G4VTB5_SCHMA Loading...

Putative placenta-specificprotein 8 protein (C15 protein) (Onzin)

AlphaFold DB , UniProt , Accession G4VTB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 aa.

						>G4VTB5_SCHMA|G4VTB5
MDSPTTKQPYAVRQRDWHDGLFDCTNDCNSCWLVLCCYPCYMCYMYRRYDECCATPCFIICPGFTLRAYHRAKHNIQGTLCKDYLKEYFCPLCAACQLDRDMKYVEATSGILNV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	63.3	Low	78.1	Confident	242 Å²	242	154.5 Å²	154.5	100%	1.192	85%	0.848	S	S	*	*				0	106.8	0	-75.9	177.1	175.3	0	0	105.8	S3	M1-S3 PolarHBondContact O-N 3.32Å
2	D	74	Confident	78.8	Confident	167 Å²	167	149.2 Å²	149.2	89%	0.893	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.2	128.2	171.1	-64.9	-47.2	0	0	0	107.9
3	S	76.5	Confident	79.8	Confident	111 Å²	111	155.2 Å²	155.2	78%	0.776	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-54	141.5	176.2	-83	0	0	0	0	110.1	M1 T5	M1-S3 PolarHBondContact O-N 3.32Å; S3-T5 PolarHBondContact O-N 3.43Å
4	P	76.6	Confident	80.8	Confident	112 Å²	112	152.1 Å²	152.1	73%	0.727	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-57.8	133.4	175.1	22.5	-30.7	0	0	0	110.1	T6	P4-T6 PolarHBondContact O-N 2.99Å; P4-T6 PolarHBondContact O-OG1 3.48Å
5	T	75.6	Confident	81.8	Confident	141 Å²	141	145.9 Å²	145.9	87%	0.865	77%	0.765	S	S	*	*			trans	-63.5	99.5	173	25	0	0	0	0	110.1	S3	S3-T5 PolarHBondContact O-N 3.43Å
6	T	79.9	Confident	82.8	Confident	132 Å²	132	143.1 Å²	143.1	81%	0.81	75%	0.751	S	S	*	*			trans	-85.1	-13.8	178.4	-45.5	0	0	0	0	113.3	P4	P4-T6 PolarHBondContact O-N 2.99Å; P4-T6 PolarHBondContact O-OG1 3.48Å
7	K	81.5	Confident	83.6	Confident	196 Å²	196	136.1 Å²	136.1	85%	0.852	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-97.4	118.9	179.8	-65.6	-168.7	179.2	-176.4	0	110.5
8	Q	82.4	Confident	84.4	Confident	182 Å²	182	133.8 Å²	133.8	85%	0.85	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-69.8	142.4	168.6	-64.5	176.9	-72.7	0	0	109.3	Y10	Q8-Y10 PolarHBondContact O-N 3.31Å
9	P	80.9	Confident	85	Confident	124 Å²	124	128.2 Å²	128.2	81%	0.805	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-60.7	133.7	169.3	26	-31.9	0	0	0	108.8
10	Y	84.9	Confident	85.6	Confident	199 Å²	199	123.2 Å²	123.2	78%	0.78	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.2	152.5	169.6	55.7	-88.2	0	0	0	109.3	Q8 V12	Q8-Y10 PolarHBondContact O-N 3.31Å; Y10-V12 PolarHBondContact O-N 3.33Å
11	A	83.7	Confident	86.2	Confident	94 Å²	94	118.8 Å²	118.8	78%	0.777	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-58.8	128.4	172.8	0	0	0	0	0	109.5	R13	A11-R13 PolarHBondContact O-N 3.29Å
12	V	86.3	Confident	87.8	Confident	90 Å²	90	114.4 Å²	114.4	55%	0.545	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-59.3	128	178.6	-177.3	0	0	0	0	108.9	Y10 Q14 N75	Y10-V12 PolarHBondContact O-N 3.33Å; V12-Q14 PolarHBondContact O-N 2.97Å; V12-N75 HydrophobicContact CG1-CB 4.24Å
13	R	91.7	Very high	88.9	Confident	227 Å²	227	109.7 Å²	109.7	86%	0.857	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-64.1	122.2	179	-177.9	178.5	177.6	-179.6	-0.2	109.2	A11	A11-R13 PolarHBondContact O-N 3.29Å
14	Q	93.7	Very high	89.7	Confident	112 Å²	112	106.1 Å²	106.1	52%	0.523	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-79.1	149.1	173.5	-63.1	-178.4	-36.2	0	0	110.8	V12 N75 Q77	V12-Q14 PolarHBondContact O-N 2.97Å; Q14-N75 CarbonylContact C-O 3.58Å; Q14-N75 WeakPolarHBondContact CA-O 3.44Å; Q14-N75 WeakPolarHBondContact CB-O 3.47Å; Q14-Q77 HydrophobicContact CB-CB 4.12Å
15	R	96	Very high	90.6	Very high	60 Å²	60	106 Å²	106	23%	0.226	55%	0.547	C	S	.	.	B	Isolated β-bridge	trans	-116.1	166.5	174.1	68	162.8	180	101.7	-10	111.6	H74 N75 I76 Q77 D101	R15-H74 PolarHBondContact NE-O 2.98Å; R15-N75 PolarHBondContact N-O 3.5Å; R15-I76 HydrophobicContact CG-CG1 4.11Å; R15-I76 CarbonylContact O-C 3.48Å; R15-I76 VanDerWaalsContact O-CA 3.26Å; R15-I76 WeakPolarHBondContact O-CA 3.45Å; R15-Q77 PolarHBondContact O-N 3.09Å; R15-D101 IonicContact CZ-OD1 2.86Å; R15-D101 IonicContact CZ-OD2 3.11Å; R15-D101 IonicContact NH1-OD1 2.83Å; R15-D101 PolarHBondContact NH1-OD1 3.31Å; R15-D101 IonicContact NH1-OD2 3.87Å; R15-D101 PolarHBondContact NH1-OD2 2.91Å; R15-D101 VanDerWaalsContact NH1-OD2 3.11Å; R15-D101 IonicContact NH2-OD1 3.97Å; R15-D101 IonicContact NH2-OD2 3.83Å; R15-D101 PolarHBondContact NH2-OD2 2.05Å
16	D	97.2	Very high	91.6	Very high	100 Å²	100	103.9 Å²	103.9	54%	0.535	53%	0.531	S	S	.	.			trans	-82.9	166.5	167.6	-86.4	-58.8	0	0	0	112.6	Q77	D16-Q77 WeakPolarHBondContact OD1-CG 3.42Å; D16-Q77 PolarHBondContact OD1-NE2 3.47Å; D16-Q77 PolarHBondContact OD2-NE2 3.15Å
17	W	97.9	Very high	92.4	Very high	25 Å²	25	99.1 Å²	99.1	10%	0.095	50%	0.5	C	S	.	.			trans	-58.8	143.8	162.3	-68.2	88.9	0	0	0	109.3	D19 R67 H70 R71 I76 Q97 L98 D101	W17-D19 VanDerWaalsContact C-N 3.31Å; W17-D19 WeakPolarHBondContact CB-O 3.42Å; W17-D19 PolarHBondContact O-N 2.89Å; W17-R67 HydrophobicContact CH2-CG 3.96Å; W17-R67 HydrophobicContact CZ2-CG 3.97Å; W17-R67 VanDerWaalsContact CZ2-NH1 3.33Å; W17-H70 AromaticContact CH2-CD2 3.75Å; W17-H70 AromaticContact CZ3-CD2 3.6Å; W17-H70 AromaticContact CZ3-NE2 3.93Å; W17-R71 HydrophobicContact CZ2-CB 4.27Å; W17-R71 HydrophobicContact CZ2-CG 4.42Å; W17-I76 HydrophobicContact CD2-CD1 4.22Å; W17-I76 HydrophobicContact CD2-CG2 3.99Å; W17-I76 HydrophobicContact CE3-CD1 4Å; W17-I76 HydrophobicContact CG-CG2 3.94Å; W17-I76 HydrophobicContact CH2-CD1 4.2Å; W17-I76 HydrophobicContact CZ2-CD1 4.41Å; W17-I76 HydrophobicContact CZ2-CG2 4.34Å; W17-I76 HydrophobicContact CZ3-CD1 3.99Å; W17-Q97 HydrophobicContact CD2-CG 4.41Å; W17-Q97 HydrophobicContact CE3-CG 4.15Å; W17-L98 HydrophobicContact CH2-CD1 3.98Å; W17-L98 HydrophobicContact CZ3-CD1 3.9Å; W17-D101 WeakPolarHBondContact CA-OD1 3.44Å; W17-D101 HydrophobicContact CE3-CB 3.71Å; W17-D101 HydrophobicContact CZ3-CB 3.92Å
18	H	96.9	Very high	93.1	Very high	95 Å²	95	93.6 Å²	93.6	44%	0.44	49%	0.486	S	S	.	.	S	Bend	trans	-58.6	-43.7	179.7	-178.9	60.9	0	0	0	112.1	D101 Y104	H18-D101 PolarHBondContact N-OD1 2.98Å; H18-Y104 HydrophobicContact CB-CD1 3.93Å; H18-Y104 HydrophobicContact CB-CD2 4.41Å; H18-Y104 HydrophobicContact CB-CG 3.81Å; H18-Y104 AromaticContact CE1-CD2 3.38Å; H18-Y104 WeakPolarHBondContact CE1-CD2 3.21Å; H18-Y104 AromaticContact CE1-CE2 3.82Å; H18-Y104 AromaticContact CG-CD2 3.7Å; H18-Y104 AromaticContact CG-CG 3.54Å; H18-Y104 AromaticContact ND1-CD2 3.16Å; H18-Y104 WeakPolarHBondContact ND1-CD2 3.37Å; H18-Y104 AromaticContact ND1-CE2 3.5Å; H18-Y104 WeakPolarHBondContact ND1-CE2 3.06Å; H18-Y104 AromaticContact ND1-CG 3.48Å; H18-Y104 AromaticContact NE2-CD2 3.99Å
19	D	96.6	Very high	93.8	Very high	26 Å²	26	90.3 Å²	90.3	14%	0.139	47%	0.474	C	S	.	.	S	Bend	trans	-124	161.7	178.2	-70.5	-47.2	0	0	0	111.7	W17 D23 N26 Q97 R100	W17-D19 VanDerWaalsContact C-N 3.31Å; W17-D19 WeakPolarHBondContact CB-O 3.42Å; W17-D19 PolarHBondContact O-N 2.89Å; D19-D23 HydrophobicContact CB-CB 4.29Å; D19-N26 PolarHBondContact OD1-ND2 3.45Å; D19-Q97 PolarHBondContact O-NE2 3.38Å; D19-R100 WeakPolarHBondContact OD2-CD 2.96Å; D19-R100 IonicContact OD2-CZ 2.82Å; D19-R100 IonicContact OD2-NE 2.88Å; D19-R100 PolarHBondContact OD2-NE 3.04Å
20	G	97	Very high	94.5	Very high	29 Å²	29	85 Å²	85	30%	0.299	44%	0.439	S	S	.	.			trans	-68.1	166	168.6	0	0	0	0	0	113.3	F22 D23 Q97 R100	G20-F22 VanDerWaalsContact C-N 3.32Å; G20-F22 PolarHBondContact O-N 3.09Å; G20-D23 WeakPolarHBondContact CA-OD2 3.47Å; G20-D23 PolarHBondContact N-OD2 3.15Å; G20-Q97 VanDerWaalsContact C-NE2 3.32Å; G20-R100 PolarHBondContact O-NH2 3.46Å
21	L	97.3	Very high	95.1	Very high	31 Å²	31	76.3 Å²	76.3	16%	0.162	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-38.7	-176.8	-177	64.8	0	0	0	112	K86 C93 A94 Q97	L21-K86 HydrophobicContact CD1-CB 4.44Å; L21-K86 HydrophobicContact CD1-CD 4.47Å; L21-K86 HydrophobicContact CD2-CB 4.43Å; L21-K86 HydrophobicContact CD2-CG 4.08Å; L21-C93 HydrophobicContact CD1-CB 4.12Å; L21-C93 HydrophobicContact CG-CB 4.12Å; L21-C93 WeakPolarHBondContact O-CB 3.26Å; L21-A94 HydrophobicContact CD1-CB 4.17Å; L21-Q97 HydrophobicContact CD1-CB 4.41Å
22	F	96.7	Very high	95.8	Very high	150 Å²	150	80.1 Å²	80.1	66%	0.658	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	7.3	-173.9	-61.2	-68.3	0	0	0	113.9	G20 C24 C90 C93	G20-F22 VanDerWaalsContact C-N 3.32Å; G20-F22 PolarHBondContact O-N 3.09Å; F22-C24 PolarHBondContact O-N 2.92Å; F22-C90 HydrophobicContact CE1-CB 4.37Å; F22-C93 HydrophobicContact CD1-CB 4.34Å; F22-C93 HydrophobicContact CE1-CB 4.42Å
23	D	97	Very high	96.3	Very high	67 Å²	67	79.8 Å²	79.8	36%	0.358	40%	0.397	S	S	.	.			trans	-79.7	43.7	179.2	-59.3	-24.4	0	0	0	111.6	D19 G20 T25 N26 R100	D19-D23 HydrophobicContact CB-CB 4.29Å; G20-D23 WeakPolarHBondContact CA-OD2 3.47Å; G20-D23 PolarHBondContact N-OD2 3.15Å; D23-T25 PolarHBondContact O-N 3.02Å; D23-T25 VanDerWaalsContact O-N 3.11Å; D23-N26 WeakPolarHBondContact O-CB 3.49Å; D23-N26 PolarHBondContact O-N 2.66Å; D23-N26 VanDerWaalsContact O-N 3.09Å; D23-R100 PolarHBondContact O-NH1 3.19Å; D23-R100 PolarHBondContact O-NH2 3Å
24	C	94.2	Very high	96.6	Very high	36 Å²	36	69 Å²	69	24%	0.243	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-61.9	-19.8	-178.1	-62.4	0	0	0	0	112.6	F22 N26 D27 C28 C31	F22-C24 PolarHBondContact O-N 2.92Å; C24-N26 VanDerWaalsContact C-N 3.27Å; C24-N26 PolarHBondContact O-N 3.1Å; C24-D27 CarbonylContact O-C 3.31Å; C24-D27 VanDerWaalsContact O-C 3.31Å; C24-D27 PolarHBondContact O-N 3.15Å; C24-C28 PolarHBondContact O-N 3.18Å; C24-C31 HydrophobicContact CB-CB 4.34Å
25	T	95.1	Very high	96.7	Very high	109 Å²	109	68.4 Å²	68.4	67%	0.669	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.4	176.6	52.3	0	0	0	0	113.8	D23 D27	D23-T25 PolarHBondContact O-N 3.02Å; D23-T25 VanDerWaalsContact O-N 3.11Å; T25-D27 PolarHBondContact O-N 2.65Å
26	N	96.8	Very high	96.8	Very high	97 Å²	97	70.3 Å²	70.3	52%	0.519	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.2	177.1	-66.8	-1.2	0	0	0	111.9	D19 D23 C24	D19-N26 PolarHBondContact OD1-ND2 3.45Å; D23-N26 WeakPolarHBondContact O-CB 3.49Å; D23-N26 PolarHBondContact O-N 2.66Å; D23-N26 VanDerWaalsContact O-N 3.09Å; C24-N26 VanDerWaalsContact C-N 3.27Å; C24-N26 PolarHBondContact O-N 3.1Å
27	D	96.5	Very high	96.8	Very high	33 Å²	33	67.5 Å²	67.5	18%	0.176	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-151.2	70.4	171.5	-164.9	-25	0	0	0	111	C24 T25 N29 S30 C31 R100 K103	C24-D27 CarbonylContact O-C 3.31Å; C24-D27 VanDerWaalsContact O-C 3.31Å; C24-D27 PolarHBondContact O-N 3.15Å; T25-D27 PolarHBondContact O-N 2.65Å; D27-N29 PolarHBondContact O-N 3.17Å; D27-S30 VanDerWaalsContact CG-CB 3.47Å; D27-S30 PolarHBondContact O-N 3.31Å; D27-S30 WeakPolarHBondContact OD1-CB 3.47Å; D27-S30 PolarHBondContact OD1-N 3.04Å; D27-S30 PolarHBondContact OD1-OG 3.31Å; D27-S30 PolarHBondContact OD2-OG 3.25Å; D27-C31 WeakPolarHBondContact O-CB 3.12Å; D27-C31 PolarHBondContact O-N 2.71Å; D27-R100 HydrophobicContact CB-CG 3.8Å; D27-K103 IonicContact OD2-NZ 3.02Å; D27-K103 PolarHBondContact OD2-NZ 3.45Å
28	C	96.3	Very high	96.8	Very high	80 Å²	80	68.6 Å²	68.6	54%	0.541	37%	0.37	S	S	.	.	H	α-helix	trans	-56.6	-37.3	-179.5	-69.8	0	0	0	0	112.8	C24 W32	C24-C28 PolarHBondContact O-N 3.18Å; C28-W32 WeakPolarHBondContact O-CB 2.91Å; C28-W32 PolarHBondContact O-N 3.04Å
29	N	97.1	Very high	96.7	Very high	113 Å²	113	68.2 Å²	68.2	60%	0.604	38%	0.376	S	S	*	.	H	α-helix	trans	-64.3	-51.6	-176.6	-177.4	-88	0	0	0	110.6	D27 C31 W32 L33	D27-N29 PolarHBondContact O-N 3.17Å; N29-C31 VanDerWaalsContact C-N 3.34Å; N29-C31 PolarHBondContact O-N 3.15Å; N29-W32 WeakPolarHBondContact O-CB 3.26Å; N29-W32 PolarHBondContact O-N 3.18Å; N29-L33 WeakPolarHBondContact O-CG 3.15Å; N29-L33 PolarHBondContact O-N 3Å
30	S	96.6	Very high	96.7	Very high	11 Å²	11	70.7 Å²	70.7	8%	0.077	39%	0.394	C	S	.	.	H	α-helix	trans	-68.2	-37.9	-178.3	-52.3	0	0	0	0	111.2	D27 W32 L33 V34 Y41 K103	D27-S30 VanDerWaalsContact CG-CB 3.47Å; D27-S30 PolarHBondContact O-N 3.31Å; D27-S30 WeakPolarHBondContact OD1-CB 3.47Å; D27-S30 PolarHBondContact OD1-N 3.04Å; D27-S30 PolarHBondContact OD1-OG 3.31Å; D27-S30 PolarHBondContact OD2-OG 3.25Å; S30-W32 VanDerWaalsContact C-N 3.32Å; S30-W32 PolarHBondContact O-N 3.09Å; S30-L33 WeakPolarHBondContact O-CB 3.48Å; S30-L33 PolarHBondContact O-N 3.31Å; S30-L33 VanDerWaalsContact O-N 3.15Å; S30-V34 WeakPolarHBondContact O-CG2 3.42Å; S30-V34 PolarHBondContact O-N 3.11Å; S30-Y41 WeakPolarHBondContact CB-OH 3.38Å; S30-K103 PolarHBondContact OG-NZ 2.95Å
31	C	97	Very high	96.8	Very high	17 Å²	17	70.2 Å²	70.2	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-34.5	173.7	-79.1	0	0	0	0	113.7	C24 D27 N29 V34 L35 C96	C24-C31 HydrophobicContact CB-CB 4.34Å; D27-C31 WeakPolarHBondContact O-CB 3.12Å; D27-C31 PolarHBondContact O-N 2.71Å; N29-C31 VanDerWaalsContact C-N 3.34Å; N29-C31 PolarHBondContact O-N 3.15Å; C31-V34 PolarHBondContact O-N 3.14Å; C31-L35 WeakPolarHBondContact O-CB 3.39Å; C31-L35 PolarHBondContact O-N 2.95Å; C31-C96 WeakPolarHBondContact CA-SG 3.19Å; C31-C96 HydrophobicContact CB-CB 4.46Å; C31-C96 WeakPolarHBondContact CB-SG 3.44Å; C31-C96 WeakPolarHBondContact SG-CB 3.4Å; C31-C96 CovalentContact SG-SG 2.05Å; C31-C96 PolarHBondContact SG-SG 3.14Å
32	W	97.5	Very high	96.8	Very high	175 Å²	175	68.8 Å²	68.8	66%	0.663	38%	0.376	S	S	*	.	H	α-helix	trans	-66.5	-38.5	171.7	-175.1	-103.4	0	0	0	112	C28 N29 S30 L35 C36	C28-W32 WeakPolarHBondContact O-CB 2.91Å; C28-W32 PolarHBondContact O-N 3.04Å; N29-W32 WeakPolarHBondContact O-CB 3.26Å; N29-W32 PolarHBondContact O-N 3.18Å; S30-W32 VanDerWaalsContact C-N 3.32Å; S30-W32 PolarHBondContact O-N 3.09Å; W32-L35 HydrophobicContact CE3-CD2 3.94Å; W32-L35 HydrophobicContact CZ3-CD2 3.81Å; W32-L35 PolarHBondContact O-N 2.9Å; W32-C36 VanDerWaalsContact O-CB 3.26Å; W32-C36 WeakPolarHBondContact O-CB 3.29Å; W32-C36 PolarHBondContact O-N 3.33Å
33	L	97.9	Very high	96.8	Very high	82 Å²	82	63 Å²	63	43%	0.429	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-41.6	174.6	-65.3	175.1	0	0	0	112.2	N29 S30 L35 C36 C37 Y41	N29-L33 WeakPolarHBondContact O-CG 3.15Å; N29-L33 PolarHBondContact O-N 3Å; S30-L33 WeakPolarHBondContact O-CB 3.48Å; S30-L33 PolarHBondContact O-N 3.31Å; S30-L33 VanDerWaalsContact O-N 3.15Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.35Å; L33-C36 PolarHBondContact O-N 2.64Å; L33-C37 PolarHBondContact O-N 2.92Å; L33-Y41 HydrophobicContact CB-CD2 3.7Å; L33-Y41 HydrophobicContact CB-CE2 3.7Å; L33-Y41 HydrophobicContact CD1-CE2 4.2Å
34	V	97.6	Very high	96.9	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-46.1	172.1	172.4	0	0	0	0	110.6	S30 C31 C37 Y38 Y41 L92 A95	S30-V34 WeakPolarHBondContact O-CG2 3.42Å; S30-V34 PolarHBondContact O-N 3.11Å; C31-V34 PolarHBondContact O-N 3.14Å; V34-C37 CarbonylContact O-C 3.49Å; V34-Y38 HydrophobicContact CG1-CD2 3.99Å; V34-Y38 VanDerWaalsContact O-CA 3.23Å; V34-Y38 WeakPolarHBondContact O-CA 3.34Å; V34-Y38 WeakPolarHBondContact O-CB 3.36Å; V34-Y38 PolarHBondContact O-N 3.41Å; V34-Y41 HydrophobicContact CB-CD1 4.5Å; V34-Y41 HydrophobicContact CB-CG 4.42Å; V34-Y41 HydrophobicContact CG2-CD1 3.32Å; V34-Y41 HydrophobicContact CG2-CD2 4.07Å; V34-Y41 HydrophobicContact CG2-CE1 3.55Å; V34-Y41 HydrophobicContact CG2-CE2 4.26Å; V34-Y41 HydrophobicContact CG2-CG 3.6Å; V34-L92 HydrophobicContact CG1-CB 4.46Å; V34-L92 HydrophobicContact CG1-CD2 4.13Å; V34-A95 HydrophobicContact CG1-CB 3.97Å
35	L	96.6	Very high	97.1	Very high	99 Å²	99	62.1 Å²	62.1	52%	0.518	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-39	178.5	179.4	64.4	0	0	0	112.3	C31 W32 L33 L92	C31-L35 WeakPolarHBondContact O-CB 3.39Å; C31-L35 PolarHBondContact O-N 2.95Å; W32-L35 HydrophobicContact CE3-CD2 3.94Å; W32-L35 HydrophobicContact CZ3-CD2 3.81Å; W32-L35 PolarHBondContact O-N 2.9Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.35Å; L35-L92 HydrophobicContact CD1-CD1 3.52Å
36	C	97.6	Very high	97.2	Very high	100 Å²	100	57.3 Å²	57.3	68%	0.676	31%	0.31	S	S	*	.	H	α-helix	trans	-68.8	-45.5	-177.9	-175.4	0	0	0	0	112.7	W32 L33	W32-C36 VanDerWaalsContact O-CB 3.26Å; W32-C36 WeakPolarHBondContact O-CB 3.29Å; W32-C36 PolarHBondContact O-N 3.33Å; L33-C36 PolarHBondContact O-N 2.64Å
37	C	97.1	Very high	97.2	Very high	42 Å²	42	59.5 Å²	59.5	28%	0.284	31%	0.311	S	S	.	.			trans	-146.5	84.7	172.9	-174	0	0	0	0	111.5	L33 V34 C40 Y41	L33-C37 PolarHBondContact O-N 2.92Å; V34-C37 CarbonylContact O-C 3.49Å; C37-C40 HydrophobicContact CB-CB 3.72Å; C37-C40 WeakPolarHBondContact CB-SG 3.29Å; C37-C40 PolarHBondContact O-N 3.3Å; C37-C40 WeakPolarHBondContact SG-CB 3.4Å; C37-C40 PolarHBondContact SG-N 3.41Å; C37-C40 CovalentContact SG-SG 2.06Å; C37-C40 PolarHBondContact SG-SG 3.18Å; C37-Y41 WeakPolarHBondContact O-CB 3.48Å; C37-Y41 PolarHBondContact O-N 3.03Å
38	Y	96.5	Very high	97.2	Very high	48 Å²	48	59.2 Å²	59.2	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-54.1	-47.2	176.9	176.9	-85.5	0	0	0	112.9	V34 C40 Y41 M42 E87 P91 L92 A95	V34-Y38 HydrophobicContact CG1-CD2 3.99Å; V34-Y38 VanDerWaalsContact O-CA 3.23Å; V34-Y38 WeakPolarHBondContact O-CA 3.34Å; V34-Y38 WeakPolarHBondContact O-CB 3.36Å; V34-Y38 PolarHBondContact O-N 3.41Å; Y38-C40 PolarHBondContact O-N 3.3Å; Y38-Y41 PolarHBondContact O-N 3.01Å; Y38-M42 HydrophobicContact CD1-CG 3.93Å; Y38-M42 HydrophobicContact CE1-CG 3.48Å; Y38-M42 VanDerWaalsContact CE1-CG 3.48Å; Y38-M42 HydrophobicContact CE1-SD 4.3Å; Y38-M42 HydrophobicContact CE2-CG 4.19Å; Y38-M42 HydrophobicContact CE2-SD 4.16Å; Y38-M42 HydrophobicContact CG-CG 4.42Å; Y38-M42 WeakPolarHBondContact O-CG 3.32Å; Y38-M42 PolarHBondContact O-N 3.38Å; Y38-E87 PolarHBondContact OH-OE1 2.86Å; Y38-P91 HydrophobicContact CE2-CB 4.44Å; Y38-L92 HydrophobicContact CD2-CD2 3.6Å; Y38-L92 HydrophobicContact CE2-CD2 4.4Å; Y38-L92 HydrophobicContact CG-CD2 4.17Å; Y38-A95 HydrophobicContact CD2-CB 4.29Å; Y38-A95 HydrophobicContact CE2-CB 3.73Å
39	P	95.7	Very high	97.2	Very high	87 Å²	87	55.4 Å²	55.4	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-44.2	178.3	-24.8	35.2	0	0	0	113.1	Y41 M42 C43	P39-Y41 VanDerWaalsContact C-N 3.33Å; P39-Y41 PolarHBondContact O-N 3.32Å; P39-M42 PolarHBondContact O-N 2.96Å; P39-C43 PolarHBondContact O-N 3.28Å; P39-C43 PolarHBondContact O-SG 2.66Å
40	C	96.9	Very high	97.2	Very high	77 Å²	77	56.3 Å²	56.3	52%	0.52	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-42.1	178.1	-48.1	0	0	0	0	111.4	C37 Y38 C43 Y44	C37-C40 HydrophobicContact CB-CB 3.72Å; C37-C40 WeakPolarHBondContact CB-SG 3.29Å; C37-C40 PolarHBondContact O-N 3.3Å; C37-C40 WeakPolarHBondContact SG-CB 3.4Å; C37-C40 PolarHBondContact SG-N 3.41Å; C37-C40 CovalentContact SG-SG 2.06Å; C37-C40 PolarHBondContact SG-SG 3.18Å; Y38-C40 PolarHBondContact O-N 3.3Å; C40-C43 WeakPolarHBondContact O-CB 3.36Å; C40-C43 PolarHBondContact O-N 3.33Å; C40-Y44 PolarHBondContact O-N 2.88Å
41	Y	98	Very high	97.1	Very high	19 Å²	19	59.8 Å²	59.8	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-36.8	-179.5	-154.7	-84.6	0	0	0	111.4	S30 L33 V34 C37 Y38 P39 Y44 M45 D99	S30-Y41 WeakPolarHBondContact CB-OH 3.38Å; L33-Y41 HydrophobicContact CB-CD2 3.7Å; L33-Y41 HydrophobicContact CB-CE2 3.7Å; L33-Y41 HydrophobicContact CD1-CE2 4.2Å; V34-Y41 HydrophobicContact CB-CD1 4.5Å; V34-Y41 HydrophobicContact CB-CG 4.42Å; V34-Y41 HydrophobicContact CG2-CD1 3.32Å; V34-Y41 HydrophobicContact CG2-CD2 4.07Å; V34-Y41 HydrophobicContact CG2-CE1 3.55Å; V34-Y41 HydrophobicContact CG2-CE2 4.26Å; V34-Y41 HydrophobicContact CG2-CG 3.6Å; C37-Y41 WeakPolarHBondContact O-CB 3.48Å; C37-Y41 PolarHBondContact O-N 3.03Å; Y38-Y41 PolarHBondContact O-N 3.01Å; P39-Y41 VanDerWaalsContact C-N 3.33Å; P39-Y41 PolarHBondContact O-N 3.32Å; Y41-Y44 HydrophobicContact CD1-CD1 4.4Å; Y41-Y44 HydrophobicContact CD2-CD1 4.47Å; Y41-Y44 HydrophobicContact CE1-CD1 4.05Å; Y41-Y44 HydrophobicContact CE1-CE1 4.4Å; Y41-Y44 HydrophobicContact CE2-CD1 4.12Å; Y41-Y44 HydrophobicContact CE2-CE1 4.4Å; Y41-Y44 AromaticContact CZ-CD1 3.89Å; Y41-Y44 AromaticContact CZ-CE1 3.98Å; Y41-Y44 WeakPolarHBondContact O-CB 3.07Å; Y41-Y44 PolarHBondContact O-N 3.47Å; Y41-M45 HydrophobicContact CD1-CG 3.76Å; Y41-M45 HydrophobicContact CD1-SD 3.57Å; Y41-M45 VanDerWaalsContact CD1-SD 3.57Å; Y41-M45 HydrophobicContact CE1-CG 3.7Å; Y41-M45 HydrophobicContact CE1-SD 3.67Å; Y41-M45 WeakPolarHBondContact O-CG 3.47Å; Y41-M45 PolarHBondContact O-N 2.94Å; Y41-D99 HydrophobicContact CE1-CB 4Å; Y41-D99 WeakPolarHBondContact CE1-OD1 3.33Å; Y41-D99 PolarHBondContact OH-OD1 2.98Å; Y41-D99 PolarHBondContact OH-OD2 3.05Å
42	M	98	Very high	97	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-45.6	169.7	-72	-54.8	-56	0	0	111.3	Y38 P39 Y44 M45 Y46 P56 P62 L66 A95	Y38-M42 HydrophobicContact CD1-CG 3.93Å; Y38-M42 HydrophobicContact CE1-CG 3.48Å; Y38-M42 VanDerWaalsContact CE1-CG 3.48Å; Y38-M42 HydrophobicContact CE1-SD 4.3Å; Y38-M42 HydrophobicContact CE2-CG 4.19Å; Y38-M42 HydrophobicContact CE2-SD 4.16Å; Y38-M42 HydrophobicContact CG-CG 4.42Å; Y38-M42 WeakPolarHBondContact O-CG 3.32Å; Y38-M42 PolarHBondContact O-N 3.38Å; P39-M42 PolarHBondContact O-N 2.96Å; M42-Y44 VanDerWaalsContact C-N 3.25Å; M42-Y44 PolarHBondContact O-N 3.26Å; M42-M45 PolarHBondContact O-N 2.89Å; M42-M45 VanDerWaalsContact O-N 3.14Å; M42-M45 HydrophobicContact SD-SD 4.27Å; M42-Y46 HydrophobicContact CE-CD2 4.08Å; M42-Y46 HydrophobicContact CE-CE2 3.67Å; M42-Y46 WeakPolarHBondContact O-CD2 3.34Å; M42-Y46 PolarHBondContact O-N 3.01Å; M42-P56 HydrophobicContact CB-CB 4.13Å; M42-P56 HydrophobicContact CB-CG 4.42Å; M42-P62 HydrophobicContact CE-CB 4.13Å; M42-L66 HydrophobicContact CE-CB 4.23Å; M42-L66 HydrophobicContact CE-CD2 3.93Å; M42-A95 HydrophobicContact SD-CB 4.43Å
43	C	97.8	Very high	96.8	Very high	29 Å²	29	57.6 Å²	57.6	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-57.2	-40.2	174.4	-57.8	0	0	0	0	112.2	P39 C40 R47 C53 P56	P39-C43 PolarHBondContact O-N 3.28Å; P39-C43 PolarHBondContact O-SG 2.66Å; C40-C43 WeakPolarHBondContact O-CB 3.36Å; C40-C43 PolarHBondContact O-N 3.33Å; C43-R47 WeakPolarHBondContact O-CB 3.2Å; C43-R47 PolarHBondContact O-N 3.38Å; C43-C53 HydrophobicContact CB-CB 4.41Å; C43-C53 VanDerWaalsContact CB-O 3.29Å; C43-C53 WeakPolarHBondContact CB-O 3.4Å; C43-C53 PolarHBondContact SG-O 2.9Å; C43-P56 HydrophobicContact CB-CG 4.34Å
44	Y	97.8	Very high	96.6	Very high	83 Å²	83	55.2 Å²	55.2	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-47	174.6	165.7	-106.6	0	0	0	112.1	C40 Y41 M42 R47 R48	C40-Y44 PolarHBondContact O-N 2.88Å; Y41-Y44 HydrophobicContact CD1-CD1 4.4Å; Y41-Y44 HydrophobicContact CD2-CD1 4.47Å; Y41-Y44 HydrophobicContact CE1-CD1 4.05Å; Y41-Y44 HydrophobicContact CE1-CE1 4.4Å; Y41-Y44 HydrophobicContact CE2-CD1 4.12Å; Y41-Y44 HydrophobicContact CE2-CE1 4.4Å; Y41-Y44 AromaticContact CZ-CD1 3.89Å; Y41-Y44 AromaticContact CZ-CE1 3.98Å; Y41-Y44 WeakPolarHBondContact O-CB 3.07Å; Y41-Y44 PolarHBondContact O-N 3.47Å; M42-Y44 VanDerWaalsContact C-N 3.25Å; M42-Y44 PolarHBondContact O-N 3.26Å; Y44-R47 PolarHBondContact O-N 3.39Å; Y44-R48 HydrophobicContact CE2-CG 4.28Å; Y44-R48 PolarHBondContact O-N 3.31Å; Y44-R48 VanDerWaalsContact O-N 3.09Å
45	M	98.1	Very high	96.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-38.4	-179.9	-66.7	174.2	73.2	0	0	112.7	Y41 M42 R48 L66 L98 D99 M102	Y41-M45 HydrophobicContact CD1-CG 3.76Å; Y41-M45 HydrophobicContact CD1-SD 3.57Å; Y41-M45 VanDerWaalsContact CD1-SD 3.57Å; Y41-M45 HydrophobicContact CE1-CG 3.7Å; Y41-M45 HydrophobicContact CE1-SD 3.67Å; Y41-M45 WeakPolarHBondContact O-CG 3.47Å; Y41-M45 PolarHBondContact O-N 2.94Å; M42-M45 PolarHBondContact O-N 2.89Å; M42-M45 VanDerWaalsContact O-N 3.14Å; M42-M45 HydrophobicContact SD-SD 4.27Å; M45-R48 WeakPolarHBondContact O-CB 3.48Å; M45-R48 PolarHBondContact O-N 3.23Å; M45-L66 HydrophobicContact CB-CD2 3.64Å; M45-L66 HydrophobicContact CE-CD2 4.28Å; M45-L98 HydrophobicContact CE-CB 3.81Å; M45-L98 HydrophobicContact CE-CD2 3.56Å; M45-L98 HydrophobicContact CE-CG 3.42Å; M45-L98 VanDerWaalsContact CE-CG 3.42Å; M45-D99 HydrophobicContact CE-CB 3.87Å; M45-D99 HydrophobicContact SD-CB 4.22Å; M45-M102 HydrophobicContact CB-CE 3.96Å; M45-M102 HydrophobicContact CB-SD 4.21Å; M45-M102 HydrophobicContact CE-SD 3.39Å; M45-M102 WeakPolarHBondContact CE-SD 3.34Å; M45-M102 HydrophobicContact CG-CE 4.4Å; M45-M102 HydrophobicContact CG-SD 4.34Å; M45-M102 VanDerWaalsContact O-CE 3.29Å; M45-M102 WeakPolarHBondContact O-CE 3.49Å
46	Y	97.9	Very high	96.4	Very high	8 Å²	8	52.6 Å²	52.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-42.6	171.9	-90.8	-91.3	0	0	0	111.4	M42 R48 Y49 E51 T55 P56 P62 L66	M42-Y46 HydrophobicContact CE-CD2 4.08Å; M42-Y46 HydrophobicContact CE-CE2 3.67Å; M42-Y46 WeakPolarHBondContact O-CD2 3.34Å; M42-Y46 PolarHBondContact O-N 3.01Å; Y46-R48 VanDerWaalsContact C-N 3.27Å; Y46-R48 PolarHBondContact O-N 3.38Å; Y46-Y49 CarbonylContact O-C 3.53Å; Y46-Y49 WeakPolarHBondContact O-CA 3.34Å; Y46-Y49 WeakPolarHBondContact O-CB 3.39Å; Y46-Y49 PolarHBondContact O-N 2.89Å; Y46-E51 HydrophobicContact CD1-CB 3.91Å; Y46-E51 HydrophobicContact CD1-CG 4.28Å; Y46-E51 WeakPolarHBondContact O-CB 3.41Å; Y46-E51 PolarHBondContact O-N 2.92Å; Y46-E51 VanDerWaalsContact O-N 3.15Å; Y46-T55 HydrophobicContact CD1-CG2 3.68Å; Y46-T55 HydrophobicContact CE1-CG2 3.45Å; Y46-T55 VanDerWaalsContact CE1-CG2 3.45Å; Y46-P56 HydrophobicContact CD2-CB 3.95Å; Y46-P56 HydrophobicContact CD2-CG 3.95Å; Y46-P56 HydrophobicContact CE2-CB 3.9Å; Y46-P56 HydrophobicContact CE2-CG 4.4Å; Y46-P56 HydrophobicContact CG-CG 4.41Å; Y46-P62 HydrophobicContact CE2-CB 3.95Å; Y46-P62 PolarHBondContact OH-O 2.91Å; Y46-L66 HydrophobicContact CD1-CD1 4.14Å; Y46-L66 HydrophobicContact CD2-CD1 4.32Å; Y46-L66 HydrophobicContact CD2-CD2 3.9Å; Y46-L66 HydrophobicContact CE1-CD1 4.05Å; Y46-L66 HydrophobicContact CE2-CB 3.87Å; Y46-L66 HydrophobicContact CE2-CD1 4.23Å; Y46-L66 HydrophobicContact CE2-CD2 3.99Å; Y46-L66 HydrophobicContact CE2-CG 4.26Å; Y46-L66 HydrophobicContact CG-CD1 4.29Å; Y46-L66 HydrophobicContact CG-CD2 4.48Å
47	R	96.7	Very high	96.2	Very high	143 Å²	143	52.4 Å²	52.4	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-32.4	176.7	-172.1	178.7	69	-141.9	4.8	113	C43 Y44 Y49 D50	C43-R47 WeakPolarHBondContact O-CB 3.2Å; C43-R47 PolarHBondContact O-N 3.38Å; Y44-R47 PolarHBondContact O-N 3.39Å; R47-Y49 PolarHBondContact O-N 2.06Å; R47-D50 WeakPolarHBondContact O-CA 3.24Å; R47-D50 PolarHBondContact O-N 3.14Å
48	R	96.8	Very high	96.1	Very high	28 Å²	28	58.6 Å²	58.6	11%	0.106	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-22.4	173.3	-70.7	173.4	68.5	-174.9	4	112.9	Y44 M45 Y46 D50 D99 M102 K103 E106 L112	Y44-R48 HydrophobicContact CE2-CG 4.28Å; Y44-R48 PolarHBondContact O-N 3.31Å; Y44-R48 VanDerWaalsContact O-N 3.09Å; M45-R48 WeakPolarHBondContact O-CB 3.48Å; M45-R48 PolarHBondContact O-N 3.23Å; Y46-R48 VanDerWaalsContact C-N 3.27Å; Y46-R48 PolarHBondContact O-N 3.38Å; R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D99 IonicContact NH1-OD1 3.54Å; R48-D99 PolarHBondContact NH1-OD1 2.95Å; R48-M102 HydrophobicContact CB-CE 3.67Å; R48-M102 HydrophobicContact CG-CE 4.35Å; R48-M102 VanDerWaalsContact NH2-C 3.32Å; R48-K103 VanDerWaalsContact NH2-N 3.19Å; R48-E106 IonicContact CZ-OE1 2.73Å; R48-E106 IonicContact CZ-OE2 3.5Å; R48-E106 IonicContact NE-OE1 2.66Å; R48-E106 PolarHBondContact NE-OE1 3.26Å; R48-E106 IonicContact NE-OE2 3.69Å; R48-E106 IonicContact NH2-OE1 4Å; R48-E106 PolarHBondContact NH2-OE1 3.29Å; R48-E106 IonicContact NH2-OE2 3.8Å; R48-E106 PolarHBondContact NH2-OE2 3.26Å; R48-L112 HydrophobicContact CB-CD2 3.9Å
49	Y	96.9	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	12.7	171.7	-92.4	-64.7	0	0	0	113.6	Y46 R47 E51 L66 Y69 H70 K73 H74 M102 L112 N113	Y46-Y49 CarbonylContact O-C 3.53Å; Y46-Y49 WeakPolarHBondContact O-CA 3.34Å; Y46-Y49 WeakPolarHBondContact O-CB 3.39Å; Y46-Y49 PolarHBondContact O-N 2.89Å; R47-Y49 PolarHBondContact O-N 2.06Å; Y49-E51 PolarHBondContact O-N 2.82Å; Y49-E51 VanDerWaalsContact O-N 3.1Å; Y49-L66 HydrophobicContact CD2-CD1 3.68Å; Y49-L66 HydrophobicContact CE2-CD1 4.13Å; Y49-Y69 HydrophobicContact CD1-CD1 4.27Å; Y49-Y69 AromaticContact CD1-CE1 3.54Å; Y49-Y69 HydrophobicContact CD1-CE1 3.54Å; Y49-Y69 HydrophobicContact CE1-CD1 4.17Å; Y49-Y69 AromaticContact CE1-CE1 3.64Å; Y49-Y69 HydrophobicContact CE1-CE1 3.64Å; Y49-Y69 HydrophobicContact CE2-CD1 4.43Å; Y49-Y69 HydrophobicContact CG-CD1 4.45Å; Y49-Y69 HydrophobicContact CG-CE1 4.02Å; Y49-H70 HydrophobicContact CE2-CB 4.19Å; Y49-H70 AromaticContact CE2-ND1 3.93Å; Y49-H70 AromaticContact CZ-ND1 3.68Å; Y49-H70 WeakPolarHBondContact OH-CA 3.38Å; Y49-H70 WeakPolarHBondContact OH-CB 3.39Å; Y49-H70 VanDerWaalsContact OH-CG 3.27Å; Y49-H70 PolarHBondContact OH-ND1 3.45Å; Y49-K73 HydrophobicContact CE1-CD 4.08Å; Y49-H74 AromaticContact CZ-NE2 3.96Å; Y49-H74 PolarHBondContact OH-CD2 3.25Å; Y49-H74 PolarHBondContact OH-NE2 2.87Å; Y49-M102 HydrophobicContact CD2-CE 3.94Å; Y49-M102 HydrophobicContact CE2-CE 4Å; Y49-M102 HydrophobicContact CE2-CG 4.23Å; Y49-M102 HydrophobicContact CE2-SD 4.24Å; Y49-L112 HydrophobicContact CD1-CD2 4.19Å; Y49-L112 HydrophobicContact CD1-CG 4.11Å; Y49-L112 HydrophobicContact CD2-CD2 3.81Å; Y49-L112 HydrophobicContact CD2-CG 4.48Å; Y49-L112 HydrophobicContact CE1-CD1 4.32Å; Y49-L112 HydrophobicContact CE1-CD2 4.05Å; Y49-L112 HydrophobicContact CE1-CG 3.66Å; Y49-L112 HydrophobicContact CE2-CD2 3.69Å; Y49-L112 HydrophobicContact CE2-CG 4.11Å; Y49-L112 HydrophobicContact CG-CD2 4.09Å; Y49-N113 HydrophobicContact CD1-CB 4.16Å; Y49-N113 PolarHBondContact O-ND2 3.21Å
50	D	95.8	Very high	95.6	Very high	131 Å²	131	63 Å²	63	70%	0.701	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	16.9	-172.3	-51	-57.8	0	0	0	113.9	R47 R48 N113	R47-D50 WeakPolarHBondContact O-CA 3.24Å; R47-D50 PolarHBondContact O-N 3.14Å; R48-D50 VanDerWaalsContact C-N 3.28Å; D50-N113 WeakPolarHBondContact OD2-CB 3.48Å; D50-N113 PolarHBondContact OD2-ND2 3.02Å; D50-N113 VanDerWaalsContact OD2-ND2 3.09Å
51	E	95.9	Very high	95.5	Very high	85 Å²	85	61.6 Å²	61.6	40%	0.397	32%	0.324	S	S	.	.			trans	-82.4	156.3	175	-65.8	-67.5	171.4	0	0	110.7	Y46 Y49 C53	Y46-E51 HydrophobicContact CD1-CB 3.91Å; Y46-E51 HydrophobicContact CD1-CG 4.28Å; Y46-E51 WeakPolarHBondContact O-CB 3.41Å; Y46-E51 PolarHBondContact O-N 2.92Å; Y46-E51 VanDerWaalsContact O-N 3.15Å; Y49-E51 PolarHBondContact O-N 2.82Å; Y49-E51 VanDerWaalsContact O-N 3.1Å; E51-C53 PolarHBondContact O-N 3.38Å
52	C	94.6	Very high	95.4	Very high	77 Å²	77	61.9 Å²	61.9	52%	0.52	33%	0.328	S	S	.	.			trans	-56.4	133.2	175.1	179.9	0	0	0	0	110.8	A54 T55	C52-A54 PolarHBondContact O-N 2.84Å; C52-A54 VanDerWaalsContact O-N 3.09Å; C52-A54 PolarHBondContact SG-N 3.41Å; C52-T55 WeakPolarHBondContact CB-OG1 3.47Å; C52-T55 WeakPolarHBondContact O-CB 3.26Å; C52-T55 PolarHBondContact O-N 3.08Å; C52-T55 PolarHBondContact O-OG1 2.94Å
53	C	93	Very high	95.4	Very high	69 Å²	69	61.8 Å²	61.8	47%	0.466	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-20	179.8	66.5	0	0	0	0	113.1	C43 E51 P56	C43-C53 HydrophobicContact CB-CB 4.41Å; C43-C53 VanDerWaalsContact CB-O 3.29Å; C43-C53 WeakPolarHBondContact CB-O 3.4Å; C43-C53 PolarHBondContact SG-O 2.9Å; E51-C53 PolarHBondContact O-N 3.38Å; C53-P56 WeakPolarHBondContact O-CD 3.16Å
54	A	94.2	Very high	95.4	Very high	32 Å²	32	62.7 Å²	62.7	26%	0.264	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.3	176.6	0	0	0	0	0	113.4	C52 P56 C57 F58	C52-A54 PolarHBondContact O-N 2.84Å; C52-A54 VanDerWaalsContact O-N 3.09Å; C52-A54 PolarHBondContact SG-N 3.41Å; A54-P56 VanDerWaalsContact C-CD 3.46Å; A54-P56 VanDerWaalsContact C-N 3.33Å; A54-C57 VanDerWaalsContact O-CB 3.26Å; A54-C57 WeakPolarHBondContact O-CB 3.22Å; A54-C57 PolarHBondContact O-N 2.92Å; A54-F58 HydrophobicContact CB-CD2 4.47Å; A54-F58 HydrophobicContact CB-CE2 3.71Å; A54-F58 HydrophobicContact CB-CZ 4.49Å; A54-F58 WeakPolarHBondContact O-CD2 3.33Å; A54-F58 WeakPolarHBondContact O-CE2 3.5Å
55	T	95.4	Very high	95.4	Very high	32 Å²	32	61.2 Å²	61.2	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-47	-47.3	176.3	-61.5	0	0	0	0	113.4	Y46 C52 C57 F58 I59	Y46-T55 HydrophobicContact CD1-CG2 3.68Å; Y46-T55 HydrophobicContact CE1-CG2 3.45Å; Y46-T55 VanDerWaalsContact CE1-CG2 3.45Å; C52-T55 WeakPolarHBondContact CB-OG1 3.47Å; C52-T55 WeakPolarHBondContact O-CB 3.26Å; C52-T55 PolarHBondContact O-N 3.08Å; C52-T55 PolarHBondContact O-OG1 2.94Å; T55-C57 PolarHBondContact O-N 3.34Å; T55-C57 VanDerWaalsContact O-N 3.17Å; T55-F58 PolarHBondContact O-N 2.87Å; T55-I59 HydrophobicContact CG2-CD1 3.55Å; T55-I59 HydrophobicContact CG2-CG1 4.47Å; T55-I59 WeakPolarHBondContact O-CG1 3.15Å
56	P	94.3	Very high	95.4	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-17.8	178.6	25.1	-35.7	0	0	0	114.7	M42 C43 Y46 C53 A54 F58 P62	M42-P56 HydrophobicContact CB-CB 4.13Å; M42-P56 HydrophobicContact CB-CG 4.42Å; C43-P56 HydrophobicContact CB-CG 4.34Å; Y46-P56 HydrophobicContact CD2-CB 3.95Å; Y46-P56 HydrophobicContact CD2-CG 3.95Å; Y46-P56 HydrophobicContact CE2-CB 3.9Å; Y46-P56 HydrophobicContact CE2-CG 4.4Å; Y46-P56 HydrophobicContact CG-CG 4.41Å; C53-P56 WeakPolarHBondContact O-CD 3.16Å; A54-P56 VanDerWaalsContact C-CD 3.46Å; A54-P56 VanDerWaalsContact C-N 3.33Å; P56-F58 VanDerWaalsContact C-N 3.33Å; P56-P62 HydrophobicContact CB-CB 3.53Å; P56-P62 HydrophobicContact CB-CG 4.13Å
57	C	93.7	Very high	95.4	Very high	96 Å²	96	61 Å²	61	65%	0.649	33%	0.327	S	S	*	.	H	α-helix	trans	-76.4	-20.6	177.3	-58	0	0	0	0	113.2	A54 T55	A54-C57 VanDerWaalsContact O-CB 3.26Å; A54-C57 WeakPolarHBondContact O-CB 3.22Å; A54-C57 PolarHBondContact O-N 2.92Å; T55-C57 PolarHBondContact O-N 3.34Å; T55-C57 VanDerWaalsContact O-N 3.17Å
58	F	93.4	Very high	95.5	Very high	171 Å²	171	54.9 Å²	54.9	75%	0.75	31%	0.308	S	S	*	.	H	α-helix	trans	-104.8	-3.5	-176.3	-55.4	-66.9	0	0	0	113.4	A54 T55 P56	A54-F58 HydrophobicContact CB-CD2 4.47Å; A54-F58 HydrophobicContact CB-CE2 3.71Å; A54-F58 HydrophobicContact CB-CZ 4.49Å; A54-F58 WeakPolarHBondContact O-CD2 3.33Å; A54-F58 WeakPolarHBondContact O-CE2 3.5Å; T55-F58 PolarHBondContact O-N 2.87Å; P56-F58 VanDerWaalsContact C-N 3.33Å
59	I	93.5	Very high	95.5	Very high	56 Å²	56	57.8 Å²	57.8	29%	0.287	32%	0.319	S	S	.	.	S	Bend	trans	-106.9	134.9	-176.5	-64.3	176.9	0	0	0	109.9	T55 C61 T65	T55-I59 HydrophobicContact CG2-CD1 3.55Å; T55-I59 HydrophobicContact CG2-CG1 4.47Å; T55-I59 WeakPolarHBondContact O-CG1 3.15Å; I59-C61 VanDerWaalsContact C-N 3.28Å; I59-C61 PolarHBondContact O-N 3.29Å; I59-T65 HydrophobicContact CD1-CG2 4.3Å
60	I	89.3	Confident	95.5	Very high	171 Å²	171	57.8 Å²	57.8	88%	0.877	32%	0.319	S	S	*	.	S	Bend	trans	-65.7	-27.7	-176.2	-61.2	177.2	0	0	0	112.4
61	C	94.4	Very high	95.6	Very high	49 Å²	49	53.2 Å²	53.2	33%	0.331	29%	0.292	S	S	.	.			trans	-142.5	75.9	177.4	-61.8	0	0	0	0	111.7	I59 G63 F64 T65	I59-C61 VanDerWaalsContact C-N 3.28Å; I59-C61 PolarHBondContact O-N 3.29Å; C61-G63 PolarHBondContact O-N 3.38Å; C61-F64 HydrophobicContact CB-CB 3.93Å; C61-F64 HydrophobicContact CB-CD1 4.47Å; C61-F64 PolarHBondContact O-N 2.88Å; C61-T65 PolarHBondContact O-N 3.36Å; C61-T65 PolarHBondContact O-OG1 2.82Å
62	P	96.5	Very high	95.6	Very high	24 Å²	24	52.1 Å²	52.1	16%	0.156	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-37.5	-171.6	26	-34.6	0	0	0	113.3	M42 Y46 P56 T65 L66	M42-P62 HydrophobicContact CE-CB 4.13Å; Y46-P62 HydrophobicContact CE2-CB 3.95Å; Y46-P62 PolarHBondContact OH-O 2.91Å; P56-P62 HydrophobicContact CB-CB 3.53Å; P56-P62 HydrophobicContact CB-CG 4.13Å; P62-T65 PolarHBondContact O-N 2.91Å; P62-L66 WeakPolarHBondContact O-CB 3.45Å; P62-L66 PolarHBondContact O-N 3.47Å
63	G	97.6	Very high	95.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-43.5	177.6	0	0	0	0	0	112.9	C61 R67 E87	C61-G63 PolarHBondContact O-N 3.38Å; G63-R67 WeakPolarHBondContact O-CB 3.37Å; G63-R67 PolarHBondContact O-N 3.39Å; G63-E87 WeakPolarHBondContact CA-OE1 3.37Å
64	F	97.8	Very high	95.8	Very high	47 Å²	47	49.2 Å²	49.2	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-48.1	173.3	168.6	-109.7	0	0	0	111.9	C61 R67 A68 L80 D83 E87	C61-F64 HydrophobicContact CB-CB 3.93Å; C61-F64 HydrophobicContact CB-CD1 4.47Å; C61-F64 PolarHBondContact O-N 2.88Å; F64-R67 PolarHBondContact O-N 2.99Å; F64-A68 WeakPolarHBondContact O-CB 3.09Å; F64-A68 PolarHBondContact O-N 2.95Å; F64-L80 WeakPolarHBondContact CE2-O 3.44Å; F64-L80 HydrophobicContact CZ-CB 4.43Å; F64-L80 HydrophobicContact CZ-CD2 4.35Å; F64-D83 HydrophobicContact CD2-CB 4.09Å; F64-D83 HydrophobicContact CE2-CB 3.98Å; F64-E87 HydrophobicContact CB-CB 4.25Å; F64-E87 HydrophobicContact CB-CG 4Å
65	T	97.6	Very high	95.9	Very high	53 Å²	53	51 Å²	51	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-48.1	-179.7	-61.9	0	0	0	0	111.2	I59 C61 P62 A68 Y69	I59-T65 HydrophobicContact CD1-CG2 4.3Å; C61-T65 PolarHBondContact O-N 3.36Å; C61-T65 PolarHBondContact O-OG1 2.82Å; P62-T65 PolarHBondContact O-N 2.91Å; T65-A68 PolarHBondContact O-N 3.27Å; T65-Y69 WeakPolarHBondContact O-CB 3.46Å; T65-Y69 PolarHBondContact O-N 2.9Å
66	L	98	Very high	96	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-40.8	179.7	-166.6	63.6	0	0	0	112	M42 M45 Y46 Y49 P62 Y69 H70 L98	M42-L66 HydrophobicContact CE-CB 4.23Å; M42-L66 HydrophobicContact CE-CD2 3.93Å; M45-L66 HydrophobicContact CB-CD2 3.64Å; M45-L66 HydrophobicContact CE-CD2 4.28Å; Y46-L66 HydrophobicContact CD1-CD1 4.14Å; Y46-L66 HydrophobicContact CD2-CD1 4.32Å; Y46-L66 HydrophobicContact CD2-CD2 3.9Å; Y46-L66 HydrophobicContact CE1-CD1 4.05Å; Y46-L66 HydrophobicContact CE2-CB 3.87Å; Y46-L66 HydrophobicContact CE2-CD1 4.23Å; Y46-L66 HydrophobicContact CE2-CD2 3.99Å; Y46-L66 HydrophobicContact CE2-CG 4.26Å; Y46-L66 HydrophobicContact CG-CD1 4.29Å; Y46-L66 HydrophobicContact CG-CD2 4.48Å; Y49-L66 HydrophobicContact CD2-CD1 3.68Å; Y49-L66 HydrophobicContact CE2-CD1 4.13Å; P62-L66 WeakPolarHBondContact O-CB 3.45Å; P62-L66 PolarHBondContact O-N 3.47Å; L66-Y69 PolarHBondContact O-N 3.45Å; L66-H70 VanDerWaalsContact O-CB 3.26Å; L66-H70 WeakPolarHBondContact O-CB 3.38Å; L66-H70 PolarHBondContact O-N 3.27Å; L66-L98 HydrophobicContact CB-CD2 4.1Å; L66-L98 HydrophobicContact CD2-CD2 3.96Å; L66-L98 HydrophobicContact CG-CD2 3.93Å
67	R	98.4	Very high	96.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-47.4	175	172.9	175.7	-80.5	-90.9	0.3	111.8	W17 G63 F64 R71 D83 A94 L98	W17-R67 HydrophobicContact CH2-CG 3.96Å; W17-R67 HydrophobicContact CZ2-CG 3.97Å; W17-R67 VanDerWaalsContact CZ2-NH1 3.33Å; G63-R67 WeakPolarHBondContact O-CB 3.37Å; G63-R67 PolarHBondContact O-N 3.39Å; F64-R67 PolarHBondContact O-N 2.99Å; R67-R71 VanDerWaalsContact O-CB 3.22Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.23Å; R67-D83 HydrophobicContact CG-CB 4.12Å; R67-A94 PolarHBondContact NH2-O 2.87Å; R67-L98 HydrophobicContact CB-CD2 4.23Å
68	A	97.8	Very high	96.2	Very high	16 Å²	16	50 Å²	50	13%	0.132	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.9	0	0	0	0	0	111.5	F64 T65 R71 A72 L80	F64-A68 WeakPolarHBondContact O-CB 3.09Å; F64-A68 PolarHBondContact O-N 2.95Å; T65-A68 PolarHBondContact O-N 3.27Å; A68-R71 PolarHBondContact O-N 2.74Å; A68-A72 WeakPolarHBondContact O-CB 3.32Å; A68-A72 PolarHBondContact O-N 2.86Å; A68-L80 HydrophobicContact CB-CD2 3.69Å
69	Y	97.2	Very high	96.4	Very high	88 Å²	88	45.1 Å²	45.1	35%	0.345	25%	0.25	S	S	.	.	H	α-helix	trans	-60.7	-52.9	175.9	177.9	-99.7	0	0	0	111.7	Y49 T65 L66 R71 A72 K73 N113	Y49-Y69 HydrophobicContact CD1-CD1 4.27Å; Y49-Y69 AromaticContact CD1-CE1 3.54Å; Y49-Y69 HydrophobicContact CD1-CE1 3.54Å; Y49-Y69 HydrophobicContact CE1-CD1 4.17Å; Y49-Y69 AromaticContact CE1-CE1 3.64Å; Y49-Y69 HydrophobicContact CE1-CE1 3.64Å; Y49-Y69 HydrophobicContact CE2-CD1 4.43Å; Y49-Y69 HydrophobicContact CG-CD1 4.45Å; Y49-Y69 HydrophobicContact CG-CE1 4.02Å; T65-Y69 WeakPolarHBondContact O-CB 3.46Å; T65-Y69 PolarHBondContact O-N 2.9Å; L66-Y69 PolarHBondContact O-N 3.45Å; Y69-R71 PolarHBondContact O-N 2.73Å; Y69-A72 PolarHBondContact O-N 3.24Å; Y69-K73 HydrophobicContact CE1-CD 4.04Å; Y69-K73 WeakPolarHBondContact O-CB 3.37Å; Y69-K73 PolarHBondContact O-N 2.66Å; Y69-N113 PolarHBondContact OH-OD1 2.85Å
70	H	98.2	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-45.9	176.6	176.7	94.2	0	0	0	112	W17 Y49 L66 A72 K73 H74 I76 L98 D101	W17-H70 AromaticContact CH2-CD2 3.75Å; W17-H70 AromaticContact CZ3-CD2 3.6Å; W17-H70 AromaticContact CZ3-NE2 3.93Å; Y49-H70 HydrophobicContact CE2-CB 4.19Å; Y49-H70 AromaticContact CE2-ND1 3.93Å; Y49-H70 AromaticContact CZ-ND1 3.68Å; Y49-H70 WeakPolarHBondContact OH-CA 3.38Å; Y49-H70 WeakPolarHBondContact OH-CB 3.39Å; Y49-H70 VanDerWaalsContact OH-CG 3.27Å; Y49-H70 PolarHBondContact OH-ND1 3.45Å; L66-H70 VanDerWaalsContact O-CB 3.26Å; L66-H70 WeakPolarHBondContact O-CB 3.38Å; L66-H70 PolarHBondContact O-N 3.27Å; H70-A72 PolarHBondContact O-N 3.26Å; H70-K73 PolarHBondContact O-N 2.71Å; H70-H74 AromaticContact CE1-CD2 3.51Å; H70-H74 AromaticContact CG-CD2 3.95Å; H70-H74 AromaticContact ND1-CD2 3.53Å; H70-H74 AromaticContact ND1-NE2 4Å; H70-H74 AromaticContact NE2-CD2 3.95Å; H70-H74 PolarHBondContact O-CD2 3.31Å; H70-H74 VanDerWaalsContact O-CD2 3.29Å; H70-H74 PolarHBondContact O-N 3.28Å; H70-I76 WeakPolarHBondContact NE2-CD1 3.28Å; H70-L98 HydrophobicContact CB-CD1 3.59Å; H70-L98 VanDerWaalsContact CG-CD1 3.42Å; H70-D101 IonicContact CE1-OD2 3.66Å; H70-D101 IonicContact NE2-OD2 2.66Å; H70-D101 PolarHBondContact NE2-OD2 2.88Å
71	R	97.3	Very high	97	Very high	35 Å²	35	42.9 Å²	42.9	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-46	179.4	-170.4	-173.4	58.4	70.7	3.4	111.8	W17 R67 A68 Y69 N75 I76 D83	W17-R71 HydrophobicContact CZ2-CB 4.27Å; W17-R71 HydrophobicContact CZ2-CG 4.42Å; R67-R71 VanDerWaalsContact O-CB 3.22Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.23Å; A68-R71 PolarHBondContact O-N 2.74Å; Y69-R71 PolarHBondContact O-N 2.73Å; R71-N75 PolarHBondContact O-N 2.96Å; R71-I76 HydrophobicContact CB-CB 4.36Å; R71-I76 HydrophobicContact CG-CB 3.64Å; R71-I76 HydrophobicContact CG-CG2 4.04Å; R71-I76 WeakPolarHBondContact CG-O 3.26Å; R71-I76 PolarHBondContact O-N 2.69Å; R71-D83 WeakPolarHBondContact CD-OD2 3.16Å; R71-D83 IonicContact CZ-OD2 3.34Å; R71-D83 IonicContact NE-OD1 3.38Å; R71-D83 IonicContact NE-OD2 2.66Å; R71-D83 PolarHBondContact NE-OD2 2.92Å; R71-D83 IonicContact NH2-OD2 2.71Å
72	A	96	Very high	97.1	Very high	63 Å²	63	46.7 Å²	46.7	52%	0.521	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-43.4	178.4	0	0	0	0	0	111.4	A68 Y69 H70	A68-A72 WeakPolarHBondContact O-CB 3.32Å; A68-A72 PolarHBondContact O-N 2.86Å; Y69-A72 PolarHBondContact O-N 3.24Å; H70-A72 PolarHBondContact O-N 3.26Å
73	K	95.8	Very high	97.2	Very high	59 Å²	59	45.6 Å²	45.6	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-67.3	-38	-177.3	-171.5	159.9	177.6	137.5	0	113.4	Y49 Y69 H70 N113 V114	Y49-K73 HydrophobicContact CE1-CD 4.08Å; Y69-K73 HydrophobicContact CE1-CD 4.04Å; Y69-K73 WeakPolarHBondContact O-CB 3.37Å; Y69-K73 PolarHBondContact O-N 2.66Å; H70-K73 PolarHBondContact O-N 2.71Å; K73-N113 PolarHBondContact NZ-OD1 2.77Å; K73-V114 WeakPolarHBondContact CE-O 3.13Å; K73-V114 PolarHBondContact NZ-O 3.03Å
74	H	96.4	Very high	97.2	Very high	26 Å²	26	51.1 Å²	51.1	12%	0.12	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	20	-176.4	-57.7	-61.1	0	0	0	114.3	R15 Y49 H70 I76 V105 L112	R15-H74 PolarHBondContact NE-O 2.98Å; Y49-H74 AromaticContact CZ-NE2 3.96Å; Y49-H74 PolarHBondContact OH-CD2 3.25Å; Y49-H74 PolarHBondContact OH-NE2 2.87Å; H70-H74 AromaticContact CE1-CD2 3.51Å; H70-H74 AromaticContact CG-CD2 3.95Å; H70-H74 AromaticContact ND1-CD2 3.53Å; H70-H74 AromaticContact ND1-NE2 4Å; H70-H74 AromaticContact NE2-CD2 3.95Å; H70-H74 PolarHBondContact O-CD2 3.31Å; H70-H74 VanDerWaalsContact O-CD2 3.29Å; H70-H74 PolarHBondContact O-N 3.28Å; H74-I76 VanDerWaalsContact C-N 3.25Å; H74-I76 HydrophobicContact CB-CD1 4.42Å; H74-I76 HydrophobicContact CB-CG1 4.25Å; H74-I76 PolarHBondContact O-N 2.89Å; H74-V105 HydrophobicContact CB-CG2 4.44Å; H74-L112 PolarHBondContact CE1-O 3.3Å; H74-L112 PolarHBondContact NE2-O 2.85Å
75	N	95	Very high	97.2	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	41.6	177.2	-62.6	-70.8	0	0	0	113.3	V12 Q14 R15 R71	V12-N75 HydrophobicContact CG1-CB 4.24Å; Q14-N75 CarbonylContact C-O 3.58Å; Q14-N75 WeakPolarHBondContact CA-O 3.44Å; Q14-N75 WeakPolarHBondContact CB-O 3.47Å; R15-N75 PolarHBondContact N-O 3.5Å; R71-N75 PolarHBondContact O-N 2.96Å
76	I	97.7	Very high	97.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-83.4	132.1	178.9	-57.6	171.5	0	0	0	109.5	R15 W17 H70 R71 H74	R15-I76 HydrophobicContact CG-CG1 4.11Å; R15-I76 CarbonylContact O-C 3.48Å; R15-I76 VanDerWaalsContact O-CA 3.26Å; R15-I76 WeakPolarHBondContact O-CA 3.45Å; W17-I76 HydrophobicContact CD2-CD1 4.22Å; W17-I76 HydrophobicContact CD2-CG2 3.99Å; W17-I76 HydrophobicContact CE3-CD1 4Å; W17-I76 HydrophobicContact CG-CG2 3.94Å; W17-I76 HydrophobicContact CH2-CD1 4.2Å; W17-I76 HydrophobicContact CZ2-CD1 4.41Å; W17-I76 HydrophobicContact CZ2-CG2 4.34Å; W17-I76 HydrophobicContact CZ3-CD1 3.99Å; H70-I76 WeakPolarHBondContact NE2-CD1 3.28Å; R71-I76 HydrophobicContact CB-CB 4.36Å; R71-I76 HydrophobicContact CG-CB 3.64Å; R71-I76 HydrophobicContact CG-CG2 4.04Å; R71-I76 WeakPolarHBondContact CG-O 3.26Å; R71-I76 PolarHBondContact O-N 2.69Å; H74-I76 VanDerWaalsContact C-N 3.25Å; H74-I76 HydrophobicContact CB-CD1 4.42Å; H74-I76 HydrophobicContact CB-CG1 4.25Å; H74-I76 PolarHBondContact O-N 2.89Å
77	Q	96.6	Very high	97.1	Very high	85 Å²	85	53.4 Å²	53.4	40%	0.397	28%	0.28	S	S	.	.			trans	-67.5	145.5	179.5	68.7	178	9.1	0	0	111.9	Q14 R15 D16	Q14-Q77 HydrophobicContact CB-CB 4.12Å; R15-Q77 PolarHBondContact O-N 3.09Å; D16-Q77 WeakPolarHBondContact OD1-CG 3.42Å; D16-Q77 PolarHBondContact OD1-NE2 3.47Å; D16-Q77 PolarHBondContact OD2-NE2 3.15Å
78	G	95.8	Very high	97	Very high	35 Å²	35	61 Å²	61	36%	0.361	31%	0.309	S	S	.	.			trans	146.1	-176.7	-177.7	0	0	0	0	0	112.8
79	T	97.2	Very high	97	Very high	68 Å²	68	67.7 Å²	67.7	42%	0.417	34%	0.336	S	S	.	.			trans	-133.7	154.5	179.1	67.4	0	0	0	0	109.7	C81 K82 D83	T79-C81 PolarHBondContact O-N 2.84Å; T79-K82 PolarHBondContact O-N 3.08Å; T79-K82 WeakPolarHBondContact OG1-CG 3.4Å; T79-K82 PolarHBondContact OG1-N 3.37Å; T79-D83 PolarHBondContact O-N 3Å
80	L	97.8	Very high	97	Very high	97 Å²	97	64.9 Å²	64.9	51%	0.508	33%	0.329	S	S	.	.	H	α-helix	trans	-57.5	-36.7	176.1	-64.9	175.8	0	0	0	112.1	F64 A68 D83 Y84	F64-L80 WeakPolarHBondContact CE2-O 3.44Å; F64-L80 HydrophobicContact CZ-CB 4.43Å; F64-L80 HydrophobicContact CZ-CD2 4.35Å; A68-L80 HydrophobicContact CB-CD2 3.69Å; L80-D83 PolarHBondContact O-N 3.42Å; L80-Y84 WeakPolarHBondContact O-CB 3.5Å; L80-Y84 PolarHBondContact O-N 2.99Å
81	C	98	Very high	96.9	Very high	84 Å²	84	67.3 Å²	67.3	57%	0.568	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-45.6	175	-179.2	0	0	0	0	111.6	T79 D83 Y84 L85	T79-C81 PolarHBondContact O-N 2.84Å; C81-D83 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 2.85Å; C81-Y84 PolarHBondContact O-N 3.13Å; C81-L85 VanDerWaalsContact O-CG 3.29Å; C81-L85 WeakPolarHBondContact O-CG 3.38Å; C81-L85 PolarHBondContact O-N 3.29Å
82	K	97.5	Very high	96.9	Very high	129 Å²	129	68.6 Å²	68.6	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-64.7	-37.7	176.2	-74.1	-178.2	177.1	-178.6	0	112.2	T79 L85 K86	T79-K82 PolarHBondContact O-N 3.08Å; T79-K82 WeakPolarHBondContact OG1-CG 3.4Å; T79-K82 PolarHBondContact OG1-N 3.37Å; K82-L85 PolarHBondContact O-N 3.37Å; K82-K86 VanDerWaalsContact O-CG 3.28Å; K82-K86 WeakPolarHBondContact O-CG 3.47Å; K82-K86 PolarHBondContact O-N 2.76Å
83	D	98	Very high	97	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-44.5	176.1	-65.7	-31.6	0	0	0	111.2	F64 R67 R71 T79 L80 C81 K86 E87	F64-D83 HydrophobicContact CD2-CB 4.09Å; F64-D83 HydrophobicContact CE2-CB 3.98Å; R67-D83 HydrophobicContact CG-CB 4.12Å; R71-D83 WeakPolarHBondContact CD-OD2 3.16Å; R71-D83 IonicContact CZ-OD2 3.34Å; R71-D83 IonicContact NE-OD1 3.38Å; R71-D83 IonicContact NE-OD2 2.66Å; R71-D83 PolarHBondContact NE-OD2 2.92Å; R71-D83 IonicContact NH2-OD2 2.71Å; T79-D83 PolarHBondContact O-N 3Å; L80-D83 PolarHBondContact O-N 3.42Å; C81-D83 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 2.85Å; D83-K86 PolarHBondContact O-N 2.99Å; D83-E87 PolarHBondContact O-N 2.9Å
84	Y	97.5	Very high	97.1	Very high	116 Å²	116	63.6 Å²	63.6	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-45.5	175.6	179.1	-96.5	0	0	0	111.9	L80 C81 K86 E87 Y88	L80-Y84 WeakPolarHBondContact O-CB 3.5Å; L80-Y84 PolarHBondContact O-N 2.99Å; C81-Y84 PolarHBondContact O-N 3.13Å; Y84-K86 PolarHBondContact O-N 3.41Å; Y84-E87 PolarHBondContact O-N 2.84Å; Y84-Y88 VanDerWaalsContact O-CB 3.29Å; Y84-Y88 WeakPolarHBondContact O-CB 3.42Å; Y84-Y88 PolarHBondContact O-N 3.24Å
85	L	98	Very high	97.2	Very high	73 Å²	73	62.5 Å²	62.5	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-41.1	178.5	-68.4	173.9	0	0	0	111.9	C81 K82 Y88 F89	C81-L85 VanDerWaalsContact O-CG 3.29Å; C81-L85 WeakPolarHBondContact O-CG 3.38Å; C81-L85 PolarHBondContact O-N 3.29Å; K82-L85 PolarHBondContact O-N 3.37Å; L85-Y88 PolarHBondContact O-N 3.29Å; L85-F89 HydrophobicContact CB-CD2 4.21Å; L85-F89 HydrophobicContact CB-CE2 4.25Å; L85-F89 HydrophobicContact CD2-CE2 3.95Å; L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 3.04Å
86	K	97.2	Very high	97.4	Very high	55 Å²	55	59.5 Å²	59.5	24%	0.239	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-45.6	175.2	-71.9	174.5	-179.8	178.3	0	111.5	L21 K82 D83 Y84 Y88 C90	L21-K86 HydrophobicContact CD1-CB 4.44Å; L21-K86 HydrophobicContact CD1-CD 4.47Å; L21-K86 HydrophobicContact CD2-CB 4.43Å; L21-K86 HydrophobicContact CD2-CG 4.08Å; K82-K86 VanDerWaalsContact O-CG 3.28Å; K82-K86 WeakPolarHBondContact O-CG 3.47Å; K82-K86 PolarHBondContact O-N 2.76Å; D83-K86 PolarHBondContact O-N 2.99Å; Y84-K86 PolarHBondContact O-N 3.41Å; K86-Y88 VanDerWaalsContact C-N 3.33Å; K86-C90 CarbonylContact O-C 3.43Å; K86-C90 PolarHBondContact O-N 3.35Å
87	E	96.6	Very high	97.4	Very high	22 Å²	22	59.8 Å²	59.8	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-40.4	177.3	-168.8	66.3	-165.8	0	0	111.8	Y38 G63 F64 D83 Y84 P91 A94	Y38-E87 PolarHBondContact OH-OE1 2.86Å; G63-E87 WeakPolarHBondContact CA-OE1 3.37Å; F64-E87 HydrophobicContact CB-CB 4.25Å; F64-E87 HydrophobicContact CB-CG 4Å; D83-E87 PolarHBondContact O-N 2.9Å; Y84-E87 PolarHBondContact O-N 2.84Å; E87-P91 WeakPolarHBondContact O-CA 3.36Å; E87-P91 VanDerWaalsContact O-CB 3.29Å; E87-P91 WeakPolarHBondContact O-CB 3.48Å; E87-P91 WeakPolarHBondContact O-CD 3.23Å; E87-A94 WeakPolarHBondContact OE2-CB 3.29Å
88	Y	96.4	Very high	97.5	Very high	159 Å²	159	55.8 Å²	55.8	62%	0.624	29%	0.285	S	S	*	.	H	α-helix	trans	-69.3	-43.8	179.8	-178.1	-96	0	0	0	112.6	Y84 L85 K86	Y84-Y88 VanDerWaalsContact O-CB 3.29Å; Y84-Y88 WeakPolarHBondContact O-CB 3.42Å; Y84-Y88 PolarHBondContact O-N 3.24Å; L85-Y88 PolarHBondContact O-N 3.29Å; K86-Y88 VanDerWaalsContact C-N 3.33Å
89	F	96.8	Very high	97.6	Very high	157 Å²	157	54.2 Å²	54.2	69%	0.689	27%	0.268	S	S	*	.	H	α-helix	trans	-82	-37.3	-174.9	-74.6	-62	0	0	0	114.1	L85	L85-F89 HydrophobicContact CB-CD2 4.21Å; L85-F89 HydrophobicContact CB-CE2 4.25Å; L85-F89 HydrophobicContact CD2-CE2 3.95Å; L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 3.04Å
90	C	96.8	Very high	97.7	Very high	29 Å²	29	51.4 Å²	51.4	20%	0.196	25%	0.25	C	C	.	.			trans	-147.4	82.9	172.4	-170.4	0	0	0	0	110.6	F22 K86 L92 C93 A94	F22-C90 HydrophobicContact CE1-CB 4.37Å; K86-C90 CarbonylContact O-C 3.43Å; K86-C90 PolarHBondContact O-N 3.35Å; C90-L92 PolarHBondContact O-N 3.39Å; C90-C93 HydrophobicContact CB-CB 3.72Å; C90-C93 WeakPolarHBondContact CB-SG 3.37Å; C90-C93 PolarHBondContact O-N 2.86Å; C90-C93 WeakPolarHBondContact SG-CB 3.29Å; C90-C93 PolarHBondContact SG-N 3.36Å; C90-C93 CovalentContact SG-SG 2.06Å; C90-C93 PolarHBondContact SG-SG 3.4Å; C90-A94 VanDerWaalsContact O-CB 3.29Å; C90-A94 WeakPolarHBondContact O-CB 3.29Å; C90-A94 PolarHBondContact O-N 2.86Å
91	P	96.5	Very high	97.7	Very high	51 Å²	51	46.8 Å²	46.8	33%	0.331	23%	0.226	S	C	.	.	H	α-helix	trans	-61.2	-33.6	-179.1	21.9	-31	0	0	0	112.4	Y38 E87 A94 A95	Y38-P91 HydrophobicContact CE2-CB 4.44Å; E87-P91 WeakPolarHBondContact O-CA 3.36Å; E87-P91 VanDerWaalsContact O-CB 3.29Å; E87-P91 WeakPolarHBondContact O-CB 3.48Å; E87-P91 WeakPolarHBondContact O-CD 3.23Å; P91-A94 PolarHBondContact O-N 3.44Å; P91-A95 WeakPolarHBondContact O-CB 3.49Å; P91-A95 PolarHBondContact O-N 3.02Å
92	L	97.6	Very high	97.7	Very high	63 Å²	63	42.8 Å²	42.8	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-48	178.3	-55.8	-177	0	0	0	111.8	V34 L35 Y38 C90 A94 A95 C96	V34-L92 HydrophobicContact CG1-CB 4.46Å; V34-L92 HydrophobicContact CG1-CD2 4.13Å; L35-L92 HydrophobicContact CD1-CD1 3.52Å; Y38-L92 HydrophobicContact CD2-CD2 3.6Å; Y38-L92 HydrophobicContact CE2-CD2 4.4Å; Y38-L92 HydrophobicContact CG-CD2 4.17Å; C90-L92 PolarHBondContact O-N 3.39Å; L92-A94 VanDerWaalsContact C-N 3.25Å; L92-A94 PolarHBondContact O-N 2.66Å; L92-A95 PolarHBondContact O-N 3.11Å; L92-C96 WeakPolarHBondContact O-CB 3.29Å; L92-C96 PolarHBondContact O-N 3.34Å; L92-C96 PolarHBondContact O-SG 2.75Å
93	C	97.9	Very high	97.7	Very high	17 Å²	17	39.6 Å²	39.6	12%	0.115	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-38.3	174.9	-44.4	0	0	0	0	110.7	L21 F22 C90 C96 Q97	L21-C93 HydrophobicContact CD1-CB 4.12Å; L21-C93 HydrophobicContact CG-CB 4.12Å; L21-C93 WeakPolarHBondContact O-CB 3.26Å; F22-C93 HydrophobicContact CD1-CB 4.34Å; F22-C93 HydrophobicContact CE1-CB 4.42Å; C90-C93 HydrophobicContact CB-CB 3.72Å; C90-C93 WeakPolarHBondContact CB-SG 3.37Å; C90-C93 PolarHBondContact O-N 2.86Å; C90-C93 WeakPolarHBondContact SG-CB 3.29Å; C90-C93 PolarHBondContact SG-N 3.36Å; C90-C93 CovalentContact SG-SG 2.06Å; C90-C93 PolarHBondContact SG-SG 3.4Å; C93-C96 WeakPolarHBondContact O-CB 3.45Å; C93-C96 PolarHBondContact O-N 2.82Å; C93-Q97 WeakPolarHBondContact O-CB 3.21Å; C93-Q97 PolarHBondContact O-N 3.27Å
94	A	98.3	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-43.8	178.2	0	0	0	0	0	111.8	L21 R67 E87 C90 P91 L92 L98	L21-A94 HydrophobicContact CD1-CB 4.17Å; R67-A94 PolarHBondContact NH2-O 2.87Å; E87-A94 WeakPolarHBondContact OE2-CB 3.29Å; C90-A94 VanDerWaalsContact O-CB 3.29Å; C90-A94 WeakPolarHBondContact O-CB 3.29Å; C90-A94 PolarHBondContact O-N 2.86Å; P91-A94 PolarHBondContact O-N 3.44Å; L92-A94 VanDerWaalsContact C-N 3.25Å; L92-A94 PolarHBondContact O-N 2.66Å; A94-L98 WeakPolarHBondContact O-CB 3.2Å; A94-L98 PolarHBondContact O-N 3.45Å
95	A	98.5	Very high	97.7	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-42.2	173.8	0	0	0	0	0	111.9	V34 Y38 M42 P91 L92 L98 D99	V34-A95 HydrophobicContact CG1-CB 3.97Å; Y38-A95 HydrophobicContact CD2-CB 4.29Å; Y38-A95 HydrophobicContact CE2-CB 3.73Å; M42-A95 HydrophobicContact SD-CB 4.43Å; P91-A95 WeakPolarHBondContact O-CB 3.49Å; P91-A95 PolarHBondContact O-N 3.02Å; L92-A95 PolarHBondContact O-N 3.11Å; A95-L98 PolarHBondContact O-N 2.74Å; A95-D99 WeakPolarHBondContact O-CB 3.45Å; A95-D99 PolarHBondContact O-N 2.79Å
96	C	98.3	Very high	97.6	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-55.3	-51.4	172.5	-87.9	0	0	0	0	113.1	C31 L92 C93 L98 D99 R100	C31-C96 WeakPolarHBondContact CA-SG 3.19Å; C31-C96 HydrophobicContact CB-CB 4.46Å; C31-C96 WeakPolarHBondContact CB-SG 3.44Å; C31-C96 WeakPolarHBondContact SG-CB 3.4Å; C31-C96 CovalentContact SG-SG 2.05Å; C31-C96 PolarHBondContact SG-SG 3.14Å; L92-C96 WeakPolarHBondContact O-CB 3.29Å; L92-C96 PolarHBondContact O-N 3.34Å; L92-C96 PolarHBondContact O-SG 2.75Å; C93-C96 WeakPolarHBondContact O-CB 3.45Å; C93-C96 PolarHBondContact O-N 2.82Å; C96-L98 VanDerWaalsContact C-N 3.29Å; C96-L98 PolarHBondContact O-N 3.03Å; C96-D99 PolarHBondContact O-N 2.93Å; C96-R100 WeakPolarHBondContact O-CG 3.28Å; C96-R100 PolarHBondContact O-N 3.24Å; C96-R100 VanDerWaalsContact O-N 3.08Å; C96-R100 PolarHBondContact O-NH1 3.02Å
97	Q	98.5	Very high	97.6	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-42.9	177.3	179.3	-174.9	52.6	0	0	110.9	W17 D19 G20 L21 C93 D101	W17-Q97 HydrophobicContact CD2-CG 4.41Å; W17-Q97 HydrophobicContact CE3-CG 4.15Å; D19-Q97 PolarHBondContact O-NE2 3.38Å; G20-Q97 VanDerWaalsContact C-NE2 3.32Å; L21-Q97 HydrophobicContact CD1-CB 4.41Å; C93-Q97 WeakPolarHBondContact O-CB 3.21Å; C93-Q97 PolarHBondContact O-N 3.27Å; Q97-D101 PolarHBondContact O-N 3.4Å
98	L	98.5	Very high	97.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-44.1	179	177	62.1	0	0	0	111.6	W17 M45 L66 R67 H70 A94 A95 C96 D101 M102	W17-L98 HydrophobicContact CH2-CD1 3.98Å; W17-L98 HydrophobicContact CZ3-CD1 3.9Å; M45-L98 HydrophobicContact CE-CB 3.81Å; M45-L98 HydrophobicContact CE-CD2 3.56Å; M45-L98 HydrophobicContact CE-CG 3.42Å; M45-L98 VanDerWaalsContact CE-CG 3.42Å; L66-L98 HydrophobicContact CB-CD2 4.1Å; L66-L98 HydrophobicContact CD2-CD2 3.96Å; L66-L98 HydrophobicContact CG-CD2 3.93Å; R67-L98 HydrophobicContact CB-CD2 4.23Å; H70-L98 HydrophobicContact CB-CD1 3.59Å; H70-L98 VanDerWaalsContact CG-CD1 3.42Å; A94-L98 WeakPolarHBondContact O-CB 3.2Å; A94-L98 PolarHBondContact O-N 3.45Å; A95-L98 PolarHBondContact O-N 2.74Å; C96-L98 VanDerWaalsContact C-N 3.29Å; C96-L98 PolarHBondContact O-N 3.03Å; L98-D101 PolarHBondContact O-N 3.26Å; L98-M102 HydrophobicContact CD1-CG 4.39Å; L98-M102 HydrophobicContact CD1-SD 4.41Å; L98-M102 HydrophobicContact CG-SD 4.05Å; L98-M102 VanDerWaalsContact O-CG 3.24Å; L98-M102 WeakPolarHBondContact O-CG 2.97Å; L98-M102 PolarHBondContact O-N 3.47Å
99	D	98.4	Very high	97.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-41.9	179	-178.7	78.5	0	0	0	113	Y41 M45 R48 A95 C96 M102 K103	Y41-D99 HydrophobicContact CE1-CB 4Å; Y41-D99 WeakPolarHBondContact CE1-OD1 3.33Å; Y41-D99 PolarHBondContact OH-OD1 2.98Å; Y41-D99 PolarHBondContact OH-OD2 3.05Å; M45-D99 HydrophobicContact CE-CB 3.87Å; M45-D99 HydrophobicContact SD-CB 4.22Å; R48-D99 IonicContact NH1-OD1 3.54Å; R48-D99 PolarHBondContact NH1-OD1 2.95Å; A95-D99 WeakPolarHBondContact O-CB 3.45Å; A95-D99 PolarHBondContact O-N 2.79Å; C96-D99 PolarHBondContact O-N 2.93Å; D99-M102 PolarHBondContact O-N 3.32Å; D99-K103 WeakPolarHBondContact O-CG 3.17Å; D99-K103 PolarHBondContact O-N 3.45Å; D99-K103 WeakPolarHBondContact OD2-CE 3.46Å; D99-K103 IonicContact OD2-NZ 2.92Å; D99-K103 PolarHBondContact OD2-NZ 2.86Å
100	R	98.2	Very high	97.1	Very high	9 Å²	9	34.1 Å²	34.1	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-41.5	174.5	-69.5	-167.7	-55	-85.5	2.2	111.7	D19 G20 D23 D27 C96 K103 Y104	D19-R100 WeakPolarHBondContact OD2-CD 2.96Å; D19-R100 IonicContact OD2-CZ 2.82Å; D19-R100 IonicContact OD2-NE 2.88Å; D19-R100 PolarHBondContact OD2-NE 3.04Å; G20-R100 PolarHBondContact O-NH2 3.46Å; D23-R100 PolarHBondContact O-NH1 3.19Å; D23-R100 PolarHBondContact O-NH2 3Å; D27-R100 HydrophobicContact CB-CG 3.8Å; C96-R100 WeakPolarHBondContact O-CG 3.28Å; C96-R100 PolarHBondContact O-N 3.24Å; C96-R100 VanDerWaalsContact O-N 3.08Å; C96-R100 PolarHBondContact O-NH1 3.02Å; R100-K103 PolarHBondContact O-N 3.41Å; R100-Y104 PolarHBondContact O-N 3.34Å
101	D	98.4	Very high	96.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-39.6	176.3	-158.1	107.1	0	0	0	111.9	R15 W17 H18 H70 Q97 L98 K103 Y104 V105	R15-D101 IonicContact CZ-OD1 2.86Å; R15-D101 IonicContact CZ-OD2 3.11Å; R15-D101 IonicContact NH1-OD1 2.83Å; R15-D101 PolarHBondContact NH1-OD1 3.31Å; R15-D101 IonicContact NH1-OD2 3.87Å; R15-D101 PolarHBondContact NH1-OD2 2.91Å; R15-D101 VanDerWaalsContact NH1-OD2 3.11Å; R15-D101 IonicContact NH2-OD1 3.97Å; R15-D101 IonicContact NH2-OD2 3.83Å; R15-D101 PolarHBondContact NH2-OD2 2.05Å; W17-D101 WeakPolarHBondContact CA-OD1 3.44Å; W17-D101 HydrophobicContact CE3-CB 3.71Å; W17-D101 HydrophobicContact CZ3-CB 3.92Å; H18-D101 PolarHBondContact N-OD1 2.98Å; H70-D101 IonicContact CE1-OD2 3.66Å; H70-D101 IonicContact NE2-OD2 2.66Å; H70-D101 PolarHBondContact NE2-OD2 2.88Å; Q97-D101 PolarHBondContact O-N 3.4Å; L98-D101 PolarHBondContact O-N 3.26Å; D101-K103 VanDerWaalsContact C-N 3.31Å; D101-K103 PolarHBondContact O-N 3.33Å; D101-Y104 WeakPolarHBondContact O-CB 3.33Å; D101-Y104 PolarHBondContact O-N 3.05Å; D101-Y104 VanDerWaalsContact O-N 3.13Å; D101-V105 WeakPolarHBondContact O-CG2 3.43Å; D101-V105 PolarHBondContact O-N 3.46Å
102	M	98.3	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-43.4	171.8	-70	165.4	68.6	0	0	111.8	M45 R48 Y49 L98 D99 V105 E106 L112	M45-M102 HydrophobicContact CB-CE 3.96Å; M45-M102 HydrophobicContact CB-SD 4.21Å; M45-M102 HydrophobicContact CE-SD 3.39Å; M45-M102 WeakPolarHBondContact CE-SD 3.34Å; M45-M102 HydrophobicContact CG-CE 4.4Å; M45-M102 HydrophobicContact CG-SD 4.34Å; M45-M102 VanDerWaalsContact O-CE 3.29Å; M45-M102 WeakPolarHBondContact O-CE 3.49Å; R48-M102 HydrophobicContact CB-CE 3.67Å; R48-M102 HydrophobicContact CG-CE 4.35Å; R48-M102 VanDerWaalsContact NH2-C 3.32Å; Y49-M102 HydrophobicContact CD2-CE 3.94Å; Y49-M102 HydrophobicContact CE2-CE 4Å; Y49-M102 HydrophobicContact CE2-CG 4.23Å; Y49-M102 HydrophobicContact CE2-SD 4.24Å; L98-M102 HydrophobicContact CD1-CG 4.39Å; L98-M102 HydrophobicContact CD1-SD 4.41Å; L98-M102 HydrophobicContact CG-SD 4.05Å; L98-M102 VanDerWaalsContact O-CG 3.24Å; L98-M102 WeakPolarHBondContact O-CG 2.97Å; L98-M102 PolarHBondContact O-N 3.47Å; D99-M102 PolarHBondContact O-N 3.32Å; M102-V105 PolarHBondContact O-N 3.06Å; M102-E106 WeakPolarHBondContact O-CG 3.44Å; M102-E106 PolarHBondContact O-N 2.83Å; M102-L112 HydrophobicContact CB-CD1 3.95Å; M102-L112 HydrophobicContact CB-CD2 3.99Å; M102-L112 HydrophobicContact CE-CD2 3.33Å; M102-L112 HydrophobicContact CG-CD1 4.06Å; M102-L112 HydrophobicContact CG-CD2 3.92Å; M102-L112 HydrophobicContact SD-CD2 4.42Å
103	K	97.7	Very high	96.6	Very high	61 Å²	61	34.6 Å²	34.6	27%	0.265	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-41.3	174.8	-73.7	169.8	174.3	149.5	0	112	D27 S30 R48 D99 R100 D101 V105 E106 A107	D27-K103 IonicContact OD2-NZ 3.02Å; D27-K103 PolarHBondContact OD2-NZ 3.45Å; S30-K103 PolarHBondContact OG-NZ 2.95Å; R48-K103 VanDerWaalsContact NH2-N 3.19Å; D99-K103 WeakPolarHBondContact O-CG 3.17Å; D99-K103 PolarHBondContact O-N 3.45Å; D99-K103 WeakPolarHBondContact OD2-CE 3.46Å; D99-K103 IonicContact OD2-NZ 2.92Å; D99-K103 PolarHBondContact OD2-NZ 2.86Å; R100-K103 PolarHBondContact O-N 3.41Å; D101-K103 VanDerWaalsContact C-N 3.31Å; D101-K103 PolarHBondContact O-N 3.33Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-E106 PolarHBondContact O-N 3.42Å; K103-A107 VanDerWaalsContact O-CB 3.28Å; K103-A107 WeakPolarHBondContact O-CB 3.5Å; K103-A107 PolarHBondContact O-N 2.88Å
104	Y	97.6	Very high	95.8	Very high	91 Å²	91	39.8 Å²	39.8	36%	0.357	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-43.3	175.5	169	-102.2	0	0	0	111.9	H18 R100 D101 A107 T108	H18-Y104 HydrophobicContact CB-CD1 3.93Å; H18-Y104 HydrophobicContact CB-CD2 4.41Å; H18-Y104 HydrophobicContact CB-CG 3.81Å; H18-Y104 AromaticContact CE1-CD2 3.38Å; H18-Y104 WeakPolarHBondContact CE1-CD2 3.21Å; H18-Y104 AromaticContact CE1-CE2 3.82Å; H18-Y104 AromaticContact CG-CD2 3.7Å; H18-Y104 AromaticContact CG-CG 3.54Å; H18-Y104 AromaticContact ND1-CD2 3.16Å; H18-Y104 WeakPolarHBondContact ND1-CD2 3.37Å; H18-Y104 AromaticContact ND1-CE2 3.5Å; H18-Y104 WeakPolarHBondContact ND1-CE2 3.06Å; H18-Y104 AromaticContact ND1-CG 3.48Å; H18-Y104 AromaticContact NE2-CD2 3.99Å; R100-Y104 PolarHBondContact O-N 3.34Å; D101-Y104 WeakPolarHBondContact O-CB 3.33Å; D101-Y104 PolarHBondContact O-N 3.05Å; D101-Y104 VanDerWaalsContact O-N 3.13Å; Y104-A107 PolarHBondContact O-N 2.78Å; Y104-T108 WeakPolarHBondContact O-CB 3.42Å; Y104-T108 PolarHBondContact O-N 3.02Å; Y104-T108 VanDerWaalsContact O-N 3.08Å; Y104-T108 PolarHBondContact O-OG1 3.01Å
105	V	97.4	Very high	95.7	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-52.7	175	175	0	0	0	0	110.4	H74 D101 M102 K103 A107 T108 S109 L112	H74-V105 HydrophobicContact CB-CG2 4.44Å; D101-V105 WeakPolarHBondContact O-CG2 3.43Å; D101-V105 PolarHBondContact O-N 3.46Å; M102-V105 PolarHBondContact O-N 3.06Å; K103-V105 VanDerWaalsContact C-N 3.35Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 PolarHBondContact O-N 3.42Å; V105-T108 PolarHBondContact O-N 2.91Å; V105-S109 WeakPolarHBondContact CG1-OG 3.28Å; V105-S109 PolarHBondContact O-N 2.66Å; V105-S109 PolarHBondContact O-OG 3.36Å; V105-L112 HydrophobicContact CB-CD1 3.94Å; V105-L112 HydrophobicContact CG1-CD1 3.93Å
106	E	96.5	Very high	95.5	Very high	61 Å²	61	43.9 Å²	43.9	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-55.8	-40.7	178.4	-74.8	171.8	-177	0	0	112.5	R48 M102 K103 T108 G110 L112	R48-E106 IonicContact CZ-OE1 2.73Å; R48-E106 IonicContact CZ-OE2 3.5Å; R48-E106 IonicContact NE-OE1 2.66Å; R48-E106 PolarHBondContact NE-OE1 3.26Å; R48-E106 IonicContact NE-OE2 3.69Å; R48-E106 IonicContact NH2-OE1 4Å; R48-E106 PolarHBondContact NH2-OE1 3.29Å; R48-E106 IonicContact NH2-OE2 3.8Å; R48-E106 PolarHBondContact NH2-OE2 3.26Å; M102-E106 WeakPolarHBondContact O-CG 3.44Å; M102-E106 PolarHBondContact O-N 2.83Å; K103-E106 PolarHBondContact O-N 3.42Å; E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 2.06Å; E106-G110 WeakPolarHBondContact O-CA 3.09Å; E106-G110 PolarHBondContact O-N 3.11Å; E106-L112 HydrophobicContact CG-CB 3.66Å; E106-L112 HydrophobicContact CG-CD1 4.4Å; E106-L112 HydrophobicContact CG-CG 4.46Å
107	A	96.2	Very high	95.4	Very high	90 Å²	90	46 Å²	46	74%	0.744	28%	0.278	S	S	*	.	H	α-helix	trans	-67.2	-26.9	176.5	0	0	0	0	0	113.2	K103 Y104 V105	K103-A107 VanDerWaalsContact O-CB 3.28Å; K103-A107 WeakPolarHBondContact O-CB 3.5Å; K103-A107 PolarHBondContact O-N 2.88Å; Y104-A107 PolarHBondContact O-N 2.78Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 PolarHBondContact O-N 3.42Å
108	T	95.2	Very high	95.2	Very high	96 Å²	96	48.4 Å²	48.4	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-91.3	-44	-177.1	-55.2	0	0	0	0	112.7	Y104 V105 E106	Y104-T108 WeakPolarHBondContact O-CB 3.42Å; Y104-T108 PolarHBondContact O-N 3.02Å; Y104-T108 VanDerWaalsContact O-N 3.08Å; Y104-T108 PolarHBondContact O-OG1 3.01Å; V105-T108 PolarHBondContact O-N 2.91Å; E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 2.06Å
109	S	92.6	Very high	95	Very high	60 Å²	60	51.3 Å²	51.3	42%	0.42	31%	0.31	S	S	.	.	H	α-helix	trans	-102.5	-10.7	-176.4	49.6	0	0	0	0	114.3	V105 I111	V105-S109 WeakPolarHBondContact CG1-OG 3.28Å; V105-S109 PolarHBondContact O-N 2.66Å; V105-S109 PolarHBondContact O-OG 3.36Å; S109-I111 PolarHBondContact O-N 3.36Å; S109-I111 VanDerWaalsContact O-N 3.15Å; S109-I111 PolarHBondContact OG-O 3.42Å
110	G	92.9	Very high	94.7	Very high	62 Å²	62	54.6 Å²	54.6	64%	0.639	33%	0.33	S	S	*	.	S	Bend	trans	77.7	-19.2	-175.1	0	0	0	0	0	114.6	E106	E106-G110 WeakPolarHBondContact O-CA 3.09Å; E106-G110 PolarHBondContact O-N 3.11Å
111	I	92	Very high	94.5	Very high	98 Å²	98	57.9 Å²	57.9	50%	0.503	35%	0.351	S	S	.	.			trans	-135.7	141.9	175.6	59.4	172.2	0	0	0	110.2	S109 V114	S109-I111 PolarHBondContact O-N 3.36Å; S109-I111 VanDerWaalsContact O-N 3.15Å; S109-I111 PolarHBondContact OG-O 3.42Å; I111-V114 HydrophobicContact CD1-CB 4.38Å; I111-V114 HydrophobicContact CD1-CG2 4Å; I111-V114 HydrophobicContact CG1-CG2 3.78Å
112	L	94.8	Very high	94.2	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	38%	0.378	C	S	.	.	S	Bend	trans	-81.5	-45.5	175.2	-173.8	59.9	0	0	0	111.7	R48 Y49 H74 M102 V105 E106 V114	R48-L112 HydrophobicContact CB-CD2 3.9Å; Y49-L112 HydrophobicContact CD1-CD2 4.19Å; Y49-L112 HydrophobicContact CD1-CG 4.11Å; Y49-L112 HydrophobicContact CD2-CD2 3.81Å; Y49-L112 HydrophobicContact CD2-CG 4.48Å; Y49-L112 HydrophobicContact CE1-CD1 4.32Å; Y49-L112 HydrophobicContact CE1-CD2 4.05Å; Y49-L112 HydrophobicContact CE1-CG 3.66Å; Y49-L112 HydrophobicContact CE2-CD2 3.69Å; Y49-L112 HydrophobicContact CE2-CG 4.11Å; Y49-L112 HydrophobicContact CG-CD2 4.09Å; H74-L112 PolarHBondContact CE1-O 3.3Å; H74-L112 PolarHBondContact NE2-O 2.85Å; M102-L112 HydrophobicContact CB-CD1 3.95Å; M102-L112 HydrophobicContact CB-CD2 3.99Å; M102-L112 HydrophobicContact CE-CD2 3.33Å; M102-L112 HydrophobicContact CG-CD1 4.06Å; M102-L112 HydrophobicContact CG-CD2 3.92Å; M102-L112 HydrophobicContact SD-CD2 4.42Å; V105-L112 HydrophobicContact CB-CD1 3.94Å; V105-L112 HydrophobicContact CG1-CD1 3.93Å; E106-L112 HydrophobicContact CG-CB 3.66Å; E106-L112 HydrophobicContact CG-CD1 4.4Å; E106-L112 HydrophobicContact CG-CG 4.46Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.09Å; L112-V114 VanDerWaalsContact O-N 3.14Å
113	N	93.2	Very high	93.9	Very high	48 Å²	48	67.4 Å²	67.4	26%	0.257	41%	0.409	S	S	.	.			trans	-91.1	61.2	-173.4	-163.6	27.3	0	0	0	111.5	Y49 D50 Y69 K73	Y49-N113 HydrophobicContact CD1-CB 4.16Å; Y49-N113 PolarHBondContact O-ND2 3.21Å; D50-N113 WeakPolarHBondContact OD2-CB 3.48Å; D50-N113 PolarHBondContact OD2-ND2 3.02Å; D50-N113 VanDerWaalsContact OD2-ND2 3.09Å; Y69-N113 PolarHBondContact OH-OD1 2.85Å; K73-N113 PolarHBondContact NZ-OD1 2.77Å
114	V	80.4	Confident	93.5	Very high	127 Å²	127	68 Å²	68	77%	0.77	42%	0.423	S	S	*	.			trans	-58.8	0	177.6	-174.4	0	0	0	0	112.3	K73 I111 L112	K73-V114 WeakPolarHBondContact CE-O 3.13Å; K73-V114 PolarHBondContact NZ-O 3.03Å; I111-V114 HydrophobicContact CD1-CB 4.38Å; I111-V114 HydrophobicContact CD1-CG2 4Å; I111-V114 HydrophobicContact CG1-CG2 3.78Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.09Å; L112-V114 VanDerWaalsContact O-N 3.14Å

Retrieved 114 of 114 residues in 26.9 ms (Link to these results)

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