A0A060WMG6_ONCMY Loading...

ELMO domain-containing protein

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 304.4 ms (Link to these results)

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