I92-L104 HydrophobicContact CG1-CD2 3.93Å; I92-L104 HydrophobicContact CG1-CG 4.08Å; I92-L104 HydrophobicContact CG2-CD2 4.15Å; I92-L107 HydrophobicContact CD1-CB 4.32Å; I92-L107 HydrophobicContact CD1-CD2 3.5Å; I92-L107 VanDerWaalsContact CD1-CD2 3.5Å; I92-L107 HydrophobicContact CD1-CG 4.42Å; I92-L132 HydrophobicContact CG2-CD1 3.4Å
93Q87.3Confident91.5Very high99 Ų9962.8 Ų62.846%0.46331%0.312SS..Hα-helixtrans-81.7-10.5176.5-66.1178.3-5.600113.3L89 D90 R91 T128L89-Q93 WeakPolarHBondContact O-CG 3.29Å; L89-Q93 PolarHBondContact O-N 2.76Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; D90-Q93 PolarHBondContact O-N 3.31Å; R91-Q93 VanDerWaalsContact C-N 3.28Å; R91-Q93 PolarHBondContact O-N 2.84Å; Q93-T128 HydrophobicContact CG-CG2 4.11Å
94S86.9Confident91.5Very high36 Ų3659.6 Ų59.625%0.25230%0.3SS..SBendtrans-65150.9-179.8800000113.3D90 R91 I92 G96 R100D90-S94 PolarHBondContact O-N 2.75Å; D90-S94 VanDerWaalsContact O-N 3.11Å; R91-S94 VanDerWaalsContact O-CB 3.26Å; R91-S94 WeakPolarHBondContact O-CB 3.37Å; R91-S94 PolarHBondContact O-N 3.33Å; R91-S94 PolarHBondContact O-OG 2.9Å; I92-S94 VanDerWaalsContact C-N 3.32Å; S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact O-N 2.87Å; S94-R100 PolarHBondContact O-NE 3.33Å; S94-R100 PolarHBondContact O-NH2 3.44Å
95H79.7Confident91.5Very high190 Ų19064.5 Ų64.588%0.8832%0.321SS*.SBendtrans-72.6-11.6-179.5-65.5-70.2000114.7
96G86.1Confident91.4Very high36 Ų3668.2 Ų68.237%0.37134%0.338SS..  trans-82120.6-178.700000112.2S94 R100S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact O-N 2.87Å; G96-R100 VanDerWaalsContact O-CB 3.3Å; G96-R100 WeakPolarHBondContact O-CB 3.22Å; G96-R100 PolarHBondContact O-N 3.36Å
97I86.2Confident91.5Very high123 Ų12361.9 Ų61.963%0.63131%0.314SS*.Hα-helixtrans-61.9-48-178.1-64.3174.2000111.3R100 L101 M142I97-R100 PolarHBondContact O-N 3.43Å; I97-L101 WeakPolarHBondContact O-CB 3.38Å; I97-L101 PolarHBondContact O-N 2.97Å; I97-M142 HydrophobicContact CG2-CE 3.86Å; I97-M142 WeakPolarHBondContact O-CE 3.37Å
98D88.3Confident91.5Very high129 Ų12958.8 Ų58.869%0.6930%0.302SS*.Hα-helixtrans-65.5-42.9-178.2-59.2-29.6000111.9R100 L101 E102D98-R100 VanDerWaalsContact C-N 3.28Å; D98-R100 PolarHBondContact O-N 3.41Å; D98-L101 PolarHBondContact O-N 2.98Å; D98-E102 PolarHBondContact O-N 3.44Å
99A89.2Confident91.3Very high42 Ų4264.5 Ų64.535%0.34733%0.326SS..Hα-helixtrans-62.4-38.2177.700000112A103A99-A103 VanDerWaalsContact O-CB 3.32Å; A99-A103 WeakPolarHBondContact O-CB 3.38Å; A99-A103 PolarHBondContact O-N 3.24Å; A99-A103 VanDerWaalsContact O-N 3.14Å
100R91Very high91.4Very high38 Ų3863.8 Ų63.814%0.14332%0.323CS..Hα-helixtrans-69.5-42.4175.7-175.1-178.1-58.9-163.80.5111.7I92 S94 G96 I97 D98 A103 L104 H138 M142I92-R100 WeakPolarHBondContact O-CD 3.11Å; I92-R100 WeakPolarHBondContact O-CG 3.36Å; I92-R100 PolarHBondContact O-NE 3.36Å; S94-R100 PolarHBondContact O-NE 3.33Å; S94-R100 PolarHBondContact O-NH2 3.44Å; G96-R100 VanDerWaalsContact O-CB 3.3Å; G96-R100 WeakPolarHBondContact O-CB 3.22Å; G96-R100 PolarHBondContact O-N 3.36Å; I97-R100 PolarHBondContact O-N 3.43Å; D98-R100 VanDerWaalsContact C-N 3.28Å; D98-R100 PolarHBondContact O-N 3.41Å; R100-A103 PolarHBondContact O-N 2.91Å; R100-L104 HydrophobicContact CG-CD1 3.96Å; R100-L104 WeakPolarHBondContact O-CB 3.44Å; R100-L104 WeakPolarHBondContact O-CG 3.26Å; R100-L104 PolarHBondContact O-N 3.27Å; R100-H138 PolarHBondContact NH1-CE1 3.36Å; R100-H138 PolarHBondContact NH1-NE2 2.85Å; R100-M142 HydrophobicContact CB-CE 4.16Å; R100-M142 HydrophobicContact CG-CE 4.16Å; R100-M142 HydrophobicContact CG-SD 4.09Å
101L92Very high91.5Very high38 Ų3859.1 Ų59.120%0.19930%0.298CS..Hα-helixtrans-60.8-50.7178.5179.361.7000111.2I97 D98 A103 L104 K105 E141 M142 F145I97-L101 WeakPolarHBondContact O-CB 3.38Å; I97-L101 PolarHBondContact O-N 2.97Å; D98-L101 PolarHBondContact O-N 2.98Å; L101-A103 VanDerWaalsContact C-N 3.31Å; L101-A103 PolarHBondContact O-N 3.03Å; L101-L104 PolarHBondContact O-N 3.21Å; L101-K105 WeakPolarHBondContact O-CB 3.5Å; L101-K105 PolarHBondContact O-N 3.17Å; L101-E141 HydrophobicContact CD1-CB 4.17Å; L101-M142 HydrophobicContact CB-CE 3.89Å; L101-M142 HydrophobicContact CD1-CB 4.02Å; L101-F145 HydrophobicContact CD1-CD2 4.07Å; L101-F145 HydrophobicContact CD1-CE2 4.23Å
102E93.8Very high91.4Very high99 Ų9956.6 Ų56.646%0.46330%0.296SS..Hα-helixtrans-62.9-37.8177.9-73-58.3140.100112.1D98 K105 E106D98-E102 PolarHBondContact O-N 3.44Å; E102-K105 PolarHBondContact O-N 3.37Å; E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.13Å
103A95Very high91.4Very high0 Ų056.8 Ų56.80%030%0.296CS..Hα-helixtrans-65.5-40.7175.600000112.3L88 R91 I92 A99 R100 L101 E106 L107L88-A103 HydrophobicContact CD2-CB 3.97Å; L88-A103 WeakPolarHBondContact CD2-O 3.5Å; R91-A103 HydrophobicContact CB-CB 3.67Å; I92-A103 HydrophobicContact CG1-CB 3.89Å; A99-A103 VanDerWaalsContact O-CB 3.32Å; A99-A103 WeakPolarHBondContact O-CB 3.38Å; A99-A103 PolarHBondContact O-N 3.24Å; A99-A103 VanDerWaalsContact O-N 3.14Å; R100-A103 PolarHBondContact O-N 2.91Å; L101-A103 VanDerWaalsContact C-N 3.31Å; L101-A103 PolarHBondContact O-N 3.03Å; A103-E106 PolarHBondContact O-N 3.11Å; A103-L107 VanDerWaalsContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CB 3.25Å; A103-L107 PolarHBondContact O-N 3.25Å
104L95.3Very high91.6Very high0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-69.1-36.9177.6-74.3166.5000112.2I92 R100 L101 L107 A108 L129 M142 F145I92-L104 HydrophobicContact CD1-CD2 3.87Å; I92-L104 HydrophobicContact CD1-CG 4.48Å; I92-L104 HydrophobicContact CG1-CD2 3.93Å; I92-L104 HydrophobicContact CG1-CG 4.08Å; I92-L104 HydrophobicContact CG2-CD2 4.15Å; R100-L104 HydrophobicContact CG-CD1 3.96Å; R100-L104 WeakPolarHBondContact O-CB 3.44Å; R100-L104 WeakPolarHBondContact O-CG 3.26Å; R100-L104 PolarHBondContact O-N 3.27Å; L101-L104 PolarHBondContact O-N 3.21Å; L104-L107 HydrophobicContact CD2-CD2 4.33Å; L104-L107 PolarHBondContact O-N 3.21Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 2.96Å; L104-L129 HydrophobicContact CD2-CD2 4.1Å; L104-M142 HydrophobicContact CD1-CG 3.3Å; L104-M142 HydrophobicContact CD1-SD 4.15Å; L104-F145 HydrophobicContact CB-CB 4.01Å
105K95.3Very high91.9Very high106 Ų10654.7 Ų54.746%0.46129%0.29SS..Hα-helixtrans-61.5-46.3173.3-178.9178.3179.3-177.90111.6L101 E102 A108 K109 F145L101-K105 WeakPolarHBondContact O-CB 3.5Å; L101-K105 PolarHBondContact O-N 3.17Å; E102-K105 PolarHBondContact O-N 3.37Å; K105-A108 PolarHBondContact O-N 3.21Å; K105-K109 PolarHBondContact O-N 2.84Å; K105-F145 HydrophobicContact CB-CD1 4.4Å; K105-F145 HydrophobicContact CB-CD2 3.95Å; K105-F145 HydrophobicContact CB-CE1 4.31Å; K105-F145 HydrophobicContact CB-CE2 3.86Å; K105-F145 HydrophobicContact CB-CG 4.24Å; K105-F145 HydrophobicContact CB-CZ 4.06Å; K105-F145 HydrophobicContact CD-CE2 4.28Å; K105-F145 HydrophobicContact CD-CZ 4.08Å; K105-F145 HydrophobicContact CG-CD1 4.48Å; K105-F145 HydrophobicContact CG-CE1 3.98Å; K105-F145 HydrophobicContact CG-CE2 4.04Å; K105-F145 HydrophobicContact CG-CZ 3.74Å
106E95.3Very high92.7Very high78 Ų7845.6 Ų45.636%0.36425%0.248SC..Hα-helixtrans-63.7-43174.9-171.7174.4-175.300111.2L88 R91 E102 A103 A108 K109 L110L88-E106 HydrophobicContact CD1-CG 4.44Å; L88-E106 HydrophobicContact CD2-CB 4.09Å; L88-E106 HydrophobicContact CD2-CG 4.2Å; R91-E106 IonicContact NH1-OE2 3.32Å; R91-E106 PolarHBondContact NH1-OE2 2.96Å; E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.13Å; A103-E106 PolarHBondContact O-N 3.11Å; E106-A108 PolarHBondContact O-N 3.36Å; E106-K109 PolarHBondContact O-N 3.29Å; E106-L110 HydrophobicContact CG-CD1 4.24Å; E106-L110 HydrophobicContact CG-CG 4.44Å; E106-L110 WeakPolarHBondContact O-CG 3.39Å; E106-L110 PolarHBondContact O-N 3.25Å
107L96.9Very high93.2Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-59.8-44.7176.8179.665.8000112L88 I92 A103 L104 K109 L110 S111 F116 F120 L129 A149L88-L107 HydrophobicContact CD1-CB 4.33Å; L88-L107 HydrophobicContact CD1-CD1 4.29Å; I92-L107 HydrophobicContact CD1-CB 4.32Å; I92-L107 HydrophobicContact CD1-CD2 3.5Å; I92-L107 VanDerWaalsContact CD1-CD2 3.5Å; I92-L107 HydrophobicContact CD1-CG 4.42Å; A103-L107 VanDerWaalsContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CB 3.25Å; A103-L107 PolarHBondContact O-N 3.25Å; L104-L107 HydrophobicContact CD2-CD2 4.33Å; L104-L107 PolarHBondContact O-N 3.21Å; L107-K109 PolarHBondContact O-N 2.8Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-S111 VanDerWaalsContact O-CB 3.29Å; L107-S111 WeakPolarHBondContact O-CB 3.16Å; L107-S111 PolarHBondContact O-N 2.99Å; L107-S111 PolarHBondContact O-OG 3.07Å; L107-F116 HydrophobicContact CD1-CE1 3.48Å; L107-F116 VanDerWaalsContact CD1-CE1 3.48Å; L107-F116 HydrophobicContact CD1-CZ 3.56Å; L107-F120 HydrophobicContact CD1-CD1 4.26Å; L107-F120 HydrophobicContact CD1-CD2 4.01Å; L107-F120 HydrophobicContact CD1-CE1 4.04Å; L107-F120 HydrophobicContact CD1-CE2 3.8Å; L107-F120 HydrophobicContact CD1-CG 4.24Å; L107-F120 HydrophobicContact CD1-CZ 3.82Å; L107-F120 HydrophobicContact CD2-CE1 4.03Å; L107-F120 HydrophobicContact CD2-CE2 4.29Å; L107-F120 HydrophobicContact CD2-CZ 3.65Å; L107-F120 HydrophobicContact CG-CZ 4.43Å; L107-L129 HydrophobicContact CD2-CD1 4.13Å; L107-L129 HydrophobicContact CD2-CD2 3.75Å; L107-L129 HydrophobicContact CD2-CG 4.42Å; L107-A149 HydrophobicContact CD2-CB 3.9Å; L107-A149 HydrophobicContact CG-CB 3.79Å
108A94.6Very high93.6Very high11 Ų1140.6 Ų40.69%0.09122%0.216CC..Hα-helixtrans-57.7-38.5178.200000111.9L104 K105 E106 F145 T148 A149L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 2.96Å; K105-A108 PolarHBondContact O-N 3.21Å; E106-A108 PolarHBondContact O-N 3.36Å; A108-F145 HydrophobicContact CB-CB 4.23Å; A108-F145 HydrophobicContact CB-CD1 3.97Å; A108-T148 HydrophobicContact CB-CG2 4.13Å; A108-A149 HydrophobicContact CB-CB 4.44Å
109K92.9Very high94Very high123 Ų12337.5 Ų37.554%0.53520%0.197SC..Hα-helixtrans-69.4-46.8174.8-177.8-179.8174-177.50112.3K105 E106 L107 S111K105-K109 PolarHBondContact O-N 2.84Å; E106-K109 PolarHBondContact O-N 3.29Å; L107-K109 PolarHBondContact O-N 2.8Å; K109-S111 VanDerWaalsContact C-N 3.33Å; K109-S111 PolarHBondContact O-N 3.22Å
110L95.2Very high94.4Very high5 Ų535.6 Ų35.63%0.02618%0.181CC..Hα-helixtrans-74-23.7-176.2-61.4-173.2000113.3A84 L88 E106 L107 A112 D113 F116A84-L110 HydrophobicContact CB-CD1 4.48Å; L88-L110 HydrophobicContact CD1-CD1 3.89Å; E106-L110 HydrophobicContact CG-CD1 4.24Å; E106-L110 HydrophobicContact CG-CG 4.44Å; E106-L110 WeakPolarHBondContact O-CG 3.39Å; E106-L110 PolarHBondContact O-N 3.25Å; L107-L110 PolarHBondContact O-N 2.88Å; L110-A112 PolarHBondContact O-N 3.11Å; L110-D113 WeakPolarHBondContact O-CB 3.4Å; L110-D113 PolarHBondContact O-N 2.83Å; L110-F116 VanDerWaalsContact C-CD1 3.48Å; L110-F116 HydrophobicContact CB-CD1 3.59Å; L110-F116 HydrophobicContact CB-CD2 4.02Å; L110-F116 HydrophobicContact CB-CE1 3.72Å; L110-F116 HydrophobicContact CB-CE2 4.1Å; L110-F116 HydrophobicContact CB-CG 3.75Å; L110-F116 HydrophobicContact CB-CZ 3.98Å; L110-F116 HydrophobicContact CD1-CD2 3.96Å; L110-F116 HydrophobicContact CD1-CE2 3.78Å; L110-F116 HydrophobicContact CD1-CZ 4.24Å; L110-F116 WeakPolarHBondContact O-CD1 3.3Å
111S95.5Very high94.6Very high0 Ų034.8 Ų34.80%018%0.18CC..THydrogen-bonded Turntrans-63.4-22.5-179.5-64.50000113.4L107 K109 D113 H156L107-S111 VanDerWaalsContact O-CB 3.29Å; L107-S111 WeakPolarHBondContact O-CB 3.16Å; L107-S111 PolarHBondContact O-N 2.99Å; L107-S111 PolarHBondContact O-OG 3.07Å; K109-S111 VanDerWaalsContact C-N 3.33Å; K109-S111 PolarHBondContact O-N 3.22Å; S111-D113 PolarHBondContact O-N 3.11Å; S111-H156 PolarHBondContact O-NE2 3.37Å
112A90.6Very high94.7Very high35 Ų3538.4 Ų38.429%0.28920%0.199SC..THydrogen-bonded Turntrans-69.8-19.6173.900000113L110 H156L110-A112 PolarHBondContact O-N 3.11Å; A112-H156 PolarHBondContact O-CE1 2.64Å
113D92.7Very high94.8Very high4 Ų436 Ų362%0.02119%0.189CC..SBendtrans-85.1122.5179-175.1-48.3000111L59 Y60 L110 S111 T115 F116 A117L59-D113 WeakPolarHBondContact CA-OD2 3.46Å; L59-D113 HydrophobicContact CD2-CB 3.85Å; Y60-D113 VanDerWaalsContact CD2-OD2 3.3Å; Y60-D113 WeakPolarHBondContact CD2-OD2 3.4Å; Y60-D113 PolarHBondContact N-OD2 3.2Å; L110-D113 WeakPolarHBondContact O-CB 3.4Å; L110-D113 PolarHBondContact O-N 2.83Å; S111-D113 PolarHBondContact O-N 3.11Å; D113-T115 VanDerWaalsContact C-N 3.3Å; D113-T115 PolarHBondContact O-N 3.28Å; D113-T115 WeakPolarHBondContact OD1-CA 3.41Å; D113-T115 WeakPolarHBondContact OD1-CB 3.36Å; D113-T115 PolarHBondContact OD1-N 3.46Å; D113-T115 PolarHBondContact OD1-OG1 2.74Å; D113-F116 HydrophobicContact CB-CB 4.14Å; D113-F116 PolarHBondContact O-N 3.46Å; D113-F116 PolarHBondContact OD1-N 3.21Å; D113-A117 VanDerWaalsContact O-CB 3.26Å; D113-A117 WeakPolarHBondContact O-CB 3.34Å; D113-A117 PolarHBondContact O-N 3.46Å
114P90.6Very high94.7Very high55 Ų5543.1 Ų43.136%0.35722%0.222SC..Hα-helixtrans-64.2-31.8-177.326-34.1000113.8T118 H156P114-T118 WeakPolarHBondContact O-CB 3.49Å; P114-T118 PolarHBondContact O-N 3.27Å; P114-T118 PolarHBondContact O-OG1 3.04Å; P114-H156 WeakPolarHBondContact CA-CE1 3.5Å; P114-H156 WeakPolarHBondContact CA-ND1 3.47Å
115T93.7Very high94.7Very high36 Ų3643.1 Ų43.122%0.22122%0.222CC..Hα-helixtrans-68.6-47.8179.3-47.40000110.1T62 P81 D113 E119T62-T115 HydrophobicContact CG2-CG2 3.63Å; T62-T115 WeakPolarHBondContact CG2-OG1 3.43Å; P81-T115 HydrophobicContact CB-CG2 4.36Å; P81-T115 HydrophobicContact CG-CG2 3.91Å; D113-T115 VanDerWaalsContact C-N 3.3Å; D113-T115 PolarHBondContact O-N 3.28Å; D113-T115 WeakPolarHBondContact OD1-CA 3.41Å; D113-T115 WeakPolarHBondContact OD1-CB 3.36Å; D113-T115 PolarHBondContact OD1-N 3.46Å; D113-T115 PolarHBondContact OD1-OG1 2.74Å; T115-E119 PolarHBondContact O-N 3.32Å
116F96.9Very high94.6Very high0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-66.1-44.1175.9173.6-89.1000111.6Y60 A84 A85 L88 L107 L110 D113 T118 E119 F120Y60-F116 HydrophobicContact CD2-CB 4.21Å; Y60-F116 HydrophobicContact CE2-CB 4Å; A84-F116 HydrophobicContact CB-CD2 4.26Å; A84-F116 HydrophobicContact CB-CE2 4.02Å; A85-F116 HydrophobicContact CB-CE2 4.03Å; A85-F116 HydrophobicContact CB-CZ 4.45Å; L88-F116 HydrophobicContact CD1-CE2 3.96Å; L88-F116 HydrophobicContact CD1-CZ 3.72Å; L107-F116 HydrophobicContact CD1-CE1 3.48Å; L107-F116 VanDerWaalsContact CD1-CE1 3.48Å; L107-F116 HydrophobicContact CD1-CZ 3.56Å; L110-F116 VanDerWaalsContact C-CD1 3.48Å; L110-F116 HydrophobicContact CB-CD1 3.59Å; L110-F116 HydrophobicContact CB-CD2 4.02Å; L110-F116 HydrophobicContact CB-CE1 3.72Å; L110-F116 HydrophobicContact CB-CE2 4.1Å; L110-F116 HydrophobicContact CB-CG 3.75Å; L110-F116 HydrophobicContact CB-CZ 3.98Å; L110-F116 HydrophobicContact CD1-CD2 3.96Å; L110-F116 HydrophobicContact CD1-CE2 3.78Å; L110-F116 HydrophobicContact CD1-CZ 4.24Å; L110-F116 WeakPolarHBondContact O-CD1 3.3Å; D113-F116 HydrophobicContact CB-CB 4.14Å; D113-F116 PolarHBondContact O-N 3.46Å; D113-F116 PolarHBondContact OD1-N 3.21Å; F116-T118 VanDerWaalsContact C-N 3.27Å; F116-T118 PolarHBondContact O-N 3.17Å; F116-E119 PolarHBondContact O-N 2.68Å; F116-F120 HydrophobicContact CD1-CB 4.49Å; F116-F120 HydrophobicContact CE1-CB 3.96Å; F116-F120 HydrophobicContact CE1-CD2 4.41Å; F116-F120 HydrophobicContact CE1-CG 4.21Å; F116-F120 HydrophobicContact CZ-CB 4.17Å; F116-F120 HydrophobicContact CZ-CD2 4.04Å; F116-F120 HydrophobicContact CZ-CG 4.28Å; F116-F120 WeakPolarHBondContact O-CB 3.08Å; F116-F120 PolarHBondContact O-N 2.66Å
117A96Very high94.5Very high0 Ų036.9 Ų36.90%020%0.204CC..Hα-helixtrans-55.7-44.7179.200000111.4D113 E119 F120 I121 L153D113-A117 VanDerWaalsContact O-CB 3.26Å; D113-A117 WeakPolarHBondContact O-CB 3.34Å; D113-A117 PolarHBondContact O-N 3.46Å; A117-E119 PolarHBondContact O-N 3.19Å; A117-F120 PolarHBondContact O-N 3.02Å; A117-I121 VanDerWaalsContact O-CB 3.29Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.46Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.4Å; A117-L153 HydrophobicContact CB-CD2 3.6Å
118T94.9Very high94.3Very high53 Ų5337.3 Ų37.333%0.32521%0.207SC..Hα-helixtrans-58.3-49.2177.8-58.10000111.9P114 F116 I121 N122P114-T118 WeakPolarHBondContact O-CB 3.49Å; P114-T118 PolarHBondContact O-N 3.27Å; P114-T118 PolarHBondContact O-OG1 3.04Å; F116-T118 VanDerWaalsContact C-N 3.27Å; F116-T118 PolarHBondContact O-N 3.17Å; T118-I121 PolarHBondContact O-N 3.36Å; T118-N122 WeakPolarHBondContact O-CB 3.35Å; T118-N122 PolarHBondContact O-N 2.78Å; T118-N122 PolarHBondContact O-ND2 3.46Å
119E96.5Very high94.3Very high65 Ų6536.8 Ų36.830%0.30420%0.202SC..Hα-helixtrans-63.3-43.8178.2-71.1-61.6151.600112.3P81 A82 A85 T115 F116 A117 I121 N122 M123P81-E119 HydrophobicContact CB-CG 4Å; A82-E119 HydrophobicContact CB-CG 4.29Å; A85-E119 HydrophobicContact CB-CB 4.24Å; T115-E119 PolarHBondContact O-N 3.32Å; F116-E119 PolarHBondContact O-N 2.68Å; A117-E119 PolarHBondContact O-N 3.19Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-I121 PolarHBondContact O-N 3.4Å; E119-N122 PolarHBondContact O-N 2.79Å; E119-M123 WeakPolarHBondContact O-CG 3.18Å; E119-M123 PolarHBondContact O-N 3Å
120F97.3Very high94.4Very high1 Ų131.4 Ų31.40%0.00418%0.181CC..Hα-helixtrans-66.3-37.4179.9-169.1-101.2000112.3A85 L89 L107 F116 A117 M123 G125 L129 L153A85-F120 HydrophobicContact CB-CB 4.16Å; A85-F120 HydrophobicContact CB-CD2 4.07Å; L89-F120 HydrophobicContact CB-CE2 4.36Å; L89-F120 HydrophobicContact CD1-CE2 4.15Å; L89-F120 HydrophobicContact CD1-CZ 4.2Å; L107-F120 HydrophobicContact CD1-CD1 4.26Å; L107-F120 HydrophobicContact CD1-CD2 4.01Å; L107-F120 HydrophobicContact CD1-CE1 4.04Å; L107-F120 HydrophobicContact CD1-CE2 3.8Å; L107-F120 HydrophobicContact CD1-CG 4.24Å; L107-F120 HydrophobicContact CD1-CZ 3.82Å; L107-F120 HydrophobicContact CD2-CE1 4.03Å; L107-F120 HydrophobicContact CD2-CE2 4.29Å; L107-F120 HydrophobicContact CD2-CZ 3.65Å; L107-F120 HydrophobicContact CG-CZ 4.43Å; F116-F120 HydrophobicContact CD1-CB 4.49Å; F116-F120 HydrophobicContact CE1-CB 3.96Å; F116-F120 HydrophobicContact CE1-CD2 4.41Å; F116-F120 HydrophobicContact CE1-CG 4.21Å; F116-F120 HydrophobicContact CZ-CB 4.17Å; F116-F120 HydrophobicContact CZ-CD2 4.04Å; F116-F120 HydrophobicContact CZ-CG 4.28Å; F116-F120 WeakPolarHBondContact O-CB 3.08Å; F116-F120 PolarHBondContact O-N 2.66Å; A117-F120 PolarHBondContact O-N 3.02Å; F120-M123 PolarHBondContact O-N 3.32Å; F120-G125 WeakPolarHBondContact O-CA 3.21Å; F120-G125 PolarHBondContact O-N 3.26Å; F120-L129 HydrophobicContact CE1-CD1 4.22Å; F120-L129 HydrophobicContact CE1-CG 4.35Å; F120-L153 HydrophobicContact CD1-CD1 3.58Å; F120-L153 HydrophobicContact CD1-CD2 4.22Å; F120-L153 HydrophobicContact CE1-CD1 3.75Å
121I95.1Very high94.2Very high22 Ų2238.2 Ų38.211%0.11321%0.207CC..Hα-helixtrans-65.7-44.5175.1-72.2166.8000111A117 T118 E119 M123 E124 I126 L153 I158 V159A117-I121 VanDerWaalsContact O-CB 3.29Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.46Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.4Å; T118-I121 PolarHBondContact O-N 3.36Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-I121 PolarHBondContact O-N 3.4Å; I121-M123 PolarHBondContact O-N 3Å; I121-M123 VanDerWaalsContact O-N 3.16Å; I121-E124 PolarHBondContact O-N 3.2Å; I121-I126 HydrophobicContact CD1-CD1 4.05Å; I121-I126 HydrophobicContact CG1-CD1 3.7Å; I121-I126 HydrophobicContact CG1-CG1 4.01Å; I121-L153 HydrophobicContact CD1-CD2 4.48Å; I121-L153 HydrophobicContact CG1-CD2 4.4Å; I121-I158 HydrophobicContact CD1-CB 3.96Å; I121-I158 HydrophobicContact CD1-CD1 3.83Å; I121-I158 HydrophobicContact CD1-CG1 4.48Å; I121-I158 HydrophobicContact CD1-CG2 4.12Å; I121-I158 HydrophobicContact CG2-CG2 4.18Å; I121-V159 HydrophobicContact CD1-CG2 4.27Å; I121-V159 HydrophobicContact CG1-CG2 4.46Å; I121-V159 HydrophobicContact CG2-CG2 3.44Å; I121-V159 VanDerWaalsContact CG2-CG2 3.44Å
122N95.3Very high94Very high113 Ų11339.2 Ų39.260%0.60421%0.212SC*.Hα-helixtrans-60.6-23.9177.5-72.4-21.2000112.9T118 E119 E124T118-N122 WeakPolarHBondContact O-CB 3.35Å; T118-N122 PolarHBondContact O-N 2.78Å; T118-N122 PolarHBondContact O-ND2 3.46Å; E119-N122 PolarHBondContact O-N 2.79Å; N122-E124 VanDerWaalsContact C-N 3.31Å
123M95.6Very high94.2Very high50 Ų5037.6 Ų37.625%0.24620%0.198CC..THydrogen-bonded Turntrans-91.920.6174.7-60.5-175.3-164.500113.4A82 A85 R86 L89 E119 F120 I121 G125A82-M123 HydrophobicContact CB-CE 4.17Å; A82-M123 WeakPolarHBondContact O-CE 3.26Å; A85-M123 HydrophobicContact CB-CE 4.32Å; A85-M123 HydrophobicContact CB-SD 4.11Å; R86-M123 HydrophobicContact CB-SD 4.11Å; L89-M123 HydrophobicContact CD2-CB 4.22Å; E119-M123 WeakPolarHBondContact O-CG 3.18Å; E119-M123 PolarHBondContact O-N 3Å; F120-M123 PolarHBondContact O-N 3.32Å; I121-M123 PolarHBondContact O-N 3Å; I121-M123 VanDerWaalsContact O-N 3.16Å; M123-G125 PolarHBondContact O-N 3.37Å
124E92.9Very high94.2Very high149 Ų14940.5 Ų40.570%0.69621%0.212SC*.THydrogen-bonded Turntrans57.428.9-177.4-56.8-175175.200113.9I121 N122 I126 G127 T128I121-E124 PolarHBondContact O-N 3.2Å; N122-E124 VanDerWaalsContact C-N 3.31Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 2.84Å; E124-G127 PolarHBondContact O-N 2.97Å; E124-T128 PolarHBondContact O-N 3.49Å
125G94.1Very high94Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-60.4-38.1-177.100000113.6F120 M123 G127 T128 L129F120-G125 WeakPolarHBondContact O-CA 3.21Å; F120-G125 PolarHBondContact O-N 3.26Å; M123-G125 PolarHBondContact O-N 3.37Å; G125-G127 PolarHBondContact O-N 2.79Å; G125-T128 WeakPolarHBondContact O-CB 3.43Å; G125-T128 PolarHBondContact O-N 3.43Å; G125-T128 VanDerWaalsContact O-N 3.14Å; G125-L129 PolarHBondContact O-N 3.49Å
126I93.4Very high93Very high16 Ų1640.1 Ų40.18%0.08222%0.215CC..Hα-helixtrans-61-43.8176.1-66.6-178.4000111.2I121 E124 T128 L129 A130 F150 L153 M154 V159I121-I126 HydrophobicContact CD1-CD1 4.05Å; I121-I126 HydrophobicContact CG1-CD1 3.7Å; I121-I126 HydrophobicContact CG1-CG1 4.01Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 2.84Å; I126-T128 PolarHBondContact O-N 3.17Å; I126-L129 PolarHBondContact O-N 3.39Å; I126-A130 WeakPolarHBondContact O-CB 3.28Å; I126-A130 PolarHBondContact O-N 2.58Å; I126-F150 HydrophobicContact CG2-CD2 4.3Å; I126-F150 HydrophobicContact CG2-CE2 3.86Å; I126-L153 HydrophobicContact CD1-CB 4.3Å; I126-L153 HydrophobicContact CG1-CB 4.3Å; I126-L153 HydrophobicContact CG1-CD1 4.21Å; I126-M154 HydrophobicContact CD1-SD 3.81Å; I126-M154 HydrophobicContact CG2-SD 4.27Å; I126-V159 HydrophobicContact CD1-CB 4.05Å; I126-V159 HydrophobicContact CD1-CG1 4.38Å; I126-V159 HydrophobicContact CD1-CG2 3.81Å
127G93.5Very high91.9Very high36 Ų3644.4 Ų44.437%0.37124%0.242SC..Hα-helixtrans-63.8-31.6177.200000112.4E124 G125 R131E124-G127 PolarHBondContact O-N 2.97Å; G125-G127 PolarHBondContact O-N 2.79Å; G127-R131 WeakPolarHBondContact O-CG 3.48Å; G127-R131 PolarHBondContact O-N 3.15Å; G127-R131 VanDerWaalsContact O-N 3.13Å; G127-R131 PolarHBondContact O-NE 3.21Å
128T93.3Very high90.9Very high9 Ų945.4 Ų45.46%0.05525%0.246CC..Hα-helixtrans-69-45.4172.7-61.20000111.8L89 Q93 E124 G125 I126 R131 L132L89-T128 HydrophobicContact CD1-CG2 3.93Å; Q93-T128 HydrophobicContact CG-CG2 4.11Å; E124-T128 PolarHBondContact O-N 3.49Å; G125-T128 WeakPolarHBondContact O-CB 3.43Å; G125-T128 PolarHBondContact O-N 3.43Å; G125-T128 VanDerWaalsContact O-N 3.14Å; I126-T128 PolarHBondContact O-N 3.17Å; T128-R131 PolarHBondContact O-N 3.22Å; T128-R131 PolarHBondContact OG1-NH2 2.65Å; T128-L132 HydrophobicContact CG2-CD1 4.49Å; T128-L132 WeakPolarHBondContact O-CG 3.15Å; T128-L132 PolarHBondContact O-N 3.03Å; T128-L132 VanDerWaalsContact O-N 3.1Å
129L94.8Very high90.1Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-63.3-42.1175.5-62.4-176.9000112.2L104 L107 F120 G125 I126 R131 L132 V133 T146 A149 F150 L153L104-L129 HydrophobicContact CD2-CD2 4.1Å; L107-L129 HydrophobicContact CD2-CD1 4.13Å; L107-L129 HydrophobicContact CD2-CD2 3.75Å; L107-L129 HydrophobicContact CD2-CG 4.42Å; F120-L129 HydrophobicContact CE1-CD1 4.22Å; F120-L129 HydrophobicContact CE1-CG 4.35Å; G125-L129 PolarHBondContact O-N 3.49Å; I126-L129 PolarHBondContact O-N 3.39Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.12Å; L129-L132 HydrophobicContact CD2-CD1 4.31Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.45Å; L129-L132 VanDerWaalsContact O-N 3.16Å; L129-V133 WeakPolarHBondContact O-CG2 3.36Å; L129-V133 PolarHBondContact O-N 3.16Å; L129-T146 HydrophobicContact CB-CG2 4.3Å; L129-T146 HydrophobicContact CD2-CG2 4.01Å; L129-A149 HydrophobicContact CD1-CB 4.01Å; L129-F150 HydrophobicContact CB-CD2 4.35Å; L129-F150 HydrophobicContact CD1-CB 4.18Å; L129-L153 HydrophobicContact CD1-CD1 3.74Å
130A94.1Very high89.6Confident11 Ų1148.4 Ų48.49%0.09126%0.263CS..Hα-helixtrans-58.3-45.8176.400000111.4I126 L132 V133 E134 F168I126-A130 WeakPolarHBondContact O-CB 3.28Å; I126-A130 PolarHBondContact O-N 2.58Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3Å; A130-V133 PolarHBondContact O-N 3.22Å; A130-E134 WeakPolarHBondContact O-CB 3.42Å; A130-E134 VanDerWaalsContact O-CG 3.28Å; A130-E134 WeakPolarHBondContact O-CG 3.34Å; A130-E134 PolarHBondContact O-N 2.98Å; A130-F168 HydrophobicContact CB-CD2 3.91Å; A130-F168 HydrophobicContact CB-CE2 4.28Å
131R92.2Very high89.2Confident148 Ų14854.8 Ų54.856%0.55829%0.293SS*.Hα-helixtrans-62.3-36.2175.7-75.1-177.1-66.6-169.70.5113.5G127 T128 L129 V133 E134 S135G127-R131 WeakPolarHBondContact O-CG 3.48Å; G127-R131 PolarHBondContact O-N 3.15Å; G127-R131 VanDerWaalsContact O-N 3.13Å; G127-R131 PolarHBondContact O-NE 3.21Å; T128-R131 PolarHBondContact O-N 3.22Å; T128-R131 PolarHBondContact OG1-NH2 2.65Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.12Å; R131-V133 VanDerWaalsContact C-N 3.33Å; R131-E134 PolarHBondContact O-N 3.14Å; R131-S135 WeakPolarHBondContact O-CB 3.5Å; R131-S135 PolarHBondContact O-N 3.45Å
132L91.5Very high89.1Confident21 Ų2154.5 Ų54.511%0.1129%0.291CS..Hα-helixtrans-67.5-34.3176.4-70.8169000112.5I92 T128 L129 A130 S135 T146I92-L132 HydrophobicContact CG2-CD1 3.4Å; T128-L132 HydrophobicContact CG2-CD1 4.49Å; T128-L132 WeakPolarHBondContact O-CG 3.15Å; T128-L132 PolarHBondContact O-N 3.03Å; T128-L132 VanDerWaalsContact O-N 3.1Å; L129-L132 HydrophobicContact CD2-CD1 4.31Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.45Å; L129-L132 VanDerWaalsContact O-N 3.16Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3Å; L132-S135 PolarHBondContact O-OG 3.4Å; L132-S135 VanDerWaalsContact O-OG 3.11Å; L132-T146 HydrophobicContact CB-CG2 4.41Å
133V93.4Very high89Confident0 Ų049.3 Ų49.30%026%0.263CS..Hα-helixtrans-70.7-49.3172.7174.40000109.8L129 A130 R131 S135 G136 L143 T146 L147 F168 Q171 I172 Y175L129-V133 WeakPolarHBondContact O-CG2 3.36Å; L129-V133 PolarHBondContact O-N 3.16Å; A130-V133 PolarHBondContact O-N 3.22Å; R131-V133 VanDerWaalsContact C-N 3.33Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 2.83Å; V133-G136 PolarHBondContact O-N 3.34Å; V133-G136 VanDerWaalsContact O-N 3.16Å; V133-L143 HydrophobicContact CG2-CD1 4.17Å; V133-T146 HydrophobicContact CG2-CG2 3.94Å; V133-L147 HydrophobicContact CG1-CD2 4.46Å; V133-L147 HydrophobicContact CG2-CD2 3.8Å; V133-F168 HydrophobicContact CB-CD2 3.93Å; V133-F168 HydrophobicContact CB-CE2 3.64Å; V133-F168 HydrophobicContact CG1-CD2 3.95Å; V133-F168 HydrophobicContact CG1-CE2 3.75Å; V133-F168 HydrophobicContact CG1-CZ 4.49Å; V133-F168 HydrophobicContact CG2-CE2 3.79Å; V133-Q171 HydrophobicContact CG1-CB 4.38Å; V133-Q171 HydrophobicContact CG1-CG 3.95Å; V133-Q171 WeakPolarHBondContact O-CG 3.45Å; V133-I172 HydrophobicContact CG1-CD1 3.82Å; V133-Y175 HydrophobicContact CG1-CE2 4.14Å
134E92.6Very high88.9Confident65 Ų6547.4 Ų47.430%0.30426%0.256SS..Hα-helixtrans-62.8-30.9-178.1-72.5177.8-148.400113.8A130 R131 G136 S165 S167 F168A130-E134 WeakPolarHBondContact O-CB 3.42Å; A130-E134 VanDerWaalsContact O-CG 3.28Å; A130-E134 WeakPolarHBondContact O-CG 3.34Å; A130-E134 PolarHBondContact O-N 2.98Å; R131-E134 PolarHBondContact O-N 3.14Å; E134-G136 PolarHBondContact O-N 3.46Å; E134-S165 PolarHBondContact OE1-OG 2.98Å; E134-S167 PolarHBondContact OE1-OG 3.2Å; E134-S167 WeakPolarHBondContact OE2-CB 3.43Å; E134-S167 PolarHBondContact OE2-OG 3.44Å; E134-F168 HydrophobicContact CG-CB 4.05Å; E134-F168 HydrophobicContact CG-CD2 4.45Å
135S86.3Confident89Confident62 Ų6242.8 Ų42.843%0.43423%0.234SC..THydrogen-bonded Turntrans-66.5-21.1178.469.70000113R131 L132 V133 T137R131-S135 WeakPolarHBondContact O-CB 3.5Å; R131-S135 PolarHBondContact O-N 3.45Å; L132-S135 PolarHBondContact O-OG 3.4Å; L132-S135 VanDerWaalsContact O-OG 3.11Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 2.83Å; S135-T137 PolarHBondContact O-N 3.13Å; S135-T137 VanDerWaalsContact O-N 3.08Å; S135-T137 PolarHBondContact OG-OG1 3.42Å
136G73.2Confident89.1Confident22 Ų2242.9 Ų42.923%0.22723%0.234CC..  trans63.113.7179.600000114.4V133 E134 F139V133-G136 PolarHBondContact O-N 3.34Å; V133-G136 VanDerWaalsContact O-N 3.16Å; E134-G136 PolarHBondContact O-N 3.46Å; G136-F139 WeakPolarHBondContact O-CE2 3.49Å; G136-F139 WeakPolarHBondContact O-CZ 3.43Å
137T74.8Confident89.3Confident90 Ų9042.1 Ų42.155%0.55223%0.23SC*.  trans-87.7-7.5-175.750.30000113.7S135S135-T137 PolarHBondContact O-N 3.13Å; S135-T137 VanDerWaalsContact O-N 3.08Å; S135-T137 PolarHBondContact OG-OG1 3.42Å
138H74.6Confident89.3Confident20 Ų2041.6 Ų41.69%0.09322%0.22CC..  trans-114.4135-174.2-62.9-53.2000111.4R100 M142R100-H138 PolarHBondContact NH1-CE1 3.36Å; R100-H138 PolarHBondContact NH1-NE2 2.85Å; H138-M142 HydrophobicContact CB-SD 4.34Å; H138-M142 PolarHBondContact ND1-SD 3.1Å
139F77.6Confident89.5Confident150 Ų15041.2 Ų41.266%0.65822%0.217SC*.  trans-138.8161.7-177.8-58.7-80.1000110.5G136G136-F139 WeakPolarHBondContact O-CE2 3.49Å; G136-F139 WeakPolarHBondContact O-CZ 3.43Å
140G86.4Confident89.6Confident32 Ų3241.2 Ų41.233%0.3322%0.217SC..THydrogen-bonded Turntrans66.2-141.9178.700000113.4M142 L143 A144G140-M142 VanDerWaalsContact C-N 3.27Å; G140-M142 PolarHBondContact O-N 3.33Å; G140-L143 PolarHBondContact O-N 3.2Å; G140-L143 VanDerWaalsContact O-N 3.11Å; G140-A144 PolarHBondContact O-N 3.46Å; G140-A144 VanDerWaalsContact O-N 3.1Å
141E88.9Confident89.6Confident135 Ų13541.4 Ų41.463%0.63122%0.217SC*.Hα-helixtrans-56.1-37.7-173.7-63.8-174.7156.100113.5L101 L143 A144 F145L101-E141 HydrophobicContact CD1-CB 4.17Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.34Å; E141-A144 PolarHBondContact O-N 3.02Å; E141-F145 HydrophobicContact CB-CD2 4.41Å; E141-F145 HydrophobicContact CB-CE2 4.08Å; E141-F145 WeakPolarHBondContact O-CD2 3.1Å; E141-F145 PolarHBondContact O-N 2.67Å
142M91.8Very high89.6Confident16 Ų1635.9 Ų35.98%0.07920%0.197CC..Hα-helixtrans-59.8-44.2179.5-168.2176.5-73.200111.7I97 R100 L101 L104 H138 G140 T146I97-M142 HydrophobicContact CG2-CE 3.86Å; I97-M142 WeakPolarHBondContact O-CE 3.37Å; R100-M142 HydrophobicContact CB-CE 4.16Å; R100-M142 HydrophobicContact CG-CE 4.16Å; R100-M142 HydrophobicContact CG-SD 4.09Å; L101-M142 HydrophobicContact CB-CE 3.89Å; L101-M142 HydrophobicContact CD1-CB 4.02Å; L104-M142 HydrophobicContact CD1-CG 3.3Å; L104-M142 HydrophobicContact CD1-SD 4.15Å; H138-M142 HydrophobicContact CB-SD 4.34Å; H138-M142 PolarHBondContact ND1-SD 3.1Å; G140-M142 VanDerWaalsContact C-N 3.27Å; G140-M142 PolarHBondContact O-N 3.33Å; M142-T146 WeakPolarHBondContact O-CB 3.3Å; M142-T146 PolarHBondContact O-N 3.26Å; M142-T146 PolarHBondContact O-OG1 3.18Å
143L93.5Very high89.7Confident3 Ų334.9 Ų34.92%0.01619%0.192CC..Hα-helixtrans-70.1-40.6177-179.556.9000110.6V133 G140 E141 F145 T146 L147 Y175 I185V133-L143 HydrophobicContact CG2-CD1 4.17Å; G140-L143 PolarHBondContact O-N 3.2Å; G140-L143 VanDerWaalsContact O-N 3.11Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.34Å; L143-F145 PolarHBondContact O-N 3.31Å; L143-T146 WeakPolarHBondContact O-CB 3.32Å; L143-T146 PolarHBondContact O-N 2.69Å; L143-L147 HydrophobicContact CD1-CD1 4.27Å; L143-L147 HydrophobicContact CD1-CD2 4.24Å; L143-L147 HydrophobicContact CD1-CG 3.96Å; L143-L147 HydrophobicContact CG-CD1 4.16Å; L143-L147 HydrophobicContact CG-CG 4.28Å; L143-L147 WeakPolarHBondContact O-CG 3.44Å; L143-L147 PolarHBondContact O-N 3.11Å; L143-Y175 HydrophobicContact CD1-CE2 4.36Å; L143-Y175 HydrophobicContact CD2-CE1 3.97Å; L143-Y175 HydrophobicContact CD2-CE2 3.84Å; L143-Y175 WeakPolarHBondContact CD2-OH 3.35Å; L143-I185 HydrophobicContact CB-CD1 4.21Å; L143-I185 HydrophobicContact CD2-CD1 4.03Å; L143-I185 HydrophobicContact CD2-CG2 4.05Å; L143-I185 HydrophobicContact CG-CD1 4.3Å; L143-I185 HydrophobicContact CG-CG1 4.44Å; L143-I185 HydrophobicContact CG-CG2 4.42Å
144A93.9Very high89.7Confident10 Ų1035 Ų358%0.08319%0.192CC..Hα-helixtrans-58.8-44176.700000112.6G140 E141 T148 I185G140-A144 PolarHBondContact O-N 3.46Å; G140-A144 VanDerWaalsContact O-N 3.1Å; E141-A144 PolarHBondContact O-N 3.02Å; A144-T148 WeakPolarHBondContact O-CB 3.35Å; A144-T148 PolarHBondContact O-N 3.14Å; A144-T148 PolarHBondContact O-OG1 3.1Å; A144-I185 HydrophobicContact CB-CG1 4.2Å
145F95.9Very high89.4Confident53 Ų5332.2 Ų32.223%0.23218%0.18CC..Hα-helixtrans-67-39.2174.7-68.2-51.2000112.4L101 L104 K105 A108 E141 L143 T148 A149L101-F145 HydrophobicContact CD1-CD2 4.07Å; L101-F145 HydrophobicContact CD1-CE2 4.23Å; L104-F145 HydrophobicContact CB-CB 4.01Å; K105-F145 HydrophobicContact CB-CD1 4.4Å; K105-F145 HydrophobicContact CB-CD2 3.95Å; K105-F145 HydrophobicContact CB-CE1 4.31Å; K105-F145 HydrophobicContact CB-CE2 3.86Å; K105-F145 HydrophobicContact CB-CG 4.24Å; K105-F145 HydrophobicContact CB-CZ 4.06Å; K105-F145 HydrophobicContact CD-CE2 4.28Å; K105-F145 HydrophobicContact CD-CZ 4.08Å; K105-F145 HydrophobicContact CG-CD1 4.48Å; K105-F145 HydrophobicContact CG-CE1 3.98Å; K105-F145 HydrophobicContact CG-CE2 4.04Å; K105-F145 HydrophobicContact CG-CZ 3.74Å; A108-F145 HydrophobicContact CB-CB 4.23Å; A108-F145 HydrophobicContact CB-CD1 3.97Å; E141-F145 HydrophobicContact CB-CD2 4.41Å; E141-F145 HydrophobicContact CB-CE2 4.08Å; E141-F145 WeakPolarHBondContact O-CD2 3.1Å; E141-F145 PolarHBondContact O-N 2.67Å; L143-F145 PolarHBondContact O-N 3.31Å; F145-T148 PolarHBondContact O-N 3.39Å; F145-A149 WeakPolarHBondContact O-CB 3.38Å; F145-A149 PolarHBondContact O-N 3.41Å
146T96.1Very high89.4Confident1 Ų130.5 Ų30.51%0.00617%0.165CC..Hα-helixtrans-59.8-48.4175.5-54.40000111.1L129 L132 V133 M142 L143 A149 F150L129-T146 HydrophobicContact CB-CG2 4.3Å; L129-T146 HydrophobicContact CD2-CG2 4.01Å; L132-T146 HydrophobicContact CB-CG2 4.41Å; V133-T146 HydrophobicContact CG2-CG2 3.94Å; M142-T146 WeakPolarHBondContact O-CB 3.3Å; M142-T146 PolarHBondContact O-N 3.26Å; M142-T146 PolarHBondContact O-OG1 3.18Å; L143-T146 WeakPolarHBondContact O-CB 3.32Å; L143-T146 PolarHBondContact O-N 2.69Å; T146-A149 PolarHBondContact O-N 2.82Å; T146-F150 VanDerWaalsContact O-CB 3.31Å; T146-F150 WeakPolarHBondContact O-CB 3.46Å; T146-F150 PolarHBondContact O-N 2.93Å
147L96Very high89.9Confident0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-67.1-36.4179.1-64.5-179.9000112.1V133 L143 L151 I172 I185 R188 I192V133-L147 HydrophobicContact CG1-CD2 4.46Å; V133-L147 HydrophobicContact CG2-CD2 3.8Å; L143-L147 HydrophobicContact CD1-CD1 4.27Å; L143-L147 HydrophobicContact CD1-CD2 4.24Å; L143-L147 HydrophobicContact CD1-CG 3.96Å; L143-L147 HydrophobicContact CG-CD1 4.16Å; L143-L147 HydrophobicContact CG-CG 4.28Å; L143-L147 WeakPolarHBondContact O-CG 3.44Å; L143-L147 PolarHBondContact O-N 3.11Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 PolarHBondContact O-N 3.34Å; L147-I172 HydrophobicContact CD2-CD1 3.46Å; L147-I172 VanDerWaalsContact CD2-CD1 3.46Å; L147-I185 HydrophobicContact CD1-CG2 3.96Å; L147-R188 HydrophobicContact CB-CB 3.78Å; L147-R188 HydrophobicContact CB-CG 4.41Å; L147-R188 HydrophobicContact CD1-CB 4.24Å; L147-I192 HydrophobicContact CB-CD1 4.07Å; L147-I192 HydrophobicContact CD2-CD1 3.87Å; L147-I192 HydrophobicContact CG-CD1 4.47Å
148T95.3Very high90.5Very high26 Ų2631.3 Ų31.316%0.1617%0.172CC..Hα-helixtrans-63.8-51.8174.8-59.10000110.6A108 A144 F145 F150 L151 E152 R188A108-T148 HydrophobicContact CB-CG2 4.13Å; A144-T148 WeakPolarHBondContact O-CB 3.35Å; A144-T148 PolarHBondContact O-N 3.14Å; A144-T148 PolarHBondContact O-OG1 3.1Å; F145-T148 PolarHBondContact O-N 3.39Å; T148-F150 VanDerWaalsContact C-N 3.32Å; T148-F150 PolarHBondContact O-N 2.86Å; T148-L151 PolarHBondContact O-N 3.18Å; T148-E152 HydrophobicContact CG2-CG 4.38Å; T148-E152 WeakPolarHBondContact O-CB 3.43Å; T148-E152 VanDerWaalsContact O-CG 3.3Å; T148-E152 WeakPolarHBondContact O-CG 3.49Å; T148-E152 PolarHBondContact O-N 2.85Å; T148-R188 PolarHBondContact OG1-NE 3.04Å; T148-R188 VanDerWaalsContact OG1-NE 3.09Å
149A96.2Very high91.1Very high0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-57.1-46.1176.100000111.8L107 A108 L129 F145 T146 L151 E152 L153L107-A149 HydrophobicContact CD2-CB 3.9Å; L107-A149 HydrophobicContact CG-CB 3.79Å; A108-A149 HydrophobicContact CB-CB 4.44Å; L129-A149 HydrophobicContact CD1-CB 4.01Å; F145-A149 WeakPolarHBondContact O-CB 3.38Å; F145-A149 PolarHBondContact O-N 3.41Å; T146-A149 PolarHBondContact O-N 2.82Å; A149-L151 PolarHBondContact O-N 3.48Å; A149-E152 PolarHBondContact O-N 2.92Å; A149-L153 WeakPolarHBondContact O-CB 3.28Å; A149-L153 WeakPolarHBondContact O-CD1 3.49Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 3.29Å
150F96.8Very high91.5Very high0 Ų027.5 Ų27.50%017%0.165CC..Hα-helixtrans-58.6-48.6178.1177.6-88.1000111.9I126 L129 T146 T148 L153 M154 W161 I164 F168 I192I126-F150 HydrophobicContact CG2-CD2 4.3Å; I126-F150 HydrophobicContact CG2-CE2 3.86Å; L129-F150 HydrophobicContact CB-CD2 4.35Å; L129-F150 HydrophobicContact CD1-CB 4.18Å; T146-F150 VanDerWaalsContact O-CB 3.31Å; T146-F150 WeakPolarHBondContact O-CB 3.46Å; T146-F150 PolarHBondContact O-N 2.93Å; T148-F150 VanDerWaalsContact C-N 3.32Å; T148-F150 PolarHBondContact O-N 2.86Å; F150-L153 PolarHBondContact O-N 2.87Å; F150-M154 HydrophobicContact CD1-CG 4.2Å; F150-M154 HydrophobicContact CE1-CG 3.8Å; F150-M154 HydrophobicContact CE2-CG 4.29Å; F150-M154 HydrophobicContact CZ-CG 3.85Å; F150-M154 HydrophobicContact CZ-SD 4.32Å; F150-M154 VanDerWaalsContact O-CG 3.25Å; F150-M154 WeakPolarHBondContact O-CG 3.48Å; F150-M154 PolarHBondContact O-N 2.84Å; F150-W161 HydrophobicContact CE1-CH2 4.43Å; F150-W161 HydrophobicContact CE1-CZ3 4.1Å; F150-I164 HydrophobicContact CE2-CD1 3.9Å; F150-I164 HydrophobicContact CZ-CD1 3.56Å; F150-I164 HydrophobicContact CZ-CG1 4.21Å; F150-F168 HydrophobicContact CD1-CE1 4.44Å; F150-F168 AromaticContact CD1-CZ 3.84Å; F150-F168 HydrophobicContact CD1-CZ 3.84Å; F150-F168 HydrophobicContact CD2-CE2 4.32Å; F150-F168 HydrophobicContact CD2-CZ 4.08Å; F150-F168 AromaticContact CE1-CE1 3.72Å; F150-F168 HydrophobicContact CE1-CE1 3.72Å; F150-F168 AromaticContact CE1-CZ 3.52Å; F150-F168 HydrophobicContact CE1-CZ 3.52Å; F150-F168 HydrophobicContact CE2-CE1 4.32Å; F150-F168 HydrophobicContact CE2-CE2 4.07Å; F150-F168 AromaticContact CE2-CZ 3.76Å; F150-F168 HydrophobicContact CE2-CZ 3.76Å; F150-F168 HydrophobicContact CG-CZ 4.11Å; F150-F168 AromaticContact CZ-CE1 3.64Å; F150-F168 HydrophobicContact CZ-CE1 3.64Å; F150-F168 HydrophobicContact CZ-CE2 4.21Å; F150-F168 AromaticContact CZ-CZ 3.46Å; F150-F168 HydrophobicContact CZ-CZ 3.46Å; F150-F168 VanDerWaalsContact CZ-CZ 3.46Å; F150-I192 HydrophobicContact CD1-CD1 3.98Å; F150-I192 HydrophobicContact CD1-CG1 4.31Å; F150-I192 HydrophobicContact CE1-CG2 4.23Å
151L94.1Very high91.7Very high15 Ų1526.7 Ų26.78%0.07915%0.152CC..Hα-helixtrans-63.1-48.6180-179.559.8000111.5L147 T148 A149 L153 M154 D155 W161 A191 I192L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 PolarHBondContact O-N 3.34Å; T148-L151 PolarHBondContact O-N 3.18Å; A149-L151 PolarHBondContact O-N 3.48Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.8Å; L151-M154 PolarHBondContact O-N 3.45Å; L151-M154 VanDerWaalsContact O-N 3.17Å; L151-D155 WeakPolarHBondContact O-CB 3.4Å; L151-D155 VanDerWaalsContact O-CG 3.3Å; L151-D155 PolarHBondContact O-N 3.47Å; L151-W161 HydrophobicContact CD1-CH2 4.22Å; L151-A191 HydrophobicContact CD2-CB 3.77Å; L151-I192 HydrophobicContact CB-CG1 4.07Å; L151-I192 HydrophobicContact CD1-CG1 4.03Å; L151-I192 HydrophobicContact CD2-CG1 4.49Å; L151-I192 HydrophobicContact CG-CG1 4.43Å
152E93.1Very high91.5Very high33 Ų3324.2 Ų24.215%0.15414%0.143CC..Hα-helixtrans-57.2-45.1177.9-71.4-68.7162.400111.6T148 A149 M154 D155 H156T148-E152 HydrophobicContact CG2-CG 4.38Å; T148-E152 WeakPolarHBondContact O-CB 3.43Å; T148-E152 VanDerWaalsContact O-CG 3.3Å; T148-E152 WeakPolarHBondContact O-CG 3.49Å; T148-E152 PolarHBondContact O-N 2.85Å; A149-E152 PolarHBondContact O-N 2.92Å; E152-M154 PolarHBondContact O-N 2.86Å; E152-D155 PolarHBondContact O-N 2.94Å; E152-H156 PolarHBondContact O-CD2 3.42Å; E152-H156 PolarHBondContact O-NE2 2.64Å
153L94.2Very high91.3Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-61-44.3176.8-71.4169.4000112.1A117 F120 I121 I126 L129 A149 F150 L151 D155 H156A117-L153 HydrophobicContact CB-CD2 3.6Å; F120-L153 HydrophobicContact CD1-CD1 3.58Å; F120-L153 HydrophobicContact CD1-CD2 4.22Å; F120-L153 HydrophobicContact CE1-CD1 3.75Å; I121-L153 HydrophobicContact CD1-CD2 4.48Å; I121-L153 HydrophobicContact CG1-CD2 4.4Å; I126-L153 HydrophobicContact CD1-CB 4.3Å; I126-L153 HydrophobicContact CG1-CB 4.3Å; I126-L153 HydrophobicContact CG1-CD1 4.21Å; L129-L153 HydrophobicContact CD1-CD1 3.74Å; A149-L153 WeakPolarHBondContact O-CB 3.28Å; A149-L153 WeakPolarHBondContact O-CD1 3.49Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 3.29Å; F150-L153 PolarHBondContact O-N 2.87Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.8Å; L153-D155 VanDerWaalsContact C-N 3.35Å; L153-H156 PolarHBondContact O-N 2.96Å
154M91.6Very high91.2Very high1 Ų130.3 Ų30.31%0.00518%0.175CC..Hα-helixtrans-69.3-32.1179.7-68.3-64-66.300112.5I126 F150 L151 E152 H156 G157 V159 W161 I164I126-M154 HydrophobicContact CD1-SD 3.81Å; I126-M154 HydrophobicContact CG2-SD 4.27Å; F150-M154 HydrophobicContact CD1-CG 4.2Å; F150-M154 HydrophobicContact CE1-CG 3.8Å; F150-M154 HydrophobicContact CE2-CG 4.29Å; F150-M154 HydrophobicContact CZ-CG 3.85Å; F150-M154 HydrophobicContact CZ-SD 4.32Å; F150-M154 VanDerWaalsContact O-CG 3.25Å; F150-M154 WeakPolarHBondContact O-CG 3.48Å; F150-M154 PolarHBondContact O-N 2.84Å; L151-M154 PolarHBondContact O-N 3.45Å; L151-M154 VanDerWaalsContact O-N 3.17Å; E152-M154 PolarHBondContact O-N 2.86Å; M154-H156 PolarHBondContact O-N 2.77Å; M154-G157 PolarHBondContact O-N 2.65Å; M154-V159 HydrophobicContact SD-CB 4.46Å; M154-W161 HydrophobicContact CB-CH2 3.63Å; M154-W161 HydrophobicContact CB-CZ2 3.35Å; M154-W161 HydrophobicContact CB-CZ3 4.36Å; M154-W161 HydrophobicContact CE-CB 4.25Å; M154-W161 HydrophobicContact CE-CD2 3.42Å; M154-W161 VanDerWaalsContact CE-CD2 3.42Å; M154-W161 HydrophobicContact CE-CE3 3.64Å; M154-W161 HydrophobicContact CE-CG 3.7Å; M154-W161 HydrophobicContact CE-CH2 4.45Å; M154-W161 HydrophobicContact CE-CZ2 4.27Å; M154-W161 HydrophobicContact CE-CZ3 4.15Å; M154-W161 HydrophobicContact CG-CH2 4.01Å; M154-W161 HydrophobicContact CG-CZ2 4.15Å; M154-W161 HydrophobicContact CG-CZ3 4.31Å; M154-I164 HydrophobicContact CE-CD1 4.19Å; M154-I164 HydrophobicContact CE-CG1 4.19Å; M154-I164 HydrophobicContact SD-CD1 4.37Å
155D86.5Confident91.1Very high8 Ų831.7 Ų31.74%0.04318%0.184CC..Hα-helixtrans-70.3-14.2-179.2-75.7-14.2000113.5L151 E152 L153 G157 N563 R565L151-D155 WeakPolarHBondContact O-CB 3.4Å; L151-D155 VanDerWaalsContact O-CG 3.3Å; L151-D155 PolarHBondContact O-N 3.47Å; E152-D155 PolarHBondContact O-N 2.94Å; L153-D155 VanDerWaalsContact C-N 3.35Å; D155-G157 PolarHBondContact O-N 3.4Å; D155-N563 PolarHBondContact O-ND2 2.91Å; D155-R565 VanDerWaalsContact OD2-CB 3.23Å; D155-R565 WeakPolarHBondContact OD2-CB 3.29Å
156H86.3Confident90.9Very high25 Ų2533.4 Ų33.412%0.11620%0.195CC..THydrogen-bonded Turntrans-67-16.3166.3-64.6-86000113.6S111 A112 P114 E152 L153 M154 I158 R566S111-H156 PolarHBondContact O-NE2 3.37Å; A112-H156 PolarHBondContact O-CE1 2.64Å; P114-H156 WeakPolarHBondContact CA-CE1 3.5Å; P114-H156 WeakPolarHBondContact CA-ND1 3.47Å; E152-H156 PolarHBondContact O-CD2 3.42Å; E152-H156 PolarHBondContact O-NE2 2.64Å; L153-H156 PolarHBondContact O-N 2.96Å; M154-H156 PolarHBondContact O-N 2.77Å; H156-I158 HydrophobicContact CB-CD1 3.7Å; H156-I158 HydrophobicContact CB-CG1 3.86Å; H156-I158 PolarHBondContact O-N 3.05Å; H156-R566 VanDerWaalsContact CA-NH2 3.26Å; H156-R566 PolarHBondContact CE1-NH2 3.34Å; H156-R566 PolarHBondContact ND1-NH2 3.07Å
157G84.4Confident90.8Very high52 Ų5236.2 Ų36.254%0.53622%0.215SC..  trans67.114.3179.200000114.3M154 D155 V159M154-G157 PolarHBondContact O-N 2.65Å; D155-G157 PolarHBondContact O-N 3.4Å; G157-V159 VanDerWaalsContact C-N 3.34Å
158I87.3Confident90.7Very high78 Ų7836.2 Ų36.240%0.422%0.215SC..SBendtrans-70.3-34.9177.4-61.6165.1000110.4I121 H156I121-I158 HydrophobicContact CD1-CB 3.96Å; I121-I158 HydrophobicContact CD1-CD1 3.83Å; I121-I158 HydrophobicContact CD1-CG1 4.48Å; I121-I158 HydrophobicContact CD1-CG2 4.12Å; I121-I158 HydrophobicContact CG2-CG2 4.18Å; H156-I158 HydrophobicContact CB-CD1 3.7Å; H156-I158 HydrophobicContact CB-CG1 3.86Å; H156-I158 PolarHBondContact O-N 3.05Å
159V86.6Confident90.7Very high30 Ų3035 Ų3518%0.18221%0.207CC..SBendtrans-116135.8-177.4-179.10000109.6I121 I126 M154 G157 L163I121-V159 HydrophobicContact CD1-CG2 4.27Å; I121-V159 HydrophobicContact CG1-CG2 4.46Å; I121-V159 HydrophobicContact CG2-CG2 3.44Å; I121-V159 VanDerWaalsContact CG2-CG2 3.44Å; I126-V159 HydrophobicContact CD1-CB 4.05Å; I126-V159 HydrophobicContact CD1-CG1 4.38Å; I126-V159 HydrophobicContact CD1-CG2 3.81Å; M154-V159 HydrophobicContact SD-CB 4.46Å; G157-V159 VanDerWaalsContact C-N 3.34Å; V159-L163 HydrophobicContact CG1-CD1 3.72Å
160S86.9Confident90.6Very high59 Ų5941 Ų4141%0.41323%0.233SC..  trans-69136.4175.6177.80000111.3D162 L163S160-D162 PolarHBondContact O-N 2.88Å; S160-D162 PolarHBondContact OG-N 3.39Å; S160-D162 VanDerWaalsContact OG-N 3.15Å; S160-D162 PolarHBondContact OG-OD2 3.49Å; S160-L163 WeakPolarHBondContact O-CB 3.46Å; S160-L163 PolarHBondContact O-N 3.12Å
161W89.9Confident90.5Very high15 Ų1543.8 Ų43.86%0.05725%0.246CC..G310 helixtrans-60.1-23.9171.5-72.490.2000113F150 L151 M154 L163 I164 I192 S195 M196 N199 L203F150-W161 HydrophobicContact CE1-CH2 4.43Å; F150-W161 HydrophobicContact CE1-CZ3 4.1Å; L151-W161 HydrophobicContact CD1-CH2 4.22Å; M154-W161 HydrophobicContact CB-CH2 3.63Å; M154-W161 HydrophobicContact CB-CZ2 3.35Å; M154-W161 HydrophobicContact CB-CZ3 4.36Å; M154-W161 HydrophobicContact CE-CB 4.25Å; M154-W161 HydrophobicContact CE-CD2 3.42Å; M154-W161 VanDerWaalsContact CE-CD2 3.42Å; M154-W161 HydrophobicContact CE-CE3 3.64Å; M154-W161 HydrophobicContact CE-CG 3.7Å; M154-W161 HydrophobicContact CE-CH2 4.45Å; M154-W161 HydrophobicContact CE-CZ2 4.27Å; M154-W161 HydrophobicContact CE-CZ3 4.15Å; M154-W161 HydrophobicContact CG-CH2 4.01Å; M154-W161 HydrophobicContact CG-CZ2 4.15Å; M154-W161 HydrophobicContact CG-CZ3 4.31Å; W161-L163 PolarHBondContact O-N 3.11Å; W161-L163 VanDerWaalsContact O-N 3.16Å; W161-I164 HydrophobicContact CE3-CG1 4.45Å; W161-I164 WeakPolarHBondContact O-CB 3.26Å; W161-I164 WeakPolarHBondContact O-CG1 3.38Å; W161-I164 PolarHBondContact O-N 3.28Å; W161-I164 VanDerWaalsContact O-N 3.12Å; W161-I192 HydrophobicContact CZ3-CG2 4.25Å; W161-S195 VanDerWaalsContact CH2-CB 3.48Å; W161-S195 WeakPolarHBondContact CZ2-OG 3.42Å; W161-M196 HydrophobicContact CD2-CG 4.47Å; W161-M196 HydrophobicContact CE3-CB 4.45Å; W161-M196 HydrophobicContact CE3-CE 4.25Å; W161-M196 HydrophobicContact CE3-CG 3.47Å; W161-M196 VanDerWaalsContact CE3-CG 3.47Å; W161-M196 HydrophobicContact CZ3-CE 4.03Å; W161-M196 HydrophobicContact CZ3-CG 3.64Å; W161-N199 HydrophobicContact CB-CB 4.46Å; W161-N199 VanDerWaalsContact CD1-CB 3.5Å; W161-N199 HydrophobicContact CG-CB 4.01Å; W161-L203 HydrophobicContact CB-CD1 3.6Å; W161-L203 WeakPolarHBondContact O-CD1 3.35Å
162D86.1Confident90.5Very high84 Ų8443 Ų4345%0.44924%0.243SC..G310 helixtrans-66.5-14.7178.8-66.9-50.1000113.6S160 I164 S200 S202S160-D162 PolarHBondContact O-N 2.88Å; S160-D162 PolarHBondContact OG-N 3.39Å; S160-D162 VanDerWaalsContact OG-N 3.15Å; S160-D162 PolarHBondContact OG-OD2 3.49Å; D162-I164 PolarHBondContact O-N 2.68Å; D162-S200 WeakPolarHBondContact OD1-CB 3.21Å; D162-S200 PolarHBondContact OD1-OG 3.48Å; D162-S202 PolarHBondContact OD1-OG 3.34Å
163L87.7Confident90.6Very high136 Ų13641.5 Ų41.571%0.71224%0.236SC*.G310 helixtrans-78.4-8175.9-63.1174000112.9V159 S160 W161V159-L163 HydrophobicContact CG1-CD1 3.72Å; S160-L163 WeakPolarHBondContact O-CB 3.46Å; S160-L163 PolarHBondContact O-N 3.12Å; W161-L163 PolarHBondContact O-N 3.11Å; W161-L163 VanDerWaalsContact O-N 3.16Å
164I90.8Very high90.5Very high11 Ų1142.6 Ų42.66%0.05625%0.246CC..SBendtrans-75.1132.2179.6-56.8-53.4000111.1F150 M154 W161 D162 F168 I169 M196F150-I164 HydrophobicContact CE2-CD1 3.9Å; F150-I164 HydrophobicContact CZ-CD1 3.56Å; F150-I164 HydrophobicContact CZ-CG1 4.21Å; M154-I164 HydrophobicContact CE-CD1 4.19Å; M154-I164 HydrophobicContact CE-CG1 4.19Å; M154-I164 HydrophobicContact SD-CD1 4.37Å; W161-I164 HydrophobicContact CE3-CG1 4.45Å; W161-I164 WeakPolarHBondContact O-CB 3.26Å; W161-I164 WeakPolarHBondContact O-CG1 3.38Å; W161-I164 PolarHBondContact O-N 3.28Å; W161-I164 VanDerWaalsContact O-N 3.12Å; D162-I164 PolarHBondContact O-N 2.68Å; I164-F168 HydrophobicContact CG2-CB 3.85Å; I164-F168 HydrophobicContact CG2-CD1 3.34Å; I164-F168 HydrophobicContact CG2-CE1 4.11Å; I164-F168 HydrophobicContact CG2-CG 3.81Å; I164-I169 HydrophobicContact CG2-CG1 4.21Å; I164-M196 HydrophobicContact CB-CE 4.48Å; I164-M196 HydrophobicContact CG2-CE 3.82Å
165S92.5Very high90.6Very high38 Ų3843 Ų4327%0.26625%0.248SC..  trans-69.1155.7-176.773.50000112.2E134 S167 F168 I169E134-S165 PolarHBondContact OE1-OG 2.98Å; S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.36Å; S165-S167 PolarHBondContact OG-OG 3.06Å; S165-F168 PolarHBondContact O-N 3.2Å; S165-F168 WeakPolarHBondContact OG-CB 3.25Å; S165-F168 PolarHBondContact OG-N 2.78Å; S165-I169 WeakPolarHBondContact O-CG1 3.29Å; S165-I169 PolarHBondContact O-N 3.43Å
166L91.4Very high90.9Very high90 Ų9042.6 Ų42.647%0.47125%0.246SC..Hα-helixtrans-64.5-33.5171.4-79.3158.8000112.3I169 K170 R206L166-I169 PolarHBondContact O-N 3.33Å; L166-K170 WeakPolarHBondContact O-CG 3.48Å; L166-K170 PolarHBondContact O-N 3.3Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L166-R206 HydrophobicContact CD2-CG 3.94Å
167S93.3Very high91.1Very high59 Ų5944.1 Ų44.141%0.41326%0.255SS..Hα-helixtrans-63.3-44.3176.837.80000111.3E134 S165 K170 Q171E134-S167 PolarHBondContact OE1-OG 3.2Å; E134-S167 WeakPolarHBondContact OE2-CB 3.43Å; E134-S167 PolarHBondContact OE2-OG 3.44Å; S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.36Å; S165-S167 PolarHBondContact OG-OG 3.06Å; S167-K170 PolarHBondContact O-N 2.92Å; S167-Q171 WeakPolarHBondContact O-CB 3.3Å; S167-Q171 PolarHBondContact O-N 3.38Å
168F95.1Very high91.1Very high0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-60.8-48.4176.6-175.8-88.7000111.6A130 V133 E134 F150 I164 S165 K170 Q171 I172 I192 M196A130-F168 HydrophobicContact CB-CD2 3.91Å; A130-F168 HydrophobicContact CB-CE2 4.28Å; V133-F168 HydrophobicContact CB-CD2 3.93Å; V133-F168 HydrophobicContact CB-CE2 3.64Å; V133-F168 HydrophobicContact CG1-CD2 3.95Å; V133-F168 HydrophobicContact CG1-CE2 3.75Å; V133-F168 HydrophobicContact CG1-CZ 4.49Å; V133-F168 HydrophobicContact CG2-CE2 3.79Å; E134-F168 HydrophobicContact CG-CB 4.05Å; E134-F168 HydrophobicContact CG-CD2 4.45Å; F150-F168 HydrophobicContact CD1-CE1 4.44Å; F150-F168 AromaticContact CD1-CZ 3.84Å; F150-F168 HydrophobicContact CD1-CZ 3.84Å; F150-F168 HydrophobicContact CD2-CE2 4.32Å; F150-F168 HydrophobicContact CD2-CZ 4.08Å; F150-F168 AromaticContact CE1-CE1 3.72Å; F150-F168 HydrophobicContact CE1-CE1 3.72Å; F150-F168 AromaticContact CE1-CZ 3.52Å; F150-F168 HydrophobicContact CE1-CZ 3.52Å; F150-F168 HydrophobicContact CE2-CE1 4.32Å; F150-F168 HydrophobicContact CE2-CE2 4.07Å; F150-F168 AromaticContact CE2-CZ 3.76Å; F150-F168 HydrophobicContact CE2-CZ 3.76Å; F150-F168 HydrophobicContact CG-CZ 4.11Å; F150-F168 AromaticContact CZ-CE1 3.64Å; F150-F168 HydrophobicContact CZ-CE1 3.64Å; F150-F168 HydrophobicContact CZ-CE2 4.21Å; F150-F168 AromaticContact CZ-CZ 3.46Å; F150-F168 HydrophobicContact CZ-CZ 3.46Å; F150-F168 VanDerWaalsContact CZ-CZ 3.46Å; I164-F168 HydrophobicContact CG2-CB 3.85Å; I164-F168 HydrophobicContact CG2-CD1 3.34Å; I164-F168 HydrophobicContact CG2-CE1 4.11Å; I164-F168 HydrophobicContact CG2-CG 3.81Å; S165-F168 PolarHBondContact O-N 3.2Å; S165-F168 WeakPolarHBondContact OG-CB 3.25Å; S165-F168 PolarHBondContact OG-N 2.78Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.99Å; F168-Q171 WeakPolarHBondContact O-CB 3.4Å; F168-Q171 PolarHBondContact O-N 3.47Å; F168-Q171 VanDerWaalsContact O-N 3.13Å; F168-I172 HydrophobicContact CD1-CG1 3.89Å; F168-I172 HydrophobicContact CE1-CD1 4.1Å; F168-I172 HydrophobicContact CE1-CG1 3.52Å; F168-I172 HydrophobicContact CE2-CD1 4.47Å; F168-I172 HydrophobicContact CZ-CD1 3.94Å; F168-I172 HydrophobicContact CZ-CG1 3.89Å; F168-I172 WeakPolarHBondContact O-CG1 3.38Å; F168-I172 PolarHBondContact O-N 3.44Å; F168-I192 HydrophobicContact CE1-CG2 4.2Å; F168-M196 HydrophobicContact CD1-CE 3.77Å; F168-M196 HydrophobicContact CE1-CE 3.62Å
169I94.3Very high90.3Very high0 Ų049 Ų490%027%0.274CS..Hα-helixtrans-58.3-47.4179.9-62.8164.1000110.7I164 S165 L166 Q171 I172 A173 M196 L203 R206 V207I164-I169 HydrophobicContact CG2-CG1 4.21Å; S165-I169 WeakPolarHBondContact O-CG1 3.29Å; S165-I169 PolarHBondContact O-N 3.43Å; L166-I169 PolarHBondContact O-N 3.33Å; I169-Q171 VanDerWaalsContact C-N 3.27Å; I169-Q171 PolarHBondContact O-N 3.43Å; I169-I172 PolarHBondContact O-N 2.95Å; I169-A173 WeakPolarHBondContact O-CB 3.33Å; I169-A173 PolarHBondContact O-N 3.27Å; I169-M196 HydrophobicContact CG1-CE 4.19Å; I169-M196 HydrophobicContact CG1-SD 4.04Å; I169-L203 HydrophobicContact CD1-CD2 3.76Å; I169-R206 HydrophobicContact CD1-CB 4.32Å; I169-V207 HydrophobicContact CG2-CG2 4.22Å
170K93.5Very high89.6Confident127 Ų12756.2 Ų56.255%0.55231%0.308SS*.Hα-helixtrans-60.2-38177.5-77.9-177.6174.9-172.10112.6L166 S167 F168 G174 D210L166-K170 WeakPolarHBondContact O-CG 3.48Å; L166-K170 PolarHBondContact O-N 3.3Å; L166-K170 VanDerWaalsContact O-N 3.08Å; S167-K170 PolarHBondContact O-N 2.92Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.99Å; K170-G174 PolarHBondContact O-N 3.4Å; K170-D210 WeakPolarHBondContact CG-OD2 3.37Å
171Q94.3Very high89.4Confident58 Ų5855 Ų5527%0.27130%0.298SS..Hα-helixtrans-68.3-46178.6-170.665.57.700111.7V133 S167 F168 I169 G174 Y175V133-Q171 HydrophobicContact CG1-CB 4.38Å; V133-Q171 HydrophobicContact CG1-CG 3.95Å; V133-Q171 WeakPolarHBondContact O-CG 3.45Å; S167-Q171 WeakPolarHBondContact O-CB 3.3Å; S167-Q171 PolarHBondContact O-N 3.38Å; F168-Q171 WeakPolarHBondContact O-CB 3.4Å; F168-Q171 PolarHBondContact O-N 3.47Å; F168-Q171 VanDerWaalsContact O-N 3.13Å; I169-Q171 VanDerWaalsContact C-N 3.27Å; I169-Q171 PolarHBondContact O-N 3.43Å; Q171-G174 WeakPolarHBondContact O-CA 3.05Å; Q171-G174 PolarHBondContact O-N 2.9Å; Q171-G174 VanDerWaalsContact O-N 3.15Å; Q171-Y175 HydrophobicContact CG-CE2 3.98Å; Q171-Y175 PolarHBondContact NE2-OH 3.45Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.35Å; Q171-Y175 PolarHBondContact O-N 3.46Å; Q171-Y175 VanDerWaalsContact O-N 3.1Å
172I95.3Very high89.3Confident0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-62-44.2175.3-60.9-59.2000111V133 L147 F168 I169 G174 Y175 V176 I192 L193V133-I172 HydrophobicContact CG1-CD1 3.82Å; L147-I172 HydrophobicContact CD2-CD1 3.46Å; L147-I172 VanDerWaalsContact CD2-CD1 3.46Å; F168-I172 HydrophobicContact CD1-CG1 3.89Å; F168-I172 HydrophobicContact CE1-CD1 4.1Å; F168-I172 HydrophobicContact CE1-CG1 3.52Å; F168-I172 HydrophobicContact CE2-CD1 4.47Å; F168-I172 HydrophobicContact CZ-CD1 3.94Å; F168-I172 HydrophobicContact CZ-CG1 3.89Å; F168-I172 WeakPolarHBondContact O-CG1 3.38Å; F168-I172 PolarHBondContact O-N 3.44Å; I169-I172 PolarHBondContact O-N 2.95Å; I172-G174 VanDerWaalsContact C-N 3.26Å; I172-G174 PolarHBondContact O-N 3.46Å; I172-Y175 HydrophobicContact CD1-CD2 4.16Å; I172-Y175 HydrophobicContact CD1-CE2 4.2Å; I172-Y175 WeakPolarHBondContact O-CB 3.08Å; I172-Y175 PolarHBondContact O-N 2.95Å; I172-Y175 VanDerWaalsContact O-N 3.16Å; I172-V176 PolarHBondContact O-N 3.47Å; I172-I192 HydrophobicContact CD1-CD1 4.45Å; I172-I192 HydrophobicContact CG1-CG2 4.46Å; I172-I192 HydrophobicContact CG2-CB 4.45Å; I172-I192 HydrophobicContact CG2-CG2 4.29Å; I172-L193 HydrophobicContact CB-CD2 4.31Å; I172-L193 HydrophobicContact CG2-CD1 4.14Å; I172-L193 HydrophobicContact CG2-CD2 3.83Å; I172-L193 HydrophobicContact CG2-CG 3.67Å
173A94.1Very high89.5Confident1 Ų157.1 Ų57.11%0.00831%0.312CS..Hα-helixtrans-61.7-37.1174.800000111.8I169 Y175 V176 N177 D210 I211I169-A173 WeakPolarHBondContact O-CB 3.33Å; I169-A173 PolarHBondContact O-N 3.27Å; A173-Y175 VanDerWaalsContact C-N 3.33Å; A173-Y175 PolarHBondContact O-N 2.87Å; A173-V176 PolarHBondContact O-N 2.86Å; A173-V176 VanDerWaalsContact O-N 3.13Å; A173-N177 WeakPolarHBondContact O-CB 3.37Å; A173-N177 VanDerWaalsContact O-CG 3.25Å; A173-N177 PolarHBondContact O-N 3.01Å; A173-N177 PolarHBondContact O-ND2 2.94Å; A173-D210 HydrophobicContact CB-CB 3.67Å; A173-I211 HydrophobicContact CB-CD1 3.75Å; A173-I211 HydrophobicContact CB-CG1 3.92Å
174G92.8Very high89.7Confident22 Ų2253.2 Ų53.223%0.22730%0.296CS..Hα-helixtrans-56.6-42.3172.400000113K170 Q171 I172 V176 N177 Q178K170-G174 PolarHBondContact O-N 3.4Å; Q171-G174 WeakPolarHBondContact O-CA 3.05Å; Q171-G174 PolarHBondContact O-N 2.9Å; Q171-G174 VanDerWaalsContact O-N 3.15Å; I172-G174 VanDerWaalsContact C-N 3.26Å; I172-G174 PolarHBondContact O-N 3.46Å; G174-V176 VanDerWaalsContact C-N 3.33Å; G174-V176 PolarHBondContact O-N 3.33Å; G174-N177 PolarHBondContact O-N 2.95Å; G174-Q178 VanDerWaalsContact O-CG 3.29Å; G174-Q178 WeakPolarHBondContact O-CG 3.43Å; G174-Q178 PolarHBondContact O-N 3.46Å
175Y92.8Very high89.8Confident9 Ų953.1 Ų53.14%0.03530%0.296CS..Hα-helixtrans-65.2-35.3175.3-58.4-40.3000112.7V133 L143 Q171 I172 A173 V181 I185V133-Y175 HydrophobicContact CG1-CE2 4.14Å; L143-Y175 HydrophobicContact CD1-CE2 4.36Å; L143-Y175 HydrophobicContact CD2-CE1 3.97Å; L143-Y175 HydrophobicContact CD2-CE2 3.84Å; L143-Y175 WeakPolarHBondContact CD2-OH 3.35Å; Q171-Y175 HydrophobicContact CG-CE2 3.98Å; Q171-Y175 PolarHBondContact NE2-OH 3.45Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.35Å; Q171-Y175 PolarHBondContact O-N 3.46Å; Q171-Y175 VanDerWaalsContact O-N 3.1Å; I172-Y175 HydrophobicContact CD1-CD2 4.16Å; I172-Y175 HydrophobicContact CD1-CE2 4.2Å; I172-Y175 WeakPolarHBondContact O-CB 3.08Å; I172-Y175 PolarHBondContact O-N 2.95Å; I172-Y175 VanDerWaalsContact O-N 3.16Å; A173-Y175 VanDerWaalsContact C-N 3.33Å; A173-Y175 PolarHBondContact O-N 2.87Å; Y175-V181 WeakPolarHBondContact O-CG2 3.42Å; Y175-I185 HydrophobicContact CD2-CG2 4.36Å; Y175-I185 HydrophobicContact CG-CG2 4.26Å
176V93.4Very high89.9Confident1 Ų152 Ų521%0.00629%0.287CS..Hα-helixtrans-72.1-33.1174.7177.80000111.7I172 A173 G174 Q178 L186 L190 L193 I211 L216 H219I172-V176 PolarHBondContact O-N 3.47Å; A173-V176 PolarHBondContact O-N 2.86Å; A173-V176 VanDerWaalsContact O-N 3.13Å; G174-V176 VanDerWaalsContact C-N 3.33Å; G174-V176 PolarHBondContact O-N 3.33Å; V176-Q178 VanDerWaalsContact C-N 3.31Å; V176-Q178 PolarHBondContact O-N 2.84Å; V176-L186 HydrophobicContact CB-CD1 4.43Å; V176-L186 HydrophobicContact CG1-CD1 4.5Å; V176-L186 HydrophobicContact CG2-CD1 4.21Å; V176-L190 HydrophobicContact CG1-CD2 3.78Å; V176-L190 HydrophobicContact CG2-CD2 4.04Å; V176-L190 HydrophobicContact CG2-CG 4.25Å; V176-L193 HydrophobicContact CB-CD1 4.39Å; V176-L193 HydrophobicContact CG2-CD1 3.67Å; V176-I211 HydrophobicContact CB-CD1 3.92Å; V176-I211 HydrophobicContact CG1-CD1 3.93Å; V176-L216 HydrophobicContact CG1-CD2 3.85Å; V176-H219 PolarHBondContact O-CE1 3.44Å; V176-H219 VanDerWaalsContact O-CE1 3.3Å; V176-H219 PolarHBondContact O-NE2 3.29Å
177N90.3Very high89.9Confident56 Ų5648.8 Ų48.830%0.29927%0.27SS..Hα-helixtrans-81-9.4-177.3-71.5-24000114A173 G174 D210 I211 Q215A173-N177 WeakPolarHBondContact O-CB 3.37Å; A173-N177 VanDerWaalsContact O-CG 3.25Å; A173-N177 PolarHBondContact O-N 3.01Å; A173-N177 PolarHBondContact O-ND2 2.94Å; G174-N177 PolarHBondContact O-N 2.95Å; N177-D210 PolarHBondContact ND2-O 2.75Å; N177-I211 WeakPolarHBondContact OD1-CD1 3.49Å; N177-Q215 VanDerWaalsContact CG-NE2 3.26Å; N177-Q215 PolarHBondContact ND2-NE2 3.2Å; N177-Q215 PolarHBondContact OD1-NE2 3.24Å; N177-Q215 PolarHBondContact OD1-OE1 2.95Å
178Q85.5Confident90Very high98 Ų9849 Ų4946%0.45826%0.261SS..  trans-84.6135.3179.6-79.6172.319.300111.8G174 V176 M180 V181G174-Q178 VanDerWaalsContact O-CG 3.29Å; G174-Q178 WeakPolarHBondContact O-CG 3.43Å; G174-Q178 PolarHBondContact O-N 3.46Å; V176-Q178 VanDerWaalsContact C-N 3.31Å; V176-Q178 PolarHBondContact O-N 2.84Å; Q178-M180 VanDerWaalsContact C-N 3.32Å; Q178-M180 PolarHBondContact O-N 3.02Å; Q178-V181 HydrophobicContact CB-CG2 3.45Å; Q178-V181 VanDerWaalsContact CB-CG2 3.45Å; Q178-V181 HydrophobicContact CG-CG2 4.47Å
179P70.9Confident90Very high134 Ų13449 Ų4987%0.8726%0.261SS*.SBendtrans-73.4-17.7-175.826.6-33.6000114.7
180M70.8Confident90.1Very high182 Ų18249 Ų4990%0.89726%0.261SS*.SBendtrans-135.779.2-178-76.2-169.315600111.1Q178Q178-M180 VanDerWaalsContact C-N 3.32Å; Q178-M180 PolarHBondContact O-N 3.02Å
181V82.6Confident90.2Very high33 Ų3343 Ų4320%0.224%0.236CC..  trans-113.5147.8173.3176.30000109.5Y175 Q178 V183 I185 L186Y175-V181 WeakPolarHBondContact O-CG2 3.42Å; Q178-V181 HydrophobicContact CB-CG2 3.45Å; Q178-V181 VanDerWaalsContact CB-CG2 3.45Å; Q178-V181 HydrophobicContact CG-CG2 4.47Å; V181-V183 PolarHBondContact O-N 3.41Å; V181-I185 HydrophobicContact CG1-CB 3.7Å; V181-I185 HydrophobicContact CG1-CG2 3.6Å; V181-L186 HydrophobicContact CG1-CB 4.34Å
182D88.7Confident90.2Very high78 Ų7840.2 Ų40.242%0.41722%0.223SC..  trans-53.5139.5172.9179.4-100.3000110.9S184 I185 L186D182-S184 VanDerWaalsContact C-N 3.25Å; D182-S184 PolarHBondContact O-N 3.41Å; D182-S184 WeakPolarHBondContact OD1-CA 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 3.25Å; D182-S184 PolarHBondContact OD1-N 3.08Å; D182-S184 PolarHBondContact OD1-OG 3.23Å; D182-S184 VanDerWaalsContact OD1-OG 3.04Å; D182-I185 HydrophobicContact CB-CB 4.28Å; D182-I185 HydrophobicContact CB-CD1 3.79Å; D182-I185 HydrophobicContact CB-CG1 3.97Å; D182-I185 PolarHBondContact O-N 3.08Å; D182-I185 VanDerWaalsContact O-N 3.15Å; D182-I185 PolarHBondContact OD1-N 2.71Å; D182-L186 PolarHBondContact O-N 2.91Å
183V90.2Very high90.3Very high66 Ų6640.2 Ų40.240%0.422%0.223SC..Hα-helixtrans-56.1-42.3-176.3173.80000111.2V181 L186 Q187 N224 I227V181-V183 PolarHBondContact O-N 3.41Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-Q187 VanDerWaalsContact O-CB 3.25Å; V183-Q187 WeakPolarHBondContact O-CB 3.29Å; V183-Q187 PolarHBondContact O-N 3.34Å; V183-N224 VanDerWaalsContact CG1-ND2 3.27Å; V183-N224 WeakPolarHBondContact CG1-ND2 3.39Å; V183-I227 HydrophobicContact CG1-CD1 4.01Å; V183-I227 HydrophobicContact CG1-CG1 4.09Å
184S90.8Very high90.3Very high54 Ų5441.2 Ų41.238%0.37823%0.227SC..Hα-helixtrans-67.9-40.6-177.6-37.60000111D182 R188D182-S184 VanDerWaalsContact C-N 3.25Å; D182-S184 PolarHBondContact O-N 3.41Å; D182-S184 WeakPolarHBondContact OD1-CA 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 3.25Å; D182-S184 PolarHBondContact OD1-N 3.08Å; D182-S184 PolarHBondContact OD1-OG 3.23Å; D182-S184 VanDerWaalsContact OD1-OG 3.04Å; S184-R188 VanDerWaalsContact O-CG 3.29Å; S184-R188 WeakPolarHBondContact O-CG 3.5Å; S184-R188 PolarHBondContact O-N 3.04Å
185I93.6Very high90.2Very high10 Ų1040.2 Ų40.25%0.05122%0.216CC..Hα-helixtrans-65.4-46.9177-60.8173.5000110.1L143 A144 L147 Y175 V181 D182 R188 S189L143-I185 HydrophobicContact CB-CD1 4.21Å; L143-I185 HydrophobicContact CD2-CD1 4.03Å; L143-I185 HydrophobicContact CD2-CG2 4.05Å; L143-I185 HydrophobicContact CG-CD1 4.3Å; L143-I185 HydrophobicContact CG-CG1 4.44Å; L143-I185 HydrophobicContact CG-CG2 4.42Å; A144-I185 HydrophobicContact CB-CG1 4.2Å; L147-I185 HydrophobicContact CD1-CG2 3.96Å; Y175-I185 HydrophobicContact CD2-CG2 4.36Å; Y175-I185 HydrophobicContact CG-CG2 4.26Å; V181-I185 HydrophobicContact CG1-CB 3.7Å; V181-I185 HydrophobicContact CG1-CG2 3.6Å; D182-I185 HydrophobicContact CB-CB 4.28Å; D182-I185 HydrophobicContact CB-CD1 3.79Å; D182-I185 HydrophobicContact CB-CG1 3.97Å; D182-I185 PolarHBondContact O-N 3.08Å; D182-I185 VanDerWaalsContact O-N 3.15Å; D182-I185 PolarHBondContact OD1-N 2.71Å; I185-R188 PolarHBondContact O-N 3.27Å; I185-S189 VanDerWaalsContact O-CB 3.27Å; I185-S189 WeakPolarHBondContact O-CB 2.89Å; I185-S189 PolarHBondContact O-N 3.38Å; I185-S189 PolarHBondContact O-OG 3.48Å
186L93.9Very high90.2Very high15 Ų1539.8 Ų39.88%0.07922%0.215CC..Hα-helixtrans-62.1-45.6179.1179.360.4000111.1V176 V181 D182 V183 R188 S189 L190 I227V176-L186 HydrophobicContact CB-CD1 4.43Å; V176-L186 HydrophobicContact CG1-CD1 4.5Å; V176-L186 HydrophobicContact CG2-CD1 4.21Å; V181-L186 HydrophobicContact CG1-CB 4.34Å; D182-L186 PolarHBondContact O-N 2.91Å; V183-L186 PolarHBondContact O-N 3.22Å; L186-R188 PolarHBondContact O-N 2.89Å; L186-S189 PolarHBondContact O-N 3.04Å; L186-L190 HydrophobicContact CD1-CD1 4.14Å; L186-L190 HydrophobicContact CD1-CG 4.14Å; L186-L190 HydrophobicContact CG-CD1 4.04Å; L186-L190 HydrophobicContact CG-CG 4.47Å; L186-L190 WeakPolarHBondContact O-CB 3.37Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.44Å; L186-I227 HydrophobicContact CB-CD1 4.2Å; L186-I227 HydrophobicContact CD2-CD1 4.04Å; L186-I227 HydrophobicContact CD2-CG1 4.5Å; L186-I227 HydrophobicContact CD2-CG2 3.82Å; L186-I227 HydrophobicContact CG-CD1 4.06Å
187Q92.8Very high90Very high22 Ų2239.7 Ų39.710%0.10322%0.215CC..Hα-helixtrans-57.7-50.1177.6-173.9-177.6-4.700111.8V183 S189 A191 E226 I227 Y230V183-Q187 VanDerWaalsContact O-CB 3.25Å; V183-Q187 WeakPolarHBondContact O-CB 3.29Å; V183-Q187 PolarHBondContact O-N 3.34Å; Q187-S189 VanDerWaalsContact C-N 3.33Å; Q187-S189 PolarHBondContact O-N 3.4Å; Q187-A191 WeakPolarHBondContact O-CB 3.49Å; Q187-A191 PolarHBondContact O-N 3.21Å; Q187-E226 PolarHBondContact NE2-OE2 3.14Å; Q187-E226 VanDerWaalsContact NE2-OE2 3.12Å; Q187-I227 HydrophobicContact CB-CD1 3.9Å; Q187-Y230 HydrophobicContact CG-CD2 3.53Å; Q187-Y230 HydrophobicContact CG-CE2 3.46Å; Q187-Y230 VanDerWaalsContact CG-CE2 3.46Å; Q187-Y230 HydrophobicContact CG-CG 4.31Å
188R94.5Very high89.8Confident62 Ų6238.3 Ų38.323%0.23421%0.207CC..Hα-helixtrans-67.5-34.6178.5-64.4-65.4176.3-87.31112.1L147 T148 S184 I185 L186 A191 I192L147-R188 HydrophobicContact CB-CB 3.78Å; L147-R188 HydrophobicContact CB-CG 4.41Å; L147-R188 HydrophobicContact CD1-CB 4.24Å; T148-R188 PolarHBondContact OG1-NE 3.04Å; T148-R188 VanDerWaalsContact OG1-NE 3.09Å; S184-R188 VanDerWaalsContact O-CG 3.29Å; S184-R188 WeakPolarHBondContact O-CG 3.5Å; S184-R188 PolarHBondContact O-N 3.04Å; I185-R188 PolarHBondContact O-N 3.27Å; L186-R188 PolarHBondContact O-N 2.89Å; R188-A191 PolarHBondContact O-N 3.05Å; R188-I192 WeakPolarHBondContact O-CB 3.23Å; R188-I192 WeakPolarHBondContact O-CD1 3.3Å; R188-I192 WeakPolarHBondContact O-CG1 3.47Å; R188-I192 PolarHBondContact O-N 3.04Å
189S95.9Very high89.7Confident0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-66.5-47.4177.4-590000111.8I185 L186 Q187 A191 I192 L193I185-S189 VanDerWaalsContact O-CB 3.27Å; I185-S189 WeakPolarHBondContact O-CB 2.89Å; I185-S189 PolarHBondContact O-N 3.38Å; I185-S189 PolarHBondContact O-OG 3.48Å; L186-S189 PolarHBondContact O-N 3.04Å; Q187-S189 VanDerWaalsContact C-N 3.33Å; Q187-S189 PolarHBondContact O-N 3.4Å; S189-A191 VanDerWaalsContact C-N 3.32Å; S189-A191 PolarHBondContact O-N 3.21Å; S189-I192 PolarHBondContact O-N 3.48Å; S189-L193 WeakPolarHBondContact O-CG 3.4Å; S189-L193 PolarHBondContact O-N 3.27Å
190L95.9Very high90.2Very high0 Ų032.2 Ų32.20%017%0.171CC..Hα-helixtrans-58.4-46174.1-72.2168.7000111V176 L186 L193 E194 L216 I227 A231 L234V176-L190 HydrophobicContact CG1-CD2 3.78Å; V176-L190 HydrophobicContact CG2-CD2 4.04Å; V176-L190 HydrophobicContact CG2-CG 4.25Å; L186-L190 HydrophobicContact CD1-CD1 4.14Å; L186-L190 HydrophobicContact CD1-CG 4.14Å; L186-L190 HydrophobicContact CG-CD1 4.04Å; L186-L190 HydrophobicContact CG-CG 4.47Å; L186-L190 WeakPolarHBondContact O-CB 3.37Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.44Å; L190-L193 PolarHBondContact O-N 3.47Å; L190-E194 WeakPolarHBondContact O-CB 3.47Å; L190-E194 PolarHBondContact O-N 3.08Å; L190-L216 HydrophobicContact CD2-CD2 3.84Å; L190-I227 HydrophobicContact CD1-CG2 4.34Å; L190-A231 HydrophobicContact CD1-CB 4.39Å; L190-L234 HydrophobicContact CD2-CD2 3.84Å
191A94.5Very high90.7Very high2 Ų228.2 Ų28.22%0.01715%0.15CC..Hα-helixtrans-56.4-59.1174.400000110.1L151 Q187 R188 S189 L193 E194 S195 Y230 R565L151-A191 HydrophobicContact CD2-CB 3.77Å; Q187-A191 WeakPolarHBondContact O-CB 3.49Å; Q187-A191 PolarHBondContact O-N 3.21Å; R188-A191 PolarHBondContact O-N 3.05Å; S189-A191 VanDerWaalsContact C-N 3.32Å; S189-A191 PolarHBondContact O-N 3.21Å; A191-L193 VanDerWaalsContact C-N 3.27Å; A191-L193 PolarHBondContact O-N 3.16Å; A191-L193 VanDerWaalsContact O-N 3.16Å; A191-E194 PolarHBondContact O-N 3.29Å; A191-S195 PolarHBondContact O-N 2.98Å; A191-Y230 HydrophobicContact CB-CD1 3.82Å; A191-Y230 HydrophobicContact CB-CE1 3.65Å; A191-R565 PolarHBondContact O-NH1 3.22Å; A191-R565 PolarHBondContact O-NH2 3.43Å
192I96Very high90.7Very high0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-51-45.8-177.7-72.8164.7000111.9L147 F150 L151 W161 F168 I172 R188 S189 S195 M196L147-I192 HydrophobicContact CB-CD1 4.07Å; L147-I192 HydrophobicContact CD2-CD1 3.87Å; L147-I192 HydrophobicContact CG-CD1 4.47Å; F150-I192 HydrophobicContact CD1-CD1 3.98Å; F150-I192 HydrophobicContact CD1-CG1 4.31Å; F150-I192 HydrophobicContact CE1-CG2 4.23Å; L151-I192 HydrophobicContact CB-CG1 4.07Å; L151-I192 HydrophobicContact CD1-CG1 4.03Å; L151-I192 HydrophobicContact CD2-CG1 4.49Å; L151-I192 HydrophobicContact CG-CG1 4.43Å; W161-I192 HydrophobicContact CZ3-CG2 4.25Å; F168-I192 HydrophobicContact CE1-CG2 4.2Å; I172-I192 HydrophobicContact CD1-CD1 4.45Å; I172-I192 HydrophobicContact CG1-CG2 4.46Å; I172-I192 HydrophobicContact CG2-CB 4.45Å; I172-I192 HydrophobicContact CG2-CG2 4.29Å; R188-I192 WeakPolarHBondContact O-CB 3.23Å; R188-I192 WeakPolarHBondContact O-CD1 3.3Å; R188-I192 WeakPolarHBondContact O-CG1 3.47Å; R188-I192 PolarHBondContact O-N 3.04Å; S189-I192 PolarHBondContact O-N 3.48Å; I192-S195 WeakPolarHBondContact O-CB 3.33Å; I192-S195 PolarHBondContact O-N 2.73Å; I192-M196 HydrophobicContact CG2-CE 3.58Å; I192-M196 HydrophobicContact CG2-SD 4.19Å; I192-M196 WeakPolarHBondContact O-CG 3.25Å; I192-M196 PolarHBondContact O-N 3.32Å
193L95.9Very high90.7Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-63.8-42178.9-66.7172000112.8I172 V176 S189 L190 A191 S195 M196 V197 V207 I211 L234I172-L193 HydrophobicContact CB-CD2 4.31Å; I172-L193 HydrophobicContact CG2-CD1 4.14Å; I172-L193 HydrophobicContact CG2-CD2 3.83Å; I172-L193 HydrophobicContact CG2-CG 3.67Å; V176-L193 HydrophobicContact CB-CD1 4.39Å; V176-L193 HydrophobicContact CG2-CD1 3.67Å; S189-L193 WeakPolarHBondContact O-CG 3.4Å; S189-L193 PolarHBondContact O-N 3.27Å; L190-L193 PolarHBondContact O-N 3.47Å; A191-L193 VanDerWaalsContact C-N 3.27Å; A191-L193 PolarHBondContact O-N 3.16Å; A191-L193 VanDerWaalsContact O-N 3.16Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 3.33Å; L193-M196 HydrophobicContact CD2-SD 4.21Å; L193-M196 WeakPolarHBondContact O-CB 3.48Å; L193-M196 PolarHBondContact O-N 3.44Å; L193-V197 WeakPolarHBondContact O-CG2 3.39Å; L193-V197 PolarHBondContact O-N 2.88Å; L193-V207 HydrophobicContact CB-CG1 4.31Å; L193-V207 HydrophobicContact CD2-CG1 4.21Å; L193-V207 HydrophobicContact CD2-CG2 3.95Å; L193-I211 HydrophobicContact CD1-CD1 4.33Å; L193-I211 HydrophobicContact CD1-CG1 4.02Å; L193-L234 HydrophobicContact CB-CD1 4.08Å; L193-L234 HydrophobicContact CB-CD2 4.13Å; L193-L234 HydrophobicContact CD1-CD2 4.3Å
194E94.6Very high90.6Very high22 Ų2223 Ų2310%0.10312%0.122CC..Hα-helixtrans-64.9-35.6176.8176.2-138.5128.900110.4L190 A191 M196 V197 L198 A233 L234 A237 R565L190-E194 WeakPolarHBondContact O-CB 3.47Å; L190-E194 PolarHBondContact O-N 3.08Å; A191-E194 PolarHBondContact O-N 3.29Å; E194-M196 PolarHBondContact O-N 3.43Å; E194-V197 PolarHBondContact O-N 3Å; E194-L198 HydrophobicContact CG-CD1 4.16Å; E194-L198 WeakPolarHBondContact O-CB 3.29Å; E194-L198 VanDerWaalsContact O-CG 3.31Å; E194-L198 WeakPolarHBondContact O-CG 3.45Å; E194-L198 PolarHBondContact O-N 3.4Å; E194-A233 HydrophobicContact CG-CB 4.45Å; E194-A233 VanDerWaalsContact OE2-CB 3.29Å; E194-A233 WeakPolarHBondContact OE2-CB 3.05Å; E194-L234 HydrophobicContact CB-CB 4.09Å; E194-L234 HydrophobicContact CB-CD1 3.87Å; E194-A237 HydrophobicContact CB-CB 4.48Å; E194-A237 HydrophobicContact CG-CB 3.65Å; E194-R565 VanDerWaalsContact C-NH2 3.26Å; E194-R565 IonicContact OE1-CZ 2.66Å; E194-R565 IonicContact OE1-NE 3.39Å; E194-R565 IonicContact OE1-NH2 4Å; E194-R565 PolarHBondContact OE1-NH2 3.44Å; E194-R565 IonicContact OE2-NH2 3.27Å; E194-R565 PolarHBondContact OE2-NH2 2.89Å
195S91.7Very high90.3Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-63.1-46.2174.3-113.90000110.6W161 A191 I192 L193 V197 L198 N199 R565W161-S195 VanDerWaalsContact CH2-CB 3.48Å; W161-S195 WeakPolarHBondContact CZ2-OG 3.42Å; A191-S195 PolarHBondContact O-N 2.98Å; I192-S195 WeakPolarHBondContact O-CB 3.33Å; I192-S195 PolarHBondContact O-N 2.73Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 3.33Å; S195-V197 VanDerWaalsContact C-N 3.31Å; S195-V197 PolarHBondContact O-N 2.57Å; S195-L198 PolarHBondContact O-N 2.91Å; S195-N199 WeakPolarHBondContact O-CB 3.33Å; S195-N199 PolarHBondContact O-N 2.82Å; S195-N199 PolarHBondContact O-ND2 2.98Å; S195-R565 VanDerWaalsContact CA-CZ 3.45Å; S195-R565 VanDerWaalsContact CB-CZ 3.41Å; S195-R565 WeakPolarHBondContact OG-CD 3.38Å; S195-R565 PolarHBondContact OG-NE 2.81Å; S195-R565 PolarHBondContact OG-NH1 3.13Å
196M91.8Very high90Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-57.9-46.6178.3-71.8173.4173.600111.1W161 I164 F168 I169 I192 L193 E194 N199 S200 L203 V207W161-M196 HydrophobicContact CD2-CG 4.47Å; W161-M196 HydrophobicContact CE3-CB 4.45Å; W161-M196 HydrophobicContact CE3-CE 4.25Å; W161-M196 HydrophobicContact CE3-CG 3.47Å; W161-M196 VanDerWaalsContact CE3-CG 3.47Å; W161-M196 HydrophobicContact CZ3-CE 4.03Å; W161-M196 HydrophobicContact CZ3-CG 3.64Å; I164-M196 HydrophobicContact CB-CE 4.48Å; I164-M196 HydrophobicContact CG2-CE 3.82Å; F168-M196 HydrophobicContact CD1-CE 3.77Å; F168-M196 HydrophobicContact CE1-CE 3.62Å; I169-M196 HydrophobicContact CG1-CE 4.19Å; I169-M196 HydrophobicContact CG1-SD 4.04Å; I192-M196 HydrophobicContact CG2-CE 3.58Å; I192-M196 HydrophobicContact CG2-SD 4.19Å; I192-M196 WeakPolarHBondContact O-CG 3.25Å; I192-M196 PolarHBondContact O-N 3.32Å; L193-M196 HydrophobicContact CD2-SD 4.21Å; L193-M196 WeakPolarHBondContact O-CB 3.48Å; L193-M196 PolarHBondContact O-N 3.44Å; E194-M196 PolarHBondContact O-N 3.43Å; M196-N199 PolarHBondContact O-N 3.11Å; M196-S200 PolarHBondContact O-N 2.8Å; M196-S200 VanDerWaalsContact O-N 3.08Å; M196-L203 HydrophobicContact CB-CB 4.16Å; M196-L203 HydrophobicContact CB-CD1 3.93Å; M196-L203 HydrophobicContact CG-CD1 4.1Å; M196-V207 HydrophobicContact CB-CG2 4.32Å; M196-V207 HydrophobicContact SD-CG2 4.48Å
197V90Very high89.9Confident0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-62.1-47178.9170.90000111.2L193 E194 S195 N199 Y204 V207 L234 A237 L238 K241L193-V197 WeakPolarHBondContact O-CG2 3.39Å; L193-V197 PolarHBondContact O-N 2.88Å; E194-V197 PolarHBondContact O-N 3Å; S195-V197 VanDerWaalsContact C-N 3.31Å; S195-V197 PolarHBondContact O-N 2.57Å; V197-N199 VanDerWaalsContact C-N 3.33Å; V197-N199 PolarHBondContact O-N 2.94Å; V197-Y204 HydrophobicContact CG1-CD2 3.95Å; V197-V207 HydrophobicContact CG2-CB 3.92Å; V197-V207 HydrophobicContact CG2-CG1 3.85Å; V197-V207 HydrophobicContact CG2-CG2 4.2Å; V197-L234 HydrophobicContact CG2-CD1 4.33Å; V197-A237 HydrophobicContact CB-CB 4.28Å; V197-A237 HydrophobicContact CG1-CB 3.86Å; V197-A237 VanDerWaalsContact CG1-O 3.31Å; V197-A237 WeakPolarHBondContact CG1-O 3.38Å; V197-L238 HydrophobicContact CG1-CD2 4.43Å; V197-L238 HydrophobicContact CG2-CD2 3.92Å; V197-K241 HydrophobicContact CG1-CB 3.96Å; V197-K241 HydrophobicContact CG1-CG 4.03Å; V197-K241 WeakPolarHBondContact O-CG 3.42Å
198L86.3Confident89.6Confident26 Ų2625.5 Ų25.514%0.13613%0.128CC..Hα-helixtrans-67.7-32.9-177.3-70.2176000113E194 S195 A237 L240 K241E194-L198 HydrophobicContact CG-CD1 4.16Å; E194-L198 WeakPolarHBondContact O-CB 3.29Å; E194-L198 VanDerWaalsContact O-CG 3.31Å; E194-L198 WeakPolarHBondContact O-CG 3.45Å; E194-L198 PolarHBondContact O-N 3.4Å; S195-L198 PolarHBondContact O-N 2.91Å; L198-A237 HydrophobicContact CD1-CB 4.48Å; L198-A237 HydrophobicContact CD2-CB 3.77Å; L198-A237 HydrophobicContact CG-CB 3.86Å; L198-L240 HydrophobicContact CD2-CD2 4.19Å; L198-K241 WeakPolarHBondContact O-CE 3.46Å; L198-K241 PolarHBondContact O-NZ 3.32Å
199N82.4Confident89.2Confident95 Ų9529.2 Ų29.251%0.50815%0.148SC..Hα-helixtrans-93.6-18.2-173.5-71.5-76.5000114.8W161 S195 M196 V197W161-N199 HydrophobicContact CB-CB 4.46Å; W161-N199 VanDerWaalsContact CD1-CB 3.5Å; W161-N199 HydrophobicContact CG-CB 4.01Å; S195-N199 WeakPolarHBondContact O-CB 3.33Å; S195-N199 PolarHBondContact O-N 2.82Å; S195-N199 PolarHBondContact O-ND2 2.98Å; M196-N199 PolarHBondContact O-N 3.11Å; V197-N199 VanDerWaalsContact C-N 3.33Å; V197-N199 PolarHBondContact O-N 2.94Å
200S82.3Confident88.8Confident10 Ų1031.4 Ų31.47%0.0716%0.16CC..  trans-148132.1179.3174.60000114.4D162 M196 S202 L203 Y204D162-S200 WeakPolarHBondContact OD1-CB 3.21Å; D162-S200 PolarHBondContact OD1-OG 3.48Å; M196-S200 PolarHBondContact O-N 2.8Å; M196-S200 VanDerWaalsContact O-N 3.08Å; S200-S202 VanDerWaalsContact C-N 3.34Å; S200-S202 PolarHBondContact OG-N 2.81Å; S200-S202 PolarHBondContact OG-OG 3.45Å; S200-S202 VanDerWaalsContact OG-OG 3.08Å; S200-L203 PolarHBondContact O-N 3.41Å; S200-L203 PolarHBondContact OG-N 3.4Å; S200-Y204 PolarHBondContact O-N 3.34Å
201H79.6Confident88.4Confident98 Ų9831.6 Ų31.645%0.45416%0.161SC..Hα-helixtrans-68.8-32.4174.2-167.673000112.2L203 Y204 H205H201-L203 VanDerWaalsContact C-N 3.32Å; H201-Y204 WeakPolarHBondContact O-CB 3.31Å; H201-Y204 PolarHBondContact O-N 3.24Å; H201-H205 AromaticContact CD2-CD2 3.91Å; H201-H205 AromaticContact CD2-NE2 3.63Å; H201-H205 AromaticContact CE1-NE2 3.69Å; H201-H205 AromaticContact NE2-CD2 3.79Å; H201-H205 AromaticContact NE2-NE2 3.04Å; H201-H205 PolarHBondContact NE2-NE2 3.42Å; H201-H205 PolarHBondContact O-CD2 3.37Å; H201-H205 PolarHBondContact O-N 2.94Å
202S83.9Confident87.8Confident54 Ų5434.4 Ų34.438%0.37818%0.178SC..Hα-helixtrans-66.6-38.517784.50000111D162 S200D162-S202 PolarHBondContact OD1-OG 3.34Å; S200-S202 VanDerWaalsContact C-N 3.34Å; S200-S202 PolarHBondContact OG-N 2.81Å; S200-S202 PolarHBondContact OG-OG 3.45Å; S200-S202 VanDerWaalsContact OG-OG 3.08Å
203L88.1Confident87Confident0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-74.1-34177.9-60.9-177.3000112.4W161 I169 M196 S200 H201 H205 R206 V207W161-L203 HydrophobicContact CB-CD1 3.6Å; W161-L203 WeakPolarHBondContact O-CD1 3.35Å; I169-L203 HydrophobicContact CD1-CD2 3.76Å; M196-L203 HydrophobicContact CB-CB 4.16Å; M196-L203 HydrophobicContact CB-CD1 3.93Å; M196-L203 HydrophobicContact CG-CD1 4.1Å; S200-L203 PolarHBondContact O-N 3.41Å; S200-L203 PolarHBondContact OG-N 3.4Å; H201-L203 VanDerWaalsContact C-N 3.32Å; L203-H205 VanDerWaalsContact C-N 3.29Å; L203-H205 PolarHBondContact O-N 2.99Å; L203-R206 PolarHBondContact O-N 2.75Å; L203-R206 VanDerWaalsContact O-N 3.12Å; L203-V207 WeakPolarHBondContact O-CG2 3.36Å; L203-V207 PolarHBondContact O-N 2.96Å
204Y87.9Confident86.2Confident13 Ų1336.6 Ų36.65%0.05120%0.197CC..Hα-helixtrans-50.1-51.5171.1163.3-94.3000111.3V197 S200 H201 R206 V207 A208 L238 K241 A242V197-Y204 HydrophobicContact CG1-CD2 3.95Å; S200-Y204 PolarHBondContact O-N 3.34Å; H201-Y204 WeakPolarHBondContact O-CB 3.31Å; H201-Y204 PolarHBondContact O-N 3.24Å; Y204-R206 VanDerWaalsContact C-N 3.26Å; Y204-R206 PolarHBondContact O-N 2.9Å; Y204-V207 PolarHBondContact O-N 3.02Å; Y204-A208 HydrophobicContact CE2-CB 4.41Å; Y204-A208 VanDerWaalsContact O-CB 3.25Å; Y204-A208 WeakPolarHBondContact O-CB 3.45Å; Y204-A208 PolarHBondContact O-N 2.77Å; Y204-L238 HydrophobicContact CD2-CD2 4.05Å; Y204-L238 HydrophobicContact CE2-CD2 3.9Å; Y204-L238 WeakPolarHBondContact CE2-O 3.24Å; Y204-K241 HydrophobicContact CD2-CB 3.94Å; Y204-K241 HydrophobicContact CG-CB 4.31Å; Y204-A242 HydrophobicContact CE2-CB 4.41Å; Y204-A242 WeakPolarHBondContact OH-CA 3.39Å; Y204-A242 WeakPolarHBondContact OH-CB 3.41Å
205H84.6Confident85.6Confident51 Ų5139 Ų3924%0.23621%0.209CC..Hα-helixtrans-61.8-35.9-178.7-74-70.8000112.5H201 L203 Q209H201-H205 AromaticContact CD2-CD2 3.91Å; H201-H205 AromaticContact CD2-NE2 3.63Å; H201-H205 AromaticContact CE1-NE2 3.69Å; H201-H205 AromaticContact NE2-CD2 3.79Å; H201-H205 AromaticContact NE2-NE2 3.04Å; H201-H205 PolarHBondContact NE2-NE2 3.42Å; H201-H205 PolarHBondContact O-CD2 3.37Å; H201-H205 PolarHBondContact O-N 2.94Å; L203-H205 VanDerWaalsContact C-N 3.29Å; L203-H205 PolarHBondContact O-N 2.99Å; H205-Q209 VanDerWaalsContact O-CG 3.26Å; H205-Q209 WeakPolarHBondContact O-CG 3.49Å; H205-Q209 PolarHBondContact O-N 2.98Å
206R88Confident85.5Confident75 Ų7539 Ų3928%0.28321%0.209SC..Hα-helixtrans-70.3-48.3177.8-65.7174178.7-172.73.3111.4L166 I169 L203 Y204 A208 Q209 D210L166-R206 HydrophobicContact CD2-CG 3.94Å; I169-R206 HydrophobicContact CD1-CB 4.32Å; L203-R206 PolarHBondContact O-N 2.75Å; L203-R206 VanDerWaalsContact O-N 3.12Å; Y204-R206 VanDerWaalsContact C-N 3.26Å; Y204-R206 PolarHBondContact O-N 2.9Å; R206-A208 VanDerWaalsContact C-N 3.34Å; R206-A208 PolarHBondContact O-N 2.84Å; R206-Q209 WeakPolarHBondContact O-CB 3.49Å; R206-Q209 PolarHBondContact O-N 3.33Å; R206-D210 PolarHBondContact O-N 2.88Å
207V90.4Very high85.2Confident0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-62.5-42.7178174.80000110.7I169 L193 M196 V197 L203 Y204 Q209 D210 I211 L238I169-V207 HydrophobicContact CG2-CG2 4.22Å; L193-V207 HydrophobicContact CB-CG1 4.31Å; L193-V207 HydrophobicContact CD2-CG1 4.21Å; L193-V207 HydrophobicContact CD2-CG2 3.95Å; M196-V207 HydrophobicContact CB-CG2 4.32Å; M196-V207 HydrophobicContact SD-CG2 4.48Å; V197-V207 HydrophobicContact CG2-CB 3.92Å; V197-V207 HydrophobicContact CG2-CG1 3.85Å; V197-V207 HydrophobicContact CG2-CG2 4.2Å; L203-V207 WeakPolarHBondContact O-CG2 3.36Å; L203-V207 PolarHBondContact O-N 2.96Å; Y204-V207 PolarHBondContact O-N 3.02Å; V207-Q209 PolarHBondContact O-N 3.38Å; V207-D210 PolarHBondContact O-N 2.75Å; V207-D210 VanDerWaalsContact O-N 3.16Å; V207-I211 HydrophobicContact CG1-CB 4.4Å; V207-I211 HydrophobicContact CG1-CG1 4.37Å; V207-I211 WeakPolarHBondContact O-CB 3.22Å; V207-I211 PolarHBondContact O-N 3.48Å; V207-L238 HydrophobicContact CG1-CD2 4.44Å
208A86.7Confident85.1Confident27 Ų2741.2 Ų41.222%0.22323%0.229CC..Hα-helixtrans-66.2-20.3178.300000113.9Y204 R206 L238Y204-A208 HydrophobicContact CE2-CB 4.41Å; Y204-A208 VanDerWaalsContact O-CB 3.25Å; Y204-A208 WeakPolarHBondContact O-CB 3.45Å; Y204-A208 PolarHBondContact O-N 2.77Å; R206-A208 VanDerWaalsContact C-N 3.34Å; R206-A208 PolarHBondContact O-N 2.84Å; A208-L238 HydrophobicContact CB-CD2 4.39Å
209Q87.1Confident85.4Confident141 Ų14140.9 Ų40.966%0.65923%0.227SC*.Hα-helixtrans-76.3-37.3172.2-77.3170.45.500112.2H205 R206 V207H205-Q209 VanDerWaalsContact O-CG 3.26Å; H205-Q209 WeakPolarHBondContact O-CG 3.49Å; H205-Q209 PolarHBondContact O-N 2.98Å; R206-Q209 WeakPolarHBondContact O-CB 3.49Å; R206-Q209 PolarHBondContact O-N 3.33Å; V207-Q209 PolarHBondContact O-N 3.38Å
210D87.9Confident85.9Confident46 Ų4636.4 Ų36.425%0.24620%0.202CC..Hα-helixtrans-95.3-20.1-174.5-68.4-40.4000113.4K170 A173 N177 R206 V207K170-D210 WeakPolarHBondContact CG-OD2 3.37Å; A173-D210 HydrophobicContact CB-CB 3.67Å; N177-D210 PolarHBondContact ND2-O 2.75Å; R206-D210 PolarHBondContact O-N 2.88Å; V207-D210 PolarHBondContact O-N 2.75Å; V207-D210 VanDerWaalsContact O-N 3.16Å
211I87.3Confident86.3Confident3 Ų340.5 Ų40.52%0.01522%0.22CC..  trans-124.6120.4-179-60.4-64.1000110.8A173 V176 N177 L193 V207 L216 L234A173-I211 HydrophobicContact CB-CD1 3.75Å; A173-I211 HydrophobicContact CB-CG1 3.92Å; V176-I211 HydrophobicContact CB-CD1 3.92Å; V176-I211 HydrophobicContact CG1-CD1 3.93Å; N177-I211 WeakPolarHBondContact OD1-CD1 3.49Å; L193-I211 HydrophobicContact CD1-CD1 4.33Å; L193-I211 HydrophobicContact CD1-CG1 4.02Å; V207-I211 HydrophobicContact CG1-CB 4.4Å; V207-I211 HydrophobicContact CG1-CG1 4.37Å; V207-I211 WeakPolarHBondContact O-CB 3.22Å; V207-I211 PolarHBondContact O-N 3.48Å; I211-L216 HydrophobicContact CG2-CD1 3.9Å; I211-L216 HydrophobicContact CG2-CD2 3.82Å; I211-L216 HydrophobicContact CG2-CG 3.79Å; I211-L234 HydrophobicContact CG2-CD2 4.48Å
212T81.4Confident86.8Confident61 Ų6138.5 Ų38.537%0.37422%0.215SC..  trans-103.3152.4172.573.10000111G214 Q215 L216T212-G214 PolarHBondContact O-N 2.69Å; T212-G214 PolarHBondContact OG1-N 3.16Å; T212-Q215 PolarHBondContact O-N 2.95Å; T212-Q215 PolarHBondContact OG1-N 3.43Å; T212-Q215 PolarHBondContact OG1-OE1 3Å; T212-L216 PolarHBondContact O-N 2.83Å
213V78.9Confident87Confident15 Ų1540.6 Ų40.69%0.09123%0.23CC..Hα-helixtrans-54.5-28.1171.8178.50000112.1Q215 L216 I217 F239 T265 L271V213-Q215 PolarHBondContact O-N 3.02Å; V213-L216 PolarHBondContact O-N 3.09Å; V213-I217 HydrophobicContact CG1-CD1 4.26Å; V213-I217 VanDerWaalsContact O-CG1 3.31Å; V213-I217 WeakPolarHBondContact O-CG1 3.3Å; V213-I217 PolarHBondContact O-N 2.77Å; V213-F239 HydrophobicContact CG2-CE1 4.44Å; V213-T265 HydrophobicContact CB-CG2 3.57Å; V213-T265 HydrophobicContact CG1-CG2 4.05Å; V213-T265 HydrophobicContact CG2-CG2 3.67Å; V213-L271 HydrophobicContact CG1-CD2 3.96Å
214G78.5Confident87.2Confident31 Ų3142.8 Ų42.832%0.3224%0.241SC..Hα-helixtrans-65.4-36.9177.800000113.5T212T212-G214 PolarHBondContact O-N 2.69Å; T212-G214 PolarHBondContact OG1-N 3.16Å
215Q83.4Confident87.3Confident72 Ų7242.9 Ų42.934%0.33624%0.242SC..Hα-helixtrans-72.7-38.2175.7-71.8152-46.100110.9N177 T212 V213 I217 G218N177-Q215 VanDerWaalsContact CG-NE2 3.26Å; N177-Q215 PolarHBondContact ND2-NE2 3.2Å; N177-Q215 PolarHBondContact OD1-NE2 3.24Å; N177-Q215 PolarHBondContact OD1-OE1 2.95Å; T212-Q215 PolarHBondContact O-N 2.95Å; T212-Q215 PolarHBondContact OG1-N 3.43Å; T212-Q215 PolarHBondContact OG1-OE1 3Å; V213-Q215 PolarHBondContact O-N 3.02Å; Q215-I217 VanDerWaalsContact C-N 3.26Å; Q215-I217 PolarHBondContact O-N 3.48Å; Q215-G218 PolarHBondContact O-N 3.43Å
216L88.3Confident87.6Confident0 Ų044.5 Ų44.50%025%0.25CS..Hα-helixtrans-66.3-27.9177.9-61-179.5000113.1V176 L190 I211 T212 V213 G218 H219 L220 L234 I235 L238V176-L216 HydrophobicContact CG1-CD2 3.85Å; L190-L216 HydrophobicContact CD2-CD2 3.84Å; I211-L216 HydrophobicContact CG2-CD1 3.9Å; I211-L216 HydrophobicContact CG2-CD2 3.82Å; I211-L216 HydrophobicContact CG2-CG 3.79Å; T212-L216 PolarHBondContact O-N 2.83Å; V213-L216 PolarHBondContact O-N 3.09Å; L216-G218 VanDerWaalsContact C-N 3.3Å; L216-G218 PolarHBondContact O-N 2.81Å; L216-H219 WeakPolarHBondContact O-CB 3.49Å; L216-H219 PolarHBondContact O-N 2.96Å; L216-H219 VanDerWaalsContact O-N 3.12Å; L216-L220 PolarHBondContact O-N 3.42Å; L216-L234 HydrophobicContact CD1-CB 4.47Å; L216-L234 HydrophobicContact CD1-CD2 3.96Å; L216-L234 HydrophobicContact CD1-CG 3.96Å; L216-L234 HydrophobicContact CD2-CD2 3.8Å; L216-I235 HydrophobicContact CB-CD1 4.15Å; L216-I235 HydrophobicContact CB-CG1 4.2Å; L216-I235 HydrophobicContact CD1-CG1 3.67Å; L216-L238 HydrophobicContact CD1-CD1 4.1Å
217I87Confident87.8Confident13 Ų1341.1 Ų41.17%0.06724%0.238CC..Hα-helixtrans-59.8-38.9176-80.8163.8000112.4V213 Q215 H219 L220 Q221 K269 L271 I274V213-I217 HydrophobicContact CG1-CD1 4.26Å; V213-I217 VanDerWaalsContact O-CG1 3.31Å; V213-I217 WeakPolarHBondContact O-CG1 3.3Å; V213-I217 PolarHBondContact O-N 2.77Å; Q215-I217 VanDerWaalsContact C-N 3.26Å; Q215-I217 PolarHBondContact O-N 3.48Å; I217-H219 PolarHBondContact O-N 3.21Å; I217-L220 WeakPolarHBondContact O-CB 3.38Å; I217-L220 PolarHBondContact O-N 3.04Å; I217-Q221 PolarHBondContact O-N 2.81Å; I217-K269 HydrophobicContact CD1-CB 3.4Å; I217-K269 VanDerWaalsContact CD1-CB 3.4Å; I217-K269 HydrophobicContact CD1-CD 4.29Å; I217-K269 HydrophobicContact CD1-CG 4.47Å; I217-K269 VanDerWaalsContact CD1-O 3.28Å; I217-K269 WeakPolarHBondContact CD1-O 3.2Å; I217-L271 HydrophobicContact CD1-CB 4.22Å; I217-L271 HydrophobicContact CG1-CB 4.47Å; I217-L271 HydrophobicContact CG1-CD1 4Å; I217-I274 HydrophobicContact CB-CD1 4.48Å; I217-I274 HydrophobicContact CG2-CD1 3.17Å
218G88.1Confident88Confident35 Ų3541.7 Ų41.736%0.36124%0.24SC..Hα-helixtrans-57.7-35.5176.900000112.1Q215 L216 L220 Q221Q215-G218 PolarHBondContact O-N 3.43Å; L216-G218 VanDerWaalsContact C-N 3.3Å; L216-G218 PolarHBondContact O-N 2.81Å; G218-L220 VanDerWaalsContact C-N 3.28Å; G218-L220 PolarHBondContact O-N 2.84Å; G218-Q221 PolarHBondContact O-N 3.48Å
219H91.8Very high88.4Confident19 Ų1941.1 Ų41.19%0.08823%0.234CC..Hα-helixtrans-74.4-14.9177.6-57.9-44.8000113.7V176 L216 I217 V222 I227 A231V176-H219 PolarHBondContact O-CE1 3.44Å; V176-H219 VanDerWaalsContact O-CE1 3.3Å; V176-H219 PolarHBondContact O-NE2 3.29Å; L216-H219 WeakPolarHBondContact O-CB 3.49Å; L216-H219 PolarHBondContact O-N 2.96Å; L216-H219 VanDerWaalsContact O-N 3.12Å; I217-H219 PolarHBondContact O-N 3.21Å; H219-V222 VanDerWaalsContact O-CG2 3.29Å; H219-V222 WeakPolarHBondContact O-CG2 3.47Å; H219-I227 HydrophobicContact CB-CG2 4Å; H219-A231 HydrophobicContact CB-CB 3.97Å
220L91.9Very high88.8Confident0 Ų037.9 Ų37.90%022%0.216CC..Hα-helixtrans-82.4-21.4172.6-59.2179.4000112.4L216 I217 G218 V222 Q228 A231 I232 I235 L271 I274 I275 H278L216-L220 PolarHBondContact O-N 3.42Å; I217-L220 WeakPolarHBondContact O-CB 3.38Å; I217-L220 PolarHBondContact O-N 3.04Å; G218-L220 VanDerWaalsContact C-N 3.28Å; G218-L220 PolarHBondContact O-N 2.84Å; L220-V222 VanDerWaalsContact C-N 3.34Å; L220-Q228 HydrophobicContact CD2-CB 4.49Å; L220-Q228 PolarHBondContact O-NE2 2.77Å; L220-A231 HydrophobicContact CD2-CB 3.73Å; L220-A231 HydrophobicContact CG-CB 4.49Å; L220-I232 HydrophobicContact CD2-CD1 4.17Å; L220-I232 HydrophobicContact CD2-CG1 3.49Å; L220-I232 VanDerWaalsContact CD2-CG1 3.49Å; L220-I235 HydrophobicContact CD1-CD1 4.2Å; L220-L271 HydrophobicContact CD1-CD1 3.27Å; L220-I274 HydrophobicContact CB-CG2 3.77Å; L220-I274 HydrophobicContact CD1-CG2 4.45Å; L220-I275 HydrophobicContact CD1-CG1 4.13Å; L220-H278 VanDerWaalsContact O-CB 3.31Å; L220-H278 WeakPolarHBondContact O-CB 3.41Å
221Q90.9Very high89.1Confident96 Ų9635.7 Ų35.745%0.44921%0.205SC..SBendtrans-85.2-9-176.3-60.9-174.5-83.900113.4I217 G218 I274 H278I217-Q221 PolarHBondContact O-N 2.81Å; G218-Q221 PolarHBondContact O-N 3.48Å; Q221-I274 HydrophobicContact CG-CG2 3.8Å; Q221-H278 PolarHBondContact O-ND1 3.02Å
222V90.6Very high89.4Confident57 Ų5735.6 Ų35.635%0.34520%0.204SC..SBendtrans-74.6154.1175.6-51.60000111.4H219 L220 N224 I227 Q228H219-V222 VanDerWaalsContact O-CG2 3.29Å; H219-V222 WeakPolarHBondContact O-CG2 3.47Å; L220-V222 VanDerWaalsContact C-N 3.34Å; V222-N224 VanDerWaalsContact C-N 3.26Å; V222-N224 HydrophobicContact CG2-CB 4.33Å; V222-N224 PolarHBondContact O-N 2.6Å; V222-I227 HydrophobicContact CG2-CB 3.94Å; V222-I227 HydrophobicContact CG2-CG2 3.82Å; V222-Q228 HydrophobicContact CG2-CG 4.43Å; V222-Q228 PolarHBondContact O-NE2 2.85Å; V222-Q228 VanDerWaalsContact O-NE2 3.07Å
223S88.8Confident90Very high98 Ų9833 Ų3369%0.68519%0.189SC*.SBendtrans-76.2-9.4179.8-50.30000114.4Q225S223-Q225 PolarHBondContact O-N 3.43Å
224N90.9Very high90.8Very high45 Ų4532.3 Ų32.324%0.24119%0.185CC..  trans-84.1108.6-178.4-171.5-27.1000110.7V183 V222 E226 I227 Q228V183-N224 VanDerWaalsContact CG1-ND2 3.27Å; V183-N224 WeakPolarHBondContact CG1-ND2 3.39Å; V222-N224 VanDerWaalsContact C-N 3.26Å; V222-N224 HydrophobicContact CG2-CB 4.33Å; V222-N224 PolarHBondContact O-N 2.6Å; N224-E226 VanDerWaalsContact C-N 3.28Å; N224-E226 PolarHBondContact O-N 3.02Å; N224-E226 WeakPolarHBondContact OD1-CB 3.28Å; N224-E226 PolarHBondContact OD1-N 3.28Å; N224-I227 HydrophobicContact CB-CB 4.31Å; N224-I227 HydrophobicContact CB-CG1 4.04Å; N224-I227 PolarHBondContact O-N 3.5Å; N224-Q228 WeakPolarHBondContact O-CG 3.42Å; N224-Q228 PolarHBondContact O-N 2.95Å; N224-Q228 VanDerWaalsContact O-N 3.1Å
225Q90.8Very high91.4Very high15 Ų1530.9 Ų30.97%0.0717%0.17CC..Hα-helixtrans-62.6-29.9-178.6-172.3175.963.300113.7S223 Q228 T229 P285 K287 M290S223-Q225 PolarHBondContact O-N 3.43Å; Q225-Q228 PolarHBondContact O-N 3.19Å; Q225-T229 WeakPolarHBondContact O-CB 3.41Å; Q225-T229 PolarHBondContact O-N 2.75Å; Q225-T229 PolarHBondContact O-OG1 2.78Å; Q225-P285 PolarHBondContact NE2-O 3.47Å; Q225-K287 VanDerWaalsContact OE1-CD 3.25Å; Q225-M290 HydrophobicContact CG-CB 4.43Å; Q225-M290 HydrophobicContact CG-CE 4.41Å
226E91.1Very high91.8Very high86 Ų8627.7 Ų27.740%0.40216%0.155SC..Hα-helixtrans-66.7-46.1176.3-68-178.6-159.400110.4Q187 N224 Q228 T229 Y230Q187-E226 PolarHBondContact NE2-OE2 3.14Å; Q187-E226 VanDerWaalsContact NE2-OE2 3.12Å; N224-E226 VanDerWaalsContact C-N 3.28Å; N224-E226 PolarHBondContact O-N 3.02Å; N224-E226 WeakPolarHBondContact OD1-CB 3.28Å; N224-E226 PolarHBondContact OD1-N 3.28Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 2.95Å; E226-T229 WeakPolarHBondContact O-CA 3.49Å; E226-T229 WeakPolarHBondContact O-CB 3.5Å; E226-T229 PolarHBondContact O-N 3.34Å; E226-Y230 VanDerWaalsContact O-CD2 3.24Å; E226-Y230 WeakPolarHBondContact O-CD2 3.44Å; E226-Y230 PolarHBondContact O-N 2.63Å
227I92.9Very high91.8Very high4 Ų427.9 Ų27.92%0.02116%0.156CC..Hα-helixtrans-58.8-45.5175-61.6-58.7000111V183 L186 Q187 L190 H219 V222 N224 T229 Y230 A231V183-I227 HydrophobicContact CG1-CD1 4.01Å; V183-I227 HydrophobicContact CG1-CG1 4.09Å; L186-I227 HydrophobicContact CB-CD1 4.2Å; L186-I227 HydrophobicContact CD2-CD1 4.04Å; L186-I227 HydrophobicContact CD2-CG1 4.5Å; L186-I227 HydrophobicContact CD2-CG2 3.82Å; L186-I227 HydrophobicContact CG-CD1 4.06Å; Q187-I227 HydrophobicContact CB-CD1 3.9Å; L190-I227 HydrophobicContact CD1-CG2 4.34Å; H219-I227 HydrophobicContact CB-CG2 4Å; V222-I227 HydrophobicContact CG2-CB 3.94Å; V222-I227 HydrophobicContact CG2-CG2 3.82Å; N224-I227 HydrophobicContact CB-CB 4.31Å; N224-I227 HydrophobicContact CB-CG1 4.04Å; N224-I227 PolarHBondContact O-N 3.5Å; I227-T229 VanDerWaalsContact C-N 3.26Å; I227-T229 PolarHBondContact O-N 2.78Å; I227-Y230 PolarHBondContact O-N 3.06Å; I227-A231 VanDerWaalsContact O-CB 3.28Å; I227-A231 WeakPolarHBondContact O-CB 3.44Å; I227-A231 PolarHBondContact O-N 2.96Å
228Q94.5Very high91.9Very high11 Ų1127.8 Ų27.85%0.05116%0.156CC..Hα-helixtrans-57.8-41.9175.2-63.9176.2-40.500111.1L220 V222 N224 Q225 E226 A231 I232 H278 M290L220-Q228 HydrophobicContact CD2-CB 4.49Å; L220-Q228 PolarHBondContact O-NE2 2.77Å; V222-Q228 HydrophobicContact CG2-CG 4.43Å; V222-Q228 PolarHBondContact O-NE2 2.85Å; V222-Q228 VanDerWaalsContact O-NE2 3.07Å; N224-Q228 WeakPolarHBondContact O-CG 3.42Å; N224-Q228 PolarHBondContact O-N 2.95Å; N224-Q228 VanDerWaalsContact O-N 3.1Å; Q225-Q228 PolarHBondContact O-N 3.19Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 2.95Å; Q228-A231 PolarHBondContact O-N 3.43Å; Q228-I232 WeakPolarHBondContact O-CG1 3.47Å; Q228-I232 PolarHBondContact O-N 3.02Å; Q228-H278 PolarHBondContact NE2-O 3.18Å; Q228-M290 VanDerWaalsContact C-CE 3.43Å; Q228-M290 HydrophobicContact CB-CE 3.39Å
229T94.6Very high91.6Very high16 Ų1627 Ų2710%0.09814%0.143CC..Hα-helixtrans-63.5-51.6-178.7-56.20000110.8Q225 E226 I227 A231 I232 A233 E289 M290 Q293Q225-T229 WeakPolarHBondContact O-CB 3.41Å; Q225-T229 PolarHBondContact O-N 2.75Å; Q225-T229 PolarHBondContact O-OG1 2.78Å; E226-T229 WeakPolarHBondContact O-CA 3.49Å; E226-T229 WeakPolarHBondContact O-CB 3.5Å; E226-T229 PolarHBondContact O-N 3.34Å; I227-T229 VanDerWaalsContact C-N 3.26Å; I227-T229 PolarHBondContact O-N 2.78Å; T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 3.21Å; T229-I232 PolarHBondContact O-N 3.16Å; T229-A233 WeakPolarHBondContact O-CB 3.45Å; T229-A233 PolarHBondContact O-N 2.95Å; T229-E289 HydrophobicContact CG2-CB 4.32Å; T229-E289 HydrophobicContact CG2-CG 3.6Å; T229-M290 VanDerWaalsContact N-CE 3.28Å; T229-M290 WeakPolarHBondContact OG1-CE 3.13Å; T229-Q293 HydrophobicContact CG2-CG 3.98Å
230Y94.4Very high91.2Very high73 Ų7329.5 Ų29.529%0.28616%0.156SC..Hα-helixtrans-65.5-32.8178.3-77.9-78.6000112.7Q187 A191 E226 I227 A233 L234Q187-Y230 HydrophobicContact CG-CD2 3.53Å; Q187-Y230 HydrophobicContact CG-CE2 3.46Å; Q187-Y230 VanDerWaalsContact CG-CE2 3.46Å; Q187-Y230 HydrophobicContact CG-CG 4.31Å; A191-Y230 HydrophobicContact CB-CD1 3.82Å; A191-Y230 HydrophobicContact CB-CE1 3.65Å; E226-Y230 VanDerWaalsContact O-CD2 3.24Å; E226-Y230 WeakPolarHBondContact O-CD2 3.44Å; E226-Y230 PolarHBondContact O-N 2.63Å; I227-Y230 PolarHBondContact O-N 3.06Å; Y230-A233 PolarHBondContact O-N 3.35Å; Y230-L234 WeakPolarHBondContact O-CB 3.34Å; Y230-L234 PolarHBondContact O-N 3.09Å
231A94.8Very high90.7Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-66.8-44.4174.500000111.8L190 H219 L220 I227 Q228 T229 L234 I235L190-A231 HydrophobicContact CD1-CB 4.39Å; H219-A231 HydrophobicContact CB-CB 3.97Å; L220-A231 HydrophobicContact CD2-CB 3.73Å; L220-A231 HydrophobicContact CG-CB 4.49Å; I227-A231 VanDerWaalsContact O-CB 3.28Å; I227-A231 WeakPolarHBondContact O-CB 3.44Å; I227-A231 PolarHBondContact O-N 2.96Å; Q228-A231 PolarHBondContact O-N 3.43Å; T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 3.21Å; A231-L234 PolarHBondContact O-N 3Å; A231-I235 VanDerWaalsContact O-CG1 3.31Å; A231-I235 WeakPolarHBondContact O-CG1 3.25Å; A231-I235 PolarHBondContact O-N 2.98Å
232I94.5Very high90Very high1 Ų129 Ų291%0.00515%0.154CC..Hα-helixtrans-66.4-40.1174.3-63.6-177.7000110.8L220 Q228 T229 L234 I235 N236 I275 V279 M290 Q293 L294 L297L220-I232 HydrophobicContact CD2-CD1 4.17Å; L220-I232 HydrophobicContact CD2-CG1 3.49Å; L220-I232 VanDerWaalsContact CD2-CG1 3.49Å; Q228-I232 WeakPolarHBondContact O-CG1 3.47Å; Q228-I232 PolarHBondContact O-N 3.02Å; T229-I232 PolarHBondContact O-N 3.16Å; I232-L234 VanDerWaalsContact C-N 3.32Å; I232-L234 PolarHBondContact O-N 3.27Å; I232-I235 WeakPolarHBondContact O-CB 3.38Å; I232-I235 PolarHBondContact O-N 3.44Å; I232-I235 VanDerWaalsContact O-N 3.13Å; I232-N236 WeakPolarHBondContact O-CB 3.49Å; I232-N236 VanDerWaalsContact O-CG 3.32Å; I232-N236 PolarHBondContact O-N 2.85Å; I232-I275 HydrophobicContact CD1-CD1 4.47Å; I232-I275 HydrophobicContact CD1-CG1 4.37Å; I232-V279 HydrophobicContact CD1-CG2 4.42Å; I232-M290 HydrophobicContact CD1-CE 4.15Å; I232-M290 HydrophobicContact CD1-SD 3.76Å; I232-Q293 HydrophobicContact CB-CB 4.29Å; I232-Q293 HydrophobicContact CG2-CB 3.81Å; I232-L294 HydrophobicContact CD1-CD2 3.98Å; I232-L297 HydrophobicContact CG2-CD2 4.42Å
233A94Very high88.9Confident6 Ų627.6 Ų27.65%0.0515%0.146CC..Hα-helixtrans-59.7-42.7177.300000111.8E194 T229 Y230 N236 A237 Q293E194-A233 HydrophobicContact CG-CB 4.45Å; E194-A233 VanDerWaalsContact OE2-CB 3.29Å; E194-A233 WeakPolarHBondContact OE2-CB 3.05Å; T229-A233 WeakPolarHBondContact O-CB 3.45Å; T229-A233 PolarHBondContact O-N 2.95Å; Y230-A233 PolarHBondContact O-N 3.35Å; A233-N236 WeakPolarHBondContact O-CB 3.36Å; A233-N236 PolarHBondContact O-N 2.78Å; A233-A237 WeakPolarHBondContact O-CB 3.43Å; A233-A237 PolarHBondContact O-N 3.06Å; A233-Q293 HydrophobicContact CB-CG 4.31Å
234L94.1Very high87.4Confident0 Ų029.4 Ų29.40%014%0.143CC..Hα-helixtrans-64.4-41.1173.2179.856.2000112.5L190 L193 E194 V197 I211 L216 Y230 A231 I232 N236 A237 L238L190-L234 HydrophobicContact CD2-CD2 3.84Å; L193-L234 HydrophobicContact CB-CD1 4.08Å; L193-L234 HydrophobicContact CB-CD2 4.13Å; L193-L234 HydrophobicContact CD1-CD2 4.3Å; E194-L234 HydrophobicContact CB-CB 4.09Å; E194-L234 HydrophobicContact CB-CD1 3.87Å; V197-L234 HydrophobicContact CG2-CD1 4.33Å; I211-L234 HydrophobicContact CG2-CD2 4.48Å; L216-L234 HydrophobicContact CD1-CB 4.47Å; L216-L234 HydrophobicContact CD1-CD2 3.96Å; L216-L234 HydrophobicContact CD1-CG 3.96Å; L216-L234 HydrophobicContact CD2-CD2 3.8Å; Y230-L234 WeakPolarHBondContact O-CB 3.34Å; Y230-L234 PolarHBondContact O-N 3.09Å; A231-L234 PolarHBondContact O-N 3Å; I232-L234 VanDerWaalsContact C-N 3.32Å; I232-L234 PolarHBondContact O-N 3.27Å; L234-N236 VanDerWaalsContact C-N 3.35Å; L234-A237 PolarHBondContact O-N 3.41Å; L234-L238 HydrophobicContact CD1-CD1 4.37Å; L234-L238 HydrophobicContact CD1-CG 4.26Å; L234-L238 HydrophobicContact CG-CD1 4.27Å; L234-L238 WeakPolarHBondContact O-CB 3.39Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.28Å; L234-L238 PolarHBondContact O-N 3.19Å
235I91.6Very high85.7Confident1 Ų133.1 Ų33.11%0.00516%0.163CC..Hα-helixtrans-59.7-46.8173.6-68.6166.7000110.4L216 L220 A231 I232 A237 L238 F239 L271L216-I235 HydrophobicContact CB-CD1 4.15Å; L216-I235 HydrophobicContact CB-CG1 4.2Å; L216-I235 HydrophobicContact CD1-CG1 3.67Å; L220-I235 HydrophobicContact CD1-CD1 4.2Å; A231-I235 VanDerWaalsContact O-CG1 3.31Å; A231-I235 WeakPolarHBondContact O-CG1 3.25Å; A231-I235 PolarHBondContact O-N 2.98Å; I232-I235 WeakPolarHBondContact O-CB 3.38Å; I232-I235 PolarHBondContact O-N 3.44Å; I232-I235 VanDerWaalsContact O-N 3.13Å; I235-A237 PolarHBondContact O-N 2.9Å; I235-L238 PolarHBondContact O-N 3.05Å; I235-F239 HydrophobicContact CG2-CD2 3.91Å; I235-F239 HydrophobicContact CG2-CE1 4.44Å; I235-F239 HydrophobicContact CG2-CE2 3.37Å; I235-F239 HydrophobicContact CG2-CZ 3.67Å; I235-F239 WeakPolarHBondContact O-CG 3.49Å; I235-F239 PolarHBondContact O-N 3.32Å; I235-L271 HydrophobicContact CD1-CD1 4.13Å; I235-L271 HydrophobicContact CD1-CD2 4.34Å; I235-L271 HydrophobicContact CG2-CD2 4.34Å
236N91.4Very high83.8Confident6 Ų636.8 Ų36.83%0.03218%0.177CC..Hα-helixtrans-59.7-45.3177.1-73.9-19.2000111.5I232 A233 L234 L238 F239 L240 Q293 V296 L297 L300I232-N236 WeakPolarHBondContact O-CB 3.49Å; I232-N236 VanDerWaalsContact O-CG 3.32Å; I232-N236 PolarHBondContact O-N 2.85Å; A233-N236 WeakPolarHBondContact O-CB 3.36Å; A233-N236 PolarHBondContact O-N 2.78Å; L234-N236 VanDerWaalsContact C-N 3.35Å; N236-L238 PolarHBondContact O-N 2.87Å; N236-F239 PolarHBondContact O-N 3.17Å; N236-L240 VanDerWaalsContact O-CB 3.29Å; N236-L240 WeakPolarHBondContact O-CB 3.42Å; N236-L240 PolarHBondContact O-N 3.38Å; N236-Q293 PolarHBondContact ND2-O 2.81Å; N236-Q293 PolarHBondContact ND2-OE1 3.44Å; N236-V296 HydrophobicContact CB-CG1 3.91Å; N236-L297 VanDerWaalsContact OD1-CA 3.31Å; N236-L297 WeakPolarHBondContact OD1-CA 3.3Å; N236-L297 VanDerWaalsContact OD1-CB 3.3Å; N236-L297 WeakPolarHBondContact OD1-CB 3.49Å; N236-L297 WeakPolarHBondContact OD1-CD1 3.19Å; N236-L300 HydrophobicContact CB-CD1 4.1Å
237A89.9Confident81.9Confident3 Ų336 Ų363%0.02517%0.17CC..Hα-helixtrans-61.9-42.7177.300000112.1E194 V197 L198 A233 L234 I235 F239 L240 K241E194-A237 HydrophobicContact CB-CB 4.48Å; E194-A237 HydrophobicContact CG-CB 3.65Å; V197-A237 HydrophobicContact CB-CB 4.28Å; V197-A237 HydrophobicContact CG1-CB 3.86Å; V197-A237 VanDerWaalsContact CG1-O 3.31Å; V197-A237 WeakPolarHBondContact CG1-O 3.38Å; L198-A237 HydrophobicContact CD1-CB 4.48Å; L198-A237 HydrophobicContact CD2-CB 3.77Å; L198-A237 HydrophobicContact CG-CB 3.86Å; A233-A237 WeakPolarHBondContact O-CB 3.43Å; A233-A237 PolarHBondContact O-N 3.06Å; L234-A237 PolarHBondContact O-N 3.41Å; I235-A237 PolarHBondContact O-N 2.9Å; A237-F239 VanDerWaalsContact C-N 3.33Å; A237-F239 PolarHBondContact O-N 3.1Å; A237-L240 PolarHBondContact O-N 3.35Å; A237-K241 WeakPolarHBondContact O-CB 3.34Å; A237-K241 PolarHBondContact O-N 2.86Å; A237-K241 VanDerWaalsContact O-N 3.09Å
238L87.5Confident79.5Confident12 Ų1240.9 Ų40.96%0.06319%0.193CC..Hα-helixtrans-61.9-40.7175.8-72.6168.8000111.6V197 Y204 V207 A208 L216 L234 I235 N236 A242V197-L238 HydrophobicContact CG1-CD2 4.43Å; V197-L238 HydrophobicContact CG2-CD2 3.92Å; Y204-L238 HydrophobicContact CD2-CD2 4.05Å; Y204-L238 HydrophobicContact CE2-CD2 3.9Å; Y204-L238 WeakPolarHBondContact CE2-O 3.24Å; V207-L238 HydrophobicContact CG1-CD2 4.44Å; A208-L238 HydrophobicContact CB-CD2 4.39Å; L216-L238 HydrophobicContact CD1-CD1 4.1Å; L234-L238 HydrophobicContact CD1-CD1 4.37Å; L234-L238 HydrophobicContact CD1-CG 4.26Å; L234-L238 HydrophobicContact CG-CD1 4.27Å; L234-L238 WeakPolarHBondContact O-CB 3.39Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.28Å; L234-L238 PolarHBondContact O-N 3.19Å; I235-L238 PolarHBondContact O-N 3.05Å; N236-L238 PolarHBondContact O-N 2.87Å; L238-A242 WeakPolarHBondContact O-CB 3.38Å; L238-A242 PolarHBondContact O-N 3.3Å; L238-A242 VanDerWaalsContact O-N 3.16Å
239F83.1Confident77Confident18 Ų1844.5 Ų44.58%0.07921%0.209CC..Hα-helixtrans-70.6-41.5177-67.8-18.3000113.2V213 I235 N236 A237 K241 M262 L266 L297 L300V213-F239 HydrophobicContact CG2-CE1 4.44Å; I235-F239 HydrophobicContact CG2-CD2 3.91Å; I235-F239 HydrophobicContact CG2-CE1 4.44Å; I235-F239 HydrophobicContact CG2-CE2 3.37Å; I235-F239 HydrophobicContact CG2-CZ 3.67Å; I235-F239 WeakPolarHBondContact O-CG 3.49Å; I235-F239 PolarHBondContact O-N 3.32Å; N236-F239 PolarHBondContact O-N 3.17Å; A237-F239 VanDerWaalsContact C-N 3.33Å; A237-F239 PolarHBondContact O-N 3.1Å; F239-K241 VanDerWaalsContact C-N 3.28Å; F239-K241 PolarHBondContact O-N 3.21Å; F239-M262 HydrophobicContact CB-SD 4.21Å; F239-M262 HydrophobicContact CD1-CB 4.23Å; F239-M262 HydrophobicContact CD1-CG 4.03Å; F239-M262 HydrophobicContact CD1-SD 3.51Å; F239-M262 VanDerWaalsContact CD1-SD 3.51Å; F239-M262 HydrophobicContact CE1-CB 4.18Å; F239-M262 HydrophobicContact CE1-CG 4.25Å; F239-M262 HydrophobicContact CE1-SD 4.3Å; F239-M262 HydrophobicContact CG-SD 4.2Å; F239-L266 HydrophobicContact CD2-CD1 4.43Å; F239-L266 HydrophobicContact CE1-CG 4.41Å; F239-L266 HydrophobicContact CE2-CD1 3.69Å; F239-L266 HydrophobicContact CE2-CD2 3.43Å; F239-L266 VanDerWaalsContact CE2-CD2 3.43Å; F239-L266 HydrophobicContact CE2-CG 3.74Å; F239-L266 HydrophobicContact CZ-CD1 3.74Å; F239-L266 HydrophobicContact CZ-CD2 3.51Å; F239-L266 HydrophobicContact CZ-CG 3.46Å; F239-L266 VanDerWaalsContact CZ-CG 3.46Å; F239-L297 HydrophobicContact CD2-CD1 4.14Å; F239-L297 HydrophobicContact CE2-CD1 3.97Å; F239-L300 HydrophobicContact CB-CD1 4.17Å
240L83.1Confident74.2Confident72 Ų7252.7 Ų52.738%0.37725%0.247SC..Hα-helixtrans-63.4-34.4179.8-174.160.6000112.4L198 N236 A237 L300L198-L240 HydrophobicContact CD2-CD2 4.19Å; N236-L240 VanDerWaalsContact O-CB 3.29Å; N236-L240 WeakPolarHBondContact O-CB 3.42Å; N236-L240 PolarHBondContact O-N 3.38Å; A237-L240 PolarHBondContact O-N 3.35Å; L240-L300 HydrophobicContact CD1-CD2 4.03Å
241K80.5Confident71.7Confident79 Ų7954.5 Ų54.534%0.34326%0.257SS..Hα-helixtrans-100.5-2.7-175.3-69-71.7-169.1173.70114.7V197 L198 Y204 A237 F239V197-K241 HydrophobicContact CG1-CB 3.96Å; V197-K241 HydrophobicContact CG1-CG 4.03Å; V197-K241 WeakPolarHBondContact O-CG 3.42Å; L198-K241 WeakPolarHBondContact O-CE 3.46Å; L198-K241 PolarHBondContact O-NZ 3.32Å; Y204-K241 HydrophobicContact CD2-CB 3.94Å; Y204-K241 HydrophobicContact CG-CB 4.31Å; A237-K241 WeakPolarHBondContact O-CB 3.34Å; A237-K241 PolarHBondContact O-N 2.86Å; A237-K241 VanDerWaalsContact O-N 3.09Å; F239-K241 VanDerWaalsContact C-N 3.28Å; F239-K241 PolarHBondContact O-N 3.21Å
242A76.9Confident68.9Low6 Ų662.6 Ų62.65%0.0530%0.301CS..  trans-63132.6177.400000111.4Y204 L238 R247 M262Y204-A242 HydrophobicContact CE2-CB 4.41Å; Y204-A242 WeakPolarHBondContact OH-CA 3.39Å; Y204-A242 WeakPolarHBondContact OH-CB 3.41Å; L238-A242 WeakPolarHBondContact O-CB 3.38Å; L238-A242 PolarHBondContact O-N 3.3Å; L238-A242 VanDerWaalsContact O-N 3.16Å; A242-R247 PolarHBondContact O-NH1 3.13Å; A242-M262 HydrophobicContact CB-CE 3.38Å; A242-M262 HydrophobicContact CB-CG 4.39Å; A242-M262 HydrophobicContact CB-SD 3.2Å; A242-M262 WeakPolarHBondContact CB-SD 3.22Å
243P68Low66.3Low27 Ų2766.2 Ų66.218%0.17532%0.32CS..  trans-64.5151.2178.425.4-31.9000111.5D245 R246P243-D245 PolarHBondContact O-N 2.86Å; P243-R246 HydrophobicContact CG-CB 4.15Å; P243-R246 HydrophobicContact CG-CG 4.11Å; P243-R246 PolarHBondContact O-N 3.12Å
244E57.2Low63.9Low137 Ų13769.8 Ų69.864%0.6434%0.343SS*.G310 helixtrans-54.4-37177.3-81175.3-176.200112.7R246 R247E244-R246 PolarHBondContact O-N 2.97Å; E244-R247 WeakPolarHBondContact O-CA 3.29Å; E244-R247 WeakPolarHBondContact O-CB 3.04Å; E244-R247 PolarHBondContact O-N 3.31Å; E244-R247 IonicContact OE1-NH2 3.83Å
245D54.2Low61.3Low123 Ų12375.5 Ų75.566%0.65837%0.373SS*.G310 helixtrans-71.3-32.6-176.1-48.5-28.6000113P243 R247 Q248P243-D245 PolarHBondContact O-N 2.86Å; D245-R247 PolarHBondContact O-N 3.4Å; D245-Q248 PolarHBondContact O-N 3.13Å
246R52.2Low59.1Low92 Ų9279.9 Ų79.935%0.34740%0.396SS..G310 helixtrans-75-3.5170.9-75.5-166.7179.9167.91.2112.6P243 E244 Q248 E261P243-R246 HydrophobicContact CG-CB 4.15Å; P243-R246 HydrophobicContact CG-CG 4.11Å; P243-R246 PolarHBondContact O-N 3.12Å; E244-R246 PolarHBondContact O-N 2.97Å; R246-Q248 VanDerWaalsContact C-N 3.25Å; R246-E261 VanDerWaalsContact O-CB 3.3Å; R246-E261 WeakPolarHBondContact O-CB 3.45Å; R246-E261 WeakPolarHBondContact O-CG 3.33Å; R246-E261 PolarHBondContact O-N 2.82Å
247R50.9Low57Low68 Ų6883.8 Ų83.826%0.25741%0.414SS..G310 helixtrans-83.2-1.2165.2-65.8-173.6-83.9-114.113.9112.7A242 E244 D245 T260 M262A242-R247 PolarHBondContact O-NH1 3.13Å; E244-R247 WeakPolarHBondContact O-CA 3.29Å; E244-R247 WeakPolarHBondContact O-CB 3.04Å; E244-R247 PolarHBondContact O-N 3.31Å; E244-R247 IonicContact OE1-NH2 3.83Å; D245-R247 PolarHBondContact O-N 3.4Å; R247-T260 HydrophobicContact CB-CG2 3.77Å; R247-T260 HydrophobicContact CG-CG2 4.36Å; R247-T260 WeakPolarHBondContact O-CA 3.32Å; R247-T260 WeakPolarHBondContact O-CB 3.01Å; R247-T260 WeakPolarHBondContact O-CG2 3.46Å; R247-M262 HydrophobicContact CG-CE 3.23Å
248Q43.1Very low54.9Low108 Ų10891.7 Ų91.751%0.50544%0.443SS..  trans-124.1106.7-172.5-66174.2-10.100110.1D245 R246D245-Q248 PolarHBondContact O-N 3.13Å; R246-Q248 VanDerWaalsContact C-N 3.25Å
249E40.5Very low53Low86 Ų8694.5 Ų94.540%0.40246%0.458SS..  trans-91.5123.2153.8-84.5-172.2158.900108.7H251 E261E249-H251 PolarHBondContact O-N 3.25Å; E249-H251 VanDerWaalsContact O-N 3.08Å; E249-H251 IonicContact OE2-CE1 2.74Å; E249-H251 PolarHBondContact OE2-CE1 3.37Å; E249-H251 VanDerWaalsContact OE2-CE1 3.25Å; E249-H251 IonicContact OE2-ND1 2.59Å; E249-E261 HydrophobicContact CG-CG 4.03Å
250E36.7Very low51.8Low189 Ų18994.1 Ų94.188%0.88346%0.457SS*.  trans-71.293.5166.9-72-173.5154.100109.5
251H40.6Very low50.5Low110 Ų11094.4 Ų94.451%0.50946%0.457SS..  trans-87.6131.2164.3-8569.7000110.5E249 N253E249-H251 PolarHBondContact O-N 3.25Å; E249-H251 VanDerWaalsContact O-N 3.08Å; E249-H251 IonicContact OE2-CE1 2.74Å; E249-H251 PolarHBondContact OE2-CE1 3.37Å; E249-H251 VanDerWaalsContact OE2-CE1 3.25Å; E249-H251 IonicContact OE2-ND1 2.59Å; H251-N253 PolarHBondContact O-N 3.18Å; H251-N253 VanDerWaalsContact O-N 3.11Å
252N36.8Very low49.5Very low170 Ų17091.6 Ų91.691%0.90945%0.445SS*.SBendtrans-72.56.7-178.6-74.3-40000114.7
253N40.9Very low48.6Very low78 Ų7892 Ų9242%0.41745%0.448SS..  trans-128.3115.1-175.6-157.31.8000111.1H251 L255 D256H251-N253 PolarHBondContact O-N 3.18Å; H251-N253 VanDerWaalsContact O-N 3.11Å; N253-L255 PolarHBondContact O-N 3.43Å; N253-D256 PolarHBondContact O-N 3.35Å; N253-D256 VanDerWaalsContact O-N 3.11Å
254P41.8Very low48.4Very low80 Ų8091.5 Ų91.552%0.51945%0.445SS..THydrogen-bonded Turntrans-65.6-8.1-178.78.2-9.5000115A319P254-A319 HydrophobicContact CB-CB 4.06Å; P254-A319 HydrophobicContact CG-CB 3.6Å
255L41.2Very low48.7Very low120 Ų12086.7 Ų86.763%0.62843%0.425SS*.THydrogen-bonded Turntrans-92.4-16.2176.2-71.5162.9000113.6N253N253-L255 PolarHBondContact O-N 3.43Å
256D45.6Very low49.3Very low94 Ų9482.1 Ų82.150%0.50340%0.401SS..SBendtrans-87.8118.6170.3-84-31.3000108.4N253 R258N253-D256 PolarHBondContact O-N 3.35Å; N253-D256 VanDerWaalsContact O-N 3.11Å; D256-R258 PolarHBondContact O-N 3.02Å
257Q46.2Very low49.8Very low88 Ų8879.9 Ų79.941%0.41140%0.402SS..  trans-64.3126.2-173.8-161.6160.927.600110.3L259Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-L259 PolarHBondContact O-N 3.05Å
258R46.7Very low50.2Low169 Ų16983.7 Ų83.764%0.63842%0.423SS*.  trans-58.292.3173.5-72-177.4173.9-169.1-3.1109.8D256D256-R258 PolarHBondContact O-N 3.02Å
259L47.5Very low51.2Low70 Ų7082.1 Ų82.137%0.36641%0.414SS..  trans-94.3124.7167.5-72.3167.4000107Q257 A263Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-L259 PolarHBondContact O-N 3.05Å; L259-A263 HydrophobicContact CB-CB 4.26Å; L259-A263 HydrophobicContact CD2-CB 3.87Å
260T56.3Low53.1Low11 Ų1184.2 Ų84.27%0.06742%0.424CS..  trans-57.7151.4171.973.20000110R247 M262 A263 S264R247-T260 HydrophobicContact CB-CG2 3.77Å; R247-T260 HydrophobicContact CG-CG2 4.36Å; R247-T260 WeakPolarHBondContact O-CA 3.32Å; R247-T260 WeakPolarHBondContact O-CB 3.01Å; R247-T260 WeakPolarHBondContact O-CG2 3.46Å; T260-M262 PolarHBondContact O-N 3.38Å; T260-A263 CarbonylContact O-C 3.39Å; T260-A263 WeakPolarHBondContact O-CA 3.38Å; T260-A263 PolarHBondContact O-N 3.45Å; T260-A263 WeakPolarHBondContact OG1-CB 3.31Å; T260-A263 PolarHBondContact OG1-N 3.27Å; T260-S264 PolarHBondContact O-N 3.16Å; T260-S264 PolarHBondContact O-OG 3.08Å
261E57.2Low55.4Low77 Ų7775.3 Ų75.336%0.3638%0.382SS..Hα-helixtrans-55-28.9177.7-65.2-178.416200111.6R246 E249 S264 T265R246-E261 VanDerWaalsContact O-CB 3.3Å; R246-E261 WeakPolarHBondContact O-CB 3.45Å; R246-E261 WeakPolarHBondContact O-CG 3.33Å; R246-E261 PolarHBondContact O-N 2.82Å; E249-E261 HydrophobicContact CG-CG 4.03Å; E261-S264 WeakPolarHBondContact CA-OG 3.48Å; E261-S264 PolarHBondContact O-OG 2.86Å; E261-T265 VanDerWaalsContact O-CB 3.27Å; E261-T265 WeakPolarHBondContact O-CB 3.36Å; E261-T265 PolarHBondContact O-N 3.01Å; E261-T265 PolarHBondContact O-OG1 2.91Å
262M58.2Low57.7Low20 Ų2072.2 Ų72.210%0.09937%0.366CS..Hα-helixtrans-72.1-45.1172.9-68.2-168-75.800113.1F239 A242 R247 T260 S264 T265 L266F239-M262 HydrophobicContact CB-SD 4.21Å; F239-M262 HydrophobicContact CD1-CB 4.23Å; F239-M262 HydrophobicContact CD1-CG 4.03Å; F239-M262 HydrophobicContact CD1-SD 3.51Å; F239-M262 VanDerWaalsContact CD1-SD 3.51Å; F239-M262 HydrophobicContact CE1-CB 4.18Å; F239-M262 HydrophobicContact CE1-CG 4.25Å; F239-M262 HydrophobicContact CE1-SD 4.3Å; F239-M262 HydrophobicContact CG-SD 4.2Å; A242-M262 HydrophobicContact CB-CE 3.38Å; A242-M262 HydrophobicContact CB-CG 4.39Å; A242-M262 HydrophobicContact CB-SD 3.2Å; A242-M262 WeakPolarHBondContact CB-SD 3.22Å; R247-M262 HydrophobicContact CG-CE 3.23Å; T260-M262 PolarHBondContact O-N 3.38Å; M262-S264 VanDerWaalsContact C-N 3.33Å; M262-T265 PolarHBondContact O-N 3.25Å; M262-L266 WeakPolarHBondContact O-CB 3.33Å; M262-L266 WeakPolarHBondContact O-CD1 3.47Å; M262-L266 VanDerWaalsContact O-CG 3.32Å; M262-L266 WeakPolarHBondContact O-CG 3.44Å; M262-L266 PolarHBondContact O-N 3.31Å
263A59.9Low60.2Low14 Ų1466.4 Ų66.412%0.11634%0.339CS..Hα-helixtrans-64.1-38.8175.300000111.5L259 T260 L266 A267 L304L259-A263 HydrophobicContact CB-CB 4.26Å; L259-A263 HydrophobicContact CD2-CB 3.87Å; T260-A263 CarbonylContact O-C 3.39Å; T260-A263 WeakPolarHBondContact O-CA 3.38Å; T260-A263 PolarHBondContact O-N 3.45Å; T260-A263 WeakPolarHBondContact OG1-CB 3.31Å; T260-A263 PolarHBondContact OG1-N 3.27Å; A263-L266 PolarHBondContact O-N 2.72Å; A263-A267 VanDerWaalsContact O-CB 3.28Å; A263-A267 WeakPolarHBondContact O-CB 3.13Å; A263-A267 PolarHBondContact O-N 3.45Å; A263-L304 HydrophobicContact CB-CD1 4.06Å
264S63Low62.6Low17 Ų1763.6 Ų63.612%0.11932%0.324CS..Hα-helixtrans-67.3-41.2174.871.80000110.7T260 E261 M262 A267 Q268T260-S264 PolarHBondContact O-N 3.16Å; T260-S264 PolarHBondContact O-OG 3.08Å; E261-S264 WeakPolarHBondContact CA-OG 3.48Å; E261-S264 PolarHBondContact O-OG 2.86Å; M262-S264 VanDerWaalsContact C-N 3.33Å; S264-A267 PolarHBondContact O-N 2.8Å; S264-Q268 WeakPolarHBondContact O-CB 3.49Å; S264-Q268 WeakPolarHBondContact O-CG 3.49Å; S264-Q268 PolarHBondContact O-N 3.31Å
265T64.1Low65.1Low36 Ų3659.9 Ų59.922%0.22130%0.3CS..Hα-helixtrans-64.3-40.7174.4-61.10000112.7V213 E261 M262 K269V213-T265 HydrophobicContact CB-CG2 3.57Å; V213-T265 HydrophobicContact CG1-CG2 4.05Å; V213-T265 HydrophobicContact CG2-CG2 3.67Å; E261-T265 VanDerWaalsContact O-CB 3.27Å; E261-T265 WeakPolarHBondContact O-CB 3.36Å; E261-T265 PolarHBondContact O-N 3.01Å; E261-T265 PolarHBondContact O-OG1 2.91Å; M262-T265 PolarHBondContact O-N 3.25Å; T265-K269 HydrophobicContact CG2-CD 4.23Å; T265-K269 PolarHBondContact O-N 2.86Å
266L65.2Low67.6Low27 Ų2754.9 Ų54.914%0.14127%0.273CS..Hα-helixtrans-60.9-43.5174.4-81.8162.4000111.9F239 M262 A263 L271 L304F239-L266 HydrophobicContact CD2-CD1 4.43Å; F239-L266 HydrophobicContact CE1-CG 4.41Å; F239-L266 HydrophobicContact CE2-CD1 3.69Å; F239-L266 HydrophobicContact CE2-CD2 3.43Å; F239-L266 VanDerWaalsContact CE2-CD2 3.43Å; F239-L266 HydrophobicContact CE2-CG 3.74Å; F239-L266 HydrophobicContact CZ-CD1 3.74Å; F239-L266 HydrophobicContact CZ-CD2 3.51Å; F239-L266 HydrophobicContact CZ-CG 3.46Å; F239-L266 VanDerWaalsContact CZ-CG 3.46Å; M262-L266 WeakPolarHBondContact O-CB 3.33Å; M262-L266 WeakPolarHBondContact O-CD1 3.47Å; M262-L266 VanDerWaalsContact O-CG 3.32Å; M262-L266 WeakPolarHBondContact O-CG 3.44Å; M262-L266 PolarHBondContact O-N 3.31Å; A263-L266 PolarHBondContact O-N 2.72Å; L266-L271 HydrophobicContact CD2-CD2 3.37Å; L266-L271 HydrophobicContact CD2-CG 4.32Å; L266-L304 HydrophobicContact CD1-CD1 3.98Å
267A63Low69.9Low46 Ų4654 Ų5438%0.3827%0.269SS..Hα-helixtrans-78.5-40.8-177.600000113.2A263 S264 K269A263-A267 VanDerWaalsContact O-CB 3.28Å; A263-A267 WeakPolarHBondContact O-CB 3.13Å; A263-A267 PolarHBondContact O-N 3.45Å; S264-A267 PolarHBondContact O-N 2.8Å; A267-K269 PolarHBondContact O-N 3.21Å
268Q59.7Low72.2Confident147 Ų14753.1 Ų53.169%0.68727%0.265SS*.Hα-helixtrans-76.4-21.9-173-72.5176.4-4.400114S264S264-Q268 WeakPolarHBondContact O-CB 3.49Å; S264-Q268 WeakPolarHBondContact O-CG 3.49Å; S264-Q268 PolarHBondContact O-N 3.31Å
269K64.6Low74.4Confident75 Ų7545.3 Ų45.333%0.32624%0.236SC..THydrogen-bonded Turntrans-104.314.7-173.8-60.3-168.4175.1178.10115.1I217 T265 A267 L271I217-K269 HydrophobicContact CD1-CB 3.4Å; I217-K269 VanDerWaalsContact CD1-CB 3.4Å; I217-K269 HydrophobicContact CD1-CD 4.29Å; I217-K269 HydrophobicContact CD1-CG 4.47Å; I217-K269 VanDerWaalsContact CD1-O 3.28Å; I217-K269 WeakPolarHBondContact CD1-O 3.2Å; T265-K269 HydrophobicContact CG2-CD 4.23Å; T265-K269 PolarHBondContact O-N 2.86Å; A267-K269 PolarHBondContact O-N 3.21Å; K269-L271 PolarHBondContact O-N 3.33Å
270H79.3Confident76.7Confident130 Ų13043.7 Ų43.760%0.60223%0.227SC*.THydrogen-bonded Turntrans55.620.1-178.6-54.4-61.3000115.2R272 S273 I274H270-R272 PolarHBondContact O-N 3.11Å; H270-R272 VanDerWaalsContact O-N 3.17Å; H270-S273 WeakPolarHBondContact O-CB 3.42Å; H270-S273 PolarHBondContact O-N 2.88Å; H270-I274 WeakPolarHBondContact O-CG1 3.33Å; H270-I274 PolarHBondContact O-N 3.23Å
271L85.8Confident78.4Confident2 Ų250.4 Ų50.41%0.0125%0.251CS..Hα-helixtrans-52.4-44.1-176.2173.654.2000111.8V213 I217 L220 I235 L266 K269 S273 I274 I275V213-L271 HydrophobicContact CG1-CD2 3.96Å; I217-L271 HydrophobicContact CD1-CB 4.22Å; I217-L271 HydrophobicContact CG1-CB 4.47Å; I217-L271 HydrophobicContact CG1-CD1 4Å; L220-L271 HydrophobicContact CD1-CD1 3.27Å; I235-L271 HydrophobicContact CD1-CD1 4.13Å; I235-L271 HydrophobicContact CD1-CD2 4.34Å; I235-L271 HydrophobicContact CG2-CD2 4.34Å; L266-L271 HydrophobicContact CD2-CD2 3.37Å; L266-L271 HydrophobicContact CD2-CG 4.32Å; K269-L271 PolarHBondContact O-N 3.33Å; L271-S273 PolarHBondContact O-N 3.31Å; L271-I274 PolarHBondContact O-N 2.52Å; L271-I275 HydrophobicContact CD1-CD1 3.74Å; L271-I275 HydrophobicContact CD1-CG1 4.03Å; L271-I275 HydrophobicContact CG-CD1 3.93Å; L271-I275 WeakPolarHBondContact O-CG1 3.26Å; L271-I275 PolarHBondContact O-N 3.21Å
272R88.6Confident80Confident45 Ų4548 Ų4817%0.1725%0.246CC..Hα-helixtrans-64-42-179.8-155.9-17969.573.621.8113.2H270 I274 I275 L276 F441 F442 T443 H444 D445H270-R272 PolarHBondContact O-N 3.11Å; H270-R272 VanDerWaalsContact O-N 3.17Å; R272-I274 VanDerWaalsContact C-N 3.32Å; R272-I275 PolarHBondContact O-N 3.38Å; R272-L276 WeakPolarHBondContact O-CB 3.5Å; R272-L276 PolarHBondContact O-N 2.48Å; R272-F441 PolarHBondContact NH1-O 2.65Å; R272-F442 HydrophobicContact CG-CD1 4.16Å; R272-F442 PolarHBondContact NH1-O 2.94Å; R272-T443 PolarHBondContact NH2-O 3.17Å; R272-H444 PolarHBondContact NE-O 3.43Å; R272-H444 PolarHBondContact NH1-O 2.87Å; R272-H444 VanDerWaalsContact NH2-N 3.13Å; R272-D445 VanDerWaalsContact CZ-N 3.3Å; R272-D445 IonicContact CZ-OD1 3.21Å; R272-D445 VanDerWaalsContact CZ-OD1 3.25Å; R272-D445 VanDerWaalsContact NE-CA 3.35Å; R272-D445 IonicContact NE-OD1 2.68Å; R272-D445 PolarHBondContact NE-OD1 3.19Å; R272-D445 VanDerWaalsContact NH2-N 3.16Å; R272-D445 IonicContact NH2-OD1 2.82Å; R272-D445 PolarHBondContact NH2-OD1 3.06Å
273S88.8Confident81.3Confident48 Ų4855.3 Ų55.334%0.33629%0.286SS..Hα-helixtrans-64.7-38.4174.5-179.10000111.3H270 L271 L276 N277H270-S273 WeakPolarHBondContact O-CB 3.42Å; H270-S273 PolarHBondContact O-N 2.88Å; L271-S273 PolarHBondContact O-N 3.31Å; S273-L276 PolarHBondContact O-N 3.21Å; S273-N277 WeakPolarHBondContact O-CB 3.25Å; S273-N277 VanDerWaalsContact O-CG 3.29Å; S273-N277 PolarHBondContact O-N 3.05Å; S273-N277 PolarHBondContact O-ND2 3.45Å; S273-N277 VanDerWaalsContact O-ND2 3.11Å; S273-N277 PolarHBondContact OG-ND2 2.97Å
274I92.3Very high82.6Confident20 Ų2061.8 Ų61.810%0.10331%0.308CS..Hα-helixtrans-68.4-45.3178.4-69.7172.6000110.9I217 L220 Q221 H270 L271 R272 L276 N277 H278I217-I274 HydrophobicContact CB-CD1 4.48Å; I217-I274 HydrophobicContact CG2-CD1 3.17Å; L220-I274 HydrophobicContact CB-CG2 3.77Å; L220-I274 HydrophobicContact CD1-CG2 4.45Å; Q221-I274 HydrophobicContact CG-CG2 3.8Å; H270-I274 WeakPolarHBondContact O-CG1 3.33Å; H270-I274 PolarHBondContact O-N 3.23Å; L271-I274 PolarHBondContact O-N 2.52Å; R272-I274 VanDerWaalsContact C-N 3.32Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 PolarHBondContact O-N 2.94Å; I274-N277 PolarHBondContact O-N 2.82Å; I274-H278 WeakPolarHBondContact O-CB 3.42Å; I274-H278 PolarHBondContact O-CD2 2.88Å; I274-H278 PolarHBondContact O-N 3.33Å
275I94Very high83.8Confident2 Ų266.4 Ų66.41%0.0134%0.337CS..Hα-helixtrans-58.9-44.8172.2-68.9169.9000110.4L220 I232 L271 R272 N277 V279 I280 L294 L297 F442L220-I275 HydrophobicContact CD1-CG1 4.13Å; I232-I275 HydrophobicContact CD1-CD1 4.47Å; I232-I275 HydrophobicContact CD1-CG1 4.37Å; L271-I275 HydrophobicContact CD1-CD1 3.74Å; L271-I275 HydrophobicContact CD1-CG1 4.03Å; L271-I275 HydrophobicContact CG-CD1 3.93Å; L271-I275 WeakPolarHBondContact O-CG1 3.26Å; L271-I275 PolarHBondContact O-N 3.21Å; R272-I275 PolarHBondContact O-N 3.38Å; I275-N277 PolarHBondContact O-N 2.82Å; I275-V279 HydrophobicContact CG2-CB 4.36Å; I275-V279 WeakPolarHBondContact O-CA 3.41Å; I275-V279 VanDerWaalsContact O-CB 3.29Å; I275-V279 WeakPolarHBondContact O-CB 3.49Å; I275-V279 PolarHBondContact O-N 3.48Å; I275-I280 HydrophobicContact CG2-CD1 4.09Å; I275-I280 HydrophobicContact CG2-CG1 4.24Å; I275-I280 PolarHBondContact O-N 3.07Å; I275-L294 HydrophobicContact CG2-CD2 3.55Å; I275-L297 HydrophobicContact CD1-CD2 3.35Å; I275-F442 HydrophobicContact CB-CD1 4.46Å; I275-F442 HydrophobicContact CG2-CD1 3.83Å; I275-F442 HydrophobicContact CG2-CE1 3.96Å
276L93.9Very high85Confident15 Ų1566.9 Ų66.98%0.07934%0.338CS..Iπ-helixtrans-58.3-47.2178-178.566.5000111.7R272 S273 I274 I280 R281 F442 T443R272-L276 WeakPolarHBondContact O-CB 3.5Å; R272-L276 PolarHBondContact O-N 2.48Å; S273-L276 PolarHBondContact O-N 3.21Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 PolarHBondContact O-N 2.94Å; L276-I280 HydrophobicContact CD1-CB 4.27Å; L276-I280 HydrophobicContact CD1-CD1 4.39Å; L276-I280 HydrophobicContact CD1-CG2 4.16Å; L276-R281 HydrophobicContact CD1-CG 4.35Å; L276-R281 VanDerWaalsContact O-CB 3.25Å; L276-R281 WeakPolarHBondContact O-CB 3.45Å; L276-R281 WeakPolarHBondContact O-CG 3.39Å; L276-R281 PolarHBondContact O-N 2.78Å; L276-F442 HydrophobicContact CD1-CB 4.36Å; L276-F442 WeakPolarHBondContact CD2-O 3.29Å; L276-T443 HydrophobicContact CD1-CG2 4.18Å; L276-T443 HydrophobicContact CD2-CG2 4.33Å
277N93.4Very high86.1Confident76 Ų7671.7 Ų71.741%0.40636%0.358SS..Iπ-helixtrans-82.5-39.9-172.3-67.5-33.2000113.4S273 I274 I275 R281S273-N277 WeakPolarHBondContact O-CB 3.25Å; S273-N277 VanDerWaalsContact O-CG 3.29Å; S273-N277 PolarHBondContact O-N 3.05Å; S273-N277 PolarHBondContact O-ND2 3.45Å; S273-N277 VanDerWaalsContact O-ND2 3.11Å; S273-N277 PolarHBondContact OG-ND2 2.97Å; I274-N277 PolarHBondContact O-N 2.82Å; I275-N277 PolarHBondContact O-N 2.82Å; N277-R281 CarbonylContact O-C 3.45Å
278H93.7Very high87Confident69 Ų6972.5 Ų72.532%0.31937%0.365SS..Iπ-helixtrans-96.8-21.5-173.1-66.5-91000114L220 Q221 Q228 I274L220-H278 VanDerWaalsContact O-CB 3.31Å; L220-H278 WeakPolarHBondContact O-CB 3.41Å; Q221-H278 PolarHBondContact O-ND1 3.02Å; Q228-H278 PolarHBondContact NE2-O 3.18Å; I274-H278 WeakPolarHBondContact O-CB 3.42Å; I274-H278 PolarHBondContact O-CD2 2.88Å; I274-H278 PolarHBondContact O-N 3.33Å
279V94.7Very high88.1Confident5 Ų568.6 Ų68.63%0.0335%0.346CS..Iπ-helixtrans-110.6-61.8179.6-174.60000110.7I232 I275 G282 I286 M290 L294I232-V279 HydrophobicContact CD1-CG2 4.42Å; I275-V279 HydrophobicContact CG2-CB 4.36Å; I275-V279 WeakPolarHBondContact O-CA 3.41Å; I275-V279 VanDerWaalsContact O-CB 3.29Å; I275-V279 WeakPolarHBondContact O-CB 3.49Å; I275-V279 PolarHBondContact O-N 3.48Å; V279-G282 PolarHBondContact O-N 3.17Å; V279-I286 HydrophobicContact CG1-CD1 4.31Å; V279-I286 HydrophobicContact CG1-CG1 4.49Å; V279-M290 HydrophobicContact CG1-CE 3.97Å; V279-M290 HydrophobicContact CG1-CG 3.81Å; V279-M290 HydrophobicContact CG1-SD 3.67Å; V279-M290 HydrophobicContact CG2-CE 4.4Å; V279-L294 HydrophobicContact CG1-CD1 4.04Å; V279-L294 HydrophobicContact CG1-CD2 4.43Å
280I94.2Very high89.5Confident36 Ų3665 Ų6519%0.18533%0.331CS..Iπ-helixtrans-69.5-42.2-173.5-62.2174.5000112.2I275 L276 L294 Y437 P439 F442I275-I280 HydrophobicContact CG2-CD1 4.09Å; I275-I280 HydrophobicContact CG2-CG1 4.24Å; I275-I280 PolarHBondContact O-N 3.07Å; L276-I280 HydrophobicContact CD1-CB 4.27Å; L276-I280 HydrophobicContact CD1-CD1 4.39Å; L276-I280 HydrophobicContact CD1-CG2 4.16Å; I280-L294 HydrophobicContact CG1-CD1 4.27Å; I280-Y437 HydrophobicContact CD1-CE2 4.2Å; I280-Y437 HydrophobicContact CG1-CE2 4.37Å; I280-P439 HydrophobicContact CG2-CB 4.3Å; I280-F442 HydrophobicContact CD1-CB 3.43Å; I280-F442 VanDerWaalsContact CD1-CB 3.43Å; I280-F442 HydrophobicContact CD1-CD1 3.99Å; I280-F442 HydrophobicContact CD1-CD2 3.63Å; I280-F442 HydrophobicContact CD1-CE2 4.35Å; I280-F442 HydrophobicContact CD1-CG 3.41Å; I280-F442 VanDerWaalsContact CD1-CG 3.41Å
281R93.2Very high90Very high151 Ų15159.4 Ų59.457%0.5731%0.307SS*.THydrogen-bonded Turntrans-100.413175.4-61.7176.8175.6175.3-2.2112.3L276 N277L276-R281 HydrophobicContact CD1-CG 4.35Å; L276-R281 VanDerWaalsContact O-CB 3.25Å; L276-R281 WeakPolarHBondContact O-CB 3.45Å; L276-R281 WeakPolarHBondContact O-CG 3.39Å; L276-R281 PolarHBondContact O-N 2.78Å; N277-R281 CarbonylContact O-C 3.45Å
282G89.9Confident90.1Very high26 Ų2660.7 Ų60.727%0.26831%0.313SS..SBendtrans-63.3159.7178.100000112V279 R284V279-G282 PolarHBondContact O-N 3.17Å; G282-R284 PolarHBondContact O-N 3.47Å
283N85.2Confident90.3Very high175 Ų17559.5 Ų59.594%0.93631%0.309SS*.SBendtrans-70.3-13.1-177.4-67.2-17.3000114
284R87.2Confident90.6Very high150 Ų15057.2 Ų57.257%0.56629%0.293SS*.SBendtrans-108.6140.9-177-65.3-177.1-179.7-168.21.1109.9G282G282-R284 PolarHBondContact O-N 3.47Å
285P88.6Confident90.7Very high113 Ų11357 Ų5773%0.73429%0.291SS*.PPolyproline II helixtrans-62.5144.7174.627.7-34000110.4Q225 K287Q225-P285 PolarHBondContact NE2-O 3.47Å; P285-K287 PolarHBondContact O-N 2.93Å
286I90.7Very high90.5Very high47 Ų4757.7 Ų57.724%0.24130%0.295CS..PPolyproline II helixtrans-73.1121.6177.8-68.1172.4000109.2V279 M290 A291 L294 Y437V279-I286 HydrophobicContact CG1-CD1 4.31Å; V279-I286 HydrophobicContact CG1-CG1 4.49Å; I286-M290 HydrophobicContact CG2-CB 3.93Å; I286-M290 HydrophobicContact CG2-CG 3.78Å; I286-A291 HydrophobicContact CG2-CB 3.76Å; I286-L294 HydrophobicContact CD1-CD1 3.88Å; I286-Y437 WeakPolarHBondContact CD1-OH 3.27Å
287K86.5Confident90.5Very high128 Ų12857.1 Ų57.156%0.55729%0.292SS*.PPolyproline II helixtrans-76.1161.9171.8-69.3177.8-174.3-173.50111Q225 P285 E289 M290 A291Q225-K287 VanDerWaalsContact OE1-CD 3.25Å; P285-K287 PolarHBondContact O-N 2.93Å; K287-E289 VanDerWaalsContact C-N 3.34Å; K287-E289 PolarHBondContact O-N 3.45Å; K287-M290 PolarHBondContact O-N 2.91Å; K287-M290 VanDerWaalsContact O-N 3.17Å; K287-A291 PolarHBondContact O-N 3.09Å
288A83Confident90.5Very high63 Ų6354 Ų5452%0.52128%0.276SS..Hα-helixtrans-51-48.2-17800000113.2M290 A291 H292A288-M290 PolarHBondContact O-N 3.37Å; A288-A291 WeakPolarHBondContact O-CB 3.34Å; A288-A291 PolarHBondContact O-N 2.9Å; A288-A291 VanDerWaalsContact O-N 3.15Å; A288-H292 PolarHBondContact O-N 3.02Å
289E83.5Confident90.3Very high64 Ų6451.7 Ų51.730%0.29927%0.266SS..Hα-helixtrans-63.3-43.3-178.9-17355.5-14800112.5T229 K287 A291 H292 Q293T229-E289 HydrophobicContact CG2-CB 4.32Å; T229-E289 HydrophobicContact CG2-CG 3.6Å; K287-E289 VanDerWaalsContact C-N 3.34Å; K287-E289 PolarHBondContact O-N 3.45Å; E289-A291 VanDerWaalsContact C-N 3.34Å; E289-A291 PolarHBondContact O-N 2.85Å; E289-H292 WeakPolarHBondContact O-CB 3.39Å; E289-H292 PolarHBondContact O-N 3.4Å; E289-Q293 WeakPolarHBondContact O-CG 3.45Å; E289-Q293 PolarHBondContact O-N 2.78Å; E289-Q293 PolarHBondContact OE1-NE2 2.56Å
290M92.3Very high89.9Confident1 Ų152.3 Ų52.31%0.00527%0.269CS..Hα-helixtrans-64.1-40.1174.5173.957.584.900111.6Q225 Q228 T229 I232 V279 I286 K287 A288 H292 Q293 L294Q225-M290 HydrophobicContact CG-CB 4.43Å; Q225-M290 HydrophobicContact CG-CE 4.41Å; Q228-M290 VanDerWaalsContact C-CE 3.43Å; Q228-M290 HydrophobicContact CB-CE 3.39Å; T229-M290 VanDerWaalsContact N-CE 3.28Å; T229-M290 WeakPolarHBondContact OG1-CE 3.13Å; I232-M290 HydrophobicContact CD1-CE 4.15Å; I232-M290 HydrophobicContact CD1-SD 3.76Å; V279-M290 HydrophobicContact CG1-CE 3.97Å; V279-M290 HydrophobicContact CG1-CG 3.81Å; V279-M290 HydrophobicContact CG1-SD 3.67Å; V279-M290 HydrophobicContact CG2-CE 4.4Å; I286-M290 HydrophobicContact CG2-CB 3.93Å; I286-M290 HydrophobicContact CG2-CG 3.78Å; K287-M290 PolarHBondContact O-N 2.91Å; K287-M290 VanDerWaalsContact O-N 3.17Å; A288-M290 PolarHBondContact O-N 3.37Å; M290-H292 VanDerWaalsContact C-N 3.31Å; M290-H292 PolarHBondContact O-N 3.32Å; M290-Q293 PolarHBondContact O-N 3.14Å; M290-L294 HydrophobicContact CG-CD1 4.47Å; M290-L294 WeakPolarHBondContact O-CG 3.48Å; M290-L294 PolarHBondContact O-N 3.14Å; M290-L294 HydrophobicContact SD-CG 4.23Å
291A90.2Very high89.6Confident12 Ų1253.4 Ų53.410%0.09928%0.277CS..Hα-helixtrans-61.9-40.9175.700000111.5I286 K287 A288 E289 L294 Y295 N435 Y437I286-A291 HydrophobicContact CG2-CB 3.76Å; K287-A291 PolarHBondContact O-N 3.09Å; A288-A291 WeakPolarHBondContact O-CB 3.34Å; A288-A291 PolarHBondContact O-N 2.9Å; A288-A291 VanDerWaalsContact O-N 3.15Å; E289-A291 VanDerWaalsContact C-N 3.34Å; E289-A291 PolarHBondContact O-N 2.85Å; A291-L294 PolarHBondContact O-N 3.08Å; A291-Y295 PolarHBondContact O-N 3.27Å; A291-N435 HydrophobicContact CB-CB 4.03Å; A291-Y437 HydrophobicContact CB-CE1 4.41Å
292H87.6Confident89.5Confident29 Ų2946.9 Ų46.913%0.13425%0.253CS..Hα-helixtrans-58.5-49172.5-176.753.4000111.2A288 E289 M290 L294 Y295 V296 N431 C434 N435A288-H292 PolarHBondContact O-N 3.02Å; E289-H292 WeakPolarHBondContact O-CB 3.39Å; E289-H292 PolarHBondContact O-N 3.4Å; M290-H292 VanDerWaalsContact C-N 3.31Å; M290-H292 PolarHBondContact O-N 3.32Å; H292-L294 VanDerWaalsContact C-N 3.29Å; H292-L294 PolarHBondContact O-N 3.29Å; H292-Y295 AromaticContact ND1-CD1 4Å; H292-Y295 WeakPolarHBondContact O-CB 3.47Å; H292-Y295 PolarHBondContact O-N 2.63Å; H292-Y295 VanDerWaalsContact O-N 3.1Å; H292-V296 WeakPolarHBondContact O-CG2 3.37Å; H292-V296 PolarHBondContact O-N 3.47Å; H292-N431 PolarHBondContact CE1-O 3.31Å; H292-N431 VanDerWaalsContact CE1-O 3.27Å; H292-C434 PolarHBondContact ND1-O 3.41Å; H292-N435 WeakPolarHBondContact CB-OD1 3.45Å
293Q93.4Very high89.3Confident19 Ų1947 Ų479%0.08925%0.248CC..Hα-helixtrans-62.4-34.1179.1-64.2-51.4-35.400113.1T229 I232 A233 N236 E289 M290 L297T229-Q293 HydrophobicContact CG2-CG 3.98Å; I232-Q293 HydrophobicContact CB-CB 4.29Å; I232-Q293 HydrophobicContact CG2-CB 3.81Å; A233-Q293 HydrophobicContact CB-CG 4.31Å; N236-Q293 PolarHBondContact ND2-O 2.81Å; N236-Q293 PolarHBondContact ND2-OE1 3.44Å; E289-Q293 WeakPolarHBondContact O-CG 3.45Å; E289-Q293 PolarHBondContact O-N 2.78Å; E289-Q293 PolarHBondContact OE1-NE2 2.56Å; M290-Q293 PolarHBondContact O-N 3.14Å; Q293-L297 WeakPolarHBondContact O-CB 3.28Å; Q293-L297 PolarHBondContact O-N 2.59Å
294L95.6Very high89.2Confident0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-70.2-38.4173-69.1175.5000112.7I232 I275 V279 I280 I286 M290 A291 H292 Q298 Y437 F442I232-L294 HydrophobicContact CD1-CD2 3.98Å; I275-L294 HydrophobicContact CG2-CD2 3.55Å; V279-L294 HydrophobicContact CG1-CD1 4.04Å; V279-L294 HydrophobicContact CG1-CD2 4.43Å; I280-L294 HydrophobicContact CG1-CD1 4.27Å; I286-L294 HydrophobicContact CD1-CD1 3.88Å; M290-L294 HydrophobicContact CG-CD1 4.47Å; M290-L294 WeakPolarHBondContact O-CG 3.48Å; M290-L294 PolarHBondContact O-N 3.14Å; M290-L294 HydrophobicContact SD-CG 4.23Å; A291-L294 PolarHBondContact O-N 3.08Å; H292-L294 VanDerWaalsContact C-N 3.29Å; H292-L294 PolarHBondContact O-N 3.29Å; L294-Q298 WeakPolarHBondContact O-CB 3.49Å; L294-Q298 PolarHBondContact O-N 3.12Å; L294-Y437 HydrophobicContact CB-CD1 4.08Å; L294-Y437 HydrophobicContact CB-CD2 4.36Å; L294-Y437 HydrophobicContact CB-CE1 4.28Å; L294-Y437 HydrophobicContact CB-CG 4.13Å; L294-Y437 HydrophobicContact CD1-CE1 3.9Å; L294-Y437 HydrophobicContact CD1-CE2 4.03Å; L294-F442 HydrophobicContact CD2-CE1 4.46Å; L294-F442 HydrophobicContact CD2-CZ 4.39Å
295Y93.9Very high89.2Confident15 Ų1535 Ų356%0.05919%0.194CC..Hα-helixtrans-61.4-51.1172.5158-100.1000110.7A291 H292 L297 Q298 V299 P430 N431 C434 D436A291-Y295 PolarHBondContact O-N 3.27Å; H292-Y295 AromaticContact ND1-CD1 4Å; H292-Y295 WeakPolarHBondContact O-CB 3.47Å; H292-Y295 PolarHBondContact O-N 2.63Å; H292-Y295 VanDerWaalsContact O-N 3.1Å; Y295-L297 VanDerWaalsContact C-N 3.31Å; Y295-L297 PolarHBondContact O-N 3.07Å; Y295-Q298 WeakPolarHBondContact O-CB 3.49Å; Y295-Q298 PolarHBondContact O-N 2.74Å; Y295-V299 HydrophobicContact CD2-CG2 3.95Å; Y295-V299 HydrophobicContact CE1-CG2 4.31Å; Y295-V299 HydrophobicContact CE2-CG2 3.44Å; Y295-V299 VanDerWaalsContact CE2-CG2 3.44Å; Y295-V299 WeakPolarHBondContact O-CG2 3.43Å; Y295-V299 PolarHBondContact O-N 3.2Å; Y295-P430 HydrophobicContact CE1-CB 4.23Å; Y295-N431 HydrophobicContact CE1-CB 4.42Å; Y295-N431 WeakPolarHBondContact OH-CB 3.29Å; Y295-N431 PolarHBondContact OH-N 3.2Å; Y295-N431 VanDerWaalsContact OH-N 3.11Å; Y295-N431 PolarHBondContact OH-OD1 3.09Å; Y295-C434 HydrophobicContact CD1-CB 3.93Å; Y295-C434 WeakPolarHBondContact CD1-O 3.49Å; Y295-C434 HydrophobicContact CD2-CB 4.42Å; Y295-C434 HydrophobicContact CE1-CB 3.57Å; Y295-C434 HydrophobicContact CE2-CB 4.08Å; Y295-C434 HydrophobicContact CG-CB 4.34Å; Y295-D436 WeakPolarHBondContact CD2-O 3.44Å
296V89.9Confident89.1Confident17 Ų1733.3 Ų33.310%0.10318%0.177CC..Hα-helixtrans-55.8-47.9176.81730000110.2N236 H292 Q298 V299 L300 P430N236-V296 HydrophobicContact CB-CG1 3.91Å; H292-V296 WeakPolarHBondContact O-CG2 3.37Å; H292-V296 PolarHBondContact O-N 3.47Å; V296-Q298 VanDerWaalsContact C-N 3.3Å; V296-Q298 PolarHBondContact O-N 2.75Å; V296-V299 PolarHBondContact O-N 3.11Å; V296-L300 HydrophobicContact CG1-CD1 3.85Å; V296-L300 HydrophobicContact CG1-CG 4.31Å; V296-L300 VanDerWaalsContact O-CG 3.24Å; V296-L300 WeakPolarHBondContact O-CG 3.16Å; V296-L300 PolarHBondContact O-N 3.09Å; V296-P430 HydrophobicContact CB-CB 4.26Å; V296-P430 HydrophobicContact CG1-CB 4.1Å; V296-P430 HydrophobicContact CG1-CG 3.98Å; V296-P430 HydrophobicContact CG2-CB 3.9Å
297L93.1Very high88.6Confident4 Ų434.3 Ų34.32%0.02118%0.18CC..Hα-helixtrans-59.9-41.2178-179.561.4000112.1I232 N236 F239 I275 Q293 Y295 T301 F442I232-L297 HydrophobicContact CG2-CD2 4.42Å; N236-L297 VanDerWaalsContact OD1-CA 3.31Å; N236-L297 WeakPolarHBondContact OD1-CA 3.3Å; N236-L297 VanDerWaalsContact OD1-CB 3.3Å; N236-L297 WeakPolarHBondContact OD1-CB 3.49Å; N236-L297 WeakPolarHBondContact OD1-CD1 3.19Å; F239-L297 HydrophobicContact CD2-CD1 4.14Å; F239-L297 HydrophobicContact CE2-CD1 3.97Å; I275-L297 HydrophobicContact CD1-CD2 3.35Å; Q293-L297 WeakPolarHBondContact O-CB 3.28Å; Q293-L297 PolarHBondContact O-N 2.59Å; Y295-L297 VanDerWaalsContact C-N 3.31Å; Y295-L297 PolarHBondContact O-N 3.07Å; L297-T301 WeakPolarHBondContact O-CB 3.45Å; L297-T301 PolarHBondContact O-N 3.42Å; L297-T301 PolarHBondContact O-OG1 2.85Å; L297-F442 HydrophobicContact CD2-CE1 4.14Å
298Q93.7Very high88.7Confident11 Ų1130.4 Ų30.45%0.05116%0.162CC..Hα-helixtrans-65.6-44.4178.9176161.796.700111.8L294 Y295 V296 T301 F302 H438 F442L294-Q298 WeakPolarHBondContact O-CB 3.49Å; L294-Q298 PolarHBondContact O-N 3.12Å; Y295-Q298 WeakPolarHBondContact O-CB 3.49Å; Y295-Q298 PolarHBondContact O-N 2.74Å; V296-Q298 VanDerWaalsContact C-N 3.3Å; V296-Q298 PolarHBondContact O-N 2.75Å; Q298-T301 PolarHBondContact O-N 2.86Å; Q298-F302 HydrophobicContact CG-CD2 3.86Å; Q298-F302 HydrophobicContact CG-CE2 3.34Å; Q298-F302 HydrophobicContact CG-CZ 3.78Å; Q298-F302 WeakPolarHBondContact O-CD2 3.49Å; Q298-F302 WeakPolarHBondContact O-CG 3.44Å; Q298-F302 PolarHBondContact O-N 3.48Å; Q298-H438 PolarHBondContact NE2-O 2.9Å; Q298-F442 HydrophobicContact CB-CE2 4.38Å; Q298-F442 HydrophobicContact CB-CZ 4.27Å
299V89.3Confident89.1Confident19 Ų1928.1 Ų28.112%0.11514%0.141CC..Hα-helixtrans-60.3-49.6174.7173.50000110.6Y295 V296 T301 F302 N303 E428 P430Y295-V299 HydrophobicContact CD2-CG2 3.95Å; Y295-V299 HydrophobicContact CE1-CG2 4.31Å; Y295-V299 HydrophobicContact CE2-CG2 3.44Å; Y295-V299 VanDerWaalsContact CE2-CG2 3.44Å; Y295-V299 WeakPolarHBondContact O-CG2 3.43Å; Y295-V299 PolarHBondContact O-N 3.2Å; V296-V299 PolarHBondContact O-N 3.11Å; V299-T301 VanDerWaalsContact C-N 3.27Å; V299-T301 PolarHBondContact O-N 3.33Å; V299-F302 PolarHBondContact O-N 3.36Å; V299-F302 VanDerWaalsContact O-N 3.11Å; V299-N303 VanDerWaalsContact O-CG 3.25Å; V299-N303 PolarHBondContact O-N 2.86Å; V299-N303 PolarHBondContact O-OD1 3.32Å; V299-E428 WeakPolarHBondContact CG1-O 3.33Å; V299-P430 HydrophobicContact CB-CB 4.44Å; V299-P430 HydrophobicContact CB-CG 4.09Å; V299-P430 HydrophobicContact CG1-CB 4.34Å; V299-P430 HydrophobicContact CG1-CG 3.8Å
300L86.4Confident89.2Confident19 Ų1929.6 Ų29.610%0.09915%0.149CC..Hα-helixtrans-59.9-39177.9-65174.3000112N236 F239 L240 V296 N303 L304 P430N236-L300 HydrophobicContact CB-CD1 4.1Å; F239-L300 HydrophobicContact CB-CD1 4.17Å; L240-L300 HydrophobicContact CD1-CD2 4.03Å; V296-L300 HydrophobicContact CG1-CD1 3.85Å; V296-L300 HydrophobicContact CG1-CG 4.31Å; V296-L300 VanDerWaalsContact O-CG 3.24Å; V296-L300 WeakPolarHBondContact O-CG 3.16Å; V296-L300 PolarHBondContact O-N 3.09Å; L300-N303 PolarHBondContact O-N 3.35Å; L300-L304 PolarHBondContact O-N 3.01Å; L300-P430 HydrophobicContact CD2-CG 4.05Å; L300-P430 HydrophobicContact CG-CG 4.2Å
301T88.3Confident89Confident58 Ų5831.5 Ų31.536%0.35616%0.16SC..Hα-helixtrans-65.4-40.8176.2-56.30000111.5L297 Q298 V299 L304L297-T301 WeakPolarHBondContact O-CB 3.45Å; L297-T301 PolarHBondContact O-N 3.42Å; L297-T301 PolarHBondContact O-OG1 2.85Å; Q298-T301 PolarHBondContact O-N 2.86Å; V299-T301 VanDerWaalsContact C-N 3.27Å; V299-T301 PolarHBondContact O-N 3.33Å; T301-L304 WeakPolarHBondContact O-CB 3.21Å; T301-L304 PolarHBondContact O-N 3.46Å
302F90.7Very high89.1Confident15 Ų1537.1 Ų37.17%0.06618%0.183CC..Hα-helixtrans-67.1-37.1175.6-70.9-33.7000112.6Q298 V299 L304 L305 L424 V426 F441Q298-F302 HydrophobicContact CG-CD2 3.86Å; Q298-F302 HydrophobicContact CG-CE2 3.34Å; Q298-F302 HydrophobicContact CG-CZ 3.78Å; Q298-F302 WeakPolarHBondContact O-CD2 3.49Å; Q298-F302 WeakPolarHBondContact O-CG 3.44Å; Q298-F302 PolarHBondContact O-N 3.48Å; V299-F302 PolarHBondContact O-N 3.36Å; V299-F302 VanDerWaalsContact O-N 3.11Å; F302-L304 PolarHBondContact O-N 3.26Å; F302-L304 VanDerWaalsContact O-N 3.14Å; F302-L305 WeakPolarHBondContact O-CB 3.42Å; F302-L305 WeakPolarHBondContact O-CG 3.33Å; F302-L305 PolarHBondContact O-N 3.48Å; F302-L424 HydrophobicContact CD2-CB 4.45Å; F302-L424 HydrophobicContact CE1-CD1 4.49Å; F302-L424 HydrophobicContact CE2-CB 4.33Å; F302-L424 HydrophobicContact CE2-CD2 4.24Å; F302-L424 HydrophobicContact CZ-CD1 4.25Å; F302-L424 HydrophobicContact CZ-CD2 4.36Å; F302-V426 HydrophobicContact CB-CG2 4.3Å; F302-F441 AromaticContact CE1-CD1 3.74Å; F302-F441 HydrophobicContact CE1-CD1 3.74Å; F302-F441 HydrophobicContact CE1-CD2 4.39Å; F302-F441 AromaticContact CE1-CE1 3.95Å; F302-F441 HydrophobicContact CE1-CE1 3.95Å; F302-F441 AromaticContact CE1-CG 3.99Å; F302-F441 HydrophobicContact CE1-CG 3.99Å; F302-F441 HydrophobicContact CE1-CZ 4.34Å; F302-F441 HydrophobicContact CZ-CB 4.37Å; F302-F441 AromaticContact CZ-CD1 3.87Å; F302-F441 HydrophobicContact CZ-CD1 3.87Å; F302-F441 AromaticContact CZ-CD2 3.68Å; F302-F441 HydrophobicContact CZ-CD2 3.68Å; F302-F441 HydrophobicContact CZ-CE1 4.01Å; F302-F441 AromaticContact CZ-CE2 3.79Å; F302-F441 HydrophobicContact CZ-CE2 3.79Å; F302-F441 AromaticContact CZ-CG 3.71Å; F302-F441 HydrophobicContact CZ-CG 3.71Å; F302-F441 AromaticContact CZ-CZ 3.96Å; F302-F441 HydrophobicContact CZ-CZ 3.96Å
303N85.7Confident89.4Confident28 Ų2836 Ų3615%0.1518%0.177CC..Hα-helixtrans-66.3-16.2179.5-67.5-1.9000113.3V299 L300 L305 E306 G427 E428V299-N303 VanDerWaalsContact O-CG 3.25Å; V299-N303 PolarHBondContact O-N 2.86Å; V299-N303 PolarHBondContact O-OD1 3.32Å; L300-N303 PolarHBondContact O-N 3.35Å; N303-L305 PolarHBondContact O-N 3.47Å; N303-E306 VanDerWaalsContact O-CB 3.23Å; N303-E306 WeakPolarHBondContact O-CB 3.42Å; N303-E306 PolarHBondContact O-N 3.43Å; N303-G427 WeakPolarHBondContact OD1-CA 3.27Å; N303-G427 PolarHBondContact OD1-N 3.17Å; N303-E428 PolarHBondContact ND2-O 3.18Å
304L84.1Confident89.3Confident46 Ų4638.7 Ų38.724%0.24119%0.193CC..THydrogen-bonded Turntrans-61.2-21.3168.3-58.5175.1000112.5A263 L266 L300 T301 F302A263-L304 HydrophobicContact CB-CD1 4.06Å; L266-L304 HydrophobicContact CD1-CD1 3.98Å; L300-L304 PolarHBondContact O-N 3.01Å; T301-L304 WeakPolarHBondContact O-CB 3.21Å; T301-L304 PolarHBondContact O-N 3.46Å; F302-L304 PolarHBondContact O-N 3.26Å; F302-L304 VanDerWaalsContact O-N 3.14Å
305L87.6Confident89.1Confident27 Ų2740 Ų4014%0.14120%0.201CC..THydrogen-bonded Turntrans-83.6-16.7176.9-53.2171.3000112.6F302 N303 E307 R308 M309 L375 V426 W448F302-L305 WeakPolarHBondContact O-CB 3.42Å; F302-L305 WeakPolarHBondContact O-CG 3.33Å; F302-L305 PolarHBondContact O-N 3.48Å; N303-L305 PolarHBondContact O-N 3.47Å; L305-E307 VanDerWaalsContact C-N 3.32Å; L305-E307 PolarHBondContact O-N 3.46Å; L305-R308 PolarHBondContact O-N 3.49Å; L305-M309 WeakPolarHBondContact O-CB 3.26Å; L305-M309 PolarHBondContact O-N 3.48Å; L305-L375 HydrophobicContact CB-CD1 4.48Å; L305-L375 HydrophobicContact CB-CD2 4.18Å; L305-L375 HydrophobicContact CD2-CD1 4.27Å; L305-V426 HydrophobicContact CB-CG1 4.14Å; L305-W448 HydrophobicContact CD1-CB 4.07Å; L305-W448 HydrophobicContact CD1-CD2 3.34Å; L305-W448 HydrophobicContact CD1-CE3 3.51Å; L305-W448 HydrophobicContact CD1-CG 3.55Å; L305-W448 HydrophobicContact CD1-CZ2 4.42Å; L305-W448 HydrophobicContact CD1-CZ3 4.1Å; L305-W448 HydrophobicContact CD2-CG 4.48Å
306E85.2Confident89Confident78 Ų7844.2 Ų44.236%0.36423%0.233SC..Hα-helixtrans-60.3-41.2-174.1-172.8-175.2-169.400111.7N303 R308 M309 M310 V426 G427N303-E306 VanDerWaalsContact O-CB 3.23Å; N303-E306 WeakPolarHBondContact O-CB 3.42Å; N303-E306 PolarHBondContact O-N 3.43Å; E306-R308 VanDerWaalsContact C-N 3.34Å; E306-R308 PolarHBondContact O-N 3.05Å; E306-M309 HydrophobicContact CG-CE 3.94Å; E306-M309 CarbonylContact O-C 3.58Å; E306-M309 WeakPolarHBondContact O-CB 3.49Å; E306-M309 PolarHBondContact O-N 2.98Å; E306-M309 VanDerWaalsContact O-N 3.15Å; E306-M310 HydrophobicContact CG-CG 4.21Å; E306-M310 WeakPolarHBondContact O-CB 3.49Å; E306-M310 WeakPolarHBondContact O-CG 3.23Å; E306-M310 PolarHBondContact O-N 3.25Å; E306-V426 HydrophobicContact CB-CG1 4.38Å; E306-G427 VanDerWaalsContact CD-CA 3.42Å
307E81.5Confident89.1Confident68 Ų6846 Ų4632%0.31824%0.242SC..Hα-helixtrans-56.4-49.8177.7-175-172.2156.700110.7L305 M310 T311L305-E307 VanDerWaalsContact C-N 3.32Å; L305-E307 PolarHBondContact O-N 3.46Å; E307-M310 CarbonylContact O-C 3.6Å; E307-M310 PolarHBondContact O-N 3.16Å; E307-T311 WeakPolarHBondContact O-CB 3.34Å; E307-T311 PolarHBondContact O-N 2.88Å; E307-T311 PolarHBondContact O-OG1 2.87Å
308R87.9Confident88.9Confident46 Ų4651.2 Ų51.217%0.17427%0.266CS..Hα-helixtrans-68.9-34.8178.4-65.9-61.5-64.4162.4-14.9112.2L305 E306 M310 T311 M374 L375 D378L305-R308 PolarHBondContact O-N 3.49Å; E306-R308 VanDerWaalsContact C-N 3.34Å; E306-R308 PolarHBondContact O-N 3.05Å; R308-M310 VanDerWaalsContact C-N 3.26Å; R308-M310 PolarHBondContact O-N 2.94Å; R308-T311 PolarHBondContact O-N 2.7Å; R308-M374 VanDerWaalsContact NH2-CB 3.33Å; R308-M374 PolarHBondContact O-N 2.96Å; R308-L375 HydrophobicContact CB-CB 4.15Å; R308-L375 HydrophobicContact CB-CD1 4.35Å; R308-L375 PolarHBondContact O-N 2.88Å; R308-L375 VanDerWaalsContact O-N 3.16Å; R308-D378 IonicContact CZ-OD1 3.25Å; R308-D378 IonicContact CZ-OD2 2.66Å; R308-D378 IonicContact NE-OD1 2.97Å; R308-D378 IonicContact NE-OD2 3.26Å; R308-D378 PolarHBondContact NE-OD2 3.06Å; R308-D378 IonicContact NH2-OD1 2.93Å; R308-D378 PolarHBondContact NH2-OD1 3.13Å; R308-D378 IonicContact NH2-OD2 2.78Å; R308-D378 PolarHBondContact NH2-OD2 3.4Å
309M90.1Very high88.7Confident14 Ų1452.1 Ų52.17%0.06928%0.275CS..Hα-helixtrans-61.7-35.3174.4-175.8-176.371.700112L305 E306 T370 P371 P372 G373 L375 C421 V426L305-M309 WeakPolarHBondContact O-CB 3.26Å; L305-M309 PolarHBondContact O-N 3.48Å; E306-M309 HydrophobicContact CG-CE 3.94Å; E306-M309 CarbonylContact O-C 3.58Å; E306-M309 WeakPolarHBondContact O-CB 3.49Å; E306-M309 PolarHBondContact O-N 2.98Å; E306-M309 VanDerWaalsContact O-N 3.15Å; M309-T370 WeakPolarHBondContact O-CG2 3.4Å; M309-P371 HydrophobicContact CG-CB 3.8Å; M309-P371 HydrophobicContact SD-CB 4.18Å; M309-P372 CarbonylContact C-O 3.58Å; M309-P372 WeakPolarHBondContact CA-O 3.34Å; M309-P372 CarbonylContact O-C 3.53Å; M309-P372 VanDerWaalsContact O-O 3.09Å; M309-G373 PolarHBondContact O-N 3.48Å; M309-L375 HydrophobicContact CB-CB 4.46Å; M309-L375 HydrophobicContact CB-CD2 3.94Å; M309-L375 HydrophobicContact CG-CD2 4.44Å; M309-C421 HydrophobicContact SD-CB 3.55Å; M309-C421 VanDerWaalsContact SD-CB 3.55Å; M309-C421 PolarHBondContact SD-SG 3.26Å; M309-V426 HydrophobicContact CE-CG1 4.31Å; M309-V426 HydrophobicContact SD-CB 4.24Å; M309-V426 HydrophobicContact SD-CG1 4.02Å
310M86.1Confident88.7Confident95 Ų9553 Ų5347%0.46828%0.278SS..Hα-helixtrans-98.3-7.9-177.6-62.4-55.7-74.900113.6E306 E307 R308 K312 T370E306-M310 HydrophobicContact CG-CG 4.21Å; E306-M310 WeakPolarHBondContact O-CB 3.49Å; E306-M310 WeakPolarHBondContact O-CG 3.23Å; E306-M310 PolarHBondContact O-N 3.25Å; E307-M310 CarbonylContact O-C 3.6Å; E307-M310 PolarHBondContact O-N 3.16Å; R308-M310 VanDerWaalsContact C-N 3.26Å; R308-M310 PolarHBondContact O-N 2.94Å; M310-K312 PolarHBondContact O-N 3.04Å; M310-T370 WeakPolarHBondContact O-CG2 3.49Å
311T88.9Confident88.8Confident41 Ų4157 Ų5725%0.25229%0.292SS..PPolyproline II helixtrans-76.1118.3173.8-60.70000109.9E307 R308 G373 M374E307-T311 WeakPolarHBondContact O-CB 3.34Å; E307-T311 PolarHBondContact O-N 2.88Å; E307-T311 PolarHBondContact O-OG1 2.87Å; R308-T311 PolarHBondContact O-N 2.7Å; T311-G373 CarbonylContact O-C 3.58Å; T311-G373 WeakPolarHBondContact O-CA 3.39Å; T311-M374 HydrophobicContact CG2-CB 4.39Å; T311-M374 HydrophobicContact CG2-CG 3.79Å; T311-M374 WeakPolarHBondContact O-CG 3.04Å; T311-M374 PolarHBondContact O-N 3.24Å
312K92.3Very high88.9Confident130 Ų13058 Ų5857%0.56530%0.295SS*.PPolyproline II helixtrans-78.4142171.4-61.4-177176.2-175.50110M310 T368 T370M310-K312 PolarHBondContact O-N 3.04Å; K312-T368 VanDerWaalsContact CD-O 3.22Å; K312-T368 WeakPolarHBondContact CD-O 3.38Å; K312-T368 WeakPolarHBondContact CE-O 3.33Å; K312-T368 VanDerWaalsContact CG-O 3.29Å; K312-T368 WeakPolarHBondContact CG-O 3.42Å; K312-T370 HydrophobicContact CB-CG2 4.49Å; K312-T370 WeakPolarHBondContact CE-OG1 3.33Å; K312-T370 HydrophobicContact CG-CG2 3.58Å
313M93.2Very high89Confident5 Ų558 Ų583%0.02530%0.295CS..PPolyproline II helixtrans-65.7140.2168.1-166.2177.7-177.300110.3P315 Q320 R321 I324 A364 F367 M374 L377M313-P315 WeakPolarHBondContact O-CD 3.27Å; M313-Q320 HydrophobicContact CE-CB 3.51Å; M313-Q320 VanDerWaalsContact CE-O 3.25Å; M313-Q320 WeakPolarHBondContact CE-O 3.41Å; M313-Q320 HydrophobicContact CG-CB 4.19Å; M313-R321 HydrophobicContact CE-CG 4.33Å; M313-I324 HydrophobicContact CE-CD1 3.52Å; M313-I324 HydrophobicContact CE-CG1 4.08Å; M313-I324 HydrophobicContact SD-CD1 3.74Å; M313-A364 HydrophobicContact CE-CB 3.69Å; M313-A364 HydrophobicContact CG-CB 4.45Å; M313-A364 WeakPolarHBondContact SD-CA 3.23Å; M313-A364 HydrophobicContact SD-CB 3.47Å; M313-A364 WeakPolarHBondContact SD-CB 3.25Å; M313-F367 HydrophobicContact CB-CB 3.6Å; M313-F367 HydrophobicContact CG-CB 4.36Å; M313-F367 PolarHBondContact N-O 3.39Å; M313-F367 VanDerWaalsContact N-O 3.09Å; M313-F367 HydrophobicContact SD-CB 3.92Å; M313-F367 HydrophobicContact SD-CD2 3.84Å; M313-F367 HydrophobicContact SD-CG 4.22Å; M313-M374 VanDerWaalsContact CA-SD 3.54Å; M313-M374 HydrophobicContact CB-CG 4.46Å; M313-M374 HydrophobicContact CB-SD 3.43Å; M313-M374 WeakPolarHBondContact CB-SD 3.35Å; M313-M374 HydrophobicContact CG-SD 3.59Å; M313-M374 VanDerWaalsContact CG-SD 3.59Å; M313-M374 HydrophobicContact SD-SD 4.44Å; M313-L377 HydrophobicContact CE-CD2 4.46Å; M313-L377 HydrophobicContact SD-CD2 4.48Å
314D92.1Very high89.4Confident77 Ų7756.8 Ų56.841%0.41229%0.289SS..  trans-89.8110.9165.1-177.7-6.4000108.9S316 D317D314-S316 PolarHBondContact O-N 3.15Å; D314-S316 VanDerWaalsContact O-N 3.11Å; D314-S316 WeakPolarHBondContact OD1-CB 3.49Å; D314-S316 PolarHBondContact OD1-N 3.43Å; D314-S316 PolarHBondContact OD1-OG 3.28Å; D314-D317 HydrophobicContact CB-CB 3.94Å; D314-D317 PolarHBondContact O-N 3.05Å; D314-D317 VanDerWaalsContact O-N 3.15Å
315P91.5Very high89.8Confident28 Ų2857.5 Ų57.518%0.18229%0.291CS..THydrogen-bonded Turntrans-66.2-11.6-179.9-19.233.4000114.3M313 R321 A364 M365 T368M313-P315 WeakPolarHBondContact O-CD 3.27Å; P315-R321 WeakPolarHBondContact O-CD 3.43Å; P315-A364 HydrophobicContact CB-CB 3.98Å; P315-A364 HydrophobicContact CG-CB 4.49Å; P315-M365 HydrophobicContact CB-SD 4.04Å; P315-M365 HydrophobicContact CG-SD 3.61Å; P315-T368 HydrophobicContact CG-CG2 3.76Å
316S91.3Very high90Very high102 Ų10257.8 Ų57.871%0.71329%0.291SS*.THydrogen-bonded Turntrans-92.1-18.9177.9-470000112.6D314 Q318D314-S316 PolarHBondContact O-N 3.15Å; D314-S316 VanDerWaalsContact O-N 3.11Å; D314-S316 WeakPolarHBondContact OD1-CB 3.49Å; D314-S316 PolarHBondContact OD1-N 3.43Å; D314-S316 PolarHBondContact OD1-OG 3.28Å; S316-Q318 PolarHBondContact O-N 3.11Å
317D91.8Very high90.4Very high56 Ų5654.1 Ų54.130%0.29927%0.274SS..  trans-74.9115.3-179.6-176.7-17000110.7D314 A319 Q320 R321D314-D317 HydrophobicContact CB-CB 3.94Å; D314-D317 PolarHBondContact O-N 3.05Å; D314-D317 VanDerWaalsContact O-N 3.15Å; D317-A319 VanDerWaalsContact C-N 3.34Å; D317-A319 PolarHBondContact O-N 3.45Å; D317-A319 WeakPolarHBondContact OD1-CB 3.28Å; D317-A319 PolarHBondContact OD1-N 3.16Å; D317-Q320 HydrophobicContact CB-CB 4.3Å; D317-Q320 HydrophobicContact CB-CG 4.11Å; D317-Q320 PolarHBondContact O-N 3.26Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.19Å; D317-Q320 PolarHBondContact OD2-NE2 3.26Å; D317-R321 VanDerWaalsContact O-CG 3.3Å; D317-R321 WeakPolarHBondContact O-CG 3.13Å; D317-R321 PolarHBondContact O-N 2.84Å
318Q89.2Confident91Very high112 Ų11251 Ų5152%0.52326%0.259SS..Hα-helixtrans-63.9-38.3-178.7-172.758.647.400112.4S316 Q320 R321 D322S316-Q318 PolarHBondContact O-N 3.11Å; Q318-Q320 VanDerWaalsContact C-N 3.33Å; Q318-Q320 PolarHBondContact O-N 2.87Å; Q318-R321 WeakPolarHBondContact O-CB 3.35Å; Q318-R321 PolarHBondContact O-N 3.16Å; Q318-R321 VanDerWaalsContact O-N 3.16Å; Q318-D322 PolarHBondContact NE2-OD1 3.15Å; Q318-D322 PolarHBondContact O-N 2.93Å
319A89.1Confident91.1Very high30 Ų3053.5 Ų53.525%0.24827%0.269CS..Hα-helixtrans-65.4-38.5-177.400000111.8P254 D317 D322P254-A319 HydrophobicContact CB-CB 4.06Å; P254-A319 HydrophobicContact CG-CB 3.6Å; D317-A319 VanDerWaalsContact C-N 3.34Å; D317-A319 PolarHBondContact O-N 3.45Å; D317-A319 WeakPolarHBondContact OD1-CB 3.28Å; D317-A319 PolarHBondContact OD1-N 3.16Å; A319-D322 PolarHBondContact O-N 3.42Å
320Q88.8Confident91.2Very high39 Ų3953.5 Ų53.518%0.18227%0.269CS..Hα-helixtrans-68.5-38.2175.5-63178.637.900111.2M313 D317 Q318 D322 I323 M374M313-Q320 HydrophobicContact CE-CB 3.51Å; M313-Q320 VanDerWaalsContact CE-O 3.25Å; M313-Q320 WeakPolarHBondContact CE-O 3.41Å; M313-Q320 HydrophobicContact CG-CB 4.19Å; D317-Q320 HydrophobicContact CB-CB 4.3Å; D317-Q320 HydrophobicContact CB-CG 4.11Å; D317-Q320 PolarHBondContact O-N 3.26Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.19Å; D317-Q320 PolarHBondContact OD2-NE2 3.26Å; Q318-Q320 VanDerWaalsContact C-N 3.33Å; Q318-Q320 PolarHBondContact O-N 2.87Å; Q320-D322 VanDerWaalsContact C-N 3.3Å; Q320-D322 PolarHBondContact O-N 3.1Å; Q320-I323 WeakPolarHBondContact O-CB 3.48Å; Q320-I323 PolarHBondContact O-N 2.83Å; Q320-M374 HydrophobicContact CB-CE 4.44Å; Q320-M374 HydrophobicContact CG-CE 4.07Å
321R90.3Very high91.4Very high102 Ų10249.3 Ų49.339%0.38525%0.249SC..Hα-helixtrans-66-33.4175.6-66.9177.676.9175.34.7112.6M313 P315 D317 Q318 I323 I324 F325M313-R321 HydrophobicContact CE-CG 4.33Å; P315-R321 WeakPolarHBondContact O-CD 3.43Å; D317-R321 VanDerWaalsContact O-CG 3.3Å; D317-R321 WeakPolarHBondContact O-CG 3.13Å; D317-R321 PolarHBondContact O-N 2.84Å; Q318-R321 WeakPolarHBondContact O-CB 3.35Å; Q318-R321 PolarHBondContact O-N 3.16Å; Q318-R321 VanDerWaalsContact O-N 3.16Å; R321-I323 PolarHBondContact O-N 3.32Å; R321-I324 PolarHBondContact O-N 3.43Å; R321-I324 VanDerWaalsContact O-N 3.12Å; R321-F325 PolarHBondContact O-N 3.4Å
322D90.6Very high91.3Very high78 Ų7849.4 Ų49.442%0.41725%0.246SC..Hα-helixtrans-62.6-29.1176.7-67.3-20.4000111.6Q318 A319 Q320 F325 E326Q318-D322 PolarHBondContact NE2-OD1 3.15Å; Q318-D322 PolarHBondContact O-N 2.93Å; A319-D322 PolarHBondContact O-N 3.42Å; Q320-D322 VanDerWaalsContact C-N 3.3Å; Q320-D322 PolarHBondContact O-N 3.1Å; D322-F325 WeakPolarHBondContact O-CB 3.22Å; D322-F325 PolarHBondContact O-N 2.95Å; D322-E326 WeakPolarHBondContact O-CB 3.35Å; D322-E326 PolarHBondContact O-N 2.88Å
323I92.8Very high90.5Very high15 Ų1546.3 Ų46.38%0.07724%0.236CC..Hα-helixtrans-65.6-44.8173.1-57.2170.4000111.1Q320 R321 F325 E326 L327 L377 L381Q320-I323 WeakPolarHBondContact O-CB 3.48Å; Q320-I323 PolarHBondContact O-N 2.83Å; R321-I323 PolarHBondContact O-N 3.32Å; I323-F325 VanDerWaalsContact C-N 3.3Å; I323-F325 PolarHBondContact O-N 3.34Å; I323-E326 WeakPolarHBondContact O-CB 3.41Å; I323-E326 PolarHBondContact O-N 2.95Å; I323-L327 PolarHBondContact O-N 3.2Å; I323-L377 HydrophobicContact CB-CD2 4.14Å; I323-L377 HydrophobicContact CD1-CD2 4.4Å; I323-L377 HydrophobicContact CG2-CD1 3.96Å; I323-L377 HydrophobicContact CG2-CD2 3.95Å; I323-L377 HydrophobicContact CG2-CG 3.81Å; I323-L381 HydrophobicContact CG2-CB 4.41Å; I323-L381 HydrophobicContact CG2-CD1 4.19Å; I323-L381 HydrophobicContact CG2-CD2 3.89Å; I323-L381 HydrophobicContact CG2-CG 4.38Å
324I93.9Very high88.8Confident3 Ų349 Ų492%0.01527%0.265CS..Hα-helixtrans-66.4-37.1175.9-58178.5000110.7M313 R321 E326 L327 R328 Y352 F357 P363 A364 F367 L377M313-I324 HydrophobicContact CE-CD1 3.52Å; M313-I324 HydrophobicContact CE-CG1 4.08Å; M313-I324 HydrophobicContact SD-CD1 3.74Å; R321-I324 PolarHBondContact O-N 3.43Å; R321-I324 VanDerWaalsContact O-N 3.12Å; I324-E326 VanDerWaalsContact C-N 3.33Å; I324-L327 WeakPolarHBondContact O-CB 3.46Å; I324-L327 PolarHBondContact O-N 2.96Å; I324-R328 PolarHBondContact O-N 3.49Å; I324-R328 VanDerWaalsContact O-N 3.13Å; I324-Y352 HydrophobicContact CG2-CD1 4.33Å; I324-Y352 HydrophobicContact CG2-CE1 3.75Å; I324-F357 HydrophobicContact CG2-CE2 4.26Å; I324-F357 HydrophobicContact CG2-CZ 4.27Å; I324-P363 HydrophobicContact CD1-CB 4.42Å; I324-P363 HydrophobicContact CD1-CG 4.33Å; I324-P363 HydrophobicContact CG2-CB 4.22Å; I324-P363 HydrophobicContact CG2-CG 3.73Å; I324-A364 HydrophobicContact CD1-CB 4.13Å; I324-F367 HydrophobicContact CD1-CD2 3.91Å; I324-F367 HydrophobicContact CD1-CE2 3.71Å; I324-F367 HydrophobicContact CG1-CE2 4.19Å; I324-L377 HydrophobicContact CG1-CD1 3.8Å; I324-L377 HydrophobicContact CG1-CD2 4.33Å
325F91.1Very high86.4Confident62 Ų6255 Ų5527%0.27229%0.291SS..Hα-helixtrans-61.5-42.4173.3-176.8-94.4000111.5R321 D322 I323 L327 R328 R329 Y348R321-F325 PolarHBondContact O-N 3.4Å; D322-F325 WeakPolarHBondContact O-CB 3.22Å; D322-F325 PolarHBondContact O-N 2.95Å; I323-F325 VanDerWaalsContact C-N 3.3Å; I323-F325 PolarHBondContact O-N 3.34Å; F325-L327 PolarHBondContact O-N 3.33Å; F325-R328 WeakPolarHBondContact O-CB 3.42Å; F325-R328 PolarHBondContact O-N 3.46Å; F325-R329 WeakPolarHBondContact O-CB 3.49Å; F325-R329 PolarHBondContact O-N 3.41Å; F325-Y348 HydrophobicContact CE2-CE1 4.21Å; F325-Y348 HydrophobicContact CE2-CE2 4.12Å; F325-Y348 AromaticContact CE2-CZ 3.83Å
326E92.8Very high84.6Confident33 Ų3361 Ų6115%0.15432%0.321CS..Hα-helixtrans-62.6-40.9176.5-177.963-174.800112.2D322 I323 I324 R328 R329 I330 L381 K385D322-E326 WeakPolarHBondContact O-CB 3.35Å; D322-E326 PolarHBondContact O-N 2.88Å; I323-E326 WeakPolarHBondContact O-CB 3.41Å; I323-E326 PolarHBondContact O-N 2.95Å; I324-E326 VanDerWaalsContact C-N 3.33Å; E326-R328 VanDerWaalsContact C-N 3.32Å; E326-R328 PolarHBondContact O-N 2.85Å; E326-R329 WeakPolarHBondContact O-CB 3.29Å; E326-R329 PolarHBondContact O-N 2.88Å; E326-R329 IonicContact OE1-CZ 3.9Å; E326-R329 IonicContact OE1-NE 3.15Å; E326-R329 IonicContact OE1-NH2 3.37Å; E326-R329 PolarHBondContact OE1-NH2 3.25Å; E326-R329 IonicContact OE2-CZ 2.64Å; E326-R329 IonicContact OE2-NE 2.81Å; E326-R329 PolarHBondContact OE2-NE 3.47Å; E326-R329 IonicContact OE2-NH2 3.44Å; E326-R329 PolarHBondContact OE2-NH2 2.9Å; E326-I330 HydrophobicContact CG-CD1 3.99Å; E326-I330 HydrophobicContact CG-CG1 4.48Å; E326-I330 VanDerWaalsContact O-CG1 3.28Å; E326-I330 WeakPolarHBondContact O-CG1 3.29Å; E326-I330 PolarHBondContact O-N 3.47Å; E326-L381 HydrophobicContact CG-CD1 4.4Å; E326-K385 WeakPolarHBondContact OE1-CE 3.38Å; E326-K385 IonicContact OE1-NZ 2.76Å; E326-K385 PolarHBondContact OE1-NZ 3.4Å
327L94.2Very high82.9Confident0 Ų060.1 Ų60.10%031%0.308CS..Hα-helixtrans-56.9-46.6172.8-71.7177.9000111.7I323 I324 F325 A331 L377 M380 L381 A384 Y391I323-L327 PolarHBondContact O-N 3.2Å; I324-L327 WeakPolarHBondContact O-CB 3.46Å; I324-L327 PolarHBondContact O-N 2.96Å; F325-L327 PolarHBondContact O-N 3.33Å; L327-A331 PolarHBondContact O-N 2.83Å; L327-L377 HydrophobicContact CD1-CD1 3.67Å; L327-M380 HydrophobicContact CD1-CB 3.86Å; L327-M380 HydrophobicContact CD1-CE 4.21Å; L327-M380 HydrophobicContact CD2-CB 4.18Å; L327-L381 HydrophobicContact CD2-CB 4.44Å; L327-L381 HydrophobicContact CD2-CD1 4.29Å; L327-A384 HydrophobicContact CD2-CB 3.58Å; L327-Y391 VanDerWaalsContact C-OH 3.29Å; L327-Y391 WeakPolarHBondContact O-CE1 3.31Å; L327-Y391 PolarHBondContact O-OH 2.92Å
328R93.3Very high81.3Confident2 Ų259.8 Ų59.81%0.00831%0.309CS..Hα-helixtrans-61.2-48.3175.4176.5-161.3161-92-17.6111.2I324 F325 E326 I330 A331 F332 D333 Y348 D351 Y352 L355I324-R328 PolarHBondContact O-N 3.49Å; I324-R328 VanDerWaalsContact O-N 3.13Å; F325-R328 WeakPolarHBondContact O-CB 3.42Å; F325-R328 PolarHBondContact O-N 3.46Å; E326-R328 VanDerWaalsContact C-N 3.32Å; E326-R328 PolarHBondContact O-N 2.85Å; R328-I330 VanDerWaalsContact C-N 3.33Å; R328-I330 PolarHBondContact O-N 3.43Å; R328-A331 PolarHBondContact O-N 3.28Å; R328-A331 VanDerWaalsContact O-N 3.08Å; R328-F332 HydrophobicContact CG-CD2 3.91Å; R328-F332 PolarHBondContact O-N 3Å; R328-D333 IonicContact NH1-OD1 2.73Å; R328-D333 IonicContact NH2-OD1 2.93Å; R328-Y348 VanDerWaalsContact NE-CD1 3.33Å; R328-D351 HydrophobicContact CG-CB 3.92Å; R328-D351 IonicContact CZ-OD2 3.51Å; R328-D351 IonicContact NE-OD2 3.43Å; R328-D351 PolarHBondContact NE-OD2 2.82Å; R328-D351 IonicContact NH2-OD2 2.73Å; R328-D351 PolarHBondContact NH2-OD2 3.32Å; R328-Y352 HydrophobicContact CB-CE1 3.87Å; R328-Y352 HydrophobicContact CG-CE1 4.27Å; R328-L355 HydrophobicContact CB-CD1 3.94Å; R328-L355 HydrophobicContact CG-CD1 4.35Å
329R90.9Very high79.3Confident99 Ų9960 Ų6037%0.37432%0.323SS..Hα-helixtrans-55.4-48.6-178.7-160.5-166.861.472.92.2110.9F325 E326 A331 D333F325-R329 WeakPolarHBondContact O-CB 3.49Å; F325-R329 PolarHBondContact O-N 3.41Å; E326-R329 WeakPolarHBondContact O-CB 3.29Å; E326-R329 PolarHBondContact O-N 2.88Å; E326-R329 IonicContact OE1-CZ 3.9Å; E326-R329 IonicContact OE1-NE 3.15Å; E326-R329 IonicContact OE1-NH2 3.37Å; E326-R329 PolarHBondContact OE1-NH2 3.25Å; E326-R329 IonicContact OE2-CZ 2.64Å; E326-R329 IonicContact OE2-NE 2.81Å; E326-R329 PolarHBondContact OE2-NE 3.47Å; E326-R329 IonicContact OE2-NH2 3.44Å; E326-R329 PolarHBondContact OE2-NH2 2.9Å; R329-A331 VanDerWaalsContact C-N 3.27Å; R329-A331 PolarHBondContact O-N 2.83Å; R329-D333 HydrophobicContact CG-CB 4.1Å; R329-D333 WeakPolarHBondContact CG-OD2 3.47Å; R329-D333 WeakPolarHBondContact O-CB 3.4Å; R329-D333 PolarHBondContact O-N 2.93Å
330I91.8Very high77.7Confident14 Ų1459.8 Ų59.87%0.07232%0.324CS..Hα-helixtrans-61.9-35.1179.1-66.5168.2000111.8E326 R328 A384 K385 Q388 Y391 I392E326-I330 HydrophobicContact CG-CD1 3.99Å; E326-I330 HydrophobicContact CG-CG1 4.48Å; E326-I330 VanDerWaalsContact O-CG1 3.28Å; E326-I330 WeakPolarHBondContact O-CG1 3.29Å; E326-I330 PolarHBondContact O-N 3.47Å; R328-I330 VanDerWaalsContact C-N 3.33Å; R328-I330 PolarHBondContact O-N 3.43Å; I330-A384 HydrophobicContact CD1-CB 3.97Å; I330-A384 HydrophobicContact CG2-CB 4.41Å; I330-K385 HydrophobicContact CD1-CD 4.1Å; I330-K385 HydrophobicContact CD1-CG 4.46Å; I330-Q388 HydrophobicContact CG2-CG 3.78Å; I330-Y391 HydrophobicContact CB-CD1 4.45Å; I330-Y391 HydrophobicContact CB-CE1 4.03Å; I330-Y391 HydrophobicContact CG2-CD1 3.7Å; I330-Y391 HydrophobicContact CG2-CE1 3.78Å; I330-I392 HydrophobicContact CG2-CG1 4.43Å
331A89.8Confident76.5Confident7 Ų763 Ų636%0.05835%0.346CS..Hα-helixtrans-79.9-37.2-176.500000114.2L327 R328 R329 L355 Y391 V395L327-A331 PolarHBondContact O-N 2.83Å; R328-A331 PolarHBondContact O-N 3.28Å; R328-A331 VanDerWaalsContact O-N 3.08Å; R329-A331 VanDerWaalsContact C-N 3.27Å; R329-A331 PolarHBondContact O-N 2.83Å; A331-L355 HydrophobicContact CB-CD2 4.28Å; A331-Y391 HydrophobicContact CB-CE1 3.78Å; A331-V395 HydrophobicContact CB-CB 4.34Å; A331-V395 HydrophobicContact CB-CG1 3.93Å; A331-V395 HydrophobicContact CB-CG2 4.47Å
332F86.8Confident75.2Confident44 Ų4466 Ų6619%0.19337%0.365CS..Hα-helixtrans-124-17.9-166.4-57.6-58.7000115.8R328 G334 D351 M354 L355 V395 L396R328-F332 HydrophobicContact CG-CD2 3.91Å; R328-F332 PolarHBondContact O-N 3Å; F332-G334 PolarHBondContact O-N 3.1Å; F332-G334 VanDerWaalsContact O-N 3.11Å; F332-D351 HydrophobicContact CD2-CB 3.75Å; F332-D351 HydrophobicContact CE2-CB 3.77Å; F332-D351 WeakPolarHBondContact CE2-O 3.33Å; F332-M354 HydrophobicContact CD1-CE 4.49Å; F332-M354 HydrophobicContact CE1-CB 4.34Å; F332-M354 HydrophobicContact CE1-CE 4.19Å; F332-M354 HydrophobicContact CE2-CB 4.46Å; F332-M354 HydrophobicContact CZ-CB 3.73Å; F332-M354 HydrophobicContact CZ-CE 4.23Å; F332-L355 HydrophobicContact CE2-CD1 3.76Å; F332-L355 HydrophobicContact CE2-CD2 4.23Å; F332-L355 HydrophobicContact CE2-CG 3.56Å; F332-L355 HydrophobicContact CZ-CD2 4.43Å; F332-L355 HydrophobicContact CZ-CG 3.94Å; F332-V395 HydrophobicContact CE1-CG1 3.8Å; F332-V395 HydrophobicContact CZ-CG1 3.64Å; F332-L396 HydrophobicContact CD1-CD2 4.02Å; F332-L396 HydrophobicContact CE1-CD2 4.07Å
333D75.7Confident74Confident65 Ų6569.7 Ų69.735%0.34838%0.377SS..  trans-80.5103.4-177.6-74.4-0.1000110.9R328 R329R328-D333 IonicContact NH1-OD1 2.73Å; R328-D333 IonicContact NH2-OD1 2.93Å; R329-D333 HydrophobicContact CG-CB 4.1Å; R329-D333 WeakPolarHBondContact CG-OD2 3.47Å; R329-D333 WeakPolarHBondContact O-CB 3.4Å; R329-D333 PolarHBondContact O-N 2.93Å
334G56.9Low73Confident62 Ų6273.2 Ų73.264%0.63939%0.39SS*.  trans-96.4162.6144.400000110F332 N336F332-G334 PolarHBondContact O-N 3.1Å; F332-G334 VanDerWaalsContact O-N 3.11Å; G334-N336 PolarHBondContact O-N 3.46Å
335E42.9Very low72.1Confident202 Ų20280.4 Ų80.494%0.94442%0.421SS*.SBendtrans-50.811.9-162.2-64.4-165.5147.700120.8
336N52.9Low71.5Confident155 Ų15580.6 Ų80.683%0.82943%0.434SS*.  trans-123.876.3-175.9-75.1-39.4000113.4G334G334-N336 PolarHBondContact O-N 3.46Å
337D56.1Low71.1Confident82 Ų8281.2 Ų81.244%0.43944%0.437SS..  trans-84.9121.3173.1-15311.9000110.4M347D337-M347 WeakPolarHBondContact OD1-CE 3.2Å
338P58.3Low70.7Confident49 Ų4983.4 Ų83.432%0.31845%0.446SS..  trans-69.7144.6-171.622.6-31.4000114.7G340 R344 M347P338-G340 PolarHBondContact O-N 3.31Å; P338-R344 PolarHBondContact O-NE 3.46Å; P338-M347 HydrophobicContact CG-CE 4.17Å; P338-M347 HydrophobicContact CG-SD 3.72Å
339S47.7Very low70.4Confident116 Ų11685.7 Ų85.781%0.81146%0.46SS*.SBendtrans-78.6104.3177.553.90000112.1
340G54.2Low70.3Confident27 Ų2787.3 Ų87.328%0.27847%0.47SS..  trans150132.8170.400000113.6P338 R344P338-G340 PolarHBondContact O-N 3.31Å; G340-R344 WeakPolarHBondContact O-CB 3.13Å; G340-R344 WeakPolarHBondContact O-CG 3.19Å; G340-R344 PolarHBondContact O-N 2.86Å
341T63.2Low70.3Confident105 Ų10587.2 Ų87.264%0.64447%0.469SS*.Hα-helixtrans-65.9-39.1-173.539.50000114.3K345T341-K345 PolarHBondContact O-N 3Å; T341-K345 VanDerWaalsContact O-N 3.13Å
342E63.4Low70.5Confident167 Ų16788.2 Ų88.278%0.7847%0.472SS*.Hα-helixtrans-73-41.2178.2-70.7-176.5161.600112.4R344 K345 A346E342-R344 VanDerWaalsContact C-N 3.28Å; E342-R344 PolarHBondContact O-N 3.26Å; E342-K345 PolarHBondContact O-N 3.24Å; E342-A346 PolarHBondContact O-N 2.84Å; E342-A346 VanDerWaalsContact O-N 3.13Å
343K65.3Low70.7Confident154 Ų15492.5 Ų92.567%0.6749%0.49SS*.Hα-helixtrans-62-37.9174.5-68.6-175.6179.3179.20111.2M347K343-M347 WeakPolarHBondContact O-CB 3.29Å; K343-M347 PolarHBondContact O-N 3.39Å
344R72.9Confident71.4Confident90 Ų9092.1 Ų92.134%0.3449%0.487SS..Hα-helixtrans-63.6-46.1173.1-80.9-175.1-123.6157.8-1113P338 G340 E342 A346 M347 Y348P338-R344 PolarHBondContact O-NE 3.46Å; G340-R344 WeakPolarHBondContact O-CB 3.13Å; G340-R344 WeakPolarHBondContact O-CG 3.19Å; G340-R344 PolarHBondContact O-N 2.86Å; E342-R344 VanDerWaalsContact C-N 3.28Å; E342-R344 PolarHBondContact O-N 3.26Å; R344-A346 PolarHBondContact O-N 2.88Å; R344-M347 WeakPolarHBondContact O-CB 3.43Å; R344-M347 PolarHBondContact O-N 3.26Å; R344-Y348 HydrophobicContact CB-CE1 4.31Å; R344-Y348 HydrophobicContact CB-CE2 4.14Å; R344-Y348 WeakPolarHBondContact CD-OH 3.33Å; R344-Y348 WeakPolarHBondContact O-CD1 3.43Å; R344-Y348 WeakPolarHBondContact O-CD2 3.43Å; R344-Y348 PolarHBondContact O-N 2.62Å
345K73.6Confident73.1Confident154 Ų15489.2 Ų89.267%0.6746%0.457SS*.Hα-helixtrans-61.5-42.4178.4-76.1-177179.6-178.50113T341 E342 Y348 T349T341-K345 PolarHBondContact O-N 3Å; T341-K345 VanDerWaalsContact O-N 3.13Å; E342-K345 PolarHBondContact O-N 3.24Å; K345-Y348 PolarHBondContact O-N 3.45Å; K345-T349 PolarHBondContact O-N 2.71Å; K345-T349 VanDerWaalsContact O-N 3.07Å; K345-T349 PolarHBondContact O-OG1 2.82Å
346A78.7Confident75.5Confident65 Ų6580.1 Ų80.154%0.53742%0.417SS..Hα-helixtrans-64.8-40.8176.100000111.7E342 R344 T349 K350E342-A346 PolarHBondContact O-N 2.84Å; E342-A346 VanDerWaalsContact O-N 3.13Å; R344-A346 PolarHBondContact O-N 2.88Å; A346-T349 PolarHBondContact O-N 3.05Å; A346-K350 PolarHBondContact O-N 3.36Å; A346-K350 VanDerWaalsContact O-N 3.12Å
347M83.6Confident77.5Confident46 Ų4673.2 Ų73.223%0.22738%0.38CS..Hα-helixtrans-61.2-48.6174-171.817677.100111.5D337 P338 K343 R344 T349 K350 D351D337-M347 WeakPolarHBondContact OD1-CE 3.2Å; P338-M347 HydrophobicContact CG-CE 4.17Å; P338-M347 HydrophobicContact CG-SD 3.72Å; K343-M347 WeakPolarHBondContact O-CB 3.29Å; K343-M347 PolarHBondContact O-N 3.39Å; R344-M347 WeakPolarHBondContact O-CB 3.43Å; R344-M347 PolarHBondContact O-N 3.26Å; M347-T349 VanDerWaalsContact C-N 3.32Å; M347-T349 PolarHBondContact O-N 2.86Å; M347-K350 WeakPolarHBondContact O-CA 3.48Å; M347-K350 WeakPolarHBondContact O-CB 3.27Å; M347-K350 PolarHBondContact O-N 2.8Å; M347-K350 VanDerWaalsContact O-N 3.07Å; M347-D351 PolarHBondContact O-N 3.49Å
348Y85.9Confident79.3Confident46 Ų4673.8 Ų73.818%0.1839%0.387CS..Hα-helixtrans-61.1-41.2-179.8-59.9-13.1000112.1F325 R328 R344 K345 K350 D351 Y352F325-Y348 HydrophobicContact CE2-CE1 4.21Å; F325-Y348 HydrophobicContact CE2-CE2 4.12Å; F325-Y348 AromaticContact CE2-CZ 3.83Å; R328-Y348 VanDerWaalsContact NE-CD1 3.33Å; R344-Y348 HydrophobicContact CB-CE1 4.31Å; R344-Y348 HydrophobicContact CB-CE2 4.14Å; R344-Y348 WeakPolarHBondContact CD-OH 3.33Å; R344-Y348 WeakPolarHBondContact O-CD1 3.43Å; R344-Y348 WeakPolarHBondContact O-CD2 3.43Å; R344-Y348 PolarHBondContact O-N 2.62Å; K345-Y348 PolarHBondContact O-N 3.45Å; Y348-K350 VanDerWaalsContact C-N 3.31Å; Y348-K350 PolarHBondContact O-N 3.04Å; Y348-D351 PolarHBondContact O-N 3.31Å; Y348-Y352 WeakPolarHBondContact O-CD2 3.37Å; Y348-Y352 VanDerWaalsContact O-CG 3.29Å; Y348-Y352 PolarHBondContact O-N 2.97Å
349T87.8Confident81Confident50 Ų5074 Ų7431%0.30739%0.385SS..Hα-helixtrans-61.5-41.3175.7-53.80000111.4K345 A346 M347 K353 V361K345-T349 PolarHBondContact O-N 2.71Å; K345-T349 VanDerWaalsContact O-N 3.07Å; K345-T349 PolarHBondContact O-OG1 2.82Å; A346-T349 PolarHBondContact O-N 3.05Å; M347-T349 VanDerWaalsContact C-N 3.32Å; M347-T349 PolarHBondContact O-N 2.86Å; T349-K353 PolarHBondContact O-N 3.37Å; T349-K353 VanDerWaalsContact O-N 3.08Å; T349-V361 HydrophobicContact CG2-CG2 4.29Å
350K88.5Confident83Confident134 Ų13472.1 Ų72.158%0.58336%0.363SS*.Hα-helixtrans-64.3-43.3174.9-172.6-171.8174.6-1720111.1A346 M347 Y348 K353 M354A346-K350 PolarHBondContact O-N 3.36Å; A346-K350 VanDerWaalsContact O-N 3.12Å; M347-K350 WeakPolarHBondContact O-CA 3.48Å; M347-K350 WeakPolarHBondContact O-CB 3.27Å; M347-K350 PolarHBondContact O-N 2.8Å; M347-K350 VanDerWaalsContact O-N 3.07Å; Y348-K350 VanDerWaalsContact C-N 3.31Å; Y348-K350 PolarHBondContact O-N 3.04Å; K350-K353 WeakPolarHBondContact O-CB 3.27Å; K350-K353 PolarHBondContact O-N 3.06Å; K350-M354 HydrophobicContact CG-CE 4.36Å; K350-M354 WeakPolarHBondContact O-CG 3.49Å; K350-M354 PolarHBondContact O-N 3.24Å
351D91.5Very high84.7Confident12 Ų1275.7 Ų75.76%0.06438%0.38CS..Hα-helixtrans-66.7-39.8-179.3-62.3-15.3000111.9R328 F332 M347 Y348 K353 M354 L355R328-D351 HydrophobicContact CG-CB 3.92Å; R328-D351 IonicContact CZ-OD2 3.51Å; R328-D351 IonicContact NE-OD2 3.43Å; R328-D351 PolarHBondContact NE-OD2 2.82Å; R328-D351 IonicContact NH2-OD2 2.73Å; R328-D351 PolarHBondContact NH2-OD2 3.32Å; F332-D351 HydrophobicContact CD2-CB 3.75Å; F332-D351 HydrophobicContact CE2-CB 3.77Å; F332-D351 WeakPolarHBondContact CE2-O 3.33Å; M347-D351 PolarHBondContact O-N 3.49Å; Y348-D351 PolarHBondContact O-N 3.31Å; D351-K353 VanDerWaalsContact C-N 3.31Å; D351-K353 PolarHBondContact O-N 3.35Å; D351-M354 HydrophobicContact CB-CE 4.32Å; D351-M354 CarbonylContact O-C 3.08Å; D351-M354 WeakPolarHBondContact O-CB 3.35Å; D351-M354 PolarHBondContact O-N 2.95Å; D351-M354 VanDerWaalsContact O-N 3.15Å; D351-M354 WeakPolarHBondContact OD1-CE 3.46Å; D351-L355 PolarHBondContact O-N 3.31Å
352Y93.8Very high86.1Confident27 Ų2772.5 Ų72.511%0.10636%0.359CS..Hα-helixtrans-66.9-33.1173.7-63.5-44.7000112.5I324 R328 Y348 L355 G356 F357 P363I324-Y352 HydrophobicContact CG2-CD1 4.33Å; I324-Y352 HydrophobicContact CG2-CE1 3.75Å; R328-Y352 HydrophobicContact CB-CE1 3.87Å; R328-Y352 HydrophobicContact CG-CE1 4.27Å; Y348-Y352 WeakPolarHBondContact O-CD2 3.37Å; Y348-Y352 VanDerWaalsContact O-CG 3.29Å; Y348-Y352 PolarHBondContact O-N 2.97Å; Y352-L355 HydrophobicContact CD1-CD1 4.07Å; Y352-L355 PolarHBondContact O-N 2.84Å; Y352-G356 PolarHBondContact O-N 3.47Å; Y352-F357 HydrophobicContact CD1-CD2 4.17Å; Y352-F357 HydrophobicContact CD1-CE2 4.18Å; Y352-F357 PolarHBondContact O-N 3.46Å; Y352-P363 HydrophobicContact CD1-CG 3.91Å; Y352-P363 HydrophobicContact CD2-CG 3.9Å; Y352-P363 HydrophobicContact CE1-CG 4.11Å; Y352-P363 HydrophobicContact CE2-CG 4.09Å; Y352-P363 HydrophobicContact CG-CG 3.83Å
353K91.4Very high87.6Confident135 Ų13564.9 Ų64.959%0.58732%0.324SS*.Hα-helixtrans-64.1-44.5168.6-175.2-179.5177.4-175.30111.2T349 K350 D351 L355 G356 H360T349-K353 PolarHBondContact O-N 3.37Å; T349-K353 VanDerWaalsContact O-N 3.08Å; K350-K353 WeakPolarHBondContact O-CB 3.27Å; K350-K353 PolarHBondContact O-N 3.06Å; D351-K353 VanDerWaalsContact C-N 3.31Å; D351-K353 PolarHBondContact O-N 3.35Å; K353-L355 VanDerWaalsContact C-N 3.31Å; K353-L355 PolarHBondContact O-N 2.92Å; K353-G356 WeakPolarHBondContact O-CA 3.45Å; K353-G356 PolarHBondContact O-N 3.27Å; K353-H360 HydrophobicContact CB-CB 3.84Å
354M90.4Very high89Confident56 Ų5657.6 Ų57.628%0.27629%0.292SS..Hα-helixtrans-65.9-30.4177.3-75.2-170.4-53.700113.2F332 K350 D351 G356F332-M354 HydrophobicContact CD1-CE 4.49Å; F332-M354 HydrophobicContact CE1-CB 4.34Å; F332-M354 HydrophobicContact CE1-CE 4.19Å; F332-M354 HydrophobicContact CE2-CB 4.46Å; F332-M354 HydrophobicContact CZ-CB 3.73Å; F332-M354 HydrophobicContact CZ-CE 4.23Å; K350-M354 HydrophobicContact CG-CE 4.36Å; K350-M354 WeakPolarHBondContact O-CG 3.49Å; K350-M354 PolarHBondContact O-N 3.24Å; D351-M354 HydrophobicContact CB-CE 4.32Å; D351-M354 CarbonylContact O-C 3.08Å; D351-M354 WeakPolarHBondContact O-CB 3.35Å; D351-M354 PolarHBondContact O-N 2.95Å; D351-M354 VanDerWaalsContact O-N 3.15Å; D351-M354 WeakPolarHBondContact OD1-CE 3.46Å; M354-G356 PolarHBondContact O-N 2.86Å
355L93.2Very high90.2Very high1 Ų157 Ų571%0.00529%0.294CS..THydrogen-bonded Turntrans-70.3-9.8168.8-80.6157.9000112.9R328 A331 F332 D351 Y352 K353 F357 Y391 V395 F409 G410R328-L355 HydrophobicContact CB-CD1 3.94Å; R328-L355 HydrophobicContact CG-CD1 4.35Å; A331-L355 HydrophobicContact CB-CD2 4.28Å; F332-L355 HydrophobicContact CE2-CD1 3.76Å; F332-L355 HydrophobicContact CE2-CD2 4.23Å; F332-L355 HydrophobicContact CE2-CG 3.56Å; F332-L355 HydrophobicContact CZ-CD2 4.43Å; F332-L355 HydrophobicContact CZ-CG 3.94Å; D351-L355 PolarHBondContact O-N 3.31Å; Y352-L355 HydrophobicContact CD1-CD1 4.07Å; Y352-L355 PolarHBondContact O-N 2.84Å; K353-L355 VanDerWaalsContact C-N 3.31Å; K353-L355 PolarHBondContact O-N 2.92Å; L355-F357 HydrophobicContact CB-CD2 3.81Å; L355-F357 HydrophobicContact CB-CE2 3.81Å; L355-F357 HydrophobicContact CD1-CE2 4.04Å; L355-F357 HydrophobicContact CG-CE2 4.47Å; L355-Y391 WeakPolarHBondContact CD2-OH 3.49Å; L355-V395 HydrophobicContact CD2-CG1 3.77Å; L355-V395 HydrophobicContact CD2-CG2 3.85Å; L355-V395 HydrophobicContact CG-CG1 4.47Å; L355-F409 HydrophobicContact CD2-CD1 4.31Å; L355-F409 WeakPolarHBondContact O-CB 3.35Å; L355-F409 PolarHBondContact O-N 3.1Å; L355-G410 PolarHBondContact O-N 3.5Å
356G93.4Very high91.2Very high11 Ų1150.5 Ų50.511%0.11327%0.266CS..THydrogen-bonded Turntrans75.830.317800000114.2Y352 K353 M354 R411Y352-G356 PolarHBondContact O-N 3.47Å; K353-G356 WeakPolarHBondContact O-CA 3.45Å; K353-G356 PolarHBondContact O-N 3.27Å; M354-G356 PolarHBondContact O-N 2.86Å; G356-R411 PolarHBondContact O-N 3.27Å
357F95.7Very high92.1Very high10 Ų1047.4 Ų47.44%0.04424%0.241CC..  trans-73.1147.9167-70.4-68.8000111.1I324 Y352 L355 P363 F367 M380I324-F357 HydrophobicContact CG2-CE2 4.26Å; I324-F357 HydrophobicContact CG2-CZ 4.27Å; Y352-F357 HydrophobicContact CD1-CD2 4.17Å; Y352-F357 HydrophobicContact CD1-CE2 4.18Å; Y352-F357 PolarHBondContact O-N 3.46Å; L355-F357 HydrophobicContact CB-CD2 3.81Å; L355-F357 HydrophobicContact CB-CE2 3.81Å; L355-F357 HydrophobicContact CD1-CE2 4.04Å; L355-F357 HydrophobicContact CG-CE2 4.47Å; F357-P363 HydrophobicContact CB-CB 4.02Å; F357-P363 HydrophobicContact CD1-CB 3.89Å; F357-P363 HydrophobicContact CD2-CB 3.71Å; F357-P363 HydrophobicContact CE1-CB 4.27Å; F357-P363 HydrophobicContact CE2-CB 4.08Å; F357-P363 HydrophobicContact CG-CB 3.6Å; F357-P363 HydrophobicContact CZ-CB 4.35Å; F357-F367 AromaticContact CE1-CE2 3.77Å; F357-F367 HydrophobicContact CE1-CE2 3.77Å; F357-F367 AromaticContact CE1-CZ 3.75Å; F357-F367 HydrophobicContact CE1-CZ 3.75Å; F357-F367 HydrophobicContact CZ-CE2 4.38Å; F357-F367 HydrophobicContact CZ-CZ 4.37Å; F357-M380 HydrophobicContact CE1-CE 3.97Å; F357-M380 HydrophobicContact CZ-CE 3.8Å
358T93.4Very high92.6Very high94 Ų9447 Ų4758%0.57724%0.241SC*.SBendtrans-73.3-48.1177.6-50.10000109.7H360 D366T358-H360 PolarHBondContact O-N 3.15Å; T358-D366 WeakPolarHBondContact CB-OD2 3.46Å; T358-D366 PolarHBondContact N-OD2 3.28Å; T358-D366 PolarHBondContact OG1-OD2 3.45Å
359N92.6Very high92.9Very high54 Ų5450.6 Ų50.629%0.28926%0.26SS..  trans-93.885.8171.7-166.1-24.9000111.4V361 N362 P363 M365 D366N359-V361 PolarHBondContact O-N 2.67Å; N359-V361 PolarHBondContact OD1-N 2.92Å; N359-N362 WeakPolarHBondContact CB-O 3.45Å; N359-N362 CarbonylContact O-C 3.57Å; N359-N362 PolarHBondContact O-N 3.42Å; N359-N362 PolarHBondContact OD1-N 3.42Å; N359-P363 VanDerWaalsContact O-CA 3.22Å; N359-P363 WeakPolarHBondContact O-CA 3.42Å; N359-M365 HydrophobicContact CB-CB 4.28Å; N359-D366 WeakPolarHBondContact CB-OD1 3.38Å; N359-D366 PolarHBondContact N-OD1 3.37Å; N359-D366 VanDerWaalsContact N-OD1 3.12Å
360H90Very high92.9Very high77 Ų7750.1 Ų50.136%0.35626%0.257SS..SBendtrans-65.9-17.8178.234.446.6000114.8K353 T358K353-H360 HydrophobicContact CB-CB 3.84Å; T358-H360 PolarHBondContact O-N 3.15Å
361V91.3Very high92.8Very high102 Ų10246 Ų4662%0.61824%0.243SC*.SBendtrans-82.2-40.81761800000110.7T349 N359T349-V361 HydrophobicContact CG2-CG2 4.29Å; N359-V361 PolarHBondContact O-N 2.67Å; N359-V361 PolarHBondContact OD1-N 2.92Å
362N92.3Very high92.9Very high38 Ų3845.5 Ų45.520%0.20324%0.241CC..  trans-140.586176.7-170.810000110.7N359 A364 M365N359-N362 WeakPolarHBondContact CB-O 3.45Å; N359-N362 CarbonylContact O-C 3.57Å; N359-N362 PolarHBondContact O-N 3.42Å; N359-N362 PolarHBondContact OD1-N 3.42Å; N362-A364 PolarHBondContact O-N 3.28Å; N362-A364 VanDerWaalsContact O-N 3.1Å; N362-A364 WeakPolarHBondContact OD1-CB 3.42Å; N362-M365 HydrophobicContact CB-CG 4.22Å; N362-M365 WeakPolarHBondContact O-CB 3.42Å; N362-M365 WeakPolarHBondContact O-CG 3.31Å; N362-M365 PolarHBondContact O-N 2.85Å; N362-M365 VanDerWaalsContact O-N 3.1Å
363P94.5Very high92.9Very high7 Ų744.2 Ų44.25%0.04524%0.236CC..G310 helixtrans-63.3-18-176.925.3-36.7000113.4I324 Y352 F357 N359 M365 D366 F367I324-P363 HydrophobicContact CD1-CB 4.42Å; I324-P363 HydrophobicContact CD1-CG 4.33Å; I324-P363 HydrophobicContact CG2-CB 4.22Å; I324-P363 HydrophobicContact CG2-CG 3.73Å; Y352-P363 HydrophobicContact CD1-CG 3.91Å; Y352-P363 HydrophobicContact CD2-CG 3.9Å; Y352-P363 HydrophobicContact CE1-CG 4.11Å; Y352-P363 HydrophobicContact CE2-CG 4.09Å; Y352-P363 HydrophobicContact CG-CG 3.83Å; F357-P363 HydrophobicContact CB-CB 4.02Å; F357-P363 HydrophobicContact CD1-CB 3.89Å; F357-P363 HydrophobicContact CD2-CB 3.71Å; F357-P363 HydrophobicContact CE1-CB 4.27Å; F357-P363 HydrophobicContact CE2-CB 4.08Å; F357-P363 HydrophobicContact CG-CB 3.6Å; F357-P363 HydrophobicContact CZ-CB 4.35Å; N359-P363 VanDerWaalsContact O-CA 3.22Å; N359-P363 WeakPolarHBondContact O-CA 3.42Å; P363-M365 PolarHBondContact O-N 3.49Å; P363-D366 WeakPolarHBondContact O-CB 3.42Å; P363-D366 PolarHBondContact O-N 2.87Å; P363-D366 VanDerWaalsContact O-N 3.09Å; P363-F367 WeakPolarHBondContact O-CD2 3.17Å
364A95.4Very high93.1Very high0 Ų038 Ų380%021%0.209CC..G310 helixtrans-58.1-29.1174.100000112.8M313 P315 I324 N362 D366 F367M313-A364 HydrophobicContact CE-CB 3.69Å; M313-A364 HydrophobicContact CG-CB 4.45Å; M313-A364 WeakPolarHBondContact SD-CA 3.23Å; M313-A364 HydrophobicContact SD-CB 3.47Å; M313-A364 WeakPolarHBondContact SD-CB 3.25Å; P315-A364 HydrophobicContact CB-CB 3.98Å; P315-A364 HydrophobicContact CG-CB 4.49Å; I324-A364 HydrophobicContact CD1-CB 4.13Å; N362-A364 PolarHBondContact O-N 3.28Å; N362-A364 VanDerWaalsContact O-N 3.1Å; N362-A364 WeakPolarHBondContact OD1-CB 3.42Å; A364-D366 PolarHBondContact O-N 3.15Å; A364-F367 PolarHBondContact O-N 3.06Å
365M96.8Very high93.4Very high77 Ų7735.5 Ų35.538%0.37920%0.197SC..G310 helixtrans-61.5-30.8177.7-65.8-58-5800112.7P315 N359 N362 P363 F367 T368P315-M365 HydrophobicContact CB-SD 4.04Å; P315-M365 HydrophobicContact CG-SD 3.61Å; N359-M365 HydrophobicContact CB-CB 4.28Å; N362-M365 HydrophobicContact CB-CG 4.22Å; N362-M365 WeakPolarHBondContact O-CB 3.42Å; N362-M365 WeakPolarHBondContact O-CG 3.31Å; N362-M365 PolarHBondContact O-N 2.85Å; N362-M365 VanDerWaalsContact O-N 3.1Å; P363-M365 PolarHBondContact O-N 3.49Å; M365-F367 PolarHBondContact O-N 3.27Å; M365-T368 HydrophobicContact CE-CG2 4.5Å; M365-T368 WeakPolarHBondContact O-CB 3.34Å; M365-T368 PolarHBondContact O-N 2.9Å; M365-T368 PolarHBondContact O-OG1 2.93Å; M365-T368 HydrophobicContact SD-CG2 4.47Å
366D95.8Very high93.6Very high18 Ų1835.5 Ų35.510%0.09620%0.197CC..G310 helixtrans-67.5-25.2-179-67.912.6000111.5T358 N359 P363 A364 I414T358-D366 WeakPolarHBondContact CB-OD2 3.46Å; T358-D366 PolarHBondContact N-OD2 3.28Å; T358-D366 PolarHBondContact OG1-OD2 3.45Å; N359-D366 WeakPolarHBondContact CB-OD1 3.38Å; N359-D366 PolarHBondContact N-OD1 3.37Å; N359-D366 VanDerWaalsContact N-OD1 3.12Å; P363-D366 WeakPolarHBondContact O-CB 3.42Å; P363-D366 PolarHBondContact O-N 2.87Å; P363-D366 VanDerWaalsContact O-N 3.09Å; A364-D366 PolarHBondContact O-N 3.15Å; D366-I414 HydrophobicContact CB-CD1 3.66Å
367F97.4Very high93.8Very high1 Ų135 Ų350%0.00419%0.191CC..G310 helixtrans-93.24.3178.5-56.9-79.4000113.8M313 I324 F357 P363 A364 M365 Q369 A376 L377 M380 I414M313-F367 HydrophobicContact CB-CB 3.6Å; M313-F367 HydrophobicContact CG-CB 4.36Å; M313-F367 PolarHBondContact N-O 3.39Å; M313-F367 VanDerWaalsContact N-O 3.09Å; M313-F367 HydrophobicContact SD-CB 3.92Å; M313-F367 HydrophobicContact SD-CD2 3.84Å; M313-F367 HydrophobicContact SD-CG 4.22Å; I324-F367 HydrophobicContact CD1-CD2 3.91Å; I324-F367 HydrophobicContact CD1-CE2 3.71Å; I324-F367 HydrophobicContact CG1-CE2 4.19Å; F357-F367 AromaticContact CE1-CE2 3.77Å; F357-F367 HydrophobicContact CE1-CE2 3.77Å; F357-F367 AromaticContact CE1-CZ 3.75Å; F357-F367 HydrophobicContact CE1-CZ 3.75Å; F357-F367 HydrophobicContact CZ-CE2 4.38Å; F357-F367 HydrophobicContact CZ-CZ 4.37Å; P363-F367 WeakPolarHBondContact O-CD2 3.17Å; A364-F367 PolarHBondContact O-N 3.06Å; M365-F367 PolarHBondContact O-N 3.27Å; F367-Q369 VanDerWaalsContact C-N 3.28Å; F367-A376 HydrophobicContact CD1-CB 4.3Å; F367-A376 HydrophobicContact CE1-CB 4.08Å; F367-L377 HydrophobicContact CD1-CB 3.98Å; F367-L377 HydrophobicContact CE1-CB 3.78Å; F367-L377 HydrophobicContact CE1-CD1 4.26Å; F367-L377 HydrophobicContact CE2-CD1 4.15Å; F367-L377 HydrophobicContact CZ-CB 4.23Å; F367-L377 HydrophobicContact CZ-CD1 3.83Å; F367-M380 HydrophobicContact CE1-SD 4.03Å; F367-M380 HydrophobicContact CZ-SD 3.85Å; F367-I414 HydrophobicContact CD1-CD1 4.19Å; F367-I414 HydrophobicContact CD1-CG1 4.31Å; F367-I414 HydrophobicContact CE1-CD1 3.9Å; F367-I414 HydrophobicContact CE1-CG1 3.87Å; F367-I414 HydrophobicContact CZ-CD1 4.19Å; F367-I414 HydrophobicContact CZ-CG1 4.48Å
368T94.1Very high93.8Very high38 Ų3835.4 Ų35.423%0.23319%0.194CC..G310 helixtrans-79.6-13.7172.465.70000112.6K312 P315 M365K312-T368 VanDerWaalsContact CD-O 3.22Å; K312-T368 WeakPolarHBondContact CD-O 3.38Å; K312-T368 WeakPolarHBondContact CE-O 3.33Å; K312-T368 VanDerWaalsContact CG-O 3.29Å; K312-T368 WeakPolarHBondContact CG-O 3.42Å; P315-T368 HydrophobicContact CG-CG2 3.76Å; M365-T368 HydrophobicContact CE-CG2 4.5Å; M365-T368 WeakPolarHBondContact O-CB 3.34Å; M365-T368 PolarHBondContact O-N 2.9Å; M365-T368 PolarHBondContact O-OG1 2.93Å; M365-T368 HydrophobicContact SD-CG2 4.47Å
369Q91.3Very high94.1Very high121 Ų12131 Ų3157%0.56517%0.167SC*.SBendtrans-85.7126.9176.5-62.8-174.211.200110.5F367 P371 G373F367-Q369 VanDerWaalsContact C-N 3.28Å; Q369-P371 CarbonylContact O-C 3.55Å; Q369-G373 WeakPolarHBondContact O-CA 3.49Å; Q369-G373 PolarHBondContact O-N 3.11Å
370T87.5Confident94.3Very high40 Ų4028.4 Ų28.425%0.24515%0.153CC..THydrogen-bonded Turntrans-123.2132.2176.949.70000109.9M309 M310 K312M309-T370 WeakPolarHBondContact O-CG2 3.4Å; M310-T370 WeakPolarHBondContact O-CG2 3.49Å; K312-T370 HydrophobicContact CB-CG2 4.49Å; K312-T370 WeakPolarHBondContact CE-OG1 3.33Å; K312-T370 HydrophobicContact CG-CG2 3.58Å
371P86.8Confident94.6Very high47 Ų4726.4 Ų26.431%0.30515%0.145SC..THydrogen-bonded Turncis-67.8156.7-9.729.8-35.7000112.9M309 Q369 R418M309-P371 HydrophobicContact CG-CB 3.8Å; M309-P371 HydrophobicContact SD-CB 4.18Å; Q369-P371 CarbonylContact O-C 3.55Å; P371-R418 HydrophobicContact CB-CG 4.24Å; P371-R418 HydrophobicContact CG-CG 3.97Å; P371-R418 PolarHBondContact O-NE 3.34Å; P371-R418 PolarHBondContact O-NH2 3.3Å
372P94.4Very high94.9Very high1 Ų122.7 Ų22.71%0.00612%0.12CC..THydrogen-bonded Turncis-102.51.93.841-38000114.9M309 M374 L375 A376 I414 T417M309-P372 CarbonylContact C-O 3.58Å; M309-P372 WeakPolarHBondContact CA-O 3.34Å; M309-P372 CarbonylContact O-C 3.53Å; M309-P372 VanDerWaalsContact O-O 3.09Å; P372-M374 PolarHBondContact O-N 2.98Å; P372-L375 WeakPolarHBondContact O-CB 3.43Å; P372-L375 PolarHBondContact O-N 3.36Å; P372-A376 HydrophobicContact CB-CB 4.28Å; P372-A376 HydrophobicContact CG-CB 3.61Å; P372-I414 HydrophobicContact CG-CG2 3.83Å; P372-I414 WeakPolarHBondContact CG-O 3.42Å; P372-T417 HydrophobicContact CB-CG2 3.52Å; P372-T417 HydrophobicContact CG-CG2 4.18Å
373G94.3Very high95.2Very high1 Ų120.9 Ų20.91%0.0111%0.111CC..THydrogen-bonded Turntrans52.6-134.7178.200000113.8M309 T311 Q369 L375M309-G373 PolarHBondContact O-N 3.48Å; T311-G373 CarbonylContact O-C 3.58Å; T311-G373 WeakPolarHBondContact O-CA 3.39Å; Q369-G373 WeakPolarHBondContact O-CA 3.49Å; Q369-G373 PolarHBondContact O-N 3.11Å; G373-L375 VanDerWaalsContact C-N 3.28Å; G373-L375 PolarHBondContact O-N 3.31Å
374M95.2Very high95.3Very high5 Ų520.6 Ų20.63%0.02511%0.108CC..Hα-helixtrans-69.3-19.9-178.6-68.4-66.9-74.300114.3R308 T311 M313 Q320 P372 A376 L377 D378R308-M374 VanDerWaalsContact NH2-CB 3.33Å; R308-M374 PolarHBondContact O-N 2.96Å; T311-M374 HydrophobicContact CG2-CB 4.39Å; T311-M374 HydrophobicContact CG2-CG 3.79Å; T311-M374 WeakPolarHBondContact O-CG 3.04Å; T311-M374 PolarHBondContact O-N 3.24Å; M313-M374 VanDerWaalsContact CA-SD 3.54Å; M313-M374 HydrophobicContact CB-CG 4.46Å; M313-M374 HydrophobicContact CB-SD 3.43Å; M313-M374 WeakPolarHBondContact CB-SD 3.35Å; M313-M374 HydrophobicContact CG-SD 3.59Å; M313-M374 VanDerWaalsContact CG-SD 3.59Å; M313-M374 HydrophobicContact SD-SD 4.44Å; Q320-M374 HydrophobicContact CB-CE 4.44Å; Q320-M374 HydrophobicContact CG-CE 4.07Å; P372-M374 PolarHBondContact O-N 2.98Å; M374-A376 VanDerWaalsContact C-N 3.25Å; M374-A376 PolarHBondContact O-N 3.43Å; M374-L377 HydrophobicContact CE-CD2 3.87Å; M374-L377 WeakPolarHBondContact O-CB 3.39Å; M374-L377 PolarHBondContact O-N 3.18Å; M374-L377 HydrophobicContact SD-CD2 4.19Å; M374-D378 PolarHBondContact O-N 2.94Å
375L96.5Very high95.2Very high3 Ų325.3 Ų25.32%0.01613%0.129CC..Hα-helixtrans-61.1-34.7177.7-17961.3000112.3L305 R308 M309 P372 G373 L377 D378 N379 T417 W448L305-L375 HydrophobicContact CB-CD1 4.48Å; L305-L375 HydrophobicContact CB-CD2 4.18Å; L305-L375 HydrophobicContact CD2-CD1 4.27Å; R308-L375 HydrophobicContact CB-CB 4.15Å; R308-L375 HydrophobicContact CB-CD1 4.35Å; R308-L375 PolarHBondContact O-N 2.88Å; R308-L375 VanDerWaalsContact O-N 3.16Å; M309-L375 HydrophobicContact CB-CB 4.46Å; M309-L375 HydrophobicContact CB-CD2 3.94Å; M309-L375 HydrophobicContact CG-CD2 4.44Å; P372-L375 WeakPolarHBondContact O-CB 3.43Å; P372-L375 PolarHBondContact O-N 3.36Å; G373-L375 VanDerWaalsContact C-N 3.28Å; G373-L375 PolarHBondContact O-N 3.31Å; L375-L377 VanDerWaalsContact C-N 3.32Å; L375-L377 PolarHBondContact O-N 2.99Å; L375-D378 PolarHBondContact O-N 2.64Å; L375-N379 VanDerWaalsContact O-CG 3.27Å; L375-N379 PolarHBondContact O-N 2.85Å; L375-N379 PolarHBondContact O-ND2 3.49Å; L375-T417 HydrophobicContact CB-CG2 4.38Å; L375-T417 HydrophobicContact CD2-CG2 4.09Å; L375-T417 HydrophobicContact CG-CG2 3.93Å; L375-W448 HydrophobicContact CD2-CZ2 3.85Å; L375-W448 HydrophobicContact CG-CZ2 4.47Å
376A98.1Very high95.1Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-65.6-37.5174.900000112F367 P372 M374 N379 M380 I414 T417F367-A376 HydrophobicContact CD1-CB 4.3Å; F367-A376 HydrophobicContact CE1-CB 4.08Å; P372-A376 HydrophobicContact CB-CB 4.28Å; P372-A376 HydrophobicContact CG-CB 3.61Å; M374-A376 VanDerWaalsContact C-N 3.25Å; M374-A376 PolarHBondContact O-N 3.43Å; A376-N379 PolarHBondContact O-N 3.41Å; A376-M380 WeakPolarHBondContact O-CG 3.37Å; A376-M380 PolarHBondContact O-N 3.45Å; A376-I414 HydrophobicContact CB-CB 4.42Å; A376-I414 HydrophobicContact CB-CG1 3.96Å; A376-T417 HydrophobicContact CB-CG2 4.23Å
377L97.3Very high95.2Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-66.3-41.5176.5-173.961.8000110.9M313 I323 I324 L327 F367 M374 L375 N379 M380 L381M313-L377 HydrophobicContact CE-CD2 4.46Å; M313-L377 HydrophobicContact SD-CD2 4.48Å; I323-L377 HydrophobicContact CB-CD2 4.14Å; I323-L377 HydrophobicContact CD1-CD2 4.4Å; I323-L377 HydrophobicContact CG2-CD1 3.96Å; I323-L377 HydrophobicContact CG2-CD2 3.95Å; I323-L377 HydrophobicContact CG2-CG 3.81Å; I324-L377 HydrophobicContact CG1-CD1 3.8Å; I324-L377 HydrophobicContact CG1-CD2 4.33Å; L327-L377 HydrophobicContact CD1-CD1 3.67Å; F367-L377 HydrophobicContact CD1-CB 3.98Å; F367-L377 HydrophobicContact CE1-CB 3.78Å; F367-L377 HydrophobicContact CE1-CD1 4.26Å; F367-L377 HydrophobicContact CE2-CD1 4.15Å; F367-L377 HydrophobicContact CZ-CB 4.23Å; F367-L377 HydrophobicContact CZ-CD1 3.83Å; M374-L377 HydrophobicContact CE-CD2 3.87Å; M374-L377 WeakPolarHBondContact O-CB 3.39Å; M374-L377 PolarHBondContact O-N 3.18Å; M374-L377 HydrophobicContact SD-CD2 4.19Å; L375-L377 VanDerWaalsContact C-N 3.32Å; L375-L377 PolarHBondContact O-N 2.99Å; L377-N379 PolarHBondContact O-N 3.28Å; L377-M380 PolarHBondContact O-N 2.86Å; L377-L381 WeakPolarHBondContact O-CB 3.47Å; L377-L381 PolarHBondContact O-N 2.8Å
378D95.8Very high95.1Very high20 Ų2033.3 Ų33.311%0.10717%0.168CC..Hα-helixtrans-60.2-44.9175.5-62.4-16.3000111.1R308 M374 L375 L381 Y382R308-D378 IonicContact CZ-OD1 3.25Å; R308-D378 IonicContact CZ-OD2 2.66Å; R308-D378 IonicContact NE-OD1 2.97Å; R308-D378 IonicContact NE-OD2 3.26Å; R308-D378 PolarHBondContact NE-OD2 3.06Å; R308-D378 IonicContact NH2-OD1 2.93Å; R308-D378 PolarHBondContact NH2-OD1 3.13Å; R308-D378 IonicContact NH2-OD2 2.78Å; R308-D378 PolarHBondContact NH2-OD2 3.4Å; M374-D378 PolarHBondContact O-N 2.94Å; L375-D378 PolarHBondContact O-N 2.64Å; D378-L381 PolarHBondContact O-N 3.4Å; D378-Y382 WeakPolarHBondContact O-CB 3.35Å; D378-Y382 PolarHBondContact O-N 2.95Å
379N97.9Very high95.2Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-61.7-44.6176.4-74.4-16.8000112.6L375 A376 L377 Y382 L383 T417 W448 F452L375-N379 VanDerWaalsContact O-CG 3.27Å; L375-N379 PolarHBondContact O-N 2.85Å; L375-N379 PolarHBondContact O-ND2 3.49Å; A376-N379 PolarHBondContact O-N 3.41Å; L377-N379 PolarHBondContact O-N 3.28Å; N379-Y382 PolarHBondContact O-N 3.46Å; N379-L383 PolarHBondContact O-N 3Å; N379-T417 WeakPolarHBondContact ND2-CG2 3.44Å; N379-T417 PolarHBondContact ND2-OG1 2.88Å; N379-W448 PolarHBondContact OD1-NE1 3.02Å; N379-F452 HydrophobicContact CB-CD1 3.76Å; N379-F452 HydrophobicContact CB-CD2 4.02Å; N379-F452 HydrophobicContact CB-CE1 3.8Å; N379-F452 HydrophobicContact CB-CE2 4.05Å; N379-F452 HydrophobicContact CB-CG 3.87Å; N379-F452 HydrophobicContact CB-CZ 3.95Å
380M98.3Very high95.4Very high1 Ų133.4 Ų33.41%0.00517%0.171CC..Hα-helixtrans-63.8-42.9177.8-69.6167.382.700111.1L327 F357 F367 A376 L377 L383 A384 F409 A413L327-M380 HydrophobicContact CD1-CB 3.86Å; L327-M380 HydrophobicContact CD1-CE 4.21Å; L327-M380 HydrophobicContact CD2-CB 4.18Å; F357-M380 HydrophobicContact CE1-CE 3.97Å; F357-M380 HydrophobicContact CZ-CE 3.8Å; F367-M380 HydrophobicContact CE1-SD 4.03Å; F367-M380 HydrophobicContact CZ-SD 3.85Å; A376-M380 WeakPolarHBondContact O-CG 3.37Å; A376-M380 PolarHBondContact O-N 3.45Å; L377-M380 PolarHBondContact O-N 2.86Å; M380-L383 PolarHBondContact O-N 3.28Å; M380-A384 WeakPolarHBondContact O-CB 3.38Å; M380-A384 PolarHBondContact O-N 2.97Å; M380-F409 HydrophobicContact CE-CD1 3.82Å; M380-F409 HydrophobicContact CE-CE1 3.26Å; M380-F409 HydrophobicContact CE-CZ 4.06Å; M380-F409 HydrophobicContact CG-CE1 4.25Å; M380-F409 HydrophobicContact CG-CZ 4.12Å; M380-A413 HydrophobicContact CE-CB 4.24Å; M380-A413 HydrophobicContact CG-CB 3.66Å; M380-A413 HydrophobicContact SD-CB 3.83Å
381L96.6Very high95.9Very high35 Ų3531.5 Ų31.518%0.18316%0.16CC..Hα-helixtrans-65.5-41.8178.3-174.366.9000111.4I323 E326 L327 L377 D378 L383 A384 K385I323-L381 HydrophobicContact CG2-CB 4.41Å; I323-L381 HydrophobicContact CG2-CD1 4.19Å; I323-L381 HydrophobicContact CG2-CD2 3.89Å; I323-L381 HydrophobicContact CG2-CG 4.38Å; E326-L381 HydrophobicContact CG-CD1 4.4Å; L327-L381 HydrophobicContact CD2-CB 4.44Å; L327-L381 HydrophobicContact CD2-CD1 4.29Å; L377-L381 WeakPolarHBondContact O-CB 3.47Å; L377-L381 PolarHBondContact O-N 2.8Å; D378-L381 PolarHBondContact O-N 3.4Å; L381-L383 PolarHBondContact O-N 3.4Å; L381-A384 PolarHBondContact O-N 2.92Å; L381-K385 HydrophobicContact CD1-CG 4.01Å; L381-K385 HydrophobicContact CG-CG 4.25Å; L381-K385 WeakPolarHBondContact O-CB 3.21Å; L381-K385 WeakPolarHBondContact O-CG 3.4Å; L381-K385 PolarHBondContact O-N 3.42Å
382Y97Very high96.2Very high24 Ų2431.2 Ų31.29%0.09416%0.155CC..Hα-helixtrans-57.3-49.1174.5-176.2-82.9000111.2D378 N379 A384 K385 L386 R446 E449 E450D378-Y382 WeakPolarHBondContact O-CB 3.35Å; D378-Y382 PolarHBondContact O-N 2.95Å; N379-Y382 PolarHBondContact O-N 3.46Å; Y382-A384 PolarHBondContact O-N 3.4Å; Y382-K385 PolarHBondContact O-N 3.04Å; Y382-L386 HydrophobicContact CD2-CD1 4.46Å; Y382-L386 HydrophobicContact CD2-CG 4.38Å; Y382-L386 HydrophobicContact CE1-CB 4.34Å; Y382-L386 HydrophobicContact CE2-CD1 3.77Å; Y382-L386 HydrophobicContact CE2-CG 4.15Å; Y382-L386 WeakPolarHBondContact O-CB 3.44Å; Y382-L386 PolarHBondContact O-N 3.4Å; Y382-R446 HydrophobicContact CE2-CB 3.77Å; Y382-R446 HydrophobicContact CE2-CG 3.98Å; Y382-E449 HydrophobicContact CD1-CB 3.43Å; Y382-E449 VanDerWaalsContact CD1-CB 3.43Å; Y382-E449 HydrophobicContact CD1-CG 4.23Å; Y382-E449 HydrophobicContact CD2-CB 3.74Å; Y382-E449 HydrophobicContact CD2-CG 3.78Å; Y382-E449 HydrophobicContact CE1-CB 3.56Å; Y382-E449 HydrophobicContact CE2-CB 3.86Å; Y382-E449 HydrophobicContact CE2-CG 4.2Å; Y382-E449 HydrophobicContact CG-CB 3.51Å; Y382-E449 HydrophobicContact CG-CG 3.79Å; Y382-E450 VanDerWaalsContact CE1-OE1 3.25Å; Y382-E450 WeakPolarHBondContact CE1-OE1 3.45Å; Y382-E450 PolarHBondContact OH-OE1 3.44Å
383L98Very high96.2Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-58.8-46.6176.2179.172.6000111.4N379 M380 L381 K385 H387 T390 Y391 F409 F452 C453 I456N379-L383 PolarHBondContact O-N 3Å; M380-L383 PolarHBondContact O-N 3.28Å; L381-L383 PolarHBondContact O-N 3.4Å; L383-K385 PolarHBondContact O-N 3.04Å; L383-H387 HydrophobicContact CD1-CB 4.02Å; L383-H387 CarbonylContact O-C 3.58Å; L383-H387 VanDerWaalsContact O-CA 3.31Å; L383-H387 WeakPolarHBondContact O-CA 3.34Å; L383-H387 PolarHBondContact O-N 3.35Å; L383-T390 HydrophobicContact CD1-CG2 4.31Å; L383-Y391 HydrophobicContact CD2-CD2 4.15Å; L383-Y391 HydrophobicContact CG-CD2 4.5Å; L383-F409 HydrophobicContact CD2-CE2 3.88Å; L383-F409 HydrophobicContact CD2-CZ 4.07Å; L383-F452 HydrophobicContact CB-CE1 4.4Å; L383-F452 HydrophobicContact CD2-CE1 4.44Å; L383-C453 HydrophobicContact CD1-CB 4.08Å; L383-C453 VanDerWaalsContact CD1-SG 3.52Å; L383-I456 HydrophobicContact CD1-CG2 4.39Å; L383-I456 HydrophobicContact CD2-CG2 4Å
384A96.4Very high96.3Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-66.7-35-177.600000113.5L327 I330 M380 L381 Y382 Q388 Y391L327-A384 HydrophobicContact CD2-CB 3.58Å; I330-A384 HydrophobicContact CD1-CB 3.97Å; I330-A384 HydrophobicContact CG2-CB 4.41Å; M380-A384 WeakPolarHBondContact O-CB 3.38Å; M380-A384 PolarHBondContact O-N 2.97Å; L381-A384 PolarHBondContact O-N 2.92Å; Y382-A384 PolarHBondContact O-N 3.4Å; A384-Q388 WeakPolarHBondContact O-CA 3.48Å; A384-Q388 WeakPolarHBondContact O-CB 3.39Å; A384-Y391 HydrophobicContact CB-CD1 3.56Å; A384-Y391 HydrophobicContact CB-CD2 4.15Å; A384-Y391 HydrophobicContact CB-CE1 3.72Å; A384-Y391 HydrophobicContact CB-CE2 4.3Å; A384-Y391 HydrophobicContact CB-CG 3.78Å
385K94.4Very high96.2Very high100 Ų10036.2 Ų36.244%0.43517%0.174SC..Hα-helixtrans-86.3-43.7-177.6-72-75.1-178.5-179.60113.1E326 I330 L381 Y382 L383E326-K385 WeakPolarHBondContact OE1-CE 3.38Å; E326-K385 IonicContact OE1-NZ 2.76Å; E326-K385 PolarHBondContact OE1-NZ 3.4Å; I330-K385 HydrophobicContact CD1-CD 4.1Å; I330-K385 HydrophobicContact CD1-CG 4.46Å; L381-K385 HydrophobicContact CD1-CG 4.01Å; L381-K385 HydrophobicContact CG-CG 4.25Å; L381-K385 WeakPolarHBondContact O-CB 3.21Å; L381-K385 WeakPolarHBondContact O-CG 3.4Å; L381-K385 PolarHBondContact O-N 3.42Å; Y382-K385 PolarHBondContact O-N 3.04Å; L383-K385 PolarHBondContact O-N 3.04Å
386L95.2Very high95.9Very high111 Ų11139.4 Ų39.458%0.58119%0.191SC*.Hα-helixtrans-96.2-26.2-172.7-64.1-138.6000113.1Y382Y382-L386 HydrophobicContact CD2-CD1 4.46Å; Y382-L386 HydrophobicContact CD2-CG 4.38Å; Y382-L386 HydrophobicContact CE1-CB 4.34Å; Y382-L386 HydrophobicContact CE2-CD1 3.77Å; Y382-L386 HydrophobicContact CE2-CG 4.15Å; Y382-L386 WeakPolarHBondContact O-CB 3.44Å; Y382-L386 PolarHBondContact O-N 3.4Å
387H96.3Very high95.5Very high60 Ų6042.5 Ų42.528%0.27821%0.205SC..SBendtrans-124.846.7178.7-63.7-78.2000110.6L383 D389 T390 Y391 E450L383-H387 HydrophobicContact CD1-CB 4.02Å; L383-H387 CarbonylContact O-C 3.58Å; L383-H387 VanDerWaalsContact O-CA 3.31Å; L383-H387 WeakPolarHBondContact O-CA 3.34Å; L383-H387 PolarHBondContact O-N 3.35Å; H387-D389 VanDerWaalsContact C-N 3.31Å; H387-D389 PolarHBondContact O-N 3.11Å; H387-T390 WeakPolarHBondContact O-CA 3.35Å; H387-T390 WeakPolarHBondContact O-CB 3.44Å; H387-T390 PolarHBondContact O-N 2.81Å; H387-Y391 PolarHBondContact O-N 2.9Å; H387-E450 IonicContact CD2-OE1 2.66Å; H387-E450 IonicContact CE1-OE1 3.46Å; H387-E450 IonicContact CE1-OE2 3.58Å; H387-E450 IonicContact NE2-OE1 3.92Å; H387-E450 PolarHBondContact NE2-OE1 2.85Å; H387-E450 IonicContact NE2-OE2 3.59Å; H387-E450 PolarHBondContact NE2-OE2 3.46Å
388Q95.4Very high94.9Very high93 Ų9342.7 Ų42.744%0.43521%0.206SC..Hα-helixtrans-51.1-44.9-171.1-174.4175.2-2.400113.3I330 A384 T390 Y391 I392I330-Q388 HydrophobicContact CG2-CG 3.78Å; A384-Q388 WeakPolarHBondContact O-CA 3.48Å; A384-Q388 WeakPolarHBondContact O-CB 3.39Å; Q388-T390 VanDerWaalsContact C-N 3.29Å; Q388-T390 PolarHBondContact O-N 2.92Å; Q388-Y391 WeakPolarHBondContact O-CB 3.29Å; Q388-Y391 PolarHBondContact O-N 3.42Å; Q388-I392 HydrophobicContact CG-CD1 3.66Å; Q388-I392 HydrophobicContact CG-CG1 4.21Å; Q388-I392 WeakPolarHBondContact O-CB 3.49Å; Q388-I392 WeakPolarHBondContact O-CG1 3.36Å; Q388-I392 PolarHBondContact O-N 3.25Å
389D96.1Very high94.3Very high135 Ų13542.7 Ų42.772%0.72221%0.207SC*.Hα-helixtrans-60.7-39.1178.4-67.3-24.2000112.3H387 R393H387-D389 VanDerWaalsContact C-N 3.31Å; H387-D389 PolarHBondContact O-N 3.11Å; D389-R393 WeakPolarHBondContact O-CB 3.38Å; D389-R393 PolarHBondContact O-N 2.88Å
390T96.5Very high93.1Very high25 Ų2547 Ų4715%0.15324%0.238CC..Hα-helixtrans-69.6-43177.3-63.70000110.8L383 H387 Q388 I394 Q457L383-T390 HydrophobicContact CD1-CG2 4.31Å; H387-T390 WeakPolarHBondContact O-CA 3.35Å; H387-T390 WeakPolarHBondContact O-CB 3.44Å; H387-T390 PolarHBondContact O-N 2.81Å; Q388-T390 VanDerWaalsContact C-N 3.29Å; Q388-T390 PolarHBondContact O-N 2.92Å; T390-I394 HydrophobicContact CG2-CD1 3.85Å; T390-I394 HydrophobicContact CG2-CG1 4.5Å; T390-I394 VanDerWaalsContact O-CG1 3.27Å; T390-I394 WeakPolarHBondContact O-CG1 3.23Å; T390-I394 PolarHBondContact O-N 3.43Å; T390-Q457 HydrophobicContact CG2-CG 3.68Å
391Y97.1Very high91.8Very high0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-58.3-56.6175.6173-116.2000111.8L327 I330 A331 L355 L383 A384 H387 Q388 R393 I394 V395 F409L327-Y391 VanDerWaalsContact C-OH 3.29Å; L327-Y391 WeakPolarHBondContact O-CE1 3.31Å; L327-Y391 PolarHBondContact O-OH 2.92Å; I330-Y391 HydrophobicContact CB-CD1 4.45Å; I330-Y391 HydrophobicContact CB-CE1 4.03Å; I330-Y391 HydrophobicContact CG2-CD1 3.7Å; I330-Y391 HydrophobicContact CG2-CE1 3.78Å; A331-Y391 HydrophobicContact CB-CE1 3.78Å; L355-Y391 WeakPolarHBondContact CD2-OH 3.49Å; L383-Y391 HydrophobicContact CD2-CD2 4.15Å; L383-Y391 HydrophobicContact CG-CD2 4.5Å; A384-Y391 HydrophobicContact CB-CD1 3.56Å; A384-Y391 HydrophobicContact CB-CD2 4.15Å; A384-Y391 HydrophobicContact CB-CE1 3.72Å; A384-Y391 HydrophobicContact CB-CE2 4.3Å; A384-Y391 HydrophobicContact CB-CG 3.78Å; H387-Y391 PolarHBondContact O-N 2.9Å; Q388-Y391 WeakPolarHBondContact O-CB 3.29Å; Q388-Y391 PolarHBondContact O-N 3.42Å; Y391-R393 VanDerWaalsContact C-N 3.29Å; Y391-R393 PolarHBondContact O-N 3.5Å; Y391-I394 PolarHBondContact O-N 3.01Å; Y391-I394 VanDerWaalsContact O-N 3.16Å; Y391-V395 HydrophobicContact CD2-CG2 4.04Å; Y391-V395 HydrophobicContact CE2-CG2 3.62Å; Y391-V395 WeakPolarHBondContact O-CG2 3.24Å; Y391-V395 PolarHBondContact O-N 2.97Å; Y391-F409 HydrophobicContact CD2-CE1 4.2Å; Y391-F409 HydrophobicContact CD2-CE2 4.35Å; Y391-F409 AromaticContact CD2-CZ 3.81Å; Y391-F409 HydrophobicContact CD2-CZ 3.81Å; Y391-F409 HydrophobicContact CE2-CD1 4.29Å; Y391-F409 AromaticContact CE2-CE1 3.5Å; Y391-F409 HydrophobicContact CE2-CE1 3.5Å; Y391-F409 HydrophobicContact CE2-CE2 4.42Å; Y391-F409 AromaticContact CE2-CZ 3.59Å; Y391-F409 HydrophobicContact CE2-CZ 3.59Å
392I94.4Very high90.4Very high42 Ų4258.8 Ų58.822%0.21529%0.289CS..Hα-helixtrans-57.2-45.9-179.6-69.1174.8000109.9I330 Q388 I394 V395 L396I330-I392 HydrophobicContact CG2-CG1 4.43Å; Q388-I392 HydrophobicContact CG-CD1 3.66Å; Q388-I392 HydrophobicContact CG-CG1 4.21Å; Q388-I392 WeakPolarHBondContact O-CB 3.49Å; Q388-I392 WeakPolarHBondContact O-CG1 3.36Å; Q388-I392 PolarHBondContact O-N 3.25Å; I392-I394 PolarHBondContact O-N 2.69Å; I392-V395 PolarHBondContact O-N 2.93Å; I392-L396 HydrophobicContact CG2-CD1 3.48Å; I392-L396 VanDerWaalsContact CG2-CD1 3.48Å; I392-L396 HydrophobicContact CG2-CG 3.98Å; I392-L396 WeakPolarHBondContact O-CB 3.35Å; I392-L396 WeakPolarHBondContact O-CG 3.46Å; I392-L396 PolarHBondContact O-N 3.02Å
393R94.4Very high89.5Confident107 Ų10760.8 Ų60.840%0.40430%0.301SS..Hα-helixtrans-59.4-47.3178.1-177.6175.763.1810.1112D389 Y391 V395 E397D389-R393 WeakPolarHBondContact O-CB 3.38Å; D389-R393 PolarHBondContact O-N 2.88Å; Y391-R393 VanDerWaalsContact C-N 3.29Å; Y391-R393 PolarHBondContact O-N 3.5Å; R393-V395 VanDerWaalsContact C-N 3.34Å; R393-V395 PolarHBondContact O-N 3.08Å; R393-E397 WeakPolarHBondContact CD-OE1 3.38Å; R393-E397 HydrophobicContact CG-CG 4.12Å; R393-E397 WeakPolarHBondContact CG-OE1 3.33Å; R393-E397 IonicContact NH1-OE1 3.35Å; R393-E397 PolarHBondContact NH1-OE1 2.74Å; R393-E397 IonicContact NH1-OE2 3.84Å; R393-E397 WeakPolarHBondContact O-CB 3.36Å; R393-E397 WeakPolarHBondContact O-CG 3.32Å; R393-E397 PolarHBondContact O-N 3.04Å
394I94.5Very high88.9Confident3 Ų369 Ų692%0.01534%0.337CS..Hα-helixtrans-61.7-43.2178.5-70.4168.3000111T390 Y391 I392 N398 F409 I456 Q457T390-I394 HydrophobicContact CG2-CD1 3.85Å; T390-I394 HydrophobicContact CG2-CG1 4.5Å; T390-I394 VanDerWaalsContact O-CG1 3.27Å; T390-I394 WeakPolarHBondContact O-CG1 3.23Å; T390-I394 PolarHBondContact O-N 3.43Å; Y391-I394 PolarHBondContact O-N 3.01Å; Y391-I394 VanDerWaalsContact O-N 3.16Å; I392-I394 PolarHBondContact O-N 2.69Å; I394-N398 PolarHBondContact O-ND2 3.3Å; I394-F409 HydrophobicContact CG2-CD2 3.82Å; I394-F409 HydrophobicContact CG2-CE2 4.46Å; I394-I456 HydrophobicContact CD1-CG2 4.31Å; I394-Q457 HydrophobicContact CD1-CG 4.1Å
395V93.5Very high88.6Confident2 Ų271.8 Ų71.81%0.01235%0.349CS..Hα-helixtrans-68.4-53-178.8175.90000110.8A331 F332 L355 Y391 I392 R393 E397 N398 S399 F409A331-V395 HydrophobicContact CB-CB 4.34Å; A331-V395 HydrophobicContact CB-CG1 3.93Å; A331-V395 HydrophobicContact CB-CG2 4.47Å; F332-V395 HydrophobicContact CE1-CG1 3.8Å; F332-V395 HydrophobicContact CZ-CG1 3.64Å; L355-V395 HydrophobicContact CD2-CG1 3.77Å; L355-V395 HydrophobicContact CD2-CG2 3.85Å; L355-V395 HydrophobicContact CG-CG1 4.47Å; Y391-V395 HydrophobicContact CD2-CG2 4.04Å; Y391-V395 HydrophobicContact CE2-CG2 3.62Å; Y391-V395 WeakPolarHBondContact O-CG2 3.24Å; Y391-V395 PolarHBondContact O-N 2.97Å; I392-V395 PolarHBondContact O-N 2.93Å; R393-V395 VanDerWaalsContact C-N 3.34Å; R393-V395 PolarHBondContact O-N 3.08Å; V395-E397 PolarHBondContact O-N 3.32Å; V395-N398 PolarHBondContact O-N 3.25Å; V395-N398 VanDerWaalsContact O-N 3.11Å; V395-S399 WeakPolarHBondContact O-CB 3.36Å; V395-S399 PolarHBondContact O-N 3.46Å; V395-S399 PolarHBondContact O-OG 3.48Å; V395-F409 HydrophobicContact CG2-CD1 4.16Å; V395-F409 HydrophobicContact CG2-CG 4.21Å
396L90.8Very high88.4Confident69 Ų6971.6 Ų71.636%0.36135%0.35SS..Hα-helixtrans-68-34.7-174.4-65.8-175.8000113.7F332 I392 N398 S399 S400F332-L396 HydrophobicContact CD1-CD2 4.02Å; F332-L396 HydrophobicContact CE1-CD2 4.07Å; I392-L396 HydrophobicContact CG2-CD1 3.48Å; I392-L396 VanDerWaalsContact CG2-CD1 3.48Å; I392-L396 HydrophobicContact CG2-CG 3.98Å; I392-L396 WeakPolarHBondContact O-CB 3.35Å; I392-L396 WeakPolarHBondContact O-CG 3.46Å; I392-L396 PolarHBondContact O-N 3.02Å; L396-N398 PolarHBondContact O-N 2.9Å; L396-S399 WeakPolarHBondContact CA-OG 3.5Å; L396-S399 PolarHBondContact O-OG 3.13Å; L396-S400 WeakPolarHBondContact O-CB 3.47Å; L396-S400 PolarHBondContact O-N 2.95Å; L396-S400 PolarHBondContact O-OG 3.4Å
397E89.2Confident88.3Confident66 Ų6666.6 Ų66.631%0.30833%0.325SS..Hα-helixtrans-61.6-25174.2-78.3174.8177.900112.5R393 V395 R401 N460 K464R393-E397 WeakPolarHBondContact CD-OE1 3.38Å; R393-E397 HydrophobicContact CG-CG 4.12Å; R393-E397 WeakPolarHBondContact CG-OE1 3.33Å; R393-E397 IonicContact NH1-OE1 3.35Å; R393-E397 PolarHBondContact NH1-OE1 2.74Å; R393-E397 IonicContact NH1-OE2 3.84Å; R393-E397 WeakPolarHBondContact O-CB 3.36Å; R393-E397 WeakPolarHBondContact O-CG 3.32Å; R393-E397 PolarHBondContact O-N 3.04Å; V395-E397 PolarHBondContact O-N 3.32Å; E397-R401 WeakPolarHBondContact O-CD 3.38Å; E397-R401 VanDerWaalsContact O-CG 3.32Å; E397-R401 WeakPolarHBondContact O-CG 3.35Å; E397-N460 PolarHBondContact OE2-ND2 3.11Å; E397-K464 IonicContact OE2-NZ 3.3Å; E397-K464 PolarHBondContact OE2-NZ 3.48Å
398N86.2Confident88.2Confident4 Ų464.9 Ų64.92%0.02132%0.319CS..Hα-helixtrans-105.9-29-176.9-71.2-66000113I394 V395 L396 E406 C407 N460I394-N398 PolarHBondContact O-ND2 3.3Å; V395-N398 PolarHBondContact O-N 3.25Å; V395-N398 VanDerWaalsContact O-N 3.11Å; L396-N398 PolarHBondContact O-N 2.9Å; N398-E406 WeakPolarHBondContact O-CB 3.48Å; N398-C407 VanDerWaalsContact OD1-CB 3.3Å; N398-C407 WeakPolarHBondContact OD1-CB 3.45Å; N398-C407 PolarHBondContact OD1-N 3.23Å; N398-N460 PolarHBondContact ND2-OD1 3.25Å
399S81.9Confident88.2Confident19 Ų1960.7 Ų60.713%0.13330%0.299CS..Hα-helixtrans-75.8-24.7178.465.20000114.1V395 L396 R401V395-S399 WeakPolarHBondContact O-CB 3.36Å; V395-S399 PolarHBondContact O-N 3.46Å; V395-S399 PolarHBondContact O-OG 3.48Å; L396-S399 WeakPolarHBondContact CA-OG 3.5Å; L396-S399 PolarHBondContact O-OG 3.13Å; S399-R401 VanDerWaalsContact C-N 3.34Å
400S72.3Confident88.3Confident91 Ų9154.2 Ų54.264%0.63627%0.265SS*.THydrogen-bonded Turntrans-91.11.1-175.5-47.30000112.9L396L396-S400 WeakPolarHBondContact O-CB 3.47Å; L396-S400 PolarHBondContact O-N 2.95Å; L396-S400 PolarHBondContact O-OG 3.4Å
401R72.4Confident88.3Confident78 Ų7857.1 Ų57.129%0.29427%0.273SS..  trans-88.7124.8-179.7-62.5-174.974.6178.25108.9E397 S399 D403 H405E397-R401 WeakPolarHBondContact O-CD 3.38Å; E397-R401 VanDerWaalsContact O-CG 3.32Å; E397-R401 WeakPolarHBondContact O-CG 3.35Å; S399-R401 VanDerWaalsContact C-N 3.34Å; R401-D403 VanDerWaalsContact C-N 3.25Å; R401-D403 IonicContact CZ-OD1 2.75Å; R401-D403 IonicContact CZ-OD2 3.25Å; R401-D403 IonicContact NE-OD1 3.41Å; R401-D403 PolarHBondContact NE-OD1 3.44Å; R401-D403 VanDerWaalsContact NE-OD1 3.15Å; R401-D403 IonicContact NE-OD2 3.34Å; R401-D403 PolarHBondContact NE-OD2 2.95Å; R401-D403 IonicContact NH2-OD1 3.67Å; R401-D403 PolarHBondContact NH2-OD1 3.21Å; R401-D403 IonicContact NH2-OD2 3.82Å; R401-D403 PolarHBondContact NH2-OD2 3.05Å; R401-H405 PolarHBondContact NH1-O 3.35Å
402E67.1Low88.3Confident206 Ų20657.1 Ų57.196%0.96327%0.273SS*.  trans-884.3172.1-60.9-172.8165.200112.2
403D76.9Confident88.5Confident65 Ų6555.1 Ų55.135%0.34826%0.262SS..SBendtrans-94.9166.4-179.870.121.2000112.5R401 H405R401-D403 VanDerWaalsContact C-N 3.25Å; R401-D403 IonicContact CZ-OD1 2.75Å; R401-D403 IonicContact CZ-OD2 3.25Å; R401-D403 IonicContact NE-OD1 3.41Å; R401-D403 PolarHBondContact NE-OD1 3.44Å; R401-D403 VanDerWaalsContact NE-OD1 3.15Å; R401-D403 IonicContact NE-OD2 3.34Å; R401-D403 PolarHBondContact NE-OD2 2.95Å; R401-D403 IonicContact NH2-OD1 3.67Å; R401-D403 PolarHBondContact NH2-OD1 3.21Å; R401-D403 IonicContact NH2-OD2 3.82Å; R401-D403 PolarHBondContact NH2-OD2 3.05Å; D403-H405 PolarHBondContact O-N 2.87Å; D403-H405 WeakPolarHBondContact OD1-CB 3.39Å; D403-H405 PolarHBondContact OD1-N 3.15Å; D403-H405 IonicContact OD2-CD2 3.95Å
404K86.6Confident88.7Confident173 Ų17350.6 Ų50.675%0.75225%0.246SC*.THydrogen-bonded Turntrans-71.46.1-179.6-62.8-176178.6-176.40113.9T469K404-T469 HydrophobicContact CB-CG2 4.08Å; K404-T469 WeakPolarHBondContact O-CA 3.43Å; K404-T469 WeakPolarHBondContact O-CB 3.44Å; K404-T469 WeakPolarHBondContact O-CG2 3.47Å
405H89.3Confident88.9Confident58 Ų5852.9 Ų52.927%0.26926%0.257SS..THydrogen-bonded Turntrans-104.811.7-171.1-60.8-69.7000113.7R401 D403 C407 W463 R467 A468R401-H405 PolarHBondContact NH1-O 3.35Å; D403-H405 PolarHBondContact O-N 2.87Å; D403-H405 WeakPolarHBondContact OD1-CB 3.39Å; D403-H405 PolarHBondContact OD1-N 3.15Å; D403-H405 IonicContact OD2-CD2 3.95Å; H405-C407 PolarHBondContact O-N 3.31Å; H405-W463 PolarHBondContact O-NE1 2.94Å; H405-R467 PolarHBondContact CE1-O 3.28Å; H405-R467 PolarHBondContact ND1-O 2.88Å; H405-A468 WeakPolarHBondContact CA-O 3.31Å; H405-A468 PolarHBondContact ND1-O 3.31Å
406E89.9Confident89.2Confident96 Ų9652.8 Ų52.845%0.44926%0.256SS..  trans-57.7127.9170.160.9-171.1-165.800111.4N398 P408 W463N398-E406 WeakPolarHBondContact O-CB 3.48Å; E406-P408 WeakPolarHBondContact O-CD 3.46Å; E406-W463 WeakPolarHBondContact O-CZ2 3.2Å
407C92.8Very high89.5Confident7 Ų749.5 Ų49.55%0.04724%0.239CC..  trans-86.7116.7172.6179.10000109.3N398 H405 F409 C412 W463N398-C407 VanDerWaalsContact OD1-CB 3.3Å; N398-C407 WeakPolarHBondContact OD1-CB 3.45Å; N398-C407 PolarHBondContact OD1-N 3.23Å; H405-C407 PolarHBondContact O-N 3.31Å; C407-F409 PolarHBondContact O-N 3.11Å; C407-C412 PolarHBondContact SG-SG 3.13Å; C407-W463 HydrophobicContact CB-CB 4.5Å; C407-W463 HydrophobicContact CB-CD2 3.87Å; C407-W463 HydrophobicContact CB-CG 3.8Å
408P94.7Very high90Very high24 Ų2448 Ų4816%0.15623%0.231CC..  trans-75.795.4-17630.2-34.5000111.1E406 G410 R411 C412 F473E406-P408 WeakPolarHBondContact O-CD 3.46Å; P408-G410 PolarHBondContact O-N 2.96Å; P408-R411 HydrophobicContact CB-CB 4.15Å; P408-R411 HydrophobicContact CG-CB 4.21Å; P408-R411 PolarHBondContact O-N 2.83Å; P408-C412 WeakPolarHBondContact O-CB 3.39Å; P408-C412 PolarHBondContact O-N 3.42Å; P408-C412 PolarHBondContact O-SG 3.02Å; P408-F473 HydrophobicContact CG-CD2 4.28Å; P408-F473 HydrophobicContact CG-CE2 4.34Å
409F96.6Very high90.6Very high4 Ų448 Ų482%0.01823%0.23CC..Hα-helixtrans-53.4-49.4-172.2169.1-99.1000113.5L355 M380 L383 Y391 I394 V395 C407 C412 A413 I456L355-F409 HydrophobicContact CD2-CD1 4.31Å; L355-F409 WeakPolarHBondContact O-CB 3.35Å; L355-F409 PolarHBondContact O-N 3.1Å; M380-F409 HydrophobicContact CE-CD1 3.82Å; M380-F409 HydrophobicContact CE-CE1 3.26Å; M380-F409 HydrophobicContact CE-CZ 4.06Å; M380-F409 HydrophobicContact CG-CE1 4.25Å; M380-F409 HydrophobicContact CG-CZ 4.12Å; L383-F409 HydrophobicContact CD2-CE2 3.88Å; L383-F409 HydrophobicContact CD2-CZ 4.07Å; Y391-F409 HydrophobicContact CD2-CE1 4.2Å; Y391-F409 HydrophobicContact CD2-CE2 4.35Å; Y391-F409 AromaticContact CD2-CZ 3.81Å; Y391-F409 HydrophobicContact CD2-CZ 3.81Å; Y391-F409 HydrophobicContact CE2-CD1 4.29Å; Y391-F409 AromaticContact CE2-CE1 3.5Å; Y391-F409 HydrophobicContact CE2-CE1 3.5Å; Y391-F409 HydrophobicContact CE2-CE2 4.42Å; Y391-F409 AromaticContact CE2-CZ 3.59Å; Y391-F409 HydrophobicContact CE2-CZ 3.59Å; I394-F409 HydrophobicContact CG2-CD2 3.82Å; I394-F409 HydrophobicContact CG2-CE2 4.46Å; V395-F409 HydrophobicContact CG2-CD1 4.16Å; V395-F409 HydrophobicContact CG2-CG 4.21Å; C407-F409 PolarHBondContact O-N 3.11Å; F409-C412 PolarHBondContact O-N 2.8Å; F409-A413 HydrophobicContact CZ-CB 4.47Å; F409-A413 VanDerWaalsContact O-CB 3.31Å; F409-A413 WeakPolarHBondContact O-CB 3.48Å; F409-A413 PolarHBondContact O-N 2.89Å; F409-I456 HydrophobicContact CD2-CG1 4.48Å; F409-I456 HydrophobicContact CE2-CG1 4.18Å
410G96.3Very high91.4Very high0 Ų047 Ų470%022%0.224CC..Hα-helixtrans-57.9-52.4-179.900000112.6L355 P408 C412 A413 I414L355-G410 PolarHBondContact O-N 3.5Å; P408-G410 PolarHBondContact O-N 2.96Å; G410-C412 PolarHBondContact O-N 3.04Å; G410-A413 PolarHBondContact O-N 3.32Å; G410-I414 WeakPolarHBondContact O-CG1 3.24Å; G410-I414 PolarHBondContact O-N 3.42Å
411R97.1Very high92.5Very high86 Ų8643 Ų4333%0.32520%0.195SC..Hα-helixtrans-60.5-43.6176.3-171-175.3171.9-175.5-2.5112.3G356 P408 E415 F473G356-R411 PolarHBondContact O-N 3.27Å; P408-R411 HydrophobicContact CB-CB 4.15Å; P408-R411 HydrophobicContact CG-CB 4.21Å; P408-R411 PolarHBondContact O-N 2.83Å; R411-E415 WeakPolarHBondContact O-CB 3.28Å; R411-E415 PolarHBondContact O-N 3.33Å; R411-F473 HydrophobicContact CB-CE2 4.27Å; R411-F473 HydrophobicContact CG-CE1 4.41Å; R411-F473 HydrophobicContact CG-CE2 3.72Å; R411-F473 HydrophobicContact CG-CZ 3.66Å
412C98.1Very high93.5Very high0 Ų043.7 Ų43.70%020%0.202CC..Hα-helixtrans-64.5-42.2178.7-71.80000112.5C407 P408 F409 G410 E415 L416 I456 L459 F473C407-C412 PolarHBondContact SG-SG 3.13Å; P408-C412 WeakPolarHBondContact O-CB 3.39Å; P408-C412 PolarHBondContact O-N 3.42Å; P408-C412 PolarHBondContact O-SG 3.02Å; F409-C412 PolarHBondContact O-N 2.8Å; G410-C412 PolarHBondContact O-N 3.04Å; C412-E415 PolarHBondContact O-N 3.49Å; C412-L416 WeakPolarHBondContact O-CB 3.31Å; C412-L416 PolarHBondContact O-N 2.75Å; C412-I456 HydrophobicContact CB-CD1 4.37Å; C412-L459 HydrophobicContact CB-CD1 3.93Å; C412-L459 HydrophobicContact CB-CD2 3.84Å; C412-F473 VanDerWaalsContact SG-CE2 3.55Å
413A98.4Very high94.9Very high0 Ų035.6 Ų35.60%017%0.165CC..Hα-helixtrans-65.2-41.2-179.900000112.2M380 F409 G410 T417 F452M380-A413 HydrophobicContact CE-CB 4.24Å; M380-A413 HydrophobicContact CG-CB 3.66Å; M380-A413 HydrophobicContact SD-CB 3.83Å; F409-A413 HydrophobicContact CZ-CB 4.47Å; F409-A413 VanDerWaalsContact O-CB 3.31Å; F409-A413 WeakPolarHBondContact O-CB 3.48Å; F409-A413 PolarHBondContact O-N 2.89Å; G410-A413 PolarHBondContact O-N 3.32Å; A413-T417 WeakPolarHBondContact O-CB 3.27Å; A413-T417 PolarHBondContact O-N 2.82Å; A413-T417 PolarHBondContact O-OG1 2.97Å; A413-F452 HydrophobicContact CB-CE2 4.43Å; A413-F452 HydrophobicContact CB-CZ 3.99Å
414I98.6Very high95.8Very high12 Ų1233.3 Ų33.36%0.06215%0.152CC..Hα-helixtrans-64.6-51175.4-66.3170.3000110.2D366 F367 P372 A376 G410 L416 T417 R418D366-I414 HydrophobicContact CB-CD1 3.66Å; F367-I414 HydrophobicContact CD1-CD1 4.19Å; F367-I414 HydrophobicContact CD1-CG1 4.31Å; F367-I414 HydrophobicContact CE1-CD1 3.9Å; F367-I414 HydrophobicContact CE1-CG1 3.87Å; F367-I414 HydrophobicContact CZ-CD1 4.19Å; F367-I414 HydrophobicContact CZ-CG1 4.48Å; P372-I414 HydrophobicContact CG-CG2 3.83Å; P372-I414 WeakPolarHBondContact CG-O 3.42Å; A376-I414 HydrophobicContact CB-CB 4.42Å; A376-I414 HydrophobicContact CB-CG1 3.96Å; G410-I414 WeakPolarHBondContact O-CG1 3.24Å; G410-I414 PolarHBondContact O-N 3.42Å; I414-L416 VanDerWaalsContact C-N 3.34Å; I414-L416 PolarHBondContact O-N 2.68Å; I414-T417 PolarHBondContact O-N 3Å; I414-R418 PolarHBondContact O-N 3.17Å; I414-R418 VanDerWaalsContact O-N 3.13Å
415E98.5Very high95.9Very high51 Ų5130.3 Ų30.324%0.23814%0.141CC..Hα-helixtrans-63.8-40.3-179.6-168.163.5-128.800112.3R411 C412 R418 M419 F473 M477R411-E415 WeakPolarHBondContact O-CB 3.28Å; R411-E415 PolarHBondContact O-N 3.33Å; C412-E415 PolarHBondContact O-N 3.49Å; E415-R418 PolarHBondContact O-N 2.85Å; E415-R418 IonicContact OE1-NH1 3.14Å; E415-R418 PolarHBondContact OE1-NH1 3.02Å; E415-R418 IonicContact OE2-CZ 2.97Å; E415-R418 IonicContact OE2-NH1 3.58Å; E415-R418 PolarHBondContact OE2-NH1 3.47Å; E415-M419 WeakPolarHBondContact O-CB 3.19Å; E415-M419 PolarHBondContact O-N 3.38Å; E415-F473 HydrophobicContact CB-CE1 4.14Å; E415-F473 HydrophobicContact CB-CZ 3.79Å; E415-F473 HydrophobicContact CG-CE1 3.91Å; E415-F473 HydrophobicContact CG-CZ 4.06Å; E415-M477 HydrophobicContact CB-CE 3.8Å; E415-M477 HydrophobicContact CG-CE 3.53Å; E415-M477 HydrophobicContact CG-CG 3.96Å; E415-M477 HydrophobicContact CG-SD 4.3Å
416L98.8Very high95.9Very high0 Ų028.1 Ų28.10%013%0.132CC..Hα-helixtrans-62.7-45.817717862000110.5C412 I414 R418 M419 L420 F452 C455 I456 L459 M477 V480 I484C412-L416 WeakPolarHBondContact O-CB 3.31Å; C412-L416 PolarHBondContact O-N 2.75Å; I414-L416 VanDerWaalsContact C-N 3.34Å; I414-L416 PolarHBondContact O-N 2.68Å; L416-R418 VanDerWaalsContact C-N 3.31Å; L416-R418 PolarHBondContact O-N 3.47Å; L416-M419 HydrophobicContact CD1-SD 4.42Å; L416-M419 WeakPolarHBondContact O-CB 3.04Å; L416-M419 PolarHBondContact O-N 3.18Å; L416-L420 HydrophobicContact CD1-CD1 4.42Å; L416-L420 HydrophobicContact CD1-CD2 4.07Å; L416-L420 HydrophobicContact CD1-CG 4.05Å; L416-L420 HydrophobicContact CG-CD1 4.26Å; L416-L420 HydrophobicContact CG-CG 4.25Å; L416-L420 VanDerWaalsContact O-CG 3.3Å; L416-L420 WeakPolarHBondContact O-CG 3.25Å; L416-L420 PolarHBondContact O-N 2.92Å; L416-F452 HydrophobicContact CB-CE2 4.5Å; L416-F452 HydrophobicContact CD2-CD2 4.02Å; L416-F452 HydrophobicContact CD2-CE2 3.94Å; L416-F452 HydrophobicContact CG-CD2 4.33Å; L416-F452 HydrophobicContact CG-CE2 4.33Å; L416-C455 HydrophobicContact CD1-CB 3.94Å; L416-C455 HydrophobicContact CD2-CB 3.82Å; L416-C455 HydrophobicContact CG-CB 4.34Å; L416-I456 HydrophobicContact CD2-CB 3.82Å; L416-I456 HydrophobicContact CD2-CD1 3.92Å; L416-I456 HydrophobicContact CD2-CG1 4.47Å; L416-L459 HydrophobicContact CB-CD1 4.16Å; L416-L459 HydrophobicContact CD2-CD1 4.4Å; L416-M477 HydrophobicContact CB-CE 4.24Å; L416-V480 HydrophobicContact CD1-CG1 4.42Å; L416-I484 HydrophobicContact CD1-CD1 4.21Å
417T98.8Very high95.2Very high0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-57.2-46.6178.4-590000111P372 L375 A376 N379 A413 I414 M419 L420 C421 W448P372-T417 HydrophobicContact CB-CG2 3.52Å; P372-T417 HydrophobicContact CG-CG2 4.18Å; L375-T417 HydrophobicContact CB-CG2 4.38Å; L375-T417 HydrophobicContact CD2-CG2 4.09Å; L375-T417 HydrophobicContact CG-CG2 3.93Å; A376-T417 HydrophobicContact CB-CG2 4.23Å; N379-T417 WeakPolarHBondContact ND2-CG2 3.44Å; N379-T417 PolarHBondContact ND2-OG1 2.88Å; A413-T417 WeakPolarHBondContact O-CB 3.27Å; A413-T417 PolarHBondContact O-N 2.82Å; A413-T417 PolarHBondContact O-OG1 2.97Å; I414-T417 PolarHBondContact O-N 3Å; T417-M419 PolarHBondContact O-N 3.33Å; T417-L420 PolarHBondContact O-N 3.42Å; T417-C421 PolarHBondContact O-N 2.66Å; T417-C421 PolarHBondContact O-SG 2.93Å; T417-W448 HydrophobicContact CG2-CZ2 4.31Å
418R98.3Very high94.5Very high35 Ų3529.7 Ų29.713%0.13214%0.144CC..Hα-helixtrans-57.7-49.3175.3-175.6-176.1-551091.1112P371 I414 E415 L416 L420 C421 E422P371-R418 HydrophobicContact CB-CG 4.24Å; P371-R418 HydrophobicContact CG-CG 3.97Å; P371-R418 PolarHBondContact O-NE 3.34Å; P371-R418 PolarHBondContact O-NH2 3.3Å; I414-R418 PolarHBondContact O-N 3.17Å; I414-R418 VanDerWaalsContact O-N 3.13Å; E415-R418 PolarHBondContact O-N 2.85Å; E415-R418 IonicContact OE1-NH1 3.14Å; E415-R418 PolarHBondContact OE1-NH1 3.02Å; E415-R418 IonicContact OE2-CZ 2.97Å; E415-R418 IonicContact OE2-NH1 3.58Å; E415-R418 PolarHBondContact OE2-NH1 3.47Å; L416-R418 VanDerWaalsContact C-N 3.31Å; L416-R418 PolarHBondContact O-N 3.47Å; R418-L420 VanDerWaalsContact C-N 3.31Å; R418-L420 PolarHBondContact O-N 2.94Å; R418-C421 WeakPolarHBondContact O-CB 3.32Å; R418-C421 PolarHBondContact O-N 3.39Å; R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 3Å
419M98.6Very high93.5Very high2 Ų234.4 Ų34.41%0.0117%0.167CC..Hα-helixtrans-58.5-41.7178.6173.8-170.5-6000112.3E415 L416 T417 E422 I423 M477 V480 R481 I484E415-M419 WeakPolarHBondContact O-CB 3.19Å; E415-M419 PolarHBondContact O-N 3.38Å; L416-M419 HydrophobicContact CD1-SD 4.42Å; L416-M419 WeakPolarHBondContact O-CB 3.04Å; L416-M419 PolarHBondContact O-N 3.18Å; T417-M419 PolarHBondContact O-N 3.33Å; M419-E422 PolarHBondContact O-N 2.73Å; M419-I423 HydrophobicContact CG-CD1 3.77Å; M419-I423 HydrophobicContact CG-CG1 4.38Å; M419-I423 VanDerWaalsContact O-CG1 3.26Å; M419-I423 WeakPolarHBondContact O-CG1 3.03Å; M419-I423 PolarHBondContact O-N 3.38Å; M419-I423 HydrophobicContact SD-CD1 4.41Å; M419-M477 HydrophobicContact CE-CB 3.74Å; M419-M477 HydrophobicContact CE-CE 3.34Å; M419-M477 WeakPolarHBondContact CE-O 3.38Å; M419-M477 HydrophobicContact CE-SD 4.46Å; M419-M477 HydrophobicContact SD-CE 4.34Å; M419-V480 HydrophobicContact SD-CG1 4.43Å; M419-R481 HydrophobicContact CE-CB 3.92Å; M419-R481 HydrophobicContact CG-CB 4.33Å; M419-R481 HydrophobicContact CG-CG 4.3Å; M419-R481 HydrophobicContact SD-CB 3.63Å; M419-R481 HydrophobicContact SD-CG 4.23Å; M419-I484 HydrophobicContact SD-CD1 4.48Å
420L98.6Very high92.3Very high0 Ų035.4 Ų35.40%017%0.174CC..Hα-helixtrans-65.8-39.7177.7-64.4-173.1000111.5L416 T417 R418 E422 I423 L424 W448 F451 F452 C455 I484L416-L420 HydrophobicContact CD1-CD1 4.42Å; L416-L420 HydrophobicContact CD1-CD2 4.07Å; L416-L420 HydrophobicContact CD1-CG 4.05Å; L416-L420 HydrophobicContact CG-CD1 4.26Å; L416-L420 HydrophobicContact CG-CG 4.25Å; L416-L420 VanDerWaalsContact O-CG 3.3Å; L416-L420 WeakPolarHBondContact O-CG 3.25Å; L416-L420 PolarHBondContact O-N 2.92Å; T417-L420 PolarHBondContact O-N 3.42Å; R418-L420 VanDerWaalsContact C-N 3.31Å; R418-L420 PolarHBondContact O-N 2.94Å; L420-E422 VanDerWaalsContact C-N 3.32Å; L420-E422 PolarHBondContact O-N 2.64Å; L420-I423 PolarHBondContact O-N 3.13Å; L420-L424 WeakPolarHBondContact O-CB 3.07Å; L420-L424 PolarHBondContact O-N 3.27Å; L420-W448 HydrophobicContact CB-CH2 3.77Å; L420-W448 HydrophobicContact CB-CZ2 4.41Å; L420-W448 HydrophobicContact CB-CZ3 4.28Å; L420-F451 HydrophobicContact CB-CE1 4.44Å; L420-F451 HydrophobicContact CD1-CD1 3.97Å; L420-F451 HydrophobicContact CD1-CE1 3.98Å; L420-F451 HydrophobicContact CD2-CD1 4.38Å; L420-F451 HydrophobicContact CD2-CE1 3.56Å; L420-F451 HydrophobicContact CD2-CZ 3.94Å; L420-F451 HydrophobicContact CG-CE1 4.17Å; L420-F452 HydrophobicContact CD1-CB 4.21Å; L420-F452 HydrophobicContact CD1-CD2 4.33Å; L420-C455 HydrophobicContact CD1-CB 4.34Å; L420-C455 HydrophobicContact CD2-CB 4.42Å; L420-I484 HydrophobicContact CD2-CD1 3.89Å; L420-I484 HydrophobicContact CD2-CG2 4.47Å
421C97Very high91Very high6 Ų636.9 Ų36.94%0.04118%0.182CC..Hα-helixtrans-59.7-43.1174.2-67.20000111.5M309 T417 R418 Q425 V426 W448M309-C421 HydrophobicContact SD-CB 3.55Å; M309-C421 VanDerWaalsContact SD-CB 3.55Å; M309-C421 PolarHBondContact SD-SG 3.26Å; T417-C421 PolarHBondContact O-N 2.66Å; T417-C421 PolarHBondContact O-SG 2.93Å; R418-C421 WeakPolarHBondContact O-CB 3.32Å; R418-C421 PolarHBondContact O-N 3.39Å; C421-Q425 WeakPolarHBondContact O-CA 3.3Å; C421-Q425 PolarHBondContact O-N 2.93Å; C421-V426 HydrophobicContact CB-CB 4.13Å; C421-V426 HydrophobicContact CB-CG2 4.18Å; C421-V426 PolarHBondContact O-N 2.98Å; C421-W448 HydrophobicContact CB-CH2 4.47Å; C421-W448 VanDerWaalsContact SG-CH2 3.54Å
422E93.4Very high89.1Confident92 Ų9237.3 Ų37.343%0.4319%0.188SC..Hα-helixtrans-66.9-44.5177.2-68.2167.6-171.800112.6R418 M419 L420 L424 Q425 R481R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 3Å; M419-E422 PolarHBondContact O-N 2.73Å; L420-E422 VanDerWaalsContact C-N 3.32Å; L420-E422 PolarHBondContact O-N 2.64Å; E422-L424 VanDerWaalsContact C-N 3.29Å; E422-L424 PolarHBondContact O-N 3.03Å; E422-Q425 PolarHBondContact O-N 3.31Å; E422-R481 IonicContact OE2-CZ 3.21Å; E422-R481 IonicContact OE2-NH1 3.05Å; E422-R481 PolarHBondContact OE2-NH1 3.05Å; E422-R481 IonicContact OE2-NH2 3.34Å; E422-R481 PolarHBondContact OE2-NH2 3.48Å
423I95.9Very high87.2Confident37 Ų3738.7 Ų38.719%0.1920%0.202CC..Hα-helixtrans-62.4-39179.4-70.8169.1000111M419 L420 R481 I484 L488M419-I423 HydrophobicContact CG-CD1 3.77Å; M419-I423 HydrophobicContact CG-CG1 4.38Å; M419-I423 VanDerWaalsContact O-CG1 3.26Å; M419-I423 WeakPolarHBondContact O-CG1 3.03Å; M419-I423 PolarHBondContact O-N 3.38Å; M419-I423 HydrophobicContact SD-CD1 4.41Å; L420-I423 PolarHBondContact O-N 3.13Å; I423-R481 HydrophobicContact CD1-CG 4.11Å; I423-R481 HydrophobicContact CG1-CG 4.47Å; I423-I484 HydrophobicContact CD1-CB 4.25Å; I423-I484 HydrophobicContact CD1-CG2 3.87Å; I423-L488 HydrophobicContact CG2-CD1 3.49Å; I423-L488 VanDerWaalsContact CG2-CD1 3.49Å
424L95.1Very high85.9Confident16 Ų1640.5 Ų40.58%0.08421%0.214CC..THydrogen-bonded Turntrans-95.24.1-177.6-63.9172.5000113.4F302 L420 E422 V426 F441 W448 F451 L488F302-L424 HydrophobicContact CD2-CB 4.45Å; F302-L424 HydrophobicContact CE1-CD1 4.49Å; F302-L424 HydrophobicContact CE2-CB 4.33Å; F302-L424 HydrophobicContact CE2-CD2 4.24Å; F302-L424 HydrophobicContact CZ-CD1 4.25Å; F302-L424 HydrophobicContact CZ-CD2 4.36Å; L420-L424 WeakPolarHBondContact O-CB 3.07Å; L420-L424 PolarHBondContact O-N 3.27Å; E422-L424 VanDerWaalsContact C-N 3.29Å; E422-L424 PolarHBondContact O-N 3.03Å; L424-V426 VanDerWaalsContact C-N 3.3Å; L424-V426 HydrophobicContact CB-CG2 4.43Å; L424-V426 PolarHBondContact O-N 2.95Å; L424-F441 HydrophobicContact CD1-CE1 4.33Å; L424-F441 HydrophobicContact CD1-CE2 4.45Å; L424-F441 HydrophobicContact CD1-CZ 3.74Å; L424-F441 HydrophobicContact CD2-CE2 4.1Å; L424-F441 HydrophobicContact CD2-CZ 4.16Å; L424-W448 HydrophobicContact CD1-CE3 3.98Å; L424-W448 HydrophobicContact CD1-CZ3 3.65Å; L424-F451 HydrophobicContact CD1-CD1 4.09Å; L424-F451 HydrophobicContact CD1-CE1 3.75Å; L424-L488 HydrophobicContact CD2-CD1 4.42Å
425Q90.1Very high85.1Confident110 Ų11043.3 Ų43.351%0.51423%0.229SC..THydrogen-bonded Turntrans53.443.9176.8-59.9176.7-13.300113.2C421 E422 G427 E428C421-Q425 WeakPolarHBondContact O-CA 3.3Å; C421-Q425 PolarHBondContact O-N 2.93Å; E422-Q425 PolarHBondContact O-N 3.31Å; Q425-G427 PolarHBondContact O-N 3.42Å; Q425-E428 HydrophobicContact CB-CB 4.28Å; Q425-E428 HydrophobicContact CB-CG 4.01Å; Q425-E428 WeakPolarHBondContact O-CB 3.35Å; Q425-E428 PolarHBondContact O-N 3.1Å
426V87.6Confident84.5Confident13 Ų1345.2 Ų45.28%0.07924%0.241CC..THydrogen-bonded Turntrans-62.3124.6178.1177.30000110F302 L305 E306 M309 C421 L424 W448F302-V426 HydrophobicContact CB-CG2 4.3Å; L305-V426 HydrophobicContact CB-CG1 4.14Å; E306-V426 HydrophobicContact CB-CG1 4.38Å; M309-V426 HydrophobicContact CE-CG1 4.31Å; M309-V426 HydrophobicContact SD-CB 4.24Å; M309-V426 HydrophobicContact SD-CG1 4.02Å; C421-V426 HydrophobicContact CB-CB 4.13Å; C421-V426 HydrophobicContact CB-CG2 4.18Å; C421-V426 PolarHBondContact O-N 2.98Å; L424-V426 VanDerWaalsContact C-N 3.3Å; L424-V426 HydrophobicContact CB-CG2 4.43Å; L424-V426 PolarHBondContact O-N 2.95Å; V426-W448 HydrophobicContact CG2-CH2 4.27Å; V426-W448 HydrophobicContact CG2-CZ3 3.95Å
427G76.3Confident84.3Confident20 Ų2046.7 Ų46.721%0.20625%0.247CC..THydrogen-bonded Turntrans100.4-10-178.900000114.3N303 E306 Q425N303-G427 WeakPolarHBondContact OD1-CA 3.27Å; N303-G427 PolarHBondContact OD1-N 3.17Å; E306-G427 VanDerWaalsContact CD-CA 3.42Å; Q425-G427 PolarHBondContact O-N 3.42Å
428E77.7Confident84.2Confident116 Ų11648.1 Ų48.154%0.54225%0.253SS..PPolyproline II helixtrans-81.1145.2177.5-63.3-64.4161.200111.4V299 N303 Q425V299-E428 WeakPolarHBondContact CG1-O 3.33Å; N303-E428 PolarHBondContact ND2-O 3.18Å; Q425-E428 HydrophobicContact CB-CB 4.28Å; Q425-E428 HydrophobicContact CB-CG 4.01Å; Q425-E428 WeakPolarHBondContact O-CB 3.35Å; Q425-E428 PolarHBondContact O-N 3.1Å
429L72.8Confident84Confident123 Ų12347.5 Ų47.564%0.64425%0.254SS*.PPolyproline II helixtrans-75.7148.8176.1-69.4175000110.9N431L429-N431 PolarHBondContact O-N 3.1Å; L429-N431 PolarHBondContact O-OD1 3.36Å; L429-N431 VanDerWaalsContact O-OD1 3.14Å
430P72.3Confident83.9Confident25 Ų2547.5 Ų47.516%0.16225%0.254CS..PPolyproline II helixtrans-61.5135.2178.9-19.128.7000113.3Y295 V296 V299 L300Y295-P430 HydrophobicContact CE1-CB 4.23Å; V296-P430 HydrophobicContact CB-CB 4.26Å; V296-P430 HydrophobicContact CG1-CB 4.1Å; V296-P430 HydrophobicContact CG1-CG 3.98Å; V296-P430 HydrophobicContact CG2-CB 3.9Å; V299-P430 HydrophobicContact CB-CB 4.44Å; V299-P430 HydrophobicContact CB-CG 4.09Å; V299-P430 HydrophobicContact CG1-CB 4.34Å; V299-P430 HydrophobicContact CG1-CG 3.8Å; L300-P430 HydrophobicContact CD2-CG 4.05Å; L300-P430 HydrophobicContact CG-CG 4.2Å
431N68.8Low83.8Confident31 Ų3148.1 Ų48.117%0.16626%0.257CS..PPolyproline II helixtrans-85.4133.5-175.9-48.826.7000111.8H292 Y295 L429 G433 C434 E632H292-N431 PolarHBondContact CE1-O 3.31Å; H292-N431 VanDerWaalsContact CE1-O 3.27Å; Y295-N431 HydrophobicContact CE1-CB 4.42Å; Y295-N431 WeakPolarHBondContact OH-CB 3.29Å; Y295-N431 PolarHBondContact OH-N 3.2Å; Y295-N431 VanDerWaalsContact OH-N 3.11Å; Y295-N431 PolarHBondContact OH-OD1 3.09Å; L429-N431 PolarHBondContact O-N 3.1Å; L429-N431 PolarHBondContact O-OD1 3.36Å; L429-N431 VanDerWaalsContact O-OD1 3.14Å; N431-G433 PolarHBondContact O-N 3.18Å; N431-C434 HydrophobicContact CB-CB 4.16Å; N431-C434 PolarHBondContact O-N 3.28Å; N431-E632 VanDerWaalsContact CB-OE2 3.27Å; N431-E632 WeakPolarHBondContact CB-OE2 3.28Å; N431-E632 PolarHBondContact ND2-OE1 3.15Å; N431-E632 PolarHBondContact ND2-OE2 2.81Å
432E57.3Low83.7Confident95 Ų9548.4 Ų48.444%0.44426%0.257SS..THydrogen-bonded Turntrans-72.498.1178-62.3-177.1168.100110.3R564 N630E432-R564 IonicContact OE1-CZ 3.27Å; E432-R564 IonicContact OE1-NE 3.83Å; E432-R564 PolarHBondContact OE1-NE 3.09Å; E432-R564 IonicContact OE1-NH2 2.99Å; E432-R564 PolarHBondContact OE1-NH2 3.18Å; E432-N630 PolarHBondContact OE2-ND2 3.41Å
433G58.5Low83.7Confident29 Ų2945.8 Ų45.830%0.29925%0.247SC..THydrogen-bonded Turntrans118.5-3.5178.200000115.6N431N431-G433 PolarHBondContact O-N 3.18Å
434C71.9Confident83.4Confident37 Ų3747.3 Ų47.325%0.2525%0.254CS..  trans-79.4130.3169.6-173.80000110.5H292 Y295 N431H292-C434 PolarHBondContact ND1-O 3.41Å; Y295-C434 HydrophobicContact CD1-CB 3.93Å; Y295-C434 WeakPolarHBondContact CD1-O 3.49Å; Y295-C434 HydrophobicContact CD2-CB 4.42Å; Y295-C434 HydrophobicContact CE1-CB 3.57Å; Y295-C434 HydrophobicContact CE2-CB 4.08Å; Y295-C434 HydrophobicContact CG-CB 4.34Å; N431-C434 HydrophobicContact CB-CB 4.16Å; N431-C434 PolarHBondContact O-N 3.28Å
435N81.3Confident82.9Confident71 Ų7151.2 Ų51.238%0.3828%0.275SS..  trans-114.69179.1-59.7-22.9000111.7A291 H292A291-N435 HydrophobicContact CB-CB 4.03Å; H292-N435 WeakPolarHBondContact CB-OD1 3.45Å
436D85.8Confident82.8Confident91 Ų9148.6 Ų48.649%0.48726%0.26SS..  trans-98.2112.8-166.5-165.838.1000111.9Y295 K491Y295-D436 WeakPolarHBondContact CD2-O 3.44Å; D436-K491 WeakPolarHBondContact OD1-CE 3.32Å; D436-K491 IonicContact OD1-NZ 2.74Å; D436-K491 PolarHBondContact OD1-NZ 3.21Å; D436-K491 WeakPolarHBondContact OD2-CE 3.3Å; D436-K491 IonicContact OD2-NZ 3.47Å; D436-K491 PolarHBondContact OD2-NZ 3.36Å
437Y94.8Very high83.1Confident31 Ų3148.3 Ų48.312%0.12226%0.259CS..  trans-128.2166.6178.872.5-82000111.4I280 I286 A291 L294 P439 F442 K491I280-Y437 HydrophobicContact CD1-CE2 4.2Å; I280-Y437 HydrophobicContact CG1-CE2 4.37Å; I286-Y437 WeakPolarHBondContact CD1-OH 3.27Å; A291-Y437 HydrophobicContact CB-CE1 4.41Å; L294-Y437 HydrophobicContact CB-CD1 4.08Å; L294-Y437 HydrophobicContact CB-CD2 4.36Å; L294-Y437 HydrophobicContact CB-CE1 4.28Å; L294-Y437 HydrophobicContact CB-CG 4.13Å; L294-Y437 HydrophobicContact CD1-CE1 3.9Å; L294-Y437 HydrophobicContact CD1-CE2 4.03Å; Y437-P439 HydrophobicContact CD2-CG 4.33Å; Y437-P439 HydrophobicContact CE2-CB 4.27Å; Y437-P439 HydrophobicContact CE2-CG 3.83Å; Y437-P439 WeakPolarHBondContact O-CD 3.47Å; Y437-F442 HydrophobicContact CD2-CD2 4.35Å; Y437-F442 AromaticContact CD2-CE2 3.85Å; Y437-F442 HydrophobicContact CD2-CE2 3.85Å; Y437-F442 HydrophobicContact CE2-CE2 4.41Å; Y437-K491 PolarHBondContact O-NZ 3.38Å
438H96Very high84Confident31 Ų3147.9 Ų47.914%0.14425%0.251CS..  trans-109.2104-179.9-65.3-71.1000110.7Q298 M440 F441Q298-H438 PolarHBondContact NE2-O 2.9Å; H438-M440 PolarHBondContact O-N 3.14Å; H438-M440 VanDerWaalsContact O-N 3.16Å; H438-F441 HydrophobicContact CB-CD2 3.57Å; H438-F441 HydrophobicContact CB-CE2 3.83Å; H438-F441 PolarHBondContact O-N 2.93Å
439P95.3Very high84.9Confident22 Ų2242.8 Ų42.814%0.14323%0.227CC..G310 helixtrans-60.3-29.2-173.9-24.733.1000114.5I280 Y437 F441 F442I280-P439 HydrophobicContact CG2-CB 4.3Å; Y437-P439 HydrophobicContact CD2-CG 4.33Å; Y437-P439 HydrophobicContact CE2-CB 4.27Å; Y437-P439 HydrophobicContact CE2-CG 3.83Å; Y437-P439 WeakPolarHBondContact O-CD 3.47Å; P439-F441 PolarHBondContact O-N 2.7Å; P439-F442 WeakPolarHBondContact O-CA 3.33Å; P439-F442 WeakPolarHBondContact O-CB 3.38Å; P439-F442 PolarHBondContact O-N 3.31Å
440M96.3Very high86Confident1 Ų138 Ų381%0.00520%0.202CC..G310 helixtrans-59.7-28-179.867.1-179.8-168.800114.1H438 F442 T443 F451 L488 P492 L495 L498H438-M440 PolarHBondContact O-N 3.14Å; H438-M440 VanDerWaalsContact O-N 3.16Å; M440-F442 PolarHBondContact O-N 3.3Å; M440-T443 PolarHBondContact O-N 2.9Å; M440-T443 PolarHBondContact O-OG1 2.95Å; M440-F451 HydrophobicContact CE-CD2 3.83Å; M440-F451 HydrophobicContact CE-CE2 3.84Å; M440-L488 HydrophobicContact CE-CD2 3.34Å; M440-P492 HydrophobicContact SD-CB 4.44Å; M440-P492 HydrophobicContact SD-CG 3.69Å; M440-L495 HydrophobicContact SD-CD2 4.43Å; M440-L498 HydrophobicContact CE-CD2 4.08Å; M440-L498 HydrophobicContact SD-CB 3.97Å; M440-L498 HydrophobicContact SD-CD1 4.32Å; M440-L498 HydrophobicContact SD-CD2 3.88Å; M440-L498 HydrophobicContact SD-CG 4.27Å
441F95.7Very high87.3Confident14 Ų1436.9 Ų36.96%0.06119%0.194CC..G310 helixtrans-72.3-14.4176.2-66.5-81.4000112.6R272 F302 L424 H438 P439 T443 A447 F451R272-F441 PolarHBondContact NH1-O 2.65Å; F302-F441 AromaticContact CE1-CD1 3.74Å; F302-F441 HydrophobicContact CE1-CD1 3.74Å; F302-F441 HydrophobicContact CE1-CD2 4.39Å; F302-F441 AromaticContact CE1-CE1 3.95Å; F302-F441 HydrophobicContact CE1-CE1 3.95Å; F302-F441 AromaticContact CE1-CG 3.99Å; F302-F441 HydrophobicContact CE1-CG 3.99Å; F302-F441 HydrophobicContact CE1-CZ 4.34Å; F302-F441 HydrophobicContact CZ-CB 4.37Å; F302-F441 AromaticContact CZ-CD1 3.87Å; F302-F441 HydrophobicContact CZ-CD1 3.87Å; F302-F441 AromaticContact CZ-CD2 3.68Å; F302-F441 HydrophobicContact CZ-CD2 3.68Å; F302-F441 HydrophobicContact CZ-CE1 4.01Å; F302-F441 AromaticContact CZ-CE2 3.79Å; F302-F441 HydrophobicContact CZ-CE2 3.79Å; F302-F441 AromaticContact CZ-CG 3.71Å; F302-F441 HydrophobicContact CZ-CG 3.71Å; F302-F441 AromaticContact CZ-CZ 3.96Å; F302-F441 HydrophobicContact CZ-CZ 3.96Å; L424-F441 HydrophobicContact CD1-CE1 4.33Å; L424-F441 HydrophobicContact CD1-CE2 4.45Å; L424-F441 HydrophobicContact CD1-CZ 3.74Å; L424-F441 HydrophobicContact CD2-CE2 4.1Å; L424-F441 HydrophobicContact CD2-CZ 4.16Å; H438-F441 HydrophobicContact CB-CD2 3.57Å; H438-F441 HydrophobicContact CB-CE2 3.83Å; H438-F441 PolarHBondContact O-N 2.93Å; P439-F441 PolarHBondContact O-N 2.7Å; F441-T443 VanDerWaalsContact C-N 3.34Å; F441-A447 HydrophobicContact CB-CB 4.16Å; F441-A447 HydrophobicContact CD1-CB 3.7Å; F441-A447 HydrophobicContact CG-CB 4.34Å; F441-F451 HydrophobicContact CE1-CB 3.91Å; F441-F451 HydrophobicContact CE1-CD1 4.07Å; F441-F451 HydrophobicContact CE1-CG 4.04Å; F441-F451 HydrophobicContact CZ-CB 4.32Å; F441-F451 AromaticContact CZ-CD1 3.86Å; F441-F451 HydrophobicContact CZ-CD1 3.86Å; F441-F451 HydrophobicContact CZ-CD2 4.42Å; F441-F451 HydrophobicContact CZ-CE1 4.21Å; F441-F451 AromaticContact CZ-CG 3.96Å; F441-F451 HydrophobicContact CZ-CG 3.96Å
442F93.9Very high88.7Confident11 Ų1135.4 Ų35.45%0.04819%0.186CC..G310 helixtrans-89.36.8169.2-59.8-92.9000113R272 I275 L276 I280 L294 L297 Q298 Y437 P439 M440R272-F442 HydrophobicContact CG-CD1 4.16Å; R272-F442 PolarHBondContact NH1-O 2.94Å; I275-F442 HydrophobicContact CB-CD1 4.46Å; I275-F442 HydrophobicContact CG2-CD1 3.83Å; I275-F442 HydrophobicContact CG2-CE1 3.96Å; L276-F442 HydrophobicContact CD1-CB 4.36Å; L276-F442 WeakPolarHBondContact CD2-O 3.29Å; I280-F442 HydrophobicContact CD1-CB 3.43Å; I280-F442 VanDerWaalsContact CD1-CB 3.43Å; I280-F442 HydrophobicContact CD1-CD1 3.99Å; I280-F442 HydrophobicContact CD1-CD2 3.63Å; I280-F442 HydrophobicContact CD1-CE2 4.35Å; I280-F442 HydrophobicContact CD1-CG 3.41Å; I280-F442 VanDerWaalsContact CD1-CG 3.41Å; L294-F442 HydrophobicContact CD2-CE1 4.46Å; L294-F442 HydrophobicContact CD2-CZ 4.39Å; L297-F442 HydrophobicContact CD2-CE1 4.14Å; Q298-F442 HydrophobicContact CB-CE2 4.38Å; Q298-F442 HydrophobicContact CB-CZ 4.27Å; Y437-F442 HydrophobicContact CD2-CD2 4.35Å; Y437-F442 AromaticContact CD2-CE2 3.85Å; Y437-F442 HydrophobicContact CD2-CE2 3.85Å; Y437-F442 HydrophobicContact CE2-CE2 4.41Å; P439-F442 WeakPolarHBondContact O-CA 3.33Å; P439-F442 WeakPolarHBondContact O-CB 3.38Å; P439-F442 PolarHBondContact O-N 3.31Å; M440-F442 PolarHBondContact O-N 3.3Å
443T93.5Very high90.7Very high37 Ų3731 Ų3123%0.22717%0.166CC..THydrogen-bonded Turntrans-97.1-28.9172.170.70000117.6R272 L276 M440 F441 S493R272-T443 PolarHBondContact NH2-O 3.17Å; L276-T443 HydrophobicContact CD1-CG2 4.18Å; L276-T443 HydrophobicContact CD2-CG2 4.33Å; M440-T443 PolarHBondContact O-N 2.9Å; M440-T443 PolarHBondContact O-OG1 2.95Å; F441-T443 VanDerWaalsContact C-N 3.34Å; T443-S493 WeakPolarHBondContact CG2-O 3.17Å
444H89.9Confident92.6Very high70 Ų7030 Ų3032%0.32415%0.154SC..  trans-125.1141.5172.3-164.4-98000116.5R272 R446 A447 E450 L495R272-H444 PolarHBondContact NE-O 3.43Å; R272-H444 PolarHBondContact NH1-O 2.87Å; R272-H444 VanDerWaalsContact NH2-N 3.13Å; H444-R446 VanDerWaalsContact ND1-C 3.31Å; H444-R446 WeakPolarHBondContact ND1-CA 3.18Å; H444-R446 PolarHBondContact ND1-N 3.4Å; H444-R446 PolarHBondContact ND1-O 2.81Å; H444-R446 PolarHBondContact O-N 3.42Å; H444-A447 HydrophobicContact CB-CB 4.13Å; H444-A447 WeakPolarHBondContact O-CB 3.3Å; H444-A447 PolarHBondContact O-N 3.17Å; H444-E450 HydrophobicContact CB-CG 4.37Å; H444-E450 WeakPolarHBondContact ND1-CG 3.45Å; H444-L495 HydrophobicContact CB-CD1 3.86Å
445D84.7Confident93.9Very high97 Ų9728.2 Ų28.252%0.51914%0.142SC..THydrogen-bonded Turntrans-65.8-32.2-174.9-65.9-15.4000112.2R272R272-D445 VanDerWaalsContact CZ-N 3.3Å; R272-D445 IonicContact CZ-OD1 3.21Å; R272-D445 VanDerWaalsContact CZ-OD1 3.25Å; R272-D445 VanDerWaalsContact NE-CA 3.35Å; R272-D445 IonicContact NE-OD1 2.68Å; R272-D445 PolarHBondContact NE-OD1 3.19Å; R272-D445 VanDerWaalsContact NH2-N 3.16Å; R272-D445 IonicContact NH2-OD1 2.82Å; R272-D445 PolarHBondContact NH2-OD1 3.06Å
446R89Confident94.7Very high56 Ų5625 Ų2521%0.21112%0.124CC..THydrogen-bonded Turntrans-104.347.7170-58.2-54-61.3-124.7-6.1110.5Y382 H444 W448 E449 E450Y382-R446 HydrophobicContact CE2-CB 3.77Å; Y382-R446 HydrophobicContact CE2-CG 3.98Å; H444-R446 VanDerWaalsContact ND1-C 3.31Å; H444-R446 WeakPolarHBondContact ND1-CA 3.18Å; H444-R446 PolarHBondContact ND1-N 3.4Å; H444-R446 PolarHBondContact ND1-O 2.81Å; H444-R446 PolarHBondContact O-N 3.42Å; R446-W448 VanDerWaalsContact C-N 3.25Å; R446-W448 PolarHBondContact O-N 3.16Å; R446-E449 VanDerWaalsContact C-OE2 3.25Å; R446-E449 WeakPolarHBondContact CA-OE2 3.31Å; R446-E449 HydrophobicContact CB-CB 4.43Å; R446-E449 WeakPolarHBondContact CB-OE2 3.46Å; R446-E449 IonicContact CZ-OE1 3.47Å; R446-E449 IonicContact CZ-OE2 3.2Å; R446-E449 IonicContact NE-OE1 2.69Å; R446-E449 PolarHBondContact NE-OE1 3.37Å; R446-E449 IonicContact NE-OE2 3.62Å; R446-E449 PolarHBondContact NE-OE2 3.41Å; R446-E449 VanDerWaalsContact NH2-CD 3.26Å; R446-E449 IonicContact NH2-OE1 3.5Å; R446-E449 PolarHBondContact NH2-OE1 3.46Å; R446-E449 IonicContact NH2-OE2 3.26Å; R446-E449 PolarHBondContact O-N 3.1Å; R446-E450 WeakPolarHBondContact O-CG 3.26Å; R446-E450 PolarHBondContact O-N 3.21Å
447A92.6Very high95.2Very high6 Ų623.9 Ų23.95%0.0512%0.117CC..Hα-helixtrans-65.3-29.7-173.800000113F441 H444 F451F441-A447 HydrophobicContact CB-CB 4.16Å; F441-A447 HydrophobicContact CD1-CB 3.7Å; F441-A447 HydrophobicContact CG-CB 4.34Å; H444-A447 HydrophobicContact CB-CB 4.13Å; H444-A447 WeakPolarHBondContact O-CB 3.3Å; H444-A447 PolarHBondContact O-N 3.17Å; A447-F451 WeakPolarHBondContact O-CB 3.4Å; A447-F451 PolarHBondContact O-N 2.87Å
448W95.5Very high95.4Very high12 Ų1223 Ų235%0.04511%0.114CC..Hα-helixtrans-60-50.6172.4167.8-95.1000111.1L305 L375 N379 T417 L420 C421 L424 V426 R446 F451 F452L305-W448 HydrophobicContact CD1-CB 4.07Å; L305-W448 HydrophobicContact CD1-CD2 3.34Å; L305-W448 HydrophobicContact CD1-CE3 3.51Å; L305-W448 HydrophobicContact CD1-CG 3.55Å; L305-W448 HydrophobicContact CD1-CZ2 4.42Å; L305-W448 HydrophobicContact CD1-CZ3 4.1Å; L305-W448 HydrophobicContact CD2-CG 4.48Å; L375-W448 HydrophobicContact CD2-CZ2 3.85Å; L375-W448 HydrophobicContact CG-CZ2 4.47Å; N379-W448 PolarHBondContact OD1-NE1 3.02Å; T417-W448 HydrophobicContact CG2-CZ2 4.31Å; L420-W448 HydrophobicContact CB-CH2 3.77Å; L420-W448 HydrophobicContact CB-CZ2 4.41Å; L420-W448 HydrophobicContact CB-CZ3 4.28Å; C421-W448 HydrophobicContact CB-CH2 4.47Å; C421-W448 VanDerWaalsContact SG-CH2 3.54Å; L424-W448 HydrophobicContact CD1-CE3 3.98Å; L424-W448 HydrophobicContact CD1-CZ3 3.65Å; V426-W448 HydrophobicContact CG2-CH2 4.27Å; V426-W448 HydrophobicContact CG2-CZ3 3.95Å; R446-W448 VanDerWaalsContact C-N 3.25Å; R446-W448 PolarHBondContact O-N 3.16Å; W448-F451 WeakPolarHBondContact O-CB 3.43Å; W448-F451 PolarHBondContact O-N 2.97Å; W448-F452 PolarHBondContact O-N 2.96Å
449E96.3Very high95.5Very high8 Ų821.5 Ų21.54%0.03711%0.107CC..Hα-helixtrans-69.2-40.4-177.5-62.874.9-17000111.6Y382 R446 F451 F452 C453Y382-E449 HydrophobicContact CD1-CB 3.43Å; Y382-E449 VanDerWaalsContact CD1-CB 3.43Å; Y382-E449 HydrophobicContact CD1-CG 4.23Å; Y382-E449 HydrophobicContact CD2-CB 3.74Å; Y382-E449 HydrophobicContact CD2-CG 3.78Å; Y382-E449 HydrophobicContact CE1-CB 3.56Å; Y382-E449 HydrophobicContact CE2-CB 3.86Å; Y382-E449 HydrophobicContact CE2-CG 4.2Å; Y382-E449 HydrophobicContact CG-CB 3.51Å; Y382-E449 HydrophobicContact CG-CG 3.79Å; R446-E449 VanDerWaalsContact C-OE2 3.25Å; R446-E449 WeakPolarHBondContact CA-OE2 3.31Å; R446-E449 HydrophobicContact CB-CB 4.43Å; R446-E449 WeakPolarHBondContact CB-OE2 3.46Å; R446-E449 IonicContact CZ-OE1 3.47Å; R446-E449 IonicContact CZ-OE2 3.2Å; R446-E449 IonicContact NE-OE1 2.69Å; R446-E449 PolarHBondContact NE-OE1 3.37Å; R446-E449 IonicContact NE-OE2 3.62Å; R446-E449 PolarHBondContact NE-OE2 3.41Å; R446-E449 VanDerWaalsContact NH2-CD 3.26Å; R446-E449 IonicContact NH2-OE1 3.5Å; R446-E449 PolarHBondContact NH2-OE1 3.46Å; R446-E449 IonicContact NH2-OE2 3.26Å; R446-E449 PolarHBondContact O-N 3.1Å; E449-F451 VanDerWaalsContact C-N 3.29Å; E449-F451 PolarHBondContact O-N 3.22Å; E449-F452 WeakPolarHBondContact O-CB 2.91Å; E449-F452 PolarHBondContact O-N 3.39Å; E449-C453 PolarHBondContact O-N 3.05Å; E449-C453 PolarHBondContact O-SG 3.15Å
450E97.6Very high95.6Very high24 Ų2420.9 Ų20.911%0.11210%0.102CC..Hα-helixtrans-62.1-37.9172.8-70.8-59.6135.300112.3Y382 H387 H444 R446 C453 V454 L495Y382-E450 VanDerWaalsContact CE1-OE1 3.25Å; Y382-E450 WeakPolarHBondContact CE1-OE1 3.45Å; Y382-E450 PolarHBondContact OH-OE1 3.44Å; H387-E450 IonicContact CD2-OE1 2.66Å; H387-E450 IonicContact CE1-OE1 3.46Å; H387-E450 IonicContact CE1-OE2 3.58Å; H387-E450 IonicContact NE2-OE1 3.92Å; H387-E450 PolarHBondContact NE2-OE1 2.85Å; H387-E450 IonicContact NE2-OE2 3.59Å; H387-E450 PolarHBondContact NE2-OE2 3.46Å; H444-E450 HydrophobicContact CB-CG 4.37Å; H444-E450 WeakPolarHBondContact ND1-CG 3.45Å; R446-E450 WeakPolarHBondContact O-CG 3.26Å; R446-E450 PolarHBondContact O-N 3.21Å; E450-C453 WeakPolarHBondContact O-CB 3.17Å; E450-C453 PolarHBondContact O-N 3.39Å; E450-V454 WeakPolarHBondContact O-CG2 3.39Å; E450-V454 PolarHBondContact O-N 2.81Å; E450-L495 HydrophobicContact CB-CD1 3.52Å; E450-L495 HydrophobicContact CG-CD1 4.21Å
451F98.5Very high95.6Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-63.8-42.4174176.4-120.1000111.3L420 L424 M440 F441 A447 W448 E449 C453 V454 C455 I484 L488 L495 L498L420-F451 HydrophobicContact CB-CE1 4.44Å; L420-F451 HydrophobicContact CD1-CD1 3.97Å; L420-F451 HydrophobicContact CD1-CE1 3.98Å; L420-F451 HydrophobicContact CD2-CD1 4.38Å; L420-F451 HydrophobicContact CD2-CE1 3.56Å; L420-F451 HydrophobicContact CD2-CZ 3.94Å; L420-F451 HydrophobicContact CG-CE1 4.17Å; L424-F451 HydrophobicContact CD1-CD1 4.09Å; L424-F451 HydrophobicContact CD1-CE1 3.75Å; M440-F451 HydrophobicContact CE-CD2 3.83Å; M440-F451 HydrophobicContact CE-CE2 3.84Å; F441-F451 HydrophobicContact CE1-CB 3.91Å; F441-F451 HydrophobicContact CE1-CD1 4.07Å; F441-F451 HydrophobicContact CE1-CG 4.04Å; F441-F451 HydrophobicContact CZ-CB 4.32Å; F441-F451 AromaticContact CZ-CD1 3.86Å; F441-F451 HydrophobicContact CZ-CD1 3.86Å; F441-F451 HydrophobicContact CZ-CD2 4.42Å; F441-F451 HydrophobicContact CZ-CE1 4.21Å; F441-F451 AromaticContact CZ-CG 3.96Å; F441-F451 HydrophobicContact CZ-CG 3.96Å; A447-F451 WeakPolarHBondContact O-CB 3.4Å; A447-F451 PolarHBondContact O-N 2.87Å; W448-F451 WeakPolarHBondContact O-CB 3.43Å; W448-F451 PolarHBondContact O-N 2.97Å; E449-F451 VanDerWaalsContact C-N 3.29Å; E449-F451 PolarHBondContact O-N 3.22Å; F451-C453 PolarHBondContact O-N 2.9Å; F451-V454 PolarHBondContact O-N 3.31Å; F451-C455 VanDerWaalsContact CE2-SG 3.58Å; F451-C455 PolarHBondContact O-N 3.43Å; F451-C455 PolarHBondContact O-SG 3.29Å; F451-I484 HydrophobicContact CE2-CG2 4.44Å; F451-I484 HydrophobicContact CZ-CG2 3.82Å; F451-L488 HydrophobicContact CE2-CD2 4.37Å; F451-L488 HydrophobicContact CZ-CD1 4.38Å; F451-L488 HydrophobicContact CZ-CD2 4.39Å; F451-L495 HydrophobicContact CB-CD2 4.16Å; F451-L498 HydrophobicContact CD2-CD2 3.44Å; F451-L498 VanDerWaalsContact CD2-CD2 3.44Å; F451-L498 HydrophobicContact CE2-CD2 3.58Å
452F98.7Very high95.7Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-58.2-46.4170.8170.1-93000111.8N379 L383 A413 L416 L420 W448 E449 V454 C455 I456N379-F452 HydrophobicContact CB-CD1 3.76Å; N379-F452 HydrophobicContact CB-CD2 4.02Å; N379-F452 HydrophobicContact CB-CE1 3.8Å; N379-F452 HydrophobicContact CB-CE2 4.05Å; N379-F452 HydrophobicContact CB-CG 3.87Å; N379-F452 HydrophobicContact CB-CZ 3.95Å; L383-F452 HydrophobicContact CB-CE1 4.4Å; L383-F452 HydrophobicContact CD2-CE1 4.44Å; A413-F452 HydrophobicContact CB-CE2 4.43Å; A413-F452 HydrophobicContact CB-CZ 3.99Å; L416-F452 HydrophobicContact CB-CE2 4.5Å; L416-F452 HydrophobicContact CD2-CD2 4.02Å; L416-F452 HydrophobicContact CD2-CE2 3.94Å; L416-F452 HydrophobicContact CG-CD2 4.33Å; L416-F452 HydrophobicContact CG-CE2 4.33Å; L420-F452 HydrophobicContact CD1-CB 4.21Å; L420-F452 HydrophobicContact CD1-CD2 4.33Å; W448-F452 PolarHBondContact O-N 2.96Å; E449-F452 WeakPolarHBondContact O-CB 2.91Å; E449-F452 PolarHBondContact O-N 3.39Å; F452-V454 VanDerWaalsContact C-N 3.28Å; F452-V454 PolarHBondContact O-N 3.12Å; F452-C455 PolarHBondContact O-N 3.23Å; F452-I456 HydrophobicContact CE1-CB 4.49Å; F452-I456 HydrophobicContact CE1-CG2 4.39Å; F452-I456 HydrophobicContact CZ-CB 4.38Å; F452-I456 PolarHBondContact O-N 3.35Å
453C98.5Very high95.9Very high2 Ų223.2 Ų23.21%0.01411%0.112CC..Hα-helixtrans-59.2-36.3177.8-69.40000112.8L383 E449 E450 F451 I456 Q457L383-C453 HydrophobicContact CD1-CB 4.08Å; L383-C453 VanDerWaalsContact CD1-SG 3.52Å; E449-C453 PolarHBondContact O-N 3.05Å; E449-C453 PolarHBondContact O-SG 3.15Å; E450-C453 WeakPolarHBondContact O-CB 3.17Å; E450-C453 PolarHBondContact O-N 3.39Å; F451-C453 PolarHBondContact O-N 2.9Å; C453-I456 WeakPolarHBondContact O-CG2 3.37Å; C453-Q457 WeakPolarHBondContact O-CG 3.45Å; C453-Q457 PolarHBondContact O-NE2 2.87Å
454V98.5Very high96Very high8 Ų825.1 Ų25.15%0.04812%0.118CC..Hα-helixtrans-69-44.9173.31730000110.7E450 F451 F452 Q457 L458 L498 K499 L502E450-V454 WeakPolarHBondContact O-CG2 3.39Å; E450-V454 PolarHBondContact O-N 2.81Å; F451-V454 PolarHBondContact O-N 3.31Å; F452-V454 VanDerWaalsContact C-N 3.28Å; F452-V454 PolarHBondContact O-N 3.12Å; V454-Q457 PolarHBondContact O-N 3.4Å; V454-L458 PolarHBondContact O-N 2.8Å; V454-L498 HydrophobicContact CG1-CD2 4.13Å; V454-K499 HydrophobicContact CB-CG 4.44Å; V454-K499 HydrophobicContact CG1-CG 3.81Å; V454-K499 HydrophobicContact CG2-CD 4.15Å; V454-K499 VanDerWaalsContact CG2-CE 3.4Å; V454-K499 HydrophobicContact CG2-CG 3.7Å; V454-L502 HydrophobicContact CG1-CD1 3.61Å
455C98.7Very high96.3Very high0 Ų025.2 Ų25.20%012%0.118CC..Hα-helixtrans-70.8-33.4-175.7-64.60000113.1L416 L420 F451 F452 Q457 L458 L459 I484L416-C455 HydrophobicContact CD1-CB 3.94Å; L416-C455 HydrophobicContact CD2-CB 3.82Å; L416-C455 HydrophobicContact CG-CB 4.34Å; L420-C455 HydrophobicContact CD1-CB 4.34Å; L420-C455 HydrophobicContact CD2-CB 4.42Å; F451-C455 VanDerWaalsContact CE2-SG 3.58Å; F451-C455 PolarHBondContact O-N 3.43Å; F451-C455 PolarHBondContact O-SG 3.29Å; F452-C455 PolarHBondContact O-N 3.23Å; C455-Q457 VanDerWaalsContact C-N 3.35Å; C455-L458 WeakPolarHBondContact O-CB 3.4Å; C455-L458 PolarHBondContact O-N 2.79Å; C455-L459 WeakPolarHBondContact O-CB 3.44Å; C455-L459 PolarHBondContact O-N 3.48Å; C455-I484 HydrophobicContact CB-CD1 4.06Å
456I98.4Very high96.8Very high3 Ų322.3 Ų22.32%0.01510%0.102CC..Hα-helixtrans-71.4-32.4177.2-165.462.2000111.8L383 I394 F409 C412 L416 F452 C453 L459 N460L383-I456 HydrophobicContact CD1-CG2 4.39Å; L383-I456 HydrophobicContact CD2-CG2 4Å; I394-I456 HydrophobicContact CD1-CG2 4.31Å; F409-I456 HydrophobicContact CD2-CG1 4.48Å; F409-I456 HydrophobicContact CE2-CG1 4.18Å; C412-I456 HydrophobicContact CB-CD1 4.37Å; L416-I456 HydrophobicContact CD2-CB 3.82Å; L416-I456 HydrophobicContact CD2-CD1 3.92Å; L416-I456 HydrophobicContact CD2-CG1 4.47Å; F452-I456 HydrophobicContact CE1-CB 4.49Å; F452-I456 HydrophobicContact CE1-CG2 4.39Å; F452-I456 HydrophobicContact CZ-CB 4.38Å; F452-I456 PolarHBondContact O-N 3.35Å; C453-I456 WeakPolarHBondContact O-CG2 3.37Å; I456-L459 HydrophobicContact CD1-CD1 4.28Å; I456-L459 PolarHBondContact O-N 3.45Å; I456-N460 PolarHBondContact O-N 3.32Å
457Q97.9Very high97Very high69 Ų6929.4 Ų29.432%0.32213%0.129SC..Hα-helixtrans-68.4-42.1171.4-72.9178.479.500111.6T390 I394 C453 V454 C455 L459 N460 K461T390-Q457 HydrophobicContact CG2-CG 3.68Å; I394-Q457 HydrophobicContact CD1-CG 4.1Å; C453-Q457 WeakPolarHBondContact O-CG 3.45Å; C453-Q457 PolarHBondContact O-NE2 2.87Å; V454-Q457 PolarHBondContact O-N 3.4Å; C455-Q457 VanDerWaalsContact C-N 3.35Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-N460 PolarHBondContact O-N 3.3Å; Q457-K461 WeakPolarHBondContact O-CB 3.45Å; Q457-K461 PolarHBondContact O-N 3.45Å
458L98.4Very high97.1Very high11 Ų1129.1 Ų29.16%0.05813%0.126CC..Hα-helixtrans-57.7-48.1171.6172.770000110.8V454 C455 N460 K461 T462 V480 Q483 I484 L502V454-L458 PolarHBondContact O-N 2.8Å; C455-L458 WeakPolarHBondContact O-CB 3.4Å; C455-L458 PolarHBondContact O-N 2.79Å; L458-N460 PolarHBondContact O-N 3.36Å; L458-K461 WeakPolarHBondContact O-CB 3.48Å; L458-K461 PolarHBondContact O-N 3.45Å; L458-K461 VanDerWaalsContact O-N 3.16Å; L458-T462 WeakPolarHBondContact O-CB 3.34Å; L458-T462 PolarHBondContact O-N 2.65Å; L458-T462 PolarHBondContact O-OG1 2.98Å; L458-V480 HydrophobicContact CD2-CG1 4.33Å; L458-Q483 HydrophobicContact CD2-CB 4.02Å; L458-I484 HydrophobicContact CD2-CG1 3.92Å; L458-L502 HydrophobicContact CD1-CB 4.42Å; L458-L502 HydrophobicContact CD1-CD2 4.48Å; L458-L502 HydrophobicContact CD2-CD1 4.13Å; L458-L502 HydrophobicContact CD2-CD2 3.67Å; L458-L502 HydrophobicContact CD2-CG 4.4Å
459L98.5Very high97Very high1 Ų129.9 Ų29.91%0.00513%0.132CC..Hα-helixtrans-57.1-50.6179.4-173.2163.5000111.1C412 L416 C455 I456 Q457 K461 T462 W463 M477 V480C412-L459 HydrophobicContact CB-CD1 3.93Å; C412-L459 HydrophobicContact CB-CD2 3.84Å; L416-L459 HydrophobicContact CB-CD1 4.16Å; L416-L459 HydrophobicContact CD2-CD1 4.4Å; C455-L459 WeakPolarHBondContact O-CB 3.44Å; C455-L459 PolarHBondContact O-N 3.48Å; I456-L459 HydrophobicContact CD1-CD1 4.28Å; I456-L459 PolarHBondContact O-N 3.45Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; L459-K461 VanDerWaalsContact C-N 3.29Å; L459-K461 PolarHBondContact O-N 3.46Å; L459-T462 PolarHBondContact O-N 3.34Å; L459-W463 WeakPolarHBondContact O-CB 3.38Å; L459-W463 PolarHBondContact O-N 3.14Å; L459-M477 HydrophobicContact CD1-CE 3.93Å; L459-M477 HydrophobicContact CD1-SD 3.55Å; L459-M477 VanDerWaalsContact CD1-SD 3.55Å; L459-M477 HydrophobicContact CG-SD 4.27Å; L459-V480 HydrophobicContact CB-CG1 4.46Å; L459-V480 HydrophobicContact CB-CG2 4.26Å; L459-V480 HydrophobicContact CG-CG2 4.27Å
460N96.7Very high96.8Very high8 Ų832.4 Ų32.44%0.04316%0.155CC..Hα-helixtrans-62.3-36.5178.4-172.351.6000112E397 N398 I456 Q457 L458 K464E397-N460 PolarHBondContact OE2-ND2 3.11Å; N398-N460 PolarHBondContact ND2-OD1 3.25Å; I456-N460 PolarHBondContact O-N 3.32Å; Q457-N460 PolarHBondContact O-N 3.3Å; L458-N460 PolarHBondContact O-N 3.36Å; N460-K464 WeakPolarHBondContact O-CG 3.34Å; N460-K464 PolarHBondContact O-N 2.92Å
461K97Very high96.6Very high74 Ų7439.7 Ų39.732%0.32219%0.189SC..Hα-helixtrans-63.8-52.9173.4177.3-175.1166.1-172.70111.2Q457 L458 L459 W463 K464 E465Q457-K461 WeakPolarHBondContact O-CB 3.45Å; Q457-K461 PolarHBondContact O-N 3.45Å; L458-K461 WeakPolarHBondContact O-CB 3.48Å; L458-K461 PolarHBondContact O-N 3.45Å; L458-K461 VanDerWaalsContact O-N 3.16Å; L459-K461 VanDerWaalsContact C-N 3.29Å; L459-K461 PolarHBondContact O-N 3.46Å; K461-W463 VanDerWaalsContact C-N 3.32Å; K461-W463 PolarHBondContact O-N 3.45Å; K461-K464 PolarHBondContact O-N 3.17Å; K461-K464 VanDerWaalsContact O-N 3.14Å; K461-E465 WeakPolarHBondContact CE-OE1 3.35Å; K461-E465 HydrophobicContact CG-CG 4.42Å; K461-E465 IonicContact NZ-OE1 2.6Å; K461-E465 WeakPolarHBondContact O-CG 3.39Å; K461-E465 PolarHBondContact O-N 2.78Å
462T97.9Very high96.3Very high0 Ų041.6 Ų41.60%020%0.199CC..Hα-helixtrans-61.6-40-178.9-61.70000111.3L458 L459 K464 E465 M466 V476 V479 V480 Q483L458-T462 WeakPolarHBondContact O-CB 3.34Å; L458-T462 PolarHBondContact O-N 2.65Å; L458-T462 PolarHBondContact O-OG1 2.98Å; L459-T462 PolarHBondContact O-N 3.34Å; T462-K464 VanDerWaalsContact C-N 3.31Å; T462-K464 PolarHBondContact O-N 3.23Å; T462-E465 PolarHBondContact O-N 2.85Å; T462-M466 HydrophobicContact CG2-CG 4.33Å; T462-M466 HydrophobicContact CG2-SD 3.84Å; T462-M466 WeakPolarHBondContact O-CB 3.35Å; T462-M466 VanDerWaalsContact O-CG 3.28Å; T462-M466 WeakPolarHBondContact O-CG 3.3Å; T462-M466 PolarHBondContact O-N 2.93Å; T462-V476 HydrophobicContact CG2-CG1 4.37Å; T462-V479 HydrophobicContact CG2-CB 4.25Å; T462-V479 HydrophobicContact CG2-CG1 3.65Å; T462-V480 HydrophobicContact CG2-CG2 4.06Å; T462-Q483 PolarHBondContact OG1-NE2 2.79Å; T462-Q483 VanDerWaalsContact OG1-NE2 3.13Å; T462-Q483 PolarHBondContact OG1-OE1 2.92Å
463W97.1Very high96.1Very high1 Ų141.7 Ų41.70%0.00420%0.199CC..Hα-helixtrans-54.6-46.3173.7-173.9-79.4000112H405 E406 C407 L459 K461 M466 R467 A468 T469 F473 V476H405-W463 PolarHBondContact O-NE1 2.94Å; E406-W463 WeakPolarHBondContact O-CZ2 3.2Å; C407-W463 HydrophobicContact CB-CB 4.5Å; C407-W463 HydrophobicContact CB-CD2 3.87Å; C407-W463 HydrophobicContact CB-CG 3.8Å; L459-W463 WeakPolarHBondContact O-CB 3.38Å; L459-W463 PolarHBondContact O-N 3.14Å; K461-W463 VanDerWaalsContact C-N 3.32Å; K461-W463 PolarHBondContact O-N 3.45Å; W463-M466 PolarHBondContact O-N 2.96Å; W463-R467 PolarHBondContact O-N 3.41Å; W463-A468 HydrophobicContact CD2-CB 3.85Å; W463-A468 HydrophobicContact CE3-CB 4.29Å; W463-A468 HydrophobicContact CG-CB 4.12Å; W463-A468 HydrophobicContact CZ2-CB 4.24Å; W463-A468 PolarHBondContact NE1-O 3.12Å; W463-A468 PolarHBondContact O-N 2.96Å; W463-A468 VanDerWaalsContact O-N 3.07Å; W463-T469 WeakPolarHBondContact CH2-O 3.4Å; W463-F473 HydrophobicContact CH2-CB 4.38Å; W463-F473 HydrophobicContact CH2-CD2 4.17Å; W463-F473 HydrophobicContact CZ3-CB 4.31Å; W463-F473 AromaticContact CZ3-CD2 3.8Å; W463-F473 HydrophobicContact CZ3-CD2 3.8Å; W463-F473 HydrophobicContact CZ3-CG 4.45Å; W463-V476 HydrophobicContact CB-CG1 4.36Å; W463-V476 HydrophobicContact CD2-CG2 4.48Å; W463-V476 HydrophobicContact CE3-CB 4.1Å; W463-V476 HydrophobicContact CE3-CG1 3.92Å; W463-V476 HydrophobicContact CE3-CG2 3.89Å; W463-V476 HydrophobicContact CZ3-CB 4.44Å; W463-V476 HydrophobicContact CZ3-CG2 4.22Å
464K95.1Very high95.9Very high78 Ų7846.7 Ų46.734%0.33923%0.226SC..Hα-helixtrans-69.3-42.4177.8-68.4174.9-173.6-1740112.4E397 N460 K461 T462 M466 R467E397-K464 IonicContact OE2-NZ 3.3Å; E397-K464 PolarHBondContact OE2-NZ 3.48Å; N460-K464 WeakPolarHBondContact O-CG 3.34Å; N460-K464 PolarHBondContact O-N 2.92Å; K461-K464 PolarHBondContact O-N 3.17Å; K461-K464 VanDerWaalsContact O-N 3.14Å; T462-K464 VanDerWaalsContact C-N 3.31Å; T462-K464 PolarHBondContact O-N 3.23Å; K464-M466 PolarHBondContact O-N 3.21Å; K464-R467 PolarHBondContact O-N 3.41Å
465E96.3Very high95.7Very high71 Ų7151.9 Ų51.933%0.33225%0.248SC..Hα-helixtrans-60-36.8176.2-71.6-179.3165.400111.8K461 T462 R467 Y507K461-E465 WeakPolarHBondContact CE-OE1 3.35Å; K461-E465 HydrophobicContact CG-CG 4.42Å; K461-E465 IonicContact NZ-OE1 2.6Å; K461-E465 WeakPolarHBondContact O-CG 3.39Å; K461-E465 PolarHBondContact O-N 2.78Å; T462-E465 PolarHBondContact O-N 2.85Å; E465-R467 VanDerWaalsContact C-N 3.28Å; E465-R467 PolarHBondContact O-N 3.42Å; E465-Y507 HydrophobicContact CB-CD1 4.49Å; E465-Y507 WeakPolarHBondContact OE2-CB 3.37Å; E465-Y507 PolarHBondContact OE2-N 3.4Å
466M95.9Very high95.6Very high37 Ų3751.9 Ų51.918%0.18225%0.248CC..THydrogen-bonded Turntrans-77.8-10.7176.1-69.2-179.765.400113.5T462 W463 K464 A468 K475 V476 V479 Y507T462-M466 HydrophobicContact CG2-CG 4.33Å; T462-M466 HydrophobicContact CG2-SD 3.84Å; T462-M466 WeakPolarHBondContact O-CB 3.35Å; T462-M466 VanDerWaalsContact O-CG 3.28Å; T462-M466 WeakPolarHBondContact O-CG 3.3Å; T462-M466 PolarHBondContact O-N 2.93Å; W463-M466 PolarHBondContact O-N 2.96Å; K464-M466 PolarHBondContact O-N 3.21Å; M466-A468 HydrophobicContact CB-CB 4.16Å; M466-A468 PolarHBondContact O-N 2.77Å; M466-K475 HydrophobicContact CE-CB 4.39Å; M466-V476 HydrophobicContact CE-CG2 3.86Å; M466-V476 HydrophobicContact SD-CB 4.19Å; M466-V476 HydrophobicContact SD-CG1 4.31Å; M466-V476 HydrophobicContact SD-CG2 3.76Å; M466-V479 HydrophobicContact CE-CG2 4.26Å; M466-V479 HydrophobicContact SD-CB 4.24Å; M466-V479 HydrophobicContact SD-CG1 4.46Å; M466-V479 HydrophobicContact SD-CG2 4.02Å; M466-Y507 HydrophobicContact CB-CE1 4.45Å; M466-Y507 HydrophobicContact CE-CE2 4.13Å; M466-Y507 HydrophobicContact CG-CD1 3.72Å; M466-Y507 HydrophobicContact CG-CD2 3.57Å; M466-Y507 HydrophobicContact CG-CE1 3.78Å; M466-Y507 HydrophobicContact CG-CE2 3.63Å; M466-Y507 HydrophobicContact CG-CG 3.61Å; M466-Y507 HydrophobicContact SD-CD2 3.99Å; M466-Y507 HydrophobicContact SD-CE2 3.95Å
467R94.1Very high95.6Very high204 Ų20452.2 Ų52.277%0.7725%0.249SC*.THydrogen-bonded Turntrans46.543.3-166.9-57.2-178180-172.1-0.5110.9H405 W463 K464 E465H405-R467 PolarHBondContact CE1-O 3.28Å; H405-R467 PolarHBondContact ND1-O 2.88Å; W463-R467 PolarHBondContact O-N 3.41Å; K464-R467 PolarHBondContact O-N 3.41Å; E465-R467 VanDerWaalsContact C-N 3.28Å; E465-R467 PolarHBondContact O-N 3.42Å
468A93.8Very high95.5Very high0 Ų055 Ų550%026%0.262CS..  trans-68.3157.6-171.200000112.1H405 W463 M466 D472 V476H405-A468 WeakPolarHBondContact CA-O 3.31Å; H405-A468 PolarHBondContact ND1-O 3.31Å; W463-A468 HydrophobicContact CD2-CB 3.85Å; W463-A468 HydrophobicContact CE3-CB 4.29Å; W463-A468 HydrophobicContact CG-CB 4.12Å; W463-A468 HydrophobicContact CZ2-CB 4.24Å; W463-A468 PolarHBondContact NE1-O 3.12Å; W463-A468 PolarHBondContact O-N 2.96Å; W463-A468 VanDerWaalsContact O-N 3.07Å; M466-A468 HydrophobicContact CB-CB 4.16Å; M466-A468 PolarHBondContact O-N 2.77Å; A468-D472 HydrophobicContact CB-CB 4.09Å; A468-V476 HydrophobicContact CB-CG2 3.44Å; A468-V476 VanDerWaalsContact CB-CG2 3.44Å
469T93.9Very high95.5Very high29 Ų2954.6 Ų54.618%0.17826%0.26CS..  trans-118.3175.5167.767.90000109.9K404 W463 E471 D472K404-T469 HydrophobicContact CB-CG2 4.08Å; K404-T469 WeakPolarHBondContact O-CA 3.43Å; K404-T469 WeakPolarHBondContact O-CB 3.44Å; K404-T469 WeakPolarHBondContact O-CG2 3.47Å; W463-T469 WeakPolarHBondContact CH2-O 3.4Å; T469-E471 PolarHBondContact O-N 3.34Å; T469-E471 VanDerWaalsContact O-N 3.08Å; T469-E471 PolarHBondContact OG1-N 2.77Å; T469-D472 PolarHBondContact N-OD2 3.04Å; T469-D472 PolarHBondContact O-N 3Å; T469-D472 PolarHBondContact OG1-OD2 2.89Å
470A91Very high95.5Very high61 Ų6154.6 Ų54.650%0.50426%0.26SS..G310 helixtrans-55.2-26.4176.300000114.1F473A470-F473 WeakPolarHBondContact O-CB 3.46Å
471E92.8Very high95.6Very high177 Ų17757.9 Ų57.983%0.82727%0.272SS*.G310 helixtrans-73.6-27.8177.2-64.3178.4-170.500112.6T469 F473T469-E471 PolarHBondContact O-N 3.34Å; T469-E471 VanDerWaalsContact O-N 3.08Å; T469-E471 PolarHBondContact OG1-N 2.77Å; E471-F473 VanDerWaalsContact C-N 3.29Å; E471-F473 PolarHBondContact O-N 3.44Å
472D93.1Very high95.6Very high40 Ų4056.3 Ų56.321%0.21427%0.266CS..G310 helixtrans-86.80.5179.7-63.8-59.1000113.2A468 T469 N474 K475 V476A468-D472 HydrophobicContact CB-CB 4.09Å; T469-D472 PolarHBondContact N-OD2 3.04Å; T469-D472 PolarHBondContact O-N 3Å; T469-D472 PolarHBondContact OG1-OD2 2.89Å; D472-N474 VanDerWaalsContact C-N 3.31Å; D472-N474 PolarHBondContact O-N 3.44Å; D472-N474 VanDerWaalsContact O-N 3.16Å; D472-K475 WeakPolarHBondContact O-CA 3.43Å; D472-K475 WeakPolarHBondContact O-CB 3.41Å; D472-K475 PolarHBondContact O-N 3.43Å; D472-K475 IonicContact OD1-NZ 3.35Å; D472-K475 PolarHBondContact OD1-NZ 3.25Å; D472-V476 PolarHBondContact O-N 3.05Å
473F95.6Very high95.6Very high2 Ų256.3 Ų56.31%0.00927%0.266CS..Hα-helixtrans-45.4-52.5-174.2-179.3-87.9000112.8P408 R411 C412 E415 W463 A470 E471 K475 V476 M477P408-F473 HydrophobicContact CG-CD2 4.28Å; P408-F473 HydrophobicContact CG-CE2 4.34Å; R411-F473 HydrophobicContact CB-CE2 4.27Å; R411-F473 HydrophobicContact CG-CE1 4.41Å; R411-F473 HydrophobicContact CG-CE2 3.72Å; R411-F473 HydrophobicContact CG-CZ 3.66Å; C412-F473 VanDerWaalsContact SG-CE2 3.55Å; E415-F473 HydrophobicContact CB-CE1 4.14Å; E415-F473 HydrophobicContact CB-CZ 3.79Å; E415-F473 HydrophobicContact CG-CE1 3.91Å; E415-F473 HydrophobicContact CG-CZ 4.06Å; W463-F473 HydrophobicContact CH2-CB 4.38Å; W463-F473 HydrophobicContact CH2-CD2 4.17Å; W463-F473 HydrophobicContact CZ3-CB 4.31Å; W463-F473 AromaticContact CZ3-CD2 3.8Å; W463-F473 HydrophobicContact CZ3-CD2 3.8Å; W463-F473 HydrophobicContact CZ3-CG 4.45Å; A470-F473 WeakPolarHBondContact O-CB 3.46Å; E471-F473 VanDerWaalsContact C-N 3.29Å; E471-F473 PolarHBondContact O-N 3.44Å; F473-K475 VanDerWaalsContact C-N 3.31Å; F473-K475 PolarHBondContact O-N 3.22Å; F473-V476 PolarHBondContact O-N 2.87Å; F473-M477 HydrophobicContact CD1-CG 4.18Å; F473-M477 HydrophobicContact CE1-CG 3.84Å; F473-M477 HydrophobicContact CZ-CG 4.11Å; F473-M477 HydrophobicContact CZ-SD 4.43Å; F473-M477 WeakPolarHBondContact O-CG 3.44Å; F473-M477 PolarHBondContact O-N 3.36Å
474N93.3Very high95.7Very high106 Ų10656.3 Ų56.357%0.56727%0.266SS*.Hα-helixtrans-63.2-36.2-178.8-66.9-25.6000112.5D472 M477 Q478D472-N474 VanDerWaalsContact C-N 3.31Å; D472-N474 PolarHBondContact O-N 3.44Å; D472-N474 VanDerWaalsContact O-N 3.16Å; N474-M477 PolarHBondContact O-N 3.36Å; N474-Q478 WeakPolarHBondContact O-CG 3.25Å; N474-Q478 PolarHBondContact O-N 2.85Å
475K94Very high95.8Very high118 Ų11856 Ų5651%0.51327%0.271SS..Hα-helixtrans-68.5-41.8177.7-59.1176.2-166153.40110.9M466 D472 F473 M477 Q478 V479M466-K475 HydrophobicContact CE-CB 4.39Å; D472-K475 WeakPolarHBondContact O-CA 3.43Å; D472-K475 WeakPolarHBondContact O-CB 3.41Å; D472-K475 PolarHBondContact O-N 3.43Å; D472-K475 IonicContact OD1-NZ 3.35Å; D472-K475 PolarHBondContact OD1-NZ 3.25Å; F473-K475 VanDerWaalsContact C-N 3.31Å; F473-K475 PolarHBondContact O-N 3.22Å; K475-M477 VanDerWaalsContact C-N 3.32Å; K475-Q478 PolarHBondContact O-N 3.47Å; K475-V479 WeakPolarHBondContact O-CG2 3.46Å; K475-V479 PolarHBondContact O-N 3.43Å
476V97.7Very high95.8Very high0 Ų056.3 Ų56.30%027%0.269CS..Hα-helixtrans-60-46.9175.4-1800000109.7T462 W463 M466 A468 D472 F473 Q478 V479 V480T462-V476 HydrophobicContact CG2-CG1 4.37Å; W463-V476 HydrophobicContact CB-CG1 4.36Å; W463-V476 HydrophobicContact CD2-CG2 4.48Å; W463-V476 HydrophobicContact CE3-CB 4.1Å; W463-V476 HydrophobicContact CE3-CG1 3.92Å; W463-V476 HydrophobicContact CE3-CG2 3.89Å; W463-V476 HydrophobicContact CZ3-CB 4.44Å; W463-V476 HydrophobicContact CZ3-CG2 4.22Å; M466-V476 HydrophobicContact CE-CG2 3.86Å; M466-V476 HydrophobicContact SD-CB 4.19Å; M466-V476 HydrophobicContact SD-CG1 4.31Å; M466-V476 HydrophobicContact SD-CG2 3.76Å; A468-V476 HydrophobicContact CB-CG2 3.44Å; A468-V476 VanDerWaalsContact CB-CG2 3.44Å; D472-V476 PolarHBondContact O-N 3.05Å; F473-V476 PolarHBondContact O-N 2.87Å; V476-Q478 VanDerWaalsContact C-N 3.31Å; V476-Q478 PolarHBondContact O-N 3.35Å; V476-V479 PolarHBondContact O-N 3.38Å; V476-V479 VanDerWaalsContact O-N 3.15Å; V476-V480 HydrophobicContact CG1-CG2 4.26Å; V476-V480 WeakPolarHBondContact O-CG2 3.5Å; V476-V480 PolarHBondContact O-N 2.87Å
477M97.7Very high95.9Very high10 Ų1054.5 Ų54.55%0.04926%0.26CS..Hα-helixtrans-60.1-39.5177.4-65.9-50.7-68.900112.4E415 L416 M419 L459 F473 N474 K475 V480 R481E415-M477 HydrophobicContact CB-CE 3.8Å; E415-M477 HydrophobicContact CG-CE 3.53Å; E415-M477 HydrophobicContact CG-CG 3.96Å; E415-M477 HydrophobicContact CG-SD 4.3Å; L416-M477 HydrophobicContact CB-CE 4.24Å; M419-M477 HydrophobicContact CE-CB 3.74Å; M419-M477 HydrophobicContact CE-CE 3.34Å; M419-M477 WeakPolarHBondContact CE-O 3.38Å; M419-M477 HydrophobicContact CE-SD 4.46Å; M419-M477 HydrophobicContact SD-CE 4.34Å; L459-M477 HydrophobicContact CD1-CE 3.93Å; L459-M477 HydrophobicContact CD1-SD 3.55Å; L459-M477 VanDerWaalsContact CD1-SD 3.55Å; L459-M477 HydrophobicContact CG-SD 4.27Å; F473-M477 HydrophobicContact CD1-CG 4.18Å; F473-M477 HydrophobicContact CE1-CG 3.84Å; F473-M477 HydrophobicContact CZ-CG 4.11Å; F473-M477 HydrophobicContact CZ-SD 4.43Å; F473-M477 WeakPolarHBondContact O-CG 3.44Å; F473-M477 PolarHBondContact O-N 3.36Å; N474-M477 PolarHBondContact O-N 3.36Å; K475-M477 VanDerWaalsContact C-N 3.32Å; M477-V480 PolarHBondContact O-N 3.04Å; M477-R481 WeakPolarHBondContact O-CB 3.38Å; M477-R481 PolarHBondContact O-N 3.49Å
478Q95.6Very high96Very high127 Ų12745.2 Ų45.259%0.59323%0.226SC*.Hα-helixtrans-63.4-42.2174.3-74.8176.9-12.100112.9N474 K475 V476 R481 E482N474-Q478 WeakPolarHBondContact O-CG 3.25Å; N474-Q478 PolarHBondContact O-N 2.85Å; K475-Q478 PolarHBondContact O-N 3.47Å; V476-Q478 VanDerWaalsContact C-N 3.31Å; V476-Q478 PolarHBondContact O-N 3.35Å; Q478-R481 PolarHBondContact O-N 3.45Å; Q478-E482 PolarHBondContact O-N 2.82Å
479V97.8Very high96.1Very high3 Ų349 Ų492%0.01826%0.256CS..Hα-helixtrans-62.6-44.9175173.90000110.5T462 M466 K475 V476 R481 E482 Q483 Y507 I510T462-V479 HydrophobicContact CG2-CB 4.25Å; T462-V479 HydrophobicContact CG2-CG1 3.65Å; M466-V479 HydrophobicContact CE-CG2 4.26Å; M466-V479 HydrophobicContact SD-CB 4.24Å; M466-V479 HydrophobicContact SD-CG1 4.46Å; M466-V479 HydrophobicContact SD-CG2 4.02Å; K475-V479 WeakPolarHBondContact O-CG2 3.46Å; K475-V479 PolarHBondContact O-N 3.43Å; V476-V479 PolarHBondContact O-N 3.38Å; V476-V479 VanDerWaalsContact O-N 3.15Å; V479-R481 PolarHBondContact O-N 3Å; V479-E482 PolarHBondContact O-N 3.29Å; V479-Q483 HydrophobicContact CG1-CG 4.38Å; V479-Q483 WeakPolarHBondContact O-CG 3.42Å; V479-Q483 PolarHBondContact O-N 2.93Å; V479-Y507 HydrophobicContact CG1-CD2 4.04Å; V479-Y507 HydrophobicContact CG2-CD2 4.39Å; V479-Y507 HydrophobicContact CG2-CE2 4.28Å; V479-I510 HydrophobicContact CG1-CG2 4.34Å
480V98.7Very high96.1Very high0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-62.5-42.8178.3172.10000111.3L416 M419 L458 L459 T462 V476 M477 E482 Q483 I484L416-V480 HydrophobicContact CD1-CG1 4.42Å; M419-V480 HydrophobicContact SD-CG1 4.43Å; L458-V480 HydrophobicContact CD2-CG1 4.33Å; L459-V480 HydrophobicContact CB-CG1 4.46Å; L459-V480 HydrophobicContact CB-CG2 4.26Å; L459-V480 HydrophobicContact CG-CG2 4.27Å; T462-V480 HydrophobicContact CG2-CG2 4.06Å; V476-V480 HydrophobicContact CG1-CG2 4.26Å; V476-V480 WeakPolarHBondContact O-CG2 3.5Å; V476-V480 PolarHBondContact O-N 2.87Å; M477-V480 PolarHBondContact O-N 3.04Å; V480-E482 VanDerWaalsContact C-N 3.33Å; V480-E482 PolarHBondContact O-N 3.17Å; V480-Q483 PolarHBondContact O-N 3.16Å; V480-I484 HydrophobicContact CG1-CD1 3.7Å; V480-I484 HydrophobicContact CG1-CG1 4.43Å; V480-I484 VanDerWaalsContact O-CG1 3.28Å; V480-I484 WeakPolarHBondContact O-CG1 3.3Å; V480-I484 PolarHBondContact O-N 3.28Å
481R98.5Very high96.2Very high78 Ų7852.5 Ų52.529%0.29426%0.261SS..Hα-helixtrans-54.9-50.4172.9-174.5179.4-65.2-100.15.1110.8M419 E422 I423 M477 Q478 V479 Q483 I484 T485M419-R481 HydrophobicContact CE-CB 3.92Å; M419-R481 HydrophobicContact CG-CB 4.33Å; M419-R481 HydrophobicContact CG-CG 4.3Å; M419-R481 HydrophobicContact SD-CB 3.63Å; M419-R481 HydrophobicContact SD-CG 4.23Å; E422-R481 IonicContact OE2-CZ 3.21Å; E422-R481 IonicContact OE2-NH1 3.05Å; E422-R481 PolarHBondContact OE2-NH1 3.05Å; E422-R481 IonicContact OE2-NH2 3.34Å; E422-R481 PolarHBondContact OE2-NH2 3.48Å; I423-R481 HydrophobicContact CD1-CG 4.11Å; I423-R481 HydrophobicContact CG1-CG 4.47Å; M477-R481 WeakPolarHBondContact O-CB 3.38Å; M477-R481 PolarHBondContact O-N 3.49Å; Q478-R481 PolarHBondContact O-N 3.45Å; V479-R481 PolarHBondContact O-N 3Å; R481-Q483 PolarHBondContact O-N 3.12Å; R481-I484 PolarHBondContact O-N 3.49Å; R481-T485 WeakPolarHBondContact O-CB 3.32Å; R481-T485 PolarHBondContact O-N 3.42Å; R481-T485 PolarHBondContact O-OG1 2.78Å; R481-T485 VanDerWaalsContact O-OG1 3.05Å
482E97.6Very high96.4Very high40 Ų4044.3 Ų44.319%0.18722%0.223CC..Hα-helixtrans-62.4-42.6179.9-172.5178.5169.700112.4Q478 V479 V480 I484 T485 R486 R514Q478-E482 PolarHBondContact O-N 2.82Å; V479-E482 PolarHBondContact O-N 3.29Å; V480-E482 VanDerWaalsContact C-N 3.33Å; V480-E482 PolarHBondContact O-N 3.17Å; E482-I484 VanDerWaalsContact C-N 3.33Å; E482-I484 PolarHBondContact O-N 3.39Å; E482-T485 PolarHBondContact O-N 3.46Å; E482-R486 HydrophobicContact CG-CG 4.3Å; E482-R486 VanDerWaalsContact O-CB 3.32Å; E482-R486 WeakPolarHBondContact O-CB 3.28Å; E482-R486 WeakPolarHBondContact O-CG 3.47Å; E482-R486 PolarHBondContact O-N 2.79Å; E482-R486 IonicContact OE1-CZ 2.69Å; E482-R486 VanDerWaalsContact OE1-CZ 3.24Å; E482-R486 IonicContact OE1-NE 3.13Å; E482-R486 PolarHBondContact OE1-NE 3.06Å; E482-R486 IonicContact OE1-NH2 2.74Å; E482-R486 PolarHBondContact OE1-NH2 2.99Å; E482-R514 IonicContact OE1-NE 3.62Å; E482-R514 IonicContact OE2-CZ 2.62Å; E482-R514 IonicContact OE2-NE 3.61Å; E482-R514 PolarHBondContact OE2-NE 3.32Å; E482-R514 IonicContact OE2-NH2 3.02Å; E482-R514 PolarHBondContact OE2-NH2 3.02Å
483Q98.5Very high96.4Very high1 Ų145.3 Ų45.31%0.00523%0.233CC..Hα-helixtrans-57.8-45.8175-72.1170.7-47.300111.4L458 T462 V479 V480 R481 A487 L502 L505 I510L458-Q483 HydrophobicContact CD2-CB 4.02Å; T462-Q483 PolarHBondContact OG1-NE2 2.79Å; T462-Q483 VanDerWaalsContact OG1-NE2 3.13Å; T462-Q483 PolarHBondContact OG1-OE1 2.92Å; V479-Q483 HydrophobicContact CG1-CG 4.38Å; V479-Q483 WeakPolarHBondContact O-CG 3.42Å; V479-Q483 PolarHBondContact O-N 2.93Å; V480-Q483 PolarHBondContact O-N 3.16Å; R481-Q483 PolarHBondContact O-N 3.12Å; Q483-A487 VanDerWaalsContact O-CB 3.26Å; Q483-A487 WeakPolarHBondContact O-CB 3.31Å; Q483-A487 PolarHBondContact O-N 3.21Å; Q483-L502 HydrophobicContact CB-CD2 4.38Å; Q483-L505 PolarHBondContact NE2-O 3.38Å; Q483-I510 HydrophobicContact CG-CD1 3.86Å; Q483-I510 HydrophobicContact CG-CG1 3.65Å
484I98.6Very high96.4Very high1 Ų146.3 Ų46.31%0.00524%0.24CC..Hα-helixtrans-67.2-50.5179.8-66.1165.2000110.6L416 M419 L420 I423 F451 C455 L458 V480 R481 E482 R486 A487 L488L416-I484 HydrophobicContact CD1-CD1 4.21Å; M419-I484 HydrophobicContact SD-CD1 4.48Å; L420-I484 HydrophobicContact CD2-CD1 3.89Å; L420-I484 HydrophobicContact CD2-CG2 4.47Å; I423-I484 HydrophobicContact CD1-CB 4.25Å; I423-I484 HydrophobicContact CD1-CG2 3.87Å; F451-I484 HydrophobicContact CE2-CG2 4.44Å; F451-I484 HydrophobicContact CZ-CG2 3.82Å; C455-I484 HydrophobicContact CB-CD1 4.06Å; L458-I484 HydrophobicContact CD2-CG1 3.92Å; V480-I484 HydrophobicContact CG1-CD1 3.7Å; V480-I484 HydrophobicContact CG1-CG1 4.43Å; V480-I484 VanDerWaalsContact O-CG1 3.28Å; V480-I484 WeakPolarHBondContact O-CG1 3.3Å; V480-I484 PolarHBondContact O-N 3.28Å; R481-I484 PolarHBondContact O-N 3.49Å; E482-I484 VanDerWaalsContact C-N 3.33Å; E482-I484 PolarHBondContact O-N 3.39Å; I484-R486 PolarHBondContact O-N 3.32Å; I484-A487 PolarHBondContact O-N 3.23Å; I484-A487 VanDerWaalsContact O-N 3.16Å; I484-L488 HydrophobicContact CG2-CD1 3.86Å; I484-L488 HydrophobicContact CG2-CG 4.23Å; I484-L488 WeakPolarHBondContact O-CG 3.38Å; I484-L488 PolarHBondContact O-N 3.24Å
485T97.8Very high96.6Very high72 Ų7241.9 Ų41.944%0.44222%0.216SC..Hα-helixtrans-60.8-45-179.2-57.50000111.6R481 E482 A487 L488 A489R481-T485 WeakPolarHBondContact O-CB 3.32Å; R481-T485 PolarHBondContact O-N 3.42Å; R481-T485 PolarHBondContact O-OG1 2.78Å; R481-T485 VanDerWaalsContact O-OG1 3.05Å; E482-T485 PolarHBondContact O-N 3.46Å; T485-A487 VanDerWaalsContact C-N 3.34Å; T485-A487 PolarHBondContact O-N 2.84Å; T485-L488 PolarHBondContact O-N 2.92Å; T485-A489 PolarHBondContact O-N 3.06Å
486R96.8Very high96.7Very high76 Ų7641.2 Ų41.229%0.28722%0.219SC..Hα-helixtrans-62.2-40.6175.2-72-175.2-174.5-104.86.1111.4E482 I484 A489 M490 L505 E517E482-R486 HydrophobicContact CG-CG 4.3Å; E482-R486 VanDerWaalsContact O-CB 3.32Å; E482-R486 WeakPolarHBondContact O-CB 3.28Å; E482-R486 WeakPolarHBondContact O-CG 3.47Å; E482-R486 PolarHBondContact O-N 2.79Å; E482-R486 IonicContact OE1-CZ 2.69Å; E482-R486 VanDerWaalsContact OE1-CZ 3.24Å; E482-R486 IonicContact OE1-NE 3.13Å; E482-R486 PolarHBondContact OE1-NE 3.06Å; E482-R486 IonicContact OE1-NH2 2.74Å; E482-R486 PolarHBondContact OE1-NH2 2.99Å; I484-R486 PolarHBondContact O-N 3.32Å; R486-A489 PolarHBondContact O-N 3.5Å; R486-M490 WeakPolarHBondContact O-CG 3.42Å; R486-L505 HydrophobicContact CB-CD1 4.14Å; R486-E517 IonicContact CZ-OE1 3.8Å; R486-E517 IonicContact NH1-OE1 3.68Å; R486-E517 PolarHBondContact NH1-OE1 3.24Å; R486-E517 IonicContact NH2-OE1 3.75Å; R486-E517 PolarHBondContact NH2-OE1 3.36Å; R486-E517 IonicContact NH2-OE2 2.81Å; R486-E517 PolarHBondContact NH2-OE2 2.82Å
487A97.8Very high96.6Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-67.2-40.1177.600000113Q483 I484 T485 M490 P492 L498 K501 L502 L505Q483-A487 VanDerWaalsContact O-CB 3.26Å; Q483-A487 WeakPolarHBondContact O-CB 3.31Å; Q483-A487 PolarHBondContact O-N 3.21Å; I484-A487 PolarHBondContact O-N 3.23Å; I484-A487 VanDerWaalsContact O-N 3.16Å; T485-A487 VanDerWaalsContact C-N 3.34Å; T485-A487 PolarHBondContact O-N 2.84Å; A487-M490 WeakPolarHBondContact O-CB 3.41Å; A487-M490 PolarHBondContact O-N 3.48Å; A487-P492 WeakPolarHBondContact O-CD 3.29Å; A487-L498 HydrophobicContact CB-CD1 3.95Å; A487-K501 HydrophobicContact CB-CB 4.39Å; A487-L502 HydrophobicContact CB-CD2 3.62Å; A487-L502 HydrophobicContact CB-CG 4.11Å; A487-L505 HydrophobicContact CB-CD1 3.97Å
488L96.6Very high96.6Very high9 Ų945.8 Ų45.85%0.04724%0.239CC..Hα-helixtrans-65.5-37.2177.2-72.8176.3000112.3I423 L424 M440 F451 I484 T485 M490 K491I423-L488 HydrophobicContact CG2-CD1 3.49Å; I423-L488 VanDerWaalsContact CG2-CD1 3.49Å; L424-L488 HydrophobicContact CD2-CD1 4.42Å; M440-L488 HydrophobicContact CE-CD2 3.34Å; F451-L488 HydrophobicContact CE2-CD2 4.37Å; F451-L488 HydrophobicContact CZ-CD1 4.38Å; F451-L488 HydrophobicContact CZ-CD2 4.39Å; I484-L488 HydrophobicContact CG2-CD1 3.86Å; I484-L488 HydrophobicContact CG2-CG 4.23Å; I484-L488 WeakPolarHBondContact O-CG 3.38Å; I484-L488 PolarHBondContact O-N 3.24Å; T485-L488 PolarHBondContact O-N 2.92Å; L488-M490 PolarHBondContact O-N 3Å; L488-K491 PolarHBondContact O-N 3.42Å
489A94.7Very high96.7Very high78 Ų7843.3 Ų43.365%0.64523%0.227SC*.Hα-helixtrans-60.6-24174.900000112.8T485 R486 K491T485-A489 PolarHBondContact O-N 3.06Å; R486-A489 PolarHBondContact O-N 3.5Å; A489-K491 PolarHBondContact O-N 3.31Å
490M94.4Very high96.6Very high99 Ų9944.6 Ų44.649%0.48824%0.241SC..THydrogen-bonded Turntrans-80.43.3174.9-55.217484.300113.8R486 A487 L488 K501R486-M490 WeakPolarHBondContact O-CG 3.42Å; A487-M490 WeakPolarHBondContact O-CB 3.41Å; A487-M490 PolarHBondContact O-N 3.48Å; L488-M490 PolarHBondContact O-N 3Å; M490-K501 HydrophobicContact CE-CD 3.63Å; M490-K501 HydrophobicContact SD-CB 4.25Å; M490-K501 HydrophobicContact SD-CD 3.84Å; M490-K501 HydrophobicContact SD-CG 4.13Å
491K93.1Very high96.5Very high66 Ų6648.9 Ų48.929%0.28726%0.259SS..  trans46.660.4178.1-63.4-65.9179.4177.90114.3D436 Y437 L488 A489 S493D436-K491 WeakPolarHBondContact OD1-CE 3.32Å; D436-K491 IonicContact OD1-NZ 2.74Å; D436-K491 PolarHBondContact OD1-NZ 3.21Å; D436-K491 WeakPolarHBondContact OD2-CE 3.3Å; D436-K491 IonicContact OD2-NZ 3.47Å; D436-K491 PolarHBondContact OD2-NZ 3.36Å; Y437-K491 PolarHBondContact O-NZ 3.38Å; L488-K491 PolarHBondContact O-N 3.42Å; A489-K491 PolarHBondContact O-N 3.31Å; K491-S493 PolarHBondContact O-N 3Å
492P96.2Very high96.5Very high5 Ų545.5 Ų45.53%0.03225%0.247CC..  trans-59.2131.9176.226.2-34.2000110.7M440 A487 S494 H497 L498M440-P492 HydrophobicContact SD-CB 4.44Å; M440-P492 HydrophobicContact SD-CG 3.69Å; A487-P492 WeakPolarHBondContact O-CD 3.29Å; P492-S494 VanDerWaalsContact C-N 3.34Å; P492-H497 HydrophobicContact CB-CB 4.13Å; P492-L498 HydrophobicContact CB-CB 4.04Å; P492-L498 HydrophobicContact CG-CB 4.06Å; P492-L498 HydrophobicContact CG-CD1 3.95Å
493S93.9Very high96.3Very high60 Ų6052.1 Ų52.142%0.4227%0.27SS..SBendtrans-82.4-10.2-17856.60000114.3T443 K491 H497T443-S493 WeakPolarHBondContact CG2-O 3.17Å; K491-S493 PolarHBondContact O-N 3Å; S493-H497 PolarHBondContact OG-CE1 2.96Å; S493-H497 PolarHBondContact OG-ND1 2.93Å
494S96.4Very high96Very high23 Ų2354.4 Ų54.416%0.16129%0.294CS..SBendtrans-152.2163.1176.571.60000111.1P492 D496 H497 L498P492-S494 VanDerWaalsContact C-N 3.34Å; S494-D496 PolarHBondContact O-N 3.41Å; S494-H497 WeakPolarHBondContact O-CB 3.42Å; S494-H497 PolarHBondContact O-N 3.39Å; S494-H497 PolarHBondContact OG-N 2.83Å; S494-H497 VanDerWaalsContact OG-N 3.11Å; S494-L498 PolarHBondContact O-N 3.49Å
495L95.8Very high95.9Very high14 Ų1455.3 Ų55.37%0.07330%0.299CS..Hα-helixtrans-62.8-30.4175.5-69.8162.4000112.5M440 H444 E450 F451 L498 K499M440-L495 HydrophobicContact SD-CD2 4.43Å; H444-L495 HydrophobicContact CB-CD1 3.86Å; E450-L495 HydrophobicContact CB-CD1 3.52Å; E450-L495 HydrophobicContact CG-CD1 4.21Å; F451-L495 HydrophobicContact CB-CD2 4.16Å; L495-L498 HydrophobicContact CD2-CD2 4.44Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 2.85Å; L495-K499 WeakPolarHBondContact O-CG 3.17Å; L495-K499 PolarHBondContact O-N 2.99Å
496D96Very high95.8Very high104 Ų10452.9 Ų52.956%0.55629%0.285SS*.Hα-helixtrans-74.7-34.9175-66.5-37.9000112.6S494 L498 K499 G500S494-D496 PolarHBondContact O-N 3.41Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-K499 PolarHBondContact O-N 2.86Å; D496-K499 IonicContact OD1-NZ 2.87Å; D496-K499 PolarHBondContact OD1-NZ 2.93Å; D496-G500 PolarHBondContact O-N 3.5Å
497H96.9Very high95.8Very high105 Ų10552.1 Ų52.149%0.48628%0.282SS..Hα-helixtrans-62.2-42.2168.8-78.7179.9000111.2P492 S493 S494 G500 K501P492-H497 HydrophobicContact CB-CB 4.13Å; S493-H497 PolarHBondContact OG-CE1 2.96Å; S493-H497 PolarHBondContact OG-ND1 2.93Å; S494-H497 WeakPolarHBondContact O-CB 3.42Å; S494-H497 PolarHBondContact O-N 3.39Å; S494-H497 PolarHBondContact OG-N 2.83Å; S494-H497 VanDerWaalsContact OG-N 3.11Å; H497-G500 WeakPolarHBondContact O-CA 3.11Å; H497-G500 PolarHBondContact O-N 3Å; H497-G500 VanDerWaalsContact O-N 3.14Å; H497-K501 WeakPolarHBondContact O-CG 3.15Å; H497-K501 PolarHBondContact O-N 3.32Å
498L97.8Very high95.6Very high0 Ų055.9 Ų55.90%031%0.309CS..Hα-helixtrans-57.4-50.3173.1175.675.4000111.2M440 F451 V454 A487 P492 S494 L495 D496 G500 K501 L502M440-L498 HydrophobicContact CE-CD2 4.08Å; M440-L498 HydrophobicContact SD-CB 3.97Å; M440-L498 HydrophobicContact SD-CD1 4.32Å; M440-L498 HydrophobicContact SD-CD2 3.88Å; M440-L498 HydrophobicContact SD-CG 4.27Å; F451-L498 HydrophobicContact CD2-CD2 3.44Å; F451-L498 VanDerWaalsContact CD2-CD2 3.44Å; F451-L498 HydrophobicContact CE2-CD2 3.58Å; V454-L498 HydrophobicContact CG1-CD2 4.13Å; A487-L498 HydrophobicContact CB-CD1 3.95Å; P492-L498 HydrophobicContact CB-CB 4.04Å; P492-L498 HydrophobicContact CG-CB 4.06Å; P492-L498 HydrophobicContact CG-CD1 3.95Å; S494-L498 PolarHBondContact O-N 3.49Å; L495-L498 HydrophobicContact CD2-CD2 4.44Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 2.85Å; D496-L498 VanDerWaalsContact C-N 3.32Å; L498-G500 PolarHBondContact O-N 2.65Å; L498-K501 PolarHBondContact O-N 3.27Å; L498-K501 VanDerWaalsContact O-N 3.11Å; L498-L502 HydrophobicContact CD1-CD1 4.15Å; L498-L502 HydrophobicContact CD1-CG 4.27Å; L498-L502 HydrophobicContact CD2-CD1 4.36Å; L498-L502 HydrophobicContact CG-CD1 3.89Å; L498-L502 HydrophobicContact CG-CG 4.36Å; L498-L502 WeakPolarHBondContact O-CB 3.45Å; L498-L502 WeakPolarHBondContact O-CG 3.48Å; L498-L502 PolarHBondContact O-N 2.89Å
499K96.9Very high95.6Very high76 Ų7657.6 Ų57.633%0.3332%0.317SS..Hα-helixtrans-53.9-42.8174.7-70.2171.2-1661600111.3V454 L495 D496 L502 R503V454-K499 HydrophobicContact CB-CG 4.44Å; V454-K499 HydrophobicContact CG1-CG 3.81Å; V454-K499 HydrophobicContact CG2-CD 4.15Å; V454-K499 VanDerWaalsContact CG2-CE 3.4Å; V454-K499 HydrophobicContact CG2-CG 3.7Å; L495-K499 WeakPolarHBondContact O-CG 3.17Å; L495-K499 PolarHBondContact O-N 2.99Å; D496-K499 PolarHBondContact O-N 2.86Å; D496-K499 IonicContact OD1-NZ 2.87Å; D496-K499 PolarHBondContact OD1-NZ 2.93Å; K499-L502 PolarHBondContact O-N 3.07Å; K499-R503 WeakPolarHBondContact O-CG 3.47Å; K499-R503 PolarHBondContact O-N 3.35Å
500G96.2Very high95.6Very high30 Ų3053.9 Ų53.931%0.30929%0.286SS..Hα-helixtrans-58.8-48.8175.300000113.3D496 H497 L498 R503 G504D496-G500 PolarHBondContact O-N 3.5Å; H497-G500 WeakPolarHBondContact O-CA 3.11Å; H497-G500 PolarHBondContact O-N 3Å; H497-G500 VanDerWaalsContact O-N 3.14Å; L498-G500 PolarHBondContact O-N 2.65Å; G500-R503 PolarHBondContact O-N 3.12Å; G500-G504 PolarHBondContact O-N 3.31Å
501K96.6Very high95.5Very high89 Ų8952.4 Ų52.439%0.38728%0.28SS..Hα-helixtrans-62.7-45.1176.9-63.6-53.3-168.8177.40111.9A487 M490 H497 L498 R503 G504 L505A487-K501 HydrophobicContact CB-CB 4.39Å; M490-K501 HydrophobicContact CE-CD 3.63Å; M490-K501 HydrophobicContact SD-CB 4.25Å; M490-K501 HydrophobicContact SD-CD 3.84Å; M490-K501 HydrophobicContact SD-CG 4.13Å; H497-K501 WeakPolarHBondContact O-CG 3.15Å; H497-K501 PolarHBondContact O-N 3.32Å; L498-K501 PolarHBondContact O-N 3.27Å; L498-K501 VanDerWaalsContact O-N 3.11Å; K501-R503 VanDerWaalsContact C-N 3.3Å; K501-R503 PolarHBondContact O-N 3.21Å; K501-G504 PolarHBondContact O-N 3.5Å; K501-L505 PolarHBondContact O-N 3.04Å
502L97.3Very high95.4Very high8 Ų856.3 Ų56.34%0.04229%0.293CS..Hα-helixtrans-64.1-31.3178.2-71.7174.7000113.1V454 L458 Q483 A487 L498 K499 G504 L505V454-L502 HydrophobicContact CG1-CD1 3.61Å; L458-L502 HydrophobicContact CD1-CB 4.42Å; L458-L502 HydrophobicContact CD1-CD2 4.48Å; L458-L502 HydrophobicContact CD2-CD1 4.13Å; L458-L502 HydrophobicContact CD2-CD2 3.67Å; L458-L502 HydrophobicContact CD2-CG 4.4Å; Q483-L502 HydrophobicContact CB-CD2 4.38Å; A487-L502 HydrophobicContact CB-CD2 3.62Å; A487-L502 HydrophobicContact CB-CG 4.11Å; L498-L502 HydrophobicContact CD1-CD1 4.15Å; L498-L502 HydrophobicContact CD1-CG 4.27Å; L498-L502 HydrophobicContact CD2-CD1 4.36Å; L498-L502 HydrophobicContact CG-CD1 3.89Å; L498-L502 HydrophobicContact CG-CG 4.36Å; L498-L502 WeakPolarHBondContact O-CB 3.45Å; L498-L502 WeakPolarHBondContact O-CG 3.48Å; L498-L502 PolarHBondContact O-N 2.89Å; K499-L502 PolarHBondContact O-N 3.07Å; L502-G504 VanDerWaalsContact C-N 3.28Å; L502-G504 PolarHBondContact O-N 3.25Å; L502-L505 PolarHBondContact O-N 3.46Å
503R93.8Very high95.1Very high178 Ų17858 Ų5867%0.67230%0.301SS*.Hα-helixtrans-62.5-36172-78.6-171.9-62.6-136.71.8112.6K499 G500 K501 L505K499-R503 WeakPolarHBondContact O-CG 3.47Å; K499-R503 PolarHBondContact O-N 3.35Å; G500-R503 PolarHBondContact O-N 3.12Å; K501-R503 VanDerWaalsContact C-N 3.3Å; K501-R503 PolarHBondContact O-N 3.21Å; R503-L505 VanDerWaalsContact C-N 3.35Å
504G92.7Very high94.7Very high50 Ų5057.6 Ų57.652%0.51529%0.291SS..Hα-helixtrans-74.3-23.3176.900000113.9G500 K501 L502 S506G500-G504 PolarHBondContact O-N 3.31Å; K501-G504 PolarHBondContact O-N 3.5Å; L502-G504 VanDerWaalsContact C-N 3.28Å; L502-G504 PolarHBondContact O-N 3.25Å; G504-S506 PolarHBondContact O-N 2.89Å
505L96.1Very high93.9Very high19 Ų1961.8 Ų61.810%0.09931%0.308CS..SBendtrans-94.457.4178.6-64.8169.1000111.2Q483 R486 A487 K501 L502 R503 I510 L513Q483-L505 PolarHBondContact NE2-O 3.38Å; R486-L505 HydrophobicContact CB-CD1 4.14Å; A487-L505 HydrophobicContact CB-CD1 3.97Å; K501-L505 PolarHBondContact O-N 3.04Å; L502-L505 PolarHBondContact O-N 3.46Å; R503-L505 VanDerWaalsContact C-N 3.35Å; L505-I510 HydrophobicContact CB-CD1 4.46Å; L505-I510 HydrophobicContact CD2-CD1 4.36Å; L505-L513 HydrophobicContact CD2-CD1 4.37Å
506S96.3Very high93.1Very high21 Ų2164.6 Ų64.615%0.14733%0.328CS..  trans-64.9165.9174.163.90000112G504 S508 E509 I510G504-S506 PolarHBondContact O-N 2.89Å; S506-S508 VanDerWaalsContact C-N 3.25Å; S506-S508 PolarHBondContact O-N 2.92Å; S506-S508 PolarHBondContact OG-OG 3.33Å; S506-E509 PolarHBondContact O-N 3.17Å; S506-E509 PolarHBondContact OG-N 3.03Å; S506-I510 WeakPolarHBondContact O-CG1 3.39Å; S506-I510 PolarHBondContact O-N 2.77Å
507Y96.3Very high92.3Very high60 Ų6063.9 Ų63.924%0.23532%0.322CS..Hα-helixtrans-54.9-42.2173.8174.4-123000112.3E465 M466 V479 E509 I510 L511E465-Y507 HydrophobicContact CB-CD1 4.49Å; E465-Y507 WeakPolarHBondContact OE2-CB 3.37Å; E465-Y507 PolarHBondContact OE2-N 3.4Å; M466-Y507 HydrophobicContact CB-CE1 4.45Å; M466-Y507 HydrophobicContact CE-CE2 4.13Å; M466-Y507 HydrophobicContact CG-CD1 3.72Å; M466-Y507 HydrophobicContact CG-CD2 3.57Å; M466-Y507 HydrophobicContact CG-CE1 3.78Å; M466-Y507 HydrophobicContact CG-CE2 3.63Å; M466-Y507 HydrophobicContact CG-CG 3.61Å; M466-Y507 HydrophobicContact SD-CD2 3.99Å; M466-Y507 HydrophobicContact SD-CE2 3.95Å; V479-Y507 HydrophobicContact CG1-CD2 4.04Å; V479-Y507 HydrophobicContact CG2-CD2 4.39Å; V479-Y507 HydrophobicContact CG2-CE2 4.28Å; Y507-E509 VanDerWaalsContact C-N 3.31Å; Y507-E509 PolarHBondContact O-N 3.16Å; Y507-I510 PolarHBondContact O-N 3.11Å; Y507-L511 HydrophobicContact CD1-CD1 4.17Å; Y507-L511 HydrophobicContact CD2-CG 4.17Å; Y507-L511 HydrophobicContact CE1-CD1 3.54Å; Y507-L511 HydrophobicContact CE1-CG 4.17Å; Y507-L511 HydrophobicContact CE2-CD1 3.99Å; Y507-L511 HydrophobicContact CE2-CD2 3.84Å; Y507-L511 HydrophobicContact CE2-CG 3.71Å; Y507-L511 VanDerWaalsContact CZ-CD1 3.45Å; Y507-L511 WeakPolarHBondContact O-CG 3.13Å; Y507-L511 PolarHBondContact O-N 3.48Å
508S94Very high91Very high80 Ų8066.4 Ų66.456%0.55933%0.327SS*.Hα-helixtrans-62.1-38176.458.30000112.5S506 L511 R512S506-S508 VanDerWaalsContact C-N 3.25Å; S506-S508 PolarHBondContact O-N 2.92Å; S506-S508 PolarHBondContact OG-OG 3.33Å; S508-L511 PolarHBondContact O-N 3.38Å; S508-R512 WeakPolarHBondContact O-CB 3.23Å; S508-R512 PolarHBondContact O-N 3.01Å
509E96.3Very high89.2Confident45 Ų4571 Ų7121%0.2135%0.35CS..Hα-helixtrans-69.3-42.4176179.860.1-170.800111.3S506 Y507 L511 R512 L513S506-E509 PolarHBondContact O-N 3.17Å; S506-E509 PolarHBondContact OG-N 3.03Å; Y507-E509 VanDerWaalsContact C-N 3.31Å; Y507-E509 PolarHBondContact O-N 3.16Å; E509-L511 VanDerWaalsContact C-N 3.31Å; E509-L511 PolarHBondContact O-N 3.21Å; E509-R512 WeakPolarHBondContact O-CB 3.33Å; E509-R512 PolarHBondContact O-N 3.27Å; E509-R512 VanDerWaalsContact O-N 3.13Å; E509-R512 IonicContact OE1-CZ 3.94Å; E509-R512 IonicContact OE1-NE 2.66Å; E509-R512 PolarHBondContact OE1-NE 2.97Å; E509-R512 IonicContact OE1-NH2 2.73Å; E509-R512 PolarHBondContact OE1-NH2 3.48Å; E509-R512 IonicContact OE2-CZ 3.43Å; E509-R512 IonicContact OE2-NE 3.17Å; E509-R512 PolarHBondContact OE2-NE 2.92Å; E509-R512 IonicContact OE2-NH2 3.46Å; E509-R512 PolarHBondContact OE2-NH2 3.25Å; E509-L513 HydrophobicContact CG-CD1 4.27Å; E509-L513 HydrophobicContact CG-CG 4.5Å; E509-L513 VanDerWaalsContact O-CG 3.32Å; E509-L513 WeakPolarHBondContact O-CG 3.45Å; E509-L513 PolarHBondContact O-N 3.37Å
510I95Very high87.4Confident0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-60.2-42.4173.9-63.6-62.6000110.9V479 Q483 L505 S506 Y507 L513 R514V479-I510 HydrophobicContact CG1-CG2 4.34Å; Q483-I510 HydrophobicContact CG-CD1 3.86Å; Q483-I510 HydrophobicContact CG-CG1 3.65Å; L505-I510 HydrophobicContact CB-CD1 4.46Å; L505-I510 HydrophobicContact CD2-CD1 4.36Å; S506-I510 WeakPolarHBondContact O-CG1 3.39Å; S506-I510 PolarHBondContact O-N 2.77Å; Y507-I510 PolarHBondContact O-N 3.11Å; I510-L513 PolarHBondContact O-N 3.05Å; I510-R514 HydrophobicContact CG2-CG 4.42Å; I510-R514 WeakPolarHBondContact O-CB 3.34Å; I510-R514 VanDerWaalsContact O-CG 3.29Å; I510-R514 WeakPolarHBondContact O-CG 3.01Å; I510-R514 PolarHBondContact O-N 3.22Å
511L90.9Very high85.5Confident67 Ų6772.7 Ų72.735%0.35135%0.353SS..Hα-helixtrans-62.5-42173.7-74-176.3000112Y507 S508 E509 L513 R514 Q515Y507-L511 HydrophobicContact CD1-CD1 4.17Å; Y507-L511 HydrophobicContact CD2-CG 4.17Å; Y507-L511 HydrophobicContact CE1-CD1 3.54Å; Y507-L511 HydrophobicContact CE1-CG 4.17Å; Y507-L511 HydrophobicContact CE2-CD1 3.99Å; Y507-L511 HydrophobicContact CE2-CD2 3.84Å; Y507-L511 HydrophobicContact CE2-CG 3.71Å; Y507-L511 VanDerWaalsContact CZ-CD1 3.45Å; Y507-L511 WeakPolarHBondContact O-CG 3.13Å; Y507-L511 PolarHBondContact O-N 3.48Å; S508-L511 PolarHBondContact O-N 3.38Å; E509-L511 VanDerWaalsContact C-N 3.31Å; E509-L511 PolarHBondContact O-N 3.21Å; L511-L513 VanDerWaalsContact C-N 3.35Å; L511-R514 PolarHBondContact O-N 2.97Å; L511-Q515 WeakPolarHBondContact O-CB 3.33Å; L511-Q515 PolarHBondContact O-N 3.43Å
512R92.3Very high83.5Confident149 Ų14974.1 Ų74.156%0.56237%0.365SS*.Hα-helixtrans-62-42.9176.5-170.6-175.7751032.6111.4S508 E509 Q515 S516S508-R512 WeakPolarHBondContact O-CB 3.23Å; S508-R512 PolarHBondContact O-N 3.01Å; E509-R512 WeakPolarHBondContact O-CB 3.33Å; E509-R512 PolarHBondContact O-N 3.27Å; E509-R512 VanDerWaalsContact O-N 3.13Å; E509-R512 IonicContact OE1-CZ 3.94Å; E509-R512 IonicContact OE1-NE 2.66Å; E509-R512 PolarHBondContact OE1-NE 2.97Å; E509-R512 IonicContact OE1-NH2 2.73Å; E509-R512 PolarHBondContact OE1-NH2 3.48Å; E509-R512 IonicContact OE2-CZ 3.43Å; E509-R512 IonicContact OE2-NE 3.17Å; E509-R512 PolarHBondContact OE2-NE 2.92Å; E509-R512 IonicContact OE2-NH2 3.46Å; E509-R512 PolarHBondContact OE2-NH2 3.25Å; R512-Q515 PolarHBondContact O-N 3.08Å; R512-S516 VanDerWaalsContact O-CB 3.28Å; R512-S516 WeakPolarHBondContact O-CB 3.29Å; R512-S516 PolarHBondContact O-N 3.38Å
513L89.7Confident81.6Confident39 Ų3978.9 Ų78.920%0.20439%0.39CS..Hα-helixtrans-63.4-49.8175.8-68.7172000110.7L505 E509 I510 L511 Q515 S516 E517L505-L513 HydrophobicContact CD2-CD1 4.37Å; E509-L513 HydrophobicContact CG-CD1 4.27Å; E509-L513 HydrophobicContact CG-CG 4.5Å; E509-L513 VanDerWaalsContact O-CG 3.32Å; E509-L513 WeakPolarHBondContact O-CG 3.45Å; E509-L513 PolarHBondContact O-N 3.37Å; I510-L513 PolarHBondContact O-N 3.05Å; L511-L513 VanDerWaalsContact C-N 3.35Å; L513-Q515 VanDerWaalsContact C-N 3.32Å; L513-Q515 PolarHBondContact O-N 3.1Å; L513-S516 WeakPolarHBondContact O-CB 3.41Å; L513-S516 PolarHBondContact O-N 3.04Å; L513-E517 WeakPolarHBondContact O-CB 3.25Å; L513-E517 WeakPolarHBondContact O-CG 3.16Å; L513-E517 PolarHBondContact O-N 3.44Å
514R86.2Confident80Confident53 Ų5370.8 Ų70.820%0.236%0.36CS..Hα-helixtrans-60.3-39.3175.5-72.3173.1179.2-177.4-1.3112.6E482 I510 L511 E517 R518E482-R514 IonicContact OE1-NE 3.62Å; E482-R514 IonicContact OE2-CZ 2.62Å; E482-R514 IonicContact OE2-NE 3.61Å; E482-R514 PolarHBondContact OE2-NE 3.32Å; E482-R514 IonicContact OE2-NH2 3.02Å; E482-R514 PolarHBondContact OE2-NH2 3.02Å; I510-R514 HydrophobicContact CG2-CG 4.42Å; I510-R514 WeakPolarHBondContact O-CB 3.34Å; I510-R514 VanDerWaalsContact O-CG 3.29Å; I510-R514 WeakPolarHBondContact O-CG 3.01Å; I510-R514 PolarHBondContact O-N 3.22Å; L511-R514 PolarHBondContact O-N 2.97Å; R514-E517 PolarHBondContact O-N 3.37Å; R514-R518 WeakPolarHBondContact O-CB 3.49Å; R514-R518 VanDerWaalsContact O-CG 3.24Å; R514-R518 WeakPolarHBondContact O-CG 3.41Å; R514-R518 PolarHBondContact O-N 2.81Å
515Q78.9Confident78.7Confident111 Ų11173.7 Ų73.752%0.51936%0.36SS..Hα-helixtrans-70.5-39.9177.3-177.3175.96.100110.7L511 R512 L513 E517 R518 M519L511-Q515 WeakPolarHBondContact O-CB 3.33Å; L511-Q515 PolarHBondContact O-N 3.43Å; R512-Q515 PolarHBondContact O-N 3.08Å; L513-Q515 VanDerWaalsContact C-N 3.32Å; L513-Q515 PolarHBondContact O-N 3.1Å; Q515-E517 VanDerWaalsContact C-N 3.27Å; Q515-E517 PolarHBondContact O-N 3.2Å; Q515-R518 PolarHBondContact O-N 2.73Å; Q515-M519 HydrophobicContact CG-CG 3.79Å; Q515-M519 HydrophobicContact CG-SD 3.71Å; Q515-M519 PolarHBondContact NE2-SD 3.39Å; Q515-M519 WeakPolarHBondContact O-CB 3.31Å; Q515-M519 VanDerWaalsContact O-CG 3.28Å; Q515-M519 WeakPolarHBondContact O-CG 3.49Å; Q515-M519 PolarHBondContact O-N 3.43Å
516S79.2Confident77.7Confident73 Ų7374.5 Ų74.551%0.5137%0.368SS..Hα-helixtrans-60.8-40.2171.8-173.50000111R512 L513 S520R512-S516 VanDerWaalsContact O-CB 3.28Å; R512-S516 WeakPolarHBondContact O-CB 3.29Å; R512-S516 PolarHBondContact O-N 3.38Å; L513-S516 WeakPolarHBondContact O-CB 3.41Å; L513-S516 PolarHBondContact O-N 3.04Å; S516-S520 WeakPolarHBondContact O-CB 3.38Å; S516-S520 PolarHBondContact O-N 2.84Å
517E79.3Confident76.9Confident89 Ų8977 Ų7742%0.41638%0.383SS..Hα-helixtrans-67-38.6175.6-69.9160.7-174.700111.4R486 L513 R514 Q515 Q521R486-E517 IonicContact CZ-OE1 3.8Å; R486-E517 IonicContact NH1-OE1 3.68Å; R486-E517 PolarHBondContact NH1-OE1 3.24Å; R486-E517 IonicContact NH2-OE1 3.75Å; R486-E517 PolarHBondContact NH2-OE1 3.36Å; R486-E517 IonicContact NH2-OE2 2.81Å; R486-E517 PolarHBondContact NH2-OE2 2.82Å; L513-E517 WeakPolarHBondContact O-CB 3.25Å; L513-E517 WeakPolarHBondContact O-CG 3.16Å; L513-E517 PolarHBondContact O-N 3.44Å; R514-E517 PolarHBondContact O-N 3.37Å; Q515-E517 VanDerWaalsContact C-N 3.27Å; Q515-E517 PolarHBondContact O-N 3.2Å; E517-Q521 WeakPolarHBondContact O-CG 3.42Å
518R69.5Low76.3Confident157 Ų15776 Ų7659%0.59239%0.385SS*.Hα-helixtrans-82.4-40.5-180-74.2177-170.4-178.30.9115.7R514 Q515 S520 Q521 D522R514-R518 WeakPolarHBondContact O-CB 3.49Å; R514-R518 VanDerWaalsContact O-CG 3.24Å; R514-R518 WeakPolarHBondContact O-CG 3.41Å; R514-R518 PolarHBondContact O-N 2.81Å; Q515-R518 PolarHBondContact O-N 2.73Å; R518-S520 PolarHBondContact O-N 2.75Å; R518-Q521 CarbonylContact O-C 3.13Å; R518-Q521 VanDerWaalsContact O-CA 3.25Å; R518-Q521 WeakPolarHBondContact O-CA 3.38Å; R518-Q521 VanDerWaalsContact O-CB 3.29Å; R518-Q521 WeakPolarHBondContact O-CB 3.35Å; R518-Q521 PolarHBondContact O-N 2.84Å; R518-D522 PolarHBondContact O-N 2.89Å
519M59.3Low75.6Confident97 Ų9772.7 Ų72.748%0.47836%0.36SS..Hα-helixtrans-64.1-33.3175.1-69.4-174.3-24.200110Q515 Q521 D523Q515-M519 HydrophobicContact CG-CG 3.79Å; Q515-M519 HydrophobicContact CG-SD 3.71Å; Q515-M519 PolarHBondContact NE2-SD 3.39Å; Q515-M519 WeakPolarHBondContact O-CB 3.31Å; Q515-M519 VanDerWaalsContact O-CG 3.28Å; Q515-M519 WeakPolarHBondContact O-CG 3.49Å; Q515-M519 PolarHBondContact O-N 3.43Å; M519-Q521 PolarHBondContact O-N 3.37Å; M519-Q521 VanDerWaalsContact O-N 3.08Å; M519-D523 PolarHBondContact O-N 2.89Å
520S59.7Low75Confident24 Ų2473.4 Ų73.417%0.16837%0.365CS..Hα-helixtrans-63.3-6.3166.6-154.30000114.1S516 R518 F524 S687 K691S516-S520 WeakPolarHBondContact O-CB 3.38Å; S516-S520 PolarHBondContact O-N 2.84Å; R518-S520 PolarHBondContact O-N 2.75Å; S520-F524 WeakPolarHBondContact O-CD2 3.49Å; S520-F524 WeakPolarHBondContact O-CE2 3.45Å; S520-S687 PolarHBondContact O-OG 3.19Å; S520-S687 VanDerWaalsContact O-OG 3.12Å; S520-S687 PolarHBondContact OG-OG 3.48Å; S520-K691 VanDerWaalsContact OG-CE 3.29Å; S520-K691 WeakPolarHBondContact OG-CE 3.27Å; S520-K691 PolarHBondContact OG-NZ 3.44Å
521Q56.1Low74.6Confident118 Ų11878.3 Ų78.355%0.55139%0.388SS*.Hα-helixtrans-117.9-32.2177.6-72.5-178.9-16.200114.1E517 R518 M519 F524E517-Q521 WeakPolarHBondContact O-CG 3.42Å; R518-Q521 CarbonylContact O-C 3.13Å; R518-Q521 VanDerWaalsContact O-CA 3.25Å; R518-Q521 WeakPolarHBondContact O-CA 3.38Å; R518-Q521 VanDerWaalsContact O-CB 3.29Å; R518-Q521 WeakPolarHBondContact O-CB 3.35Å; R518-Q521 PolarHBondContact O-N 2.84Å; M519-Q521 PolarHBondContact O-N 3.37Å; M519-Q521 VanDerWaalsContact O-N 3.08Å; Q521-F524 WeakPolarHBondContact O-CB 3.06Å; Q521-F524 PolarHBondContact O-N 2.84Å
522D54Low74.4Confident119 Ų11977.5 Ų77.564%0.63638%0.384SS*.Hα-helixtrans-80.7-34.7-177.6-86.5-9.9000113.1R518 F524 Q525R518-D522 PolarHBondContact O-N 2.89Å; D522-F524 PolarHBondContact O-N 2.74Å; D522-Q525 PolarHBondContact O-N 3.39Å; D522-Q525 VanDerWaalsContact O-N 3.14Å
523D58.8Low74.1Confident107 Ų10773.6 Ų73.657%0.57237%0.369SS*.THydrogen-bonded Turntrans-59.5-9.9169.1-76-23.1000111.7M519 I529M519-D523 PolarHBondContact O-N 2.89Å; D523-I529 WeakPolarHBondContact O-CD1 3.47Å; D523-I529 WeakPolarHBondContact O-CG2 3.46Å
524F60.4Low74.1Confident8 Ų877.7 Ų77.74%0.03539%0.387CS..THydrogen-bonded Turntrans-97.53.1-177.9-65-105.8000114.5S520 Q521 D522 I529 S687 M690 K691S520-F524 WeakPolarHBondContact O-CD2 3.49Å; S520-F524 WeakPolarHBondContact O-CE2 3.45Å; Q521-F524 WeakPolarHBondContact O-CB 3.06Å; Q521-F524 PolarHBondContact O-N 2.84Å; D522-F524 PolarHBondContact O-N 2.74Å; F524-I529 HydrophobicContact CB-CG2 4.44Å; F524-S687 VanDerWaalsContact CE1-CA 3.49Å; F524-S687 VanDerWaalsContact CZ-CA 3.48Å; F524-S687 WeakPolarHBondContact CZ-O 3.44Å; F524-S687 VanDerWaalsContact CZ-OG 3.31Å; F524-S687 WeakPolarHBondContact CZ-OG 3.47Å; F524-M690 HydrophobicContact CD1-CB 3.89Å; F524-M690 HydrophobicContact CD1-CG 3.79Å; F524-M690 HydrophobicContact CE1-CB 3.05Å; F524-M690 HydrophobicContact CE1-CG 3.35Å; F524-M690 HydrophobicContact CZ-CB 3.57Å; F524-M690 HydrophobicContact CZ-CG 4.35Å; F524-K691 HydrophobicContact CZ-CG 4.39Å
525Q64.1Low74.3Confident111 Ų11184 Ų8452%0.51941%0.411SS..  trans-107.5-2.4-169.3-60.2-67.3-31.900115.2D522 I530D522-Q525 PolarHBondContact O-N 3.39Å; D522-Q525 VanDerWaalsContact O-N 3.14Å; Q525-I530 VanDerWaalsContact O-CD1 3.27Å; Q525-I530 WeakPolarHBondContact O-CD1 3.38Å
526S74.9Confident74.8Confident37 Ų3779 Ų7926%0.25939%0.388SS..SBendtrans-74.2148.2174.475.70000111.2I529 I530S526-I529 CarbonylContact O-C 3.46Å; S526-I529 WeakPolarHBondContact O-CA 3.5Å; S526-I529 WeakPolarHBondContact O-CB 3.38Å; S526-I529 PolarHBondContact O-N 2.74Å; S526-I529 WeakPolarHBondContact OG-CB 3.37Å; S526-I529 WeakPolarHBondContact OG-CD1 3.3Å; S526-I529 WeakPolarHBondContact OG-CG1 3.43Å; S526-I530 WeakPolarHBondContact O-CG1 3.39Å; S526-I530 PolarHBondContact O-N 3.26Å
527P80.7Confident75.4Confident72 Ų7278.8 Ų78.847%0.46838%0.378SS..Hα-helixtrans-54.3-44.9-175.9-23.130.9000114.9I529 I530 E531P527-I529 VanDerWaalsContact C-N 3.25Å; P527-I529 PolarHBondContact O-N 2.97Å; P527-I530 PolarHBondContact O-N 3.49Å; P527-E531 WeakPolarHBondContact O-CG 3.29Å; P527-E531 PolarHBondContact O-N 3.02Å
528P82.2Confident76.1Confident41 Ų4178.3 Ų78.327%0.26638%0.383SS..Hα-helixtrans-63.5-31.4176.4-2133000113.3L532 I702 P703P528-L532 WeakPolarHBondContact O-CB 3.14Å; P528-L532 PolarHBondContact O-N 3.15Å; P528-I702 HydrophobicContact CB-CG2 4.37Å; P528-I702 HydrophobicContact CG-CG2 4.3Å; P528-P703 WeakPolarHBondContact CG-O 3.22Å
529I80.4Confident77.2Confident10 Ų1076.6 Ų76.65%0.05138%0.382CS..Hα-helixtrans-78.3-37.2179.4-67.8174.4000111.1D523 F524 S526 P527 L532 R533 M690 L694 I702D523-I529 WeakPolarHBondContact O-CD1 3.47Å; D523-I529 WeakPolarHBondContact O-CG2 3.46Å; F524-I529 HydrophobicContact CB-CG2 4.44Å; S526-I529 CarbonylContact O-C 3.46Å; S526-I529 WeakPolarHBondContact O-CA 3.5Å; S526-I529 WeakPolarHBondContact O-CB 3.38Å; S526-I529 PolarHBondContact O-N 2.74Å; S526-I529 WeakPolarHBondContact OG-CB 3.37Å; S526-I529 WeakPolarHBondContact OG-CD1 3.3Å; S526-I529 WeakPolarHBondContact OG-CG1 3.43Å; P527-I529 VanDerWaalsContact C-N 3.25Å; P527-I529 PolarHBondContact O-N 2.97Å; I529-L532 PolarHBondContact O-N 3.26Å; I529-R533 WeakPolarHBondContact O-CB 3.2Å; I529-R533 PolarHBondContact O-N 3.44Å; I529-M690 HydrophobicContact CB-CE 4.39Å; I529-M690 HydrophobicContact CG2-CE 3.47Å; I529-M690 VanDerWaalsContact CG2-CE 3.47Å; I529-L694 HydrophobicContact CD1-CD1 4.09Å; I529-L694 HydrophobicContact CD1-CD2 4.47Å; I529-L694 HydrophobicContact CG1-CD1 4.48Å; I529-L694 HydrophobicContact CG1-CD2 4.4Å; I529-I702 HydrophobicContact CD1-CD1 3.69Å; I529-I702 HydrophobicContact CG1-CD1 4.3Å
530I83.8Confident78.9Confident59 Ų5972.6 Ų72.630%0.30336%0.362SS..Hα-helixtrans-62.7-46.9171.6-66.5169.6000109.8Q525 S526 P527 L532 R533 E534Q525-I530 VanDerWaalsContact O-CD1 3.27Å; Q525-I530 WeakPolarHBondContact O-CD1 3.38Å; S526-I530 WeakPolarHBondContact O-CG1 3.39Å; S526-I530 PolarHBondContact O-N 3.26Å; P527-I530 PolarHBondContact O-N 3.49Å; I530-L532 VanDerWaalsContact C-N 3.28Å; I530-L532 PolarHBondContact O-N 2.97Å; I530-R533 WeakPolarHBondContact O-CB 3.25Å; I530-R533 PolarHBondContact O-N 3.23Å; I530-R533 VanDerWaalsContact O-N 3.15Å; I530-E534 HydrophobicContact CG2-CG 4.46Å; I530-E534 WeakPolarHBondContact O-CG 3.22Å; I530-E534 PolarHBondContact O-N 3.16Å
531E85.9Confident80.5Confident104 Ų10474 Ų7449%0.48637%0.368SS..Hα-helixtrans-58.1-41.7175.1-76.1-174.6-157.900111.9P527 R535P527-E531 WeakPolarHBondContact O-CG 3.29Å; P527-E531 PolarHBondContact O-N 3.02Å; E531-R535 WeakPolarHBondContact O-CG 3.34Å; E531-R535 PolarHBondContact O-N 2.99Å; E531-R535 VanDerWaalsContact O-N 3.11Å; E531-R535 IonicContact OE2-NH2 3.39Å
532L86.8Confident82.3Confident50 Ų5072.1 Ų72.126%0.26236%0.359SS..Hα-helixtrans-65.7-43.3176.2-17658.7000111.5P528 I529 I530 E534 R535 I536 M690 R693P528-L532 WeakPolarHBondContact O-CB 3.14Å; P528-L532 PolarHBondContact O-N 3.15Å; I529-L532 PolarHBondContact O-N 3.26Å; I530-L532 VanDerWaalsContact C-N 3.28Å; I530-L532 PolarHBondContact O-N 2.97Å; L532-E534 PolarHBondContact O-N 2.66Å; L532-R535 PolarHBondContact O-N 2.89Å; L532-I536 HydrophobicContact CD1-CD1 3.73Å; L532-I536 HydrophobicContact CD1-CG1 4.16Å; L532-I536 HydrophobicContact CD2-CD1 4.41Å; L532-I536 HydrophobicContact CG-CD1 3.7Å; L532-I536 HydrophobicContact CG-CG1 4.46Å; L532-I536 WeakPolarHBondContact O-CB 3.41Å; L532-I536 VanDerWaalsContact O-CG1 3.3Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 2.91Å; L532-M690 HydrophobicContact CB-CE 4.32Å; L532-M690 HydrophobicContact CB-SD 4.3Å; L532-M690 HydrophobicContact CD2-CE 3.75Å; L532-M690 HydrophobicContact CD2-SD 4.01Å; L532-M690 HydrophobicContact CG-CE 4.11Å; L532-M690 HydrophobicContact CG-SD 3.84Å; L532-R693 HydrophobicContact CD2-CB 4.3Å
533R86.4Confident84.3Confident66 Ų6670.5 Ų70.525%0.24935%0.35CS..Hα-helixtrans-58.7-46.8175.7178.2177-177.2-1704.8111.4I529 I530 R535 I536 Q537 D683 I686 M690I529-R533 WeakPolarHBondContact O-CB 3.2Å; I529-R533 PolarHBondContact O-N 3.44Å; I530-R533 WeakPolarHBondContact O-CB 3.25Å; I530-R533 PolarHBondContact O-N 3.23Å; I530-R533 VanDerWaalsContact O-N 3.15Å; R533-R535 VanDerWaalsContact C-N 3.3Å; R533-R535 PolarHBondContact O-N 3.29Å; R533-I536 PolarHBondContact O-N 2.89Å; R533-Q537 VanDerWaalsContact O-CB 3.23Å; R533-Q537 WeakPolarHBondContact O-CB 3.49Å; R533-Q537 PolarHBondContact O-N 3.47Å; R533-D683 IonicContact NH2-OD1 2.72Å; R533-D683 PolarHBondContact NH2-OD1 3.08Å; R533-I686 HydrophobicContact CG-CD1 4.35Å; R533-I686 HydrophobicContact CG-CG2 3.75Å; R533-M690 HydrophobicContact CB-SD 4.35Å
534E89.4Confident86Confident126 Ų12665.5 Ų65.559%0.58932%0.323SS*.Hα-helixtrans-63.4-34.9178-73.1-177.9172.100112.3I530 L532 P538I530-E534 HydrophobicContact CG2-CG 4.46Å; I530-E534 WeakPolarHBondContact O-CG 3.22Å; I530-E534 PolarHBondContact O-N 3.16Å; L532-E534 PolarHBondContact O-N 2.66Å; E534-P538 VanDerWaalsContact O-CD 3.25Å; E534-P538 WeakPolarHBondContact O-CD 3.19Å
535R89.8Confident87.7Confident184 Ų18467.9 Ų67.969%0.69433%0.334SS*.Hα-helixtrans-72.2-34.9175.3-72.6179-167.8170.711.8113.3E531 L532 R533E531-R535 WeakPolarHBondContact O-CG 3.34Å; E531-R535 PolarHBondContact O-N 2.99Å; E531-R535 VanDerWaalsContact O-N 3.11Å; E531-R535 IonicContact OE2-NH2 3.39Å; L532-R535 PolarHBondContact O-N 2.89Å; R533-R535 VanDerWaalsContact C-N 3.3Å; R533-R535 PolarHBondContact O-N 3.29Å
536I89.8Confident89.2Confident7 Ų767.2 Ų67.24%0.03633%0.33CS..Hα-helixtrans-82.3-31.7-179-69.8172.8000111.6L532 R533 P538 E539 I540 E689 M690 R693L532-I536 HydrophobicContact CD1-CD1 3.73Å; L532-I536 HydrophobicContact CD1-CG1 4.16Å; L532-I536 HydrophobicContact CD2-CD1 4.41Å; L532-I536 HydrophobicContact CG-CD1 3.7Å; L532-I536 HydrophobicContact CG-CG1 4.46Å; L532-I536 WeakPolarHBondContact O-CB 3.41Å; L532-I536 VanDerWaalsContact O-CG1 3.3Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 2.91Å; R533-I536 PolarHBondContact O-N 2.89Å; I536-P538 VanDerWaalsContact C-CD 3.48Å; I536-E539 WeakPolarHBondContact O-CB 3.31Å; I536-E539 PolarHBondContact O-N 3.45Å; I536-I540 HydrophobicContact CG2-CD1 4.21Å; I536-I540 HydrophobicContact CG2-CG1 3.63Å; I536-I540 PolarHBondContact O-N 3.36Å; I536-I540 VanDerWaalsContact O-N 3.13Å; I536-E689 HydrophobicContact CD1-CG 4.25Å; I536-E689 HydrophobicContact CG2-CB 4.43Å; I536-E689 HydrophobicContact CG2-CG 3.8Å; I536-M690 HydrophobicContact CD1-SD 3.86Å; I536-R693 HydrophobicContact CD1-CG 4.19Å
537Q92.2Very high90.2Very high68 Ų6868.6 Ų68.632%0.31833%0.333SS..Hα-helixtrans-50.8-43.2-174.9172171.7-11.100114.5R533 E539 I540 L541 L682 I686R533-Q537 VanDerWaalsContact O-CB 3.23Å; R533-Q537 WeakPolarHBondContact O-CB 3.49Å; R533-Q537 PolarHBondContact O-N 3.47Å; Q537-E539 VanDerWaalsContact C-N 3.33Å; Q537-E539 PolarHBondContact O-N 2.86Å; Q537-I540 PolarHBondContact O-N 3.49Å; Q537-L541 HydrophobicContact CG-CD1 3.99Å; Q537-L541 HydrophobicContact CG-CG 4.42Å; Q537-L541 WeakPolarHBondContact O-CB 3.41Å; Q537-L541 WeakPolarHBondContact O-CG 3.45Å; Q537-L541 PolarHBondContact O-N 2.96Å; Q537-L682 HydrophobicContact CG-CD1 4.31Å; Q537-L682 HydrophobicContact CG-CD2 4.45Å; Q537-I686 HydrophobicContact CB-CD1 3.85Å; Q537-I686 HydrophobicContact CG-CD1 4.05Å
538P93.6Very high90.9Very high80 Ų8065.2 Ų65.252%0.51931%0.31SS..Hα-helixtrans-61.7-37.1176-24.234.6000113.7E534 I536 L541 E542E534-P538 VanDerWaalsContact O-CD 3.25Å; E534-P538 WeakPolarHBondContact O-CD 3.19Å; I536-P538 VanDerWaalsContact C-CD 3.48Å; P538-L541 PolarHBondContact O-N 3.16Å; P538-E542 PolarHBondContact O-N 3.03Å
539E93.5Very high91.5Very high121 Ų12164 Ų6457%0.56530%0.302SS*.Hα-helixtrans-67-43.4177.6-175.2179.9179.600110.9I536 Q537 E542 L543I536-E539 WeakPolarHBondContact O-CB 3.31Å; I536-E539 PolarHBondContact O-N 3.45Å; Q537-E539 VanDerWaalsContact C-N 3.33Å; Q537-E539 PolarHBondContact O-N 2.86Å; E539-E542 PolarHBondContact O-N 3.21Å; E539-L543 PolarHBondContact O-N 3.21Å
540I93.8Very high92.2Very high12 Ų1267.6 Ų67.66%0.06232%0.321CS..Hα-helixtrans-67.2-40176.8-59-61.6000111.4I536 Q537 E542 L543 I544 L682 L685 I686 E689I536-I540 HydrophobicContact CG2-CD1 4.21Å; I536-I540 HydrophobicContact CG2-CG1 3.63Å; I536-I540 PolarHBondContact O-N 3.36Å; I536-I540 VanDerWaalsContact O-N 3.13Å; Q537-I540 PolarHBondContact O-N 3.49Å; I540-E542 VanDerWaalsContact C-N 3.3Å; I540-E542 PolarHBondContact O-N 3.49Å; I540-L543 WeakPolarHBondContact O-CB 3.47Å; I540-L543 PolarHBondContact O-N 3.19Å; I540-I544 HydrophobicContact CG2-CD1 4.18Å; I540-I544 WeakPolarHBondContact O-CG1 3.41Å; I540-I544 PolarHBondContact O-N 2.92Å; I540-L682 HydrophobicContact CB-CD1 4.15Å; I540-L682 HydrophobicContact CG2-CD1 3.77Å; I540-L685 HydrophobicContact CG2-CB 3.48Å; I540-L685 VanDerWaalsContact CG2-CB 3.48Å; I540-L685 HydrophobicContact CG2-CD1 4.13Å; I540-L685 HydrophobicContact CG2-CG 4.48Å; I540-I686 HydrophobicContact CB-CG1 4.1Å; I540-I686 HydrophobicContact CG1-CG1 3.94Å; I540-I686 HydrophobicContact CG2-CG1 4.08Å; I540-E689 HydrophobicContact CD1-CB 4.08Å; I540-E689 HydrophobicContact CD1-CG 4.31Å
541L93.9Very high92.6Very high54 Ų5467.7 Ų67.728%0.28332%0.318SS..Hα-helixtrans-62.1-38.7173.4-80172000111.7Q537 P538 L543 I544 K545 M673 T678 L682Q537-L541 HydrophobicContact CG-CD1 3.99Å; Q537-L541 HydrophobicContact CG-CG 4.42Å; Q537-L541 WeakPolarHBondContact O-CB 3.41Å; Q537-L541 WeakPolarHBondContact O-CG 3.45Å; Q537-L541 PolarHBondContact O-N 2.96Å; P538-L541 PolarHBondContact O-N 3.16Å; L541-L543 VanDerWaalsContact C-N 3.33Å; L541-I544 PolarHBondContact O-N 3.37Å; L541-K545 VanDerWaalsContact O-CB 3.28Å; L541-K545 WeakPolarHBondContact O-CB 3.36Å; L541-K545 PolarHBondContact O-N 2.98Å; L541-M673 HydrophobicContact CD2-CE 4.43Å; L541-T678 HydrophobicContact CD2-CG2 4.43Å; L541-L682 HydrophobicContact CD2-CD1 3.88Å; L541-L682 HydrophobicContact CD2-CD2 4.02Å; L541-L682 HydrophobicContact CD2-CG 4.43Å; L541-L682 HydrophobicContact CG-CD1 3.78Å; L541-L682 HydrophobicContact CG-CD2 4.36Å
542E94.8Very high93Very high79 Ų7962.8 Ų62.837%0.36930%0.295SS..Hα-helixtrans-66.3-37.2174.7-169.159.6-154.300111.4P538 E539 I540 K545 Q546P538-E542 PolarHBondContact O-N 3.03Å; E539-E542 PolarHBondContact O-N 3.21Å; I540-E542 VanDerWaalsContact C-N 3.3Å; I540-E542 PolarHBondContact O-N 3.49Å; E542-K545 VanDerWaalsContact CD-NZ 3.26Å; E542-K545 WeakPolarHBondContact O-CB 3.43Å; E542-K545 PolarHBondContact O-N 3.26Å; E542-K545 IonicContact OE1-NZ 2.64Å; E542-K545 PolarHBondContact OE1-NZ 3.37Å; E542-K545 IonicContact OE2-NZ 2.84Å; E542-K545 PolarHBondContact OE2-NZ 3.33Å; E542-Q546 VanDerWaalsContact O-CG 3.31Å; E542-Q546 WeakPolarHBondContact O-CG 3.28Å; E542-Q546 PolarHBondContact O-N 3.17Å
543L95.5Very high93.3Very high84 Ų8460.6 Ų60.644%0.4428%0.284SS..Hα-helixtrans-63.5-45.6173.6-178.466.4000111.9E539 I540 L541 K545 Q546 Q547 L685E539-L543 PolarHBondContact O-N 3.21Å; I540-L543 WeakPolarHBondContact O-CB 3.47Å; I540-L543 PolarHBondContact O-N 3.19Å; L541-L543 VanDerWaalsContact C-N 3.33Å; L543-K545 VanDerWaalsContact C-N 3.31Å; L543-K545 PolarHBondContact O-N 3.32Å; L543-Q546 PolarHBondContact O-N 2.83Å; L543-Q547 PolarHBondContact O-N 3.34Å; L543-L685 HydrophobicContact CD2-CD1 4.36Å
544I94.6Very high93.5Very high3 Ų362 Ų622%0.01529%0.293CS..Hα-helixtrans-60.7-45.2174.8-66.2166.3000109.6I540 L541 Q546 Q547 R548 M673 T678 D681 L682 L685I540-I544 HydrophobicContact CG2-CD1 4.18Å; I540-I544 WeakPolarHBondContact O-CG1 3.41Å; I540-I544 PolarHBondContact O-N 2.92Å; L541-I544 PolarHBondContact O-N 3.37Å; I544-Q546 VanDerWaalsContact C-N 3.35Å; I544-Q546 PolarHBondContact O-N 3.29Å; I544-Q547 CarbonylContact O-C 3.52Å; I544-Q547 WeakPolarHBondContact O-CA 3.39Å; I544-Q547 WeakPolarHBondContact O-CB 3.12Å; I544-Q547 PolarHBondContact O-N 3.32Å; I544-Q547 VanDerWaalsContact O-N 3.1Å; I544-R548 HydrophobicContact CG2-CG 4.29Å; I544-R548 WeakPolarHBondContact O-CG 3.16Å; I544-R548 PolarHBondContact O-N 3Å; I544-M673 HydrophobicContact CB-CE 4.23Å; I544-M673 HydrophobicContact CG2-CE 3.88Å; I544-M673 HydrophobicContact CG2-SD 4.38Å; I544-T678 HydrophobicContact CG2-CG2 4.3Å; I544-D681 HydrophobicContact CD1-CB 3.88Å; I544-D681 HydrophobicContact CG1-CB 4.19Å; I544-L682 HydrophobicContact CD1-CB 3.87Å; I544-L682 HydrophobicContact CD1-CD1 4.18Å; I544-L685 HydrophobicContact CD1-CD1 4.19Å; I544-L685 HydrophobicContact CG1-CD1 3.7Å
545K96.5Very high93.5Very high58 Ų5856.4 Ų56.425%0.25227%0.27SS..Hα-helixtrans-58-45.5176.3162.8162.5163.2-113.30111.7L541 E542 L543 Q547 R548 L549 A667 M673L541-K545 VanDerWaalsContact O-CB 3.28Å; L541-K545 WeakPolarHBondContact O-CB 3.36Å; L541-K545 PolarHBondContact O-N 2.98Å; E542-K545 VanDerWaalsContact CD-NZ 3.26Å; E542-K545 WeakPolarHBondContact O-CB 3.43Å; E542-K545 PolarHBondContact O-N 3.26Å; E542-K545 IonicContact OE1-NZ 2.64Å; E542-K545 PolarHBondContact OE1-NZ 3.37Å; E542-K545 IonicContact OE2-NZ 2.84Å; E542-K545 PolarHBondContact OE2-NZ 3.33Å; L543-K545 VanDerWaalsContact C-N 3.31Å; L543-K545 PolarHBondContact O-N 3.32Å; K545-Q547 VanDerWaalsContact C-N 3.31Å; K545-Q547 PolarHBondContact O-N 2.81Å; K545-R548 PolarHBondContact O-N 2.9Å; K545-L549 HydrophobicContact CG-CD1 4.07Å; K545-L549 WeakPolarHBondContact O-CB 3.33Å; K545-L549 VanDerWaalsContact O-CG 3.3Å; K545-L549 WeakPolarHBondContact O-CG 3.4Å; K545-L549 PolarHBondContact O-N 2.92Å; K545-A667 HydrophobicContact CB-CB 4.46Å; K545-A667 HydrophobicContact CD-CB 3.96Å; K545-A667 HydrophobicContact CG-CB 3.92Å; K545-M673 HydrophobicContact CB-CE 3.9Å; K545-M673 HydrophobicContact CB-SD 4.3Å
546Q95.3Very high93.4Very high97 Ų9748.1 Ų48.145%0.45324%0.24SC..Hα-helixtrans-59.8-42.7174.3-74.1174.28.600111.4E542 L543 I544 L549 N550E542-Q546 VanDerWaalsContact O-CG 3.31Å; E542-Q546 WeakPolarHBondContact O-CG 3.28Å; E542-Q546 PolarHBondContact O-N 3.17Å; L543-Q546 PolarHBondContact O-N 2.83Å; I544-Q546 VanDerWaalsContact C-N 3.35Å; I544-Q546 PolarHBondContact O-N 3.29Å; Q546-L549 PolarHBondContact O-N 2.98Å; Q546-N550 WeakPolarHBondContact O-CB 2.96Å; Q546-N550 PolarHBondContact O-N 3.07Å; Q546-N550 PolarHBondContact O-ND2 3.31Å; Q546-N550 PolarHBondContact O-OD1 2.84Å
547Q95Very high93.2Very high65 Ų6549.3 Ų49.330%0.30425%0.248SC..Hα-helixtrans-62.1-44175.6-172-83-7.600111.8L543 I544 K545 N550 R551L543-Q547 PolarHBondContact O-N 3.34Å; I544-Q547 CarbonylContact O-C 3.52Å; I544-Q547 WeakPolarHBondContact O-CA 3.39Å; I544-Q547 WeakPolarHBondContact O-CB 3.12Å; I544-Q547 PolarHBondContact O-N 3.32Å; I544-Q547 VanDerWaalsContact O-N 3.1Å; K545-Q547 VanDerWaalsContact C-N 3.31Å; K545-Q547 PolarHBondContact O-N 2.81Å; Q547-N550 WeakPolarHBondContact O-CB 2.91Å; Q547-N550 PolarHBondContact O-N 3.08Å; Q547-R551 WeakPolarHBondContact O-CG 3.29Å; Q547-R551 PolarHBondContact O-N 3.22Å
548R95.4Very high92.8Very high1 Ų146 Ų460%0.00423%0.233CC..Hα-helixtrans-62.7-44.5176.9-63.6-57.7-175.3-99-7.8111.4I544 K545 N550 R551 L552 D663 M673 T678 D681I544-R548 HydrophobicContact CG2-CG 4.29Å; I544-R548 WeakPolarHBondContact O-CG 3.16Å; I544-R548 PolarHBondContact O-N 3Å; K545-R548 PolarHBondContact O-N 2.9Å; R548-N550 VanDerWaalsContact C-N 3.32Å; R548-N550 PolarHBondContact O-N 3.46Å; R548-R551 PolarHBondContact O-N 3.2Å; R548-L552 WeakPolarHBondContact O-CG 3.47Å; R548-L552 PolarHBondContact O-N 3.33Å; R548-D663 HydrophobicContact CG-CB 4.37Å; R548-M673 HydrophobicContact CG-SD 3.93Å; R548-T678 PolarHBondContact NH2-OG1 3.37Å; R548-T678 VanDerWaalsContact NH2-OG1 3.11Å; R548-D681 IonicContact CZ-OD2 2.84Å; R548-D681 VanDerWaalsContact CZ-OD2 3.23Å; R548-D681 IonicContact NH1-OD2 3.24Å; R548-D681 PolarHBondContact NH1-OD2 3.07Å; R548-D681 IonicContact NH2-OD2 2.89Å; R548-D681 PolarHBondContact NH2-OD2 3.02Å
549L96.1Very high91.9Very high15 Ų1547.2 Ų47.28%0.07923%0.227CC..Hα-helixtrans-61.8-40.4175.7-69.3173.4000111.6K545 Q546 L552 C553 L575 L668K545-L549 HydrophobicContact CG-CD1 4.07Å; K545-L549 WeakPolarHBondContact O-CB 3.33Å; K545-L549 VanDerWaalsContact O-CG 3.3Å; K545-L549 WeakPolarHBondContact O-CG 3.4Å; K545-L549 PolarHBondContact O-N 2.92Å; Q546-L549 PolarHBondContact O-N 2.98Å; L549-L552 PolarHBondContact O-N 3.28Å; L549-C553 WeakPolarHBondContact O-CB 3.45Å; L549-C553 PolarHBondContact O-N 3.5Å; L549-C553 PolarHBondContact O-SG 3.25Å; L549-L575 HydrophobicContact CD2-CD2 4.14Å; L549-L668 HydrophobicContact CD2-CB 4.15Å; L549-L668 HydrophobicContact CD2-CD1 3.94Å
550N93.4Very high90.7Very high87 Ų8745.8 Ų45.847%0.46522%0.219SC..Hα-helixtrans-63-42.2174.1-69.3-18.1000111.6Q546 Q547 R548 C553 E554Q546-N550 WeakPolarHBondContact O-CB 2.96Å; Q546-N550 PolarHBondContact O-N 3.07Å; Q546-N550 PolarHBondContact O-ND2 3.31Å; Q546-N550 PolarHBondContact O-OD1 2.84Å; Q547-N550 WeakPolarHBondContact O-CB 2.91Å; Q547-N550 PolarHBondContact O-N 3.08Å; R548-N550 VanDerWaalsContact C-N 3.32Å; R548-N550 PolarHBondContact O-N 3.46Å; N550-C553 CarbonylContact O-C 3.08Å; N550-C553 WeakPolarHBondContact O-CA 3.33Å; N550-C553 WeakPolarHBondContact O-CB 3.33Å; N550-C553 PolarHBondContact O-N 3.44Å; N550-E554 WeakPolarHBondContact O-CG 3.24Å; N550-E554 PolarHBondContact O-N 3.42Å
551R93Very high88.9Confident61 Ų6150.4 Ų50.423%0.2324%0.243CC..Hα-helixtrans-63.7-39.7174.7-71.7-61.4-59.7177.6-3.3112.6Q547 R548 C553 E554 G555 E657 V660Q547-R551 WeakPolarHBondContact O-CG 3.29Å; Q547-R551 PolarHBondContact O-N 3.22Å; R548-R551 PolarHBondContact O-N 3.2Å; R551-C553 VanDerWaalsContact C-N 3.28Å; R551-C553 PolarHBondContact O-N 2.88Å; R551-E554 WeakPolarHBondContact CD-OE2 3.32Å; R551-E554 IonicContact CZ-OE2 3.61Å; R551-E554 IonicContact NE-OE2 2.86Å; R551-E554 IonicContact NH1-OE2 2.82Å; R551-E554 PolarHBondContact NH1-OE2 2.88Å; R551-E554 PolarHBondContact O-N 3.22Å; R551-G555 PolarHBondContact O-N 3.49Å; R551-E657 IonicContact NH2-OE1 2.74Å; R551-E657 PolarHBondContact NH2-OE1 3.41Å; R551-V660 HydrophobicContact CB-CG1 3.58Å; R551-V660 HydrophobicContact CG-CG1 4.13Å
552L94.6Very high87Confident0 Ų050.8 Ų50.80%026%0.26CS..Hα-helixtrans-61.7-40.7170.4-66.8-169.2000110.8R548 L549 G555 R574 L575 W661 G664 L665R548-L552 WeakPolarHBondContact O-CG 3.47Å; R548-L552 PolarHBondContact O-N 3.33Å; L549-L552 PolarHBondContact O-N 3.28Å; L552-G555 PolarHBondContact O-N 3.05Å; L552-R574 CarbonylContact O-C 3.47Å; L552-R574 VanDerWaalsContact O-CA 3.26Å; L552-R574 WeakPolarHBondContact O-CA 3.48Å; L552-L575 HydrophobicContact CB-CB 3.76Å; L552-L575 HydrophobicContact CB-CD2 4.02Å; L552-L575 HydrophobicContact CD1-CD2 4.25Å; L552-L575 PolarHBondContact O-N 3.06Å; L552-W661 HydrophobicContact CD2-CD2 3.43Å; L552-W661 VanDerWaalsContact CD2-CD2 3.43Å; L552-W661 HydrophobicContact CD2-CE3 3.39Å; L552-W661 HydrophobicContact CD2-CG 4.03Å; L552-W661 HydrophobicContact CD2-CH2 3.98Å; L552-W661 HydrophobicContact CD2-CZ2 4.02Å; L552-W661 HydrophobicContact CD2-CZ3 3.68Å; L552-G664 VanDerWaalsContact CD1-C 3.45Å; L552-L665 HydrophobicContact CD1-CD2 4.45Å
553C93Very high84.4Confident5 Ų552 Ų523%0.03427%0.269CS..Hα-helixtrans-65.8-36.1177.5-76.30000113.6L549 N550 R551 R574 L575 L577 H579L549-C553 WeakPolarHBondContact O-CB 3.45Å; L549-C553 PolarHBondContact O-N 3.5Å; L549-C553 PolarHBondContact O-SG 3.25Å; N550-C553 CarbonylContact O-C 3.08Å; N550-C553 WeakPolarHBondContact O-CA 3.33Å; N550-C553 WeakPolarHBondContact O-CB 3.33Å; N550-C553 PolarHBondContact O-N 3.44Å; R551-C553 VanDerWaalsContact C-N 3.28Å; R551-C553 PolarHBondContact O-N 2.88Å; C553-R574 PolarHBondContact O-NE 3.29Å; C553-R574 PolarHBondContact O-NH2 2.78Å; C553-L575 WeakPolarHBondContact CA-O 3.28Å; C553-L577 HydrophobicContact CB-CD2 4.13Å; C553-H579 PolarHBondContact SG-CD2 3.34Å
554E89.9Confident82.1Confident94 Ų9455.4 Ų55.444%0.43928%0.276SS..Hα-helixtrans-64.1-44170-71.6169.2-160.400110.3N550 R551 F572N550-E554 WeakPolarHBondContact O-CG 3.24Å; N550-E554 PolarHBondContact O-N 3.42Å; R551-E554 WeakPolarHBondContact CD-OE2 3.32Å; R551-E554 IonicContact CZ-OE2 3.61Å; R551-E554 IonicContact NE-OE2 2.86Å; R551-E554 IonicContact NH1-OE2 2.82Å; R551-E554 PolarHBondContact NH1-OE2 2.88Å; R551-E554 PolarHBondContact O-N 3.22Å; E554-F572 WeakPolarHBondContact O-CZ 3.2Å
555G89.4Confident79.9Confident10 Ų1057.4 Ų57.410%0.10328%0.284CS..  trans87.9165.9178.600000113.9R551 L552 F572 C573R551-G555 PolarHBondContact O-N 3.49Å; L552-G555 PolarHBondContact O-N 3.05Å; G555-F572 VanDerWaalsContact C-CZ 3.46Å; G555-C573 CarbonylContact C-O 3.51Å; G555-C573 WeakPolarHBondContact CA-O 3.39Å
556S88.6Confident77.5Confident9 Ų958.7 Ų58.76%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-138.7155.7-178.7-60.90000111.6F558 F572 C573 E657 W661S556-F558 WeakPolarHBondContact O-CD2 3.19Å; S556-F558 WeakPolarHBondContact O-CE2 3.42Å; S556-F572 WeakPolarHBondContact O-CA 3.32Å; S556-F572 WeakPolarHBondContact O-CD2 3.26Å; S556-C573 PolarHBondContact N-O 3.31Å; S556-C573 PolarHBondContact O-N 3.04Å; S556-E657 WeakPolarHBondContact CB-OE2 3.36Å; S556-E657 PolarHBondContact OG-OE2 3.02Å; S556-W661 PolarHBondContact OG-NE1 3.03Å
557C85.6Confident75Confident32 Ų3260.2 Ų60.222%0.21629%0.294CS..EExtended strand (participates in β ladder)trans-95.3130.6177.5-163.10000109.7F570 F572C557-F570 WeakPolarHBondContact SG-CB 3.36Å; C557-F570 WeakPolarHBondContact SG-CD1 3.39Å; C557-F570 VanDerWaalsContact SG-CG 3.53Å; C557-F572 HydrophobicContact CB-CD2 4.22Å
558F83.5Confident72.7Confident0 Ų060 Ų600%029%0.293CS..EExtended strand (participates in β ladder)trans-122.9148.5-177.5-63.9-82.6000110.1S556 F570 W571 C573 F638 F650 W661S556-F558 WeakPolarHBondContact O-CD2 3.19Å; S556-F558 WeakPolarHBondContact O-CE2 3.42Å; F558-F570 CarbonylContact O-C 3.57Å; F558-F570 VanDerWaalsContact O-CA 3.29Å; F558-F570 WeakPolarHBondContact O-CA 3.32Å; F558-W571 HydrophobicContact CB-CD2 4.15Å; F558-W571 HydrophobicContact CB-CG 4.26Å; F558-W571 HydrophobicContact CB-CZ2 3.98Å; F558-W571 HydrophobicContact CD2-CH2 4.46Å; F558-W571 HydrophobicContact CD2-CZ2 4.18Å; F558-W571 HydrophobicContact CG-CZ2 4.11Å; F558-W571 PolarHBondContact N-O 2.93Å; F558-W571 VanDerWaalsContact O-CD1 3.28Å; F558-W571 PolarHBondContact O-N 3.37Å; F558-C573 HydrophobicContact CD2-CB 4.3Å; F558-C573 HydrophobicContact CE2-CB 3.97Å; F558-F638 HydrophobicContact CE1-CE1 4.16Å; F558-F638 AromaticContact CE1-CZ 3.9Å; F558-F638 HydrophobicContact CE1-CZ 3.9Å; F558-F638 HydrophobicContact CZ-CZ 4.18Å; F558-F650 HydrophobicContact CD1-CB 4.43Å; F558-F650 AromaticContact CD1-CD1 3.92Å; F558-F650 HydrophobicContact CD1-CD1 3.92Å; F558-F650 AromaticContact CD2-CD1 4Å; F558-F650 HydrophobicContact CD2-CD1 4Å; F558-F650 HydrophobicContact CD2-CE1 4.26Å; F558-F650 HydrophobicContact CE1-CB 4.44Å; F558-F650 AromaticContact CE1-CD1 3.69Å; F558-F650 HydrophobicContact CE1-CD1 3.69Å; F558-F650 HydrophobicContact CE1-CE1 4.49Å; F558-F650 AromaticContact CE2-CD1 3.78Å; F558-F650 HydrophobicContact CE2-CD1 3.78Å; F558-F650 AromaticContact CE2-CE1 3.84Å; F558-F650 HydrophobicContact CE2-CE1 3.84Å; F558-F650 HydrophobicContact CG-CD1 4.06Å; F558-F650 AromaticContact CZ-CD1 3.6Å; F558-F650 HydrophobicContact CZ-CD1 3.6Å; F558-F650 AromaticContact CZ-CE1 3.96Å; F558-F650 HydrophobicContact CZ-CE1 3.96Å; F558-W661 HydrophobicContact CE1-CG 4.49Å; F558-W661 HydrophobicContact CE2-CD2 4.28Å; F558-W661 AromaticContact CE2-CE2 3.83Å; F558-W661 HydrophobicContact CE2-CH2 4.23Å; F558-W661 AromaticContact CE2-CZ2 3.81Å; F558-W661 HydrophobicContact CE2-CZ2 3.81Å; F558-W661 AromaticContact CZ-CD1 3.78Å; F558-W661 AromaticContact CZ-CD2 3.6Å; F558-W661 HydrophobicContact CZ-CD2 3.6Å; F558-W661 AromaticContact CZ-CE2 3.45Å; F558-W661 VanDerWaalsContact CZ-CE2 3.45Å; F558-W661 HydrophobicContact CZ-CE3 4.2Å; F558-W661 AromaticContact CZ-CG 3.84Å; F558-W661 HydrophobicContact CZ-CG 3.84Å; F558-W661 HydrophobicContact CZ-CH2 4.49Å; F558-W661 AromaticContact CZ-CZ2 3.93Å; F558-W661 HydrophobicContact CZ-CZ2 3.93Å; F558-W661 AromaticContact CZ-NE1 3.55Å
559R73.8Confident71.1Confident105 Ų10562.6 Ų62.640%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-89.4133.3179.1-162178.5-169.7121-2.6109.6E568R559-E568 IonicContact CZ-OE1 2.95Å; R559-E568 IonicContact NH1-OE1 2.85Å; R559-E568 PolarHBondContact NH1-OE1 2.91Å; R559-E568 IonicContact NH2-OE1 3.99Å; R559-E568 PolarHBondContact NH2-OE1 3.38Å
560K69.8Low70Confident90 Ų9063.5 Ų63.539%0.39131%0.308SS..  trans-71.5135.2167.6-74.2-167173.4-172.20110.4G562 K569 W571 D586K560-G562 PolarHBondContact O-N 2.82Å; K560-G562 VanDerWaalsContact O-N 3.12Å; K560-K569 HydrophobicContact CB-CB 4.45Å; K560-K569 WeakPolarHBondContact CB-O 3.44Å; K560-K569 HydrophobicContact CD-CB 4.16Å; K560-K569 HydrophobicContact CG-CB 4.47Å; K560-K569 WeakPolarHBondContact CG-O 3.29Å; K560-K569 PolarHBondContact N-O 3.01Å; K560-W571 HydrophobicContact CG-CG 4.47Å; K560-D586 WeakPolarHBondContact CE-OD1 3.42Å; K560-D586 IonicContact NZ-OD1 3.46Å; K560-D586 PolarHBondContact NZ-OD1 3.3Å; K560-D586 IonicContact NZ-OD2 2.68Å; K560-D586 PolarHBondContact NZ-OD2 3.2Å
561L56.5Low69.5Low109 Ų10960 Ų6057%0.57129%0.288SS*.  trans-69.8103.6169.3-73.9161.2000108.4H620 M621 V633 V651L561-H620 VanDerWaalsContact CD1-CD2 3.5Å; L561-H620 WeakPolarHBondContact CD1-CD2 3.43Å; L561-M621 HydrophobicContact CD1-CE 3.9Å; L561-V633 HydrophobicContact CD2-CG1 4.41Å; L561-V651 HydrophobicContact CD1-CG2 3.76Å; L561-V651 HydrophobicContact CD2-CG2 4.23Å; L561-V651 HydrophobicContact CG-CG2 4.04Å
562G52Low69.3Low62 Ų6257.8 Ų57.864%0.63928%0.28SS*.  trans-156.6163.7177.300000111.1K560 R564K560-G562 PolarHBondContact O-N 2.82Å; K560-G562 VanDerWaalsContact O-N 3.12Å; G562-R564 PolarHBondContact O-N 2.93Å
563N40.8Very low69.2Low104 Ų10457.8 Ų57.856%0.55628%0.28SS*.  trans-50.5134.4178.7-85.4-17.9000111.1D155 R565 R566D155-N563 PolarHBondContact O-ND2 2.91Å; N563-R565 PolarHBondContact O-N 2.99Å; N563-R566 PolarHBondContact O-N 3.28Å
564R46.8Very low69.2Low157 Ų15758.3 Ų58.359%0.59228%0.281SS*.THydrogen-bonded Turntrans-45-2-165.7-68.6178.7171176.1-4.4119E432 G562E432-R564 IonicContact OE1-CZ 3.27Å; E432-R564 IonicContact OE1-NE 3.83Å; E432-R564 PolarHBondContact OE1-NE 3.09Å; E432-R564 IonicContact OE1-NH2 2.99Å; E432-R564 PolarHBondContact OE1-NH2 3.18Å; G562-R564 PolarHBondContact O-N 2.93Å
565R49.3Very low69.4Low44 Ų4453.9 Ų53.917%0.16626%0.261CS..THydrogen-bonded Turntrans-137.6-11.8-163.5-78.8159.4164.9-104.7-11.4118.2D155 A191 E194 S195 N563 Q567D155-R565 VanDerWaalsContact OD2-CB 3.23Å; D155-R565 WeakPolarHBondContact OD2-CB 3.29Å; A191-R565 PolarHBondContact O-NH1 3.22Å; A191-R565 PolarHBondContact O-NH2 3.43Å; E194-R565 VanDerWaalsContact C-NH2 3.26Å; E194-R565 IonicContact OE1-CZ 2.66Å; E194-R565 IonicContact OE1-NE 3.39Å; E194-R565 IonicContact OE1-NH2 4Å; E194-R565 PolarHBondContact OE1-NH2 3.44Å; E194-R565 IonicContact OE2-NH2 3.27Å; E194-R565 PolarHBondContact OE2-NH2 2.89Å; S195-R565 VanDerWaalsContact CA-CZ 3.45Å; S195-R565 VanDerWaalsContact CB-CZ 3.41Å; S195-R565 WeakPolarHBondContact OG-CD 3.38Å; S195-R565 PolarHBondContact OG-NE 2.81Å; S195-R565 PolarHBondContact OG-NH1 3.13Å; N563-R565 PolarHBondContact O-N 2.99Å; R565-Q567 PolarHBondContact O-N 3.5Å
566R46.6Very low69.5Low85 Ų8554 Ų5432%0.32126%0.26SS..SBendtrans-61134161.4-70.1-169.8-171.4160.818.6106.3H156 N563 E568H156-R566 VanDerWaalsContact CA-NH2 3.26Å; H156-R566 PolarHBondContact CE1-NH2 3.34Å; H156-R566 PolarHBondContact ND1-NH2 3.07Å; N563-R566 PolarHBondContact O-N 3.28Å; R566-E568 PolarHBondContact O-N 3.13Å
567Q42.7Very low69.6Low129 Ų12960.4 Ų60.460%0.60329%0.292SS*.  trans-24.2116.6167.7-77176-27.800107.7R565 K569R565-Q567 PolarHBondContact O-N 3.5Å; Q567-K569 WeakPolarHBondContact O-CA 3.44Å; Q567-K569 VanDerWaalsContact O-CG 3.32Å; Q567-K569 WeakPolarHBondContact O-CG 3.32Å; Q567-K569 PolarHBondContact O-N 2.91Å
568E46.9Very low70Confident61 Ų6163.5 Ų63.529%0.28531%0.307SS..  trans-47.696.8-174.5-67.2-178.1141.900107.5R559 R566 F570R559-E568 IonicContact CZ-OE1 2.95Å; R559-E568 IonicContact NH1-OE1 2.85Å; R559-E568 PolarHBondContact NH1-OE1 2.91Å; R559-E568 IonicContact NH2-OE1 3.99Å; R559-E568 PolarHBondContact NH2-OE1 3.38Å; R566-E568 PolarHBondContact O-N 3.13Å; E568-F570 HydrophobicContact CB-CD2 4.06Å; E568-F570 HydrophobicContact CB-CE2 3.47Å; E568-F570 VanDerWaalsContact CB-CE2 3.47Å; E568-F570 HydrophobicContact CB-CZ 3.84Å; E568-F570 HydrophobicContact CG-CE2 4.44Å; E568-F570 WeakPolarHBondContact O-CD2 3.45Å; E568-F570 PolarHBondContact O-N 2.89Å; E568-F570 VanDerWaalsContact OE2-CE2 3.28Å; E568-F570 WeakPolarHBondContact OE2-CE2 3.34Å; E568-F570 WeakPolarHBondContact OE2-CZ 3.28Å
569K60.3Low70.5Confident55 Ų5566.4 Ų66.424%0.23932%0.32CS..  trans-77.795.4-174.4-79.5-161.7178.8-1720103.7K560 Q567K560-K569 HydrophobicContact CB-CB 4.45Å; K560-K569 WeakPolarHBondContact CB-O 3.44Å; K560-K569 HydrophobicContact CD-CB 4.16Å; K560-K569 HydrophobicContact CG-CB 4.47Å; K560-K569 WeakPolarHBondContact CG-O 3.29Å; K560-K569 PolarHBondContact N-O 3.01Å; Q567-K569 WeakPolarHBondContact O-CA 3.44Å; Q567-K569 VanDerWaalsContact O-CG 3.32Å; Q567-K569 WeakPolarHBondContact O-CG 3.32Å; Q567-K569 PolarHBondContact O-N 2.91Å
570F73.1Confident71.5Confident34 Ų3468 Ų6815%0.14933%0.33CS..EExtended strand (participates in β ladder)trans-71.1149.3169.6-72.8-69.3000107.5C557 F558 E568 L587C557-F570 WeakPolarHBondContact SG-CB 3.36Å; C557-F570 WeakPolarHBondContact SG-CD1 3.39Å; C557-F570 VanDerWaalsContact SG-CG 3.53Å; F558-F570 CarbonylContact O-C 3.57Å; F558-F570 VanDerWaalsContact O-CA 3.29Å; F558-F570 WeakPolarHBondContact O-CA 3.32Å; E568-F570 HydrophobicContact CB-CD2 4.06Å; E568-F570 HydrophobicContact CB-CE2 3.47Å; E568-F570 VanDerWaalsContact CB-CE2 3.47Å; E568-F570 HydrophobicContact CB-CZ 3.84Å; E568-F570 HydrophobicContact CG-CE2 4.44Å; E568-F570 WeakPolarHBondContact O-CD2 3.45Å; E568-F570 PolarHBondContact O-N 2.89Å; E568-F570 VanDerWaalsContact OE2-CE2 3.28Å; E568-F570 WeakPolarHBondContact OE2-CE2 3.34Å; E568-F570 WeakPolarHBondContact OE2-CZ 3.28Å; F570-L587 HydrophobicContact CB-CB 4.13Å; F570-L587 PolarHBondContact N-O 3.25Å; F570-L587 PolarHBondContact O-N 3.48Å; F570-L587 VanDerWaalsContact O-O 3.09Å
571W83.9Confident72.7Confident15 Ų1565.5 Ų65.56%0.05732%0.322CS..EExtended strand (participates in β ladder)trans-132.1144.9163.870.3-76.9000107F558 K560 C573 Y584 G585 L648 N649 F650F558-W571 HydrophobicContact CB-CD2 4.15Å; F558-W571 HydrophobicContact CB-CG 4.26Å; F558-W571 HydrophobicContact CB-CZ2 3.98Å; F558-W571 HydrophobicContact CD2-CH2 4.46Å; F558-W571 HydrophobicContact CD2-CZ2 4.18Å; F558-W571 HydrophobicContact CG-CZ2 4.11Å; F558-W571 PolarHBondContact N-O 2.93Å; F558-W571 VanDerWaalsContact O-CD1 3.28Å; F558-W571 PolarHBondContact O-N 3.37Å; K560-W571 HydrophobicContact CG-CG 4.47Å; W571-C573 HydrophobicContact CE3-CB 4.33Å; W571-C573 HydrophobicContact CH2-CB 4.33Å; W571-C573 HydrophobicContact CZ3-CB 3.75Å; W571-Y584 HydrophobicContact CE3-CD2 4.1Å; W571-Y584 HydrophobicContact CE3-CG 4.4Å; W571-Y584 AromaticContact CZ3-CD2 3.96Å; W571-Y584 HydrophobicContact CZ3-CD2 3.96Å; W571-Y584 HydrophobicContact CZ3-CG 4.04Å; W571-G585 CarbonylContact C-O 3.58Å; W571-G585 VanDerWaalsContact CA-O 3.22Å; W571-G585 WeakPolarHBondContact CA-O 3.13Å; W571-G585 WeakPolarHBondContact CB-O 3.39Å; W571-L648 HydrophobicContact CH2-CD1 3.65Å; W571-L648 HydrophobicContact CH2-CD2 3.9Å; W571-L648 HydrophobicContact CH2-CG 3.72Å; W571-L648 HydrophobicContact CZ3-CD1 3.78Å; W571-L648 HydrophobicContact CZ3-CD2 3.98Å; W571-L648 HydrophobicContact CZ3-CG 4.13Å; W571-N649 VanDerWaalsContact CZ2-O 3.23Å; W571-N649 WeakPolarHBondContact CZ2-O 3.41Å; W571-F650 AromaticContact CH2-CD1 3.44Å; W571-F650 HydrophobicContact CH2-CD1 3.44Å; W571-F650 VanDerWaalsContact CH2-CD1 3.44Å; W571-F650 HydrophobicContact CH2-CD2 4.34Å; W571-F650 AromaticContact CH2-CE1 3.2Å; W571-F650 HydrophobicContact CH2-CE1 3.2Å; W571-F650 HydrophobicContact CH2-CE2 4.12Å; W571-F650 HydrophobicContact CH2-CG 4.04Å; W571-F650 AromaticContact CH2-CZ 3.57Å; W571-F650 HydrophobicContact CH2-CZ 3.57Å; W571-F650 AromaticContact CZ2-CD1 3.5Å; W571-F650 HydrophobicContact CZ2-CD1 3.5Å; W571-F650 VanDerWaalsContact CZ2-CD1 3.5Å; W571-F650 AromaticContact CZ2-CE1 3.8Å; W571-F650 HydrophobicContact CZ2-CE1 3.8Å; W571-F650 AromaticContact CZ2-CG 3.93Å; W571-F650 HydrophobicContact CZ2-CG 3.93Å; W571-F650 HydrophobicContact CZ2-CZ 4.41Å; W571-F650 HydrophobicContact CZ3-CE1 4.07Å; W571-F650 HydrophobicContact CZ3-CZ 4.39Å
572F88.2Confident74.5Confident14 Ų1460.3 Ų60.36%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-110.2141-175.5-168.2-93.7000108.9E554 G555 S556 C557 R574 Y584 G585 L587 P591 V595 L600E554-F572 WeakPolarHBondContact O-CZ 3.2Å; G555-F572 VanDerWaalsContact C-CZ 3.46Å; S556-F572 WeakPolarHBondContact O-CA 3.32Å; S556-F572 WeakPolarHBondContact O-CD2 3.26Å; C557-F572 HydrophobicContact CB-CD2 4.22Å; F572-R574 HydrophobicContact CE1-CB 3.85Å; F572-R574 HydrophobicContact CE1-CG 4.26Å; F572-Y584 CarbonylContact O-C 3.52Å; F572-Y584 WeakPolarHBondContact O-CA 3.31Å; F572-Y584 VanDerWaalsContact O-CB 3.29Å; F572-Y584 WeakPolarHBondContact O-CB 3.11Å; F572-G585 PolarHBondContact N-O 3.37Å; F572-G585 PolarHBondContact O-N 3.28Å; F572-L587 HydrophobicContact CB-CD1 3.63Å; F572-L587 HydrophobicContact CB-CG 3.94Å; F572-L587 HydrophobicContact CD2-CD1 4.22Å; F572-L587 HydrophobicContact CG-CD1 4.25Å; F572-P591 HydrophobicContact CD2-CG 4.43Å; F572-V595 HydrophobicContact CD1-CB 3.94Å; F572-V595 HydrophobicContact CD1-CG1 4.14Å; F572-V595 HydrophobicContact CD1-CG2 4.15Å; F572-V595 HydrophobicContact CD2-CG2 3.86Å; F572-V595 HydrophobicContact CE1-CB 3.85Å; F572-V595 HydrophobicContact CE1-CG1 4.5Å; F572-V595 HydrophobicContact CE1-CG2 4.14Å; F572-V595 HydrophobicContact CE2-CB 4.49Å; F572-V595 HydrophobicContact CE2-CG2 3.89Å; F572-V595 HydrophobicContact CG-CB 4.27Å; F572-V595 HydrophobicContact CG-CG1 4.42Å; F572-V595 HydrophobicContact CG-CG2 4Å; F572-V595 HydrophobicContact CZ-CB 4.15Å; F572-V595 HydrophobicContact CZ-CG2 4.02Å; F572-L600 HydrophobicContact CB-CD2 4Å; F572-L600 HydrophobicContact CD1-CD1 3.91Å; F572-L600 HydrophobicContact CD1-CD2 3.98Å; F572-L600 HydrophobicContact CE1-CD1 4.41Å; F572-L600 HydrophobicContact CG-CD2 4.47Å
573C92.5Very high76.5Confident0 Ų058.3 Ų58.30%027%0.269CS..EExtended strand (participates in β ladder)trans-130.5135.9172.3-170.50000109.3G555 S556 F558 W571 H583 F650 W661G555-C573 CarbonylContact C-O 3.51Å; G555-C573 WeakPolarHBondContact CA-O 3.39Å; S556-C573 PolarHBondContact N-O 3.31Å; S556-C573 PolarHBondContact O-N 3.04Å; F558-C573 HydrophobicContact CD2-CB 4.3Å; F558-C573 HydrophobicContact CE2-CB 3.97Å; W571-C573 HydrophobicContact CE3-CB 4.33Å; W571-C573 HydrophobicContact CH2-CB 4.33Å; W571-C573 HydrophobicContact CZ3-CB 3.75Å; C573-H583 CarbonylContact C-O 3.58Å; C573-H583 VanDerWaalsContact CA-O 3.28Å; C573-H583 WeakPolarHBondContact CA-O 3.35Å; C573-F650 HydrophobicContact CB-CE1 4.09Å; C573-W661 HydrophobicContact CB-CH2 3.67Å; C573-W661 HydrophobicContact CB-CZ2 4.37Å; C573-W661 HydrophobicContact CB-CZ3 4.22Å; C573-W661 VanDerWaalsContact O-CH2 3.24Å; C573-W661 WeakPolarHBondContact O-CH2 3.48Å; C573-W661 VanDerWaalsContact O-CZ2 3.23Å; C573-W661 WeakPolarHBondContact O-CZ2 3.39Å
574R92.8Very high78.9Confident16 Ų1654.7 Ų54.76%0.0625%0.248CC..EExtended strand (participates in β ladder)trans-142.2151.7170.875.1-175.3-65.7175.91.3111.6L552 C553 F572 H583 E594 V595 L600L552-R574 CarbonylContact O-C 3.47Å; L552-R574 VanDerWaalsContact O-CA 3.26Å; L552-R574 WeakPolarHBondContact O-CA 3.48Å; C553-R574 PolarHBondContact O-NE 3.29Å; C553-R574 PolarHBondContact O-NH2 2.78Å; F572-R574 HydrophobicContact CE1-CB 3.85Å; F572-R574 HydrophobicContact CE1-CG 4.26Å; R574-H583 HydrophobicContact CG-CB 4.29Å; R574-H583 PolarHBondContact N-O 3.09Å; R574-H583 PolarHBondContact O-N 3.33Å; R574-E594 IonicContact CZ-OE1 3.59Å; R574-E594 IonicContact NH1-OE1 3.67Å; R574-E594 PolarHBondContact NH1-OE1 3.21Å; R574-E594 VanDerWaalsContact NH1-OE1 3.14Å; R574-E594 IonicContact NH2-OE1 2.75Å; R574-E594 PolarHBondContact NH2-OE1 3.05Å; R574-V595 PolarHBondContact NH1-O 2.82Å; R574-V595 VanDerWaalsContact NH1-O 3.09Å; R574-L600 HydrophobicContact CG-CD1 3.62Å
575L94.6Very high80.8Confident1 Ų147.2 Ų47.21%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-82.7143.9170.4-173.964.8000109.8L549 L552 C553 H579 L582 V606 L668L549-L575 HydrophobicContact CD2-CD2 4.14Å; L552-L575 HydrophobicContact CB-CB 3.76Å; L552-L575 HydrophobicContact CB-CD2 4.02Å; L552-L575 HydrophobicContact CD1-CD2 4.25Å; L552-L575 PolarHBondContact O-N 3.06Å; C553-L575 WeakPolarHBondContact CA-O 3.28Å; L575-H579 HydrophobicContact CD2-CB 4Å; L575-L582 HydrophobicContact CB-CD2 4.1Å; L575-L582 HydrophobicContact CD1-CD2 3.91Å; L575-L582 HydrophobicContact CD1-CG 4.22Å; L575-V606 HydrophobicContact CD1-CG2 3.86Å; L575-L668 HydrophobicContact CD1-CD1 4.42Å; L575-L668 HydrophobicContact CD1-CD2 3.88Å; L575-L668 HydrophobicContact CD2-CD1 3.98Å; L575-L668 HydrophobicContact CD2-CD2 4.21Å
576S92.3Very high82.5Confident12 Ų1248.8 Ų48.88%0.08423%0.231CC..  trans-67.9148.3169.443.20000110.7N578 H579 V581S576-N578 PolarHBondContact O-N 2.89Å; S576-N578 PolarHBondContact OG-OD1 2.92Å; S576-H579 WeakPolarHBondContact O-CA 3.47Å; S576-H579 PolarHBondContact O-N 3.44Å; S576-V581 WeakPolarHBondContact CB-O 3.4Å; S576-V581 PolarHBondContact N-O 3.11Å; S576-V581 WeakPolarHBondContact OG-CA 3.42Å; S576-V581 PolarHBondContact OG-N 2.83Å; S576-V581 PolarHBondContact OG-O 2.93Å
577L90.6Very high83.6Confident143 Ų14345.6 Ų45.675%0.74922%0.221SC*.THydrogen-bonded Turntrans-58.6-19.1-177.6-64175.5000114.6C553 H579C553-L577 HydrophobicContact CB-CD2 4.13Å; L577-H579 VanDerWaalsContact C-N 3.33Å
578N92.8Very high84.3Confident97 Ų9744 Ų4452%0.51922%0.216SC..THydrogen-bonded Turntrans-901.4174.867.19.8000113.3S576 K580S576-N578 PolarHBondContact O-N 2.89Å; S576-N578 PolarHBondContact OG-OD1 2.92Å; N578-K580 VanDerWaalsContact C-N 3.27Å; N578-K580 WeakPolarHBondContact O-CG 3.36Å; N578-K580 PolarHBondContact O-N 3.29Å; N578-K580 WeakPolarHBondContact OD1-CB 3.36Å; N578-K580 PolarHBondContact OD1-N 3.45Å
579H94.9Very high84.8Confident61 Ų6148.5 Ų48.528%0.28224%0.238SC..SBendtrans60.526-178.6-50.6151.7000115C553 L575 S576 L577 L668C553-H579 PolarHBondContact SG-CD2 3.34Å; L575-H579 HydrophobicContact CD2-CB 4Å; S576-H579 WeakPolarHBondContact O-CA 3.47Å; S576-H579 PolarHBondContact O-N 3.44Å; L577-H579 VanDerWaalsContact C-N 3.33Å; H579-L668 HydrophobicContact CB-CD1 3.86Å
580K94.6Very high84.6Confident140 Ų14049.3 Ų49.361%0.60925%0.25SS*.SBendtrans-106.8-17.7-175.1-62.9-172.6179.5-177.10115N578 V606N578-K580 VanDerWaalsContact C-N 3.27Å; N578-K580 WeakPolarHBondContact O-CG 3.36Å; N578-K580 PolarHBondContact O-N 3.29Å; N578-K580 WeakPolarHBondContact OD1-CB 3.36Å; N578-K580 PolarHBondContact OD1-N 3.45Å; K580-V606 VanDerWaalsContact C-CG2 3.44Å; K580-V606 WeakPolarHBondContact O-CB 3.36Å; K580-V606 WeakPolarHBondContact O-CG2 3.39Å; K580-V606 PolarHBondContact O-N 3.35Å
581V94.5Very high83.9Confident36 Ų3650.1 Ų50.122%0.21826%0.259CS..EExtended strand (participates in β ladder)trans-141.7126.9-174.7-174.40000109.9S576 H583 K603 I604S576-V581 WeakPolarHBondContact CB-O 3.4Å; S576-V581 PolarHBondContact N-O 3.11Å; S576-V581 WeakPolarHBondContact OG-CA 3.42Å; S576-V581 PolarHBondContact OG-N 2.83Å; S576-V581 PolarHBondContact OG-O 2.93Å; V581-H583 PolarHBondContact O-CD2 3.4Å; V581-K603 HydrophobicContact CG1-CB 3.79Å; V581-K603 HydrophobicContact CG1-CD 4.4Å; V581-K603 HydrophobicContact CG1-CG 4.18Å; V581-I604 WeakPolarHBondContact CA-O 3.39Å
582L94.8Very high82.2Confident0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-82.9123.9164-75.2171.3000108.7L575 K603 I604 I609 W661 L665L575-L582 HydrophobicContact CB-CD2 4.1Å; L575-L582 HydrophobicContact CD1-CD2 3.91Å; L575-L582 HydrophobicContact CD1-CG 4.22Å; L582-K603 CarbonylContact O-C 3.47Å; L582-K603 VanDerWaalsContact O-CA 3.26Å; L582-K603 WeakPolarHBondContact O-CA 3.42Å; L582-I604 HydrophobicContact CB-CB 4.4Å; L582-I604 PolarHBondContact N-O 2.98Å; L582-I604 PolarHBondContact O-N 3.17Å; L582-I609 HydrophobicContact CD1-CD1 3.73Å; L582-W661 HydrophobicContact CD2-CZ3 4.34Å; L582-L665 HydrophobicContact CD1-CD2 3.98Å
583H92.9Very high81Confident21 Ų2161 Ų6110%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-102134.5174.7-67.8-95.4000109.3C573 R574 V581 L597 L600 D602C573-H583 CarbonylContact C-O 3.58Å; C573-H583 VanDerWaalsContact CA-O 3.28Å; C573-H583 WeakPolarHBondContact CA-O 3.35Å; R574-H583 HydrophobicContact CG-CB 4.29Å; R574-H583 PolarHBondContact N-O 3.09Å; R574-H583 PolarHBondContact O-N 3.33Å; V581-H583 PolarHBondContact O-CD2 3.4Å; H583-L597 HydrophobicContact CB-CD2 3.93Å; H583-L597 VanDerWaalsContact CD2-CD2 3.43Å; H583-L597 WeakPolarHBondContact CD2-CD2 3.38Å; H583-L600 HydrophobicContact CB-CB 3.92Å; H583-L600 HydrophobicContact CB-CD1 3.82Å; H583-D602 CarbonylContact C-O 3.6Å; H583-D602 VanDerWaalsContact CA-O 3.3Å; H583-D602 WeakPolarHBondContact CA-O 3.32Å
584Y92.2Very high79.6Confident27 Ų2768.1 Ų68.111%0.10636%0.359CS..EExtended strand (participates in β ladder)trans-146.3165.6175.366.8-77.7000112.4W571 F572 L600 T601 D602 I604 L648W571-Y584 HydrophobicContact CE3-CD2 4.1Å; W571-Y584 HydrophobicContact CE3-CG 4.4Å; W571-Y584 AromaticContact CZ3-CD2 3.96Å; W571-Y584 HydrophobicContact CZ3-CD2 3.96Å; W571-Y584 HydrophobicContact CZ3-CG 4.04Å; F572-Y584 CarbonylContact O-C 3.52Å; F572-Y584 WeakPolarHBondContact O-CA 3.31Å; F572-Y584 VanDerWaalsContact O-CB 3.29Å; F572-Y584 WeakPolarHBondContact O-CB 3.11Å; Y584-L600 CarbonylContact O-C 3.52Å; Y584-L600 WeakPolarHBondContact O-CA 3.4Å; Y584-T601 PolarHBondContact O-N 3.13Å; Y584-D602 HydrophobicContact CD1-CB 3.72Å; Y584-D602 HydrophobicContact CD2-CB 3.68Å; Y584-D602 HydrophobicContact CE1-CB 3.44Å; Y584-D602 VanDerWaalsContact CE1-CB 3.44Å; Y584-D602 HydrophobicContact CE2-CB 3.41Å; Y584-D602 VanDerWaalsContact CE2-CB 3.41Å; Y584-D602 WeakPolarHBondContact CE2-OD2 3.5Å; Y584-D602 HydrophobicContact CG-CB 3.83Å; Y584-D602 PolarHBondContact N-O 3.21Å; Y584-D602 WeakPolarHBondContact O-CA 3.45Å; Y584-D602 VanDerWaalsContact O-CB 3.25Å; Y584-D602 WeakPolarHBondContact O-CB 3.45Å; Y584-D602 PolarHBondContact O-N 3.16Å; Y584-I604 HydrophobicContact CD1-CD1 4.29Å; Y584-I604 HydrophobicContact CE1-CD1 3.61Å; Y584-I604 HydrophobicContact CE1-CG1 3.87Å; Y584-L648 HydrophobicContact CD1-CD2 4.02Å; Y584-L648 HydrophobicContact CD2-CD1 3.91Å; Y584-L648 HydrophobicContact CD2-CD2 4.5Å; Y584-L648 HydrophobicContact CE1-CD2 4.21Å; Y584-L648 HydrophobicContact CE2-CD1 3.7Å; Y584-L648 HydrophobicContact CG-CD1 4.41Å; Y584-L648 HydrophobicContact CG-CD2 4.18Å
585G87.2Confident78.7Confident1 Ų167.6 Ų67.61%0.0136%0.358CS..EExtended strand (participates in β ladder)trans177.9163.8179.400000111.8W571 F572W571-G585 CarbonylContact C-O 3.58Å; W571-G585 VanDerWaalsContact CA-O 3.22Å; W571-G585 WeakPolarHBondContact CA-O 3.13Å; W571-G585 WeakPolarHBondContact CB-O 3.39Å; F572-G585 PolarHBondContact N-O 3.37Å; F572-G585 PolarHBondContact O-N 3.28Å
586D83.4Confident77.7Confident76 Ų7670.7 Ų70.741%0.40638%0.378SS..EExtended strand (participates in β ladder)trans-76.7145.4178.5-69.6-5.7000111.3K560K560-D586 WeakPolarHBondContact CE-OD1 3.42Å; K560-D586 IonicContact NZ-OD1 3.46Å; K560-D586 PolarHBondContact NZ-OD1 3.3Å; K560-D586 IonicContact NZ-OD2 2.68Å; K560-D586 PolarHBondContact NZ-OD2 3.2Å
587L69.9Low76.8Confident19 Ų1973.7 Ų73.710%0.09939%0.393CS..EExtended strand (participates in β ladder)trans-120.4134.3172.4-63.6-175.6000109.8F570 F572 P591 V595F570-L587 HydrophobicContact CB-CB 4.13Å; F570-L587 PolarHBondContact N-O 3.25Å; F570-L587 PolarHBondContact O-N 3.48Å; F570-L587 VanDerWaalsContact O-O 3.09Å; F572-L587 HydrophobicContact CB-CD1 3.63Å; F572-L587 HydrophobicContact CB-CG 3.94Å; F572-L587 HydrophobicContact CD2-CD1 4.22Å; F572-L587 HydrophobicContact CG-CD1 4.25Å; L587-P591 HydrophobicContact CD1-CB 4.15Å; L587-P591 HydrophobicContact CD1-CG 3.62Å; L587-V595 HydrophobicContact CD1-CG2 4.2Å; L587-V595 HydrophobicContact CD2-CG1 4.21Å
588D58.3Low75.9Confident95 Ų9575.4 Ų75.451%0.50840%0.397SS..SBendtrans-77.1-23.8178.2-66.1-39.8000112.7
589E57.2Low75Confident156 Ų15675.7 Ų75.773%0.72940%0.398SS*.SBendtrans-142.4161.2175.6-68.4-170.117100111.6
590S55.6Low74.4Confident72 Ų7272.9 Ų72.950%0.50339%0.385SS..  trans-61.7122.1172.567.50000110Q592S590-Q592 PolarHBondContact O-N 3.05Å
591P59.4Low73.7Confident50 Ų5070.9 Ų70.933%0.32539%0.385SS..  trans-68.2129.6-171.825.4-31.1000111F572 L587 G593 V595F572-P591 HydrophobicContact CD2-CG 4.43Å; L587-P591 HydrophobicContact CD1-CB 4.15Å; L587-P591 HydrophobicContact CD1-CG 3.62Å; P591-G593 PolarHBondContact O-N 3.48Å; P591-V595 HydrophobicContact CB-CG2 3.56Å; P591-V595 HydrophobicContact CG-CG2 3.74Å
592Q48.7Very low73.4Confident200 Ų20070.7 Ų70.794%0.93538%0.382SS*.SBendtrans-92.473.9169.9-67.7178.110.200109.2S590S590-Q592 PolarHBondContact O-N 3.05Å
593G61.2Low73.3Confident58 Ų5876.9 Ų76.960%0.59841%0.409SS*.SBendtrans128.5-166.7179.500000113.6P591P591-G593 PolarHBondContact O-N 3.48Å
594E63.6Low73.3Confident149 Ų14976 Ų7670%0.69641%0.405SS*.PPolyproline II helixtrans-72.6130.5-177.8-151-173.9164.800110.9R574 P596R574-E594 IonicContact CZ-OE1 3.59Å; R574-E594 IonicContact NH1-OE1 3.67Å; R574-E594 PolarHBondContact NH1-OE1 3.21Å; R574-E594 VanDerWaalsContact NH1-OE1 3.14Å; R574-E594 IonicContact NH2-OE1 2.75Å; R574-E594 PolarHBondContact NH2-OE1 3.05Å; E594-P596 WeakPolarHBondContact O-CD 3.09Å
595V74.6Confident73.4Confident5 Ų577 Ų773%0.0342%0.415CS..PPolyproline II helixtrans-84.5118.1179-178.70000109.3F572 R574 L587 P591 L599 L600F572-V595 HydrophobicContact CD1-CB 3.94Å; F572-V595 HydrophobicContact CD1-CG1 4.14Å; F572-V595 HydrophobicContact CD1-CG2 4.15Å; F572-V595 HydrophobicContact CD2-CG2 3.86Å; F572-V595 HydrophobicContact CE1-CB 3.85Å; F572-V595 HydrophobicContact CE1-CG1 4.5Å; F572-V595 HydrophobicContact CE1-CG2 4.14Å; F572-V595 HydrophobicContact CE2-CB 4.49Å; F572-V595 HydrophobicContact CE2-CG2 3.89Å; F572-V595 HydrophobicContact CG-CB 4.27Å; F572-V595 HydrophobicContact CG-CG1 4.42Å; F572-V595 HydrophobicContact CG-CG2 4Å; F572-V595 HydrophobicContact CZ-CB 4.15Å; F572-V595 HydrophobicContact CZ-CG2 4.02Å; R574-V595 PolarHBondContact NH1-O 2.82Å; R574-V595 VanDerWaalsContact NH1-O 3.09Å; L587-V595 HydrophobicContact CD1-CG2 4.2Å; L587-V595 HydrophobicContact CD2-CG1 4.21Å; P591-V595 HydrophobicContact CB-CG2 3.56Å; P591-V595 HydrophobicContact CG-CG2 3.74Å; V595-L599 HydrophobicContact CG1-CB 4.36Å; V595-L599 HydrophobicContact CG1-CD1 4.31Å; V595-L600 HydrophobicContact CG1-CD2 4.11Å; V595-L600 HydrophobicContact CG1-CG 4.38Å
596P74.1Confident73.7Confident66 Ų6677.9 Ų77.943%0.42942%0.42SS..PPolyproline II helixtrans-60.2139.7175.8-24.234.2000112.2E594 E598 L599E594-P596 WeakPolarHBondContact O-CD 3.09Å; P596-E598 PolarHBondContact O-N 3.35Å; P596-E598 VanDerWaalsContact O-N 3.09Å; P596-L599 HydrophobicContact CG-CD1 4.45Å; P596-L599 PolarHBondContact O-N 3.24Å; P596-L599 VanDerWaalsContact O-N 3.08Å
597L71.7Confident74.1Confident76 Ų7679.1 Ų79.140%0.39844%0.435SS..G310 helixtrans-55.8-26.1176-87.8146.5000113.4H583 L599 L600H583-L597 HydrophobicContact CB-CD2 3.93Å; H583-L597 VanDerWaalsContact CD2-CD2 3.43Å; H583-L597 WeakPolarHBondContact CD2-CD2 3.38Å; L597-L599 VanDerWaalsContact C-N 3.27Å; L597-L599 PolarHBondContact O-N 2.84Å; L597-L600 PolarHBondContact O-N 3.48Å; L597-L600 VanDerWaalsContact O-N 3.16Å
598E72.5Confident75.2Confident179 Ų17981.9 Ų81.984%0.83645%0.449SS*.G310 helixtrans-67.9-25.6-179.8-66.1162.2-176.900112.9P596 L600P596-E598 PolarHBondContact O-N 3.35Å; P596-E598 VanDerWaalsContact O-N 3.09Å; E598-L600 VanDerWaalsContact C-N 3.31Å
599L74.3Confident76.9Confident102 Ų10278 Ų7853%0.53443%0.429SS..G310 helixtrans-79.3-16.1174.1-64.4176.6000112.6V595 P596 L597 T601V595-L599 HydrophobicContact CG1-CB 4.36Å; V595-L599 HydrophobicContact CG1-CD1 4.31Å; P596-L599 HydrophobicContact CG-CD1 4.45Å; P596-L599 PolarHBondContact O-N 3.24Å; P596-L599 VanDerWaalsContact O-N 3.08Å; L597-L599 VanDerWaalsContact C-N 3.27Å; L597-L599 PolarHBondContact O-N 2.84Å; L599-T601 PolarHBondContact O-N 3.19Å
600L82.9Confident78.5Confident2 Ų275.8 Ų75.81%0.0142%0.417CS..  trans-96.285-177.8-54.5178.8000109.3F572 R574 H583 Y584 V595 L597 E598 D602F572-L600 HydrophobicContact CB-CD2 4Å; F572-L600 HydrophobicContact CD1-CD1 3.91Å; F572-L600 HydrophobicContact CD1-CD2 3.98Å; F572-L600 HydrophobicContact CE1-CD1 4.41Å; F572-L600 HydrophobicContact CG-CD2 4.47Å; R574-L600 HydrophobicContact CG-CD1 3.62Å; H583-L600 HydrophobicContact CB-CB 3.92Å; H583-L600 HydrophobicContact CB-CD1 3.82Å; Y584-L600 CarbonylContact O-C 3.52Å; Y584-L600 WeakPolarHBondContact O-CA 3.4Å; V595-L600 HydrophobicContact CG1-CD2 4.11Å; V595-L600 HydrophobicContact CG1-CG 4.38Å; L597-L600 PolarHBondContact O-N 3.48Å; L597-L600 VanDerWaalsContact O-N 3.16Å; E598-L600 VanDerWaalsContact C-N 3.31Å; L600-D602 PolarHBondContact O-N 2.91Å
601T79.3Confident80.2Confident99 Ų9973.8 Ų73.861%0.60740%0.402SS*.  trans-66.8-23.1-174.454.10000113Y584 L599Y584-T601 PolarHBondContact O-N 3.13Å; L599-T601 PolarHBondContact O-N 3.19Å
602D88.1Confident81.8Confident32 Ų3272.5 Ų72.517%0.17139%0.394CS..EExtended strand (participates in β ladder)trans-103.1141.6-168.2-57.3-22000111.8K70 H583 Y584 L600K70-D602 VanDerWaalsContact CD-OD1 3.3Å; K70-D602 WeakPolarHBondContact CD-OD1 3.25Å; K70-D602 WeakPolarHBondContact CE-OD1 3.02Å; K70-D602 IonicContact NZ-OD1 3.84Å; K70-D602 PolarHBondContact NZ-OD1 3.14Å; K70-D602 IonicContact NZ-OD2 2.92Å; K70-D602 PolarHBondContact NZ-OD2 3.26Å; H583-D602 CarbonylContact C-O 3.6Å; H583-D602 VanDerWaalsContact CA-O 3.3Å; H583-D602 WeakPolarHBondContact CA-O 3.32Å; Y584-D602 HydrophobicContact CD1-CB 3.72Å; Y584-D602 HydrophobicContact CD2-CB 3.68Å; Y584-D602 HydrophobicContact CE1-CB 3.44Å; Y584-D602 VanDerWaalsContact CE1-CB 3.44Å; Y584-D602 HydrophobicContact CE2-CB 3.41Å; Y584-D602 VanDerWaalsContact CE2-CB 3.41Å; Y584-D602 WeakPolarHBondContact CE2-OD2 3.5Å; Y584-D602 HydrophobicContact CG-CB 3.83Å; Y584-D602 PolarHBondContact N-O 3.21Å; Y584-D602 WeakPolarHBondContact O-CA 3.45Å; Y584-D602 VanDerWaalsContact O-CB 3.25Å; Y584-D602 WeakPolarHBondContact O-CB 3.45Å; Y584-D602 PolarHBondContact O-N 3.16Å; L600-D602 PolarHBondContact O-N 2.91Å
603K92Very high84Confident129 Ų12964.5 Ų64.556%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-141.2132.4-170.7-60-178.4-169.7175.70111.1V581 L582V581-K603 HydrophobicContact CG1-CB 3.79Å; V581-K603 HydrophobicContact CG1-CD 4.4Å; V581-K603 HydrophobicContact CG1-CG 4.18Å; L582-K603 CarbonylContact O-C 3.47Å; L582-K603 VanDerWaalsContact O-CA 3.26Å; L582-K603 WeakPolarHBondContact O-CA 3.42Å
604I93.3Very high85.5Confident3 Ų364.4 Ų64.42%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-119.8115168.9-67155.3000107.7V581 L582 Y584 V606 I609 Y642 L648V581-I604 WeakPolarHBondContact CA-O 3.39Å; L582-I604 HydrophobicContact CB-CB 4.4Å; L582-I604 PolarHBondContact N-O 2.98Å; L582-I604 PolarHBondContact O-N 3.17Å; Y584-I604 HydrophobicContact CD1-CD1 4.29Å; Y584-I604 HydrophobicContact CE1-CD1 3.61Å; Y584-I604 HydrophobicContact CE1-CG1 3.87Å; I604-V606 PolarHBondContact O-N 3.46Å; I604-I609 HydrophobicContact CG2-CD1 4.45Å; I604-I609 HydrophobicContact CG2-CG1 3.89Å; I604-Y642 HydrophobicContact CD1-CD1 3.72Å; I604-Y642 HydrophobicContact CD1-CE1 3.5Å; I604-Y642 VanDerWaalsContact CD1-CE1 3.5Å; I604-Y642 HydrophobicContact CD1-CG 4.43Å; I604-Y642 HydrophobicContact CG1-CD1 4.09Å; I604-Y642 HydrophobicContact CG1-CD2 4.43Å; I604-Y642 HydrophobicContact CG1-CE1 3.96Å; I604-Y642 HydrophobicContact CG1-CE2 4.33Å; I604-Y642 HydrophobicContact CG1-CG 4.33Å; I604-Y642 HydrophobicContact CG2-CD1 4.22Å; I604-Y642 HydrophobicContact CG2-CD2 4.39Å; I604-Y642 HydrophobicContact CG2-CG 3.95Å; I604-L648 HydrophobicContact CD1-CB 3.9Å; I604-L648 HydrophobicContact CD1-CD2 3.63Å; I604-L648 HydrophobicContact CD1-CG 4.32Å
605P93.9Very high86.7Confident49 Ų4957.8 Ų57.832%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-59.7132.2168.5-20.833.7000109.9S607 D608P605-S607 PolarHBondContact O-N 2.78Å; P605-D608 HydrophobicContact CB-CB 4.49Å; P605-D608 WeakPolarHBondContact CB-OD2 3.48Å; P605-D608 WeakPolarHBondContact CD-OD2 3.37Å; P605-D608 VanDerWaalsContact CG-OD2 3.26Å; P605-D608 WeakPolarHBondContact CG-OD2 3.36Å; P605-D608 WeakPolarHBondContact O-CB 3.43Å; P605-D608 PolarHBondContact O-N 2.9Å
606V93.4Very high87.3Confident18 Ų1864.3 Ų64.311%0.10935%0.346CS..G310 helixtrans-62-29.7-179.3171.90000111.4L575 K580 I604 D608 I609 L668L575-V606 HydrophobicContact CD1-CG2 3.86Å; K580-V606 VanDerWaalsContact C-CG2 3.44Å; K580-V606 WeakPolarHBondContact O-CB 3.36Å; K580-V606 WeakPolarHBondContact O-CG2 3.39Å; K580-V606 PolarHBondContact O-N 3.35Å; I604-V606 PolarHBondContact O-N 3.46Å; V606-D608 PolarHBondContact O-N 3.39Å; V606-I609 HydrophobicContact CB-CD1 4.5Å; V606-I609 HydrophobicContact CG2-CD1 4.42Å; V606-I609 PolarHBondContact O-N 3.13Å; V606-L668 HydrophobicContact CB-CD2 4.45Å; V606-L668 HydrophobicContact CG1-CD1 4.02Å; V606-L668 HydrophobicContact CG1-CD2 3.78Å; V606-L668 HydrophobicContact CG1-CG 3.61Å; V606-L668 HydrophobicContact CG2-CD2 3.74Å; V606-L668 HydrophobicContact CG2-CG 4.36Å
607S92.6Very high88Confident102 Ų10265.5 Ų65.571%0.71335%0.349SS*.G310 helixtrans-59.4-24.3173.352.50000114.1P605P605-S607 PolarHBondContact O-N 2.78Å
608D92.8Very high88.8Confident77 Ų7761.9 Ų61.941%0.41233%0.33SS..G310 helixtrans-92.1-13.9-173.6-56.4-4.7000110.7P605 V606 K610 Y642P605-D608 HydrophobicContact CB-CB 4.49Å; P605-D608 WeakPolarHBondContact CB-OD2 3.48Å; P605-D608 WeakPolarHBondContact CD-OD2 3.37Å; P605-D608 VanDerWaalsContact CG-OD2 3.26Å; P605-D608 WeakPolarHBondContact CG-OD2 3.36Å; P605-D608 WeakPolarHBondContact O-CB 3.43Å; P605-D608 PolarHBondContact O-N 2.9Å; V606-D608 PolarHBondContact O-N 3.39Å; D608-K610 PolarHBondContact O-N 2.87Å; D608-Y642 CarbonylContact O-C 3.52Å; D608-Y642 VanDerWaalsContact O-CA 3.25Å; D608-Y642 WeakPolarHBondContact O-CA 3.44Å
609I93.7Very high89.5Confident14 Ų1455.6 Ų55.67%0.07230%0.304CS..  trans-68.6118.9177.7-58.4174000109.9L582 I604 V606 V640 L669L582-I609 HydrophobicContact CD1-CD1 3.73Å; I604-I609 HydrophobicContact CG2-CD1 4.45Å; I604-I609 HydrophobicContact CG2-CG1 3.89Å; V606-I609 HydrophobicContact CB-CD1 4.5Å; V606-I609 HydrophobicContact CG2-CD1 4.42Å; V606-I609 PolarHBondContact O-N 3.13Å; I609-V640 HydrophobicContact CB-CG1 4.26Å; I609-V640 HydrophobicContact CD1-CG1 3.92Å; I609-V640 HydrophobicContact CG1-CG1 3.74Å; I609-V640 HydrophobicContact CG2-CG1 3.65Å; I609-L669 HydrophobicContact CB-CD2 3.95Å; I609-L669 HydrophobicContact CG2-CD1 3.83Å; I609-L669 HydrophobicContact CG2-CD2 3.8Å; I609-L669 HydrophobicContact CG2-CG 4.36Å
610K90.7Very high89.9Confident110 Ų11052.7 Ų52.748%0.47829%0.288SS..  trans-88.3-43.1178.9-60.5177.8-176.8170.40111.8D608 L641 Y642 R671D608-K610 PolarHBondContact O-N 2.87Å; K610-L641 WeakPolarHBondContact CB-O 3.41Å; K610-L641 PolarHBondContact N-O 3.36Å; K610-Y642 WeakPolarHBondContact CE-O 3.3Å; K610-R671 PolarHBondContact O-NH2 3.23Å
611S91.6Very high89.8Confident29 Ų2953.3 Ų53.320%0.20329%0.291CS..EExtended strand (participates in β ladder)trans-164.5156.8-178.356.50000112.5L641S611-L641 PolarHBondContact N-O 3.45Å; S611-L641 PolarHBondContact O-N 3.42Å
612V94Very high89.4Confident23 Ų2355 Ų5514%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-105.8131.1164.3-175.10000108.4F638 S639 V640 L665 L669V612-F638 HydrophobicContact CG1-CD2 4.36Å; V612-S639 CarbonylContact C-O 3.52Å; V612-S639 VanDerWaalsContact CA-O 3.29Å; V612-S639 WeakPolarHBondContact CA-O 3.5Å; V612-V640 HydrophobicContact CG2-CG2 4.28Å; V612-L665 HydrophobicContact CG1-CD1 4.32Å; V612-L665 HydrophobicContact CG2-CB 3.8Å; V612-L665 HydrophobicContact CG2-CD1 4.09Å; V612-L665 HydrophobicContact CG2-CG 4.48Å; V612-L669 HydrophobicContact CG2-CD1 4.02Å
613V93.7Very high88.1Confident32 Ų3260.2 Ų60.219%0.19431%0.313CS..EExtended strand (participates in β ladder)trans-117156175.1-640000109.7D617 C618 F638 S639 L641V613-D617 HydrophobicContact CB-CB 4.16Å; V613-C618 PolarHBondContact O-SG 3.38Å; V613-F638 CarbonylContact O-C 3.51Å; V613-F638 WeakPolarHBondContact O-CA 3.49Å; V613-F638 WeakPolarHBondContact O-CB 3.48Å; V613-S639 PolarHBondContact N-O 3Å; V613-S639 PolarHBondContact O-N 3.28Å; V613-L641 HydrophobicContact CG1-CD1 3.88Å; V613-L641 HydrophobicContact CG1-CG 4.49Å; V613-L641 HydrophobicContact CG2-CD1 4.21Å; V613-L641 HydrophobicContact CG2-CD2 4.24Å; V613-L641 HydrophobicContact CG2-CG 4.22Å
614T93.3Very high85.8Confident57 Ų5763.5 Ų63.535%0.3533%0.327SS..EExtended strand (participates in β ladder)trans-132.2156.3-175.961.20000112.1K616 D617 A637 F638 Y658 T662T614-K616 PolarHBondContact O-N 2.92Å; T614-D617 PolarHBondContact O-N 3.42Å; T614-A637 WeakPolarHBondContact CA-O 3.43Å; T614-F638 HydrophobicContact CG2-CB 3.92Å; T614-Y658 WeakPolarHBondContact CB-OH 3.49Å; T614-Y658 HydrophobicContact CG2-CE2 4.4Å; T614-Y658 WeakPolarHBondContact CG2-OH 3.44Å; T614-T662 HydrophobicContact CG2-CG2 4.08Å
615G88.8Confident83.5Confident9 Ų967.8 Ų67.89%0.09336%0.358CS..G310 helixtrans48.9-123.7178.200000115.1D617 C618 M621 L634 A637G615-D617 PolarHBondContact O-N 2.84Å; G615-D617 VanDerWaalsContact O-N 3.11Å; G615-C618 WeakPolarHBondContact O-CB 3.19Å; G615-C618 PolarHBondContact O-N 3.47Å; G615-C618 PolarHBondContact O-SG 3.37Å; G615-M621 WeakPolarHBondContact O-CB 3.23Å; G615-L634 WeakPolarHBondContact CA-O 3.32Å; G615-A637 PolarHBondContact N-O 3.06Å
616K86.9Confident81.1Confident142 Ų14267.8 Ų67.862%0.61736%0.362SS*.G310 helixtrans-61.1-21.1-175.865.6-179.1-178.5-179.20114.4T614 C618 L634T614-K616 PolarHBondContact O-N 2.92Å; K616-C618 VanDerWaalsContact C-N 3.28Å; K616-L634 HydrophobicContact CB-CD1 4.38Å; K616-L634 HydrophobicContact CB-CD2 4.31Å
617D88.3Confident78.7Confident92 Ų9272 Ų7249%0.49238%0.383SS..G310 helixtrans-81.7-14.7-178.8-62.9-42.5000111.7V613 T614 G615 K622V613-D617 HydrophobicContact CB-CB 4.16Å; T614-D617 PolarHBondContact O-N 3.42Å; G615-D617 PolarHBondContact O-N 2.84Å; G615-D617 VanDerWaalsContact O-N 3.11Å; D617-K622 WeakPolarHBondContact O-CE 3.37Å
618C89.2Confident76.5Confident0 Ų076.2 Ų76.20%039%0.389CS..SBendtrans-62.5131.8172.5-67.90000111.8V613 G615 K616 H620 M621 F638 S639V613-C618 PolarHBondContact O-SG 3.38Å; G615-C618 WeakPolarHBondContact O-CB 3.19Å; G615-C618 PolarHBondContact O-N 3.47Å; G615-C618 PolarHBondContact O-SG 3.37Å; K616-C618 VanDerWaalsContact C-N 3.28Å; C618-H620 VanDerWaalsContact C-N 3.26Å; C618-H620 VanDerWaalsContact CB-CE1 3.4Å; C618-H620 WeakPolarHBondContact CB-CE1 3.44Å; C618-H620 WeakPolarHBondContact CB-ND1 3.28Å; C618-H620 PolarHBondContact O-N 2.69Å; C618-M621 HydrophobicContact CB-CB 4.16Å; C618-M621 HydrophobicContact CB-CG 3.97Å; C618-M621 PolarHBondContact O-N 3.49Å; C618-F638 VanDerWaalsContact SG-C 3.53Å; C618-F638 WeakPolarHBondContact SG-CA 3.44Å; C618-S639 WeakPolarHBondContact CB-OG 3.32Å; C618-S639 PolarHBondContact SG-OG 3.06Å
619P86.8Confident74.3Confident46 Ų4680.4 Ų80.430%0.29941%0.406SS..G310 helixtrans-53.6-41.6179.8-28.536.4000113.7M621 K622 L641 N647P619-M621 PolarHBondContact O-N 3.41Å; P619-K622 PolarHBondContact O-N 3.07Å; P619-L641 HydrophobicContact CG-CD2 4.06Å; P619-N647 HydrophobicContact CG-CB 4.34Å
620H82.4Confident72.7Confident41 Ų4182.4 Ų82.419%0.1942%0.417CS..G310 helixtrans-72.5-4.3-179.867.8-77.1000114.7L561 C618 S639 N649L561-H620 VanDerWaalsContact CD1-CD2 3.5Å; L561-H620 WeakPolarHBondContact CD1-CD2 3.43Å; C618-H620 VanDerWaalsContact C-N 3.26Å; C618-H620 VanDerWaalsContact CB-CE1 3.4Å; C618-H620 WeakPolarHBondContact CB-CE1 3.44Å; C618-H620 WeakPolarHBondContact CB-ND1 3.28Å; C618-H620 PolarHBondContact O-N 2.69Å; H620-S639 PolarHBondContact CE1-OG 3.47Å; H620-S639 VanDerWaalsContact CE1-OG 3.28Å; H620-S639 PolarHBondContact ND1-OG 3.45Å; H620-N649 HydrophobicContact CB-CB 4.32Å; H620-N649 WeakPolarHBondContact ND1-CB 3.47Å; H620-N649 PolarHBondContact ND1-OD1 2.97Å
621M81.4Confident71.6Confident15 Ų1585.2 Ų85.27%0.07443%0.429CS..G310 helixtrans-107.1-0.4178.7-68-70137.400113.2L561 G615 C618 P619 V633 L634 A637 V651L561-M621 HydrophobicContact CD1-CE 3.9Å; G615-M621 WeakPolarHBondContact O-CB 3.23Å; C618-M621 HydrophobicContact CB-CB 4.16Å; C618-M621 HydrophobicContact CB-CG 3.97Å; C618-M621 PolarHBondContact O-N 3.49Å; P619-M621 PolarHBondContact O-N 3.41Å; M621-V633 HydrophobicContact CE-CG1 3.85Å; M621-V633 HydrophobicContact SD-CG1 4.49Å; M621-L634 HydrophobicContact CB-CD1 4.07Å; M621-L634 HydrophobicContact CG-CD1 4.32Å; M621-L634 HydrophobicContact SD-CD1 4.14Å; M621-A637 HydrophobicContact CE-CB 4.13Å; M621-A637 HydrophobicContact CG-CB 3.89Å; M621-A637 HydrophobicContact SD-CB 4.23Å; M621-V651 HydrophobicContact CE-CG2 4.34Å
622K71.8Confident70.4Confident135 Ų13587.5 Ų87.559%0.58744%0.436SS*.  trans-84.4-10.1-175.5-70.2179.6-177.5174.90114.7D617 P619D617-K622 WeakPolarHBondContact O-CE 3.37Å; P619-K622 PolarHBondContact O-N 3.07Å
623E59.8Low69.5Low141 Ų14187.5 Ų87.566%0.65944%0.437SS*.SBendtrans-77.2136.6-178.9-71.4-167.7164.800113.6S625 A626E623-S625 PolarHBondContact O-N 3.22Å; E623-S625 VanDerWaalsContact O-N 3.13Å; E623-A626 PolarHBondContact O-N 3.3Å
624K44Very low69Low198 Ų19888.2 Ų88.286%0.86144%0.439SS*.THydrogen-bonded Turntrans-65.8-13.6-172.2-76.4-178.6176.8176.20115.3
625S45.3Very low68.7Low93 Ų9391.1 Ų91.165%0.6545%0.448SS*.THydrogen-bonded Turntrans-86.8-30.6179.648.60000113.4E623E623-S625 PolarHBondContact O-N 3.22Å; E623-S625 VanDerWaalsContact O-N 3.13Å
626A42.9Very low68.7Low50 Ų5092.6 Ų92.641%0.41345%0.454SS..G310 helixtrans-79-29.2-178.500000113.4E623 K628 Q629E623-A626 PolarHBondContact O-N 3.3Å; A626-K628 PolarHBondContact O-N 3.04Å; A626-K628 VanDerWaalsContact O-N 3.17Å; A626-Q629 PolarHBondContact O-N 3.47Å
627L43.2Very low68.8Low105 Ų10585.8 Ų85.855%0.5543%0.425SS..G310 helixtrans-68.5-13-174.5-77.7157.5000115L634L627-L634 HydrophobicContact CD2-CD1 4.24Å
628K46.5Very low69.1Low192 Ų19281.4 Ų81.484%0.83540%0.401SS*.G310 helixtrans-93.7-9.5-179.4-85.5-171.3176.2-175.60114.7A626A626-K628 PolarHBondContact O-N 3.04Å; A626-K628 VanDerWaalsContact O-N 3.17Å
629Q46.4Very low69.3Low164 Ų16481.4 Ų81.477%0.76640%0.401SS*.THydrogen-bonded Turntrans-125.5-18-170.2-79.1-174.6-15.500117.6A626A626-Q629 PolarHBondContact O-N 3.47Å
630N59.9Low69.8Low57 Ų5779.2 Ų79.231%0.30539%0.387SS..  trans-147.284.3-179.5-83.8-34.6000113.5E432 E632 V633E432-N630 PolarHBondContact OE2-ND2 3.41Å; N630-E632 PolarHBondContact O-N 2.85Å; N630-V633 HydrophobicContact CB-CB 4.07Å; N630-V633 HydrophobicContact CB-CG2 3.76Å; N630-V633 PolarHBondContact O-N 3.13Å
631K67.3Low70.3Confident168 Ų16879.4 Ų79.473%0.7339%0.389SS*.Hα-helixtrans-56.6-30.3174.7-175.4-177.8171.5-167.20112.6L634 E635K631-L634 VanDerWaalsContact O-CB 3.29Å; K631-L634 WeakPolarHBondContact O-CB 3.4Å; K631-E635 PolarHBondContact O-N 3.27Å
632E66.8Low70.6Confident77 Ų7780.4 Ų80.436%0.3639%0.392SS..Hα-helixtrans-80.4-34.5-174.9-59-179151.700113.9N431 N630 L634 E635 L636N431-E632 VanDerWaalsContact CB-OE2 3.27Å; N431-E632 WeakPolarHBondContact CB-OE2 3.28Å; N431-E632 PolarHBondContact ND2-OE1 3.15Å; N431-E632 PolarHBondContact ND2-OE2 2.81Å; N630-E632 PolarHBondContact O-N 2.85Å; E632-L634 PolarHBondContact O-N 3.26Å; E632-E635 WeakPolarHBondContact O-CB 3.44Å; E632-E635 PolarHBondContact O-N 2.81Å; E632-L636 PolarHBondContact O-N 3.47Å
633V75.7Confident71.1Confident24 Ų2477.3 Ų77.315%0.14538%0.382CS..Hα-helixtrans-60-35.8172.6173.40000109.7L561 M621 N630 E635 L636 A637 V651L561-V633 HydrophobicContact CD2-CG1 4.41Å; M621-V633 HydrophobicContact CE-CG1 3.85Å; M621-V633 HydrophobicContact SD-CG1 4.49Å; N630-V633 HydrophobicContact CB-CB 4.07Å; N630-V633 HydrophobicContact CB-CG2 3.76Å; N630-V633 PolarHBondContact O-N 3.13Å; V633-E635 VanDerWaalsContact C-N 3.3Å; V633-E635 PolarHBondContact O-N 2.75Å; V633-L636 PolarHBondContact O-N 2.89Å; V633-A637 WeakPolarHBondContact O-CB 3.39Å; V633-A637 PolarHBondContact O-N 3.25Å; V633-V651 HydrophobicContact CG1-CG1 4.01Å; V633-V651 HydrophobicContact CG1-CG2 4.18Å
634L82.7Confident71.6Confident46 Ų4675.5 Ų75.524%0.24138%0.382CS..Hα-helixtrans-62.8-35.2173.7-159.1105.9000112.2G615 K616 M621 L627 K631 E632 L636G615-L634 WeakPolarHBondContact CA-O 3.32Å; K616-L634 HydrophobicContact CB-CD1 4.38Å; K616-L634 HydrophobicContact CB-CD2 4.31Å; M621-L634 HydrophobicContact CB-CD1 4.07Å; M621-L634 HydrophobicContact CG-CD1 4.32Å; M621-L634 HydrophobicContact SD-CD1 4.14Å; L627-L634 HydrophobicContact CD2-CD1 4.24Å; K631-L634 VanDerWaalsContact O-CB 3.29Å; K631-L634 WeakPolarHBondContact O-CB 3.4Å; E632-L634 PolarHBondContact O-N 3.26Å; L634-L636 VanDerWaalsContact C-N 3.26Å; L634-L636 PolarHBondContact O-N 3.36Å
635E85.8Confident73Confident118 Ų11873.1 Ų73.155%0.55138%0.379SS*.Hα-helixtrans-74.3-18.4178.3-66.8-176.3-177.200112.9K631 E632 V633K631-E635 PolarHBondContact O-N 3.27Å; E632-E635 WeakPolarHBondContact O-CB 3.44Å; E632-E635 PolarHBondContact O-N 2.81Å; V633-E635 VanDerWaalsContact C-N 3.3Å; V633-E635 PolarHBondContact O-N 2.75Å
636L88.9Confident74.6Confident40 Ų4073.3 Ų73.321%0.20937%0.37CS..Hα-helixtrans-104.3-3.4178.8-60.8179.1000113.7E632 V633 L634 V651 A652 K655 Y658E632-L636 PolarHBondContact O-N 3.47Å; V633-L636 PolarHBondContact O-N 2.89Å; L634-L636 VanDerWaalsContact C-N 3.26Å; L634-L636 PolarHBondContact O-N 3.36Å; L636-V651 HydrophobicContact CB-CG1 4.34Å; L636-A652 HydrophobicContact CB-CB 4.36Å; L636-A652 PolarHBondContact O-N 2.97Å; L636-K655 HydrophobicContact CD2-CB 4.28Å; L636-Y658 WeakPolarHBondContact O-CD2 3.42Å
637A90.3Very high76.7Confident0 Ų073.4 Ų73.40%036%0.364CS..EExtended strand (participates in β ladder)trans-83.6135-177.300000112T614 G615 M621 V633 F650T614-A637 WeakPolarHBondContact CA-O 3.43Å; G615-A637 PolarHBondContact N-O 3.06Å; M621-A637 HydrophobicContact CE-CB 4.13Å; M621-A637 HydrophobicContact CG-CB 3.89Å; M621-A637 HydrophobicContact SD-CB 4.23Å; V633-A637 WeakPolarHBondContact O-CB 3.39Å; V633-A637 PolarHBondContact O-N 3.25Å; A637-F650 WeakPolarHBondContact CA-O 3.37Å
638F94.3Very high79Confident0 Ų069.2 Ų69.20%034%0.342CS..EExtended strand (participates in β ladder)trans-146.3156.2169.565.9-80.2000111F558 V612 V613 T614 C618 F650 A652 Y658 W661 T662 L665F558-F638 HydrophobicContact CE1-CE1 4.16Å; F558-F638 AromaticContact CE1-CZ 3.9Å; F558-F638 HydrophobicContact CE1-CZ 3.9Å; F558-F638 HydrophobicContact CZ-CZ 4.18Å; V612-F638 HydrophobicContact CG1-CD2 4.36Å; V613-F638 CarbonylContact O-C 3.51Å; V613-F638 WeakPolarHBondContact O-CA 3.49Å; V613-F638 WeakPolarHBondContact O-CB 3.48Å; T614-F638 HydrophobicContact CG2-CB 3.92Å; C618-F638 VanDerWaalsContact SG-C 3.53Å; C618-F638 WeakPolarHBondContact SG-CA 3.44Å; F638-F650 HydrophobicContact CD1-CB 3.69Å; F638-F650 HydrophobicContact CD2-CB 3.85Å; F638-F650 AromaticContact CD2-CD2 3.81Å; F638-F650 HydrophobicContact CD2-CD2 3.81Å; F638-F650 AromaticContact CD2-CG 3.89Å; F638-F650 HydrophobicContact CD2-CG 3.89Å; F638-F650 HydrophobicContact CE1-CB 3.38Å; F638-F650 HydrophobicContact CE1-CD1 4.36Å; F638-F650 HydrophobicContact CE1-CG 4.03Å; F638-F650 HydrophobicContact CE2-CB 3.55Å; F638-F650 AromaticContact CE2-CD1 3.67Å; F638-F650 HydrophobicContact CE2-CD1 3.67Å; F638-F650 AromaticContact CE2-CD2 3.52Å; F638-F650 HydrophobicContact CE2-CD2 3.52Å; F638-F650 HydrophobicContact CE2-CE1 4.15Å; F638-F650 HydrophobicContact CE2-CE2 4.05Å; F638-F650 AromaticContact CE2-CG 3.31Å; F638-F650 HydrophobicContact CE2-CG 3.31Å; F638-F650 HydrophobicContact CE2-CZ 4.33Å; F638-F650 HydrophobicContact CG-CB 3.91Å; F638-F650 HydrophobicContact CG-CG 4.46Å; F638-F650 HydrophobicContact CZ-CB 3.31Å; F638-F650 AromaticContact CZ-CD1 3.49Å; F638-F650 HydrophobicContact CZ-CD1 3.49Å; F638-F650 VanDerWaalsContact CZ-CD1 3.49Å; F638-F650 HydrophobicContact CZ-CD2 4.1Å; F638-F650 HydrophobicContact CZ-CE1 4.24Å; F638-F650 AromaticContact CZ-CG 3.39Å; F638-F650 HydrophobicContact CZ-CG 3.39Å; F638-F650 PolarHBondContact N-O 3.4Å; F638-F650 WeakPolarHBondContact O-CA 3.37Å; F638-F650 WeakPolarHBondContact O-CB 3.35Å; F638-F650 PolarHBondContact O-N 3.36Å; F638-F650 VanDerWaalsContact O-O 3.04Å; F638-A652 HydrophobicContact CE1-CB 4.19Å; F638-Y658 HydrophobicContact CB-CE2 4.25Å; F638-Y658 AromaticContact CD1-CD2 3.86Å; F638-Y658 HydrophobicContact CD1-CD2 3.86Å; F638-Y658 HydrophobicContact CD1-CE2 4.16Å; F638-Y658 HydrophobicContact CE1-CD2 4.49Å; F638-W661 HydrophobicContact CE1-CB 4.19Å; F638-W661 HydrophobicContact CE2-CB 3.97Å; F638-W661 HydrophobicContact CE2-CE3 4.49Å; F638-W661 HydrophobicContact CZ-CB 3.5Å; F638-W661 HydrophobicContact CZ-CD2 4.41Å; F638-W661 HydrophobicContact CZ-CE3 4.48Å; F638-W661 HydrophobicContact CZ-CG 4Å; F638-T662 HydrophobicContact CB-CG2 3.96Å; F638-T662 HydrophobicContact CD1-CG2 4.22Å; F638-T662 HydrophobicContact CD2-CG2 4.28Å; F638-T662 HydrophobicContact CG-CG2 3.91Å; F638-L665 HydrophobicContact CD2-CD1 4.14Å; F638-L665 HydrophobicContact CE2-CD1 3.83Å
639S94.1Very high81.1Confident0 Ų062.6 Ų62.60%032%0.315CS..EExtended strand (participates in β ladder)trans-138.8137.5179.7-58.30000111.5V612 V613 C618 H620 L648 N649V612-S639 CarbonylContact C-O 3.52Å; V612-S639 VanDerWaalsContact CA-O 3.29Å; V612-S639 WeakPolarHBondContact CA-O 3.5Å; V613-S639 PolarHBondContact N-O 3Å; V613-S639 PolarHBondContact O-N 3.28Å; C618-S639 WeakPolarHBondContact CB-OG 3.32Å; C618-S639 PolarHBondContact SG-OG 3.06Å; H620-S639 PolarHBondContact CE1-OG 3.47Å; H620-S639 VanDerWaalsContact CE1-OG 3.28Å; H620-S639 PolarHBondContact ND1-OG 3.45Å; S639-L648 CarbonylContact C-O 3.48Å; S639-L648 VanDerWaalsContact CA-O 3.25Å; S639-L648 WeakPolarHBondContact CA-O 3.49Å; S639-N649 WeakPolarHBondContact CB-OD1 3.44Å; S639-N649 PolarHBondContact OG-OD1 3.11Å
640V95.4Very high83.3Confident0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-92.3115.9170.1177.70000108.2I609 V612 N647 L648 F650 L665I609-V640 HydrophobicContact CB-CG1 4.26Å; I609-V640 HydrophobicContact CD1-CG1 3.92Å; I609-V640 HydrophobicContact CG1-CG1 3.74Å; I609-V640 HydrophobicContact CG2-CG1 3.65Å; V612-V640 HydrophobicContact CG2-CG2 4.28Å; V640-N647 WeakPolarHBondContact O-CA 3.42Å; V640-L648 HydrophobicContact CB-CB 4.31Å; V640-L648 PolarHBondContact N-O 3.04Å; V640-L648 PolarHBondContact O-N 3.04Å; V640-F650 HydrophobicContact CB-CE2 4.26Å; V640-F650 HydrophobicContact CG2-CD2 4.49Å; V640-F650 HydrophobicContact CG2-CE2 3.66Å; V640-F650 HydrophobicContact CG2-CZ 4.3Å; V640-L665 HydrophobicContact CG2-CD1 3.77Å; V640-L665 HydrophobicContact CG2-CD2 4.31Å
641L93.1Very high84.6Confident44 Ų4453.1 Ų53.123%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-95.7118176.1-49.4-174.9000108.4K610 S611 V613 P619 N647K610-L641 WeakPolarHBondContact CB-O 3.41Å; K610-L641 PolarHBondContact N-O 3.36Å; S611-L641 PolarHBondContact N-O 3.45Å; S611-L641 PolarHBondContact O-N 3.42Å; V613-L641 HydrophobicContact CG1-CD1 3.88Å; V613-L641 HydrophobicContact CG1-CG 4.49Å; V613-L641 HydrophobicContact CG2-CD1 4.21Å; V613-L641 HydrophobicContact CG2-CD2 4.24Å; V613-L641 HydrophobicContact CG2-CG 4.22Å; P619-L641 HydrophobicContact CG-CD2 4.06Å; L641-N647 HydrophobicContact CD2-CB 3.56Å
642Y88.9Confident85.4Confident36 Ų3645.2 Ų45.214%0.14124%0.237CC..  trans-127-28.8-176.262.5-91.4000113.3I604 D608 K610 E646 L648I604-Y642 HydrophobicContact CD1-CD1 3.72Å; I604-Y642 HydrophobicContact CD1-CE1 3.5Å; I604-Y642 VanDerWaalsContact CD1-CE1 3.5Å; I604-Y642 HydrophobicContact CD1-CG 4.43Å; I604-Y642 HydrophobicContact CG1-CD1 4.09Å; I604-Y642 HydrophobicContact CG1-CD2 4.43Å; I604-Y642 HydrophobicContact CG1-CE1 3.96Å; I604-Y642 HydrophobicContact CG1-CE2 4.33Å; I604-Y642 HydrophobicContact CG1-CG 4.33Å; I604-Y642 HydrophobicContact CG2-CD1 4.22Å; I604-Y642 HydrophobicContact CG2-CD2 4.39Å; I604-Y642 HydrophobicContact CG2-CG 3.95Å; D608-Y642 CarbonylContact O-C 3.52Å; D608-Y642 VanDerWaalsContact O-CA 3.25Å; D608-Y642 WeakPolarHBondContact O-CA 3.44Å; K610-Y642 WeakPolarHBondContact CE-O 3.3Å; Y642-E646 HydrophobicContact CE1-CB 4.39Å; Y642-E646 HydrophobicContact CE2-CB 3.88Å; Y642-E646 VanDerWaalsContact CE2-OE2 3.31Å; Y642-E646 WeakPolarHBondContact CE2-OE2 3.42Å; Y642-E646 WeakPolarHBondContact OH-CB 3.4Å; Y642-E646 PolarHBondContact OH-OE2 3.34Å; Y642-L648 HydrophobicContact CE1-CB 4.17Å
643D80.9Confident85.8Confident71 Ų7144.4 Ų44.438%0.3824%0.238SC..SBendtrans-119.2154.8174.5-167.5-77.2000109.7D645 E646D643-D645 PolarHBondContact O-N 2.85Å; D643-D645 PolarHBondContact OD1-N 3.16Å; D643-D645 VanDerWaalsContact OD1-N 3.09Å; D643-E646 HydrophobicContact CB-CB 3.79Å; D643-E646 HydrophobicContact CB-CG 4.14Å; D643-E646 PolarHBondContact N-O 3.45Å
644P71.5Confident85.9Confident102 Ų10246.6 Ų46.666%0.66225%0.249SC*.SBendtrans-53.8-32.8173.5-27.236.8000114.3
645D72.6Confident86Confident149 Ų14950.4 Ų50.480%0.79726%0.263SS*.SBendtrans-112.4-9.1-175.1-63.5-45.5000113.4D643D643-D645 PolarHBondContact O-N 2.85Å; D643-D645 PolarHBondContact OD1-N 3.16Å; D643-D645 VanDerWaalsContact OD1-N 3.09Å
646E79.4Confident85.9Confident97 Ų9749.6 Ų49.645%0.45326%0.256SS..  trans-116.8145.8179.1-50.1-171167.500114.2Y642 D643Y642-E646 HydrophobicContact CE1-CB 4.39Å; Y642-E646 HydrophobicContact CE2-CB 3.88Å; Y642-E646 VanDerWaalsContact CE2-OE2 3.31Å; Y642-E646 WeakPolarHBondContact CE2-OE2 3.42Å; Y642-E646 WeakPolarHBondContact OH-CB 3.4Å; Y642-E646 PolarHBondContact OH-OE2 3.34Å; D643-E646 HydrophobicContact CB-CB 3.79Å; D643-E646 HydrophobicContact CB-CG 4.14Å; D643-E646 PolarHBondContact N-O 3.45Å
647N88.1Confident85.9Confident52 Ų5248.6 Ų48.628%0.27825%0.25SS..EExtended strand (participates in β ladder)trans-147145.6178.548.285.9000110P619 V640 L641 N649P619-N647 HydrophobicContact CG-CB 4.34Å; V640-N647 WeakPolarHBondContact O-CA 3.42Å; L641-N647 HydrophobicContact CD2-CB 3.56Å; N647-N649 VanDerWaalsContact OD1-CG 3.25Å; N647-N649 PolarHBondContact OD1-ND2 3.35Å; N647-N649 PolarHBondContact OD1-OD1 3.27Å; N647-N649 VanDerWaalsContact OD1-OD1 3.11Å
648L91.1Very high86Confident17 Ų1750.6 Ų50.69%0.08926%0.258CS..EExtended strand (participates in β ladder)trans-99.7113.9170.8-174.562.5000108.5W571 Y584 I604 S639 V640 Y642 F650W571-L648 HydrophobicContact CH2-CD1 3.65Å; W571-L648 HydrophobicContact CH2-CD2 3.9Å; W571-L648 HydrophobicContact CH2-CG 3.72Å; W571-L648 HydrophobicContact CZ3-CD1 3.78Å; W571-L648 HydrophobicContact CZ3-CD2 3.98Å; W571-L648 HydrophobicContact CZ3-CG 4.13Å; Y584-L648 HydrophobicContact CD1-CD2 4.02Å; Y584-L648 HydrophobicContact CD2-CD1 3.91Å; Y584-L648 HydrophobicContact CD2-CD2 4.5Å; Y584-L648 HydrophobicContact CE1-CD2 4.21Å; Y584-L648 HydrophobicContact CE2-CD1 3.7Å; Y584-L648 HydrophobicContact CG-CD1 4.41Å; Y584-L648 HydrophobicContact CG-CD2 4.18Å; I604-L648 HydrophobicContact CD1-CB 3.9Å; I604-L648 HydrophobicContact CD1-CD2 3.63Å; I604-L648 HydrophobicContact CD1-CG 4.32Å; S639-L648 CarbonylContact C-O 3.48Å; S639-L648 VanDerWaalsContact CA-O 3.25Å; S639-L648 WeakPolarHBondContact CA-O 3.49Å; V640-L648 HydrophobicContact CB-CB 4.31Å; V640-L648 PolarHBondContact N-O 3.04Å; V640-L648 PolarHBondContact O-N 3.04Å; Y642-L648 HydrophobicContact CE1-CB 4.17Å; L648-F650 HydrophobicContact CB-CE2 4.02Å; L648-F650 HydrophobicContact CD2-CE1 4.43Å; L648-F650 HydrophobicContact CD2-CE2 3.71Å; L648-F650 HydrophobicContact CD2-CZ 3.44Å; L648-F650 VanDerWaalsContact CD2-CZ 3.44Å; L648-F650 HydrophobicContact CG-CD2 4.36Å; L648-F650 HydrophobicContact CG-CE2 3.54Å; L648-F650 HydrophobicContact CG-CZ 3.76Å; L648-F650 WeakPolarHBondContact O-CD2 3.49Å; L648-F650 WeakPolarHBondContact O-CE2 3.42Å
649N90.9Very high86Confident52 Ų5250.9 Ų50.928%0.27826%0.26SS..EExtended strand (participates in β ladder)trans-97.3135.2-174.2-66.6-51.5000111.1W571 H620 S639 N647W571-N649 VanDerWaalsContact CZ2-O 3.23Å; W571-N649 WeakPolarHBondContact CZ2-O 3.41Å; H620-N649 HydrophobicContact CB-CB 4.32Å; H620-N649 WeakPolarHBondContact ND1-CB 3.47Å; H620-N649 PolarHBondContact ND1-OD1 2.97Å; S639-N649 WeakPolarHBondContact CB-OD1 3.44Å; S639-N649 PolarHBondContact OG-OD1 3.11Å; N647-N649 VanDerWaalsContact OD1-CG 3.25Å; N647-N649 PolarHBondContact OD1-ND2 3.35Å; N647-N649 PolarHBondContact OD1-OD1 3.27Å; N647-N649 VanDerWaalsContact OD1-OD1 3.11Å
650F91.1Very high85.9Confident1 Ų150.9 Ų50.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-126.8142.6-179.1-59.5-106.5000110.2F558 W571 C573 A637 F638 V640 L648 W661F558-F650 HydrophobicContact CD1-CB 4.43Å; F558-F650 AromaticContact CD1-CD1 3.92Å; F558-F650 HydrophobicContact CD1-CD1 3.92Å; F558-F650 AromaticContact CD2-CD1 4Å; F558-F650 HydrophobicContact CD2-CD1 4Å; F558-F650 HydrophobicContact CD2-CE1 4.26Å; F558-F650 HydrophobicContact CE1-CB 4.44Å; F558-F650 AromaticContact CE1-CD1 3.69Å; F558-F650 HydrophobicContact CE1-CD1 3.69Å; F558-F650 HydrophobicContact CE1-CE1 4.49Å; F558-F650 AromaticContact CE2-CD1 3.78Å; F558-F650 HydrophobicContact CE2-CD1 3.78Å; F558-F650 AromaticContact CE2-CE1 3.84Å; F558-F650 HydrophobicContact CE2-CE1 3.84Å; F558-F650 HydrophobicContact CG-CD1 4.06Å; F558-F650 AromaticContact CZ-CD1 3.6Å; F558-F650 HydrophobicContact CZ-CD1 3.6Å; F558-F650 AromaticContact CZ-CE1 3.96Å; F558-F650 HydrophobicContact CZ-CE1 3.96Å; W571-F650 AromaticContact CH2-CD1 3.44Å; W571-F650 HydrophobicContact CH2-CD1 3.44Å; W571-F650 VanDerWaalsContact CH2-CD1 3.44Å; W571-F650 HydrophobicContact CH2-CD2 4.34Å; W571-F650 AromaticContact CH2-CE1 3.2Å; W571-F650 HydrophobicContact CH2-CE1 3.2Å; W571-F650 HydrophobicContact CH2-CE2 4.12Å; W571-F650 HydrophobicContact CH2-CG 4.04Å; W571-F650 AromaticContact CH2-CZ 3.57Å; W571-F650 HydrophobicContact CH2-CZ 3.57Å; W571-F650 AromaticContact CZ2-CD1 3.5Å; W571-F650 HydrophobicContact CZ2-CD1 3.5Å; W571-F650 VanDerWaalsContact CZ2-CD1 3.5Å; W571-F650 AromaticContact CZ2-CE1 3.8Å; W571-F650 HydrophobicContact CZ2-CE1 3.8Å; W571-F650 AromaticContact CZ2-CG 3.93Å; W571-F650 HydrophobicContact CZ2-CG 3.93Å; W571-F650 HydrophobicContact CZ2-CZ 4.41Å; W571-F650 HydrophobicContact CZ3-CE1 4.07Å; W571-F650 HydrophobicContact CZ3-CZ 4.39Å; C573-F650 HydrophobicContact CB-CE1 4.09Å; A637-F650 WeakPolarHBondContact CA-O 3.37Å; F638-F650 HydrophobicContact CD1-CB 3.69Å; F638-F650 HydrophobicContact CD2-CB 3.85Å; F638-F650 AromaticContact CD2-CD2 3.81Å; F638-F650 HydrophobicContact CD2-CD2 3.81Å; F638-F650 AromaticContact CD2-CG 3.89Å; F638-F650 HydrophobicContact CD2-CG 3.89Å; F638-F650 HydrophobicContact CE1-CB 3.38Å; F638-F650 HydrophobicContact CE1-CD1 4.36Å; F638-F650 HydrophobicContact CE1-CG 4.03Å; F638-F650 HydrophobicContact CE2-CB 3.55Å; F638-F650 AromaticContact CE2-CD1 3.67Å; F638-F650 HydrophobicContact CE2-CD1 3.67Å; F638-F650 AromaticContact CE2-CD2 3.52Å; F638-F650 HydrophobicContact CE2-CD2 3.52Å; F638-F650 HydrophobicContact CE2-CE1 4.15Å; F638-F650 HydrophobicContact CE2-CE2 4.05Å; F638-F650 AromaticContact CE2-CG 3.31Å; F638-F650 HydrophobicContact CE2-CG 3.31Å; F638-F650 HydrophobicContact CE2-CZ 4.33Å; F638-F650 HydrophobicContact CG-CB 3.91Å; F638-F650 HydrophobicContact CG-CG 4.46Å; F638-F650 HydrophobicContact CZ-CB 3.31Å; F638-F650 AromaticContact CZ-CD1 3.49Å; F638-F650 HydrophobicContact CZ-CD1 3.49Å; F638-F650 VanDerWaalsContact CZ-CD1 3.49Å; F638-F650 HydrophobicContact CZ-CD2 4.1Å; F638-F650 HydrophobicContact CZ-CE1 4.24Å; F638-F650 AromaticContact CZ-CG 3.39Å; F638-F650 HydrophobicContact CZ-CG 3.39Å; F638-F650 PolarHBondContact N-O 3.4Å; F638-F650 WeakPolarHBondContact O-CA 3.37Å; F638-F650 WeakPolarHBondContact O-CB 3.35Å; F638-F650 PolarHBondContact O-N 3.36Å; F638-F650 VanDerWaalsContact O-O 3.04Å; V640-F650 HydrophobicContact CB-CE2 4.26Å; V640-F650 HydrophobicContact CG2-CD2 4.49Å; V640-F650 HydrophobicContact CG2-CE2 3.66Å; V640-F650 HydrophobicContact CG2-CZ 4.3Å; L648-F650 HydrophobicContact CB-CE2 4.02Å; L648-F650 HydrophobicContact CD2-CE1 4.43Å; L648-F650 HydrophobicContact CD2-CE2 3.71Å; L648-F650 HydrophobicContact CD2-CZ 3.44Å; L648-F650 VanDerWaalsContact CD2-CZ 3.44Å; L648-F650 HydrophobicContact CG-CD2 4.36Å; L648-F650 HydrophobicContact CG-CE2 3.54Å; L648-F650 HydrophobicContact CG-CZ 3.76Å; L648-F650 WeakPolarHBondContact O-CD2 3.49Å; L648-F650 WeakPolarHBondContact O-CE2 3.42Å; F650-W661 HydrophobicContact CE1-CE3 4.24Å; F650-W661 HydrophobicContact CE1-CZ3 4.16Å
651V86.9Confident86Confident21 Ų2150.9 Ų50.913%0.12726%0.26CS..EExtended strand (participates in β ladder)trans-124113.5158.5178.90000106.1L561 M621 V633 L636L561-V651 HydrophobicContact CD1-CG2 3.76Å; L561-V651 HydrophobicContact CD2-CG2 4.23Å; L561-V651 HydrophobicContact CG-CG2 4.04Å; M621-V651 HydrophobicContact CE-CG2 4.34Å; V633-V651 HydrophobicContact CG1-CG1 4.01Å; V633-V651 HydrophobicContact CG1-CG2 4.18Å; L636-V651 HydrophobicContact CB-CG1 4.34Å
652A85.4Confident86.1Confident3 Ų349.4 Ų49.43%0.02525%0.253CS..  trans-65144.5-179.700000110.7L636 F638 N654 E657 Y658L636-A652 HydrophobicContact CB-CB 4.36Å; L636-A652 PolarHBondContact O-N 2.97Å; F638-A652 HydrophobicContact CE1-CB 4.19Å; A652-N654 PolarHBondContact O-N 2.91Å; A652-E657 HydrophobicContact CB-CB 4.49Å; A652-Y658 HydrophobicContact CB-CD2 4.38Å; A652-Y658 HydrophobicContact CB-CG 4.47Å
653P73.9Confident86.5Confident59 Ų5947.8 Ų47.838%0.38325%0.247SC..SBendtrans-68.4-21.2177.928.3-36.1000113E657P653-E657 HydrophobicContact CG-CB 3.88Å; P653-E657 HydrophobicContact CG-CG 3.85Å
654N78.6Confident87.3Confident71 Ų7144.4 Ų44.438%0.3823%0.229SC..SBendtrans-161.7171.1176.758.260.7000110.6A652 Y656 E657 Y658A652-N654 PolarHBondContact O-N 2.91Å; N654-Y656 VanDerWaalsContact C-N 3.28Å; N654-Y656 PolarHBondContact O-N 3.14Å; N654-Y656 WeakPolarHBondContact OD1-CA 3.48Å; N654-Y656 WeakPolarHBondContact OD1-CB 3.43Å; N654-Y656 PolarHBondContact OD1-N 3.15Å; N654-E657 PolarHBondContact O-N 2.84Å; N654-E657 PolarHBondContact OD1-N 3.45Å; N654-Y658 PolarHBondContact O-N 2.95Å
655K84.5Confident88.5Confident125 Ų12539.6 Ų39.654%0.54320%0.197SC..Hα-helixtrans-62-31.8-179.6-172.1171.1179.5-178.80113.3L636 Y658 C659 D676L636-K655 HydrophobicContact CD2-CB 4.28Å; K655-Y658 WeakPolarHBondContact O-CB 3.46Å; K655-C659 WeakPolarHBondContact O-CB 3.38Å; K655-C659 PolarHBondContact O-N 3.36Å; K655-C659 PolarHBondContact O-SG 3.22Å; K655-D676 IonicContact NZ-OD2 3.16Å; K655-D676 PolarHBondContact NZ-OD2 3.26Å
656Y84.5Confident89.6Confident102 Ų10234 Ų3440%0.417%0.169SC..Hα-helixtrans-66.1-52.1178171.5-92.7000111.1N654 Y658 C659 V660 L677N654-Y656 VanDerWaalsContact C-N 3.28Å; N654-Y656 PolarHBondContact O-N 3.14Å; N654-Y656 WeakPolarHBondContact OD1-CA 3.48Å; N654-Y656 WeakPolarHBondContact OD1-CB 3.43Å; N654-Y656 PolarHBondContact OD1-N 3.15Å; Y656-Y658 VanDerWaalsContact C-N 3.29Å; Y656-Y658 PolarHBondContact O-N 2.86Å; Y656-C659 PolarHBondContact O-N 3.21Å; Y656-C659 VanDerWaalsContact O-N 3.17Å; Y656-V660 HydrophobicContact CD1-CG2 4.18Å; Y656-V660 HydrophobicContact CD2-CG2 4.44Å; Y656-V660 HydrophobicContact CE1-CG2 3.76Å; Y656-V660 HydrophobicContact CE2-CG2 4.04Å; Y656-V660 WeakPolarHBondContact O-CG2 3.35Å; Y656-V660 PolarHBondContact O-N 3.07Å; Y656-L677 HydrophobicContact CD2-CD1 3.98Å; Y656-L677 HydrophobicContact CD2-CD2 3.66Å; Y656-L677 HydrophobicContact CD2-CG 4.48Å; Y656-L677 HydrophobicContact CE2-CD1 4.07Å; Y656-L677 HydrophobicContact CE2-CD2 3.66Å
657E88Confident90.3Very high19 Ų1929.7 Ų29.79%0.08915%0.151CC..Hα-helixtrans-62-38.3177.1-74.8-64.3141.600111.5R551 S556 A652 P653 N654 C659 V660 W661R551-E657 IonicContact NH2-OE1 2.74Å; R551-E657 PolarHBondContact NH2-OE1 3.41Å; S556-E657 WeakPolarHBondContact CB-OE2 3.36Å; S556-E657 PolarHBondContact OG-OE2 3.02Å; A652-E657 HydrophobicContact CB-CB 4.49Å; P653-E657 HydrophobicContact CG-CB 3.88Å; P653-E657 HydrophobicContact CG-CG 3.85Å; N654-E657 PolarHBondContact O-N 2.84Å; N654-E657 PolarHBondContact OD1-N 3.45Å; E657-C659 PolarHBondContact O-N 3.11Å; E657-V660 PolarHBondContact O-N 3.43Å; E657-W661 WeakPolarHBondContact O-CB 3.4Å; E657-W661 VanDerWaalsContact O-CD1 3.28Å; E657-W661 PolarHBondContact O-N 3.12Å; E657-W661 PolarHBondContact OE2-NE1 3.23Å
658Y93.3Very high90.7Very high42 Ų4228.7 Ų28.717%0.16515%0.145CC..Hα-helixtrans-54.9-52.2171.8174.6-98.5000111.8T614 L636 F638 A652 N654 K655 Y656 W661 T662T614-Y658 WeakPolarHBondContact CB-OH 3.49Å; T614-Y658 HydrophobicContact CG2-CE2 4.4Å; T614-Y658 WeakPolarHBondContact CG2-OH 3.44Å; L636-Y658 WeakPolarHBondContact O-CD2 3.42Å; F638-Y658 HydrophobicContact CB-CE2 4.25Å; F638-Y658 AromaticContact CD1-CD2 3.86Å; F638-Y658 HydrophobicContact CD1-CD2 3.86Å; F638-Y658 HydrophobicContact CD1-CE2 4.16Å; F638-Y658 HydrophobicContact CE1-CD2 4.49Å; A652-Y658 HydrophobicContact CB-CD2 4.38Å; A652-Y658 HydrophobicContact CB-CG 4.47Å; N654-Y658 PolarHBondContact O-N 2.95Å; K655-Y658 WeakPolarHBondContact O-CB 3.46Å; Y656-Y658 VanDerWaalsContact C-N 3.29Å; Y656-Y658 PolarHBondContact O-N 2.86Å; Y658-W661 PolarHBondContact O-N 2.8Å; Y658-T662 HydrophobicContact CD2-CG2 4.12Å; Y658-T662 HydrophobicContact CE1-CG2 4.4Å; Y658-T662 HydrophobicContact CE2-CG2 3.81Å; Y658-T662 WeakPolarHBondContact O-CB 3.44Å; Y658-T662 WeakPolarHBondContact O-CG2 3.44Å; Y658-T662 PolarHBondContact O-N 2.69Å; Y658-T662 PolarHBondContact O-OG1 2.74Å
659C93.6Very high90.8Very high6 Ų630 Ų304%0.04115%0.152CC..Hα-helixtrans-62.8-45.2179.2-69.70000112K655 Y656 E657 W661 T662 D663 S675 L677K655-C659 WeakPolarHBondContact O-CB 3.38Å; K655-C659 PolarHBondContact O-N 3.36Å; K655-C659 PolarHBondContact O-SG 3.22Å; Y656-C659 PolarHBondContact O-N 3.21Å; Y656-C659 VanDerWaalsContact O-N 3.17Å; E657-C659 PolarHBondContact O-N 3.11Å; C659-W661 PolarHBondContact O-N 3.42Å; C659-T662 PolarHBondContact O-OG1 2.86Å; C659-D663 WeakPolarHBondContact O-CB 3.44Å; C659-D663 VanDerWaalsContact O-CG 3.32Å; C659-D663 PolarHBondContact O-N 2.85Å; C659-S675 WeakPolarHBondContact CB-OG 3.47Å; C659-L677 HydrophobicContact CB-CB 3.6Å; C659-L677 HydrophobicContact CB-CD2 3.87Å; C659-L677 HydrophobicContact CB-CG 4.41Å
660V93.1Very high90.8Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-59.2-46.9179.3169.40000111.1R551 Y656 E657 G664 L677R551-V660 HydrophobicContact CB-CG1 3.58Å; R551-V660 HydrophobicContact CG-CG1 4.13Å; Y656-V660 HydrophobicContact CD1-CG2 4.18Å; Y656-V660 HydrophobicContact CD2-CG2 4.44Å; Y656-V660 HydrophobicContact CE1-CG2 3.76Å; Y656-V660 HydrophobicContact CE2-CG2 4.04Å; Y656-V660 WeakPolarHBondContact O-CG2 3.35Å; Y656-V660 PolarHBondContact O-N 3.07Å; E657-V660 PolarHBondContact O-N 3.43Å; V660-G664 WeakPolarHBondContact O-CA 3.35Å; V660-G664 PolarHBondContact O-N 3.01Å; V660-L677 HydrophobicContact CG2-CD2 3.63Å
661W96.1Very high90.9Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-71.4-46.8-178-86.283.5000113.1L552 S556 F558 C573 L582 F638 F650 E657 Y658 C659 G664 L665L552-W661 HydrophobicContact CD2-CD2 3.43Å; L552-W661 VanDerWaalsContact CD2-CD2 3.43Å; L552-W661 HydrophobicContact CD2-CE3 3.39Å; L552-W661 HydrophobicContact CD2-CG 4.03Å; L552-W661 HydrophobicContact CD2-CH2 3.98Å; L552-W661 HydrophobicContact CD2-CZ2 4.02Å; L552-W661 HydrophobicContact CD2-CZ3 3.68Å; S556-W661 PolarHBondContact OG-NE1 3.03Å; F558-W661 HydrophobicContact CE1-CG 4.49Å; F558-W661 HydrophobicContact CE2-CD2 4.28Å; F558-W661 AromaticContact CE2-CE2 3.83Å; F558-W661 HydrophobicContact CE2-CH2 4.23Å; F558-W661 AromaticContact CE2-CZ2 3.81Å; F558-W661 HydrophobicContact CE2-CZ2 3.81Å; F558-W661 AromaticContact CZ-CD1 3.78Å; F558-W661 AromaticContact CZ-CD2 3.6Å; F558-W661 HydrophobicContact CZ-CD2 3.6Å; F558-W661 AromaticContact CZ-CE2 3.45Å; F558-W661 VanDerWaalsContact CZ-CE2 3.45Å; F558-W661 HydrophobicContact CZ-CE3 4.2Å; F558-W661 AromaticContact CZ-CG 3.84Å; F558-W661 HydrophobicContact CZ-CG 3.84Å; F558-W661 HydrophobicContact CZ-CH2 4.49Å; F558-W661 AromaticContact CZ-CZ2 3.93Å; F558-W661 HydrophobicContact CZ-CZ2 3.93Å; F558-W661 AromaticContact CZ-NE1 3.55Å; C573-W661 HydrophobicContact CB-CH2 3.67Å; C573-W661 HydrophobicContact CB-CZ2 4.37Å; C573-W661 HydrophobicContact CB-CZ3 4.22Å; C573-W661 VanDerWaalsContact O-CH2 3.24Å; C573-W661 WeakPolarHBondContact O-CH2 3.48Å; C573-W661 VanDerWaalsContact O-CZ2 3.23Å; C573-W661 WeakPolarHBondContact O-CZ2 3.39Å; L582-W661 HydrophobicContact CD2-CZ3 4.34Å; F638-W661 HydrophobicContact CE1-CB 4.19Å; F638-W661 HydrophobicContact CE2-CB 3.97Å; F638-W661 HydrophobicContact CE2-CE3 4.49Å; F638-W661 HydrophobicContact CZ-CB 3.5Å; F638-W661 HydrophobicContact CZ-CD2 4.41Å; F638-W661 HydrophobicContact CZ-CE3 4.48Å; F638-W661 HydrophobicContact CZ-CG 4Å; F650-W661 HydrophobicContact CE1-CE3 4.24Å; F650-W661 HydrophobicContact CE1-CZ3 4.16Å; E657-W661 WeakPolarHBondContact O-CB 3.4Å; E657-W661 VanDerWaalsContact O-CD1 3.28Å; E657-W661 PolarHBondContact O-N 3.12Å; E657-W661 PolarHBondContact OE2-NE1 3.23Å; Y658-W661 PolarHBondContact O-N 2.8Å; C659-W661 PolarHBondContact O-N 3.42Å; W661-G664 PolarHBondContact O-N 3.2Å; W661-L665 HydrophobicContact CE3-CD1 4.33Å; W661-L665 WeakPolarHBondContact O-CB 3.34Å; W661-L665 WeakPolarHBondContact O-CD1 3.49Å; W661-L665 WeakPolarHBondContact O-CG 3.37Å; W661-L665 PolarHBondContact O-N 3.08Å
662T96.8Very high91.2Very high12 Ų1244.3 Ų44.37%0.07423%0.23CC..Hα-helixtrans-64-44.4179.651.70000111.6T614 F638 Y658 C659 C666T614-T662 HydrophobicContact CG2-CG2 4.08Å; F638-T662 HydrophobicContact CB-CG2 3.96Å; F638-T662 HydrophobicContact CD1-CG2 4.22Å; F638-T662 HydrophobicContact CD2-CG2 4.28Å; F638-T662 HydrophobicContact CG-CG2 3.91Å; Y658-T662 HydrophobicContact CD2-CG2 4.12Å; Y658-T662 HydrophobicContact CE1-CG2 4.4Å; Y658-T662 HydrophobicContact CE2-CG2 3.81Å; Y658-T662 WeakPolarHBondContact O-CB 3.44Å; Y658-T662 WeakPolarHBondContact O-CG2 3.44Å; Y658-T662 PolarHBondContact O-N 2.69Å; Y658-T662 PolarHBondContact O-OG1 2.74Å; C659-T662 PolarHBondContact O-OG1 2.86Å; T662-C666 WeakPolarHBondContact O-CB 3.41Å; T662-C666 PolarHBondContact O-N 3.42Å; T662-C666 PolarHBondContact O-SG 2.9Å; T662-C666 VanDerWaalsContact O-SG 3.33Å
663D97Very high91.6Very high3 Ų345.6 Ų45.62%0.01624%0.236CC..Hα-helixtrans-66.9-42.9175-73-24.9000112R548 C659 L665 C666 A667 M673 G674 S675 T678R548-D663 HydrophobicContact CG-CB 4.37Å; C659-D663 WeakPolarHBondContact O-CB 3.44Å; C659-D663 VanDerWaalsContact O-CG 3.32Å; C659-D663 PolarHBondContact O-N 2.85Å; D663-L665 VanDerWaalsContact C-N 3.33Å; D663-L665 PolarHBondContact O-N 2.67Å; D663-C666 PolarHBondContact O-N 3.2Å; D663-A667 WeakPolarHBondContact O-CB 3.47Å; D663-A667 PolarHBondContact O-N 3.48Å; D663-M673 HydrophobicContact CB-CB 3.91Å; D663-M673 HydrophobicContact CB-CG 3.84Å; D663-M673 HydrophobicContact CB-SD 4.1Å; D663-M673 WeakPolarHBondContact O-CG 3.41Å; D663-M673 WeakPolarHBondContact OD1-CA 3.46Å; D663-G674 PolarHBondContact OD1-N 2.82Å; D663-S675 WeakPolarHBondContact OD1-CB 3.25Å; D663-S675 PolarHBondContact OD1-N 2.66Å; D663-S675 WeakPolarHBondContact OD2-CB 3.41Å; D663-S675 PolarHBondContact OD2-OG 2.73Å; D663-T678 VanDerWaalsContact CG-OG1 3.32Å; D663-T678 WeakPolarHBondContact OD2-CB 3.08Å; D663-T678 PolarHBondContact OD2-OG1 3.06Å
664G96.8Very high92.3Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-59.8-42.9177.600000112.3L552 V660 W661 A667 L668L552-G664 VanDerWaalsContact CD1-C 3.45Å; V660-G664 WeakPolarHBondContact O-CA 3.35Å; V660-G664 PolarHBondContact O-N 3.01Å; W661-G664 PolarHBondContact O-N 3.2Å; G664-A667 PolarHBondContact O-N 3.41Å; G664-L668 VanDerWaalsContact O-CB 3.25Å; G664-L668 WeakPolarHBondContact O-CB 3.47Å; G664-L668 PolarHBondContact O-N 3Å
665L96.9Very high93Very high1 Ų142.3 Ų42.31%0.00523%0.228CC..Hα-helixtrans-69.7-38.9176.4-67.9166.3000111.7L552 L582 V612 F638 V640 W661 D663 L668 L669L552-L665 HydrophobicContact CD1-CD2 4.45Å; L582-L665 HydrophobicContact CD1-CD2 3.98Å; V612-L665 HydrophobicContact CG1-CD1 4.32Å; V612-L665 HydrophobicContact CG2-CB 3.8Å; V612-L665 HydrophobicContact CG2-CD1 4.09Å; V612-L665 HydrophobicContact CG2-CG 4.48Å; F638-L665 HydrophobicContact CD2-CD1 4.14Å; F638-L665 HydrophobicContact CE2-CD1 3.83Å; V640-L665 HydrophobicContact CG2-CD1 3.77Å; V640-L665 HydrophobicContact CG2-CD2 4.31Å; W661-L665 HydrophobicContact CE3-CD1 4.33Å; W661-L665 WeakPolarHBondContact O-CB 3.34Å; W661-L665 WeakPolarHBondContact O-CD1 3.49Å; W661-L665 WeakPolarHBondContact O-CG 3.37Å; W661-L665 PolarHBondContact O-N 3.08Å; D663-L665 VanDerWaalsContact C-N 3.33Å; D663-L665 PolarHBondContact O-N 2.67Å; L665-L668 HydrophobicContact CD2-CD2 4.42Å; L665-L668 WeakPolarHBondContact O-CB 3.44Å; L665-L668 PolarHBondContact O-N 3.4Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.35Å; L665-L669 PolarHBondContact O-N 2.81Å
666C95.6Very high93Very high30 Ų3040 Ų4020%0.20322%0.221CC..Hα-helixtrans-58.9-49.3171.8-790000111.1T662 D663 L668 L669 G670 R671T662-C666 WeakPolarHBondContact O-CB 3.41Å; T662-C666 PolarHBondContact O-N 3.42Å; T662-C666 PolarHBondContact O-SG 2.9Å; T662-C666 VanDerWaalsContact O-SG 3.33Å; D663-C666 PolarHBondContact O-N 3.2Å; C666-L668 VanDerWaalsContact C-N 3.32Å; C666-L668 PolarHBondContact O-N 3.28Å; C666-L669 CarbonylContact O-C 3.47Å; C666-L669 PolarHBondContact O-N 2.64Å; C666-L669 VanDerWaalsContact O-N 3.1Å; C666-G670 PolarHBondContact O-N 3.42Å; C666-G670 VanDerWaalsContact O-N 3.14Å; C666-R671 CarbonylContact C-O 3.56Å; C666-R671 HydrophobicContact CB-CB 4.08Å; C666-R671 WeakPolarHBondContact O-CA 3.37Å; C666-R671 WeakPolarHBondContact O-CB 3.31Å; C666-R671 PolarHBondContact O-N 2.94Å
667A94.9Very high93.2Very high8 Ų836.7 Ų36.77%0.06621%0.21CC..Hα-helixtrans-59.9-40.8177.300000112.5K545 D663 G664 L669 G670 M673K545-A667 HydrophobicContact CB-CB 4.46Å; K545-A667 HydrophobicContact CD-CB 3.96Å; K545-A667 HydrophobicContact CG-CB 3.92Å; D663-A667 WeakPolarHBondContact O-CB 3.47Å; D663-A667 PolarHBondContact O-N 3.48Å; G664-A667 PolarHBondContact O-N 3.41Å; A667-L669 VanDerWaalsContact C-N 3.27Å; A667-L669 PolarHBondContact O-N 3.46Å; A667-G670 PolarHBondContact O-N 3.02Å; A667-G670 VanDerWaalsContact O-N 3.11Å; A667-M673 HydrophobicContact CB-CG 4.01Å; A667-M673 HydrophobicContact CB-SD 3.91Å
668L94.9Very high93.4Very high31 Ų3135.9 Ų35.916%0.16221%0.207CC..Hα-helixtrans-61.9-35.1176.1-173.964.9000112.2L549 L575 H579 V606 G664 L665 C666 G670L549-L668 HydrophobicContact CD2-CB 4.15Å; L549-L668 HydrophobicContact CD2-CD1 3.94Å; L575-L668 HydrophobicContact CD1-CD1 4.42Å; L575-L668 HydrophobicContact CD1-CD2 3.88Å; L575-L668 HydrophobicContact CD2-CD1 3.98Å; L575-L668 HydrophobicContact CD2-CD2 4.21Å; H579-L668 HydrophobicContact CB-CD1 3.86Å; V606-L668 HydrophobicContact CB-CD2 4.45Å; V606-L668 HydrophobicContact CG1-CD1 4.02Å; V606-L668 HydrophobicContact CG1-CD2 3.78Å; V606-L668 HydrophobicContact CG1-CG 3.61Å; V606-L668 HydrophobicContact CG2-CD2 3.74Å; V606-L668 HydrophobicContact CG2-CG 4.36Å; G664-L668 VanDerWaalsContact O-CB 3.25Å; G664-L668 WeakPolarHBondContact O-CB 3.47Å; G664-L668 PolarHBondContact O-N 3Å; L665-L668 HydrophobicContact CD2-CD2 4.42Å; L665-L668 WeakPolarHBondContact O-CB 3.44Å; L665-L668 PolarHBondContact O-N 3.4Å; C666-L668 VanDerWaalsContact C-N 3.32Å; C666-L668 PolarHBondContact O-N 3.28Å; L668-G670 VanDerWaalsContact C-N 3.32Å
669L93.8Very high93.2Very high44 Ų4440.3 Ų40.323%0.2322%0.223CC..THydrogen-bonded Turntrans-886.4176.5-62.7174.9000113.7I609 V612 L665 C666 A667 R671I609-L669 HydrophobicContact CB-CD2 3.95Å; I609-L669 HydrophobicContact CG2-CD1 3.83Å; I609-L669 HydrophobicContact CG2-CD2 3.8Å; I609-L669 HydrophobicContact CG2-CG 4.36Å; V612-L669 HydrophobicContact CG2-CD1 4.02Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.35Å; L665-L669 PolarHBondContact O-N 2.81Å; C666-L669 CarbonylContact O-C 3.47Å; C666-L669 PolarHBondContact O-N 2.64Å; C666-L669 VanDerWaalsContact O-N 3.1Å; A667-L669 VanDerWaalsContact C-N 3.27Å; A667-L669 PolarHBondContact O-N 3.46Å; L669-R671 VanDerWaalsContact C-N 3.27Å; L669-R671 HydrophobicContact CB-CG 4.21Å; L669-R671 PolarHBondContact O-N 3.42Å
670G91.9Very high92.8Very high73 Ų7343 Ų4375%0.75324%0.242SC*.THydrogen-bonded Turntrans67.623.9-177.400000114.3C666 A667 L668C666-G670 PolarHBondContact O-N 3.42Å; C666-G670 VanDerWaalsContact O-N 3.14Å; A667-G670 PolarHBondContact O-N 3.02Å; A667-G670 VanDerWaalsContact O-N 3.11Å; L668-G670 VanDerWaalsContact C-N 3.32Å
671R93.3Very high92.5Very high117 Ų11745.1 Ų45.144%0.44225%0.253SS..  trans-98.2159.9175.2-57.2-178-175.2-173.31110.6K610 C666 L669K610-R671 PolarHBondContact O-NH2 3.23Å; C666-R671 CarbonylContact C-O 3.56Å; C666-R671 HydrophobicContact CB-CB 4.08Å; C666-R671 WeakPolarHBondContact O-CA 3.37Å; C666-R671 WeakPolarHBondContact O-CB 3.31Å; C666-R671 PolarHBondContact O-N 2.94Å; L669-R671 VanDerWaalsContact C-N 3.27Å; L669-R671 HydrophobicContact CB-CG 4.21Å; L669-R671 PolarHBondContact O-N 3.42Å
672E91.8Very high92.3Very high184 Ų18446.1 Ų46.186%0.8626%0.259SS*.  trans-67139.2176.3-68.9-173.6162.200112.1
673M94.7Very high91.6Very high31 Ų3149.3 Ų49.315%0.15328%0.275CS..  trans-82115.7172.5-64.5-175.8-63.700108.8L541 I544 K545 R548 D663 A667 T678L541-M673 HydrophobicContact CD2-CE 4.43Å; I544-M673 HydrophobicContact CB-CE 4.23Å; I544-M673 HydrophobicContact CG2-CE 3.88Å; I544-M673 HydrophobicContact CG2-SD 4.38Å; K545-M673 HydrophobicContact CB-CE 3.9Å; K545-M673 HydrophobicContact CB-SD 4.3Å; R548-M673 HydrophobicContact CG-SD 3.93Å; D663-M673 HydrophobicContact CB-CB 3.91Å; D663-M673 HydrophobicContact CB-CG 3.84Å; D663-M673 HydrophobicContact CB-SD 4.1Å; D663-M673 WeakPolarHBondContact O-CG 3.41Å; D663-M673 WeakPolarHBondContact OD1-CA 3.46Å; A667-M673 HydrophobicContact CB-CG 4.01Å; A667-M673 HydrophobicContact CB-SD 3.91Å; M673-T678 HydrophobicContact CB-CG2 3.79Å; M673-T678 HydrophobicContact CE-CG2 4.16Å
674G89Confident90.8Very high47 Ų4752.7 Ų52.749%0.48530%0.296SS..  trans-111.5-4-165.800000115.4D663 R679D663-G674 PolarHBondContact OD1-N 2.82Å; G674-R679 PolarHBondContact O-NH2 3.2Å
675S91.7Very high90.4Very high14 Ų1455.3 Ų55.310%0.09831%0.31CS..SBendtrans-70.4160.8-172.987.90000113.8C659 D663 L677 T678 R679C659-S675 WeakPolarHBondContact CB-OG 3.47Å; D663-S675 WeakPolarHBondContact OD1-CB 3.25Å; D663-S675 PolarHBondContact OD1-N 2.66Å; D663-S675 WeakPolarHBondContact OD2-CB 3.41Å; D663-S675 PolarHBondContact OD2-OG 2.73Å; S675-L677 PolarHBondContact O-N 2.73Å; S675-L677 WeakPolarHBondContact OG-CB 3.46Å; S675-L677 PolarHBondContact OG-N 3.43Å; S675-T678 PolarHBondContact O-N 3.27Å; S675-T678 PolarHBondContact OG-N 3.19Å; S675-R679 PolarHBondContact O-N 3.26Å
676D85Confident89.9Confident77 Ų7755.3 Ų55.341%0.41231%0.31SS..Hα-helixtrans-59.9-31.1172.1-61.3-28.4000111.7K655 R679 S680K655-D676 IonicContact NZ-OD2 3.16Å; K655-D676 PolarHBondContact NZ-OD2 3.26Å; D676-R679 IonicContact OD1-CZ 3.4Å; D676-R679 IonicContact OD1-NH1 2.65Å; D676-R679 PolarHBondContact OD1-NH1 3.02Å; D676-R679 IonicContact OD1-NH2 3.19Å; D676-R679 PolarHBondContact OD1-NH2 3.37Å; D676-S680 WeakPolarHBondContact O-CB 3.21Å; D676-S680 PolarHBondContact O-N 3.48Å
677L88.4Confident89.2Confident31 Ų3154.5 Ų54.516%0.16231%0.305CS..Hα-helixtrans-68.4-45.2179.1-178.365.7000111.1Y656 C659 V660 S675 R679 S680 D681Y656-L677 HydrophobicContact CD2-CD1 3.98Å; Y656-L677 HydrophobicContact CD2-CD2 3.66Å; Y656-L677 HydrophobicContact CD2-CG 4.48Å; Y656-L677 HydrophobicContact CE2-CD1 4.07Å; Y656-L677 HydrophobicContact CE2-CD2 3.66Å; C659-L677 HydrophobicContact CB-CB 3.6Å; C659-L677 HydrophobicContact CB-CD2 3.87Å; C659-L677 HydrophobicContact CB-CG 4.41Å; V660-L677 HydrophobicContact CG2-CD2 3.63Å; S675-L677 PolarHBondContact O-N 2.73Å; S675-L677 WeakPolarHBondContact OG-CB 3.46Å; S675-L677 PolarHBondContact OG-N 3.43Å; L677-R679 VanDerWaalsContact C-N 3.32Å; L677-R679 PolarHBondContact O-N 2.94Å; L677-S680 PolarHBondContact O-N 2.91Å; L677-D681 WeakPolarHBondContact O-CB 3.11Å; L677-D681 PolarHBondContact O-N 3.06Å
678T92.7Very high88.5Confident3 Ų359.5 Ų59.52%0.01833%0.328CS..Hα-helixtrans-64.2-38.5177.2-72.60000112L541 I544 R548 D663 M673 S675 D681 L682L541-T678 HydrophobicContact CD2-CG2 4.43Å; I544-T678 HydrophobicContact CG2-CG2 4.3Å; R548-T678 PolarHBondContact NH2-OG1 3.37Å; R548-T678 VanDerWaalsContact NH2-OG1 3.11Å; D663-T678 VanDerWaalsContact CG-OG1 3.32Å; D663-T678 WeakPolarHBondContact OD2-CB 3.08Å; D663-T678 PolarHBondContact OD2-OG1 3.06Å; M673-T678 HydrophobicContact CB-CG2 3.79Å; M673-T678 HydrophobicContact CE-CG2 4.16Å; S675-T678 PolarHBondContact O-N 3.27Å; S675-T678 PolarHBondContact OG-N 3.19Å; T678-D681 PolarHBondContact O-N 2.83Å; T678-L682 WeakPolarHBondContact O-CB 3.45Å; T678-L682 PolarHBondContact O-N 2.76Å
679R89.4Confident88.1Confident134 Ų13460.1 Ų60.151%0.50633%0.33SS..Hα-helixtrans-61.3-46173.3-72.4-176.1-116.1119.65.3111.6G674 S675 D676 L677 L682 D683G674-R679 PolarHBondContact O-NH2 3.2Å; S675-R679 PolarHBondContact O-N 3.26Å; D676-R679 IonicContact OD1-CZ 3.4Å; D676-R679 IonicContact OD1-NH1 2.65Å; D676-R679 PolarHBondContact OD1-NH1 3.02Å; D676-R679 IonicContact OD1-NH2 3.19Å; D676-R679 PolarHBondContact OD1-NH2 3.37Å; L677-R679 VanDerWaalsContact C-N 3.32Å; L677-R679 PolarHBondContact O-N 2.94Å; R679-L682 PolarHBondContact O-N 2.92Å; R679-D683 PolarHBondContact O-N 3.48Å
680S85.3Confident87.5Confident64 Ų6458 Ų5845%0.44832%0.319SS..Hα-helixtrans-62.1-45.6177.2-174.80000112.9D676 L677 T684D676-S680 WeakPolarHBondContact O-CB 3.21Å; D676-S680 PolarHBondContact O-N 3.48Å; L677-S680 PolarHBondContact O-N 2.91Å; S680-T684 WeakPolarHBondContact O-CB 3.39Å; S680-T684 PolarHBondContact O-N 3.46Å; S680-T684 PolarHBondContact O-OG1 2.81Å
681D87.2Confident87Confident43 Ų4359.5 Ų59.523%0.2331%0.305CS..Hα-helixtrans-64.9-42.1178.3-73.2-10.8000110.9I544 R548 L677 T678 T684 L685I544-D681 HydrophobicContact CD1-CB 3.88Å; I544-D681 HydrophobicContact CG1-CB 4.19Å; R548-D681 IonicContact CZ-OD2 2.84Å; R548-D681 VanDerWaalsContact CZ-OD2 3.23Å; R548-D681 IonicContact NH1-OD2 3.24Å; R548-D681 PolarHBondContact NH1-OD2 3.07Å; R548-D681 IonicContact NH2-OD2 2.89Å; R548-D681 PolarHBondContact NH2-OD2 3.02Å; L677-D681 WeakPolarHBondContact O-CB 3.11Å; L677-D681 PolarHBondContact O-N 3.06Å; T678-D681 PolarHBondContact O-N 2.83Å; D681-T684 PolarHBondContact O-N 3.22Å; D681-L685 VanDerWaalsContact O-CB 3.31Å; D681-L685 WeakPolarHBondContact O-CB 3.43Å; D681-L685 VanDerWaalsContact O-CG 3.3Å; D681-L685 WeakPolarHBondContact O-CG 3.36Å; D681-L685 PolarHBondContact O-N 3.33Å
682L90.4Very high86.4Confident21 Ų2159 Ų5911%0.1131%0.31CS..Hα-helixtrans-59.7-51177.3-178.163.6000111.2Q537 I540 L541 I544 T678 R679 T684 L685 I686Q537-L682 HydrophobicContact CG-CD1 4.31Å; Q537-L682 HydrophobicContact CG-CD2 4.45Å; I540-L682 HydrophobicContact CB-CD1 4.15Å; I540-L682 HydrophobicContact CG2-CD1 3.77Å; L541-L682 HydrophobicContact CD2-CD1 3.88Å; L541-L682 HydrophobicContact CD2-CD2 4.02Å; L541-L682 HydrophobicContact CD2-CG 4.43Å; L541-L682 HydrophobicContact CG-CD1 3.78Å; L541-L682 HydrophobicContact CG-CD2 4.36Å; I544-L682 HydrophobicContact CD1-CB 3.87Å; I544-L682 HydrophobicContact CD1-CD1 4.18Å; T678-L682 WeakPolarHBondContact O-CB 3.45Å; T678-L682 PolarHBondContact O-N 2.76Å; R679-L682 PolarHBondContact O-N 2.92Å; L682-T684 VanDerWaalsContact C-N 3.3Å; L682-T684 PolarHBondContact O-N 3.43Å; L682-L685 PolarHBondContact O-N 3.15Å; L682-I686 HydrophobicContact CD1-CD1 3.52Å; L682-I686 HydrophobicContact CD1-CG1 3.94Å; L682-I686 HydrophobicContact CG-CD1 3.76Å; L682-I686 HydrophobicContact CG-CG1 4.41Å; L682-I686 WeakPolarHBondContact O-CB 3.34Å; L682-I686 VanDerWaalsContact O-CG1 3.29Å; L682-I686 WeakPolarHBondContact O-CG1 3.45Å; L682-I686 PolarHBondContact O-N 2.75Å
683D83.5Confident86Confident79 Ų7956 Ų5642%0.42229%0.291SS..Hα-helixtrans-62.2-40.1178.9-77.7-26.2000111.5R533 R679 S687R533-D683 IonicContact NH2-OD1 2.72Å; R533-D683 PolarHBondContact NH2-OD1 3.08Å; R679-D683 PolarHBondContact O-N 3.48Å; D683-S687 WeakPolarHBondContact O-CB 2.82Å; D683-S687 PolarHBondContact O-N 3.14Å
684T80.4Confident85.3Confident74 Ų7456 Ų5645%0.45429%0.292SS..Hα-helixtrans-66.3-50.8179.3-56.60000111.7S680 D681 L682 S687 M688S680-T684 WeakPolarHBondContact O-CB 3.39Å; S680-T684 PolarHBondContact O-N 3.46Å; S680-T684 PolarHBondContact O-OG1 2.81Å; D681-T684 PolarHBondContact O-N 3.22Å; L682-T684 VanDerWaalsContact C-N 3.3Å; L682-T684 PolarHBondContact O-N 3.43Å; T684-S687 WeakPolarHBondContact O-CB 3.32Å; T684-S687 PolarHBondContact O-N 3.28Å; T684-M688 HydrophobicContact CG2-SD 4.35Å; T684-M688 WeakPolarHBondContact O-CG 3.28Å; T684-M688 PolarHBondContact O-N 2.98Å
685L87.2Confident84.8Confident55 Ų5558 Ų5829%0.28829%0.291SS..Hα-helixtrans-71.1-41-176.2-69.7174000112I540 L543 I544 D681 L682 S687 M688 E689I540-L685 HydrophobicContact CG2-CB 3.48Å; I540-L685 VanDerWaalsContact CG2-CB 3.48Å; I540-L685 HydrophobicContact CG2-CD1 4.13Å; I540-L685 HydrophobicContact CG2-CG 4.48Å; L543-L685 HydrophobicContact CD2-CD1 4.36Å; I544-L685 HydrophobicContact CD1-CD1 4.19Å; I544-L685 HydrophobicContact CG1-CD1 3.7Å; D681-L685 VanDerWaalsContact O-CB 3.31Å; D681-L685 WeakPolarHBondContact O-CB 3.43Å; D681-L685 VanDerWaalsContact O-CG 3.3Å; D681-L685 WeakPolarHBondContact O-CG 3.36Å; D681-L685 PolarHBondContact O-N 3.33Å; L682-L685 PolarHBondContact O-N 3.15Å; L685-S687 PolarHBondContact O-N 3.44Å; L685-M688 PolarHBondContact O-N 3.36Å; L685-E689 WeakPolarHBondContact O-CB 3.32Å; L685-E689 PolarHBondContact O-N 2.6Å
686I87.3Confident83.7Confident2 Ų264.5 Ų64.51%0.0132%0.324CS..Hα-helixtrans-58-43.6169.8-76.4179.8000109.6R533 Q537 I540 L682 M688 E689 M690R533-I686 HydrophobicContact CG-CD1 4.35Å; R533-I686 HydrophobicContact CG-CG2 3.75Å; Q537-I686 HydrophobicContact CB-CD1 3.85Å; Q537-I686 HydrophobicContact CG-CD1 4.05Å; I540-I686 HydrophobicContact CB-CG1 4.1Å; I540-I686 HydrophobicContact CG1-CG1 3.94Å; I540-I686 HydrophobicContact CG2-CG1 4.08Å; L682-I686 HydrophobicContact CD1-CD1 3.52Å; L682-I686 HydrophobicContact CD1-CG1 3.94Å; L682-I686 HydrophobicContact CG-CD1 3.76Å; L682-I686 HydrophobicContact CG-CG1 4.41Å; L682-I686 WeakPolarHBondContact O-CB 3.34Å; L682-I686 VanDerWaalsContact O-CG1 3.29Å; L682-I686 WeakPolarHBondContact O-CG1 3.45Å; L682-I686 PolarHBondContact O-N 2.75Å; I686-M688 VanDerWaalsContact C-N 3.33Å; I686-M688 PolarHBondContact O-N 2.93Å; I686-E689 PolarHBondContact O-N 3.3Å; I686-M690 HydrophobicContact CG2-CG 4.03Å; I686-M690 VanDerWaalsContact O-CB 3.23Å; I686-M690 WeakPolarHBondContact O-CB 3.39Å; I686-M690 WeakPolarHBondContact O-CG 3.41Å; I686-M690 PolarHBondContact O-N 2.94Å
687S80.2Confident83Confident13 Ų1364.3 Ų64.39%0.09132%0.323CS..Hα-helixtrans-61.4-42.8179.7-167.60000112.2S520 F524 D683 T684 L685 K691S520-S687 PolarHBondContact O-OG 3.19Å; S520-S687 VanDerWaalsContact O-OG 3.12Å; S520-S687 PolarHBondContact OG-OG 3.48Å; F524-S687 VanDerWaalsContact CE1-CA 3.49Å; F524-S687 VanDerWaalsContact CZ-CA 3.48Å; F524-S687 WeakPolarHBondContact CZ-O 3.44Å; F524-S687 VanDerWaalsContact CZ-OG 3.31Å; F524-S687 WeakPolarHBondContact CZ-OG 3.47Å; D683-S687 WeakPolarHBondContact O-CB 2.82Å; D683-S687 PolarHBondContact O-N 3.14Å; T684-S687 WeakPolarHBondContact O-CB 3.32Å; T684-S687 PolarHBondContact O-N 3.28Å; L685-S687 PolarHBondContact O-N 3.44Å; S687-K691 WeakPolarHBondContact O-CG 3.16Å; S687-K691 PolarHBondContact O-N 2.85Å; S687-K691 VanDerWaalsContact O-N 3.1Å
688M80.8Confident81.9Confident112 Ų11269.4 Ų69.455%0.55235%0.346SS*.Hα-helixtrans-65.4-49.2175.8-68.3176.36300112.7T684 L685 I686 M690 K691 L692T684-M688 HydrophobicContact CG2-SD 4.35Å; T684-M688 WeakPolarHBondContact O-CG 3.28Å; T684-M688 PolarHBondContact O-N 2.98Å; L685-M688 PolarHBondContact O-N 3.36Å; I686-M688 VanDerWaalsContact C-N 3.33Å; I686-M688 PolarHBondContact O-N 2.93Å; M688-M690 PolarHBondContact O-N 3.35Å; M688-K691 WeakPolarHBondContact O-CB 3.45Å; M688-K691 PolarHBondContact O-N 3.11Å; M688-L692 WeakPolarHBondContact O-CG 3.36Å; M688-L692 PolarHBondContact O-N 3.03Å
689E86Confident80.7Confident44 Ų4477.1 Ų77.121%0.20639%0.387CS..Hα-helixtrans-62.2-43.6-178-179.460-159.900111.5I536 I540 L685 I686 K691 L692 R693I536-E689 HydrophobicContact CD1-CG 4.25Å; I536-E689 HydrophobicContact CG2-CB 4.43Å; I536-E689 HydrophobicContact CG2-CG 3.8Å; I540-E689 HydrophobicContact CD1-CB 4.08Å; I540-E689 HydrophobicContact CD1-CG 4.31Å; L685-E689 WeakPolarHBondContact O-CB 3.32Å; L685-E689 PolarHBondContact O-N 2.6Å; I686-E689 PolarHBondContact O-N 3.3Å; E689-K691 PolarHBondContact O-N 2.96Å; E689-L692 WeakPolarHBondContact O-CB 3.42Å; E689-L692 PolarHBondContact O-N 3.45Å; E689-R693 WeakPolarHBondContact O-CG 3.36Å; E689-R693 PolarHBondContact O-N 2.99Å; E689-R693 IonicContact OE1-CZ 3.23Å; E689-R693 VanDerWaalsContact OE1-CZ 3.3Å; E689-R693 IonicContact OE1-NE 2.71Å; E689-R693 PolarHBondContact OE1-NE 3.46Å; E689-R693 IonicContact OE1-NH2 2.82Å; E689-R693 PolarHBondContact OE1-NH2 3.16Å
690M82.3Confident79.8Confident0 Ų075.6 Ų75.60%039%0.388CS..Hα-helixtrans-62.5-42.2175.1-73.8-66.1-43.900112.3F524 I529 L532 R533 I536 I686 M688 L692 R693 L694F524-M690 HydrophobicContact CD1-CB 3.89Å; F524-M690 HydrophobicContact CD1-CG 3.79Å; F524-M690 HydrophobicContact CE1-CB 3.05Å; F524-M690 HydrophobicContact CE1-CG 3.35Å; F524-M690 HydrophobicContact CZ-CB 3.57Å; F524-M690 HydrophobicContact CZ-CG 4.35Å; I529-M690 HydrophobicContact CB-CE 4.39Å; I529-M690 HydrophobicContact CG2-CE 3.47Å; I529-M690 VanDerWaalsContact CG2-CE 3.47Å; L532-M690 HydrophobicContact CB-CE 4.32Å; L532-M690 HydrophobicContact CB-SD 4.3Å; L532-M690 HydrophobicContact CD2-CE 3.75Å; L532-M690 HydrophobicContact CD2-SD 4.01Å; L532-M690 HydrophobicContact CG-CE 4.11Å; L532-M690 HydrophobicContact CG-SD 3.84Å; R533-M690 HydrophobicContact CB-SD 4.35Å; I536-M690 HydrophobicContact CD1-SD 3.86Å; I686-M690 HydrophobicContact CG2-CG 4.03Å; I686-M690 VanDerWaalsContact O-CB 3.23Å; I686-M690 WeakPolarHBondContact O-CB 3.39Å; I686-M690 WeakPolarHBondContact O-CG 3.41Å; I686-M690 PolarHBondContact O-N 2.94Å; M688-M690 PolarHBondContact O-N 3.35Å; M690-L692 VanDerWaalsContact C-N 3.26Å; M690-L692 PolarHBondContact O-N 3.48Å; M690-R693 PolarHBondContact O-N 3.28Å; M690-L694 HydrophobicContact CE-CD1 3.94Å; M690-L694 HydrophobicContact CE-CG 4.26Å; M690-L694 WeakPolarHBondContact O-CB 3.39Å; M690-L694 WeakPolarHBondContact O-CG 3.46Å; M690-L694 PolarHBondContact O-N 2.97Å
691K80.2Confident79.2Confident105 Ų10577 Ų7746%0.45740%0.404SS..Hα-helixtrans-57.4-43.7173.7-77.9174.7-172.71730110.7S520 F524 S687 M688 E689 L694 L695S520-K691 VanDerWaalsContact OG-CE 3.29Å; S520-K691 WeakPolarHBondContact OG-CE 3.27Å; S520-K691 PolarHBondContact OG-NZ 3.44Å; F524-K691 HydrophobicContact CZ-CG 4.39Å; S687-K691 WeakPolarHBondContact O-CG 3.16Å; S687-K691 PolarHBondContact O-N 2.85Å; S687-K691 VanDerWaalsContact O-N 3.1Å; M688-K691 WeakPolarHBondContact O-CB 3.45Å; M688-K691 PolarHBondContact O-N 3.11Å; E689-K691 PolarHBondContact O-N 2.96Å; K691-L694 PolarHBondContact O-N 3.47Å; K691-L695 WeakPolarHBondContact O-CG 3.09Å; K691-L695 PolarHBondContact O-N 3.26Å
692L81.3Confident78.6Confident105 Ų10578.1 Ų78.155%0.5541%0.409SS..Hα-helixtrans-61.1-45.5176.8-67.8173.3000112.2M688 E689 M690 L694 L695M688-L692 WeakPolarHBondContact O-CG 3.36Å; M688-L692 PolarHBondContact O-N 3.03Å; E689-L692 WeakPolarHBondContact O-CB 3.42Å; E689-L692 PolarHBondContact O-N 3.45Å; M690-L692 VanDerWaalsContact C-N 3.26Å; M690-L692 PolarHBondContact O-N 3.48Å; L692-L694 VanDerWaalsContact C-N 3.25Å; L692-L694 PolarHBondContact O-N 2.87Å; L692-L695 HydrophobicContact CD2-CD1 3.79Å; L692-L695 WeakPolarHBondContact O-CB 3.01Å; L692-L695 PolarHBondContact O-N 2.79Å
693R82.6Confident77.8Confident123 Ų12380.5 Ų80.546%0.46443%0.425SS..Hα-helixtrans-66.7-26.8178.2-64.4-68.9178.3120.39.4113.3L532 I536 E689 M690L532-R693 HydrophobicContact CD2-CB 4.3Å; I536-R693 HydrophobicContact CD1-CG 4.19Å; E689-R693 WeakPolarHBondContact O-CG 3.36Å; E689-R693 PolarHBondContact O-N 2.99Å; E689-R693 IonicContact OE1-CZ 3.23Å; E689-R693 VanDerWaalsContact OE1-CZ 3.3Å; E689-R693 IonicContact OE1-NE 2.71Å; E689-R693 PolarHBondContact OE1-NE 3.46Å; E689-R693 IonicContact OE1-NH2 2.82Å; E689-R693 PolarHBondContact OE1-NH2 3.16Å; M690-R693 PolarHBondContact O-N 3.28Å
694L79.7Confident77.4Confident31 Ų3184.8 Ų84.816%0.16244%0.443CS..Hα-helixtrans-92.5-6179.9-63.4174.7000113.2I529 M690 K691 L692 D696 L697 E698 I702I529-L694 HydrophobicContact CD1-CD1 4.09Å; I529-L694 HydrophobicContact CD1-CD2 4.47Å; I529-L694 HydrophobicContact CG1-CD1 4.48Å; I529-L694 HydrophobicContact CG1-CD2 4.4Å; M690-L694 HydrophobicContact CE-CD1 3.94Å; M690-L694 HydrophobicContact CE-CG 4.26Å; M690-L694 WeakPolarHBondContact O-CB 3.39Å; M690-L694 WeakPolarHBondContact O-CG 3.46Å; M690-L694 PolarHBondContact O-N 2.97Å; K691-L694 PolarHBondContact O-N 3.47Å; L692-L694 VanDerWaalsContact C-N 3.25Å; L692-L694 PolarHBondContact O-N 2.87Å; L694-D696 VanDerWaalsContact C-N 3.3Å; L694-D696 PolarHBondContact O-N 2.84Å; L694-L697 HydrophobicContact CD2-CD1 4.11Å; L694-L697 CarbonylContact O-C 3.54Å; L694-L697 WeakPolarHBondContact O-CA 3.47Å; L694-L697 PolarHBondContact O-N 3.29Å; L694-E698 PolarHBondContact O-N 2.86Å; L694-I702 HydrophobicContact CD2-CD1 3.97Å
695L78.8Confident77.3Confident89 Ų8984.6 Ų84.647%0.46645%0.449SS..G310 helixtrans-55.2-43.9177.1-83.3167.1000112.2K691 L692 L697 E698K691-L695 WeakPolarHBondContact O-CG 3.09Å; K691-L695 PolarHBondContact O-N 3.26Å; L692-L695 HydrophobicContact CD2-CD1 3.79Å; L692-L695 WeakPolarHBondContact O-CB 3.01Å; L692-L695 PolarHBondContact O-N 2.79Å; L695-L697 PolarHBondContact O-N 2.97Å; L695-L697 VanDerWaalsContact O-N 3.17Å; L695-E698 VanDerWaalsContact O-CB 3.23Å; L695-E698 WeakPolarHBondContact O-CB 3.34Å; L695-E698 PolarHBondContact O-N 3.21Å; L695-E698 VanDerWaalsContact O-N 3.14Å
696D68.6Low76.9Confident150 Ų15087.3 Ų87.380%0.80247%0.47SS*.G310 helixtrans-69.5-12.4180-66.2-27.1000112.9L694L694-D696 VanDerWaalsContact C-N 3.3Å; L694-D696 PolarHBondContact O-N 2.84Å
697L71.3Confident76.7Confident73 Ų7391.8 Ų91.838%0.38250%0.499SS..G310 helixtrans-107.210.3178.5-59.1175.6000112L694 L695 N699 I700L694-L697 HydrophobicContact CD2-CD1 4.11Å; L694-L697 CarbonylContact O-C 3.54Å; L694-L697 WeakPolarHBondContact O-CA 3.47Å; L694-L697 PolarHBondContact O-N 3.29Å; L695-L697 PolarHBondContact O-N 2.97Å; L695-L697 VanDerWaalsContact O-N 3.17Å; L697-N699 PolarHBondContact O-N 3.35Å; L697-I700 HydrophobicContact CD2-CD1 4.32Å; L697-I700 WeakPolarHBondContact O-CB 3.35Å; L697-I700 PolarHBondContact O-N 3Å
698E65.6Low77.1Confident137 Ų13796.8 Ų96.864%0.6453%0.531SS*.THydrogen-bonded Turntrans-61.7121.2-179.8-161.1174-158.100109.9L694 L695 I700L694-E698 PolarHBondContact O-N 2.86Å; L695-E698 VanDerWaalsContact O-CB 3.23Å; L695-E698 WeakPolarHBondContact O-CB 3.34Å; L695-E698 PolarHBondContact O-N 3.21Å; L695-E698 VanDerWaalsContact O-N 3.14Å; E698-I700 VanDerWaalsContact C-N 3.33Å
699N65.8Low77.4Confident166 Ų16698.1 Ų98.189%0.88855%0.545SS*.THydrogen-bonded Turntrans72.310-171.8-45.1-73.3000116.5L697L697-N699 PolarHBondContact O-N 3.35Å
700I72.2Confident77.4Confident101 Ų101101.2 Ų101.252%0.51857%0.569SS.*SBendtrans-99128.2171.2-56.8-177.7000108.9L697 E698 I702L697-I700 HydrophobicContact CD2-CD1 4.32Å; L697-I700 WeakPolarHBondContact O-CB 3.35Å; L697-I700 PolarHBondContact O-N 3Å; E698-I700 VanDerWaalsContact C-N 3.33Å; I700-I702 PolarHBondContact O-N 2.99Å; I700-I702 VanDerWaalsContact O-N 3.16Å
701A71.8Confident77.6Confident95 Ų95110.8 Ų110.879%0.78561%0.611SS**  trans-66.4115.217500000110P703A701-P703 WeakPolarHBondContact O-CD 3.42Å
702I74.1Confident77.7Confident66 Ų66112.6 Ų112.634%0.33862%0.621SS.*  trans-74.6117.9177.2-61.2171.2000107.9P528 I529 L694 I700P528-I702 HydrophobicContact CB-CG2 4.37Å; P528-I702 HydrophobicContact CG-CG2 4.3Å; I529-I702 HydrophobicContact CD1-CD1 3.69Å; I529-I702 HydrophobicContact CG1-CD1 4.3Å; L694-I702 HydrophobicContact CD2-CD1 3.97Å; I700-I702 PolarHBondContact O-N 2.99Å; I700-I702 VanDerWaalsContact O-N 3.16Å
703P74.6Confident77.9Confident70 Ų70111.2 Ų111.246%0.45562%0.618SS.*  trans-70.8136.7-177.529.9-34.5000110.5P528 A701 A705 P707P528-P703 WeakPolarHBondContact CG-O 3.22Å; A701-P703 WeakPolarHBondContact O-CD 3.42Å; P703-A705 PolarHBondContact O-N 3.34Å; P703-P707 HydrophobicContact CG-CG 4.42Å
704E74.9Confident77.9Confident169 Ų169111.4 Ų111.479%0.7964%0.639SS**SBendtrans-61.3-28.4178.5-68.4-174.7171.200113
705A78.1Confident77.9Confident70 Ų70113.9 Ų113.958%0.57966%0.655SS**SBendtrans-121136174.400000110.4P703P703-A705 PolarHBondContact O-N 3.34Å
706P79.1Confident78.1Confident113 Ų113116.8 Ų116.873%0.73466%0.661SS**PPolyproline II helixtrans-61.3130177.423.9-31.8000110.2
707P83.8Confident78.6Confident95 Ų95116.3 Ų116.362%0.61766%0.658SS**PPolyproline II helixtrans-56.1144.1174.6-23.132.4000111P703 V709P703-P707 HydrophobicContact CG-CG 4.42Å; P707-V709 PolarHBondContact O-N 2.93Å
708P87.8Confident78.9Confident119 Ų119119.3 Ų119.377%0.77367%0.668SS**PPolyproline II helixtrans-62.3132.1-179.825.8-33.4000110.4P710P708-P710 WeakPolarHBondContact O-CD 3.08Å
709V87.6Confident78.9Confident139 Ų139118.3 Ų118.384%0.84267%0.672SS**PPolyproline II helixtrans-63.3122.1172.3-176.40000108P707P707-V709 PolarHBondContact O-N 2.93Å
710P86.6Confident78.9Confident110 Ų110118.9 Ų118.971%0.71466%0.663SS**PPolyproline II helixtrans-56.9151.5177-23.833.6000111.2P708 E712P708-P710 WeakPolarHBondContact O-CD 3.08Å; P710-E712 PolarHBondContact O-N 3.11Å
711K84.7Confident78.3Confident201 Ų201121.3 Ų121.387%0.87468%0.677SS**PPolyproline II helixtrans-56.1141.6172.7-69.8-175-180-178.80109.6
712E83.9Confident77.4Confident142 Ų142127 Ų12766%0.66468%0.679SS**PPolyproline II helixtrans-52.3138.8174.7-69.8-172.1-164.800110.2P710 S714 Y716P710-E712 PolarHBondContact O-N 3.11Å; E712-S714 PolarHBondContact O-N 3.33Å; E712-Y716 PolarHBondContact OE2-OH 3.08Å
713P84.1Confident76.1Confident77 Ų77130.7 Ų130.750%0.573%0.734SS.*PPolyproline II helixtrans-53.1137.8175.3-24.333.2000110.2T715P713-T715 PolarHBondContact O-N 3.2Å
714S83.8Confident76.2Confident127 Ų127133.7 Ų133.789%0.88875%0.748SS**SBendtrans-61.4-12176.850.30000113.5E712E712-S714 PolarHBondContact O-N 3.33Å
715T79.9Confident76.2Confident82 Ų82131.8 Ų131.850%0.50375%0.746SS.*  trans-145.3131.6178.358.90000110.4P713 N717P713-T715 PolarHBondContact O-N 3.2Å; T715-N717 PolarHBondContact O-N 3.02Å
716Y83.1Confident76.1Confident151 Ų151135.3 Ų135.359%0.59276%0.755SS**  trans-81.620.3171.6-55.1-73.6000113.4E712 F718E712-Y716 PolarHBondContact OE2-OH 3.08Å; Y716-F718 VanDerWaalsContact C-N 3.27Å; Y716-F718 HydrophobicContact CD1-CE2 4.43Å; Y716-F718 AromaticContact CD1-CZ 3.96Å; Y716-F718 HydrophobicContact CD1-CZ 3.96Å; Y716-F718 WeakPolarHBondContact O-CD2 3.47Å; Y716-F718 WeakPolarHBondContact O-CE2 3.1Å; Y716-F718 PolarHBondContact O-N 2.96Å
717N77.6Confident76Confident140 Ų140136.6 Ų136.675%0.74976%0.756SS**  trans-78.978.5171.9-82.1-14.5000109.2T715 T719T715-N717 PolarHBondContact O-N 3.02Å; N717-T719 PolarHBondContact O-N 3.34Å
718F78.4Confident75.5Confident136 Ų136139.2 Ų139.260%0.59677%0.765SS**  trans-69.6109.7177.9-53.6-74.5000110.2Y716 Y720Y716-F718 VanDerWaalsContact C-N 3.27Å; Y716-F718 HydrophobicContact CD1-CE2 4.43Å; Y716-F718 AromaticContact CD1-CZ 3.96Å; Y716-F718 HydrophobicContact CD1-CZ 3.96Å; Y716-F718 WeakPolarHBondContact O-CD2 3.47Å; Y716-F718 WeakPolarHBondContact O-CE2 3.1Å; Y716-F718 PolarHBondContact O-N 2.96Å; F718-Y720 HydrophobicContact CB-CE2 4.32Å
719T64.7Low74.7Confident116 Ų116140.5 Ų140.571%0.71276%0.764SS**  trans-94.7105.9167.549.90000108.9N717 N721N717-T719 PolarHBondContact O-N 3.34Å; T719-N721 PolarHBondContact O-N 2.85Å
720Y65.4Low73.7Confident177 Ų177140.6 Ų140.669%0.69476%0.759SS**  trans-77.197.1163.5-66.7-84.4000107.6F718 Y722F718-Y720 HydrophobicContact CB-CE2 4.32Å; Y720-Y722 VanDerWaalsContact C-N 3.27Å; Y720-Y722 HydrophobicContact CG-CE2 4.49Å; Y720-Y722 PolarHBondContact O-N 3.35Å
721N60.5Low72.8Confident152 Ų152143 Ų14381%0.81376%0.762SS**  trans-71.290.4166.7-79.4-14.9000107.7T719 G723T719-N721 PolarHBondContact O-N 2.85Å; N721-G723 PolarHBondContact O-N 2.68Å; N721-G723 VanDerWaalsContact O-N 3.08Å
722Y52.2Low71.8Confident214 Ų214138.2 Ų138.284%0.83975%0.753SS**  trans-74.486.5157.9-74.3-82.1000107.1Y720Y720-Y722 VanDerWaalsContact C-N 3.27Å; Y720-Y722 HydrophobicContact CG-CE2 4.49Å; Y720-Y722 PolarHBondContact O-N 3.35Å
723G47.6Very low70.7Confident144 Ų144137.8 Ų137.8100%1.48576%0.761SS**  trans-97.90169.600000110.7N721N721-G723 PolarHBondContact O-N 2.68Å; N721-G723 VanDerWaalsContact O-N 3.08Å

Retrieved 723 of 723 residues in 671.7 ms (Link to these results)

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