A0A077ZJR3_TRITR Loading...

Nose resistant to fluoxetine protein 6

AlphaFold DB , UniProt , Accession A0A077ZJR3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 702 aa.

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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	26.6	Very low	38.5	Very low	162 Å²	162	84.2 Å²	84.2	80%	0.798	43%	0.425	S	S	*	.				0	-70.6	0	-103.6	172.6	148.9	0	0	111	F3 F4 T5	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 2.96Å; M1-F3 VanDerWaalsContact O-N 3.11Å; M1-F4 CarbonylContact O-C 3.57Å; M1-F4 VanDerWaalsContact O-CA 3.29Å; M1-F4 WeakPolarHBondContact O-CA 3.41Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 2.81Å; M1-T5 VanDerWaalsContact C-OG1 3.27Å; M1-T5 PolarHBondContact O-N 2.94Å; M1-T5 PolarHBondContact O-OG1 3.12Å
2	I	35.8	Very low	38.6	Very low	70 Å²	70	86 Å²	86	36%	0.359	44%	0.435	S	S	.	.	H	α-helix	trans	-54.9	-35.8	-176.8	-63.8	160.9	0	0	0	115.1	T5 F6 F587	I2-T5 CarbonylContact O-C 3.32Å; I2-T5 PolarHBondContact O-N 3.03Å; I2-F6 VanDerWaalsContact O-CB 3.31Å; I2-F6 WeakPolarHBondContact O-CB 3.44Å; I2-F6 PolarHBondContact O-N 3.21Å; I2-F587 HydrophobicContact CD1-CE2 4.32Å; I2-F587 HydrophobicContact CD1-CZ 3.79Å
3	F	34.5	Very low	38.7	Very low	78 Å²	78	82 Å²	82	34%	0.342	42%	0.424	S	S	.	.	H	α-helix	trans	-73.4	-32.4	172.8	-169.7	-94.1	0	0	0	113.1	M1 F6 L7 F586	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 2.96Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-F6 WeakPolarHBondContact O-CB 3.45Å; F3-F6 PolarHBondContact O-N 2.94Å; F3-L7 HydrophobicContact CD1-CD1 4.43Å; F3-L7 HydrophobicContact CE1-CD1 3.9Å; F3-L7 PolarHBondContact O-N 3.45Å; F3-F586 HydrophobicContact CB-CZ 4.02Å
4	F	36.8	Very low	38.8	Very low	155 Å²	155	79.4 Å²	79.4	68%	0.68	42%	0.42	S	S	*	.	H	α-helix	trans	-74.7	-33	170.6	-100.8	-84.9	0	0	0	111.4	M1 F6 L7 L8	M1-F4 CarbonylContact O-C 3.57Å; M1-F4 VanDerWaalsContact O-CA 3.29Å; M1-F4 WeakPolarHBondContact O-CA 3.41Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 2.81Å; F4-F6 VanDerWaalsContact C-N 3.27Å; F4-L7 PolarHBondContact O-N 2.76Å; F4-L8 WeakPolarHBondContact O-CA 3.15Å; F4-L8 WeakPolarHBondContact O-CB 3.14Å; F4-L8 PolarHBondContact O-N 3.13Å
5	T	45.1	Very low	38.4	Very low	70 Å²	70	78.9 Å²	78.9	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-67.9	-33.1	168.4	-34.7	0	0	0	0	108.9	M1 I2 S9	M1-T5 VanDerWaalsContact C-OG1 3.27Å; M1-T5 PolarHBondContact O-N 2.94Å; M1-T5 PolarHBondContact O-OG1 3.12Å; I2-T5 CarbonylContact O-C 3.32Å; I2-T5 PolarHBondContact O-N 3.03Å; T5-S9 WeakPolarHBondContact O-CA 3.39Å; T5-S9 WeakPolarHBondContact O-CB 3.42Å; T5-S9 PolarHBondContact O-N 3.2Å; T5-S9 PolarHBondContact O-OG 3.12Å
6	F	37.4	Very low	37.8	Very low	33 Å²	33	81.9 Å²	81.9	15%	0.145	45%	0.447	C	S	.	.	H	α-helix	trans	-65.2	-50.9	172.7	-170.3	-91.7	0	0	0	110.8	I2 F3 F4 L8 F10 A274 Y303 I304 F639	I2-F6 VanDerWaalsContact O-CB 3.31Å; I2-F6 WeakPolarHBondContact O-CB 3.44Å; I2-F6 PolarHBondContact O-N 3.21Å; F3-F6 WeakPolarHBondContact O-CB 3.45Å; F3-F6 PolarHBondContact O-N 2.94Å; F4-F6 VanDerWaalsContact C-N 3.27Å; F6-L8 PolarHBondContact O-N 3.01Å; F6-F10 HydrophobicContact CD1-CD2 4.07Å; F6-F10 HydrophobicContact CD1-CE2 4.37Å; F6-F10 HydrophobicContact CD2-CE2 4.48Å; F6-F10 AromaticContact CE1-CD2 3.82Å; F6-F10 HydrophobicContact CE1-CD2 3.82Å; F6-F10 AromaticContact CE1-CE2 3.72Å; F6-F10 HydrophobicContact CE1-CE2 3.72Å; F6-F10 HydrophobicContact CE2-CD2 4.34Å; F6-F10 AromaticContact CE2-CE2 3.86Å; F6-F10 HydrophobicContact CE2-CE2 3.86Å; F6-F10 HydrophobicContact CG-CD2 4.43Å; F6-F10 AromaticContact CZ-CD2 3.98Å; F6-F10 HydrophobicContact CZ-CD2 3.98Å; F6-F10 AromaticContact CZ-CE2 3.44Å; F6-F10 HydrophobicContact CZ-CE2 3.44Å; F6-F10 VanDerWaalsContact CZ-CE2 3.44Å; F6-F10 HydrophobicContact CZ-CZ 4.29Å; F6-F10 VanDerWaalsContact O-CB 3.29Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 WeakPolarHBondContact O-CD2 3.2Å; F6-F10 PolarHBondContact O-N 3.33Å; F6-A274 HydrophobicContact CZ-CB 4.06Å; F6-Y303 AromaticContact CD2-CE1 3.98Å; F6-Y303 HydrophobicContact CD2-CE1 3.98Å; F6-Y303 HydrophobicContact CE2-CE1 4.05Å; F6-I304 HydrophobicContact CE2-CD1 4.11Å; F6-F639 HydrophobicContact CE1-CD1 4.23Å; F6-F639 AromaticContact CE1-CE1 3.61Å; F6-F639 HydrophobicContact CE1-CE1 3.61Å; F6-F639 HydrophobicContact CE1-CZ 4.34Å; F6-F639 AromaticContact CZ-CE1 3.89Å; F6-F639 HydrophobicContact CZ-CE1 3.89Å; F6-F639 HydrophobicContact CZ-CZ 4.23Å
7	L	42.3	Very low	37.5	Very low	79 Å²	79	84.2 Å²	84.2	41%	0.414	47%	0.465	S	S	.	.	H	α-helix	trans	-64.6	-38.4	175.5	-119.6	143.8	0	0	0	111.9	F3 F4 L11	F3-L7 HydrophobicContact CD1-CD1 4.43Å; F3-L7 HydrophobicContact CE1-CD1 3.9Å; F3-L7 PolarHBondContact O-N 3.45Å; F4-L7 PolarHBondContact O-N 2.76Å; L7-L11 HydrophobicContact CD2-CD1 3.69Å; L7-L11 HydrophobicContact CD2-CG 4.19Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CD1 3.38Å; L7-L11 WeakPolarHBondContact O-CG 3.5Å; L7-L11 PolarHBondContact O-N 2.96Å
8	L	43.4	Very low	37.1	Very low	96 Å²	96	87.7 Å²	87.7	50%	0.503	48%	0.482	S	S	.	.	H	α-helix	trans	-77	-36.1	-179.9	-166.2	77.8	0	0	0	111.7	F4 F6 F10 L11 L12	F4-L8 WeakPolarHBondContact O-CA 3.15Å; F4-L8 WeakPolarHBondContact O-CB 3.14Å; F4-L8 PolarHBondContact O-N 3.13Å; F6-L8 PolarHBondContact O-N 3.01Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.44Å; L8-L12 HydrophobicContact CD2-CD1 4.1Å; L8-L12 HydrophobicContact CG-CD1 3.76Å; L8-L12 HydrophobicContact CG-CG 4.08Å; L8-L12 WeakPolarHBondContact O-CA 3.44Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CD1 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.44Å
9	S	44.9	Very low	36.9	Very low	44 Å²	44	89.6 Å²	89.6	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-40	170.9	-64.6	0	0	0	0	110.4	T5 A13	T5-S9 WeakPolarHBondContact O-CA 3.39Å; T5-S9 WeakPolarHBondContact O-CB 3.42Å; T5-S9 PolarHBondContact O-N 3.2Å; T5-S9 PolarHBondContact O-OG 3.12Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.47Å
10	F	38.3	Very low	36.5	Very low	41 Å²	41	89.2 Å²	89.2	18%	0.18	51%	0.514	C	S	.	.	H	α-helix	trans	-66.8	-42.4	173.1	-99.3	-91	0	0	0	112	F6 L8 A14 I304 A636	F6-F10 HydrophobicContact CD1-CD2 4.07Å; F6-F10 HydrophobicContact CD1-CE2 4.37Å; F6-F10 HydrophobicContact CD2-CE2 4.48Å; F6-F10 AromaticContact CE1-CD2 3.82Å; F6-F10 HydrophobicContact CE1-CD2 3.82Å; F6-F10 AromaticContact CE1-CE2 3.72Å; F6-F10 HydrophobicContact CE1-CE2 3.72Å; F6-F10 HydrophobicContact CE2-CD2 4.34Å; F6-F10 AromaticContact CE2-CE2 3.86Å; F6-F10 HydrophobicContact CE2-CE2 3.86Å; F6-F10 HydrophobicContact CG-CD2 4.43Å; F6-F10 AromaticContact CZ-CD2 3.98Å; F6-F10 HydrophobicContact CZ-CD2 3.98Å; F6-F10 AromaticContact CZ-CE2 3.44Å; F6-F10 HydrophobicContact CZ-CE2 3.44Å; F6-F10 VanDerWaalsContact CZ-CE2 3.44Å; F6-F10 HydrophobicContact CZ-CZ 4.29Å; F6-F10 VanDerWaalsContact O-CB 3.29Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 WeakPolarHBondContact O-CD2 3.2Å; F6-F10 PolarHBondContact O-N 3.33Å; L8-F10 VanDerWaalsContact C-N 3.34Å; F10-A14 VanDerWaalsContact O-CB 3.26Å; F10-A14 WeakPolarHBondContact O-CB 3.25Å; F10-A14 PolarHBondContact O-N 2.99Å; F10-I304 HydrophobicContact CE2-CD1 4.35Å; F10-A636 HydrophobicContact CD1-CB 3.98Å; F10-A636 HydrophobicContact CE1-CB 4.2Å
11	L	38.2	Very low	36.3	Very low	98 Å²	98	90.8 Å²	90.8	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-73.1	-35.2	178.6	-74.2	169.2	0	0	0	112.1	L7 L8 A14 A15	L7-L11 HydrophobicContact CD2-CD1 3.69Å; L7-L11 HydrophobicContact CD2-CG 4.19Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CD1 3.38Å; L7-L11 WeakPolarHBondContact O-CG 3.5Å; L7-L11 PolarHBondContact O-N 2.96Å; L8-L11 PolarHBondContact O-N 3.44Å; L11-A14 CarbonylContact O-C 3.6Å; L11-A14 PolarHBondContact O-N 3Å; L11-A15 WeakPolarHBondContact O-CB 3.27Å; L11-A15 PolarHBondContact O-N 3.46Å
12	L	40.1	Very low	36.3	Very low	106 Å²	106	94.8 Å²	94.8	56%	0.555	53%	0.532	S	S	*	.	H	α-helix	trans	-71.1	-39.9	174.3	-73.2	168.3	0	0	0	110.5	L8 A14 A15 D16	L8-L12 HydrophobicContact CD2-CD1 4.1Å; L8-L12 HydrophobicContact CG-CD1 3.76Å; L8-L12 HydrophobicContact CG-CG 4.08Å; L8-L12 WeakPolarHBondContact O-CA 3.44Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CD1 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.44Å; L12-A14 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 3.22Å; L12-D16 PolarHBondContact O-N 2.9Å
13	A	40	Very low	36.2	Very low	34 Å²	34	94.1 Å²	94.1	28%	0.281	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-26.4	169.2	0	0	0	0	0	112.4	S9	S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.47Å
14	A	39.8	Very low	36	Very low	45 Å²	45	98 Å²	98	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-88.5	-17.3	174.4	0	0	0	0	0	114	F10 L11 L12	F10-A14 VanDerWaalsContact O-CB 3.26Å; F10-A14 WeakPolarHBondContact O-CB 3.25Å; F10-A14 PolarHBondContact O-N 2.99Å; L11-A14 CarbonylContact O-C 3.6Å; L11-A14 PolarHBondContact O-N 3Å; L12-A14 PolarHBondContact O-N 2.86Å
15	A	32.3	Very low	35.5	Very low	72 Å²	72	99.3 Å²	99.3	60%	0.595	58%	0.575	S	S	*	*	H	α-helix	trans	-98.2	-15.5	-173.8	0	0	0	0	0	113.5	L11 L12 T17	L11-A15 WeakPolarHBondContact O-CB 3.27Å; L11-A15 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 3.22Å; A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 2.97Å
16	D	30	Very low	34.9	Very low	128 Å²	128	103 Å²	103	68%	0.684	59%	0.591	S	S	*	*			trans	-94.3	66.9	175.7	-123.9	-9.1	0	0	0	110.5	L12	L12-D16 PolarHBondContact O-N 2.9Å
17	T	32.6	Very low	34.5	Very low	121 Å²	121	108.5 Å²	108.5	74%	0.742	62%	0.621	S	S	*	*			trans	-96.5	68.7	168.3	54.1	0	0	0	0	108.9	A15	A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 2.97Å
18	D	30	Very low	33.7	Very low	146 Å²	146	113 Å²	113	78%	0.781	64%	0.638	S	S	*	*			trans	-156.9	71.6	164.4	-130.8	-2.8	0	0	0	111.9
19	T	33.2	Very low	33.1	Very low	124 Å²	124	111.6 Å²	111.6	76%	0.761	63%	0.634	S	S	*	*			trans	-127.8	90.5	157.2	47.9	0	0	0	0	108.9	T21	T19-T21 PolarHBondContact O-N 2.87Å; T19-T21 VanDerWaalsContact O-N 3.09Å
20	G	28.4	Very low	32.5	Very low	81 Å²	81	115.1 Å²	115.1	84%	0.835	66%	0.656	S	S	*	*			trans	-57.2	110.9	168.1	0	0	0	0	0	110
21	T	32.2	Very low	32.2	Very low	124 Å²	124	119.7 Å²	119.7	76%	0.761	69%	0.687	S	S	*	*			trans	-125.5	131.2	169.3	44.1	0	0	0	0	109.5	T19	T19-T21 PolarHBondContact O-N 2.87Å; T19-T21 VanDerWaalsContact O-N 3.09Å
22	R	27.5	Very low	32.3	Very low	245 Å²	245	117.7 Å²	117.7	93%	0.925	68%	0.681	S	S	*	*			trans	-49.6	129.1	-169	-85.6	166.4	159.7	172.3	-6.6	113.3	D24	R22-D24 PolarHBondContact O-N 3.28Å
23	G	33.8	Very low	32.4	Very low	56 Å²	56	115.2 Å²	115.2	58%	0.577	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	42.5	-173.7	0	0	0	0	0	117.3
24	D	30.1	Very low	32.6	Very low	160 Å²	160	116.9 Å²	116.9	86%	0.856	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	-0.4	177.8	-71.8	-33.6	0	0	0	115.7	R22	R22-D24 PolarHBondContact O-N 3.28Å
25	E	26.6	Very low	33.1	Very low	183 Å²	183	119.1 Å²	119.1	86%	0.855	69%	0.688	S	S	*	*	S	Bend	trans	-110.4	10.4	174.2	-71.6	-173	166.1	0	0	114.1	L27	E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 2.99Å; E25-L27 VanDerWaalsContact O-N 3.07Å
26	L	31.6	Very low	34.2	Very low	148 Å²	148	116.8 Å²	116.8	78%	0.775	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	14.6	-168.6	-113.6	138.6	0	0	0	116.5
27	L	29.3	Very low	35.9	Very low	147 Å²	147	114.3 Å²	114.3	77%	0.77	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-10.5	179.3	-81	162.1	0	0	0	115.8	E25	E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 2.99Å; E25-L27 VanDerWaalsContact O-N 3.07Å
28	F	25.7	Very low	37.7	Very low	174 Å²	174	112.2 Å²	112.2	76%	0.763	64%	0.636	S	S	*	*			trans	-149.5	105.5	-179.2	-62.2	-76.7	0	0	0	113.8
29	P	30.5	Very low	39.8	Very low	66 Å²	66	108.6 Å²	108.6	43%	0.429	62%	0.617	S	S	.	*			trans	-96.2	165.9	160.7	38.5	-30.7	0	0	0	111.3
30	P	31.2	Very low	42	Very low	119 Å²	119	102.7 Å²	102.7	77%	0.773	58%	0.58	S	S	*	*			trans	-87	145.6	-144.7	32.7	-34.4	0	0	0	116.1
31	V	32.6	Very low	44.4	Very low	137 Å²	137	98.8 Å²	98.8	83%	0.83	54%	0.541	S	S	*	.	S	Bend	trans	41.8	94.9	147.7	-166.8	0	0	0	0	117.9
32	S	40.9	Very low	46.8	Very low	55 Å²	55	96.6 Å²	96.6	39%	0.385	52%	0.524	S	S	.	.	S	Bend	trans	161.3	-18.2	131	48.4	0	0	0	0	114.4	L34 D92	S32-L34 PolarHBondContact O-N 3.27Å; S32-D92 WeakPolarHBondContact CB-OD2 3.15Å
33	S	41.6	Very low	49.4	Very low	55 Å²	55	91 Å²	91	39%	0.385	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.9	157.6	59.2	0	0	0	0	107.5	P35	S33-P35 WeakPolarHBondContact O-CD 3.12Å; S33-P35 VanDerWaalsContact O-N 3.12Å
34	L	45.5	Very low	51.8	Low	68 Å²	68	88.3 Å²	88.3	36%	0.356	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	120.3	168.7	-76.2	154.5	0	0	0	105.9	S32 V36 V87 L143	S32-L34 PolarHBondContact O-N 3.27Å; L34-V36 PolarHBondContact O-N 2.98Å; L34-V87 HydrophobicContact CB-CB 4.49Å; L34-V87 HydrophobicContact CD1-CG1 4.06Å; L34-V87 PolarHBondContact N-O 3.17Å; L34-V87 VanDerWaalsContact N-O 3.17Å; L34-L143 HydrophobicContact CD1-CD2 4.44Å
35	P	50	Low	54.4	Low	93 Å²	93	81.3 Å²	81.3	60%	0.604	44%	0.442	S	S	*	.			trans	-56	113.4	177.2	21.4	-30.3	0	0	0	106.7	S33 N37	S33-P35 WeakPolarHBondContact O-CD 3.12Å; S33-P35 VanDerWaalsContact O-N 3.12Å; P35-N37 PolarHBondContact O-N 3.46Å; P35-N37 VanDerWaalsContact O-N 3.07Å
36	V	54	Low	57.2	Low	22 Å²	22	75 Å²	75	13%	0.133	42%	0.42	C	S	.	.			trans	-59.9	117.1	168.8	-180	0	0	0	0	104.2	L34 F40 F82 F85 V87	L34-V36 PolarHBondContact O-N 2.98Å; V36-F40 HydrophobicContact CG1-CB 3.55Å; V36-F40 HydrophobicContact CG1-CD1 3.47Å; V36-F40 VanDerWaalsContact CG1-CD1 3.47Å; V36-F40 HydrophobicContact CG1-CE1 4.43Å; V36-F40 HydrophobicContact CG1-CG 3.79Å; V36-F82 HydrophobicContact CG1-CE2 4.04Å; V36-F82 HydrophobicContact CG1-CZ 4.27Å; V36-F82 WeakPolarHBondContact O-CZ 3.11Å; V36-F85 HydrophobicContact CG1-CB 4Å; V36-V87 HydrophobicContact CG2-CG2 4.2Å
37	N	65.9	Low	59.8	Low	77 Å²	77	68.1 Å²	68.1	41%	0.412	39%	0.386	S	S	.	.			trans	-81.8	155.2	171.4	-172.7	-8.1	0	0	0	107.2	P35 D39 F40 F82 Y168	P35-N37 PolarHBondContact O-N 3.46Å; P35-N37 VanDerWaalsContact O-N 3.07Å; N37-D39 HydrophobicContact CB-CB 4.18Å; N37-D39 PolarHBondContact ND2-OD2 2.92Å; N37-D39 PolarHBondContact O-N 3.35Å; N37-F40 VanDerWaalsContact O-CB 3.3Å; N37-F40 WeakPolarHBondContact O-CB 3.36Å; N37-F40 PolarHBondContact O-N 3.21Å; N37-F82 WeakPolarHBondContact O-CE2 3.41Å; N37-Y168 PolarHBondContact N-OH 3.46Å
38	I	70.3	Confident	62.4	Low	76 Å²	76	61.2 Å²	61.2	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-46.6	-36	167.4	-74	171.9	0	0	0	110.4	F40 V41 L42 F78 F82	I38-F40 PolarHBondContact O-N 2.97Å; I38-V41 PolarHBondContact O-N 3.36Å; I38-V41 VanDerWaalsContact O-N 3.09Å; I38-L42 HydrophobicContact CG2-CD1 4.01Å; I38-L42 HydrophobicContact CG2-CG 4.29Å; I38-L42 PolarHBondContact O-N 3.02Å; I38-L42 VanDerWaalsContact O-N 3.14Å; I38-F78 HydrophobicContact CD1-CE1 4.47Å; I38-F82 VanDerWaalsContact CA-CE2 3.42Å; I38-F82 HydrophobicContact CB-CE2 4.33Å; I38-F82 HydrophobicContact CG1-CD2 4.24Å; I38-F82 HydrophobicContact CG1-CE2 3.9Å; I38-F82 HydrophobicContact CG1-CZ 4.02Å
39	D	74.4	Confident	65.2	Low	70 Å²	70	56.1 Å²	56.1	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-52	-37.3	173.5	-63.3	-19	0	0	0	113.4	N37 V41 L42 Y43	N37-D39 HydrophobicContact CB-CB 4.18Å; N37-D39 PolarHBondContact ND2-OD2 2.92Å; N37-D39 PolarHBondContact O-N 3.35Å; D39-V41 PolarHBondContact O-N 3.36Å; D39-L42 CarbonylContact O-C 3.55Å; D39-L42 PolarHBondContact O-N 3.16Å; D39-Y43 VanDerWaalsContact C-CD2 3.48Å; D39-Y43 HydrophobicContact CB-CD2 4.08Å; D39-Y43 HydrophobicContact CB-CE2 3.78Å; D39-Y43 WeakPolarHBondContact O-CB 3.26Å; D39-Y43 WeakPolarHBondContact O-CD2 3.09Å; D39-Y43 VanDerWaalsContact O-CG 3.3Å; D39-Y43 PolarHBondContact O-N 2.82Å
40	F	79.2	Confident	67.8	Low	0 Å²	0	59 Å²	59	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-44.5	178.1	-178.4	-103.1	0	0	0	112.3	V36 N37 I38 L42 Y43 V44 F85 V87 Y145 F147 L165 Y168	V36-F40 HydrophobicContact CG1-CB 3.55Å; V36-F40 HydrophobicContact CG1-CD1 3.47Å; V36-F40 VanDerWaalsContact CG1-CD1 3.47Å; V36-F40 HydrophobicContact CG1-CE1 4.43Å; V36-F40 HydrophobicContact CG1-CG 3.79Å; N37-F40 VanDerWaalsContact O-CB 3.3Å; N37-F40 WeakPolarHBondContact O-CB 3.36Å; N37-F40 PolarHBondContact O-N 3.21Å; I38-F40 PolarHBondContact O-N 2.97Å; F40-L42 VanDerWaalsContact C-N 3.26Å; F40-L42 PolarHBondContact O-N 2.93Å; F40-Y43 PolarHBondContact O-N 3.36Å; F40-V44 HydrophobicContact CD1-CG2 4.25Å; F40-V44 HydrophobicContact CE1-CG2 3.95Å; F40-V44 HydrophobicContact CZ-CG2 4.1Å; F40-V44 VanDerWaalsContact O-CG2 3.31Å; F40-V44 WeakPolarHBondContact O-CG2 3.48Å; F40-V44 PolarHBondContact O-N 2.88Å; F40-F85 HydrophobicContact CD1-CB 4.34Å; F40-F85 HydrophobicContact CD1-CD1 4.28Å; F40-F85 HydrophobicContact CE1-CB 4.37Å; F40-F85 AromaticContact CE1-CD1 3.96Å; F40-F85 HydrophobicContact CE1-CD1 3.96Å; F40-V87 HydrophobicContact CD2-CG2 4.39Å; F40-V87 HydrophobicContact CE1-CG2 4.24Å; F40-V87 HydrophobicContact CE2-CG2 3.86Å; F40-V87 HydrophobicContact CZ-CG2 3.76Å; F40-Y145 HydrophobicContact CE2-CD1 4.11Å; F40-Y145 HydrophobicContact CE2-CE1 4.36Å; F40-Y145 AromaticContact CZ-CD1 3.97Å; F40-Y145 HydrophobicContact CZ-CD1 3.97Å; F40-F147 HydrophobicContact CE1-CD1 4.33Å; F40-F147 HydrophobicContact CE1-CE1 4.09Å; F40-F147 HydrophobicContact CZ-CD1 4.35Å; F40-F147 AromaticContact CZ-CE1 3.66Å; F40-F147 HydrophobicContact CZ-CE1 3.66Å; F40-F147 HydrophobicContact CZ-CZ 4.46Å; F40-L165 HydrophobicContact CE2-CD1 4.39Å; F40-L165 HydrophobicContact CE2-CD2 4.14Å; F40-L165 HydrophobicContact CZ-CD1 4.42Å; F40-Y168 HydrophobicContact CB-CE2 3.94Å; F40-Y168 AromaticContact CD2-CD2 3.84Å; F40-Y168 HydrophobicContact CD2-CD2 3.84Å; F40-Y168 AromaticContact CD2-CE2 3.66Å; F40-Y168 HydrophobicContact CD2-CE2 3.66Å; F40-Y168 HydrophobicContact CE2-CD2 4.49Å; F40-Y168 HydrophobicContact CG-CE2 4.28Å
41	V	80.4	Confident	70.1	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-35.7	177.7	172.8	0	0	0	0	110.7	I38 D39 G45 Y60 L64 F81 F82 F85	I38-V41 PolarHBondContact O-N 3.36Å; I38-V41 VanDerWaalsContact O-N 3.09Å; D39-V41 PolarHBondContact O-N 3.36Å; V41-G45 PolarHBondContact O-N 3.26Å; V41-G45 VanDerWaalsContact O-N 3.12Å; V41-Y60 VanDerWaalsContact CG1-OH 3.3Å; V41-Y60 WeakPolarHBondContact CG1-OH 3.47Å; V41-Y60 PolarHBondContact O-OH 2.92Å; V41-L64 HydrophobicContact CG1-CD2 4.12Å; V41-F81 HydrophobicContact CG1-CE1 4.26Å; V41-F82 HydrophobicContact CB-CD2 4.26Å; V41-F82 HydrophobicContact CG2-CD2 3.5Å; V41-F82 VanDerWaalsContact CG2-CD2 3.5Å; V41-F82 HydrophobicContact CG2-CE2 3.85Å; V41-F85 HydrophobicContact CG1-CE2 4.48Å; V41-F85 HydrophobicContact CG2-CB 4.34Å; V41-F85 HydrophobicContact CG2-CD1 4.28Å; V41-F85 HydrophobicContact CG2-CD2 3.63Å; V41-F85 HydrophobicContact CG2-CE2 3.93Å; V41-F85 HydrophobicContact CG2-CG 3.82Å; V41-F85 HydrophobicContact CG2-CZ 4.34Å
42	L	81.3	Confident	71.9	Confident	78 Å²	78	56.2 Å²	56.2	41%	0.408	32%	0.316	S	S	.	.	H	α-helix	trans	-69.3	-40	173	-62.8	176.7	0	0	0	112.2	I38 D39 F40 G45 A46 F68	I38-L42 HydrophobicContact CG2-CD1 4.01Å; I38-L42 HydrophobicContact CG2-CG 4.29Å; I38-L42 PolarHBondContact O-N 3.02Å; I38-L42 VanDerWaalsContact O-N 3.14Å; D39-L42 CarbonylContact O-C 3.55Å; D39-L42 PolarHBondContact O-N 3.16Å; F40-L42 VanDerWaalsContact C-N 3.26Å; F40-L42 PolarHBondContact O-N 2.93Å; L42-G45 PolarHBondContact O-N 2.93Å; L42-A46 PolarHBondContact O-N 3.41Å; L42-F68 HydrophobicContact CD2-CZ 4.39Å
43	Y	82.7	Confident	73.5	Confident	126 Å²	126	57.6 Å²	57.6	49%	0.494	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-40.2	175.2	-77.4	-55.8	0	0	0	111.8	D39 F40 G45 A46 A47	D39-Y43 VanDerWaalsContact C-CD2 3.48Å; D39-Y43 HydrophobicContact CB-CD2 4.08Å; D39-Y43 HydrophobicContact CB-CE2 3.78Å; D39-Y43 WeakPolarHBondContact O-CB 3.26Å; D39-Y43 WeakPolarHBondContact O-CD2 3.09Å; D39-Y43 VanDerWaalsContact O-CG 3.3Å; D39-Y43 PolarHBondContact O-N 2.82Å; F40-Y43 PolarHBondContact O-N 3.36Å; Y43-G45 VanDerWaalsContact C-N 3.31Å; Y43-G45 PolarHBondContact O-N 2.99Å; Y43-A46 PolarHBondContact O-N 3.4Å; Y43-A47 WeakPolarHBondContact O-CB 3.32Å; Y43-A47 PolarHBondContact O-N 3.28Å
44	V	84.9	Confident	75.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-46.3	171.6	170	0	0	0	0	109.8	F40 A47 L48 Y60 F147 L149 I161 L165	F40-V44 HydrophobicContact CD1-CG2 4.25Å; F40-V44 HydrophobicContact CE1-CG2 3.95Å; F40-V44 HydrophobicContact CZ-CG2 4.1Å; F40-V44 VanDerWaalsContact O-CG2 3.31Å; F40-V44 WeakPolarHBondContact O-CG2 3.48Å; F40-V44 PolarHBondContact O-N 2.88Å; V44-A47 PolarHBondContact O-N 3.01Å; V44-L48 HydrophobicContact CG1-CD1 4.04Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 VanDerWaalsContact O-CG 3.32Å; V44-L48 WeakPolarHBondContact O-CG 3.36Å; V44-L48 PolarHBondContact O-N 2.95Å; V44-Y60 HydrophobicContact CG1-CE1 4.41Å; V44-Y60 HydrophobicContact CG1-CE2 4.38Å; V44-F147 HydrophobicContact CG2-CD1 4.13Å; V44-F147 HydrophobicContact CG2-CE1 3.96Å; V44-L149 HydrophobicContact CG1-CD2 4.44Å; V44-I161 HydrophobicContact CG1-CD1 4.07Å; V44-L165 HydrophobicContact CG2-CD1 4.12Å; V44-L165 HydrophobicContact CG2-CD2 4.01Å
45	G	84.4	Confident	77.4	Confident	14 Å²	14	57.2 Å²	57.2	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-45.8	175.5	0	0	0	0	0	113.4	V41 L42 Y43 L48 S49 Y60	V41-G45 PolarHBondContact O-N 3.26Å; V41-G45 VanDerWaalsContact O-N 3.12Å; L42-G45 PolarHBondContact O-N 2.93Å; Y43-G45 VanDerWaalsContact C-N 3.31Å; Y43-G45 PolarHBondContact O-N 2.99Å; G45-L48 PolarHBondContact O-N 3.5Å; G45-S49 WeakPolarHBondContact O-CB 3.47Å; G45-S49 PolarHBondContact O-N 2.75Å; G45-Y60 VanDerWaalsContact CA-CE1 3.42Å
46	A	84.4	Confident	79.2	Confident	49 Å²	49	52.8 Å²	52.8	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-40.8	177.3	0	0	0	0	0	112.1	L42 Y43 S49 Q50	L42-A46 PolarHBondContact O-N 3.41Å; Y43-A46 PolarHBondContact O-N 3.4Å; A46-S49 PolarHBondContact O-N 3.33Å; A46-Q50 WeakPolarHBondContact O-CG 3.38Å; A46-Q50 PolarHBondContact O-N 3.43Å; A46-Q50 VanDerWaalsContact O-N 3.17Å
47	A	85.7	Confident	80.8	Confident	5 Å²	5	52.1 Å²	52.1	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-40	178	0	0	0	0	0	112	Y43 V44 I161 K164	Y43-A47 WeakPolarHBondContact O-CB 3.32Å; Y43-A47 PolarHBondContact O-N 3.28Å; V44-A47 PolarHBondContact O-N 3.01Å; A47-I161 HydrophobicContact CB-CB 3.85Å; A47-I161 HydrophobicContact CB-CG2 3.76Å; A47-K164 HydrophobicContact CB-CB 4.19Å; A47-K164 HydrophobicContact CB-CD 3.97Å; A47-K164 PolarHBondContact O-NZ 2.84Å
48	L	85.7	Confident	81.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-47.3	172.8	-76.2	172.4	0	0	0	111.2	V44 G45 Q50 Q51 A57 Y60 L149 I161	V44-L48 HydrophobicContact CG1-CD1 4.04Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 VanDerWaalsContact O-CG 3.32Å; V44-L48 WeakPolarHBondContact O-CG 3.36Å; V44-L48 PolarHBondContact O-N 2.95Å; G45-L48 PolarHBondContact O-N 3.5Å; L48-Q50 PolarHBondContact O-N 3.35Å; L48-Q51 VanDerWaalsContact O-CB 3.31Å; L48-Q51 WeakPolarHBondContact O-CB 3.46Å; L48-Q51 PolarHBondContact O-N 2.83Å; L48-A57 HydrophobicContact CB-CB 3.89Å; L48-A57 WeakPolarHBondContact O-CB 3.45Å; L48-Y60 HydrophobicContact CD1-CD1 3.87Å; L48-Y60 HydrophobicContact CD1-CD2 4.09Å; L48-Y60 HydrophobicContact CD1-CE1 4.36Å; L48-Y60 HydrophobicContact CD1-CG 3.71Å; L48-L149 HydrophobicContact CD1-CD2 4.26Å; L48-I161 HydrophobicContact CB-CG2 4.46Å; L48-I161 HydrophobicContact CD2-CD1 4.42Å; L48-I161 HydrophobicContact CD2-CG2 3.68Å; L48-I161 HydrophobicContact CG-CD1 4.47Å; L48-I161 HydrophobicContact CG-CG2 3.89Å
49	S	84.4	Confident	82.6	Confident	68 Å²	68	48.5 Å²	48.5	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-31.6	-178.9	-176.1	0	0	0	0	113.4	G45 A46 Q51	G45-S49 WeakPolarHBondContact O-CB 3.47Å; G45-S49 PolarHBondContact O-N 2.75Å; A46-S49 PolarHBondContact O-N 3.33Å; S49-Q51 PolarHBondContact O-N 3.36Å
50	Q	83.5	Confident	83.2	Confident	127 Å²	127	45.3 Å²	45.3	59%	0.593	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.6	173.8	-73.1	174.4	3.8	0	0	114.2	A46 L48 N52	A46-Q50 WeakPolarHBondContact O-CG 3.38Å; A46-Q50 PolarHBondContact O-N 3.43Å; A46-Q50 VanDerWaalsContact O-N 3.17Å; L48-Q50 PolarHBondContact O-N 3.35Å; Q50-N52 PolarHBondContact O-N 3.4Å
51	Q	80.8	Confident	83.5	Confident	35 Å²	35	49 Å²	49	16%	0.164	29%	0.285	C	S	.	.	S	Bend	trans	-83	93.3	171.1	-63.6	177	-14.2	0	0	108.3	L48 S49 G53 S54 D157 G160	L48-Q51 VanDerWaalsContact O-CB 3.31Å; L48-Q51 WeakPolarHBondContact O-CB 3.46Å; L48-Q51 PolarHBondContact O-N 2.83Å; S49-Q51 PolarHBondContact O-N 3.36Å; Q51-G53 PolarHBondContact O-N 2.92Å; Q51-G53 VanDerWaalsContact O-N 3.11Å; Q51-S54 PolarHBondContact O-N 3Å; Q51-D157 PolarHBondContact NE2-O 3.07Å; Q51-G160 VanDerWaalsContact NE2-CA 3.31Å
52	N	70.9	Confident	83.7	Confident	161 Å²	161	51.2 Å²	51.2	86%	0.861	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	119	-177.7	-78.9	-13.8	0	0	0	111.9	Q50	Q50-N52 PolarHBondContact O-N 3.4Å
53	G	74	Confident	83.8	Confident	85 Å²	85	47.8 Å²	47.8	88%	0.876	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	11.7	172.6	0	0	0	0	0	116.1	Q51 L55	Q51-G53 PolarHBondContact O-N 2.92Å; Q51-G53 VanDerWaalsContact O-N 3.11Å; G53-L55 PolarHBondContact O-N 3.15Å
54	S	82.1	Confident	83.8	Confident	14 Å²	14	42.5 Å²	42.5	10%	0.098	26%	0.259	C	S	.	.			trans	-73.3	122.8	174.9	81.4	0	0	0	0	111	Q51 C56 A57 T58	Q51-S54 PolarHBondContact O-N 3Å; S54-C56 PolarHBondContact O-N 3.04Å; S54-A57 PolarHBondContact O-N 3.14Å; S54-A57 VanDerWaalsContact O-N 3.12Å; S54-A57 WeakPolarHBondContact OG-CB 3.45Å; S54-A57 PolarHBondContact OG-N 3.24Å; S54-A57 VanDerWaalsContact OG-N 3.17Å; S54-T58 PolarHBondContact O-N 2.66Å
55	L	86.9	Confident	83.7	Confident	101 Å²	101	50.2 Å²	50.2	53%	0.529	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-36.1	173.8	178.9	64.1	0	0	0	110.7	G53 A57 T58 L59 L152	G53-L55 PolarHBondContact O-N 3.15Å; L55-A57 PolarHBondContact O-N 2.92Å; L55-T58 PolarHBondContact O-N 3.19Å; L55-L59 HydrophobicContact CD1-CD1 4.28Å; L55-L59 HydrophobicContact CD1-CG 4.2Å; L55-L59 HydrophobicContact CD2-CD1 4.49Å; L55-L59 HydrophobicContact CG-CD1 3.92Å; L55-L59 HydrophobicContact CG-CG 4.27Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.32Å; L55-L59 PolarHBondContact O-N 2.93Å; L55-L152 HydrophobicContact CD2-CB 4.44Å; L55-L152 HydrophobicContact CD2-CD1 4.27Å
56	C	88.4	Confident	83.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-47.6	175	-179.4	0	0	0	0	112.5	S54 L59 Y60 C153 D157	S54-C56 PolarHBondContact O-N 3.04Å; C56-L59 PolarHBondContact O-N 3.17Å; C56-Y60 VanDerWaalsContact O-CB 3.25Å; C56-Y60 WeakPolarHBondContact O-CB 3.34Å; C56-Y60 PolarHBondContact O-N 3.27Å; C56-C153 HydrophobicContact CB-CB 3.78Å; C56-C153 WeakPolarHBondContact CB-SG 3.42Å; C56-C153 WeakPolarHBondContact SG-CB 3.35Å; C56-C153 CovalentContact SG-SG 2.03Å; C56-C153 PolarHBondContact SG-SG 3.09Å; C56-D157 HydrophobicContact CB-CB 4.17Å
57	A	87.1	Confident	83.3	Confident	8 Å²	8	49.9 Å²	49.9	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-44.7	-179.2	0	0	0	0	0	112	L48 S54 L55 L59 Y60 E61	L48-A57 HydrophobicContact CB-CB 3.89Å; L48-A57 WeakPolarHBondContact O-CB 3.45Å; S54-A57 PolarHBondContact O-N 3.14Å; S54-A57 VanDerWaalsContact O-N 3.12Å; S54-A57 WeakPolarHBondContact OG-CB 3.45Å; S54-A57 PolarHBondContact OG-N 3.24Å; S54-A57 VanDerWaalsContact OG-N 3.17Å; L55-A57 PolarHBondContact O-N 2.92Å; A57-L59 PolarHBondContact O-N 2.97Å; A57-Y60 PolarHBondContact O-N 3.08Å; A57-E61 WeakPolarHBondContact O-CB 3.5Å; A57-E61 PolarHBondContact O-N 3.19Å
58	T	86.8	Confident	83	Confident	71 Å²	71	54.5 Å²	54.5	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-47.9	177.7	-52.8	0	0	0	0	111.4	S54 L55 E61 Q62	S54-T58 PolarHBondContact O-N 2.66Å; L55-T58 PolarHBondContact O-N 3.19Å; T58-E61 PolarHBondContact O-N 3.41Å; T58-Q62 WeakPolarHBondContact O-CB 3.42Å; T58-Q62 WeakPolarHBondContact O-CG 3.25Å; T58-Q62 PolarHBondContact O-N 3.47Å; T58-Q62 PolarHBondContact O-OE1 2.64Å
59	L	86.9	Confident	82.3	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-45.6	178.6	-69.5	178	0	0	0	111.7	L55 C56 A57 Q62 S63 Y115 I121 P150 L152	L55-L59 HydrophobicContact CD1-CD1 4.28Å; L55-L59 HydrophobicContact CD1-CG 4.2Å; L55-L59 HydrophobicContact CD2-CD1 4.49Å; L55-L59 HydrophobicContact CG-CD1 3.92Å; L55-L59 HydrophobicContact CG-CG 4.27Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.32Å; L55-L59 PolarHBondContact O-N 2.93Å; C56-L59 PolarHBondContact O-N 3.17Å; A57-L59 PolarHBondContact O-N 2.97Å; L59-Q62 PolarHBondContact O-N 2.95Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.17Å; L59-S63 PolarHBondContact O-OG 3.03Å; L59-Y115 HydrophobicContact CD2-CD2 3.38Å; L59-Y115 HydrophobicContact CD2-CE2 3.68Å; L59-Y115 HydrophobicContact CD2-CG 4.32Å; L59-I121 HydrophobicContact CD1-CD1 4.05Å; L59-I121 HydrophobicContact CD2-CD1 3.46Å; L59-I121 VanDerWaalsContact CD2-CD1 3.46Å; L59-I121 HydrophobicContact CG-CD1 4.29Å; L59-P150 HydrophobicContact CB-CB 4.28Å; L59-P150 HydrophobicContact CB-CG 3.93Å; L59-P150 HydrophobicContact CD1-CB 4.31Å; L59-L152 HydrophobicContact CD1-CB 3.98Å; L59-L152 HydrophobicContact CD1-CD1 3.6Å; L59-L152 HydrophobicContact CD1-CG 4.41Å
60	Y	87.8	Confident	81.8	Confident	3 Å²	3	63 Å²	63	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-45.9	179	-175.1	-92.7	0	0	0	111.8	V41 V44 G45 L48 C56 A57 S63 L64 F81 F85 L149	V41-Y60 VanDerWaalsContact CG1-OH 3.3Å; V41-Y60 WeakPolarHBondContact CG1-OH 3.47Å; V41-Y60 PolarHBondContact O-OH 2.92Å; V44-Y60 HydrophobicContact CG1-CE1 4.41Å; V44-Y60 HydrophobicContact CG1-CE2 4.38Å; G45-Y60 VanDerWaalsContact CA-CE1 3.42Å; L48-Y60 HydrophobicContact CD1-CD1 3.87Å; L48-Y60 HydrophobicContact CD1-CD2 4.09Å; L48-Y60 HydrophobicContact CD1-CE1 4.36Å; L48-Y60 HydrophobicContact CD1-CG 3.71Å; C56-Y60 VanDerWaalsContact O-CB 3.25Å; C56-Y60 WeakPolarHBondContact O-CB 3.34Å; C56-Y60 PolarHBondContact O-N 3.27Å; A57-Y60 PolarHBondContact O-N 3.08Å; Y60-S63 PolarHBondContact O-N 3.25Å; Y60-L64 HydrophobicContact CD1-CD1 3.82Å; Y60-L64 HydrophobicContact CD1-CG 4.29Å; Y60-L64 HydrophobicContact CE1-CD1 3.38Å; Y60-L64 HydrophobicContact CE1-CG 4.01Å; Y60-L64 WeakPolarHBondContact O-CG 3.3Å; Y60-L64 PolarHBondContact O-N 2.89Å; Y60-F81 HydrophobicContact CD2-CZ 4.49Å; Y60-F81 HydrophobicContact CE2-CE1 4.24Å; Y60-F81 AromaticContact CE2-CZ 3.8Å; Y60-F81 HydrophobicContact CE2-CZ 3.8Å; Y60-F85 HydrophobicContact CE2-CZ 4.24Å; Y60-L149 HydrophobicContact CD2-CD2 4Å; Y60-L149 HydrophobicContact CE2-CD2 4Å
61	E	85.6	Confident	81.7	Confident	76 Å²	76	61 Å²	61	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-42.8	178.8	-170.7	-177.3	166.5	0	0	112	A57 T58 L64 R65	A57-E61 WeakPolarHBondContact O-CB 3.5Å; A57-E61 PolarHBondContact O-N 3.19Å; T58-E61 PolarHBondContact O-N 3.41Å; E61-L64 WeakPolarHBondContact O-CB 3.32Å; E61-L64 PolarHBondContact O-N 2.92Å; E61-R65 WeakPolarHBondContact O-CG 3.11Å; E61-R65 PolarHBondContact O-N 3.4Å; E61-R65 IonicContact OE1-CZ 2.8Å; E61-R65 IonicContact OE1-NE 3.98Å; E61-R65 IonicContact OE1-NH2 2.73Å; E61-R65 PolarHBondContact OE1-NH2 3.14Å
62	Q	83.6	Confident	81.7	Confident	48 Å²	48	66.9 Å²	66.9	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-44.4	176.5	-76.8	169.4	-42.6	0	0	112.1	T58 L59 L64 R65 E66	T58-Q62 WeakPolarHBondContact O-CB 3.42Å; T58-Q62 WeakPolarHBondContact O-CG 3.25Å; T58-Q62 PolarHBondContact O-N 3.47Å; T58-Q62 PolarHBondContact O-OE1 2.64Å; L59-Q62 PolarHBondContact O-N 2.95Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 3.46Å; Q62-R65 WeakPolarHBondContact O-CB 3.48Å; Q62-R65 PolarHBondContact O-N 2.99Å; Q62-R65 VanDerWaalsContact O-N 3.09Å; Q62-E66 PolarHBondContact O-N 3.04Å
63	S	83.3	Confident	82.2	Confident	5 Å²	5	62.6 Å²	62.6	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-38	176.7	-61.1	0	0	0	0	112	L59 Y60 E66 M67 S114	L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.17Å; L59-S63 PolarHBondContact O-OG 3.03Å; Y60-S63 PolarHBondContact O-N 3.25Å; S63-E66 PolarHBondContact O-N 3.39Å; S63-M67 WeakPolarHBondContact O-CE 3.48Å; S63-M67 WeakPolarHBondContact O-CG 3.3Å; S63-M67 PolarHBondContact O-N 2.89Å; S63-M67 VanDerWaalsContact O-N 3.09Å; S63-S114 PolarHBondContact OG-O 3.18Å
64	L	83.1	Confident	82.6	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-49.6	170.9	-77	-179.6	0	0	0	111.4	V41 Y60 E61 Q62 E66 M67 F68 F78 F81	V41-L64 HydrophobicContact CG1-CD2 4.12Å; Y60-L64 HydrophobicContact CD1-CD1 3.82Å; Y60-L64 HydrophobicContact CD1-CG 4.29Å; Y60-L64 HydrophobicContact CE1-CD1 3.38Å; Y60-L64 HydrophobicContact CE1-CG 4.01Å; Y60-L64 WeakPolarHBondContact O-CG 3.3Å; Y60-L64 PolarHBondContact O-N 2.89Å; E61-L64 WeakPolarHBondContact O-CB 3.32Å; E61-L64 PolarHBondContact O-N 2.92Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 3.46Å; L64-E66 VanDerWaalsContact C-N 3.26Å; L64-E66 PolarHBondContact O-N 3.04Å; L64-M67 HydrophobicContact CD2-CE 4.05Å; L64-M67 PolarHBondContact O-N 3.45Å; L64-M67 VanDerWaalsContact O-N 3.14Å; L64-F68 HydrophobicContact CB-CD2 4.25Å; L64-F68 HydrophobicContact CB-CE2 4.04Å; L64-F68 HydrophobicContact CD2-CE2 4.24Å; L64-F68 WeakPolarHBondContact O-CD2 3.17Å; L64-F68 PolarHBondContact O-N 3.39Å; L64-F78 HydrophobicContact CD2-CE2 4.09Å; L64-F81 HydrophobicContact CD2-CE1 4.15Å
65	R	82.7	Confident	82.5	Confident	162 Å²	162	64 Å²	64	61%	0.611	33%	0.331	S	S	*	.	H	α-helix	trans	-57.9	-37	177.8	-70.5	175.8	-174.6	-169.3	3	112.7	E61 Q62 F68	E61-R65 WeakPolarHBondContact O-CG 3.11Å; E61-R65 PolarHBondContact O-N 3.4Å; E61-R65 IonicContact OE1-CZ 2.8Å; E61-R65 IonicContact OE1-NE 3.98Å; E61-R65 IonicContact OE1-NH2 2.73Å; E61-R65 PolarHBondContact OE1-NH2 3.14Å; Q62-R65 WeakPolarHBondContact O-CB 3.48Å; Q62-R65 PolarHBondContact O-N 2.99Å; Q62-R65 VanDerWaalsContact O-N 3.09Å; R65-F68 PolarHBondContact O-N 3.47Å; R65-F68 VanDerWaalsContact O-O 3.09Å
66	E	79	Confident	82.2	Confident	48 Å²	48	60.4 Å²	60.4	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-69.3	-38.4	177.4	-73.8	-172.6	-165.3	0	0	112.6	Q62 S63 L64 K74 S114 Y115 D116	Q62-E66 PolarHBondContact O-N 3.04Å; S63-E66 PolarHBondContact O-N 3.39Å; L64-E66 VanDerWaalsContact C-N 3.26Å; L64-E66 PolarHBondContact O-N 3.04Å; E66-K74 VanDerWaalsContact O-CD 3.29Å; E66-K74 WeakPolarHBondContact O-CD 3.36Å; E66-K74 WeakPolarHBondContact O-CE 3.27Å; E66-K74 PolarHBondContact O-NZ 3.4Å; E66-S114 WeakPolarHBondContact OE2-CA 3.36Å; E66-S114 WeakPolarHBondContact OE2-CB 3.46Å; E66-S114 VanDerWaalsContact OE2-O 3.14Å; E66-S114 PolarHBondContact OE2-OG 3.14Å; E66-Y115 WeakPolarHBondContact OE1-CA 3.25Å; E66-D116 WeakPolarHBondContact OE1-CA 3.35Å; E66-D116 PolarHBondContact OE1-N 3.3Å
67	M	81.1	Confident	82	Confident	8 Å²	8	63 Å²	63	4%	0.039	33%	0.33	C	S	.	.	H	α-helix	trans	-73.4	-25.6	175.6	-71.8	-173.6	-72.9	0	0	113.1	S63 L64 G69 K74 L77 F78 F81 L113	S63-M67 WeakPolarHBondContact O-CE 3.48Å; S63-M67 WeakPolarHBondContact O-CG 3.3Å; S63-M67 PolarHBondContact O-N 2.89Å; S63-M67 VanDerWaalsContact O-N 3.09Å; L64-M67 HydrophobicContact CD2-CE 4.05Å; L64-M67 PolarHBondContact O-N 3.45Å; L64-M67 VanDerWaalsContact O-N 3.14Å; M67-G69 PolarHBondContact O-N 2.94Å; M67-K74 CarbonylContact O-C 3.45Å; M67-K74 WeakPolarHBondContact O-CB 3.33Å; M67-L77 HydrophobicContact CG-CD2 3.92Å; M67-L77 HydrophobicContact CG-CG 4.07Å; M67-L77 HydrophobicContact SD-CD2 4.45Å; M67-L77 HydrophobicContact SD-CG 4.09Å; M67-F78 HydrophobicContact CB-CB 4.14Å; M67-F78 HydrophobicContact CB-CD2 4.14Å; M67-F81 HydrophobicContact CE-CB 4.28Å; M67-F81 HydrophobicContact CE-CD1 3.56Å; M67-F81 HydrophobicContact CE-CD2 4.36Å; M67-F81 HydrophobicContact CE-CE1 3.89Å; M67-F81 HydrophobicContact CE-CG 3.81Å; M67-F81 HydrophobicContact CE-CZ 4.41Å; M67-F81 HydrophobicContact SD-CB 3.68Å; M67-F81 HydrophobicContact SD-CD1 4.1Å; M67-F81 HydrophobicContact SD-CG 3.87Å; M67-L113 HydrophobicContact CE-CD2 4.22Å
68	F	78.7	Confident	81.8	Confident	101 Å²	101	63.9 Å²	63.9	44%	0.443	33%	0.332	S	S	.	.			trans	-77.1	119.9	171.8	-74.4	-63.2	0	0	0	110.5	L42 L64 R65 F78	L42-F68 HydrophobicContact CD2-CZ 4.39Å; L64-F68 HydrophobicContact CB-CD2 4.25Å; L64-F68 HydrophobicContact CB-CE2 4.04Å; L64-F68 HydrophobicContact CD2-CE2 4.24Å; L64-F68 WeakPolarHBondContact O-CD2 3.17Å; L64-F68 PolarHBondContact O-N 3.39Å; R65-F68 PolarHBondContact O-N 3.47Å; R65-F68 VanDerWaalsContact O-O 3.09Å; F68-F78 HydrophobicContact CE1-CD2 4.16Å; F68-F78 HydrophobicContact CE1-CE1 4.23Å; F68-F78 AromaticContact CE1-CE2 3.68Å; F68-F78 HydrophobicContact CE1-CE2 3.68Å; F68-F78 AromaticContact CE1-CZ 3.72Å; F68-F78 HydrophobicContact CE1-CZ 3.72Å; F68-F78 AromaticContact CE2-CE2 3.98Å; F68-F78 HydrophobicContact CE2-CE2 3.98Å; F68-F78 HydrophobicContact CZ-CD2 4.14Å; F68-F78 AromaticContact CZ-CE2 3.35Å; F68-F78 HydrophobicContact CZ-CE2 3.35Å; F68-F78 AromaticContact CZ-CZ 3.58Å; F68-F78 HydrophobicContact CZ-CZ 3.58Å
69	G	72	Confident	81.7	Confident	40 Å²	40	67 Å²	67	41%	0.412	34%	0.339	S	S	.	.	S	Bend	trans	180	169.3	176.6	0	0	0	0	0	112.1	M67 D71	M67-G69 PolarHBondContact O-N 2.94Å; G69-D71 VanDerWaalsContact C-N 3.27Å; G69-D71 PolarHBondContact O-N 2.84Å
70	H	73.5	Confident	81.5	Confident	208 Å²	208	66.8 Å²	66.8	96%	0.963	34%	0.338	S	S	*	.	S	Bend	trans	-82	-0.2	-179.9	-66	-70.6	0	0	0	114.1
71	D	82.2	Confident	81.4	Confident	86 Å²	86	66.7 Å²	66.7	46%	0.46	34%	0.338	S	S	.	.	S	Bend	trans	-82.7	137.1	178.2	-172.7	2.1	0	0	0	110.9	G69 S73 K74 A75	G69-D71 VanDerWaalsContact C-N 3.27Å; G69-D71 PolarHBondContact O-N 2.84Å; D71-S73 PolarHBondContact O-N 2.87Å; D71-S73 PolarHBondContact OD1-N 3.45Å; D71-S73 VanDerWaalsContact OD1-N 3.17Å; D71-S73 PolarHBondContact OD2-OG 2.89Å; D71-K74 HydrophobicContact CB-CB 4.39Å; D71-K74 HydrophobicContact CB-CD 4.45Å; D71-K74 HydrophobicContact CB-CG 4.29Å; D71-K74 PolarHBondContact O-N 3.24Å; D71-A75 PolarHBondContact O-N 3.48Å
72	M	80.4	Confident	81.3	Confident	157 Å²	157	65.2 Å²	65.2	77%	0.773	33%	0.33	S	S	*	.	H	α-helix	trans	-56.7	-34.8	174.1	-70.9	-62.5	-65.3	0	0	112	A76	M72-A76 WeakPolarHBondContact O-CB 3.47Å; M72-A76 PolarHBondContact O-N 3.29Å
73	S	80.1	Confident	81.3	Confident	72 Å²	72	64 Å²	64	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-44.2	178.2	75	0	0	0	0	111.9	D71 A76 L77	D71-S73 PolarHBondContact O-N 2.87Å; D71-S73 PolarHBondContact OD1-N 3.45Å; D71-S73 VanDerWaalsContact OD1-N 3.17Å; D71-S73 PolarHBondContact OD2-OG 2.89Å; S73-A76 PolarHBondContact O-N 3.3Å; S73-L77 WeakPolarHBondContact O-CB 3.22Å; S73-L77 PolarHBondContact O-N 3.4Å
74	K	82.6	Confident	81.4	Confident	79 Å²	79	63.8 Å²	63.8	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-67.9	-44.4	177.5	-72.8	-173	170.5	-147.7	0	111.6	E66 M67 D71 A76 L77 F78	E66-K74 VanDerWaalsContact O-CD 3.29Å; E66-K74 WeakPolarHBondContact O-CD 3.36Å; E66-K74 WeakPolarHBondContact O-CE 3.27Å; E66-K74 PolarHBondContact O-NZ 3.4Å; M67-K74 CarbonylContact O-C 3.45Å; M67-K74 WeakPolarHBondContact O-CB 3.33Å; D71-K74 HydrophobicContact CB-CB 4.39Å; D71-K74 HydrophobicContact CB-CD 4.45Å; D71-K74 HydrophobicContact CB-CG 4.29Å; D71-K74 PolarHBondContact O-N 3.24Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-A76 PolarHBondContact O-N 3.45Å; K74-L77 PolarHBondContact O-N 3.48Å; K74-F78 WeakPolarHBondContact O-CB 3.38Å; K74-F78 PolarHBondContact O-N 2.85Å
75	A	80.3	Confident	81.5	Confident	48 Å²	48	63.3 Å²	63.3	40%	0.397	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-40.8	175.7	0	0	0	0	0	112.3	D71 K79	D71-A75 PolarHBondContact O-N 3.48Å; A75-K79 WeakPolarHBondContact O-CB 3.41Å; A75-K79 PolarHBondContact O-N 3.16Å
76	A	81.8	Confident	81.5	Confident	26 Å²	26	56.2 Å²	56.2	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-44.9	175.1	0	0	0	0	0	111.9	M72 S73 K74 K79 A80 P625 F626	M72-A76 WeakPolarHBondContact O-CB 3.47Å; M72-A76 PolarHBondContact O-N 3.29Å; S73-A76 PolarHBondContact O-N 3.3Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-A76 PolarHBondContact O-N 3.45Å; A76-K79 PolarHBondContact O-N 3.45Å; A76-A80 WeakPolarHBondContact O-CB 3.31Å; A76-A80 PolarHBondContact O-N 2.96Å; A76-P625 HydrophobicContact CB-CG 4.06Å; A76-F626 HydrophobicContact CB-CE2 3.98Å; A76-F626 HydrophobicContact CB-CZ 4.23Å; A76-F626 VanDerWaalsContact O-CZ 3.29Å; A76-F626 WeakPolarHBondContact O-CZ 3.39Å
77	L	83	Confident	81.4	Confident	56 Å²	56	54 Å²	54	29%	0.293	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-44.5	176.5	-176.3	63.9	0	0	0	111.6	M67 S73 K74 K79 A80 F81 N111 P625	M67-L77 HydrophobicContact CG-CD2 3.92Å; M67-L77 HydrophobicContact CG-CG 4.07Å; M67-L77 HydrophobicContact SD-CD2 4.45Å; M67-L77 HydrophobicContact SD-CG 4.09Å; S73-L77 WeakPolarHBondContact O-CB 3.22Å; S73-L77 PolarHBondContact O-N 3.4Å; K74-L77 PolarHBondContact O-N 3.48Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.05Å; L77-A80 PolarHBondContact O-N 3.22Å; L77-F81 WeakPolarHBondContact O-CB 3.24Å; L77-F81 PolarHBondContact O-N 3.35Å; L77-N111 HydrophobicContact CD1-CB 4.38Å; L77-P625 HydrophobicContact CD1-CB 4.34Å
78	F	84.2	Confident	81.1	Confident	25 Å²	25	53.6 Å²	53.6	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-46.2	175	-178.4	-103.2	0	0	0	111.3	I38 L64 M67 F68 K74 A80 F81 F82	I38-F78 HydrophobicContact CD1-CE1 4.47Å; L64-F78 HydrophobicContact CD2-CE2 4.09Å; M67-F78 HydrophobicContact CB-CB 4.14Å; M67-F78 HydrophobicContact CB-CD2 4.14Å; F68-F78 HydrophobicContact CE1-CD2 4.16Å; F68-F78 HydrophobicContact CE1-CE1 4.23Å; F68-F78 AromaticContact CE1-CE2 3.68Å; F68-F78 HydrophobicContact CE1-CE2 3.68Å; F68-F78 AromaticContact CE1-CZ 3.72Å; F68-F78 HydrophobicContact CE1-CZ 3.72Å; F68-F78 AromaticContact CE2-CE2 3.98Å; F68-F78 HydrophobicContact CE2-CE2 3.98Å; F68-F78 HydrophobicContact CZ-CD2 4.14Å; F68-F78 AromaticContact CZ-CE2 3.35Å; F68-F78 HydrophobicContact CZ-CE2 3.35Å; F68-F78 AromaticContact CZ-CZ 3.58Å; F68-F78 HydrophobicContact CZ-CZ 3.58Å; K74-F78 WeakPolarHBondContact O-CB 3.38Å; K74-F78 PolarHBondContact O-N 2.85Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 3.45Å; F78-F81 PolarHBondContact O-N 2.98Å; F78-F82 WeakPolarHBondContact O-CB 3.19Å; F78-F82 PolarHBondContact O-N 3.47Å
79	K	83.2	Confident	80.6	Confident	138 Å²	138	49.4 Å²	49.4	60%	0.6	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-37.2	178.7	-173.2	-179.4	-179.5	179.8	0	112.3	A75 A76 L77 S83 F626	A75-K79 WeakPolarHBondContact O-CB 3.41Å; A75-K79 PolarHBondContact O-N 3.16Å; A76-K79 PolarHBondContact O-N 3.45Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.05Å; K79-S83 WeakPolarHBondContact O-CB 3.16Å; K79-S83 PolarHBondContact O-N 3.35Å; K79-F626 HydrophobicContact CB-CE1 3.96Å; K79-F626 HydrophobicContact CB-CZ 3.9Å; K79-F626 HydrophobicContact CD-CE1 4.03Å; K79-F626 HydrophobicContact CD-CZ 3.91Å; K79-F626 HydrophobicContact CG-CE1 3.84Å; K79-F626 HydrophobicContact CG-CZ 4.05Å
80	A	82.8	Confident	80.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-38	176.4	0	0	0	0	0	112.5	A76 L77 F78 S83 S84 Q107 N111 P625 F626	A76-A80 WeakPolarHBondContact O-CB 3.31Å; A76-A80 PolarHBondContact O-N 2.96Å; L77-A80 PolarHBondContact O-N 3.22Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 3.45Å; A80-S83 PolarHBondContact O-N 2.96Å; A80-S83 PolarHBondContact O-OG 2.78Å; A80-S84 PolarHBondContact O-OG 2.84Å; A80-Q107 WeakPolarHBondContact O-CG 3.5Å; A80-N111 PolarHBondContact O-ND2 2.95Å; A80-P625 HydrophobicContact CB-CB 3.64Å; A80-P625 HydrophobicContact CB-CG 3.82Å; A80-F626 HydrophobicContact CB-CD1 3.89Å; A80-F626 HydrophobicContact CB-CE1 3.77Å; A80-F626 HydrophobicContact CB-CZ 4.39Å
81	F	85.7	Confident	79.3	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-48	172.5	177.2	-105.6	0	0	0	110.5	V41 Y60 L64 M67 L77 F78 S83 S84 F85 N111 L113 C148	V41-F81 HydrophobicContact CG1-CE1 4.26Å; Y60-F81 HydrophobicContact CD2-CZ 4.49Å; Y60-F81 HydrophobicContact CE2-CE1 4.24Å; Y60-F81 AromaticContact CE2-CZ 3.8Å; Y60-F81 HydrophobicContact CE2-CZ 3.8Å; L64-F81 HydrophobicContact CD2-CE1 4.15Å; M67-F81 HydrophobicContact CE-CB 4.28Å; M67-F81 HydrophobicContact CE-CD1 3.56Å; M67-F81 HydrophobicContact CE-CD2 4.36Å; M67-F81 HydrophobicContact CE-CE1 3.89Å; M67-F81 HydrophobicContact CE-CG 3.81Å; M67-F81 HydrophobicContact CE-CZ 4.41Å; M67-F81 HydrophobicContact SD-CB 3.68Å; M67-F81 HydrophobicContact SD-CD1 4.1Å; M67-F81 HydrophobicContact SD-CG 3.87Å; L77-F81 WeakPolarHBondContact O-CB 3.24Å; L77-F81 PolarHBondContact O-N 3.35Å; F78-F81 PolarHBondContact O-N 2.98Å; F81-S83 VanDerWaalsContact C-N 3.32Å; F81-S83 PolarHBondContact O-N 2.95Å; F81-S84 VanDerWaalsContact O-CB 3.22Å; F81-S84 WeakPolarHBondContact O-CB 3.39Å; F81-S84 PolarHBondContact O-N 2.94Å; F81-S84 PolarHBondContact O-OG 2.77Å; F81-F85 AromaticContact CD1-CE2 3.93Å; F81-F85 HydrophobicContact CD1-CE2 3.93Å; F81-F85 AromaticContact CE1-CE2 3.51Å; F81-F85 HydrophobicContact CE1-CE2 3.51Å; F81-F85 AromaticContact CE1-CZ 3.86Å; F81-F85 HydrophobicContact CE1-CZ 3.86Å; F81-F85 HydrophobicContact CE2-CE2 4.15Å; F81-F85 HydrophobicContact CE2-CZ 4.41Å; F81-F85 HydrophobicContact CG-CE2 4.44Å; F81-F85 AromaticContact CZ-CE2 3.64Å; F81-F85 HydrophobicContact CZ-CE2 3.64Å; F81-F85 AromaticContact CZ-CZ 3.7Å; F81-F85 HydrophobicContact CZ-CZ 3.7Å; F81-F85 WeakPolarHBondContact O-CD2 3.27Å; F81-N111 PolarHBondContact N-ND2 2.97Å; F81-L113 HydrophobicContact CD2-CD2 3.87Å; F81-L113 HydrophobicContact CE2-CD1 4.4Å; F81-L113 HydrophobicContact CE2-CD2 3.73Å; F81-L113 HydrophobicContact CZ-CD2 4.46Å; F81-C148 HydrophobicContact CD2-CB 4.29Å; F81-C148 HydrophobicContact CE2-CB 3.84Å; F81-C148 HydrophobicContact CZ-CB 4.49Å; F81-C148 WeakPolarHBondContact CZ-O 3.45Å
82	F	84.1	Confident	77.7	Confident	46 Å²	46	39.4 Å²	39.4	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-43.8	174.8	177.8	-101.8	0	0	0	112.4	V36 N37 I38 V41 F78 S84 F85	V36-F82 HydrophobicContact CG1-CE2 4.04Å; V36-F82 HydrophobicContact CG1-CZ 4.27Å; V36-F82 WeakPolarHBondContact O-CZ 3.11Å; N37-F82 WeakPolarHBondContact O-CE2 3.41Å; I38-F82 VanDerWaalsContact CA-CE2 3.42Å; I38-F82 HydrophobicContact CB-CE2 4.33Å; I38-F82 HydrophobicContact CG1-CD2 4.24Å; I38-F82 HydrophobicContact CG1-CE2 3.9Å; I38-F82 HydrophobicContact CG1-CZ 4.02Å; V41-F82 HydrophobicContact CB-CD2 4.26Å; V41-F82 HydrophobicContact CG2-CD2 3.5Å; V41-F82 VanDerWaalsContact CG2-CD2 3.5Å; V41-F82 HydrophobicContact CG2-CE2 3.85Å; F78-F82 WeakPolarHBondContact O-CB 3.19Å; F78-F82 PolarHBondContact O-N 3.47Å; F82-S84 PolarHBondContact O-N 3.46Å; F82-F85 PolarHBondContact O-N 3.31Å
83	S	83.2	Confident	76.1	Confident	22 Å²	22	35.1 Å²	35.1	15%	0.154	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-4.7	179.2	76.5	0	0	0	0	113.8	K79 A80 F81 R104	K79-S83 WeakPolarHBondContact O-CB 3.16Å; K79-S83 PolarHBondContact O-N 3.35Å; A80-S83 PolarHBondContact O-N 2.96Å; A80-S83 PolarHBondContact O-OG 2.78Å; F81-S83 VanDerWaalsContact C-N 3.32Å; F81-S83 PolarHBondContact O-N 2.95Å; S83-R104 WeakPolarHBondContact O-CD 3.45Å; S83-R104 VanDerWaalsContact O-CZ 3.27Å; S83-R104 PolarHBondContact O-NE 3.15Å; S83-R104 PolarHBondContact O-NH1 3.11Å
84	S	85.3	Confident	74.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.6	172.8	-52.8	0	0	0	0	112.3	A80 F81 F82 R104 Q107 C108 Y125	A80-S84 PolarHBondContact O-OG 2.84Å; F81-S84 VanDerWaalsContact O-CB 3.22Å; F81-S84 WeakPolarHBondContact O-CB 3.39Å; F81-S84 PolarHBondContact O-N 2.94Å; F81-S84 PolarHBondContact O-OG 2.77Å; F82-S84 PolarHBondContact O-N 3.46Å; S84-R104 WeakPolarHBondContact O-CB 3.33Å; S84-Q107 WeakPolarHBondContact OG-CG 3.48Å; S84-C108 WeakPolarHBondContact OG-CA 3.04Å; S84-C108 PolarHBondContact OG-N 2.88Å; S84-Y125 WeakPolarHBondContact O-CE2 3.29Å; S84-Y125 PolarHBondContact O-OH 3.48Å
85	F	86.2	Confident	73.5	Confident	7 Å²	7	29.5 Å²	29.5	3%	0.031	16%	0.161	C	C	.	.			trans	-79.1	142.8	-179.1	-66.8	-97.3	0	0	0	111.3	V36 F40 V41 Y60 F81 F82 G146 F147 C148	V36-F85 HydrophobicContact CG1-CB 4Å; F40-F85 HydrophobicContact CD1-CB 4.34Å; F40-F85 HydrophobicContact CD1-CD1 4.28Å; F40-F85 HydrophobicContact CE1-CB 4.37Å; F40-F85 AromaticContact CE1-CD1 3.96Å; F40-F85 HydrophobicContact CE1-CD1 3.96Å; V41-F85 HydrophobicContact CG1-CE2 4.48Å; V41-F85 HydrophobicContact CG2-CB 4.34Å; V41-F85 HydrophobicContact CG2-CD1 4.28Å; V41-F85 HydrophobicContact CG2-CD2 3.63Å; V41-F85 HydrophobicContact CG2-CE2 3.93Å; V41-F85 HydrophobicContact CG2-CG 3.82Å; V41-F85 HydrophobicContact CG2-CZ 4.34Å; Y60-F85 HydrophobicContact CE2-CZ 4.24Å; F81-F85 AromaticContact CD1-CE2 3.93Å; F81-F85 HydrophobicContact CD1-CE2 3.93Å; F81-F85 AromaticContact CE1-CE2 3.51Å; F81-F85 HydrophobicContact CE1-CE2 3.51Å; F81-F85 AromaticContact CE1-CZ 3.86Å; F81-F85 HydrophobicContact CE1-CZ 3.86Å; F81-F85 HydrophobicContact CE2-CE2 4.15Å; F81-F85 HydrophobicContact CE2-CZ 4.41Å; F81-F85 HydrophobicContact CG-CE2 4.44Å; F81-F85 AromaticContact CZ-CE2 3.64Å; F81-F85 HydrophobicContact CZ-CE2 3.64Å; F81-F85 AromaticContact CZ-CZ 3.7Å; F81-F85 HydrophobicContact CZ-CZ 3.7Å; F81-F85 WeakPolarHBondContact O-CD2 3.27Å; F82-F85 PolarHBondContact O-N 3.31Å; F85-G146 WeakPolarHBondContact CA-O 3.38Å; F85-F147 HydrophobicContact CD1-CD1 4.27Å; F85-F147 HydrophobicContact CE1-CB 4.32Å; F85-F147 HydrophobicContact CE1-CD1 4.27Å; F85-C148 HydrophobicContact CE2-CB 3.99Å; F85-C148 HydrophobicContact CZ-CB 4.11Å; F85-C148 VanDerWaalsContact CZ-O 3.26Å; F85-C148 WeakPolarHBondContact CZ-O 3.18Å
86	V	82.4	Confident	72.5	Confident	12 Å²	12	28.4 Å²	28.4	7%	0.073	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.4	178.7	70.8	0	0	0	0	110.9	T88 Y125 G146	V86-T88 HydrophobicContact CG2-CG2 3.62Å; V86-Y125 WeakPolarHBondContact CG1-OH 3.49Å; V86-G146 PolarHBondContact N-O 3.2Å; V86-G146 PolarHBondContact O-N 3.11Å
87	V	77.2	Confident	71.7	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.2	168.2	-176.1	0	0	0	0	107.9	L34 V36 F40 L143 Y145	L34-V87 HydrophobicContact CB-CB 4.49Å; L34-V87 HydrophobicContact CD1-CG1 4.06Å; L34-V87 PolarHBondContact N-O 3.17Å; L34-V87 VanDerWaalsContact N-O 3.17Å; V36-V87 HydrophobicContact CG2-CG2 4.2Å; F40-V87 HydrophobicContact CD2-CG2 4.39Å; F40-V87 HydrophobicContact CE1-CG2 4.24Å; F40-V87 HydrophobicContact CE2-CG2 3.86Å; F40-V87 HydrophobicContact CZ-CG2 3.76Å; V87-L143 HydrophobicContact CG1-CD2 4.31Å; V87-Y145 HydrophobicContact CB-CD1 4.47Å; V87-Y145 HydrophobicContact CG1-CD1 4.01Å; V87-Y145 HydrophobicContact CG1-CE1 3.91Å; V87-Y145 HydrophobicContact CG2-CD1 3.71Å; V87-Y145 HydrophobicContact CG2-CE1 4.14Å
88	T	74.2	Confident	71.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	165.2	179.9	71.9	0	0	0	0	110.5	V86 L143 T144	V86-T88 HydrophobicContact CG2-CG2 3.62Å; T88-L143 WeakPolarHBondContact O-CA 3.41Å; T88-L143 WeakPolarHBondContact O-CD2 3.25Å; T88-T144 PolarHBondContact N-O 3.33Å; T88-T144 PolarHBondContact O-N 3.14Å
89	S	68.8	Low	70.8	Confident	13 Å²	13	26.6 Å²	26.6	9%	0.091	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	144.8	167.3	-165.1	0	0	0	0	109.9	Q91 D92 G142	S89-Q91 PolarHBondContact O-N 2.88Å; S89-Q91 VanDerWaalsContact OG-CB 3.22Å; S89-Q91 WeakPolarHBondContact OG-CB 3.27Å; S89-Q91 WeakPolarHBondContact OG-CG 3.44Å; S89-Q91 PolarHBondContact OG-N 3.01Å; S89-D92 WeakPolarHBondContact CB-OD2 3.49Å; S89-D92 PolarHBondContact N-OD2 3.17Å; S89-D92 PolarHBondContact O-N 3.34Å; S89-G142 CarbonylContact C-O 3.6Å; S89-G142 WeakPolarHBondContact CA-O 3.46Å; S89-G142 PolarHBondContact OG-O 2.86Å
90	A	60.4	Low	70.6	Confident	11 Å²	11	21.4 Å²	21.4	9%	0.091	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-65.3	-19.4	165.8	0	0	0	0	0	111.2	D92 N93 W131 G142	A90-D92 VanDerWaalsContact C-N 3.29Å; A90-D92 PolarHBondContact O-N 3.44Å; A90-N93 WeakPolarHBondContact O-CB 3.45Å; A90-W131 HydrophobicContact CB-CB 3.78Å; A90-G142 VanDerWaalsContact N-C 3.32Å; A90-G142 PolarHBondContact N-O 2.85Å
91	Q	56.8	Low	70.5	Confident	73 Å²	73	21.5 Å²	21.5	34%	0.341	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-63.6	-32.9	172.8	-65.9	-177.2	-19.4	0	0	112.5	S89 N93 L139 A140	S89-Q91 PolarHBondContact O-N 2.88Å; S89-Q91 VanDerWaalsContact OG-CB 3.22Å; S89-Q91 WeakPolarHBondContact OG-CB 3.27Å; S89-Q91 WeakPolarHBondContact OG-CG 3.44Å; S89-Q91 PolarHBondContact OG-N 3.01Å; Q91-N93 PolarHBondContact O-N 3.25Å; Q91-N93 VanDerWaalsContact O-N 3.12Å; Q91-L139 HydrophobicContact CB-CD2 3.57Å; Q91-L139 HydrophobicContact CG-CB 4.17Å; Q91-L139 HydrophobicContact CG-CD2 4.02Å; Q91-L139 WeakPolarHBondContact O-CD2 3.19Å; Q91-A140 WeakPolarHBondContact CG-O 3.43Å
92	D	50.1	Low	70.4	Confident	40 Å²	40	22.1 Å²	22.1	21%	0.214	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-80.7	11.9	-173.6	-57.2	-40.7	0	0	0	113.4	S32 S89 A90 V94 E97	S32-D92 WeakPolarHBondContact CB-OD2 3.15Å; S89-D92 WeakPolarHBondContact CB-OD2 3.49Å; S89-D92 PolarHBondContact N-OD2 3.17Å; S89-D92 PolarHBondContact O-N 3.34Å; A90-D92 VanDerWaalsContact C-N 3.29Å; A90-D92 PolarHBondContact O-N 3.44Å; D92-V94 PolarHBondContact O-N 3.47Å; D92-E97 HydrophobicContact CB-CB 4.47Å; D92-E97 HydrophobicContact CB-CG 3.6Å; D92-E97 WeakPolarHBondContact O-CB 3.31Å; D92-E97 WeakPolarHBondContact O-CG 3.4Å
93	N	45.5	Very low	70.5	Confident	68 Å²	68	20.1 Å²	20.1	36%	0.364	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	34.3	-177.5	-147.6	11	0	0	0	114	A90 Q91 H98 W101	A90-N93 WeakPolarHBondContact O-CB 3.45Å; Q91-N93 PolarHBondContact O-N 3.25Å; Q91-N93 VanDerWaalsContact O-N 3.12Å; N93-H98 PolarHBondContact OD1-CE1 3.43Å; N93-H98 PolarHBondContact OD1-NE2 3.21Å; N93-W101 WeakPolarHBondContact OD1-CH2 3.35Å; N93-W101 WeakPolarHBondContact OD1-CZ3 3.32Å
94	V	54	Low	70.6	Confident	11 Å²	11	21.8 Å²	21.8	7%	0.067	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-33	-159.5	152.2	0	0	0	0	114.3	D92 P479 N480 I481 A482	D92-V94 PolarHBondContact O-N 3.47Å; V94-P479 WeakPolarHBondContact CB-O 3.28Å; V94-P479 WeakPolarHBondContact CG1-O 3.43Å; V94-P479 VanDerWaalsContact CG2-C 3.45Å; V94-P479 HydrophobicContact CG2-CB 4.08Å; V94-P479 WeakPolarHBondContact CG2-O 3.49Å; V94-N480 HydrophobicContact CG2-CB 4.49Å; V94-I481 HydrophobicContact CG1-CB 3.92Å; V94-I481 HydrophobicContact CG1-CD1 3.96Å; V94-I481 HydrophobicContact CG1-CG1 3.99Å; V94-A482 WeakPolarHBondContact O-CB 3.39Å; V94-A482 PolarHBondContact O-N 2.84Å
95	T	53.9	Low	70.8	Confident	22 Å²	22	22 Å²	22	14%	0.135	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	155.8	-39	179.5	37.4	0	0	0	0	108.4	H98 W99 L469 A482	T95-H98 WeakPolarHBondContact O-CB 3.3Å; T95-H98 PolarHBondContact O-N 2.84Å; T95-W99 PolarHBondContact O-N 3.4Å; T95-L469 HydrophobicContact CG2-CD2 4.27Å; T95-A482 HydrophobicContact CG2-CB 4.09Å
96	L	59.2	Low	70.8	Confident	25 Å²	25	22.5 Å²	22.5	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-43.7	-175.5	-66.1	157.6	0	0	0	113	R292 P472 V474	L96-R292 PolarHBondContact O-NH2 3.1Å; L96-R292 VanDerWaalsContact O-NH2 3.16Å; L96-P472 HydrophobicContact CD1-CB 3.91Å; L96-P472 HydrophobicContact CD1-CG 3.47Å; L96-P472 VanDerWaalsContact CD1-CG 3.47Å; L96-P472 HydrophobicContact CD2-CB 4.17Å; L96-P472 HydrophobicContact CD2-CG 3.57Å; L96-P472 HydrophobicContact CG-CB 4.42Å; L96-P472 HydrophobicContact CG-CG 4.05Å; L96-V474 HydrophobicContact CD1-CG2 4.25Å
97	E	65.1	Low	71.1	Confident	9 Å²	9	22 Å²	22	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-76.9	-27.2	177.5	-66.6	-56.9	124.8	0	0	111.9	D92 W99 K100 W101	D92-E97 HydrophobicContact CB-CB 4.47Å; D92-E97 HydrophobicContact CB-CG 3.6Å; D92-E97 WeakPolarHBondContact O-CB 3.31Å; D92-E97 WeakPolarHBondContact O-CG 3.4Å; E97-W99 VanDerWaalsContact C-N 3.28Å; E97-W99 PolarHBondContact O-N 3.37Å; E97-K100 CarbonylContact O-C 3.4Å; E97-K100 PolarHBondContact O-N 3.37Å; E97-K100 VanDerWaalsContact O-N 3.09Å; E97-K100 WeakPolarHBondContact OE1-CD 3.47Å; E97-K100 WeakPolarHBondContact OE1-CE 3.36Å; E97-K100 IonicContact OE1-NZ 3.34Å; E97-K100 PolarHBondContact OE1-NZ 2.69Å; E97-K100 WeakPolarHBondContact OE2-CD 3.39Å; E97-K100 IonicContact OE2-NZ 3.51Å; E97-W101 HydrophobicContact CB-CZ2 4.25Å; E97-W101 VanDerWaalsContact O-CG 3.28Å; E97-W101 PolarHBondContact O-N 3.4Å
98	H	72.2	Confident	71.6	Confident	34 Å²	34	21.9 Å²	21.9	16%	0.157	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-42.1	170.5	-77.7	-57.7	0	0	0	111.6	N93 T95 K100 W101 M102	N93-H98 PolarHBondContact OD1-CE1 3.43Å; N93-H98 PolarHBondContact OD1-NE2 3.21Å; T95-H98 WeakPolarHBondContact O-CB 3.3Å; T95-H98 PolarHBondContact O-N 2.84Å; H98-K100 VanDerWaalsContact C-N 3.33Å; H98-K100 PolarHBondContact O-N 2.9Å; H98-W101 AromaticContact CE1-CZ3 3.55Å; H98-W101 AromaticContact ND1-CE3 3.38Å; H98-W101 AromaticContact ND1-CZ3 3.36Å; H98-W101 WeakPolarHBondContact ND1-CZ3 3.48Å; H98-W101 PolarHBondContact O-N 3.4Å; H98-M102 VanDerWaalsContact O-CG 3.23Å; H98-M102 WeakPolarHBondContact O-CG 3.4Å; H98-M102 PolarHBondContact O-N 3.24Å
99	W	77.4	Confident	72.3	Confident	25 Å²	25	22.1 Å²	22.1	10%	0.095	11%	0.111	C	C	.	.	H	α-helix	trans	-62.4	-41.1	175.3	-64.8	116.9	0	0	0	112	T95 E97 M102 G103 F280 Q282	T95-W99 PolarHBondContact O-N 3.4Å; E97-W99 VanDerWaalsContact C-N 3.28Å; E97-W99 PolarHBondContact O-N 3.37Å; W99-M102 HydrophobicContact CE3-CE 4.17Å; W99-M102 HydrophobicContact CE3-SD 3.65Å; W99-M102 HydrophobicContact CZ3-CE 3.85Å; W99-M102 HydrophobicContact CZ3-SD 3.68Å; W99-M102 WeakPolarHBondContact O-CB 3.13Å; W99-M102 PolarHBondContact O-N 2.92Å; W99-G103 PolarHBondContact O-N 3.17Å; W99-G103 VanDerWaalsContact O-N 3.11Å; W99-F280 AromaticContact CH2-CD1 3.26Å; W99-F280 HydrophobicContact CH2-CD1 3.26Å; W99-F280 AromaticContact CH2-CE1 3.56Å; W99-F280 HydrophobicContact CH2-CE1 3.56Å; W99-F280 HydrophobicContact CH2-CG 4.4Å; W99-F280 HydrophobicContact CZ2-CD1 4.01Å; W99-F280 HydrophobicContact CZ2-CE1 4.2Å; W99-F280 AromaticContact CZ3-CD1 3.77Å; W99-F280 HydrophobicContact CZ3-CD1 3.77Å; W99-F280 HydrophobicContact CZ3-CE1 4.42Å; W99-Q282 HydrophobicContact CB-CB 3.75Å; W99-Q282 HydrophobicContact CD2-CB 4.39Å; W99-Q282 HydrophobicContact CG-CB 3.94Å
100	K	78.7	Confident	72.9	Confident	29 Å²	29	23.5 Å²	23.5	13%	0.126	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-47.4	174.7	-69.5	-174.5	-172.6	158.6	0	110.7	E97 H98 M102 G103 R104 D289	E97-K100 CarbonylContact O-C 3.4Å; E97-K100 PolarHBondContact O-N 3.37Å; E97-K100 VanDerWaalsContact O-N 3.09Å; E97-K100 WeakPolarHBondContact OE1-CD 3.47Å; E97-K100 WeakPolarHBondContact OE1-CE 3.36Å; E97-K100 IonicContact OE1-NZ 3.34Å; E97-K100 PolarHBondContact OE1-NZ 2.69Å; E97-K100 WeakPolarHBondContact OE2-CD 3.39Å; E97-K100 IonicContact OE2-NZ 3.51Å; H98-K100 VanDerWaalsContact C-N 3.33Å; H98-K100 PolarHBondContact O-N 2.9Å; K100-M102 VanDerWaalsContact C-N 3.3Å; K100-M102 PolarHBondContact O-N 3.48Å; K100-G103 CarbonylContact O-C 3.37Å; K100-G103 WeakPolarHBondContact O-CA 3.28Å; K100-G103 PolarHBondContact O-N 2.65Å; K100-R104 VanDerWaalsContact O-CG 3.28Å; K100-R104 WeakPolarHBondContact O-CG 3.49Å; K100-R104 PolarHBondContact O-N 3.34Å; K100-D289 IonicContact NZ-OD1 2.57Å
101	W	79.8	Confident	73.9	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-38.3	176.8	-62.9	-21.4	0	0	0	113	N93 E97 H98 G103 R104 D105 T144 W379	N93-W101 WeakPolarHBondContact OD1-CH2 3.35Å; N93-W101 WeakPolarHBondContact OD1-CZ3 3.32Å; E97-W101 HydrophobicContact CB-CZ2 4.25Å; E97-W101 VanDerWaalsContact O-CG 3.28Å; E97-W101 PolarHBondContact O-N 3.4Å; H98-W101 AromaticContact CE1-CZ3 3.55Å; H98-W101 AromaticContact ND1-CE3 3.38Å; H98-W101 AromaticContact ND1-CZ3 3.36Å; H98-W101 WeakPolarHBondContact ND1-CZ3 3.48Å; H98-W101 PolarHBondContact O-N 3.4Å; W101-G103 VanDerWaalsContact C-N 3.3Å; W101-G103 PolarHBondContact O-N 2.75Å; W101-R104 PolarHBondContact O-N 3.02Å; W101-D105 VanDerWaalsContact O-CB 3.27Å; W101-D105 WeakPolarHBondContact O-CB 3.44Å; W101-D105 PolarHBondContact O-N 3.42Å; W101-T144 HydrophobicContact CH2-CG2 4Å; W101-T144 HydrophobicContact CZ2-CG2 3.7Å; W101-W379 HydrophobicContact CB-CZ2 4.31Å
102	M	84.2	Confident	74.6	Confident	14 Å²	14	26.7 Å²	26.7	7%	0.069	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-41.6	172.6	-71	175.5	60.4	0	0	111.7	H98 W99 K100 L106 W379 V382	H98-M102 VanDerWaalsContact O-CG 3.23Å; H98-M102 WeakPolarHBondContact O-CG 3.4Å; H98-M102 PolarHBondContact O-N 3.24Å; W99-M102 HydrophobicContact CE3-CE 4.17Å; W99-M102 HydrophobicContact CE3-SD 3.65Å; W99-M102 HydrophobicContact CZ3-CE 3.85Å; W99-M102 HydrophobicContact CZ3-SD 3.68Å; W99-M102 WeakPolarHBondContact O-CB 3.13Å; W99-M102 PolarHBondContact O-N 2.92Å; K100-M102 VanDerWaalsContact C-N 3.3Å; K100-M102 PolarHBondContact O-N 3.48Å; M102-L106 WeakPolarHBondContact O-CB 3.33Å; M102-L106 PolarHBondContact O-N 3.01Å; M102-W379 HydrophobicContact CB-CB 4.48Å; M102-W379 HydrophobicContact CG-CB 3.66Å; M102-W379 VanDerWaalsContact CG-CD1 3.47Å; M102-W379 HydrophobicContact CG-CG 3.7Å; M102-V382 HydrophobicContact CE-CB 4.17Å; M102-V382 HydrophobicContact CE-CG1 3.69Å; M102-V382 HydrophobicContact CE-CG2 3.44Å; M102-V382 VanDerWaalsContact CE-CG2 3.44Å; M102-V382 HydrophobicContact SD-CG1 3.84Å; M102-V382 HydrophobicContact SD-CG2 4.26Å
103	G	85.1	Confident	75.5	Confident	5 Å²	5	25.1 Å²	25.1	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-40.9	173.3	0	0	0	0	0	112.9	W99 K100 W101 L106 Q107 S283	W99-G103 PolarHBondContact O-N 3.17Å; W99-G103 VanDerWaalsContact O-N 3.11Å; K100-G103 CarbonylContact O-C 3.37Å; K100-G103 WeakPolarHBondContact O-CA 3.28Å; K100-G103 PolarHBondContact O-N 2.65Å; W101-G103 VanDerWaalsContact C-N 3.3Å; W101-G103 PolarHBondContact O-N 2.75Å; G103-L106 PolarHBondContact O-N 3.21Å; G103-Q107 WeakPolarHBondContact O-CB 3.48Å; G103-Q107 PolarHBondContact O-N 3.41Å; G103-S283 WeakPolarHBondContact CA-O 3.48Å; G103-S283 PolarHBondContact N-O 3.38Å
104	R	87	Confident	76.4	Confident	56 Å²	56	23.5 Å²	23.5	21%	0.211	11%	0.109	C	C	.	.	H	α-helix	trans	-66.9	-40.5	176.9	-60.6	-61	169.3	-144.8	-4.6	112.6	S83 S84 K100 W101 Q107 C108 Y125	S83-R104 WeakPolarHBondContact O-CD 3.45Å; S83-R104 VanDerWaalsContact O-CZ 3.27Å; S83-R104 PolarHBondContact O-NE 3.15Å; S83-R104 PolarHBondContact O-NH1 3.11Å; S84-R104 WeakPolarHBondContact O-CB 3.33Å; K100-R104 VanDerWaalsContact O-CG 3.28Å; K100-R104 WeakPolarHBondContact O-CG 3.49Å; K100-R104 PolarHBondContact O-N 3.34Å; W101-R104 PolarHBondContact O-N 3.02Å; R104-Q107 PolarHBondContact O-N 2.69Å; R104-C108 WeakPolarHBondContact O-CB 3.38Å; R104-C108 PolarHBondContact O-N 3.42Å; R104-Y125 HydrophobicContact CB-CE1 4.4Å; R104-Y125 HydrophobicContact CB-CE2 4.05Å; R104-Y125 VanDerWaalsContact CB-OH 3.31Å; R104-Y125 WeakPolarHBondContact CB-OH 3.48Å
105	D	88.5	Confident	76.7	Confident	6 Å²	6	26.6 Å²	26.6	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-51.5	172	174.1	52.6	0	0	0	110.6	W101 Q107 C108 K109 Y125 W379	W101-D105 VanDerWaalsContact O-CB 3.27Å; W101-D105 WeakPolarHBondContact O-CB 3.44Å; W101-D105 PolarHBondContact O-N 3.42Å; D105-Q107 PolarHBondContact O-N 2.81Å; D105-C108 WeakPolarHBondContact O-CB 3.36Å; D105-C108 PolarHBondContact O-N 2.87Å; D105-K109 VanDerWaalsContact O-CG 3.27Å; D105-K109 WeakPolarHBondContact O-CG 3.46Å; D105-K109 PolarHBondContact O-N 2.97Å; D105-K109 WeakPolarHBondContact OD1-CE 3.45Å; D105-K109 IonicContact OD1-NZ 3.74Å; D105-K109 PolarHBondContact OD1-NZ 3.39Å; D105-K109 IonicContact OD2-NZ 3.62Å; D105-K109 PolarHBondContact OD2-NZ 2.86Å; D105-Y125 HydrophobicContact CB-CD1 3.64Å; D105-Y125 HydrophobicContact CB-CE1 4.25Å; D105-Y125 HydrophobicContact CB-CG 3.98Å; D105-Y125 WeakPolarHBondContact OD1-CB 3.16Å; D105-W379 HydrophobicContact CB-CD2 4.44Å; D105-W379 HydrophobicContact CB-CE3 3.75Å; D105-W379 HydrophobicContact CB-CZ3 4.12Å; D105-W379 VanDerWaalsContact CG-CE3 3.48Å
106	L	87.3	Confident	76.8	Confident	17 Å²	17	29.8 Å²	29.8	9%	0.089	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-45.7	178.6	-175.6	58.2	0	0	0	111.7	M102 G103 C108 K109 M110 V284 F376 A618 L627	M102-L106 WeakPolarHBondContact O-CB 3.33Å; M102-L106 PolarHBondContact O-N 3.01Å; G103-L106 PolarHBondContact O-N 3.21Å; L106-C108 VanDerWaalsContact C-N 3.32Å; L106-C108 PolarHBondContact O-N 3.32Å; L106-K109 PolarHBondContact O-N 3.41Å; L106-M110 HydrophobicContact CD1-SD 4.47Å; L106-M110 HydrophobicContact CG-SD 4.14Å; L106-M110 WeakPolarHBondContact O-CB 3.32Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.19Å; L106-M110 PolarHBondContact O-N 2.91Å; L106-V284 HydrophobicContact CD2-CB 4.38Å; L106-V284 HydrophobicContact CD2-CG1 3.7Å; L106-F376 HydrophobicContact CD1-CE2 3.5Å; L106-F376 VanDerWaalsContact CD1-CE2 3.5Å; L106-F376 HydrophobicContact CD1-CZ 3.42Å; L106-F376 VanDerWaalsContact CD1-CZ 3.42Å; L106-A618 HydrophobicContact CD2-CB 3.47Å; L106-A618 VanDerWaalsContact CD2-CB 3.47Å; L106-A618 HydrophobicContact CG-CB 4.38Å; L106-L627 HydrophobicContact CD2-CD2 4.06Å; L106-L627 HydrophobicContact CG-CD2 4.26Å
107	Q	87.1	Confident	76.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-41.4	176.5	-177	59.7	85.7	0	0	111.8	A80 S84 G103 R104 D105 N111 P625 L627	A80-Q107 WeakPolarHBondContact O-CG 3.5Å; S84-Q107 WeakPolarHBondContact OG-CG 3.48Å; G103-Q107 WeakPolarHBondContact O-CB 3.48Å; G103-Q107 PolarHBondContact O-N 3.41Å; R104-Q107 PolarHBondContact O-N 2.69Å; D105-Q107 PolarHBondContact O-N 2.81Å; Q107-N111 PolarHBondContact NE2-ND2 2.78Å; Q107-N111 PolarHBondContact O-N 2.9Å; Q107-N111 PolarHBondContact O-ND2 3.37Å; Q107-P625 PolarHBondContact NE2-O 3.45Å; Q107-L627 HydrophobicContact CB-CD1 4.45Å; Q107-L627 HydrophobicContact CB-CG 4.45Å; Q107-L627 VanDerWaalsContact OE1-N 3.09Å
108	C	89.1	Confident	76.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-48.5	175.7	177.6	0	0	0	0	111.5	S84 R104 D105 L106 M110 N111 S123 Q124 Y125 C148	S84-C108 WeakPolarHBondContact OG-CA 3.04Å; S84-C108 PolarHBondContact OG-N 2.88Å; R104-C108 WeakPolarHBondContact O-CB 3.38Å; R104-C108 PolarHBondContact O-N 3.42Å; D105-C108 WeakPolarHBondContact O-CB 3.36Å; D105-C108 PolarHBondContact O-N 2.87Å; L106-C108 VanDerWaalsContact C-N 3.32Å; L106-C108 PolarHBondContact O-N 3.32Å; C108-M110 VanDerWaalsContact C-N 3.33Å; C108-M110 PolarHBondContact O-N 3.21Å; C108-N111 CarbonylContact O-C 3.51Å; C108-N111 PolarHBondContact O-N 3.2Å; C108-N111 VanDerWaalsContact O-N 3.12Å; C108-S123 PolarHBondContact O-OG 3.27Å; C108-Q124 PolarHBondContact SG-O 3.03Å; C108-Y125 HydrophobicContact CB-CD2 3.78Å; C108-Y125 HydrophobicContact CB-CG 4.37Å; C108-C148 WeakPolarHBondContact CA-SG 3.36Å; C108-C148 HydrophobicContact CB-CB 3.73Å; C108-C148 WeakPolarHBondContact CB-SG 3.35Å; C108-C148 WeakPolarHBondContact SG-CA 3.34Å; C108-C148 WeakPolarHBondContact SG-CB 3.18Å; C108-C148 CovalentContact SG-SG 2.03Å; C108-C148 PolarHBondContact SG-SG 3.03Å
109	K	87.1	Confident	76.6	Confident	5 Å²	5	42.5 Å²	42.5	2%	0.022	22%	0.218	C	C	.	.	H	α-helix	trans	-67.8	-31.1	-177.2	-67.8	173.4	169.7	161.5	0	113.4	D105 L106 N111 S123 S183 P184 F376 P377	D105-K109 VanDerWaalsContact O-CG 3.27Å; D105-K109 WeakPolarHBondContact O-CG 3.46Å; D105-K109 PolarHBondContact O-N 2.97Å; D105-K109 WeakPolarHBondContact OD1-CE 3.45Å; D105-K109 IonicContact OD1-NZ 3.74Å; D105-K109 PolarHBondContact OD1-NZ 3.39Å; D105-K109 IonicContact OD2-NZ 3.62Å; D105-K109 PolarHBondContact OD2-NZ 2.86Å; L106-K109 PolarHBondContact O-N 3.41Å; K109-N111 VanDerWaalsContact C-N 3.29Å; K109-S123 WeakPolarHBondContact CA-OG 3.42Å; K109-S183 PolarHBondContact NZ-OG 2.79Å; K109-P184 VanDerWaalsContact CE-O 3.27Å; K109-P184 WeakPolarHBondContact CE-O 3.37Å; K109-F376 HydrophobicContact CB-CD1 4.07Å; K109-F376 HydrophobicContact CB-CD2 4.4Å; K109-F376 HydrophobicContact CB-CE1 4.03Å; K109-F376 HydrophobicContact CB-CE2 4.36Å; K109-F376 HydrophobicContact CB-CG 4.24Å; K109-F376 HydrophobicContact CB-CZ 4.17Å; K109-F376 HydrophobicContact CD-CB 4.18Å; K109-F376 HydrophobicContact CD-CD2 3.61Å; K109-F376 HydrophobicContact CD-CE2 4.06Å; K109-F376 HydrophobicContact CD-CG 3.87Å; K109-P377 PolarHBondContact NZ-O 3.33Å
110	M	82.5	Confident	76.5	Confident	42 Å²	42	50 Å²	50	21%	0.207	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-34.2	172.4	-74.8	174.3	54.5	0	0	111.8	L106 C108 R112 A618 K619 L627	L106-M110 HydrophobicContact CD1-SD 4.47Å; L106-M110 HydrophobicContact CG-SD 4.14Å; L106-M110 WeakPolarHBondContact O-CB 3.32Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.19Å; L106-M110 PolarHBondContact O-N 2.91Å; C108-M110 VanDerWaalsContact C-N 3.33Å; C108-M110 PolarHBondContact O-N 3.21Å; M110-R112 PolarHBondContact O-N 3.49Å; M110-R112 VanDerWaalsContact O-N 3.15Å; M110-A618 VanDerWaalsContact CE-O 3.26Å; M110-A618 WeakPolarHBondContact CE-O 3.47Å; M110-K619 HydrophobicContact CG-CG 4.19Å; M110-K619 HydrophobicContact SD-CG 4.21Å; M110-L627 HydrophobicContact SD-CD2 4.14Å
111	N	80.8	Confident	76.6	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.027	25%	0.246	C	C	.	.	S	Bend	trans	-83.3	88	177.7	-65.7	-33.6	0	0	0	110.5	L77 A80 F81 Q107 C108 K109 L113 S123	L77-N111 HydrophobicContact CD1-CB 4.38Å; A80-N111 PolarHBondContact O-ND2 2.95Å; F81-N111 PolarHBondContact N-ND2 2.97Å; Q107-N111 PolarHBondContact NE2-ND2 2.78Å; Q107-N111 PolarHBondContact O-N 2.9Å; Q107-N111 PolarHBondContact O-ND2 3.37Å; C108-N111 CarbonylContact O-C 3.51Å; C108-N111 PolarHBondContact O-N 3.2Å; C108-N111 VanDerWaalsContact O-N 3.12Å; K109-N111 VanDerWaalsContact C-N 3.29Å; N111-L113 PolarHBondContact O-N 3.16Å; N111-S123 PolarHBondContact O-OG 3.2Å
112	R	72.9	Confident	76.9	Confident	145 Å²	145	51.4 Å²	51.4	55%	0.547	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-68.8	124.1	168.6	-65.3	-172.3	-177.6	-179.4	2.3	109.3	M110 R120	M110-R112 PolarHBondContact O-N 3.49Å; M110-R112 VanDerWaalsContact O-N 3.15Å; R112-R120 HydrophobicContact CB-CB 4.23Å
113	L	68.9	Low	77.2	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.7	178.1	-63.4	178.7	0	0	0	108.9	M67 F81 N111 R120 I121 P150	M67-L113 HydrophobicContact CE-CD2 4.22Å; F81-L113 HydrophobicContact CD2-CD2 3.87Å; F81-L113 HydrophobicContact CE2-CD1 4.4Å; F81-L113 HydrophobicContact CE2-CD2 3.73Å; F81-L113 HydrophobicContact CZ-CD2 4.46Å; N111-L113 PolarHBondContact O-N 3.16Å; L113-R120 CarbonylContact O-C 3.6Å; L113-R120 WeakPolarHBondContact O-CA 3.44Å; L113-I121 PolarHBondContact N-O 2.88Å; L113-I121 PolarHBondContact O-N 3.04Å; L113-P150 HydrophobicContact CD1-CB 4.38Å; L113-P150 HydrophobicContact CD1-CG 3.79Å
114	S	63.6	Low	77.5	Confident	35 Å²	35	51.4 Å²	51.4	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145	177.1	178.5	0	0	0	0	109.6	S63 E66 D116 S119	S63-S114 PolarHBondContact OG-O 3.18Å; E66-S114 WeakPolarHBondContact OE2-CA 3.36Å; E66-S114 WeakPolarHBondContact OE2-CB 3.46Å; E66-S114 VanDerWaalsContact OE2-O 3.14Å; E66-S114 PolarHBondContact OE2-OG 3.14Å; S114-D116 PolarHBondContact OG-O 2.94Å; S114-S119 CarbonylContact C-O 3.15Å; S114-S119 WeakPolarHBondContact CA-O 3.27Å
115	Y	59.5	Low	77.7	Confident	75 Å²	75	48.7 Å²	48.7	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	115.2	177.7	173.6	-79	0	0	0	107.2	L59 E66 S119 I121	L59-Y115 HydrophobicContact CD2-CD2 3.38Å; L59-Y115 HydrophobicContact CD2-CE2 3.68Å; L59-Y115 HydrophobicContact CD2-CG 4.32Å; E66-Y115 WeakPolarHBondContact OE1-CA 3.25Å; Y115-S119 WeakPolarHBondContact CB-OG 3.41Å; Y115-S119 WeakPolarHBondContact CD1-OG 3.44Å; Y115-S119 PolarHBondContact N-O 3.2Å; Y115-S119 WeakPolarHBondContact O-CB 3.46Å; Y115-S119 PolarHBondContact O-N 2.63Å; Y115-S119 VanDerWaalsContact O-N 3.15Å; Y115-S119 VanDerWaalsContact O-O 3.09Å; Y115-S119 PolarHBondContact O-OG 3.4Å; Y115-I121 HydrophobicContact CD2-CD1 4.38Å; Y115-I121 HydrophobicContact CG-CD1 4.21Å
116	D	56.4	Low	77.9	Confident	90 Å²	90	48.4 Å²	48.4	48%	0.481	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	167.3	-165.9	-68.4	-34.9	0	0	0	111.5	E66 S114 S118	E66-D116 WeakPolarHBondContact OE1-CA 3.35Å; E66-D116 PolarHBondContact OE1-N 3.3Å; S114-D116 PolarHBondContact OG-O 2.94Å; D116-S118 PolarHBondContact O-N 3.25Å
117	N	60.5	Low	77.9	Confident	178 Å²	178	47.8 Å²	47.8	95%	0.952	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	2.4	-177.3	-82.8	-15.7	0	0	0	115.5
118	S	59.6	Low	77.9	Confident	111 Å²	111	48.1 Å²	48.1	78%	0.776	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.9	-29.7	-171.4	64.9	0	0	0	0	117	D116	D116-S118 PolarHBondContact O-N 3.25Å
119	S	71.7	Confident	77.5	Confident	45 Å²	45	48.7 Å²	48.7	32%	0.315	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.3	-171.2	81.9	0	0	0	0	111.8	S114 Y115	S114-S119 CarbonylContact C-O 3.15Å; S114-S119 WeakPolarHBondContact CA-O 3.27Å; Y115-S119 WeakPolarHBondContact CB-OG 3.41Å; Y115-S119 WeakPolarHBondContact CD1-OG 3.44Å; Y115-S119 PolarHBondContact N-O 3.2Å; Y115-S119 WeakPolarHBondContact O-CB 3.46Å; Y115-S119 PolarHBondContact O-N 2.63Å; Y115-S119 VanDerWaalsContact O-N 3.15Å; Y115-S119 VanDerWaalsContact O-O 3.09Å; Y115-S119 PolarHBondContact O-OG 3.4Å
120	R	75.9	Confident	77.2	Confident	183 Å²	183	48.9 Å²	48.9	69%	0.691	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.9	176.2	-70.1	-174	-176.6	178.6	1.3	109.6	R112 L113	R112-R120 HydrophobicContact CB-CB 4.23Å; L113-R120 CarbonylContact O-C 3.6Å; L113-R120 WeakPolarHBondContact O-CA 3.44Å
121	I	81.4	Confident	76.9	Confident	24 Å²	24	49.2 Å²	49.2	12%	0.123	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129.6	175.8	-59.4	173.2	0	0	0	108.2	L59 L113 Y115 P150	L59-I121 HydrophobicContact CD1-CD1 4.05Å; L59-I121 HydrophobicContact CD2-CD1 3.46Å; L59-I121 VanDerWaalsContact CD2-CD1 3.46Å; L59-I121 HydrophobicContact CG-CD1 4.29Å; L113-I121 PolarHBondContact N-O 2.88Å; L113-I121 PolarHBondContact O-N 3.04Å; Y115-I121 HydrophobicContact CD2-CD1 4.38Å; Y115-I121 HydrophobicContact CG-CD1 4.21Å; I121-P150 HydrophobicContact CG2-CB 4.46Å
122	P	85.8	Confident	76.6	Confident	36 Å²	36	49.7 Å²	49.7	23%	0.234	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-65.7	140.7	174.6	23.8	-26.8	0	0	0	110	S151 Y186	P122-S151 WeakPolarHBondContact CG-OG 3.27Å; P122-S151 WeakPolarHBondContact O-CB 3.45Å; P122-S151 PolarHBondContact O-N 3.41Å; P122-S151 PolarHBondContact O-OG 3.27Å; P122-Y186 HydrophobicContact CB-CD1 3.82Å; P122-Y186 HydrophobicContact CB-CG 4.34Å; P122-Y186 HydrophobicContact CG-CD1 3.63Å; P122-Y186 HydrophobicContact CG-CE1 4.2Å; P122-Y186 HydrophobicContact CG-CG 4.11Å
123	S	89.8	Confident	76.4	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	164.6	171.5	52.8	0	0	0	0	110.7	C108 K109 N111 L149 G185	C108-S123 PolarHBondContact O-OG 3.27Å; K109-S123 WeakPolarHBondContact CA-OG 3.42Å; N111-S123 PolarHBondContact O-OG 3.2Å; S123-L149 CarbonylContact C-O 3.54Å; S123-L149 VanDerWaalsContact CA-O 3.29Å; S123-L149 WeakPolarHBondContact CA-O 3.4Å; S123-G185 WeakPolarHBondContact O-CA 3.49Å; S123-G185 PolarHBondContact O-N 3.16Å
124	Q	91.3	Very high	76	Confident	18 Å²	18	51.2 Å²	51.2	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.6	166.9	65.4	179.3	-37.4	0	0	108.1	C108 L149 P150 S151 C153 S183	C108-Q124 PolarHBondContact SG-O 3.03Å; Q124-L149 HydrophobicContact CG-CB 4.37Å; Q124-L149 PolarHBondContact N-O 3.44Å; Q124-L149 PolarHBondContact O-N 3.35Å; Q124-P150 PolarHBondContact NE2-O 2.98Å; Q124-S151 PolarHBondContact NE2-O 2.91Å; Q124-C153 PolarHBondContact NE2-O 2.89Å; Q124-S183 WeakPolarHBondContact CA-O 2.95Å
125	Y	92.2	Very high	75.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.8	174.3	-167	-111.4	0	0	0	109.7	S84 V86 R104 D105 C108 T127 F147 C182 S183 W379	S84-Y125 WeakPolarHBondContact O-CE2 3.29Å; S84-Y125 PolarHBondContact O-OH 3.48Å; V86-Y125 WeakPolarHBondContact CG1-OH 3.49Å; R104-Y125 HydrophobicContact CB-CE1 4.4Å; R104-Y125 HydrophobicContact CB-CE2 4.05Å; R104-Y125 VanDerWaalsContact CB-OH 3.31Å; R104-Y125 WeakPolarHBondContact CB-OH 3.48Å; D105-Y125 HydrophobicContact CB-CD1 3.64Å; D105-Y125 HydrophobicContact CB-CE1 4.25Å; D105-Y125 HydrophobicContact CB-CG 3.98Å; D105-Y125 WeakPolarHBondContact OD1-CB 3.16Å; C108-Y125 HydrophobicContact CB-CD2 3.78Å; C108-Y125 HydrophobicContact CB-CG 4.37Å; Y125-T127 HydrophobicContact CD1-CG2 4.48Å; Y125-T127 HydrophobicContact CE1-CG2 3.88Å; Y125-F147 WeakPolarHBondContact CA-O 3.1Å; Y125-F147 WeakPolarHBondContact CD2-O 3.43Å; Y125-C182 CarbonylContact O-C 3.58Å; Y125-C182 WeakPolarHBondContact O-CA 3.47Å; Y125-S183 PolarHBondContact N-O 3.27Å; Y125-S183 PolarHBondContact O-N 3.35Å; Y125-W379 HydrophobicContact CD1-CE3 4.42Å; Y125-W379 AromaticContact CD1-CH2 3.69Å; Y125-W379 HydrophobicContact CD1-CH2 3.69Å; Y125-W379 AromaticContact CD1-CZ3 3.54Å; Y125-W379 HydrophobicContact CD1-CZ3 3.54Å; Y125-W379 AromaticContact CE1-CH2 3.97Å; Y125-W379 HydrophobicContact CE1-CH2 3.97Å; Y125-W379 HydrophobicContact CE1-CZ3 4.23Å
126	C	91.5	Very high	75.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.6	-178.7	-64.6	0	0	0	0	110.7	G146 F147 I158 L180 M181 C182	C126-G146 CarbonylContact O-C 3.59Å; C126-G146 WeakPolarHBondContact O-CA 3.45Å; C126-F147 PolarHBondContact N-O 3.43Å; C126-F147 PolarHBondContact O-N 2.95Å; C126-I158 HydrophobicContact CB-CD1 3.87Å; C126-I158 WeakPolarHBondContact SG-CD1 3.43Å; C126-L180 HydrophobicContact CB-CD1 4.35Å; C126-M181 CarbonylContact C-O 3.57Å; C126-M181 VanDerWaalsContact CA-O 3.23Å; C126-M181 WeakPolarHBondContact CA-O 3.4Å; C126-C182 HydrophobicContact CB-CB 4.18Å; C126-C182 WeakPolarHBondContact CB-SG 3.41Å; C126-C182 WeakPolarHBondContact SG-CB 3.39Å; C126-C182 CovalentContact SG-SG 2.05Å; C126-C182 PolarHBondContact SG-SG 2.91Å
127	T	87.5	Confident	75.3	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.1	169.5	50.7	0	0	0	0	110	Y125 Y145 L180 M181 W379	Y125-T127 HydrophobicContact CD1-CG2 4.48Å; Y125-T127 HydrophobicContact CE1-CG2 3.88Å; T127-Y145 CarbonylContact C-O 3.56Å; T127-Y145 WeakPolarHBondContact CA-O 3.45Å; T127-L180 WeakPolarHBondContact O-CA 3.15Å; T127-M181 PolarHBondContact N-O 2.92Å; T127-M181 PolarHBondContact O-N 3.22Å; T127-W379 HydrophobicContact CG2-CH2 3.59Å; T127-W379 HydrophobicContact CG2-CZ2 3.85Å
128	Y	86.6	Confident	74.9	Confident	8 Å²	8	57.4 Å²	57.4	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.9	173.8	-174.6	-92.4	0	0	0	109.2	V130 T144 Y145 E159 V162 Q178 E179 L180	Y128-V130 HydrophobicContact CD1-CG2 3.78Å; Y128-V130 HydrophobicContact CE1-CG2 3.11Å; Y128-T144 WeakPolarHBondContact O-CA 3.41Å; Y128-Y145 HydrophobicContact CD1-CD2 4.24Å; Y128-Y145 PolarHBondContact N-O 3.38Å; Y128-Y145 PolarHBondContact O-N 3.23Å; Y128-E159 HydrophobicContact CE2-CG 4.35Å; Y128-V162 HydrophobicContact CD1-CB 4.17Å; Y128-V162 HydrophobicContact CD1-CG1 3.65Å; Y128-V162 HydrophobicContact CD1-CG2 3.43Å; Y128-V162 VanDerWaalsContact CD1-CG2 3.43Å; Y128-V162 HydrophobicContact CD2-CG2 3.95Å; Y128-V162 HydrophobicContact CE1-CB 3.86Å; Y128-V162 HydrophobicContact CE1-CG1 3.05Å; Y128-V162 HydrophobicContact CE1-CG2 3.6Å; Y128-V162 HydrophobicContact CE2-CG2 4.1Å; Y128-V162 HydrophobicContact CG-CG2 3.61Å; Y128-Q178 WeakPolarHBondContact OH-CG 3.18Å; Y128-Q178 PolarHBondContact OH-OE1 3.41Å; Y128-E179 WeakPolarHBondContact CA-O 3.32Å; Y128-L180 HydrophobicContact CD2-CB 4.01Å; Y128-L180 HydrophobicContact CD2-CD1 4.11Å
129	S	81.7	Confident	74.5	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.1	-178.1	-66.8	0	0	0	0	110.1	W131 L143 T144 Q178 E179	S129-W131 VanDerWaalsContact CB-CZ3 3.47Å; S129-W131 WeakPolarHBondContact O-CZ3 3.45Å; S129-L143 CarbonylContact C-O 3.46Å; S129-L143 WeakPolarHBondContact CA-O 3.49Å; S129-T144 WeakPolarHBondContact OG-CB 3.41Å; S129-T144 WeakPolarHBondContact OG-CG2 3.48Å; S129-T144 PolarHBondContact OG-OG1 2.87Å; S129-Q178 WeakPolarHBondContact O-CA 3.48Å; S129-E179 PolarHBondContact N-O 3.48Å; S129-E179 PolarHBondContact O-N 3.26Å
130	V	80.2	Confident	74	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.8	171.5	-169.5	0	0	0	0	108.6	Y128 G142 L143 L173 P176 K177 Q178	Y128-V130 HydrophobicContact CD1-CG2 3.78Å; Y128-V130 HydrophobicContact CE1-CG2 3.11Å; V130-G142 CarbonylContact O-C 3.42Å; V130-G142 WeakPolarHBondContact O-CA 3.41Å; V130-L143 PolarHBondContact N-O 3.38Å; V130-L143 PolarHBondContact O-N 3.16Å; V130-L173 HydrophobicContact CG1-CD1 3.52Å; V130-P176 HydrophobicContact CG1-CB 3.95Å; V130-K177 WeakPolarHBondContact CA-O 3.48Å; V130-Q178 HydrophobicContact CG1-CG 4.37Å; V130-Q178 HydrophobicContact CG2-CG 4.38Å
131	W	77.1	Confident	73.5	Confident	50 Å²	50	46.7 Å²	46.7	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.2	-179.9	70.6	94.2	0	0	0	112.9	A90 S129 A140 D141 K177 E179	A90-W131 HydrophobicContact CB-CB 3.78Å; S129-W131 VanDerWaalsContact CB-CZ3 3.47Å; S129-W131 WeakPolarHBondContact O-CZ3 3.45Å; W131-A140 HydrophobicContact CB-CB 3.86Å; W131-A140 HydrophobicContact CG-CB 3.97Å; W131-D141 WeakPolarHBondContact CA-O 3.16Å; W131-K177 HydrophobicContact CD2-CB 4.12Å; W131-K177 HydrophobicContact CZ2-CB 4.03Å; W131-K177 HydrophobicContact CZ2-CD 4.47Å; W131-K177 PolarHBondContact N-O 3.27Å; W131-K177 PolarHBondContact O-N 2.85Å; W131-E179 HydrophobicContact CH2-CB 3.56Å; W131-E179 WeakPolarHBondContact CH2-OE2 3.49Å; W131-E179 HydrophobicContact CZ3-CB 3.61Å
132	E	74.4	Confident	73.1	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.065	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.4	169.6	-177.3	167.9	-139	0	0	110.2	K134 A140 D141 L173 S174 S175	E132-K134 PolarHBondContact O-N 2.93Å; E132-A140 WeakPolarHBondContact O-CA 3.02Å; E132-D141 PolarHBondContact N-O 3.1Å; E132-D141 PolarHBondContact O-N 3.34Å; E132-D141 VanDerWaalsContact O-N 3.13Å; E132-L173 HydrophobicContact CB-CB 4.23Å; E132-L173 HydrophobicContact CB-CD2 3.51Å; E132-L173 HydrophobicContact CB-CG 4.28Å; E132-L173 VanDerWaalsContact OE2-CA 3.24Å; E132-L173 WeakPolarHBondContact OE2-CA 3.36Å; E132-S174 VanDerWaalsContact CD-N 3.33Å; E132-S174 WeakPolarHBondContact OE1-CA 3.32Å; E132-S174 VanDerWaalsContact OE1-CB 3.24Å; E132-S174 WeakPolarHBondContact OE1-CB 3.48Å; E132-S174 PolarHBondContact OE1-N 3.2Å; E132-S174 VanDerWaalsContact OE1-N 3.14Å; E132-S174 PolarHBondContact OE2-N 3.14Å; E132-S175 PolarHBondContact OE1-N 3.27Å; E132-S175 PolarHBondContact OE1-OG 3.45Å
133	N	68.3	Low	72.7	Confident	80 Å²	80	43.9 Å²	43.9	43%	0.428	23%	0.228	S	C	.	.			trans	-83.1	104.2	170.6	-65.1	2.8	0	0	0	107.7	W135 A140	N133-W135 VanDerWaalsContact C-N 3.32Å; N133-A140 WeakPolarHBondContact OD1-CB 3.4Å
134	K	61.5	Low	72.3	Confident	105 Å²	105	43.9 Å²	43.9	46%	0.457	23%	0.228	S	C	.	.	S	Bend	trans	-68	-33.4	175.3	-72	177.9	177.9	161.4	0	111.9	E132 D141	E132-K134 PolarHBondContact O-N 2.93Å; K134-D141 IonicContact NZ-OD2 2.83Å; K134-D141 PolarHBondContact NZ-OD2 2.76Å
135	W	56.2	Low	72	Confident	152 Å²	152	43.3 Å²	43.3	58%	0.576	22%	0.224	S	C	*	.	S	Bend	trans	-142.9	160.6	175.5	-59.4	-82.5	0	0	0	111.6	N133 D137 E138	N133-W135 VanDerWaalsContact C-N 3.32Å; W135-D137 VanDerWaalsContact C-N 3.29Å; W135-D137 PolarHBondContact O-N 3.2Å; W135-E138 HydrophobicContact CB-CB 4.01Å; W135-E138 HydrophobicContact CB-CG 4.08Å; W135-E138 HydrophobicContact CD2-CG 4.36Å; W135-E138 HydrophobicContact CE3-CB 3.9Å; W135-E138 HydrophobicContact CE3-CG 3.82Å; W135-E138 VanDerWaalsContact CZ3-CD 3.46Å; W135-E138 WeakPolarHBondContact CZ3-OE2 3.43Å; W135-E138 PolarHBondContact O-N 3.04Å
136	A	55.3	Low	71.8	Confident	104 Å²	104	43.3 Å²	43.3	86%	0.86	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29	-174	0	0	0	0	0	114.4
137	D	52.9	Low	71.7	Confident	140 Å²	140	43.3 Å²	43.3	75%	0.749	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.7	0.7	-179	-73.6	-34.4	0	0	0	113.1	W135	W135-D137 VanDerWaalsContact C-N 3.29Å; W135-D137 PolarHBondContact O-N 3.2Å
138	E	52	Low	71.8	Confident	112 Å²	112	43.1 Å²	43.1	52%	0.523	22%	0.224	S	C	.	.	S	Bend	trans	-97.2	154.1	178.9	-74.2	-158.3	-165.4	0	0	113.3	W135 A140	W135-E138 HydrophobicContact CB-CB 4.01Å; W135-E138 HydrophobicContact CB-CG 4.08Å; W135-E138 HydrophobicContact CD2-CG 4.36Å; W135-E138 HydrophobicContact CE3-CB 3.9Å; W135-E138 HydrophobicContact CE3-CG 3.82Å; W135-E138 VanDerWaalsContact CZ3-CD 3.46Å; W135-E138 WeakPolarHBondContact CZ3-OE2 3.43Å; W135-E138 PolarHBondContact O-N 3.04Å; E138-A140 PolarHBondContact O-N 3.3Å
139	L	51.3	Low	72.1	Confident	64 Å²	64	42.8 Å²	42.8	34%	0.335	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-60.6	133.4	178.8	-96.1	85.9	0	0	0	111.4	Q91 D141 P479	Q91-L139 HydrophobicContact CB-CD2 3.57Å; Q91-L139 HydrophobicContact CG-CB 4.17Å; Q91-L139 HydrophobicContact CG-CD2 4.02Å; Q91-L139 WeakPolarHBondContact O-CD2 3.19Å; L139-D141 PolarHBondContact O-N 3.44Å; L139-P479 HydrophobicContact CD1-CG 3.41Å; L139-P479 VanDerWaalsContact CD1-CG 3.41Å; L139-P479 HydrophobicContact CD2-CG 3.53Å; L139-P479 HydrophobicContact CG-CG 4.05Å
140	A	60.7	Low	72.5	Confident	18 Å²	18	42.2 Å²	42.2	15%	0.149	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-64.8	116.9	176	0	0	0	0	0	110.5	Q91 W131 E132 N133 E138 G142	Q91-A140 WeakPolarHBondContact CG-O 3.43Å; W131-A140 HydrophobicContact CB-CB 3.86Å; W131-A140 HydrophobicContact CG-CB 3.97Å; E132-A140 WeakPolarHBondContact O-CA 3.02Å; N133-A140 WeakPolarHBondContact OD1-CB 3.4Å; E138-A140 PolarHBondContact O-N 3.3Å; A140-G142 PolarHBondContact O-N 3.17Å
141	D	66.6	Low	72.9	Confident	31 Å²	31	42.9 Å²	42.9	17%	0.166	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.9	172	-162.5	4.6	0	0	0	107.9	W131 E132 K134 L139	W131-D141 WeakPolarHBondContact CA-O 3.16Å; E132-D141 PolarHBondContact N-O 3.1Å; E132-D141 PolarHBondContact O-N 3.34Å; E132-D141 VanDerWaalsContact O-N 3.13Å; K134-D141 IonicContact NZ-OD2 2.83Å; K134-D141 PolarHBondContact NZ-OD2 2.76Å; L139-D141 PolarHBondContact O-N 3.44Å
142	G	72.5	Confident	73.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-179	-171.1	0	0	0	0	0	114	S89 A90 V130 A140	S89-G142 CarbonylContact C-O 3.6Å; S89-G142 WeakPolarHBondContact CA-O 3.46Å; S89-G142 PolarHBondContact OG-O 2.86Å; A90-G142 VanDerWaalsContact N-C 3.32Å; A90-G142 PolarHBondContact N-O 2.85Å; V130-G142 CarbonylContact O-C 3.42Å; V130-G142 WeakPolarHBondContact O-CA 3.41Å; A140-G142 PolarHBondContact O-N 3.17Å
143	L	77.9	Confident	74.1	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.2	177.8	-69.6	166.4	0	0	0	110.6	L34 V87 T88 S129 V130 Y145 R169 L171	L34-L143 HydrophobicContact CD1-CD2 4.44Å; V87-L143 HydrophobicContact CG1-CD2 4.31Å; T88-L143 WeakPolarHBondContact O-CA 3.41Å; T88-L143 WeakPolarHBondContact O-CD2 3.25Å; S129-L143 CarbonylContact C-O 3.46Å; S129-L143 WeakPolarHBondContact CA-O 3.49Å; V130-L143 PolarHBondContact N-O 3.38Å; V130-L143 PolarHBondContact O-N 3.16Å; L143-Y145 HydrophobicContact CB-CE2 3.93Å; L143-Y145 WeakPolarHBondContact CD1-OH 3.15Å; L143-R169 HydrophobicContact CD1-CB 3.91Å; L143-R169 HydrophobicContact CD1-CG 4.41Å; L143-L171 HydrophobicContact CB-CD1 4.05Å; L143-L171 HydrophobicContact CD1-CD1 3.68Å; L143-L171 HydrophobicContact CD1-CD2 4.36Å; L143-L171 HydrophobicContact CD1-CG 3.96Å; L143-L171 HydrophobicContact CG-CD1 3.84Å; L143-L171 HydrophobicContact CG-CD2 4.39Å; L143-L171 HydrophobicContact CG-CG 4.37Å
144	T	80.8	Confident	75.1	Confident	1 Å²	1	44 Å²	44	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.3	168.3	-61.3	0	0	0	0	108.8	T88 W101 Y128 S129	T88-T144 PolarHBondContact N-O 3.33Å; T88-T144 PolarHBondContact O-N 3.14Å; W101-T144 HydrophobicContact CH2-CG2 4Å; W101-T144 HydrophobicContact CZ2-CG2 3.7Å; Y128-T144 WeakPolarHBondContact O-CA 3.41Å; S129-T144 WeakPolarHBondContact OG-CB 3.41Å; S129-T144 WeakPolarHBondContact OG-CG2 3.48Å; S129-T144 PolarHBondContact OG-OG1 2.87Å
145	Y	84.6	Confident	76.4	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.6	175.1	-58.4	-92.2	0	0	0	109.2	F40 V87 T127 Y128 L143 F147	F40-Y145 HydrophobicContact CE2-CD1 4.11Å; F40-Y145 HydrophobicContact CE2-CE1 4.36Å; F40-Y145 AromaticContact CZ-CD1 3.97Å; F40-Y145 HydrophobicContact CZ-CD1 3.97Å; V87-Y145 HydrophobicContact CB-CD1 4.47Å; V87-Y145 HydrophobicContact CG1-CD1 4.01Å; V87-Y145 HydrophobicContact CG1-CE1 3.91Å; V87-Y145 HydrophobicContact CG2-CD1 3.71Å; V87-Y145 HydrophobicContact CG2-CE1 4.14Å; T127-Y145 CarbonylContact C-O 3.56Å; T127-Y145 WeakPolarHBondContact CA-O 3.45Å; Y128-Y145 HydrophobicContact CD1-CD2 4.24Å; Y128-Y145 PolarHBondContact N-O 3.38Å; Y128-Y145 PolarHBondContact O-N 3.23Å; L143-Y145 HydrophobicContact CB-CE2 3.93Å; L143-Y145 WeakPolarHBondContact CD1-OH 3.15Å; Y145-F147 VanDerWaalsContact CB-CE2 3.44Å; Y145-F147 HydrophobicContact CD1-CZ 4.34Å; Y145-F147 HydrophobicContact CG-CE2 4.43Å; Y145-F147 AromaticContact CG-CZ 3.98Å; Y145-F147 HydrophobicContact CG-CZ 3.98Å
146	G	87.9	Confident	77.8	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	171.5	0	0	0	0	0	110.9	F85 V86 C126	F85-G146 WeakPolarHBondContact CA-O 3.38Å; V86-G146 PolarHBondContact N-O 3.2Å; V86-G146 PolarHBondContact O-N 3.11Å; C126-G146 CarbonylContact O-C 3.59Å; C126-G146 WeakPolarHBondContact O-CA 3.45Å
147	F	89.3	Confident	79.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.2	-174.7	-53.7	-77	0	0	0	111.2	F40 V44 F85 Y125 C126 Y145 L149 I158 L165	F40-F147 HydrophobicContact CE1-CD1 4.33Å; F40-F147 HydrophobicContact CE1-CE1 4.09Å; F40-F147 HydrophobicContact CZ-CD1 4.35Å; F40-F147 AromaticContact CZ-CE1 3.66Å; F40-F147 HydrophobicContact CZ-CE1 3.66Å; F40-F147 HydrophobicContact CZ-CZ 4.46Å; V44-F147 HydrophobicContact CG2-CD1 4.13Å; V44-F147 HydrophobicContact CG2-CE1 3.96Å; F85-F147 HydrophobicContact CD1-CD1 4.27Å; F85-F147 HydrophobicContact CE1-CB 4.32Å; F85-F147 HydrophobicContact CE1-CD1 4.27Å; Y125-F147 WeakPolarHBondContact CA-O 3.1Å; Y125-F147 WeakPolarHBondContact CD2-O 3.43Å; C126-F147 PolarHBondContact N-O 3.43Å; C126-F147 PolarHBondContact O-N 2.95Å; Y145-F147 VanDerWaalsContact CB-CE2 3.44Å; Y145-F147 HydrophobicContact CD1-CZ 4.34Å; Y145-F147 HydrophobicContact CG-CE2 4.43Å; Y145-F147 AromaticContact CG-CZ 3.98Å; Y145-F147 HydrophobicContact CG-CZ 3.98Å; F147-L149 HydrophobicContact CB-CD1 4.03Å; F147-L149 HydrophobicContact CB-CG 3.96Å; F147-I158 HydrophobicContact CD2-CG2 4.42Å; F147-I158 HydrophobicContact CE2-CG2 4.44Å; F147-L165 HydrophobicContact CE1-CD1 3.58Å; F147-L165 HydrophobicContact CZ-CD1 3.64Å
148	C	90.9	Very high	81.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.6	165.4	-170.5	0	0	0	0	109.6	F81 F85 C108	F81-C148 HydrophobicContact CD2-CB 4.29Å; F81-C148 HydrophobicContact CE2-CB 3.84Å; F81-C148 HydrophobicContact CZ-CB 4.49Å; F81-C148 WeakPolarHBondContact CZ-O 3.45Å; F85-C148 HydrophobicContact CE2-CB 3.99Å; F85-C148 HydrophobicContact CZ-CB 4.11Å; F85-C148 VanDerWaalsContact CZ-O 3.26Å; F85-C148 WeakPolarHBondContact CZ-O 3.18Å; C108-C148 WeakPolarHBondContact CA-SG 3.36Å; C108-C148 HydrophobicContact CB-CB 3.73Å; C108-C148 WeakPolarHBondContact CB-SG 3.35Å; C108-C148 WeakPolarHBondContact SG-CA 3.34Å; C108-C148 WeakPolarHBondContact SG-CB 3.18Å; C108-C148 CovalentContact SG-SG 2.03Å; C108-C148 PolarHBondContact SG-SG 3.03Å
149	L	91.7	Very high	82.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.8	-172.2	-62.8	173.3	0	0	0	111	V44 L48 Y60 S123 Q124 F147 C153 I158	V44-L149 HydrophobicContact CG1-CD2 4.44Å; L48-L149 HydrophobicContact CD1-CD2 4.26Å; Y60-L149 HydrophobicContact CD2-CD2 4Å; Y60-L149 HydrophobicContact CE2-CD2 4Å; S123-L149 CarbonylContact C-O 3.54Å; S123-L149 VanDerWaalsContact CA-O 3.29Å; S123-L149 WeakPolarHBondContact CA-O 3.4Å; Q124-L149 HydrophobicContact CG-CB 4.37Å; Q124-L149 PolarHBondContact N-O 3.44Å; Q124-L149 PolarHBondContact O-N 3.35Å; F147-L149 HydrophobicContact CB-CD1 4.03Å; F147-L149 HydrophobicContact CB-CG 3.96Å; L149-C153 HydrophobicContact CB-CB 4.38Å; L149-I158 HydrophobicContact CD1-CD1 3.87Å; L149-I158 HydrophobicContact CD1-CG1 3.62Å
150	P	90.2	Very high	84.3	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	141.3	165.3	-23.5	30.9	0	0	0	111.9	L59 L113 I121 Q124 L152 C153	L59-P150 HydrophobicContact CB-CB 4.28Å; L59-P150 HydrophobicContact CB-CG 3.93Å; L59-P150 HydrophobicContact CD1-CB 4.31Å; L113-P150 HydrophobicContact CD1-CB 4.38Å; L113-P150 HydrophobicContact CD1-CG 3.79Å; I121-P150 HydrophobicContact CG2-CB 4.46Å; Q124-P150 PolarHBondContact NE2-O 2.98Å; P150-L152 PolarHBondContact O-N 3.48Å; P150-L152 VanDerWaalsContact O-N 3.11Å; P150-C153 WeakPolarHBondContact O-CB 3.3Å; P150-C153 PolarHBondContact O-N 3.24Å; P150-C153 PolarHBondContact O-SG 3.09Å
151	S	88.4	Confident	85.4	Confident	22 Å²	22	24.4 Å²	24.4	15%	0.154	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.4	177.3	48.2	0	0	0	0	115.6	P122 Q124 C153	P122-S151 WeakPolarHBondContact CG-OG 3.27Å; P122-S151 WeakPolarHBondContact O-CB 3.45Å; P122-S151 PolarHBondContact O-N 3.41Å; P122-S151 PolarHBondContact O-OG 3.27Å; Q124-S151 PolarHBondContact NE2-O 2.91Å; S151-C153 VanDerWaalsContact C-N 3.29Å
152	L	88.3	Confident	86.1	Confident	95 Å²	95	23.2 Å²	23.2	50%	0.497	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.2	177.9	-71.5	165.2	0	0	0	113.1	L55 L59 P150	L55-L152 HydrophobicContact CD2-CB 4.44Å; L55-L152 HydrophobicContact CD2-CD1 4.27Å; L59-L152 HydrophobicContact CD1-CB 3.98Å; L59-L152 HydrophobicContact CD1-CD1 3.6Å; L59-L152 HydrophobicContact CD1-CG 4.41Å; P150-L152 PolarHBondContact O-N 3.48Å; P150-L152 VanDerWaalsContact O-N 3.11Å
153	C	89.4	Confident	86.3	Confident	9 Å²	9	27 Å²	27	6%	0.061	17%	0.171	C	C	.	.			trans	-68	132.8	174.2	-60.4	0	0	0	0	110.7	C56 Q124 L149 P150 S151	C56-C153 HydrophobicContact CB-CB 3.78Å; C56-C153 WeakPolarHBondContact CB-SG 3.42Å; C56-C153 WeakPolarHBondContact SG-CB 3.35Å; C56-C153 CovalentContact SG-SG 2.03Å; C56-C153 PolarHBondContact SG-SG 3.09Å; Q124-C153 PolarHBondContact NE2-O 2.89Å; L149-C153 HydrophobicContact CB-CB 4.38Å; P150-C153 WeakPolarHBondContact O-CB 3.3Å; P150-C153 PolarHBondContact O-N 3.24Å; P150-C153 PolarHBondContact O-SG 3.09Å; S151-C153 VanDerWaalsContact C-N 3.29Å
154	T	89.3	Confident	86.2	Confident	63 Å²	63	30.5 Å²	30.5	39%	0.387	19%	0.186	S	C	.	.			trans	-91	164	-179.6	62.7	0	0	0	0	111.3	S156 D157 I158	T154-S156 PolarHBondContact O-N 3.35Å; T154-S156 PolarHBondContact OG1-OG 3.09Å; T154-D157 PolarHBondContact N-OD2 3.47Å; T154-D157 WeakPolarHBondContact O-CB 3.41Å; T154-D157 PolarHBondContact O-N 2.79Å; T154-D157 VanDerWaalsContact O-N 3.14Å; T154-D157 PolarHBondContact OG1-N 3.37Å; T154-D157 PolarHBondContact OG1-OD2 3.31Å; T154-I158 PolarHBondContact O-N 3.18Å
155	A	87.6	Confident	85.8	Confident	54 Å²	54	30.7 Å²	30.7	45%	0.446	19%	0.187	S	C	.	.	H	α-helix	trans	-57.3	-38.4	174.2	0	0	0	0	0	112.2	D157 I158 E159 L180	A155-D157 VanDerWaalsContact C-N 3.33Å; A155-D157 PolarHBondContact O-N 2.71Å; A155-I158 PolarHBondContact O-N 3.02Å; A155-E159 WeakPolarHBondContact O-CB 3.31Å; A155-E159 WeakPolarHBondContact O-CG 3.47Å; A155-E159 PolarHBondContact O-N 3.47Å; A155-L180 HydrophobicContact CB-CD2 3.76Å
156	S	86.8	Confident	84.7	Confident	78 Å²	78	34.8 Å²	34.8	55%	0.545	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-35	176.7	42.3	0	0	0	0	113.4	T154 I158 G160	T154-S156 PolarHBondContact O-N 3.35Å; T154-S156 PolarHBondContact OG1-OG 3.09Å; S156-I158 VanDerWaalsContact C-N 3.32Å; S156-G160 PolarHBondContact O-N 3.22Å
157	D	88.2	Confident	83.1	Confident	21 Å²	21	40.6 Å²	40.6	11%	0.112	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-43.7	176.3	-59.9	-43.9	0	0	0	110	Q51 C56 T154 A155 G160 I161	Q51-D157 PolarHBondContact NE2-O 3.07Å; C56-D157 HydrophobicContact CB-CB 4.17Å; T154-D157 PolarHBondContact N-OD2 3.47Å; T154-D157 WeakPolarHBondContact O-CB 3.41Å; T154-D157 PolarHBondContact O-N 2.79Å; T154-D157 VanDerWaalsContact O-N 3.14Å; T154-D157 PolarHBondContact OG1-N 3.37Å; T154-D157 PolarHBondContact OG1-OD2 3.31Å; A155-D157 VanDerWaalsContact C-N 3.33Å; A155-D157 PolarHBondContact O-N 2.71Å; D157-G160 PolarHBondContact O-N 2.85Å; D157-I161 PolarHBondContact O-N 3.37Å
158	I	88	Confident	81.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-48.5	-178.2	-57.2	168.7	0	0	0	111	C126 F147 L149 T154 A155 S156 G160 I161 V162 L180 C182	C126-I158 HydrophobicContact CB-CD1 3.87Å; C126-I158 WeakPolarHBondContact SG-CD1 3.43Å; F147-I158 HydrophobicContact CD2-CG2 4.42Å; F147-I158 HydrophobicContact CE2-CG2 4.44Å; L149-I158 HydrophobicContact CD1-CD1 3.87Å; L149-I158 HydrophobicContact CD1-CG1 3.62Å; T154-I158 PolarHBondContact O-N 3.18Å; A155-I158 PolarHBondContact O-N 3.02Å; S156-I158 VanDerWaalsContact C-N 3.32Å; I158-G160 PolarHBondContact O-N 3.11Å; I158-I161 WeakPolarHBondContact O-CG1 3.36Å; I158-I161 PolarHBondContact O-N 2.69Å; I158-V162 WeakPolarHBondContact O-CG2 3.33Å; I158-V162 PolarHBondContact O-N 2.92Å; I158-L180 HydrophobicContact CB-CD1 4.32Å; I158-L180 HydrophobicContact CB-CD2 4.21Å; I158-L180 HydrophobicContact CD1-CD1 4.21Å; I158-L180 HydrophobicContact CD1-CD2 4.37Å; I158-L180 HydrophobicContact CG2-CD1 3.67Å; I158-L180 HydrophobicContact CG2-CD2 4.38Å; I158-C182 VanDerWaalsContact CD1-SG 3.55Å
159	E	86.3	Confident	80	Confident	100 Å²	100	49.1 Å²	49.1	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-33.5	177.6	-72.5	174.2	-177.4	0	0	111.7	Y128 A155 I161 P163 L180	Y128-E159 HydrophobicContact CE2-CG 4.35Å; A155-E159 WeakPolarHBondContact O-CB 3.31Å; A155-E159 WeakPolarHBondContact O-CG 3.47Å; A155-E159 PolarHBondContact O-N 3.47Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 3.44Å; E159-P163 WeakPolarHBondContact O-CD 3.47Å; E159-L180 HydrophobicContact CG-CD2 4.21Å
160	G	84.4	Confident	78.6	Confident	31 Å²	31	54.9 Å²	54.9	32%	0.32	31%	0.309	S	S	.	.	H	α-helix	trans	-72.9	-19.3	178.3	0	0	0	0	0	115.1	Q51 S156 D157 I158	Q51-G160 VanDerWaalsContact NE2-CA 3.31Å; S156-G160 PolarHBondContact O-N 3.22Å; D157-G160 PolarHBondContact O-N 2.85Å; I158-G160 PolarHBondContact O-N 3.11Å
161	I	85.2	Confident	77.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-90.5	-28.2	176	60.7	166.9	0	0	0	112.9	V44 A47 L48 D157 I158 E159 K164 L165	V44-I161 HydrophobicContact CG1-CD1 4.07Å; A47-I161 HydrophobicContact CB-CB 3.85Å; A47-I161 HydrophobicContact CB-CG2 3.76Å; L48-I161 HydrophobicContact CB-CG2 4.46Å; L48-I161 HydrophobicContact CD2-CD1 4.42Å; L48-I161 HydrophobicContact CD2-CG2 3.68Å; L48-I161 HydrophobicContact CG-CD1 4.47Å; L48-I161 HydrophobicContact CG-CG2 3.89Å; D157-I161 PolarHBondContact O-N 3.37Å; I158-I161 WeakPolarHBondContact O-CG1 3.36Å; I158-I161 PolarHBondContact O-N 2.69Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 3.44Å; I161-K164 WeakPolarHBondContact O-CA 3.47Å; I161-K164 WeakPolarHBondContact O-CB 3.41Å; I161-K164 PolarHBondContact O-N 3.17Å; I161-L165 HydrophobicContact CD1-CD1 4.27Å; I161-L165 HydrophobicContact CG1-CD1 4.4Å; I161-L165 WeakPolarHBondContact O-CG 3.45Å; I161-L165 PolarHBondContact O-N 3.16Å
162	V	80.7	Confident	76.4	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-55.1	-50.3	-175.6	162.7	0	0	0	0	113.1	Y128 I158 K164 L165 Q166	Y128-V162 HydrophobicContact CD1-CB 4.17Å; Y128-V162 HydrophobicContact CD1-CG1 3.65Å; Y128-V162 HydrophobicContact CD1-CG2 3.43Å; Y128-V162 VanDerWaalsContact CD1-CG2 3.43Å; Y128-V162 HydrophobicContact CD2-CG2 3.95Å; Y128-V162 HydrophobicContact CE1-CB 3.86Å; Y128-V162 HydrophobicContact CE1-CG1 3.05Å; Y128-V162 HydrophobicContact CE1-CG2 3.6Å; Y128-V162 HydrophobicContact CE2-CG2 4.1Å; Y128-V162 HydrophobicContact CG-CG2 3.61Å; I158-V162 WeakPolarHBondContact O-CG2 3.33Å; I158-V162 PolarHBondContact O-N 2.92Å; V162-K164 PolarHBondContact O-N 3.34Å; V162-K164 VanDerWaalsContact O-N 3.11Å; V162-L165 WeakPolarHBondContact O-CB 3.34Å; V162-L165 PolarHBondContact O-N 3.45Å; V162-Q166 PolarHBondContact O-N 2.85Å
163	P	76.7	Confident	75.6	Confident	80 Å²	80	59.5 Å²	59.5	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-56.7	-30.7	179.5	-26.6	34.4	0	0	0	112.7	E159	E159-P163 WeakPolarHBondContact O-CD 3.47Å
164	K	75.8	Confident	74.7	Confident	75 Å²	75	64.5 Å²	64.5	33%	0.326	37%	0.367	S	S	.	.	H	α-helix	trans	-77.4	-23.3	178.7	-51.4	178.4	-177.8	-174.9	0	112.5	A47 I161 V162 V167	A47-K164 HydrophobicContact CB-CB 4.19Å; A47-K164 HydrophobicContact CB-CD 3.97Å; A47-K164 PolarHBondContact O-NZ 2.84Å; I161-K164 WeakPolarHBondContact O-CA 3.47Å; I161-K164 WeakPolarHBondContact O-CB 3.41Å; I161-K164 PolarHBondContact O-N 3.17Å; V162-K164 PolarHBondContact O-N 3.34Å; V162-K164 VanDerWaalsContact O-N 3.11Å; K164-V167 WeakPolarHBondContact O-CG2 3.27Å
165	L	71.3	Confident	74	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-84.5	-8.7	177.1	-64.6	172.6	0	0	0	113.3	F40 V44 F147 I161 V162 V167 Y168	F40-L165 HydrophobicContact CE2-CD1 4.39Å; F40-L165 HydrophobicContact CE2-CD2 4.14Å; F40-L165 HydrophobicContact CZ-CD1 4.42Å; V44-L165 HydrophobicContact CG2-CD1 4.12Å; V44-L165 HydrophobicContact CG2-CD2 4.01Å; F147-L165 HydrophobicContact CE1-CD1 3.58Å; F147-L165 HydrophobicContact CZ-CD1 3.64Å; I161-L165 HydrophobicContact CD1-CD1 4.27Å; I161-L165 HydrophobicContact CG1-CD1 4.4Å; I161-L165 WeakPolarHBondContact O-CG 3.45Å; I161-L165 PolarHBondContact O-N 3.16Å; V162-L165 WeakPolarHBondContact O-CB 3.34Å; V162-L165 PolarHBondContact O-N 3.45Å; L165-V167 PolarHBondContact O-N 2.86Å; L165-Y168 PolarHBondContact O-N 2.6Å; L165-Y168 VanDerWaalsContact O-N 3.11Å
166	Q	62.8	Low	73.4	Confident	91 Å²	91	65.4 Å²	65.4	43%	0.425	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-59	-8.2	175.1	-68.8	-171.7	-20.4	0	0	113.8	V162 Y168 R169	V162-Q166 PolarHBondContact O-N 2.85Å; Q166-Y168 PolarHBondContact O-N 3.06Å; Q166-R169 CarbonylContact O-C 3.28Å; Q166-R169 VanDerWaalsContact O-C 3.28Å; Q166-R169 PolarHBondContact O-N 3.47Å
167	V	53.6	Low	73	Confident	122 Å²	122	67.2 Å²	67.2	74%	0.739	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-53.7	-31.1	168.6	-179.9	0	0	0	0	112.4	K164 L165 R169	K164-V167 WeakPolarHBondContact O-CG2 3.27Å; L165-V167 PolarHBondContact O-N 2.86Å; V167-R169 PolarHBondContact O-N 3.4Å
168	Y	55	Low	72.7	Confident	66 Å²	66	72 Å²	72	26%	0.259	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-70.6	-28.8	-177.5	-113.5	-91.5	0	0	0	113.8	N37 F40 L165 Q166	N37-Y168 PolarHBondContact N-OH 3.46Å; F40-Y168 HydrophobicContact CB-CE2 3.94Å; F40-Y168 AromaticContact CD2-CD2 3.84Å; F40-Y168 HydrophobicContact CD2-CD2 3.84Å; F40-Y168 AromaticContact CD2-CE2 3.66Å; F40-Y168 HydrophobicContact CD2-CE2 3.66Å; F40-Y168 HydrophobicContact CE2-CD2 4.49Å; F40-Y168 HydrophobicContact CG-CE2 4.28Å; L165-Y168 PolarHBondContact O-N 2.6Å; L165-Y168 VanDerWaalsContact O-N 3.11Å; Q166-Y168 PolarHBondContact O-N 3.06Å
169	R	60.6	Low	72.5	Confident	114 Å²	114	76 Å²	76	43%	0.43	41%	0.41	S	S	.	.			trans	-168.6	121.3	173.8	-177	177.2	-170.2	-165.1	-1.2	109	L143 Q166 V167 L171	L143-R169 HydrophobicContact CD1-CB 3.91Å; L143-R169 HydrophobicContact CD1-CG 4.41Å; Q166-R169 CarbonylContact O-C 3.28Å; Q166-R169 VanDerWaalsContact O-C 3.28Å; Q166-R169 PolarHBondContact O-N 3.47Å; V167-R169 PolarHBondContact O-N 3.4Å; R169-L171 PolarHBondContact O-N 3.12Å
170	T	61.2	Low	72.5	Confident	120 Å²	120	73.2 Å²	73.2	74%	0.736	40%	0.398	S	S	*	.			trans	-68.9	116.2	171.5	44.5	0	0	0	0	109.5
171	L	65.9	Low	72.6	Confident	29 Å²	29	74.4 Å²	74.4	15%	0.152	40%	0.396	C	S	.	.			trans	-97.9	105.4	172.1	-72.4	173.4	0	0	0	108.3	L143 R169 L173	L143-L171 HydrophobicContact CB-CD1 4.05Å; L143-L171 HydrophobicContact CD1-CD1 3.68Å; L143-L171 HydrophobicContact CD1-CD2 4.36Å; L143-L171 HydrophobicContact CD1-CG 3.96Å; L143-L171 HydrophobicContact CG-CD1 3.84Å; L143-L171 HydrophobicContact CG-CD2 4.39Å; L143-L171 HydrophobicContact CG-CG 4.37Å; R169-L171 PolarHBondContact O-N 3.12Å; L171-L173 VanDerWaalsContact C-N 3.28Å; L171-L173 HydrophobicContact CB-CD1 3.99Å; L171-L173 HydrophobicContact CB-CD2 4.46Å; L171-L173 HydrophobicContact CB-CG 3.89Å; L171-L173 HydrophobicContact CD1-CD1 4.15Å; L171-L173 PolarHBondContact O-N 3.25Å
172	N	67.5	Low	72.8	Confident	154 Å²	154	76.2 Å²	76.2	82%	0.824	41%	0.408	S	S	*	.			trans	-78.2	79.9	170.4	-75.2	-6.8	0	0	0	109.1
173	L	70.8	Confident	73.1	Confident	33 Å²	33	76 Å²	76	17%	0.173	41%	0.407	C	S	.	.			trans	-101.5	131.5	178.5	-54.7	171.3	0	0	0	110.2	V130 E132 L171 P176	V130-L173 HydrophobicContact CG1-CD1 3.52Å; E132-L173 HydrophobicContact CB-CB 4.23Å; E132-L173 HydrophobicContact CB-CD2 3.51Å; E132-L173 HydrophobicContact CB-CG 4.28Å; E132-L173 VanDerWaalsContact OE2-CA 3.24Å; E132-L173 WeakPolarHBondContact OE2-CA 3.36Å; L171-L173 VanDerWaalsContact C-N 3.28Å; L171-L173 HydrophobicContact CB-CD1 3.99Å; L171-L173 HydrophobicContact CB-CD2 4.46Å; L171-L173 HydrophobicContact CB-CG 3.89Å; L171-L173 HydrophobicContact CD1-CD1 4.15Å; L171-L173 PolarHBondContact O-N 3.25Å; L173-P176 HydrophobicContact CB-CB 3.97Å; L173-P176 HydrophobicContact CB-CG 4.48Å; L173-P176 HydrophobicContact CD1-CB 3.9Å
174	S	70.7	Confident	73.6	Confident	113 Å²	113	73.9 Å²	73.9	79%	0.79	39%	0.393	S	S	*	.	S	Bend	trans	-81.3	-35.7	-177.9	-39.8	0	0	0	0	111.5	E132	E132-S174 VanDerWaalsContact CD-N 3.33Å; E132-S174 WeakPolarHBondContact OE1-CA 3.32Å; E132-S174 VanDerWaalsContact OE1-CB 3.24Å; E132-S174 WeakPolarHBondContact OE1-CB 3.48Å; E132-S174 PolarHBondContact OE1-N 3.2Å; E132-S174 VanDerWaalsContact OE1-N 3.14Å; E132-S174 PolarHBondContact OE2-N 3.14Å
175	S	74.5	Confident	74	Confident	76 Å²	76	70.8 Å²	70.8	53%	0.531	38%	0.383	S	S	.	.	S	Bend	trans	-139.1	68.7	179.8	57.9	0	0	0	0	111.1	E132 K177	E132-S175 PolarHBondContact OE1-N 3.27Å; E132-S175 PolarHBondContact OE1-OG 3.45Å; S175-K177 PolarHBondContact O-N 3.04Å
176	P	76.1	Confident	74.5	Confident	61 Å²	61	75.5 Å²	75.5	40%	0.396	40%	0.401	S	S	.	.			trans	-63	123.8	-175.6	25.5	-33.3	0	0	0	111.1	V130 L173	V130-P176 HydrophobicContact CG1-CB 3.95Å; L173-P176 HydrophobicContact CB-CB 3.97Å; L173-P176 HydrophobicContact CB-CG 4.48Å; L173-P176 HydrophobicContact CD1-CB 3.9Å
177	K	78.4	Confident	75.5	Confident	116 Å²	116	72.8 Å²	72.8	50%	0.504	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.1	162	-69.4	-178.7	179.7	178.4	0	108.4	V130 W131 S175	V130-K177 WeakPolarHBondContact CA-O 3.48Å; W131-K177 HydrophobicContact CD2-CB 4.12Å; W131-K177 HydrophobicContact CZ2-CB 4.03Å; W131-K177 HydrophobicContact CZ2-CD 4.47Å; W131-K177 PolarHBondContact N-O 3.27Å; W131-K177 PolarHBondContact O-N 2.85Å; S175-K177 PolarHBondContact O-N 3.04Å
178	Q	81.6	Confident	76.8	Confident	120 Å²	120	71 Å²	71	56%	0.561	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.6	-178	-63.1	174.8	-7.9	0	0	109	Y128 S129 V130	Y128-Q178 WeakPolarHBondContact OH-CG 3.18Å; Y128-Q178 PolarHBondContact OH-OE1 3.41Å; S129-Q178 WeakPolarHBondContact O-CA 3.48Å; V130-Q178 HydrophobicContact CG1-CG 4.37Å; V130-Q178 HydrophobicContact CG2-CG 4.38Å
179	E	83.5	Confident	78.3	Confident	85 Å²	85	74.5 Å²	74.5	40%	0.397	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	119.8	175.8	-175.6	171.3	-149.2	0	0	109.6	Y128 S129 W131 M181	Y128-E179 WeakPolarHBondContact CA-O 3.32Å; S129-E179 PolarHBondContact N-O 3.48Å; S129-E179 PolarHBondContact O-N 3.26Å; W131-E179 HydrophobicContact CH2-CB 3.56Å; W131-E179 WeakPolarHBondContact CH2-OE2 3.49Å; W131-E179 HydrophobicContact CZ3-CB 3.61Å; E179-M181 HydrophobicContact CG-CG 4.04Å; E179-M181 WeakPolarHBondContact OE1-CE 3.25Å
180	L	87.1	Confident	79.5	Confident	42 Å²	42	70.5 Å²	70.5	22%	0.22	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124	172	177.1	62.1	0	0	0	108.9	C126 T127 Y128 A155 I158 E159	C126-L180 HydrophobicContact CB-CD1 4.35Å; T127-L180 WeakPolarHBondContact O-CA 3.15Å; Y128-L180 HydrophobicContact CD2-CB 4.01Å; Y128-L180 HydrophobicContact CD2-CD1 4.11Å; A155-L180 HydrophobicContact CB-CD2 3.76Å; I158-L180 HydrophobicContact CB-CD1 4.32Å; I158-L180 HydrophobicContact CB-CD2 4.21Å; I158-L180 HydrophobicContact CD1-CD1 4.21Å; I158-L180 HydrophobicContact CD1-CD2 4.37Å; I158-L180 HydrophobicContact CG2-CD1 3.67Å; I158-L180 HydrophobicContact CG2-CD2 4.38Å; E159-L180 HydrophobicContact CG-CD2 4.21Å
181	M	85.6	Confident	80.8	Confident	55 Å²	55	70.1 Å²	70.1	27%	0.271	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.5	174.2	-63.6	-175.7	138.9	0	0	109.9	C126 T127 E179 Y380	C126-M181 CarbonylContact C-O 3.57Å; C126-M181 VanDerWaalsContact CA-O 3.23Å; C126-M181 WeakPolarHBondContact CA-O 3.4Å; T127-M181 PolarHBondContact N-O 2.92Å; T127-M181 PolarHBondContact O-N 3.22Å; E179-M181 HydrophobicContact CG-CG 4.04Å; E179-M181 WeakPolarHBondContact OE1-CE 3.25Å; M181-Y380 HydrophobicContact CB-CD1 4.47Å; M181-Y380 HydrophobicContact CB-CE1 4.17Å; M181-Y380 HydrophobicContact CE-CD2 4.35Å; M181-Y380 HydrophobicContact CE-CE2 4.3Å; M181-Y380 HydrophobicContact CG-CE1 4.48Å; M181-Y380 HydrophobicContact SD-CD1 3.87Å; M181-Y380 HydrophobicContact SD-CD2 4.15Å; M181-Y380 HydrophobicContact SD-CE1 3.38Å; M181-Y380 WeakPolarHBondContact SD-CE1 3.22Å; M181-Y380 HydrophobicContact SD-CE2 3.76Å; M181-Y380 HydrophobicContact SD-CG 4.23Å
182	C	88.6	Confident	81.9	Confident	39 Å²	39	75.3 Å²	75.3	26%	0.264	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.7	175	-68.2	0	0	0	0	111.4	Y125 C126 I158	Y125-C182 CarbonylContact O-C 3.58Å; Y125-C182 WeakPolarHBondContact O-CA 3.47Å; C126-C182 HydrophobicContact CB-CB 4.18Å; C126-C182 WeakPolarHBondContact CB-SG 3.41Å; C126-C182 WeakPolarHBondContact SG-CB 3.39Å; C126-C182 CovalentContact SG-SG 2.05Å; C126-C182 PolarHBondContact SG-SG 2.91Å; I158-C182 VanDerWaalsContact CD1-SG 3.55Å
183	S	87.9	Confident	83.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.4	175.2	-162.6	0	0	0	0	109.5	K109 Q124 Y125	K109-S183 PolarHBondContact NZ-OG 2.79Å; Q124-S183 WeakPolarHBondContact CA-O 2.95Å; Y125-S183 PolarHBondContact N-O 3.27Å; Y125-S183 PolarHBondContact O-N 3.35Å
184	P	86.8	Confident	84	Confident	36 Å²	36	74 Å²	74	23%	0.234	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	143.6	-176.8	28.9	-33.1	0	0	0	110.9	K109 Y186 P377	K109-P184 VanDerWaalsContact CE-O 3.27Å; K109-P184 WeakPolarHBondContact CE-O 3.37Å; P184-Y186 HydrophobicContact CB-CD1 4.05Å; P184-Y186 HydrophobicContact CB-CE1 3.88Å; P184-Y186 PolarHBondContact O-N 3.18Å; P184-P377 HydrophobicContact CG-CG 3.84Å; P184-P377 VanDerWaalsContact O-CD 3.25Å; P184-P377 WeakPolarHBondContact O-CD 3.45Å; P184-P377 VanDerWaalsContact O-CG 3.31Å; P184-P377 WeakPolarHBondContact O-CG 3.06Å
185	G	84.3	Confident	85.1	Confident	10 Å²	10	72 Å²	72	10%	0.103	36%	0.362	C	S	.	.	S	Bend	trans	-82.9	22.4	174.4	0	0	0	0	0	114.8	S123	S123-G185 WeakPolarHBondContact O-CA 3.49Å; S123-G185 PolarHBondContact O-N 3.16Å
186	Y	82.8	Confident	85.9	Confident	103 Å²	103	70.4 Å²	70.4	40%	0.404	35%	0.351	S	S	.	.	S	Bend	trans	-149.2	149	175.7	65.7	-77.4	0	0	0	110	P122 P184	P122-Y186 HydrophobicContact CB-CD1 3.82Å; P122-Y186 HydrophobicContact CB-CG 4.34Å; P122-Y186 HydrophobicContact CG-CD1 3.63Å; P122-Y186 HydrophobicContact CG-CE1 4.2Å; P122-Y186 HydrophobicContact CG-CG 4.11Å; P184-Y186 HydrophobicContact CB-CD1 4.05Å; P184-Y186 HydrophobicContact CB-CE1 3.88Å; P184-Y186 PolarHBondContact O-N 3.18Å
187	Q	82.5	Confident	86.7	Confident	35 Å²	35	67.6 Å²	67.6	16%	0.164	33%	0.333	C	S	.	.			trans	-78.7	136.4	164.5	-66.8	-68.7	-6.5	0	0	109.7	Y189 S374 D375 F376	Q187-Y189 WeakPolarHBondContact CB-O 3.49Å; Q187-Y189 PolarHBondContact O-N 3.31Å; Q187-S374 WeakPolarHBondContact CG-O 3.4Å; Q187-D375 PolarHBondContact N-O 3.49Å; Q187-F376 VanDerWaalsContact NE2-C 3.35Å
188	P	81.4	Confident	87.5	Confident	84 Å²	84	66.8 Å²	66.8	55%	0.545	33%	0.33	S	S	.	.	S	Bend	trans	-66.6	-29.4	-179.4	26.1	-33.9	0	0	0	112.5
189	Y	85.6	Confident	88.2	Confident	139 Å²	139	66 Å²	66	55%	0.545	33%	0.333	S	S	.	.	S	Bend	trans	-129.8	148.7	179.4	-56.3	-71.6	0	0	0	109.6	Q187 Y194	Q187-Y189 WeakPolarHBondContact CB-O 3.49Å; Q187-Y189 PolarHBondContact O-N 3.31Å; Y189-Y194 HydrophobicContact CD2-CE1 4.2Å; Y189-Y194 WeakPolarHBondContact O-CE2 3.41Å
190	S	87.8	Confident	88.7	Confident	31 Å²	31	62.3 Å²	62.3	22%	0.217	32%	0.317	C	S	.	.			trans	-63.6	154.1	167.8	60	0	0	0	0	111.3	W192 Q193 Y194	S190-W192 VanDerWaalsContact CB-CZ2 3.41Å; S190-W192 PolarHBondContact O-N 3.26Å; S190-W192 VanDerWaalsContact O-N 3.13Å; S190-W192 VanDerWaalsContact OG-CD2 3.31Å; S190-W192 WeakPolarHBondContact OG-CZ2 3.35Å; S190-W192 PolarHBondContact OG-NE1 3.21Å; S190-Q193 WeakPolarHBondContact O-CB 3.41Å; S190-Q193 PolarHBondContact O-N 2.74Å; S190-Q193 VanDerWaalsContact OG-CG 3.31Å; S190-Q193 WeakPolarHBondContact OG-CG 3.41Å; S190-Q193 PolarHBondContact OG-OE1 3.41Å; S190-Y194 WeakPolarHBondContact O-CD2 3.34Å
191	W	87.3	Confident	89.1	Confident	111 Å²	111	64.1 Å²	64.1	42%	0.42	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-57.3	-33.7	-174.6	62.3	-98.6	0	0	0	113.7	Q193 Y194 V197 H372 F373	W191-Q193 VanDerWaalsContact C-N 3.25Å; W191-Q193 PolarHBondContact O-N 3.32Å; W191-Y194 PolarHBondContact O-N 3.03Å; W191-V197 HydrophobicContact CE3-CG1 4.02Å; W191-V197 HydrophobicContact CZ3-CG1 4.36Å; W191-V197 WeakPolarHBondContact O-CG2 3.35Å; W191-H372 HydrophobicContact CB-CB 3.97Å; W191-H372 VanDerWaalsContact CB-O 3.3Å; W191-H372 WeakPolarHBondContact CB-O 2.95Å; W191-F373 HydrophobicContact CB-CD1 3.93Å; W191-F373 HydrophobicContact CB-CE1 4.27Å; W191-F373 HydrophobicContact CD2-CD1 4.15Å; W191-F373 AromaticContact CD2-CE1 3.83Å; W191-F373 HydrophobicContact CD2-CE1 3.83Å; W191-F373 AromaticContact CE3-CE1 3.84Å; W191-F373 HydrophobicContact CE3-CE1 3.84Å; W191-F373 AromaticContact CG-CD1 3.88Å; W191-F373 HydrophobicContact CG-CD1 3.88Å; W191-F373 HydrophobicContact CG-CE1 4.05Å; W191-F373 HydrophobicContact CZ3-CE1 4.47Å
192	W	89.5	Confident	89.6	Confident	139 Å²	139	64.4 Å²	64.4	53%	0.527	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-77.6	-7.2	-178.8	64.7	83.4	0	0	0	113.8	S190 H198	S190-W192 VanDerWaalsContact CB-CZ2 3.41Å; S190-W192 PolarHBondContact O-N 3.26Å; S190-W192 VanDerWaalsContact O-N 3.13Å; S190-W192 VanDerWaalsContact OG-CD2 3.31Å; S190-W192 WeakPolarHBondContact OG-CZ2 3.35Å; S190-W192 PolarHBondContact OG-NE1 3.21Å; W192-H198 PolarHBondContact O-CE1 3.32Å; W192-H198 PolarHBondContact O-NE2 3.23Å
193	Q	91.7	Very high	90	Very high	114 Å²	114	65.8 Å²	65.8	53%	0.533	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-85.3	-14.9	175.8	-72.3	170	-45.7	0	0	112.2	S190 W191 A195	S190-Q193 WeakPolarHBondContact O-CB 3.41Å; S190-Q193 PolarHBondContact O-N 2.74Å; S190-Q193 VanDerWaalsContact OG-CG 3.31Å; S190-Q193 WeakPolarHBondContact OG-CG 3.41Å; S190-Q193 PolarHBondContact OG-OE1 3.41Å; W191-Q193 VanDerWaalsContact C-N 3.25Å; W191-Q193 PolarHBondContact O-N 3.32Å; Q193-A195 PolarHBondContact O-N 3.43Å
194	Y	90.7	Very high	90.4	Very high	44 Å²	44	67.5 Å²	67.5	17%	0.173	35%	0.351	C	S	.	.			trans	-81.3	120.4	179.3	-65.7	-81.5	0	0	0	111.3	Y189 S190 W191 S196 V197 H372	Y189-Y194 HydrophobicContact CD2-CE1 4.2Å; Y189-Y194 WeakPolarHBondContact O-CE2 3.41Å; S190-Y194 WeakPolarHBondContact O-CD2 3.34Å; W191-Y194 PolarHBondContact O-N 3.03Å; Y194-S196 PolarHBondContact O-N 3.46Å; Y194-V197 WeakPolarHBondContact O-CB 3.32Å; Y194-V197 PolarHBondContact O-N 2.94Å; Y194-H372 AromaticContact CD1-CE1 3.61Å; Y194-H372 AromaticContact CD1-ND1 3.94Å; Y194-H372 HydrophobicContact CD2-CB 4.18Å; Y194-H372 AromaticContact CD2-CE1 3.9Å; Y194-H372 AromaticContact CD2-CG 3.79Å; Y194-H372 AromaticContact CD2-ND1 3.42Å; Y194-H372 WeakPolarHBondContact CD2-ND1 3.4Å; Y194-H372 AromaticContact CE1-CE1 3.83Å; Y194-H372 AromaticContact CE1-ND1 3.97Å; Y194-H372 HydrophobicContact CE2-CB 4.46Å; Y194-H372 AromaticContact CE2-ND1 3.44Å; Y194-H372 WeakPolarHBondContact CE2-ND1 3.29Å; Y194-H372 AromaticContact CG-CE1 3.64Å; Y194-H372 AromaticContact CG-ND1 3.66Å; Y194-H372 AromaticContact CZ-ND1 3.72Å
195	A	92.7	Very high	90.9	Very high	71 Å²	71	69.2 Å²	69.2	59%	0.587	36%	0.36	S	S	*	.	H	α-helix	trans	-58.9	-32.8	177.2	0	0	0	0	0	113	Q193 V197 H198 V199	Q193-A195 PolarHBondContact O-N 3.43Å; A195-V197 VanDerWaalsContact C-N 3.26Å; A195-V197 PolarHBondContact O-N 3.22Å; A195-H198 PolarHBondContact O-N 2.84Å; A195-V199 WeakPolarHBondContact O-CG2 3.41Å; A195-V199 PolarHBondContact O-N 2.96Å; A195-V199 VanDerWaalsContact O-N 3.09Å
196	S	91.8	Very high	91.5	Very high	44 Å²	44	74 Å²	74	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-56.4	-39.9	175	49.6	0	0	0	0	112.3	Y194 V199 V200 G368 H372	Y194-S196 PolarHBondContact O-N 3.46Å; S196-V199 PolarHBondContact O-N 3.1Å; S196-V200 WeakPolarHBondContact O-CG2 3.06Å; S196-V200 PolarHBondContact O-N 2.92Å; S196-V200 VanDerWaalsContact O-N 3.07Å; S196-G368 CarbonylContact C-O 3.49Å; S196-G368 WeakPolarHBondContact CB-O 3.29Å; S196-G368 PolarHBondContact OG-O 3.31Å; S196-H372 PolarHBondContact OG-NE2 3.49Å
197	V	93.9	Very high	92.1	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-43.7	179.6	176.4	0	0	0	0	110.3	W191 Y194 A195 V199 V200 L201 G368 M369 H372	W191-V197 HydrophobicContact CE3-CG1 4.02Å; W191-V197 HydrophobicContact CZ3-CG1 4.36Å; W191-V197 WeakPolarHBondContact O-CG2 3.35Å; Y194-V197 WeakPolarHBondContact O-CB 3.32Å; Y194-V197 PolarHBondContact O-N 2.94Å; A195-V197 VanDerWaalsContact C-N 3.26Å; A195-V197 PolarHBondContact O-N 3.22Å; V197-V199 PolarHBondContact O-N 3.38Å; V197-V200 PolarHBondContact O-N 3.17Å; V197-L201 VanDerWaalsContact O-CB 3.25Å; V197-L201 WeakPolarHBondContact O-CB 3.25Å; V197-L201 PolarHBondContact O-N 3.41Å; V197-G368 VanDerWaalsContact CA-O 3.27Å; V197-G368 WeakPolarHBondContact CA-O 3.48Å; V197-G368 WeakPolarHBondContact CG2-O 3.33Å; V197-G368 PolarHBondContact N-O 3.33Å; V197-G368 VanDerWaalsContact N-O 3.08Å; V197-M369 HydrophobicContact CG1-CG 4.3Å; V197-H372 HydrophobicContact CG2-CB 4.1Å
198	H	95.3	Very high	92.8	Very high	98 Å²	98	70.9 Å²	70.9	45%	0.454	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-39.1	177	-66	-53.7	0	0	0	112.8	W192 A195 L201 A202	W192-H198 PolarHBondContact O-CE1 3.32Å; W192-H198 PolarHBondContact O-NE2 3.23Å; A195-H198 PolarHBondContact O-N 2.84Å; H198-L201 PolarHBondContact O-N 2.85Å; H198-A202 VanDerWaalsContact O-CB 3.25Å; H198-A202 WeakPolarHBondContact O-CB 3.38Å; H198-A202 PolarHBondContact O-N 3.43Å
199	V	95.1	Very high	93.5	Very high	103 Å²	103	71.2 Å²	71.2	62%	0.624	37%	0.373	S	S	*	.	H	α-helix	trans	-62.5	-46.7	176.7	172.4	0	0	0	0	110.8	A195 S196 V197 A202 L203	A195-V199 WeakPolarHBondContact O-CG2 3.41Å; A195-V199 PolarHBondContact O-N 2.96Å; A195-V199 VanDerWaalsContact O-N 3.09Å; S196-V199 PolarHBondContact O-N 3.1Å; V197-V199 PolarHBondContact O-N 3.38Å; V199-A202 PolarHBondContact O-N 2.95Å; V199-L203 PolarHBondContact O-N 2.89Å
200	V	95	Very high	93.9	Very high	8 Å²	8	65.6 Å²	65.6	5%	0.048	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-40.8	178.9	177.2	0	0	0	0	111.2	S196 V197 L203 I204 A364 L365 M369	S196-V200 WeakPolarHBondContact O-CG2 3.06Å; S196-V200 PolarHBondContact O-N 2.92Å; S196-V200 VanDerWaalsContact O-N 3.07Å; V197-V200 PolarHBondContact O-N 3.17Å; V200-L203 WeakPolarHBondContact O-CB 3.36Å; V200-L203 PolarHBondContact O-N 2.95Å; V200-I204 HydrophobicContact CG1-CD1 4.04Å; V200-I204 WeakPolarHBondContact O-CG1 3.38Å; V200-I204 PolarHBondContact O-N 3Å; V200-A364 HydrophobicContact CG2-CB 4.49Å; V200-A364 WeakPolarHBondContact CG2-O 3.42Å; V200-L365 HydrophobicContact CG1-CD2 3.81Å; V200-M369 HydrophobicContact CB-CB 4.2Å; V200-M369 HydrophobicContact CG1-CB 3.92Å; V200-M369 HydrophobicContact CG1-SD 3.99Å
201	L	95.4	Very high	94.3	Very high	80 Å²	80	65.6 Å²	65.6	42%	0.419	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-43.9	176.7	-175.5	62.4	0	0	0	111.6	V197 H198 L203 I204 V205	V197-L201 VanDerWaalsContact O-CB 3.25Å; V197-L201 WeakPolarHBondContact O-CB 3.25Å; V197-L201 PolarHBondContact O-N 3.41Å; H198-L201 PolarHBondContact O-N 2.85Å; L201-L203 VanDerWaalsContact C-N 3.3Å; L201-L203 PolarHBondContact O-N 3.04Å; L201-I204 PolarHBondContact O-N 3.5Å; L201-V205 WeakPolarHBondContact O-CG2 3.41Å; L201-V205 PolarHBondContact O-N 3.01Å
202	A	96.4	Very high	94.7	Very high	62 Å²	62	64.8 Å²	64.8	51%	0.512	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-40.5	174.7	0	0	0	0	0	111.6	H198 V199 V205 L206	H198-A202 VanDerWaalsContact O-CB 3.25Å; H198-A202 WeakPolarHBondContact O-CB 3.38Å; H198-A202 PolarHBondContact O-N 3.43Å; V199-A202 PolarHBondContact O-N 2.95Å; A202-V205 PolarHBondContact O-N 3.22Å; A202-L206 WeakPolarHBondContact O-CB 3.18Å; A202-L206 PolarHBondContact O-N 3.46Å
203	L	96.1	Very high	94.9	Very high	67 Å²	67	61.3 Å²	61.3	35%	0.351	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-43.6	174.4	-180	62.3	0	0	0	112	V199 V200 L201 L206 L207 F361	V199-L203 PolarHBondContact O-N 2.89Å; V200-L203 WeakPolarHBondContact O-CB 3.36Å; V200-L203 PolarHBondContact O-N 2.95Å; L201-L203 VanDerWaalsContact C-N 3.3Å; L201-L203 PolarHBondContact O-N 3.04Å; L203-L206 PolarHBondContact O-N 3.34Å; L203-L207 HydrophobicContact CD1-CD1 4.34Å; L203-L207 HydrophobicContact CD1-CG 4.38Å; L203-L207 HydrophobicContact CG-CD1 4.2Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.04Å; L203-L207 PolarHBondContact O-N 3.08Å; L203-F361 HydrophobicContact CD2-CD2 3.78Å; L203-F361 HydrophobicContact CD2-CE2 3.78Å; L203-F361 HydrophobicContact CG-CD2 4.43Å; L203-F361 HydrophobicContact CG-CE2 4.04Å
204	I	96.3	Very high	95	Very high	36 Å²	36	55.9 Å²	55.9	19%	0.185	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-49.5	175.3	-69.3	162.9	0	0	0	110.2	V200 L201 L206 L207 V208 F361 L365 M369	V200-I204 HydrophobicContact CG1-CD1 4.04Å; V200-I204 WeakPolarHBondContact O-CG1 3.38Å; V200-I204 PolarHBondContact O-N 3Å; L201-I204 PolarHBondContact O-N 3.5Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.49Å; I204-L207 PolarHBondContact O-N 3.41Å; I204-V208 HydrophobicContact CG2-CG2 4.23Å; I204-V208 WeakPolarHBondContact O-CB 3.42Å; I204-V208 VanDerWaalsContact O-CG2 3.28Å; I204-V208 WeakPolarHBondContact O-CG2 3.5Å; I204-V208 PolarHBondContact O-N 3.23Å; I204-F361 HydrophobicContact CG1-CE2 4.38Å; I204-F361 HydrophobicContact CG1-CZ 3.89Å; I204-L365 HydrophobicContact CD1-CD2 4Å; I204-M369 HydrophobicContact CD1-CE 4.29Å; I204-M369 HydrophobicContact CD1-SD 3.9Å
205	V	96.8	Very high	95.1	Very high	72 Å²	72	54.9 Å²	54.9	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-44.7	179	171.1	0	0	0	0	110.5	L201 A202 L207 V208 L209	L201-V205 WeakPolarHBondContact O-CG2 3.41Å; L201-V205 PolarHBondContact O-N 3.01Å; A202-V205 PolarHBondContact O-N 3.22Å; V205-L207 PolarHBondContact O-N 3.5Å; V205-V208 PolarHBondContact O-N 2.91Å; V205-L209 HydrophobicContact CG1-CD1 3.86Å; V205-L209 HydrophobicContact CG1-CG 4.24Å; V205-L209 WeakPolarHBondContact O-CB 3.2Å; V205-L209 VanDerWaalsContact O-CG 3.25Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.33Å
206	L	96.6	Very high	95.1	Very high	111 Å²	111	54.7 Å²	54.7	58%	0.581	32%	0.316	S	S	*	.	H	α-helix	trans	-60	-44.5	176.7	-178.9	65.7	0	0	0	112.1	A202 L203 I204 L209 A210	A202-L206 WeakPolarHBondContact O-CB 3.18Å; A202-L206 PolarHBondContact O-N 3.46Å; L203-L206 PolarHBondContact O-N 3.34Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.49Å; L206-L209 PolarHBondContact O-N 3.23Å; L206-A210 VanDerWaalsContact O-CB 3.3Å; L206-A210 WeakPolarHBondContact O-CB 3.38Å; L206-A210 PolarHBondContact O-N 3.06Å
207	L	96.3	Very high	94.9	Very high	24 Å²	24	55 Å²	55	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-39.7	178	-70.4	171.3	0	0	0	112	L203 I204 V205 A210 M211 F239 F361 L656 V657	L203-L207 HydrophobicContact CD1-CD1 4.34Å; L203-L207 HydrophobicContact CD1-CG 4.38Å; L203-L207 HydrophobicContact CG-CD1 4.2Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.04Å; L203-L207 PolarHBondContact O-N 3.08Å; I204-L207 PolarHBondContact O-N 3.41Å; V205-L207 PolarHBondContact O-N 3.5Å; L207-A210 PolarHBondContact O-N 2.9Å; L207-M211 VanDerWaalsContact O-CB 3.32Å; L207-M211 WeakPolarHBondContact O-CB 3.45Å; L207-M211 PolarHBondContact O-N 3.21Å; L207-F239 HydrophobicContact CD2-CE1 3.83Å; L207-F361 HydrophobicContact CD1-CD2 4.2Å; L207-F361 HydrophobicContact CD1-CE2 3.72Å; L207-F361 HydrophobicContact CD1-CZ 4.17Å; L207-L656 HydrophobicContact CB-CD2 4.18Å; L207-V657 HydrophobicContact CD1-CG2 3.92Å
208	V	96.6	Very high	94.6	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.291	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-47.1	175.4	170.7	0	0	0	0	110.4	I204 V205 A210 M211 L212 L656	I204-V208 HydrophobicContact CG2-CG2 4.23Å; I204-V208 WeakPolarHBondContact O-CB 3.42Å; I204-V208 VanDerWaalsContact O-CG2 3.28Å; I204-V208 WeakPolarHBondContact O-CG2 3.5Å; I204-V208 PolarHBondContact O-N 3.23Å; V205-V208 PolarHBondContact O-N 2.91Å; V208-A210 PolarHBondContact O-N 2.85Å; V208-M211 WeakPolarHBondContact O-CB 3.32Å; V208-M211 PolarHBondContact O-N 2.86Å; V208-L212 HydrophobicContact CG1-CD1 3.92Å; V208-L212 HydrophobicContact CG1-CG 4.3Å; V208-L212 WeakPolarHBondContact O-CB 3.02Å; V208-L212 VanDerWaalsContact O-CG 3.3Å; V208-L212 WeakPolarHBondContact O-CG 3.29Å; V208-L212 PolarHBondContact O-N 3.27Å; V208-L656 HydrophobicContact CG2-CD2 3.7Å
209	L	96.5	Very high	94.3	Very high	91 Å²	91	56.9 Å²	56.9	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-45.1	176.2	-70.8	174.9	0	0	0	111.2	V205 L206 M211 L212 C213	V205-L209 HydrophobicContact CG1-CD1 3.86Å; V205-L209 HydrophobicContact CG1-CG 4.24Å; V205-L209 WeakPolarHBondContact O-CB 3.2Å; V205-L209 VanDerWaalsContact O-CG 3.25Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.33Å; L206-L209 PolarHBondContact O-N 3.23Å; L209-M211 VanDerWaalsContact C-N 3.32Å; L209-M211 PolarHBondContact O-N 3.12Å; L209-L212 PolarHBondContact O-N 3.45Å; L209-C213 VanDerWaalsContact O-CB 3.31Å; L209-C213 WeakPolarHBondContact O-CB 3.35Å; L209-C213 PolarHBondContact O-N 3.42Å; L209-C213 PolarHBondContact O-SG 3.35Å
210	A	95	Very high	93.8	Very high	21 Å²	21	60.8 Å²	60.8	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-43.3	175.6	0	0	0	0	0	111.9	L206 L207 V208 A214 L236 F239	L206-A210 VanDerWaalsContact O-CB 3.3Å; L206-A210 WeakPolarHBondContact O-CB 3.38Å; L206-A210 PolarHBondContact O-N 3.06Å; L207-A210 PolarHBondContact O-N 2.9Å; V208-A210 PolarHBondContact O-N 2.85Å; A210-A214 WeakPolarHBondContact O-CB 3.26Å; A210-A214 PolarHBondContact O-N 3.13Å; A210-L236 HydrophobicContact CB-CD1 4.36Å; A210-F239 HydrophobicContact CB-CD1 4.32Å; A210-F239 HydrophobicContact CB-CG 4.32Å
211	M	95.7	Very high	92.8	Very high	32 Å²	32	61.6 Å²	61.6	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-46.9	175.9	178.1	-175.9	68.3	0	0	112	L207 V208 L209 T215 F239 A241 F655 L656	L207-M211 VanDerWaalsContact O-CB 3.32Å; L207-M211 WeakPolarHBondContact O-CB 3.45Å; L207-M211 PolarHBondContact O-N 3.21Å; V208-M211 WeakPolarHBondContact O-CB 3.32Å; V208-M211 PolarHBondContact O-N 2.86Å; L209-M211 VanDerWaalsContact C-N 3.32Å; L209-M211 PolarHBondContact O-N 3.12Å; M211-T215 VanDerWaalsContact O-CB 3.29Å; M211-T215 WeakPolarHBondContact O-CB 3.46Å; M211-T215 PolarHBondContact O-N 3.32Å; M211-T215 PolarHBondContact O-OG1 3.39Å; M211-F239 WeakPolarHBondContact CA-O 3.31Å; M211-F239 WeakPolarHBondContact CG-O 3.27Å; M211-A241 HydrophobicContact CG-CB 4.13Å; M211-A241 HydrophobicContact SD-CB 4.27Å; M211-F655 HydrophobicContact SD-CB 4.16Å; M211-L656 HydrophobicContact CE-CD2 4.23Å; M211-L656 HydrophobicContact SD-CD2 4.25Å
212	L	95.3	Very high	91.3	Very high	93 Å²	93	65.8 Å²	65.8	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-50.6	179.2	-70.2	175.1	0	0	0	111.1	V208 L209 A214 T215 V216	V208-L212 HydrophobicContact CG1-CD1 3.92Å; V208-L212 HydrophobicContact CG1-CG 4.3Å; V208-L212 WeakPolarHBondContact O-CB 3.02Å; V208-L212 VanDerWaalsContact O-CG 3.3Å; V208-L212 WeakPolarHBondContact O-CG 3.29Å; V208-L212 PolarHBondContact O-N 3.27Å; L209-L212 PolarHBondContact O-N 3.45Å; L212-A214 PolarHBondContact O-N 3.35Å; L212-T215 PolarHBondContact O-N 3.08Å; L212-T215 VanDerWaalsContact O-N 3.15Å; L212-V216 WeakPolarHBondContact O-CG2 2.87Å; L212-V216 PolarHBondContact O-N 2.71Å
213	C	94	Very high	89.3	Confident	66 Å²	66	67.7 Å²	67.7	45%	0.446	36%	0.36	S	S	.	.	H	α-helix	trans	-56.7	-47.7	176.3	-70	0	0	0	0	111.6	L209 T215 V216 I217	L209-C213 VanDerWaalsContact O-CB 3.31Å; L209-C213 WeakPolarHBondContact O-CB 3.35Å; L209-C213 PolarHBondContact O-N 3.42Å; L209-C213 PolarHBondContact O-SG 3.35Å; C213-T215 VanDerWaalsContact C-N 3.3Å; C213-T215 PolarHBondContact O-N 3.44Å; C213-V216 PolarHBondContact O-N 3.02Å; C213-I217 VanDerWaalsContact O-CG1 3.26Å; C213-I217 WeakPolarHBondContact O-CG1 3.43Å; C213-I217 PolarHBondContact O-N 3.21Å
214	A	92.9	Very high	87.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-36.7	178.2	0	0	0	0	0	112.7	A210 L212 D218 L236 F239	A210-A214 WeakPolarHBondContact O-CB 3.26Å; A210-A214 PolarHBondContact O-N 3.13Å; L212-A214 PolarHBondContact O-N 3.35Å; A214-D218 PolarHBondContact O-N 3.24Å; A214-L236 HydrophobicContact CB-CG 4.41Å; A214-L236 WeakPolarHBondContact CB-O 3.25Å; A214-F239 HydrophobicContact CB-CB 3.93Å
215	T	93.7	Very high	84.8	Confident	23 Å²	23	77.6 Å²	77.6	14%	0.141	41%	0.407	C	S	.	.	H	α-helix	trans	-68.5	-44.7	178	-57.6	0	0	0	0	111	M211 L212 C213 I217 D218 M219 A241 I242	M211-T215 VanDerWaalsContact O-CB 3.29Å; M211-T215 WeakPolarHBondContact O-CB 3.46Å; M211-T215 PolarHBondContact O-N 3.32Å; M211-T215 PolarHBondContact O-OG1 3.39Å; L212-T215 PolarHBondContact O-N 3.08Å; L212-T215 VanDerWaalsContact O-N 3.15Å; C213-T215 VanDerWaalsContact C-N 3.3Å; C213-T215 PolarHBondContact O-N 3.44Å; T215-I217 VanDerWaalsContact C-N 3.34Å; T215-I217 PolarHBondContact O-N 3.07Å; T215-D218 PolarHBondContact O-N 3.07Å; T215-M219 HydrophobicContact CG2-SD 4.3Å; T215-M219 VanDerWaalsContact O-CG 3.32Å; T215-M219 WeakPolarHBondContact O-CG 3.32Å; T215-M219 PolarHBondContact O-N 3.1Å; T215-A241 PolarHBondContact OG1-N 2.85Å; T215-I242 HydrophobicContact CG2-CD1 4.15Å; T215-I242 HydrophobicContact CG2-CG1 4.19Å
216	V	92.1	Very high	82.7	Confident	67 Å²	67	80.5 Å²	80.5	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-43.7	174.8	173	0	0	0	0	111	L212 C213 M219 R220	L212-V216 WeakPolarHBondContact O-CG2 2.87Å; L212-V216 PolarHBondContact O-N 2.71Å; C213-V216 PolarHBondContact O-N 3.02Å; V216-M219 PolarHBondContact O-N 3.19Å; V216-R220 WeakPolarHBondContact O-CG 2.9Å; V216-R220 PolarHBondContact O-N 3.16Å
217	I	89	Confident	80.6	Confident	51 Å²	51	80.8 Å²	80.8	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-59.7	-47.9	175.9	-69.7	164.7	0	0	0	110.6	C213 T215 M219 R220 A221 L233 L236 R237	C213-I217 VanDerWaalsContact O-CG1 3.26Å; C213-I217 WeakPolarHBondContact O-CG1 3.43Å; C213-I217 PolarHBondContact O-N 3.21Å; T215-I217 VanDerWaalsContact C-N 3.34Å; T215-I217 PolarHBondContact O-N 3.07Å; I217-M219 VanDerWaalsContact C-N 3.34Å; I217-M219 PolarHBondContact O-N 3.14Å; I217-R220 PolarHBondContact O-N 3.2Å; I217-A221 WeakPolarHBondContact O-CB 3.32Å; I217-A221 PolarHBondContact O-N 2.98Å; I217-L233 HydrophobicContact CD1-CD1 4.12Å; I217-L233 HydrophobicContact CG2-CD1 4.31Å; I217-L236 HydrophobicContact CD1-CD2 3.79Å; I217-R237 HydrophobicContact CG2-CG 3.94Å
218	D	87	Confident	78.6	Confident	16 Å²	16	84.8 Å²	84.8	9%	0.086	45%	0.449	C	S	.	.	H	α-helix	trans	-67.7	-32.5	-179.7	-96.8	-8.1	0	0	0	113.1	A214 T215 K222 R237 S240 R243	A214-D218 PolarHBondContact O-N 3.24Å; T215-D218 PolarHBondContact O-N 3.07Å; D218-K222 PolarHBondContact O-N 3.15Å; D218-R237 IonicContact OD1-CZ 3.94Å; D218-R237 IonicContact OD1-NE 3.4Å; D218-R237 PolarHBondContact OD1-NE 3.11Å; D218-R237 IonicContact OD1-NH2 2.81Å; D218-R237 PolarHBondContact OD1-NH2 3.31Å; D218-S240 WeakPolarHBondContact OD2-CB 3.32Å; D218-S240 PolarHBondContact OD2-OG 3.45Å; D218-R243 IonicContact OD1-CZ 2.85Å; D218-R243 IonicContact OD1-NE 2.87Å; D218-R243 IonicContact OD1-NH2 2.79Å; D218-R243 PolarHBondContact OD1-NH2 3.18Å; D218-R243 IonicContact OD2-CZ 2.97Å; D218-R243 IonicContact OD2-NE 3.66Å; D218-R243 PolarHBondContact OD2-NE 3.42Å; D218-R243 IonicContact OD2-NH2 2.9Å; D218-R243 PolarHBondContact OD2-NH2 3.27Å
219	M	87.8	Confident	77.1	Confident	124 Å²	124	84.2 Å²	84.2	61%	0.611	45%	0.445	S	S	*	.	H	α-helix	trans	-64.6	-43.5	172.3	-73.1	177.6	68	0	0	111.4	T215 V216 I217 I242	T215-M219 HydrophobicContact CG2-SD 4.3Å; T215-M219 VanDerWaalsContact O-CG 3.32Å; T215-M219 WeakPolarHBondContact O-CG 3.32Å; T215-M219 PolarHBondContact O-N 3.1Å; V216-M219 PolarHBondContact O-N 3.19Å; I217-M219 VanDerWaalsContact C-N 3.34Å; I217-M219 PolarHBondContact O-N 3.14Å; M219-I242 HydrophobicContact CG-CD1 3.69Å
220	R	85.6	Confident	76.2	Confident	185 Å²	185	90.2 Å²	90.2	70%	0.698	46%	0.461	S	S	*	.	H	α-helix	trans	-75	-36.3	178.7	-68.3	-179.6	-178.4	-171.9	0.9	112.8	V216 I217 K222 S223	V216-R220 WeakPolarHBondContact O-CG 2.9Å; V216-R220 PolarHBondContact O-N 3.16Å; I217-R220 PolarHBondContact O-N 3.2Å; R220-K222 VanDerWaalsContact C-N 3.29Å; R220-K222 PolarHBondContact O-N 3.11Å; R220-S223 WeakPolarHBondContact O-CA 3.44Å; R220-S223 WeakPolarHBondContact O-CB 3.45Å; R220-S223 PolarHBondContact O-N 3.38Å
221	A	73.7	Confident	75.7	Confident	25 Å²	25	94.2 Å²	94.2	21%	0.207	48%	0.478	C	S	.	.	H	α-helix	trans	-70.7	-19.1	-177.7	0	0	0	0	0	113.7	I217 S223 L224	I217-A221 WeakPolarHBondContact O-CB 3.32Å; I217-A221 PolarHBondContact O-N 2.98Å; A221-S223 PolarHBondContact O-N 2.67Å; A221-S223 VanDerWaalsContact O-N 3.12Å; A221-L224 CarbonylContact O-C 3.59Å; A221-L224 PolarHBondContact O-N 3.4Å; A221-L224 VanDerWaalsContact O-O 3.11Å
222	K	63.2	Low	75.1	Confident	167 Å²	167	99.2 Å²	99.2	73%	0.726	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.3	164.8	-82.7	-172.1	177.6	-177.6	0	112.5	D218 R220	D218-K222 PolarHBondContact O-N 3.15Å; R220-K222 VanDerWaalsContact C-N 3.29Å; R220-K222 PolarHBondContact O-N 3.11Å
223	S	55.5	Low	74.7	Confident	102 Å²	102	97.6 Å²	97.6	71%	0.713	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.2	172.9	-174	0	0	0	0	114.1	R220 A221	R220-S223 WeakPolarHBondContact O-CA 3.44Å; R220-S223 WeakPolarHBondContact O-CB 3.45Å; R220-S223 PolarHBondContact O-N 3.38Å; A221-S223 PolarHBondContact O-N 2.67Å; A221-S223 VanDerWaalsContact O-N 3.12Å
224	L	48.6	Very low	74.3	Confident	111 Å²	111	99.6 Å²	99.6	58%	0.581	49%	0.494	S	S	*	.			trans	-138.3	97.9	-169.1	-68.2	170.5	0	0	0	110.8	A221 Q226	A221-L224 CarbonylContact O-C 3.59Å; A221-L224 PolarHBondContact O-N 3.4Å; A221-L224 VanDerWaalsContact O-O 3.11Å; L224-Q226 VanDerWaalsContact C-N 3.26Å; L224-Q226 PolarHBondContact O-N 3.29Å
225	Q	49	Very low	74.1	Confident	201 Å²	201	101.9 Å²	101.9	94%	0.939	51%	0.506	S	S	*	.			trans	-81.9	66.6	176.1	-130.7	151.5	-6.7	0	0	110.2
226	Q	52.2	Low	73.9	Confident	133 Å²	133	103.4 Å²	103.4	62%	0.621	51%	0.513	S	S	*	.			trans	-93.6	121.1	177.9	-72.6	-115.5	-14.8	0	0	111	L224	L224-Q226 VanDerWaalsContact C-N 3.26Å; L224-Q226 PolarHBondContact O-N 3.29Å
227	P	54	Low	73.7	Confident	116 Å²	116	102.7 Å²	102.7	75%	0.753	50%	0.503	S	S	*	.	S	Bend	trans	-84.6	2	-175.4	-11.3	29	0	0	0	116.4
228	T	53.7	Low	73.8	Confident	108 Å²	108	101.4 Å²	101.4	66%	0.663	50%	0.496	S	S	*	.			trans	-103.6	45.6	-174.8	38.8	0	0	0	0	113.4	W230	T228-W230 PolarHBondContact O-N 3.03Å
229	D	64.3	Low	74.1	Confident	36 Å²	36	102.7 Å²	102.7	19%	0.193	50%	0.501	C	S	.	.			trans	-68.9	117.5	177	-77.4	-2.9	0	0	0	111.3	L233 R234 R237	D229-L233 HydrophobicContact CB-CD2 4.26Å; D229-L233 WeakPolarHBondContact OD1-CD2 3.42Å; D229-R234 HydrophobicContact CB-CG 3.69Å; D229-R234 PolarHBondContact O-NE 2.79Å; D229-R237 IonicContact OD2-CZ 2.65Å; D229-R237 IonicContact OD2-NH1 2.83Å; D229-R237 PolarHBondContact OD2-NH1 3.41Å
230	W	79	Confident	74.4	Confident	217 Å²	217	96.8 Å²	96.8	82%	0.822	47%	0.472	S	S	*	.			trans	-53.1	146.7	166.9	-69.5	56.5	0	0	0	110	T228 L232 L233 R234	T228-W230 PolarHBondContact O-N 3.03Å; W230-L232 PolarHBondContact O-N 3.17Å; W230-L232 VanDerWaalsContact O-N 3.13Å; W230-L233 WeakPolarHBondContact O-CB 3.19Å; W230-L233 PolarHBondContact O-N 2.94Å; W230-R234 PolarHBondContact O-N 2.85Å; W230-R234 VanDerWaalsContact O-N 3.12Å
231	M	82.7	Confident	74.7	Confident	106 Å²	106	89.2 Å²	89.2	52%	0.522	45%	0.449	S	S	.	.	H	α-helix	trans	-52.3	-40.4	-178.2	-176.9	64.8	76.5	0	0	112.3	L233 R234 L235	M231-L233 PolarHBondContact O-N 3.4Å; M231-R234 WeakPolarHBondContact O-CB 3.46Å; M231-R234 PolarHBondContact O-N 3.45Å; M231-L235 HydrophobicContact CG-CD1 4.28Å; M231-L235 WeakPolarHBondContact O-CG 3.38Å; M231-L235 PolarHBondContact O-N 3.48Å
232	L	84.8	Confident	75.5	Confident	137 Å²	137	90.7 Å²	90.7	72%	0.717	45%	0.453	S	S	*	.	H	α-helix	trans	-61.1	-43.3	178.4	-173.1	65.3	0	0	0	112.3	W230 R234 L235 L236	W230-L232 PolarHBondContact O-N 3.17Å; W230-L232 VanDerWaalsContact O-N 3.13Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 2.75Å; L232-L235 PolarHBondContact O-N 3.46Å; L232-L236 WeakPolarHBondContact O-CB 3.49Å; L232-L236 PolarHBondContact O-N 2.8Å
233	L	86.2	Confident	76.8	Confident	58 Å²	58	85.7 Å²	85.7	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-38.6	176.8	-173.6	62.8	0	0	0	111	I217 D229 W230 M231 L235 L236 R237	I217-L233 HydrophobicContact CD1-CD1 4.12Å; I217-L233 HydrophobicContact CG2-CD1 4.31Å; D229-L233 HydrophobicContact CB-CD2 4.26Å; D229-L233 WeakPolarHBondContact OD1-CD2 3.42Å; W230-L233 WeakPolarHBondContact O-CB 3.19Å; W230-L233 PolarHBondContact O-N 2.94Å; M231-L233 PolarHBondContact O-N 3.4Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.42Å; L233-L236 PolarHBondContact O-N 3.43Å; L233-R237 WeakPolarHBondContact O-CB 3.42Å; L233-R237 WeakPolarHBondContact O-CG 3.44Å; L233-R237 PolarHBondContact O-N 3.21Å
234	R	86	Confident	78.5	Confident	108 Å²	108	80.9 Å²	80.9	41%	0.408	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-36.8	175.3	-62.3	-177.1	-173	-161.4	-4.8	112.6	D229 W230 M231 L232 Q238 L667	D229-R234 HydrophobicContact CB-CG 3.69Å; D229-R234 PolarHBondContact O-NE 2.79Å; W230-R234 PolarHBondContact O-N 2.85Å; W230-R234 VanDerWaalsContact O-N 3.12Å; M231-R234 WeakPolarHBondContact O-CB 3.46Å; M231-R234 PolarHBondContact O-N 3.45Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 2.75Å; R234-Q238 WeakPolarHBondContact O-CG 3.31Å; R234-Q238 PolarHBondContact O-NE2 3.46Å; R234-L667 HydrophobicContact CB-CD2 4.32Å
235	L	88.2	Confident	80.6	Confident	48 Å²	48	77.8 Å²	77.8	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-71.9	-48.2	176.2	-70.2	172.1	0	0	0	111.2	M231 L232 L233 R237 Q238 I664 L667	M231-L235 HydrophobicContact CG-CD1 4.28Å; M231-L235 WeakPolarHBondContact O-CG 3.38Å; M231-L235 PolarHBondContact O-N 3.48Å; L232-L235 PolarHBondContact O-N 3.46Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.42Å; L235-R237 VanDerWaalsContact C-N 3.32Å; L235-R237 PolarHBondContact O-N 2.85Å; L235-Q238 VanDerWaalsContact O-CB 3.27Å; L235-Q238 WeakPolarHBondContact O-CB 3.48Å; L235-Q238 WeakPolarHBondContact O-CG 3.4Å; L235-Q238 PolarHBondContact O-N 2.97Å; L235-I664 HydrophobicContact CD2-CB 4.48Å; L235-I664 HydrophobicContact CD2-CG1 4.16Å; L235-I664 HydrophobicContact CD2-CG2 3.81Å; L235-L667 HydrophobicContact CD2-CD2 4.27Å
236	L	88.7	Confident	82.6	Confident	55 Å²	55	75.1 Å²	75.1	29%	0.288	36%	0.364	S	S	.	.	H	α-helix	trans	-57.3	-45.2	178.7	-178.2	62.7	0	0	0	111.3	A210 A214 I217 L232 L233 Q238 F239	A210-L236 HydrophobicContact CB-CD1 4.36Å; A214-L236 HydrophobicContact CB-CG 4.41Å; A214-L236 WeakPolarHBondContact CB-O 3.25Å; I217-L236 HydrophobicContact CD1-CD2 3.79Å; L232-L236 WeakPolarHBondContact O-CB 3.49Å; L232-L236 PolarHBondContact O-N 2.8Å; L233-L236 PolarHBondContact O-N 3.43Å; L236-Q238 PolarHBondContact O-N 2.91Å; L236-F239 WeakPolarHBondContact O-CB 3.47Å; L236-F239 PolarHBondContact O-N 3.45Å
237	R	89.3	Confident	84.3	Confident	52 Å²	52	71.8 Å²	71.8	20%	0.196	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59	-18.6	177.3	-71.7	176.1	72.9	-176.8	8.4	113.9	I217 D218 D229 L233 L235 F239 S240 R243	I217-R237 HydrophobicContact CG2-CG 3.94Å; D218-R237 IonicContact OD1-CZ 3.94Å; D218-R237 IonicContact OD1-NE 3.4Å; D218-R237 PolarHBondContact OD1-NE 3.11Å; D218-R237 IonicContact OD1-NH2 2.81Å; D218-R237 PolarHBondContact OD1-NH2 3.31Å; D229-R237 IonicContact OD2-CZ 2.65Å; D229-R237 IonicContact OD2-NH1 2.83Å; D229-R237 PolarHBondContact OD2-NH1 3.41Å; L233-R237 WeakPolarHBondContact O-CB 3.42Å; L233-R237 WeakPolarHBondContact O-CG 3.44Å; L233-R237 PolarHBondContact O-N 3.21Å; L235-R237 VanDerWaalsContact C-N 3.32Å; L235-R237 PolarHBondContact O-N 2.85Å; R237-F239 PolarHBondContact O-N 3.38Å; R237-S240 VanDerWaalsContact O-CB 3.26Å; R237-S240 WeakPolarHBondContact O-CB 3.32Å; R237-S240 PolarHBondContact O-N 2.81Å; R237-R243 VanDerWaalsContact NH2-NH2 3.12Å; R237-R243 WeakPolarHBondContact O-CD 3.43Å; R237-R243 PolarHBondContact O-NE 3.19Å
238	Q	90.8	Very high	86	Confident	25 Å²	25	67 Å²	67	12%	0.117	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-71.2	-19.4	174.9	-55.4	-45.3	-38.2	0	0	113.4	R234 L235 L236 S240 R243 P660 N663 I664	R234-Q238 WeakPolarHBondContact O-CG 3.31Å; R234-Q238 PolarHBondContact O-NE2 3.46Å; L235-Q238 VanDerWaalsContact O-CB 3.27Å; L235-Q238 WeakPolarHBondContact O-CB 3.48Å; L235-Q238 WeakPolarHBondContact O-CG 3.4Å; L235-Q238 PolarHBondContact O-N 2.97Å; L236-Q238 PolarHBondContact O-N 2.91Å; Q238-S240 PolarHBondContact O-N 3.02Å; Q238-R243 VanDerWaalsContact NE2-NH1 3.17Å; Q238-P660 WeakPolarHBondContact O-CA 3.24Å; Q238-N663 HydrophobicContact CB-CB 3.81Å; Q238-N663 HydrophobicContact CG-CB 4.13Å; Q238-N663 PolarHBondContact O-ND2 2.86Å; Q238-I664 HydrophobicContact CB-CD1 4.48Å; Q238-I664 HydrophobicContact CB-CG1 3.74Å; Q238-I664 HydrophobicContact CG-CG1 3.89Å
239	F	93	Very high	87.7	Confident	43 Å²	43	68.6 Å²	68.6	19%	0.189	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-77.9	-6.5	174.3	-73.1	-93.1	0	0	0	113.7	L207 A210 M211 A214 L236 R237 A241 P660 I664	L207-F239 HydrophobicContact CD2-CE1 3.83Å; A210-F239 HydrophobicContact CB-CD1 4.32Å; A210-F239 HydrophobicContact CB-CG 4.32Å; M211-F239 WeakPolarHBondContact CA-O 3.31Å; M211-F239 WeakPolarHBondContact CG-O 3.27Å; A214-F239 HydrophobicContact CB-CB 3.93Å; L236-F239 WeakPolarHBondContact O-CB 3.47Å; L236-F239 PolarHBondContact O-N 3.45Å; R237-F239 PolarHBondContact O-N 3.38Å; F239-A241 PolarHBondContact O-N 3.05Å; F239-P660 HydrophobicContact CB-CB 4.39Å; F239-P660 HydrophobicContact CB-CG 4.43Å; F239-P660 HydrophobicContact CD1-CB 3.46Å; F239-P660 VanDerWaalsContact CD1-CB 3.46Å; F239-P660 HydrophobicContact CD1-CG 3.7Å; F239-P660 HydrophobicContact CD2-CB 4.31Å; F239-P660 HydrophobicContact CE1-CB 3.67Å; F239-P660 HydrophobicContact CE1-CG 4.23Å; F239-P660 HydrophobicContact CG-CB 3.81Å; F239-P660 HydrophobicContact CG-CG 4.22Å; F239-P660 HydrophobicContact CZ-CB 4.21Å; F239-I664 HydrophobicContact CD2-CD1 4.42Å; F239-I664 HydrophobicContact CE2-CD1 3.66Å; F239-I664 HydrophobicContact CZ-CD1 4.09Å
240	S	93.1	Very high	88.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	32%	0.319	C	S	.	.			trans	-59.7	124.6	-179.4	169.4	0	0	0	0	112.3	D218 R237 Q238 I242 R243 S244	D218-S240 WeakPolarHBondContact OD2-CB 3.32Å; D218-S240 PolarHBondContact OD2-OG 3.45Å; R237-S240 VanDerWaalsContact O-CB 3.26Å; R237-S240 WeakPolarHBondContact O-CB 3.32Å; R237-S240 PolarHBondContact O-N 2.81Å; Q238-S240 PolarHBondContact O-N 3.02Å; S240-I242 PolarHBondContact O-N 3.48Å; S240-R243 PolarHBondContact O-N 3.13Å; S240-S244 PolarHBondContact O-N 3.03Å; S240-S244 VanDerWaalsContact O-N 3.16Å
241	A	93.1	Very high	88.1	Confident	26 Å²	26	63.5 Å²	63.5	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-30.8	-180	0	0	0	0	0	111.8	M211 T215 F239 R243 S244 C245 F655	M211-A241 HydrophobicContact CG-CB 4.13Å; M211-A241 HydrophobicContact SD-CB 4.27Å; T215-A241 PolarHBondContact OG1-N 2.85Å; F239-A241 PolarHBondContact O-N 3.05Å; A241-R243 VanDerWaalsContact C-N 3.33Å; A241-R243 PolarHBondContact O-N 3.43Å; A241-S244 PolarHBondContact O-N 2.8Å; A241-C245 WeakPolarHBondContact O-CB 3.27Å; A241-C245 PolarHBondContact O-N 3.09Å; A241-F655 HydrophobicContact CB-CD1 4.36Å
242	I	91	Very high	87	Confident	56 Å²	56	61.4 Å²	61.4	29%	0.287	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-41.3	176.7	-63.1	168.4	0	0	0	110.6	T215 M219 S240 R246	T215-I242 HydrophobicContact CG2-CD1 4.15Å; T215-I242 HydrophobicContact CG2-CG1 4.19Å; M219-I242 HydrophobicContact CG-CD1 3.69Å; S240-I242 PolarHBondContact O-N 3.48Å; I242-R246 WeakPolarHBondContact O-CG 3.17Å; I242-R246 PolarHBondContact O-N 3.15Å
243	R	89.9	Confident	85	Confident	62 Å²	62	58.4 Å²	58.4	23%	0.234	31%	0.307	C	S	.	.	H	α-helix	trans	-70.7	-45.2	178.5	-64.2	-173.2	-172.4	-163.6	-2	111.8	D218 R237 Q238 S240 A241 C245 R246 R247	D218-R243 IonicContact OD1-CZ 2.85Å; D218-R243 IonicContact OD1-NE 2.87Å; D218-R243 IonicContact OD1-NH2 2.79Å; D218-R243 PolarHBondContact OD1-NH2 3.18Å; D218-R243 IonicContact OD2-CZ 2.97Å; D218-R243 IonicContact OD2-NE 3.66Å; D218-R243 PolarHBondContact OD2-NE 3.42Å; D218-R243 IonicContact OD2-NH2 2.9Å; D218-R243 PolarHBondContact OD2-NH2 3.27Å; R237-R243 VanDerWaalsContact NH2-NH2 3.12Å; R237-R243 WeakPolarHBondContact O-CD 3.43Å; R237-R243 PolarHBondContact O-NE 3.19Å; Q238-R243 VanDerWaalsContact NE2-NH1 3.17Å; S240-R243 PolarHBondContact O-N 3.13Å; A241-R243 VanDerWaalsContact C-N 3.33Å; A241-R243 PolarHBondContact O-N 3.43Å; R243-C245 VanDerWaalsContact C-N 3.29Å; R243-C245 PolarHBondContact O-N 3.31Å; R243-R246 PolarHBondContact O-N 2.86Å; R243-R247 WeakPolarHBondContact O-CB 3.48Å; R243-R247 PolarHBondContact O-N 3.03Å
244	S	92.1	Very high	83	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-43.3	174.6	-63.8	0	0	0	0	110.8	S240 A241 R247 L248 F654	S240-S244 PolarHBondContact O-N 3.03Å; S240-S244 VanDerWaalsContact O-N 3.16Å; A241-S244 PolarHBondContact O-N 2.8Å; S244-R247 WeakPolarHBondContact O-CB 3.3Å; S244-R247 PolarHBondContact O-N 3.24Å; S244-L248 PolarHBondContact O-N 3.28Å; S244-F654 WeakPolarHBondContact O-CE1 3.45Å
245	C	92.4	Very high	80.7	Confident	47 Å²	47	63.1 Å²	63.1	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-49.6	176.5	-176.1	0	0	0	0	111.2	A241 R243 R247 L248 W249 F655	A241-C245 WeakPolarHBondContact O-CB 3.27Å; A241-C245 PolarHBondContact O-N 3.09Å; R243-C245 VanDerWaalsContact C-N 3.29Å; R243-C245 PolarHBondContact O-N 3.31Å; C245-R247 VanDerWaalsContact C-N 3.27Å; C245-R247 PolarHBondContact O-N 3Å; C245-L248 VanDerWaalsContact O-CB 3.28Å; C245-L248 WeakPolarHBondContact O-CB 3.49Å; C245-L248 PolarHBondContact O-N 3.34Å; C245-W249 PolarHBondContact O-N 3.44Å; C245-F655 HydrophobicContact CB-CE1 3.93Å; C245-F655 HydrophobicContact CB-CZ 4.22Å
246	R	90.3	Very high	78.7	Confident	145 Å²	145	62.6 Å²	62.6	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-55.2	-45	175	-74.4	178	-170.5	-177.1	1.3	111.9	I242 R243 L248 W249 T250	I242-R246 WeakPolarHBondContact O-CG 3.17Å; I242-R246 PolarHBondContact O-N 3.15Å; R243-R246 PolarHBondContact O-N 2.86Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 3.07Å; R246-W249 PolarHBondContact O-N 2.99Å; R246-T250 VanDerWaalsContact O-CG2 3.27Å; R246-T250 WeakPolarHBondContact O-CG2 3.18Å; R246-T250 PolarHBondContact O-N 3.39Å; R246-T250 PolarHBondContact O-OG1 2.74Å
247	R	87.7	Confident	77.3	Confident	63 Å²	63	62.4 Å²	62.4	24%	0.238	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-34.3	178.2	-178.2	170.5	166.1	-155.4	-17.6	112.9	R243 S244 C245 W249 T250 N597 G659 G662 N663	R243-R247 WeakPolarHBondContact O-CB 3.48Å; R243-R247 PolarHBondContact O-N 3.03Å; S244-R247 WeakPolarHBondContact O-CB 3.3Å; S244-R247 PolarHBondContact O-N 3.24Å; C245-R247 VanDerWaalsContact C-N 3.27Å; C245-R247 PolarHBondContact O-N 3Å; R247-W249 VanDerWaalsContact C-N 3.33Å; R247-T250 WeakPolarHBondContact CA-OG1 3.49Å; R247-T250 PolarHBondContact O-OG1 3.39Å; R247-N597 PolarHBondContact O-ND2 2.94Å; R247-G659 PolarHBondContact NH1-O 2.84Å; R247-G662 VanDerWaalsContact NH1-CA 3.28Å; R247-N663 WeakPolarHBondContact CD-OD1 3.36Å; R247-N663 PolarHBondContact NH1-OD1 3.14Å
248	L	90.6	Very high	76.7	Confident	14 Å²	14	60.5 Å²	60.5	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-40.3	176.6	-178.1	64.7	0	0	0	111.7	S244 C245 R246 P594 N597 L598 F654 F655	S244-L248 PolarHBondContact O-N 3.28Å; C245-L248 VanDerWaalsContact O-CB 3.28Å; C245-L248 WeakPolarHBondContact O-CB 3.49Å; C245-L248 PolarHBondContact O-N 3.34Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 3.07Å; L248-P594 HydrophobicContact CD1-CB 4.32Å; L248-P594 WeakPolarHBondContact CD1-O 2.81Å; L248-P594 HydrophobicContact CG-CB 4.09Å; L248-P594 WeakPolarHBondContact O-CA 3.22Å; L248-N597 HydrophobicContact CD1-CB 3.98Å; L248-N597 PolarHBondContact O-ND2 3.43Å; L248-L598 HydrophobicContact CD1-CD1 4.25Å; L248-L598 HydrophobicContact CD1-CD2 3.72Å; L248-L598 HydrophobicContact CD1-CG 3.66Å; L248-F654 HydrophobicContact CB-CE1 3.87Å; L248-F654 HydrophobicContact CB-CZ 4.16Å; L248-F654 HydrophobicContact CD1-CD1 4.41Å; L248-F654 HydrophobicContact CD1-CE1 4.17Å; L248-F654 HydrophobicContact CD1-CZ 4.26Å; L248-F655 HydrophobicContact CD2-CE2 4.44Å; L248-F655 HydrophobicContact CD2-CZ 4.23Å
249	W	89.5	Confident	76.4	Confident	143 Å²	143	60.6 Å²	60.6	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-90	-14.3	-176.5	-69	102	0	0	0	114.9	C245 R246 R247 P594	C245-W249 PolarHBondContact O-N 3.44Å; R246-W249 PolarHBondContact O-N 2.99Å; R247-W249 VanDerWaalsContact C-N 3.33Å; W249-P594 HydrophobicContact CE3-CB 4.4Å; W249-P594 HydrophobicContact CE3-CG 4.16Å; W249-P594 HydrophobicContact CH2-CG 4.33Å; W249-P594 HydrophobicContact CZ3-CB 4.48Å; W249-P594 HydrophobicContact CZ3-CG 3.92Å
250	T	83.9	Confident	76.3	Confident	69 Å²	69	58.5 Å²	58.5	42%	0.423	34%	0.335	S	S	.	.	S	Bend	trans	-86	127.2	175.8	52.2	0	0	0	0	110.6	R246 R247 G252 N597	R246-T250 VanDerWaalsContact O-CG2 3.27Å; R246-T250 WeakPolarHBondContact O-CG2 3.18Å; R246-T250 PolarHBondContact O-N 3.39Å; R246-T250 PolarHBondContact O-OG1 2.74Å; R247-T250 WeakPolarHBondContact CA-OG1 3.49Å; R247-T250 PolarHBondContact O-OG1 3.39Å; T250-G252 PolarHBondContact O-N 3.1Å; T250-N597 PolarHBondContact O-ND2 3.48Å
251	D	67.8	Low	76.3	Confident	76 Å²	76	59.1 Å²	59.1	41%	0.406	34%	0.337	S	S	.	.			trans	-53.4	120.6	150.6	-59	-35.4	0	0	0	105.5	G253 H262 V593	D251-G253 PolarHBondContact O-N 3.25Å; D251-H262 IonicContact OD1-NE2 2.87Å; D251-V593 WeakPolarHBondContact OD1-CG1 3.43Å; D251-V593 WeakPolarHBondContact OD1-CG2 3.4Å
252	G	57.9	Low	76.3	Confident	62 Å²	62	58.6 Å²	58.6	64%	0.639	33%	0.331	S	S	*	.			trans	-68.1	45.4	-159.2	0	0	0	0	0	117	T250 S254	T250-G252 PolarHBondContact O-N 3.1Å; G252-S254 PolarHBondContact O-N 3.09Å
253	G	44.5	Very low	76.5	Confident	75 Å²	75	55.9 Å²	55.9	77%	0.773	32%	0.317	S	S	*	.	S	Bend	trans	67	-11.3	162.8	0	0	0	0	0	115.8	D251 Q255	D251-G253 PolarHBondContact O-N 3.25Å; G253-Q255 PolarHBondContact O-N 3.13Å
254	S	43.3	Very low	76.8	Confident	58 Å²	58	53 Å²	53	41%	0.406	31%	0.306	S	S	.	.			trans	-77.8	126.6	174.2	82.1	0	0	0	0	107.9	G252 S256 S257	G252-S254 PolarHBondContact O-N 3.09Å; S254-S256 WeakPolarHBondContact CB-OG 3.41Å; S254-S256 PolarHBondContact O-N 3.38Å; S254-S256 WeakPolarHBondContact OG-CB 3.47Å; S254-S256 PolarHBondContact OG-OG 3.28Å; S254-S257 PolarHBondContact O-N 3.29Å
255	Q	37	Very low	76.9	Confident	207 Å²	207	55.9 Å²	55.9	97%	0.967	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	28.7	165.6	-72	172.9	-37.7	0	0	112.7	G253	G253-Q255 PolarHBondContact O-N 3.13Å
256	S	46.3	Very low	77.1	Confident	37 Å²	37	54 Å²	54	26%	0.259	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.6	-4.4	-153.6	111.9	0	0	0	0	111.3	S254 Y324	S254-S256 WeakPolarHBondContact CB-OG 3.41Å; S254-S256 PolarHBondContact O-N 3.38Å; S254-S256 WeakPolarHBondContact OG-CB 3.47Å; S254-S256 PolarHBondContact OG-OG 3.28Å; S256-Y324 VanDerWaalsContact CB-CE1 3.47Å; S256-Y324 WeakPolarHBondContact O-CE1 3.37Å
257	S	58.8	Low	77.4	Confident	51 Å²	51	47.9 Å²	47.9	36%	0.357	28%	0.282	S	S	.	.			trans	-86	109	172.7	55.8	0	0	0	0	109.4	S254 G259	S254-S257 PolarHBondContact O-N 3.29Å; S257-G259 PolarHBondContact O-N 3.15Å
258	V	77	Confident	77.8	Confident	12 Å²	12	45 Å²	45	7%	0.073	27%	0.272	C	S	.	.			trans	-61.8	110.8	167.2	-172.7	0	0	0	0	107.4	C260 L261 L509 I572 H576	V258-C260 VanDerWaalsContact CG1-SG 3.5Å; V258-C260 PolarHBondContact O-N 3.39Å; V258-C260 VanDerWaalsContact O-N 3.11Å; V258-L261 HydrophobicContact CB-CD1 4.03Å; V258-L261 HydrophobicContact CB-CG 4.08Å; V258-L261 VanDerWaalsContact O-CB 3.32Å; V258-L261 WeakPolarHBondContact O-CB 3.49Å; V258-L261 WeakPolarHBondContact O-CG 3.38Å; V258-L261 PolarHBondContact O-N 3.14Å; V258-L509 HydrophobicContact CG2-CD2 3.82Å; V258-I572 HydrophobicContact CG1-CG2 4.07Å; V258-H576 HydrophobicContact CG1-CB 4.18Å
259	G	85.4	Confident	78	Confident	26 Å²	26	44.3 Å²	44.3	27%	0.268	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.4	-169.2	0	0	0	0	0	114.1	S257 L261 H262	S257-G259 PolarHBondContact O-N 3.15Å; G259-L261 PolarHBondContact O-N 3.13Å; G259-L261 VanDerWaalsContact O-N 3.15Å; G259-H262 PolarHBondContact O-CD2 3.11Å; G259-H262 PolarHBondContact O-N 3.26Å
260	C	91.3	Very high	78.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-21.3	178	71.6	0	0	0	0	114	V258 H262 G263 I264 C575 F587	V258-C260 VanDerWaalsContact CG1-SG 3.5Å; V258-C260 PolarHBondContact O-N 3.39Å; V258-C260 VanDerWaalsContact O-N 3.11Å; C260-H262 PolarHBondContact O-N 3.29Å; C260-H262 VanDerWaalsContact O-N 3.16Å; C260-G263 PolarHBondContact O-N 3.39Å; C260-I264 HydrophobicContact CB-CD1 4.46Å; C260-I264 VanDerWaalsContact O-CG1 3.27Å; C260-I264 WeakPolarHBondContact O-CG1 3.44Å; C260-I264 PolarHBondContact O-N 3.31Å; C260-I264 VanDerWaalsContact O-N 3.14Å; C260-C575 HydrophobicContact CB-CB 3.73Å; C260-C575 WeakPolarHBondContact SG-CB 3.31Å; C260-F587 HydrophobicContact CB-CB 3.72Å; C260-F587 WeakPolarHBondContact O-CB 3.41Å
261	L	93.2	Very high	78.8	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-25.1	178.1	-65.8	175.8	0	0	0	112.4	V258 G259 R265 I317 L321 I572	V258-L261 HydrophobicContact CB-CD1 4.03Å; V258-L261 HydrophobicContact CB-CG 4.08Å; V258-L261 VanDerWaalsContact O-CB 3.32Å; V258-L261 WeakPolarHBondContact O-CB 3.49Å; V258-L261 WeakPolarHBondContact O-CG 3.38Å; V258-L261 PolarHBondContact O-N 3.14Å; G259-L261 PolarHBondContact O-N 3.13Å; G259-L261 VanDerWaalsContact O-N 3.15Å; L261-R265 WeakPolarHBondContact O-CB 3.24Å; L261-R265 WeakPolarHBondContact O-CD 3.41Å; L261-R265 WeakPolarHBondContact O-CG 3.37Å; L261-R265 PolarHBondContact O-N 3Å; L261-R265 VanDerWaalsContact O-N 3.1Å; L261-I317 HydrophobicContact CD2-CD1 4.35Å; L261-I317 HydrophobicContact CD2-CG1 4.03Å; L261-I317 HydrophobicContact CD2-CG2 4.31Å; L261-L321 HydrophobicContact CD1-CD1 4.34Å; L261-L321 HydrophobicContact CD1-CD2 3.85Å; L261-L321 HydrophobicContact CD1-CG 4.35Å; L261-I572 HydrophobicContact CD2-CD1 3.9Å; L261-I572 HydrophobicContact CD2-CG1 4.25Å; L261-I572 HydrophobicContact CD2-CG2 4.34Å
262	H	93.2	Very high	80.1	Confident	15 Å²	15	31.5 Å²	31.5	7%	0.069	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-56.3	177.8	-70.2	-62.7	0	0	0	111.4	D251 G259 C260 I264 R265 V266 W592 S596	D251-H262 IonicContact OD1-NE2 2.87Å; G259-H262 PolarHBondContact O-CD2 3.11Å; G259-H262 PolarHBondContact O-N 3.26Å; C260-H262 PolarHBondContact O-N 3.29Å; C260-H262 VanDerWaalsContact O-N 3.16Å; H262-I264 PolarHBondContact O-N 3.35Å; H262-R265 PolarHBondContact O-N 2.81Å; H262-V266 WeakPolarHBondContact O-CG2 3.18Å; H262-V266 PolarHBondContact O-N 3.38Å; H262-W592 HydrophobicContact CB-CB 3.9Å; H262-S596 WeakPolarHBondContact CA-OG 3.32Å; H262-S596 VanDerWaalsContact ND1-CB 3.27Å; H262-S596 WeakPolarHBondContact ND1-CB 3.24Å; H262-S596 PolarHBondContact ND1-OG 3.5Å; H262-S596 VanDerWaalsContact ND1-OG 3.1Å
263	G	95	Very high	81.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-41.2	178.1	0	0	0	0	0	112.5	C260 R265 V266 T267 F587 W592	C260-G263 PolarHBondContact O-N 3.39Å; G263-R265 PolarHBondContact O-N 3.26Å; G263-V266 PolarHBondContact O-N 3.06Å; G263-T267 WeakPolarHBondContact O-CG2 3.24Å; G263-T267 PolarHBondContact O-N 2.99Å; G263-T267 PolarHBondContact O-OG1 2.99Å; G263-F587 WeakPolarHBondContact CA-O 3.41Å; G263-F587 PolarHBondContact N-O 2.89Å; G263-W592 VanDerWaalsContact CA-CG 3.48Å
264	I	95.5	Very high	84.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-50	179	-64.9	168.9	0	0	0	110.6	C260 H262 V266 T267 T268 T313 I317 W568 I572 F587	C260-I264 HydrophobicContact CB-CD1 4.46Å; C260-I264 VanDerWaalsContact O-CG1 3.27Å; C260-I264 WeakPolarHBondContact O-CG1 3.44Å; C260-I264 PolarHBondContact O-N 3.31Å; C260-I264 VanDerWaalsContact O-N 3.14Å; H262-I264 PolarHBondContact O-N 3.35Å; I264-V266 VanDerWaalsContact C-N 3.33Å; I264-V266 PolarHBondContact O-N 3.2Å; I264-T267 PolarHBondContact O-N 2.89Å; I264-T267 PolarHBondContact O-OG1 3.41Å; I264-T268 WeakPolarHBondContact O-CB 3.49Å; I264-T268 PolarHBondContact O-N 3.43Å; I264-T268 PolarHBondContact O-OG1 3.2Å; I264-T313 HydrophobicContact CG2-CG2 3.79Å; I264-I317 HydrophobicContact CG2-CD1 3.89Å; I264-W568 HydrophobicContact CB-CZ3 4.32Å; I264-W568 HydrophobicContact CD1-CE3 4.03Å; I264-W568 HydrophobicContact CD1-CZ3 3.68Å; I264-W568 HydrophobicContact CG1-CE3 4.45Å; I264-W568 HydrophobicContact CG1-CH2 4.31Å; I264-W568 HydrophobicContact CG1-CZ3 3.68Å; I264-W568 HydrophobicContact CG2-CE3 4.11Å; I264-W568 HydrophobicContact CG2-CH2 3.91Å; I264-W568 HydrophobicContact CG2-CZ3 3.68Å; I264-I572 HydrophobicContact CD1-CD1 4.46Å; I264-I572 HydrophobicContact CD1-CG1 3.82Å; I264-F587 HydrophobicContact CG1-CD1 4Å; I264-F587 HydrophobicContact CG1-CD2 4.31Å; I264-F587 HydrophobicContact CG1-CE1 4.13Å; I264-F587 HydrophobicContact CG1-CE2 4.45Å; I264-F587 HydrophobicContact CG1-CG 4.09Å; I264-F587 HydrophobicContact CG1-CZ 4.35Å
265	R	95.1	Very high	86.6	Confident	62 Å²	62	22.5 Å²	22.5	23%	0.234	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-44.2	179.2	-74.2	172.2	176.2	177.5	1.8	112.6	L261 H262 G263 M269 F314 I317 S596 T599	L261-R265 WeakPolarHBondContact O-CB 3.24Å; L261-R265 WeakPolarHBondContact O-CD 3.41Å; L261-R265 WeakPolarHBondContact O-CG 3.37Å; L261-R265 PolarHBondContact O-N 3Å; L261-R265 VanDerWaalsContact O-N 3.1Å; H262-R265 PolarHBondContact O-N 2.81Å; G263-R265 PolarHBondContact O-N 3.26Å; R265-M269 VanDerWaalsContact O-CB 3.32Å; R265-M269 WeakPolarHBondContact O-CB 3.36Å; R265-M269 PolarHBondContact O-N 3.48Å; R265-F314 HydrophobicContact CB-CE1 4.19Å; R265-F314 HydrophobicContact CG-CE1 3.96Å; R265-I317 HydrophobicContact CG-CD1 4.15Å; R265-S596 WeakPolarHBondContact CD-OG 3.4Å; R265-T599 HydrophobicContact CB-CG2 4.42Å
266	V	96.5	Very high	89.2	Confident	7 Å²	7	14.2 Å²	14.2	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-68.3	-44.9	-178	176.4	0	0	0	0	110.8	H262 G263 I264 M269 A270 W592 L595	H262-V266 WeakPolarHBondContact O-CG2 3.18Å; H262-V266 PolarHBondContact O-N 3.38Å; G263-V266 PolarHBondContact O-N 3.06Å; I264-V266 VanDerWaalsContact C-N 3.33Å; I264-V266 PolarHBondContact O-N 3.2Å; V266-M269 PolarHBondContact O-N 3.36Å; V266-A270 PolarHBondContact O-N 3.39Å; V266-W592 HydrophobicContact CB-CE3 3.74Å; V266-W592 HydrophobicContact CB-CZ3 4.13Å; V266-W592 HydrophobicContact CG1-CE3 3.53Å; V266-W592 HydrophobicContact CG1-CZ3 3.51Å; V266-W592 HydrophobicContact CG2-CE3 4.16Å; V266-L595 HydrophobicContact CG1-CB 4.13Å; V266-L595 HydrophobicContact CG1-CD1 4.19Å; V266-L595 HydrophobicContact CG2-CB 3.61Å
267	T	95.5	Very high	91.5	Very high	16 Å²	16	12.6 Å²	12.6	10%	0.098	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-39.9	178.1	52.7	0	0	0	0	112.1	G263 I264 A270 W271 F587	G263-T267 WeakPolarHBondContact O-CG2 3.24Å; G263-T267 PolarHBondContact O-N 2.99Å; G263-T267 PolarHBondContact O-OG1 2.99Å; I264-T267 PolarHBondContact O-N 2.89Å; I264-T267 PolarHBondContact O-OG1 3.41Å; T267-A270 PolarHBondContact O-N 2.91Å; T267-W271 WeakPolarHBondContact O-CB 2.96Å; T267-W271 PolarHBondContact O-N 3.22Å; T267-F587 HydrophobicContact CG2-CE1 4.2Å
268	T	95.6	Very high	93.1	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-66.3	-38.9	175.5	-56.9	0	0	0	0	111.1	I264 W271 I272 R310 T313 F314	I264-T268 WeakPolarHBondContact O-CB 3.49Å; I264-T268 PolarHBondContact O-N 3.43Å; I264-T268 PolarHBondContact O-OG1 3.2Å; T268-W271 WeakPolarHBondContact O-CB 3.44Å; T268-W271 PolarHBondContact O-N 3.3Å; T268-I272 HydrophobicContact CG2-CD1 4.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.45Å; T268-I272 PolarHBondContact O-N 3.2Å; T268-R310 WeakPolarHBondContact CG2-O 3.17Å; T268-T313 HydrophobicContact CG2-CG2 4.35Å; T268-F314 HydrophobicContact CG2-CD2 3.73Å; T268-F314 HydrophobicContact CG2-CE2 3.42Å; T268-F314 VanDerWaalsContact CG2-CE2 3.42Å; T268-F314 HydrophobicContact CG2-CZ 4.2Å
269	M	96	Very high	93.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-44.7	176	-177	59.5	-149.6	0	0	112.3	R265 V266 W271 I272 M273 F314 T599 Y603 H606	R265-M269 VanDerWaalsContact O-CB 3.32Å; R265-M269 WeakPolarHBondContact O-CB 3.36Å; R265-M269 PolarHBondContact O-N 3.48Å; V266-M269 PolarHBondContact O-N 3.36Å; M269-W271 PolarHBondContact O-N 3.46Å; M269-I272 PolarHBondContact O-N 2.84Å; M269-M273 HydrophobicContact CE-CE 3.69Å; M269-M273 WeakPolarHBondContact O-CB 3.35Å; M269-M273 PolarHBondContact O-N 2.48Å; M269-F314 HydrophobicContact CB-CZ 4.49Å; M269-T599 HydrophobicContact CB-CG2 3.86Å; M269-T599 HydrophobicContact CG-CG2 4.1Å; M269-Y603 HydrophobicContact CE-CD2 4.42Å; M269-Y603 HydrophobicContact SD-CD2 4.02Å; M269-Y603 HydrophobicContact SD-CG 4.43Å; M269-H606 HydrophobicContact CE-CB 3.74Å
270	A	96.1	Very high	93.8	Very high	12 Å²	12	10.1 Å²	10.1	10%	0.099	5%	0.05	C	C	.	.	H	α-helix	trans	-59.6	-39.8	175	0	0	0	0	0	111.2	V266 T267 M273 A274 L643	V266-A270 PolarHBondContact O-N 3.39Å; T267-A270 PolarHBondContact O-N 2.91Å; A270-M273 PolarHBondContact O-N 2.8Å; A270-A274 WeakPolarHBondContact O-CB 3.48Å; A270-A274 PolarHBondContact O-N 2.93Å; A270-L643 HydrophobicContact CB-CD1 4.11Å
271	W	94.8	Very high	93.8	Very high	6 Å²	6	10.4 Å²	10.4	2%	0.023	5%	0.052	C	C	.	.	H	α-helix	trans	-64.7	-48.3	175.5	179.9	22.7	0	0	0	112.9	T267 T268 M269 M273 A274 S275 Y303 F309 R310 L537 W564	T267-W271 WeakPolarHBondContact O-CB 2.96Å; T267-W271 PolarHBondContact O-N 3.22Å; T268-W271 WeakPolarHBondContact O-CB 3.44Å; T268-W271 PolarHBondContact O-N 3.3Å; M269-W271 PolarHBondContact O-N 3.46Å; W271-M273 PolarHBondContact O-N 2.91Å; W271-A274 PolarHBondContact O-N 3.45Å; W271-S275 PolarHBondContact O-N 3.34Å; W271-S275 VanDerWaalsContact O-N 3.1Å; W271-S275 PolarHBondContact O-OG 2.67Å; W271-Y303 AromaticContact CD1-CE1 3.56Å; W271-Y303 AromaticContact CD1-CZ 3.84Å; W271-Y303 HydrophobicContact CD2-CE1 4.17Å; W271-Y303 AromaticContact CD2-CE2 3.92Å; W271-Y303 HydrophobicContact CD2-CE2 3.92Å; W271-Y303 AromaticContact CD2-CZ 3.63Å; W271-Y303 AromaticContact CE2-CE2 3.72Å; W271-Y303 AromaticContact CE2-CZ 3.74Å; W271-Y303 HydrophobicContact CE3-CE2 4.25Å; W271-Y303 AromaticContact CG-CE1 3.85Å; W271-Y303 HydrophobicContact CG-CE1 3.85Å; W271-Y303 HydrophobicContact CG-CE2 4.44Å; W271-Y303 AromaticContact CG-CZ 3.69Å; W271-Y303 HydrophobicContact CH2-CE2 4.28Å; W271-Y303 AromaticContact CZ2-CD2 3.99Å; W271-Y303 HydrophobicContact CZ2-CD2 3.99Å; W271-Y303 AromaticContact CZ2-CE2 3.92Å; W271-Y303 HydrophobicContact CZ2-CE2 3.92Å; W271-Y303 VanDerWaalsContact CZ2-O 3.25Å; W271-Y303 WeakPolarHBondContact CZ2-O 3.29Å; W271-Y303 HydrophobicContact CZ3-CE2 4.43Å; W271-Y303 AromaticContact NE1-CD1 3.86Å; W271-Y303 AromaticContact NE1-CE1 3.7Å; W271-Y303 AromaticContact NE1-CZ 3.87Å; W271-Y303 PolarHBondContact NE1-O 3.42Å; W271-F309 HydrophobicContact CH2-CB 4.43Å; W271-R310 HydrophobicContact CD2-CB 4.39Å; W271-R310 HydrophobicContact CD2-CG 3.71Å; W271-R310 VanDerWaalsContact CE2-CG 3.41Å; W271-R310 HydrophobicContact CE3-CB 4.37Å; W271-R310 HydrophobicContact CE3-CG 4.08Å; W271-R310 HydrophobicContact CG-CG 4.28Å; W271-R310 HydrophobicContact CH2-CG 3.89Å; W271-R310 HydrophobicContact CZ2-CG 3.52Å; W271-R310 HydrophobicContact CZ3-CB 4.44Å; W271-R310 HydrophobicContact CZ3-CG 4.15Å; W271-L537 HydrophobicContact CH2-CD1 4.49Å; W271-L537 HydrophobicContact CH2-CD2 3.92Å; W271-L537 HydrophobicContact CZ2-CD2 3.92Å; W271-W564 AromaticContact CH2-CH2 3.67Å; W271-W564 HydrophobicContact CH2-CH2 3.67Å; W271-W564 AromaticContact CH2-CZ2 3.97Å; W271-W564 HydrophobicContact CH2-CZ2 3.97Å; W271-W564 AromaticContact CZ3-CH2 3.81Å; W271-W564 HydrophobicContact CZ3-CH2 3.81Å; W271-W564 AromaticContact CZ3-CZ2 3.77Å; W271-W564 HydrophobicContact CZ3-CZ2 3.77Å
272	I	94.9	Very high	93.6	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-53.4	-44.3	173.6	-72.9	173.8	0	0	0	110.6	T268 M269 H276 R310 V311 F314	T268-I272 HydrophobicContact CG2-CD1 4.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.45Å; T268-I272 PolarHBondContact O-N 3.2Å; M269-I272 PolarHBondContact O-N 2.84Å; I272-H276 WeakPolarHBondContact CG2-ND1 3.29Å; I272-H276 PolarHBondContact O-N 3.34Å; I272-H276 PolarHBondContact O-ND1 3.23Å; I272-R310 HydrophobicContact CG1-CB 3.76Å; I272-V311 HydrophobicContact CD1-CG2 4.45Å; I272-F314 HydrophobicContact CD1-CD2 3.84Å; I272-F314 HydrophobicContact CD1-CE2 3.56Å
273	M	95.2	Very high	93.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.9	-46.2	-177	-164.8	-175.1	-51.8	0	0	112.4	M269 A270 W271 S275 H276 L277 H606 F639 V642 L643	M269-M273 HydrophobicContact CE-CE 3.69Å; M269-M273 WeakPolarHBondContact O-CB 3.35Å; M269-M273 PolarHBondContact O-N 2.48Å; A270-M273 PolarHBondContact O-N 2.8Å; W271-M273 PolarHBondContact O-N 2.91Å; M273-S275 PolarHBondContact O-N 2.85Å; M273-H276 PolarHBondContact O-N 3.42Å; M273-L277 WeakPolarHBondContact O-CB 3.33Å; M273-L277 PolarHBondContact O-N 2.85Å; M273-H606 HydrophobicContact CE-CB 4.06Å; M273-H606 HydrophobicContact CG-CB 4.34Å; M273-F639 HydrophobicContact CB-CE2 4.3Å; M273-F639 HydrophobicContact CG-CE2 4.46Å; M273-V642 HydrophobicContact CG-CG1 4.19Å; M273-V642 HydrophobicContact SD-CG1 3.9Å; M273-L643 HydrophobicContact CE-CD1 3.73Å; M273-L643 HydrophobicContact SD-CB 4.21Å; M273-L643 HydrophobicContact SD-CD1 3.75Å
274	A	94.1	Very high	92.8	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-55.9	-44.4	176.8	0	0	0	0	0	110.9	F6 A270 W271 L277 V278 I304 F639	F6-A274 HydrophobicContact CZ-CB 4.06Å; A270-A274 WeakPolarHBondContact O-CB 3.48Å; A270-A274 PolarHBondContact O-N 2.93Å; W271-A274 PolarHBondContact O-N 3.45Å; A274-L277 WeakPolarHBondContact O-CB 3.04Å; A274-L277 PolarHBondContact O-N 2.82Å; A274-V278 WeakPolarHBondContact O-CG2 3.36Å; A274-V278 PolarHBondContact O-N 3.47Å; A274-V278 VanDerWaalsContact O-N 3.07Å; A274-I304 HydrophobicContact CB-CD1 4.28Å; A274-F639 VanDerWaalsContact CA-CE2 3.44Å; A274-F639 HydrophobicContact CB-CD2 3.9Å; A274-F639 HydrophobicContact CB-CE2 3.5Å; A274-F639 HydrophobicContact CB-CZ 3.84Å
275	S	92.6	Very high	92.4	Very high	4 Å²	4	10 Å²	10	3%	0.028	5%	0.052	C	C	.	.	H	α-helix	trans	-70.3	-38.4	179.2	-67.8	0	0	0	0	115.3	W271 M273 L277 C279 I304 R310	W271-S275 PolarHBondContact O-N 3.34Å; W271-S275 VanDerWaalsContact O-N 3.1Å; W271-S275 PolarHBondContact O-OG 2.67Å; M273-S275 PolarHBondContact O-N 2.85Å; S275-L277 VanDerWaalsContact C-N 3.31Å; S275-C279 VanDerWaalsContact O-CB 3.25Å; S275-C279 WeakPolarHBondContact O-CB 3.48Å; S275-C279 PolarHBondContact O-N 2.86Å; S275-I304 WeakPolarHBondContact CB-O 3.43Å; S275-I304 PolarHBondContact OG-O 2.99Å; S275-R310 WeakPolarHBondContact OG-CD 3.32Å; S275-R310 PolarHBondContact OG-NH1 3.47Å
276	H	92.2	Very high	91.9	Very high	33 Å²	33	10.3 Å²	10.3	15%	0.153	6%	0.058	C	C	.	.	H	α-helix	trans	-65.6	-39	174.1	-78.5	99.1	0	0	0	110.8	I272 M273 C279 F280 H606	I272-H276 WeakPolarHBondContact CG2-ND1 3.29Å; I272-H276 PolarHBondContact O-N 3.34Å; I272-H276 PolarHBondContact O-ND1 3.23Å; M273-H276 PolarHBondContact O-N 3.42Å; H276-C279 PolarHBondContact O-N 3.46Å; H276-F280 HydrophobicContact CB-CD2 4.38Å; H276-F280 HydrophobicContact CB-CE2 4.1Å; H276-F280 AromaticContact CD2-CZ 3.79Å; H276-F280 VanDerWaalsContact O-CB 3.31Å; H276-F280 WeakPolarHBondContact O-CB 3.35Å; H276-F280 WeakPolarHBondContact O-CD2 3.49Å; H276-F280 WeakPolarHBondContact O-CG 3.39Å; H276-F280 PolarHBondContact O-N 2.96Å; H276-H606 AromaticContact ND1-NE2 3.77Å
277	L	93.5	Very high	91.3	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-51.7	175	176.1	67.4	0	0	0	111.5	M273 A274 S275 C279 F280 S281 V610 L614 V638 F639	M273-L277 WeakPolarHBondContact O-CB 3.33Å; M273-L277 PolarHBondContact O-N 2.85Å; A274-L277 WeakPolarHBondContact O-CB 3.04Å; A274-L277 PolarHBondContact O-N 2.82Å; S275-L277 VanDerWaalsContact C-N 3.31Å; L277-C279 VanDerWaalsContact C-N 3.31Å; L277-C279 PolarHBondContact O-N 2.87Å; L277-F280 PolarHBondContact O-N 3.24Å; L277-S281 WeakPolarHBondContact O-CB 3.26Å; L277-S281 PolarHBondContact O-N 3.1Å; L277-V610 HydrophobicContact CD1-CG1 3.96Å; L277-L614 HydrophobicContact CD1-CD1 4.38Å; L277-L614 HydrophobicContact CD1-CD2 3.71Å; L277-L614 HydrophobicContact CD1-CG 4.14Å; L277-V638 HydrophobicContact CD1-CG1 3.87Å; L277-V638 HydrophobicContact CD2-CG1 4.21Å; L277-F639 VanDerWaalsContact CD2-CA 3.47Å; L277-F639 HydrophobicContact CD2-CB 3.58Å; L277-F639 HydrophobicContact CD2-CD2 4.1Å; L277-F639 HydrophobicContact CD2-CG 4.34Å
278	V	91.9	Very high	90.8	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.024	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-34.8	178.9	177.4	0	0	0	0	111.7	A274 S281 L291 Y295 I304 L470 T635	A274-V278 WeakPolarHBondContact O-CG2 3.36Å; A274-V278 PolarHBondContact O-N 3.47Å; A274-V278 VanDerWaalsContact O-N 3.07Å; V278-S281 PolarHBondContact O-OG 3.25Å; V278-L291 HydrophobicContact CG1-CD1 4.21Å; V278-Y295 HydrophobicContact CG1-CD2 4.31Å; V278-Y295 HydrophobicContact CG1-CE1 4.11Å; V278-Y295 HydrophobicContact CG1-CE2 3.72Å; V278-Y295 WeakPolarHBondContact CG2-OH 3.14Å; V278-I304 HydrophobicContact CB-CG2 4.27Å; V278-I304 HydrophobicContact CG1-CG2 4.49Å; V278-I304 HydrophobicContact CG2-CG2 4.14Å; V278-L470 HydrophobicContact CG1-CD1 4.09Å; V278-L470 HydrophobicContact CG1-CD2 3.5Å; V278-L470 VanDerWaalsContact CG1-CD2 3.5Å; V278-L470 HydrophobicContact CG1-CG 4.42Å; V278-T635 HydrophobicContact CG2-CG2 4.02Å
279	C	88.9	Confident	90.2	Very high	8 Å²	8	13.5 Å²	13.5	5%	0.054	7%	0.074	C	C	.	.	H	α-helix	trans	-66.6	-43.4	175.6	-171.8	0	0	0	0	111.6	S275 H276 L277 Q282	S275-C279 VanDerWaalsContact O-CB 3.25Å; S275-C279 WeakPolarHBondContact O-CB 3.48Å; S275-C279 PolarHBondContact O-N 2.86Å; H276-C279 PolarHBondContact O-N 3.46Å; L277-C279 VanDerWaalsContact C-N 3.31Å; L277-C279 PolarHBondContact O-N 2.87Å; C279-Q282 WeakPolarHBondContact O-CB 3.27Å; C279-Q282 WeakPolarHBondContact O-CG 3.39Å; C279-Q282 PolarHBondContact O-NE2 2.89Å
280	F	89.7	Confident	89.8	Confident	24 Å²	24	18 Å²	18	11%	0.105	10%	0.095	C	C	.	.	H	α-helix	trans	-79.4	-23.6	-178.1	-62.8	-19.7	0	0	0	112.5	W99 H276 L277 Q282 S283 C607 V610 F611 L614	W99-F280 AromaticContact CH2-CD1 3.26Å; W99-F280 HydrophobicContact CH2-CD1 3.26Å; W99-F280 AromaticContact CH2-CE1 3.56Å; W99-F280 HydrophobicContact CH2-CE1 3.56Å; W99-F280 HydrophobicContact CH2-CG 4.4Å; W99-F280 HydrophobicContact CZ2-CD1 4.01Å; W99-F280 HydrophobicContact CZ2-CE1 4.2Å; W99-F280 AromaticContact CZ3-CD1 3.77Å; W99-F280 HydrophobicContact CZ3-CD1 3.77Å; W99-F280 HydrophobicContact CZ3-CE1 4.42Å; H276-F280 HydrophobicContact CB-CD2 4.38Å; H276-F280 HydrophobicContact CB-CE2 4.1Å; H276-F280 AromaticContact CD2-CZ 3.79Å; H276-F280 VanDerWaalsContact O-CB 3.31Å; H276-F280 WeakPolarHBondContact O-CB 3.35Å; H276-F280 WeakPolarHBondContact O-CD2 3.49Å; H276-F280 WeakPolarHBondContact O-CG 3.39Å; H276-F280 PolarHBondContact O-N 2.96Å; L277-F280 PolarHBondContact O-N 3.24Å; F280-Q282 PolarHBondContact O-N 3.01Å; F280-Q282 VanDerWaalsContact O-N 3.14Å; F280-S283 PolarHBondContact O-N 3.36Å; F280-S283 PolarHBondContact O-OG 2.84Å; F280-C607 HydrophobicContact CE2-CB 4.31Å; F280-V610 HydrophobicContact CB-CG1 4.41Å; F280-V610 HydrophobicContact CD2-CG1 3.83Å; F280-F611 HydrophobicContact CB-CE1 4.4Å; F280-F611 HydrophobicContact CB-CZ 4.4Å; F280-F611 HydrophobicContact CD1-CZ 4.3Å; F280-F611 HydrophobicContact CD2-CE1 4.37Å; F280-F611 AromaticContact CD2-CE2 3.84Å; F280-F611 HydrophobicContact CD2-CE2 3.84Å; F280-F611 AromaticContact CD2-CZ 3.71Å; F280-F611 HydrophobicContact CD2-CZ 3.71Å; F280-F611 AromaticContact CE2-CE2 3.76Å; F280-F611 HydrophobicContact CE2-CE2 3.76Å; F280-F611 AromaticContact CE2-CZ 3.96Å; F280-F611 HydrophobicContact CE2-CZ 3.96Å; F280-F611 HydrophobicContact CG-CE1 4.39Å; F280-F611 HydrophobicContact CG-CE2 4.48Å; F280-F611 AromaticContact CG-CZ 3.9Å; F280-F611 HydrophobicContact CG-CZ 3.9Å; F280-F611 HydrophobicContact CZ-CE2 4.31Å; F280-F611 HydrophobicContact CZ-CZ 4.35Å; F280-L614 HydrophobicContact CB-CD1 3.69Å
281	S	90.7	Very high	89.5	Confident	7 Å²	7	17.5 Å²	17.5	5%	0.049	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-24.8	175.4	67.7	0	0	0	0	112.4	L277 V278 S283 V284 V285	L277-S281 WeakPolarHBondContact O-CB 3.26Å; L277-S281 PolarHBondContact O-N 3.1Å; V278-S281 PolarHBondContact O-OG 3.25Å; S281-S283 PolarHBondContact O-N 3.47Å; S281-V284 WeakPolarHBondContact O-CG2 3.06Å; S281-V284 PolarHBondContact O-N 3.22Å; S281-V285 WeakPolarHBondContact O-CG1 3.48Å; S281-V285 WeakPolarHBondContact O-CG2 3.09Å; S281-V285 PolarHBondContact O-N 3.38Å; S281-V285 VanDerWaalsContact O-N 3.14Å
282	Q	88.5	Confident	89.2	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.8	171.3	-62.8	-178.1	84.9	0	0	113.7	W99 C279 F280 V288 L291 L469 L470	W99-Q282 HydrophobicContact CB-CB 3.75Å; W99-Q282 HydrophobicContact CD2-CB 4.39Å; W99-Q282 HydrophobicContact CG-CB 3.94Å; C279-Q282 WeakPolarHBondContact O-CB 3.27Å; C279-Q282 WeakPolarHBondContact O-CG 3.39Å; C279-Q282 PolarHBondContact O-NE2 2.89Å; F280-Q282 PolarHBondContact O-N 3.01Å; F280-Q282 VanDerWaalsContact O-N 3.14Å; Q282-V288 HydrophobicContact CB-CG1 4.09Å; Q282-V288 HydrophobicContact CG-CG1 4.15Å; Q282-V288 VanDerWaalsContact O-CG2 3.31Å; Q282-V288 WeakPolarHBondContact O-CG2 3Å; Q282-L291 HydrophobicContact CG-CD2 3.82Å; Q282-L469 PolarHBondContact NE2-O 2.79Å; Q282-L470 HydrophobicContact CG-CD1 3.93Å
283	S	85.1	Confident	88.9	Confident	6 Å²	6	23.6 Å²	23.6	4%	0.042	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.7	175.3	58.6	0	0	0	0	115.1	G103 F280 S281	G103-S283 WeakPolarHBondContact CA-O 3.48Å; G103-S283 PolarHBondContact N-O 3.38Å; F280-S283 PolarHBondContact O-N 3.36Å; F280-S283 PolarHBondContact O-OG 2.84Å; S281-S283 PolarHBondContact O-N 3.47Å
284	V	87	Confident	88.6	Confident	5 Å²	5	24.4 Å²	24.4	3%	0.03	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	4.3	-173.4	-58.1	0	0	0	0	113.8	L106 S281 L614 Y617 A618 P628	L106-V284 HydrophobicContact CD2-CB 4.38Å; L106-V284 HydrophobicContact CD2-CG1 3.7Å; S281-V284 WeakPolarHBondContact O-CG2 3.06Å; S281-V284 PolarHBondContact O-N 3.22Å; V284-L614 HydrophobicContact CG1-CB 4.24Å; V284-L614 HydrophobicContact CG2-CB 4.32Å; V284-L614 HydrophobicContact CG2-CD2 3.95Å; V284-Y617 HydrophobicContact CG2-CD1 4.42Å; V284-A618 HydrophobicContact CB-CB 3.87Å; V284-A618 HydrophobicContact CG1-CB 4Å; V284-P628 WeakPolarHBondContact O-CD 3.49Å; V284-P628 VanDerWaalsContact O-CG 3.26Å; V284-P628 WeakPolarHBondContact O-CG 3.39Å
285	V	87.3	Confident	88.5	Confident	7 Å²	7	24.7 Å²	24.7	4%	0.042	12%	0.12	C	C	.	.			trans	-111.1	146.6	177.2	-59.7	0	0	0	0	111.3	S281 V288 L291 P628	S281-V285 WeakPolarHBondContact O-CG1 3.48Å; S281-V285 WeakPolarHBondContact O-CG2 3.09Å; S281-V285 PolarHBondContact O-N 3.38Å; S281-V285 VanDerWaalsContact O-N 3.14Å; V285-V288 HydrophobicContact CG2-CG2 3.85Å; V285-V288 WeakPolarHBondContact O-CG2 3.34Å; V285-L291 HydrophobicContact CG2-CD2 4.11Å; V285-P628 CarbonylContact C-O 3.6Å; V285-P628 VanDerWaalsContact CA-O 3.25Å; V285-P628 WeakPolarHBondContact CA-O 3.23Å
286	N	83.1	Confident	88.3	Confident	67 Å²	67	25.5 Å²	25.5	36%	0.358	13%	0.126	S	C	.	.	S	Bend	trans	-80	-31.1	-179	-166.8	23	0	0	0	113	L627 P628	N286-L627 HydrophobicContact CB-CB 4.16Å; N286-P628 PolarHBondContact N-O 3.28Å
287	N	84.5	Confident	88.1	Confident	25 Å²	25	28.9 Å²	28.9	13%	0.134	15%	0.145	C	C	.	.			trans	-103	52.2	-176.8	62.7	-28.1	0	0	0	112.1	D289 E290 L291 T629 Y630	N287-D289 PolarHBondContact O-N 3.08Å; N287-E290 HydrophobicContact CB-CB 3.99Å; N287-E290 PolarHBondContact ND2-OE2 2.86Å; N287-E290 WeakPolarHBondContact O-CB 3.42Å; N287-E290 PolarHBondContact O-N 3.15Å; N287-L291 PolarHBondContact O-N 2.92Å; N287-T629 HydrophobicContact CB-CG2 4.47Å; N287-T629 WeakPolarHBondContact ND2-CG2 3.39Å; N287-Y630 VanDerWaalsContact OD1-CB 3.29Å; N287-Y630 WeakPolarHBondContact OD1-CB 3Å; N287-Y630 PolarHBondContact OD1-N 2.75Å
288	V	84.4	Confident	88	Confident	11 Å²	11	33.5 Å²	33.5	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-54	-38.8	-177.8	-177.6	0	0	0	0	112.3	Q282 V285 E290 L291 R292	Q282-V288 HydrophobicContact CB-CG1 4.09Å; Q282-V288 HydrophobicContact CG-CG1 4.15Å; Q282-V288 VanDerWaalsContact O-CG2 3.31Å; Q282-V288 WeakPolarHBondContact O-CG2 3Å; V285-V288 HydrophobicContact CG2-CG2 3.85Å; V285-V288 WeakPolarHBondContact O-CG2 3.34Å; V288-E290 VanDerWaalsContact C-N 3.34Å; V288-E290 PolarHBondContact O-N 3.22Å; V288-L291 WeakPolarHBondContact O-CB 3.16Å; V288-L291 PolarHBondContact O-N 2.98Å; V288-R292 WeakPolarHBondContact O-CG 3.5Å; V288-R292 PolarHBondContact O-N 3.23Å
289	D	84.4	Confident	87.9	Confident	58 Å²	58	37.7 Å²	37.7	31%	0.31	18%	0.181	S	C	.	.	H	α-helix	trans	-72.2	-29.8	-178.4	-57.2	-43.5	0	0	0	112.5	K100 N287 R292 R293	K100-D289 IonicContact NZ-OD1 2.57Å; N287-D289 PolarHBondContact O-N 3.08Å; D289-R292 PolarHBondContact O-N 2.71Å; D289-R292 IonicContact OD1-NH1 2.67Å; D289-R293 VanDerWaalsContact CB-NH2 3.27Å; D289-R293 WeakPolarHBondContact O-CB 3.31Å; D289-R293 WeakPolarHBondContact O-CG 3.2Å; D289-R293 PolarHBondContact O-N 3.41Å
290	E	87.3	Confident	88	Confident	95 Å²	95	42.2 Å²	42.2	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-70.2	-42.4	172.1	-171.9	-179.6	176.4	0	0	111.2	N287 V288 R292 R293 S294	N287-E290 HydrophobicContact CB-CB 3.99Å; N287-E290 PolarHBondContact ND2-OE2 2.86Å; N287-E290 WeakPolarHBondContact O-CB 3.42Å; N287-E290 PolarHBondContact O-N 3.15Å; V288-E290 VanDerWaalsContact C-N 3.34Å; V288-E290 PolarHBondContact O-N 3.22Å; E290-R292 VanDerWaalsContact C-N 3.29Å; E290-R292 PolarHBondContact O-N 2.88Å; E290-R293 PolarHBondContact O-N 3.23Å; E290-S294 VanDerWaalsContact O-CB 3.23Å; E290-S294 WeakPolarHBondContact O-CB 3.39Å; E290-S294 PolarHBondContact O-N 3.32Å
291	L	89.3	Confident	88.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-53.6	-47.9	169.9	164.5	67.7	0	0	0	110.7	V278 Q282 V285 N287 V288 Y295 L470 Y630	V278-L291 HydrophobicContact CG1-CD1 4.21Å; Q282-L291 HydrophobicContact CG-CD2 3.82Å; V285-L291 HydrophobicContact CG2-CD2 4.11Å; N287-L291 PolarHBondContact O-N 2.92Å; V288-L291 WeakPolarHBondContact O-CB 3.16Å; V288-L291 PolarHBondContact O-N 2.98Å; L291-Y295 HydrophobicContact CD1-CD2 3.68Å; L291-Y295 HydrophobicContact CD1-CE2 3.52Å; L291-Y295 WeakPolarHBondContact O-CD2 3.46Å; L291-Y295 PolarHBondContact O-N 3.45Å; L291-L470 HydrophobicContact CD2-CD1 4.21Å; L291-L470 HydrophobicContact CG-CD1 4.17Å; L291-Y630 HydrophobicContact CB-CD1 3.96Å; L291-Y630 HydrophobicContact CB-CD2 4.34Å; L291-Y630 HydrophobicContact CB-CE1 4.43Å; L291-Y630 HydrophobicContact CB-CG 3.89Å; L291-Y630 HydrophobicContact CD1-CD1 4.23Å; L291-Y630 HydrophobicContact CD1-CD2 3.52Å; L291-Y630 HydrophobicContact CD1-CE1 4.11Å; L291-Y630 HydrophobicContact CD1-CE2 3.37Å; L291-Y630 HydrophobicContact CD1-CG 3.93Å; L291-Y630 HydrophobicContact CG-CD2 4.42Å; L291-Y630 HydrophobicContact CG-CG 4.46Å
292	R	89.5	Confident	88.1	Confident	28 Å²	28	41.4 Å²	41.4	11%	0.106	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-46.7	179.6	-69.4	176.5	-179.4	154.1	-2.8	112.4	L96 V288 D289 E290 Y295 S296 L470	L96-R292 PolarHBondContact O-NH2 3.1Å; L96-R292 VanDerWaalsContact O-NH2 3.16Å; V288-R292 WeakPolarHBondContact O-CG 3.5Å; V288-R292 PolarHBondContact O-N 3.23Å; D289-R292 PolarHBondContact O-N 2.71Å; D289-R292 IonicContact OD1-NH1 2.67Å; E290-R292 VanDerWaalsContact C-N 3.29Å; E290-R292 PolarHBondContact O-N 2.88Å; R292-Y295 PolarHBondContact O-N 2.97Å; R292-S296 WeakPolarHBondContact O-CB 3.16Å; R292-S296 PolarHBondContact O-N 2.92Å; R292-L470 HydrophobicContact CG-CD1 4.48Å; R292-L470 WeakPolarHBondContact CG-O 3.32Å
293	R	87.8	Confident	88.2	Confident	107 Å²	107	44.1 Å²	44.1	40%	0.404	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-50	178.3	-77.9	-173.4	-127.2	97.7	8	111.8	D289 E290 Y295 S296 D297	D289-R293 VanDerWaalsContact CB-NH2 3.27Å; D289-R293 WeakPolarHBondContact O-CB 3.31Å; D289-R293 WeakPolarHBondContact O-CG 3.2Å; D289-R293 PolarHBondContact O-N 3.41Å; E290-R293 PolarHBondContact O-N 3.23Å; R293-Y295 VanDerWaalsContact C-N 3.31Å; R293-Y295 PolarHBondContact O-N 2.91Å; R293-S296 WeakPolarHBondContact O-CA 3.37Å; R293-S296 WeakPolarHBondContact O-CB 3.3Å; R293-S296 PolarHBondContact O-N 3.13Å; R293-D297 PolarHBondContact O-N 3.42Å
294	S	90	Very high	88.4	Confident	18 Å²	18	44.4 Å²	44.4	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-50.1	-50.6	176.3	169.1	0	0	0	0	111.4	E290 S296 Y298 H632	E290-S294 VanDerWaalsContact O-CB 3.23Å; E290-S294 WeakPolarHBondContact O-CB 3.39Å; E290-S294 PolarHBondContact O-N 3.32Å; S294-S296 PolarHBondContact O-N 3.43Å; S294-Y298 WeakPolarHBondContact O-CD2 3.41Å; S294-H632 PolarHBondContact OG-CE1 2.96Å; S294-H632 PolarHBondContact OG-NE2 3.36Å
295	Y	90.8	Very high	88.4	Confident	8 Å²	8	44.5 Å²	44.5	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-29.7	177.4	-84.1	-95.4	0	0	0	113.9	V278 L291 R292 R293 A301 I304 Y305 L470 Y630	V278-Y295 HydrophobicContact CG1-CD2 4.31Å; V278-Y295 HydrophobicContact CG1-CE1 4.11Å; V278-Y295 HydrophobicContact CG1-CE2 3.72Å; V278-Y295 WeakPolarHBondContact CG2-OH 3.14Å; L291-Y295 HydrophobicContact CD1-CD2 3.68Å; L291-Y295 HydrophobicContact CD1-CE2 3.52Å; L291-Y295 WeakPolarHBondContact O-CD2 3.46Å; L291-Y295 PolarHBondContact O-N 3.45Å; R292-Y295 PolarHBondContact O-N 2.97Å; R293-Y295 VanDerWaalsContact C-N 3.31Å; R293-Y295 PolarHBondContact O-N 2.91Å; Y295-A301 HydrophobicContact CD1-CB 3.82Å; Y295-A301 HydrophobicContact CG-CB 4.47Å; Y295-A301 WeakPolarHBondContact O-CB 3.33Å; Y295-I304 HydrophobicContact CD1-CB 4.36Å; Y295-I304 HydrophobicContact CD1-CG2 4.4Å; Y295-I304 HydrophobicContact CE1-CB 3.92Å; Y295-I304 HydrophobicContact CE1-CG1 4.26Å; Y295-I304 HydrophobicContact CE1-CG2 3.78Å; Y295-Y305 WeakPolarHBondContact O-CE1 3.35Å; Y295-L470 HydrophobicContact CD1-CD2 3.78Å; Y295-L470 HydrophobicContact CD2-CD2 3.92Å; Y295-L470 HydrophobicContact CE1-CD2 4.44Å; Y295-L470 HydrophobicContact CG-CD2 3.51Å; Y295-Y630 HydrophobicContact CE2-CE2 4.13Å; Y295-Y630 AromaticContact CE2-CZ 3.86Å; Y295-Y630 WeakPolarHBondContact CE2-OH 3.4Å
296	S	88.7	Confident	88.4	Confident	21 Å²	21	44.1 Å²	44.1	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-43.9	176.9	-170.2	0	0	0	0	112	R292 R293 S294 Y298 H545	R292-S296 WeakPolarHBondContact O-CB 3.16Å; R292-S296 PolarHBondContact O-N 2.92Å; R293-S296 WeakPolarHBondContact O-CA 3.37Å; R293-S296 WeakPolarHBondContact O-CB 3.3Å; R293-S296 PolarHBondContact O-N 3.13Å; S294-S296 PolarHBondContact O-N 3.43Å; S296-Y298 VanDerWaalsContact C-N 3.33Å; S296-Y298 PolarHBondContact O-N 2.96Å; S296-H545 PolarHBondContact O-CE1 2.89Å
297	D	88.6	Confident	87.7	Confident	103 Å²	103	41.1 Å²	41.1	55%	0.551	20%	0.196	S	C	*	.	H	α-helix	trans	-69.2	-30.4	-173	-63.6	-21	0	0	0	112.3	R293 F299	R293-D297 PolarHBondContact O-N 3.42Å; D297-F299 PolarHBondContact O-N 2.88Å
298	Y	90.1	Very high	87.5	Confident	100 Å²	100	40.1 Å²	40.1	39%	0.392	19%	0.191	S	C	.	.			trans	-86.1	113.5	178.6	-67	-64.3	0	0	0	112.5	S294 S296 L300 A301	S294-Y298 WeakPolarHBondContact O-CD2 3.41Å; S296-Y298 VanDerWaalsContact C-N 3.33Å; S296-Y298 PolarHBondContact O-N 2.96Å; Y298-L300 VanDerWaalsContact C-N 3.3Å; Y298-L300 PolarHBondContact O-N 3.03Å; Y298-A301 VanDerWaalsContact O-CB 3.22Å; Y298-A301 WeakPolarHBondContact O-CB 3.37Å; Y298-A301 PolarHBondContact O-N 2.7Å
299	F	90.6	Very high	87.4	Confident	93 Å²	93	39.6 Å²	39.6	41%	0.408	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-50.9	-44.1	177.3	178.7	-98.6	0	0	0	114.1	D297 A301 Q302 F538 Y541	D297-F299 PolarHBondContact O-N 2.88Å; F299-A301 VanDerWaalsContact C-N 3.28Å; F299-A301 PolarHBondContact O-N 3.3Å; F299-Q302 WeakPolarHBondContact O-CB 3.18Å; F299-Q302 PolarHBondContact O-N 3.31Å; F299-Q302 PolarHBondContact O-NE2 3.03Å; F299-F538 HydrophobicContact CD1-CD1 4.41Å; F299-F538 HydrophobicContact CE1-CB 4.18Å; F299-F538 AromaticContact CE1-CD1 3.9Å; F299-F538 HydrophobicContact CE1-CD1 3.9Å; F299-F538 HydrophobicContact CE1-CE1 4.47Å; F299-F538 HydrophobicContact CE1-CG 4Å; F299-F538 HydrophobicContact CE2-CB 4.2Å; F299-F538 HydrophobicContact CZ-CB 3.59Å; F299-F538 HydrophobicContact CZ-CD1 4.09Å; F299-F538 AromaticContact CZ-CG 3.94Å; F299-F538 HydrophobicContact CZ-CG 3.94Å; F299-Y541 HydrophobicContact CB-CD2 4.43Å; F299-Y541 HydrophobicContact CB-CE2 4.08Å; F299-Y541 AromaticContact CD2-CD1 3.96Å; F299-Y541 HydrophobicContact CD2-CD1 3.96Å; F299-Y541 AromaticContact CD2-CD2 3.58Å; F299-Y541 HydrophobicContact CD2-CD2 3.58Å; F299-Y541 HydrophobicContact CD2-CE1 4.3Å; F299-Y541 AromaticContact CD2-CE2 3.92Å; F299-Y541 HydrophobicContact CD2-CE2 3.92Å; F299-Y541 AromaticContact CD2-CG 3.58Å; F299-Y541 HydrophobicContact CD2-CG 3.58Å; F299-Y541 HydrophobicContact CE2-CD1 4.33Å; F299-Y541 HydrophobicContact CE2-CD2 4.34Å; F299-Y541 AromaticContact CE2-CG 3.95Å; F299-Y541 HydrophobicContact CE2-CG 3.95Å; F299-Y541 HydrophobicContact CG-CD2 4.43Å
300	L	91.3	Very high	87.5	Confident	103 Å²	103	37.9 Å²	37.9	54%	0.539	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-73.7	-18.2	-179.2	-66.7	-178.8	0	0	0	113.4	Y298 Q302 Y303 F538	Y298-L300 VanDerWaalsContact C-N 3.3Å; Y298-L300 PolarHBondContact O-N 3.03Å; L300-Q302 PolarHBondContact O-N 2.92Å; L300-Y303 WeakPolarHBondContact O-CB 3.28Å; L300-Y303 PolarHBondContact O-N 3.23Å; L300-F538 HydrophobicContact CD2-CE1 4.19Å; L300-F538 HydrophobicContact CD2-CZ 4.17Å
301	A	91.4	Very high	87.5	Confident	14 Å²	14	33.7 Å²	33.7	12%	0.116	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-67.3	-15.5	178.8	0	0	0	0	0	112.4	Y295 Y298 F299 Y303 I304 Y305	Y295-A301 HydrophobicContact CD1-CB 3.82Å; Y295-A301 HydrophobicContact CG-CB 4.47Å; Y295-A301 WeakPolarHBondContact O-CB 3.33Å; Y298-A301 VanDerWaalsContact O-CB 3.22Å; Y298-A301 WeakPolarHBondContact O-CB 3.37Å; Y298-A301 PolarHBondContact O-N 2.7Å; F299-A301 VanDerWaalsContact C-N 3.28Å; F299-A301 PolarHBondContact O-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.95Å; A301-Y303 VanDerWaalsContact O-N 3.12Å; A301-I304 WeakPolarHBondContact O-CA 3.39Å; A301-I304 PolarHBondContact O-N 3.26Å; A301-Y305 VanDerWaalsContact C-CE1 3.42Å; A301-Y305 HydrophobicContact CB-CD1 4.23Å; A301-Y305 HydrophobicContact CB-CE1 4.21Å; A301-Y305 WeakPolarHBondContact O-CD1 3.41Å; A301-Y305 PolarHBondContact O-N 3.47Å; A301-Y305 VanDerWaalsContact O-N 3.12Å
302	Q	90.9	Very high	87.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-50.1	-33.9	166.8	-79.7	177.4	93.9	0	0	112.3	F299 L300 I304 Y305 N306 L537 F538	F299-Q302 WeakPolarHBondContact O-CB 3.18Å; F299-Q302 PolarHBondContact O-N 3.31Å; F299-Q302 PolarHBondContact O-NE2 3.03Å; L300-Q302 PolarHBondContact O-N 2.92Å; Q302-I304 PolarHBondContact O-N 3.36Å; Q302-Y305 HydrophobicContact CB-CE1 4.19Å; Q302-Y305 HydrophobicContact CG-CE1 3.74Å; Q302-Y305 HydrophobicContact CG-CE2 3.85Å; Q302-Y305 WeakPolarHBondContact CG-OH 3.32Å; Q302-Y305 PolarHBondContact O-N 3.14Å; Q302-N306 WeakPolarHBondContact O-CA 3.33Å; Q302-N306 WeakPolarHBondContact O-CB 3.28Å; Q302-N306 PolarHBondContact O-N 3.37Å; Q302-L537 PolarHBondContact OE1-O 2.8Å; Q302-F538 HydrophobicContact CB-CD1 3.89Å; Q302-F538 HydrophobicContact CB-CE1 4.12Å; Q302-F538 PolarHBondContact OE1-O 3.36Å
303	Y	90.4	Very high	88	Confident	58 Å²	58	32.3 Å²	32.3	23%	0.227	15%	0.153	C	C	.	.	H	α-helix	trans	-53.7	-41.9	173.8	-177.6	-103.1	0	0	0	110.9	F6 W271 L300 A301 L537	F6-Y303 AromaticContact CD2-CE1 3.98Å; F6-Y303 HydrophobicContact CD2-CE1 3.98Å; F6-Y303 HydrophobicContact CE2-CE1 4.05Å; W271-Y303 AromaticContact CD1-CE1 3.56Å; W271-Y303 AromaticContact CD1-CZ 3.84Å; W271-Y303 HydrophobicContact CD2-CE1 4.17Å; W271-Y303 AromaticContact CD2-CE2 3.92Å; W271-Y303 HydrophobicContact CD2-CE2 3.92Å; W271-Y303 AromaticContact CD2-CZ 3.63Å; W271-Y303 AromaticContact CE2-CE2 3.72Å; W271-Y303 AromaticContact CE2-CZ 3.74Å; W271-Y303 HydrophobicContact CE3-CE2 4.25Å; W271-Y303 AromaticContact CG-CE1 3.85Å; W271-Y303 HydrophobicContact CG-CE1 3.85Å; W271-Y303 HydrophobicContact CG-CE2 4.44Å; W271-Y303 AromaticContact CG-CZ 3.69Å; W271-Y303 HydrophobicContact CH2-CE2 4.28Å; W271-Y303 AromaticContact CZ2-CD2 3.99Å; W271-Y303 HydrophobicContact CZ2-CD2 3.99Å; W271-Y303 AromaticContact CZ2-CE2 3.92Å; W271-Y303 HydrophobicContact CZ2-CE2 3.92Å; W271-Y303 VanDerWaalsContact CZ2-O 3.25Å; W271-Y303 WeakPolarHBondContact CZ2-O 3.29Å; W271-Y303 HydrophobicContact CZ3-CE2 4.43Å; W271-Y303 AromaticContact NE1-CD1 3.86Å; W271-Y303 AromaticContact NE1-CE1 3.7Å; W271-Y303 AromaticContact NE1-CZ 3.87Å; W271-Y303 PolarHBondContact NE1-O 3.42Å; L300-Y303 WeakPolarHBondContact O-CB 3.28Å; L300-Y303 PolarHBondContact O-N 3.23Å; A301-Y303 PolarHBondContact O-N 2.95Å; A301-Y303 VanDerWaalsContact O-N 3.12Å; Y303-L537 HydrophobicContact CD2-CD1 4.19Å
304	I	89.8	Confident	88.4	Confident	11 Å²	11	28.4 Å²	28.4	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-80.5	-48.2	-179.5	-58.8	-62.1	0	0	0	112.3	F6 F10 A274 S275 V278 Y295 A301 Q302 R310	F6-I304 HydrophobicContact CE2-CD1 4.11Å; F10-I304 HydrophobicContact CE2-CD1 4.35Å; A274-I304 HydrophobicContact CB-CD1 4.28Å; S275-I304 WeakPolarHBondContact CB-O 3.43Å; S275-I304 PolarHBondContact OG-O 2.99Å; V278-I304 HydrophobicContact CB-CG2 4.27Å; V278-I304 HydrophobicContact CG1-CG2 4.49Å; V278-I304 HydrophobicContact CG2-CG2 4.14Å; Y295-I304 HydrophobicContact CD1-CB 4.36Å; Y295-I304 HydrophobicContact CD1-CG2 4.4Å; Y295-I304 HydrophobicContact CE1-CB 3.92Å; Y295-I304 HydrophobicContact CE1-CG1 4.26Å; Y295-I304 HydrophobicContact CE1-CG2 3.78Å; A301-I304 WeakPolarHBondContact O-CA 3.39Å; A301-I304 PolarHBondContact O-N 3.26Å; Q302-I304 PolarHBondContact O-N 3.36Å; I304-R310 PolarHBondContact O-NH1 2.78Å
305	Y	86.9	Confident	88.7	Confident	7 Å²	7	27.6 Å²	27.6	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-87.4	-25.3	-170.1	71	-107.5	0	0	0	114.7	Y295 A301 Q302 G307 M468 V471 V544	Y295-Y305 WeakPolarHBondContact O-CE1 3.35Å; A301-Y305 VanDerWaalsContact C-CE1 3.42Å; A301-Y305 HydrophobicContact CB-CD1 4.23Å; A301-Y305 HydrophobicContact CB-CE1 4.21Å; A301-Y305 WeakPolarHBondContact O-CD1 3.41Å; A301-Y305 PolarHBondContact O-N 3.47Å; A301-Y305 VanDerWaalsContact O-N 3.12Å; Q302-Y305 HydrophobicContact CB-CE1 4.19Å; Q302-Y305 HydrophobicContact CG-CE1 3.74Å; Q302-Y305 HydrophobicContact CG-CE2 3.85Å; Q302-Y305 WeakPolarHBondContact CG-OH 3.32Å; Q302-Y305 PolarHBondContact O-N 3.14Å; Y305-G307 PolarHBondContact O-N 3.08Å; Y305-M468 HydrophobicContact CD2-CG 4.4Å; Y305-M468 HydrophobicContact CD2-SD 3.62Å; Y305-M468 HydrophobicContact CE2-SD 3.59Å; Y305-M468 VanDerWaalsContact CE2-SD 3.59Å; Y305-V471 HydrophobicContact CD1-CG2 4.14Å; Y305-V471 HydrophobicContact CD2-CB 4.04Å; Y305-V471 HydrophobicContact CD2-CG2 4.25Å; Y305-V471 HydrophobicContact CE1-CG2 4.41Å; Y305-V471 HydrophobicContact CE2-CB 4.19Å; Y305-V471 HydrophobicContact CG-CB 4.34Å; Y305-V471 HydrophobicContact CG-CG2 4.04Å; Y305-V544 HydrophobicContact CE2-CG2 4.38Å
306	N	87	Confident	89	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.			trans	-77.5	69.2	173.9	-167	-2.3	0	0	0	110	Q302 T308 S466 M468 L537 I540 Y556	Q302-N306 WeakPolarHBondContact O-CA 3.33Å; Q302-N306 WeakPolarHBondContact O-CB 3.28Å; Q302-N306 PolarHBondContact O-N 3.37Å; N306-T308 PolarHBondContact O-N 3.07Å; N306-T308 VanDerWaalsContact O-N 3.17Å; N306-S466 PolarHBondContact OD1-OG 2.89Å; N306-M468 HydrophobicContact CB-SD 4.09Å; N306-L537 PolarHBondContact ND2-O 3.47Å; N306-I540 WeakPolarHBondContact ND2-CG2 3.4Å; N306-Y556 PolarHBondContact ND2-OH 3.18Å
307	G	69.3	Low	89.3	Confident	4 Å²	4	26.5 Å²	26.5	4%	0.041	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.9	-168.3	0	0	0	0	0	116.4	Y305 F309 R310	Y305-G307 PolarHBondContact O-N 3.08Å; G307-F309 VanDerWaalsContact C-N 3.26Å; G307-F309 PolarHBondContact O-N 3.42Å; G307-R310 WeakPolarHBondContact O-CB 3.47Å; G307-R310 WeakPolarHBondContact O-CG 3.36Å; G307-R310 PolarHBondContact O-N 2.91Å
308	T	78.4	Confident	89.6	Confident	4 Å²	4	22.3 Å²	22.3	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-57.2	-42.1	-172.7	-54.5	0	0	0	0	111.7	N306 R310 S466 V467 Y489 W495	N306-T308 PolarHBondContact O-N 3.07Å; N306-T308 VanDerWaalsContact O-N 3.17Å; T308-R310 PolarHBondContact O-N 3.38Å; T308-S466 PolarHBondContact OG1-OG 3.35Å; T308-V467 PolarHBondContact OG1-O 2.84Å; T308-Y489 HydrophobicContact CG2-CE2 4.19Å; T308-W495 HydrophobicContact CG2-CH2 3.53Å; T308-W495 HydrophobicContact CG2-CZ3 4.04Å; T308-W495 WeakPolarHBondContact O-CH2 3.46Å; T308-W495 WeakPolarHBondContact O-CZ3 3.05Å
309	F	83.9	Confident	89.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-83.4	-12.7	-173.5	-56.5	-70.1	0	0	0	114.7	W271 G307 V311 A312 C536 L537 Y556 S560 W564	W271-F309 HydrophobicContact CH2-CB 4.43Å; G307-F309 VanDerWaalsContact C-N 3.26Å; G307-F309 PolarHBondContact O-N 3.42Å; F309-V311 VanDerWaalsContact C-N 3.31Å; F309-V311 PolarHBondContact O-N 3.48Å; F309-A312 WeakPolarHBondContact O-CB 3.26Å; F309-A312 PolarHBondContact O-N 3.49Å; F309-A312 VanDerWaalsContact O-N 3.14Å; F309-C536 HydrophobicContact CD1-CB 4.43Å; F309-C536 HydrophobicContact CE1-CB 4.17Å; F309-C536 HydrophobicContact CE2-CB 4.26Å; F309-C536 WeakPolarHBondContact CE2-O 3.45Å; F309-C536 HydrophobicContact CZ-CB 4.08Å; F309-L537 HydrophobicContact CB-CD2 4.49Å; F309-L537 HydrophobicContact CD2-CD2 4.09Å; F309-Y556 WeakPolarHBondContact CE2-OH 3.15Å; F309-Y556 HydrophobicContact CZ-CE1 4.21Å; F309-Y556 AromaticContact CZ-CZ 3.95Å; F309-S560 VanDerWaalsContact CE1-CB 3.47Å; F309-S560 WeakPolarHBondContact CE1-OG 3.44Å; F309-S560 VanDerWaalsContact CZ-CB 3.47Å; F309-S560 WeakPolarHBondContact CZ-OG 3.05Å; F309-W564 HydrophobicContact CB-CD2 3.61Å; F309-W564 HydrophobicContact CB-CE3 3.71Å; F309-W564 HydrophobicContact CB-CG 4.24Å; F309-W564 HydrophobicContact CB-CH2 3.87Å; F309-W564 HydrophobicContact CB-CZ2 3.76Å; F309-W564 HydrophobicContact CB-CZ3 3.85Å; F309-W564 HydrophobicContact CD1-CB 3.93Å; F309-W564 AromaticContact CD1-CD2 3.99Å; F309-W564 HydrophobicContact CD1-CD2 3.99Å; F309-W564 HydrophobicContact CD1-CE3 4.11Å; F309-W564 AromaticContact CD1-CG 3.92Å; F309-W564 HydrophobicContact CD1-CG 3.92Å; F309-W564 HydrophobicContact CE1-CB 4.49Å; F309-W564 HydrophobicContact CG-CD2 4.03Å; F309-W564 AromaticContact CG-CE3 3.91Å; F309-W564 HydrophobicContact CG-CE3 3.91Å; F309-W564 HydrophobicContact CG-CG 4.43Å; F309-W564 HydrophobicContact CG-CZ3 4.32Å; F309-W564 PolarHBondContact O-NE1 2.75Å
310	R	85.1	Confident	90.2	Very high	21 Å²	21	13.4 Å²	13.4	8%	0.079	7%	0.069	C	C	.	.	H	α-helix	trans	-57.2	-45.3	-176.1	-58.5	-171.5	-58.7	-121.2	5.2	112	T268 W271 I272 S275 I304 G307 T308	T268-R310 WeakPolarHBondContact CG2-O 3.17Å; W271-R310 HydrophobicContact CD2-CB 4.39Å; W271-R310 HydrophobicContact CD2-CG 3.71Å; W271-R310 VanDerWaalsContact CE2-CG 3.41Å; W271-R310 HydrophobicContact CE3-CB 4.37Å; W271-R310 HydrophobicContact CE3-CG 4.08Å; W271-R310 HydrophobicContact CG-CG 4.28Å; W271-R310 HydrophobicContact CH2-CG 3.89Å; W271-R310 HydrophobicContact CZ2-CG 3.52Å; W271-R310 HydrophobicContact CZ3-CB 4.44Å; W271-R310 HydrophobicContact CZ3-CG 4.15Å; I272-R310 HydrophobicContact CG1-CB 3.76Å; S275-R310 WeakPolarHBondContact OG-CD 3.32Å; S275-R310 PolarHBondContact OG-NH1 3.47Å; I304-R310 PolarHBondContact O-NH1 2.78Å; G307-R310 WeakPolarHBondContact O-CB 3.47Å; G307-R310 WeakPolarHBondContact O-CG 3.36Å; G307-R310 PolarHBondContact O-N 2.91Å; T308-R310 PolarHBondContact O-N 3.38Å
311	V	88.6	Confident	90.3	Very high	7 Å²	7	10.8 Å²	10.8	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-81.3	-28.2	-178.3	-174.7	0	0	0	0	111.2	I272 F309 T313 F314 F315 W413 Y414	I272-V311 HydrophobicContact CD1-CG2 4.45Å; F309-V311 VanDerWaalsContact C-N 3.31Å; F309-V311 PolarHBondContact O-N 3.48Å; V311-T313 VanDerWaalsContact C-N 3.26Å; V311-T313 PolarHBondContact O-N 2.9Å; V311-F314 PolarHBondContact O-N 3.22Å; V311-F315 HydrophobicContact CG1-CD2 4.23Å; V311-F315 HydrophobicContact CG1-CE2 3.82Å; V311-F315 PolarHBondContact O-N 3.19Å; V311-W413 HydrophobicContact CB-CH2 4.28Å; V311-W413 HydrophobicContact CB-CZ2 4.16Å; V311-W413 HydrophobicContact CG1-CH2 3.82Å; V311-W413 HydrophobicContact CG1-CZ2 3.92Å; V311-W413 HydrophobicContact CG2-CZ2 4.02Å; V311-Y414 HydrophobicContact CG1-CD2 3.18Å; V311-Y414 HydrophobicContact CG1-CE2 4Å; V311-Y414 HydrophobicContact CG1-CG 3.54Å
312	A	93.8	Very high	90.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.5	-35.1	-179.8	0	0	0	0	0	113.3	F309 F314 F315 V316 W495 W564	F309-A312 WeakPolarHBondContact O-CB 3.26Å; F309-A312 PolarHBondContact O-N 3.49Å; F309-A312 VanDerWaalsContact O-N 3.14Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.01Å; A312-F315 PolarHBondContact O-N 3.18Å; A312-V316 WeakPolarHBondContact O-CG2 3.38Å; A312-V316 PolarHBondContact O-N 3.05Å; A312-V316 VanDerWaalsContact O-N 3.12Å; A312-W495 HydrophobicContact CB-CE3 3.93Å; A312-W495 HydrophobicContact CB-CZ3 3.85Å; A312-W564 VanDerWaalsContact CB-CD1 3.41Å; A312-W564 HydrophobicContact CB-CG 4.26Å
313	T	95.3	Very high	90.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.7	-39.1	175.4	-57	0	0	0	0	112.1	I264 T268 V311 V316 I317 W564 W568	I264-T313 HydrophobicContact CG2-CG2 3.79Å; T268-T313 HydrophobicContact CG2-CG2 4.35Å; V311-T313 VanDerWaalsContact C-N 3.26Å; V311-T313 PolarHBondContact O-N 2.9Å; T313-V316 PolarHBondContact O-N 3.47Å; T313-I317 HydrophobicContact CG2-CD1 4.11Å; T313-I317 WeakPolarHBondContact O-CG1 3.35Å; T313-I317 PolarHBondContact O-N 3.24Å; T313-I317 VanDerWaalsContact O-N 3.1Å; T313-W564 WeakPolarHBondContact OG1-CZ2 3.19Å; T313-W564 PolarHBondContact OG1-NE1 3.38Å; T313-W568 HydrophobicContact CG2-CD2 3.92Å; T313-W568 HydrophobicContact CG2-CG 4.18Å; T313-W568 HydrophobicContact CG2-CZ2 4.14Å; T313-W568 PolarHBondContact OG1-NE1 3.23Å
314	F	95.6	Very high	90.7	Very high	25 Å²	25	10 Å²	10	11%	0.11	5%	0.049	C	C	.	.	H	α-helix	trans	-70.8	-35.2	178.6	-78.3	-71	0	0	0	112.6	R265 T268 M269 I272 V311 A312 V316 I317 S318 Y414 T599	R265-F314 HydrophobicContact CB-CE1 4.19Å; R265-F314 HydrophobicContact CG-CE1 3.96Å; T268-F314 HydrophobicContact CG2-CD2 3.73Å; T268-F314 HydrophobicContact CG2-CE2 3.42Å; T268-F314 VanDerWaalsContact CG2-CE2 3.42Å; T268-F314 HydrophobicContact CG2-CZ 4.2Å; M269-F314 HydrophobicContact CB-CZ 4.49Å; I272-F314 HydrophobicContact CD1-CD2 3.84Å; I272-F314 HydrophobicContact CD1-CE2 3.56Å; V311-F314 PolarHBondContact O-N 3.22Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.01Å; F314-V316 VanDerWaalsContact C-N 3.34Å; F314-V316 PolarHBondContact O-N 2.89Å; F314-I317 PolarHBondContact O-N 2.77Å; F314-S318 VanDerWaalsContact O-CB 3.26Å; F314-S318 WeakPolarHBondContact O-CB 3.27Å; F314-S318 PolarHBondContact O-N 3.29Å; F314-Y414 HydrophobicContact CB-CE1 4.25Å; F314-Y414 HydrophobicContact CB-CE2 3.82Å; F314-Y414 WeakPolarHBondContact CB-OH 3.15Å; F314-T599 HydrophobicContact CE1-CG2 4.2Å; F314-T599 HydrophobicContact CZ-CG2 3.98Å
315	F	96.7	Very high	90.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-41.8	171.8	-75.5	-64.7	0	0	0	112.3	V311 A312 S318 G319 W413 Y414 A417 D418 L421 W495 Y499	V311-F315 HydrophobicContact CG1-CD2 4.23Å; V311-F315 HydrophobicContact CG1-CE2 3.82Å; V311-F315 PolarHBondContact O-N 3.19Å; A312-F315 PolarHBondContact O-N 3.18Å; F315-S318 PolarHBondContact O-N 3.44Å; F315-G319 PolarHBondContact O-N 3.06Å; F315-W413 HydrophobicContact CE2-CH2 4.03Å; F315-W413 HydrophobicContact CE2-CZ3 4.05Å; F315-W413 HydrophobicContact CZ-CH2 4.38Å; F315-W413 AromaticContact CZ-CZ3 3.95Å; F315-W413 HydrophobicContact CZ-CZ3 3.95Å; F315-Y414 HydrophobicContact CD1-CD2 4.21Å; F315-Y414 AromaticContact CD1-CE2 3.77Å; F315-Y414 HydrophobicContact CD1-CE2 3.77Å; F315-Y414 HydrophobicContact CD2-CD2 4.05Å; F315-Y414 HydrophobicContact CD2-CE2 4.01Å; F315-Y414 AromaticContact CE1-CD2 3.74Å; F315-Y414 HydrophobicContact CE1-CD2 3.74Å; F315-Y414 AromaticContact CE1-CE2 3.73Å; F315-Y414 HydrophobicContact CE1-CE2 3.73Å; F315-Y414 AromaticContact CE2-CD2 3.58Å; F315-Y414 HydrophobicContact CE2-CD2 3.58Å; F315-Y414 AromaticContact CE2-CE2 3.99Å; F315-Y414 HydrophobicContact CE2-CE2 3.99Å; F315-Y414 HydrophobicContact CG-CD2 4.37Å; F315-Y414 AromaticContact CG-CE2 3.93Å; F315-Y414 HydrophobicContact CG-CE2 3.93Å; F315-Y414 AromaticContact CZ-CD2 3.42Å; F315-Y414 HydrophobicContact CZ-CD2 3.42Å; F315-Y414 VanDerWaalsContact CZ-CD2 3.42Å; F315-Y414 AromaticContact CZ-CE2 3.86Å; F315-Y414 HydrophobicContact CZ-CE2 3.86Å; F315-A417 HydrophobicContact CE1-CB 4.01Å; F315-A417 HydrophobicContact CZ-CB 3.79Å; F315-D418 HydrophobicContact CD1-CB 4.46Å; F315-D418 HydrophobicContact CE1-CB 4.09Å; F315-L421 HydrophobicContact CD1-CD1 3.9Å; F315-L421 HydrophobicContact CE1-CD1 3.77Å; F315-W495 HydrophobicContact CD1-CB 4.49Å; F315-W495 HydrophobicContact CD2-CB 3.64Å; F315-W495 HydrophobicContact CD2-CD2 4.09Å; F315-W495 HydrophobicContact CD2-CE3 4.4Å; F315-W495 AromaticContact CD2-CG 3.75Å; F315-W495 HydrophobicContact CD2-CG 3.75Å; F315-W495 HydrophobicContact CE1-CB 4.41Å; F315-W495 HydrophobicContact CE2-CB 3.52Å; F315-W495 AromaticContact CE2-CD1 3.56Å; F315-W495 AromaticContact CE2-CD2 3.75Å; F315-W495 HydrophobicContact CE2-CD2 3.75Å; F315-W495 HydrophobicContact CE2-CE3 4.46Å; F315-W495 AromaticContact CE2-CG 3.26Å; F315-W495 HydrophobicContact CE2-CG 3.26Å; F315-W495 HydrophobicContact CG-CB 4.12Å; F315-W495 HydrophobicContact CZ-CB 3.93Å; F315-W495 AromaticContact CZ-CD1 3.81Å; F315-W495 AromaticContact CZ-CG 3.84Å; F315-W495 HydrophobicContact CZ-CG 3.84Å; F315-Y499 HydrophobicContact CB-CD2 4.5Å; F315-Y499 HydrophobicContact CD1-CD2 4.18Å
316	V	96.8	Very high	90.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-49.4	176.4	178.1	0	0	0	0	110.6	A312 T313 F314 S318 G319 A320 S498 G502 W568	A312-V316 WeakPolarHBondContact O-CG2 3.38Å; A312-V316 PolarHBondContact O-N 3.05Å; A312-V316 VanDerWaalsContact O-N 3.12Å; T313-V316 PolarHBondContact O-N 3.47Å; F314-V316 VanDerWaalsContact C-N 3.34Å; F314-V316 PolarHBondContact O-N 2.89Å; V316-S318 VanDerWaalsContact C-N 3.3Å; V316-S318 PolarHBondContact O-N 2.89Å; V316-G319 PolarHBondContact O-N 2.57Å; V316-A320 VanDerWaalsContact O-CB 3.31Å; V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 3.27Å; V316-S498 WeakPolarHBondContact CG2-O 3.14Å; V316-G502 WeakPolarHBondContact O-CA 3.23Å; V316-W568 HydrophobicContact CG1-CB 4.19Å
317	I	95.4	Very high	91	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-42.8	178.7	-66.8	170	0	0	0	110.6	L261 I264 R265 T313 F314 A320 L321	L261-I317 HydrophobicContact CD2-CD1 4.35Å; L261-I317 HydrophobicContact CD2-CG1 4.03Å; L261-I317 HydrophobicContact CD2-CG2 4.31Å; I264-I317 HydrophobicContact CG2-CD1 3.89Å; R265-I317 HydrophobicContact CG-CD1 4.15Å; T313-I317 HydrophobicContact CG2-CD1 4.11Å; T313-I317 WeakPolarHBondContact O-CG1 3.35Å; T313-I317 PolarHBondContact O-N 3.24Å; T313-I317 VanDerWaalsContact O-N 3.1Å; F314-I317 PolarHBondContact O-N 2.77Å; I317-A320 PolarHBondContact O-N 3.07Å; I317-L321 HydrophobicContact CG2-CD1 3.71Å; I317-L321 HydrophobicContact CG2-CG 4.29Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.42Å; I317-L321 PolarHBondContact O-N 3.25Å
318	S	95.1	Very high	91.9	Very high	15 Å²	15	12.4 Å²	12.4	11%	0.105	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-48.9	-179.6	-178.4	0	0	0	0	112.1	F314 F315 V316 A320 F322 R351 D418	F314-S318 VanDerWaalsContact O-CB 3.26Å; F314-S318 WeakPolarHBondContact O-CB 3.27Å; F314-S318 PolarHBondContact O-N 3.29Å; F315-S318 PolarHBondContact O-N 3.44Å; V316-S318 VanDerWaalsContact C-N 3.3Å; V316-S318 PolarHBondContact O-N 2.89Å; S318-A320 VanDerWaalsContact C-N 3.35Å; S318-A320 PolarHBondContact O-N 3.36Å; S318-F322 WeakPolarHBondContact O-CB 3.38Å; S318-F322 PolarHBondContact O-N 2.78Å; S318-R351 PolarHBondContact OG-NH2 3.02Å; S318-D418 WeakPolarHBondContact CB-OD1 3.49Å; S318-D418 PolarHBondContact OG-OD1 2.77Å; S318-D418 PolarHBondContact OG-OD2 2.81Å
319	G	96.6	Very high	92.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-45.8	175.4	0	0	0	0	0	111.8	F315 V316 F322 S323 M503	F315-G319 PolarHBondContact O-N 3.06Å; V316-G319 PolarHBondContact O-N 2.57Å; G319-F322 PolarHBondContact O-N 2.8Å; G319-S323 WeakPolarHBondContact O-CB 3.4Å; G319-S323 PolarHBondContact O-N 3.03Å; G319-M503 WeakPolarHBondContact O-CA 3.45Å
320	A	95.6	Very high	92.4	Very high	7 Å²	7	15.3 Å²	15.3	6%	0.058	8%	0.082	C	C	.	.	H	α-helix	trans	-62.5	-50.6	-179.3	0	0	0	0	0	112.6	V316 I317 S318 F322 S323 Y324 G502 F505 G506	V316-A320 VanDerWaalsContact O-CB 3.31Å; V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 3.27Å; I317-A320 PolarHBondContact O-N 3.07Å; S318-A320 VanDerWaalsContact C-N 3.35Å; S318-A320 PolarHBondContact O-N 3.36Å; A320-F322 VanDerWaalsContact C-N 3.32Å; A320-F322 PolarHBondContact O-N 2.83Å; A320-S323 PolarHBondContact O-N 2.72Å; A320-Y324 WeakPolarHBondContact O-CB 3.48Å; A320-Y324 PolarHBondContact O-N 2.94Å; A320-G502 WeakPolarHBondContact CA-O 3.37Å; A320-G502 VanDerWaalsContact CB-O 3.32Å; A320-G502 WeakPolarHBondContact CB-O 3.47Å; A320-G502 VanDerWaalsContact N-C 3.3Å; A320-G502 PolarHBondContact N-O 3.24Å; A320-F505 HydrophobicContact CB-CD1 3.9Å; A320-F505 HydrophobicContact CB-CE1 4.49Å; A320-G506 WeakPolarHBondContact O-CA 3.37Å
321	L	93.4	Very high	92.5	Very high	47 Å²	47	18.6 Å²	18.6	25%	0.246	9%	0.094	C	C	.	.	H	α-helix	trans	-67.7	-34.5	179.1	-69.1	177.2	0	0	0	112.2	L261 I317 S325	L261-L321 HydrophobicContact CD1-CD1 4.34Å; L261-L321 HydrophobicContact CD1-CD2 3.85Å; L261-L321 HydrophobicContact CD1-CG 4.35Å; I317-L321 HydrophobicContact CG2-CD1 3.71Å; I317-L321 HydrophobicContact CG2-CG 4.29Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.42Å; I317-L321 PolarHBondContact O-N 3.25Å; L321-S325 WeakPolarHBondContact O-CB 3.4Å; L321-S325 PolarHBondContact O-N 3.2Å; L321-S325 PolarHBondContact O-OG 3.39Å
322	F	94.1	Very high	92.3	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-58.8	174	167.7	-133.4	0	0	0	110.4	S318 G319 A320 Y324 S325 M326 F422 F426 V429 Y499	S318-F322 WeakPolarHBondContact O-CB 3.38Å; S318-F322 PolarHBondContact O-N 2.78Å; G319-F322 PolarHBondContact O-N 2.8Å; A320-F322 VanDerWaalsContact C-N 3.32Å; A320-F322 PolarHBondContact O-N 2.83Å; F322-Y324 PolarHBondContact O-N 2.9Å; F322-S325 PolarHBondContact O-OG 2.78Å; F322-M326 HydrophobicContact CD2-CB 4.08Å; F322-M326 HydrophobicContact CE2-CB 3.74Å; F322-M326 HydrophobicContact CE2-CG 3.87Å; F322-M326 HydrophobicContact CZ-CG 4.44Å; F322-M326 WeakPolarHBondContact O-CB 3.47Å; F322-M326 PolarHBondContact O-N 2.8Å; F322-F422 AromaticContact CD1-CD2 3.92Å; F322-F422 HydrophobicContact CD1-CD2 3.92Å; F322-F422 AromaticContact CD2-CD2 3.52Å; F322-F422 HydrophobicContact CD2-CD2 3.52Å; F322-F422 AromaticContact CD2-CE2 3.43Å; F322-F422 HydrophobicContact CD2-CE2 3.43Å; F322-F422 VanDerWaalsContact CD2-CE2 3.43Å; F322-F422 AromaticContact CE1-CD2 3.93Å; F322-F422 HydrophobicContact CE1-CD2 3.93Å; F322-F422 HydrophobicContact CE1-CE2 4.41Å; F322-F422 AromaticContact CE2-CD2 3.59Å; F322-F422 HydrophobicContact CE2-CD2 3.59Å; F322-F422 AromaticContact CE2-CE2 3.27Å; F322-F422 HydrophobicContact CE2-CE2 3.27Å; F322-F422 HydrophobicContact CE2-CZ 4.45Å; F322-F422 AromaticContact CG-CD2 3.72Å; F322-F422 HydrophobicContact CG-CD2 3.72Å; F322-F422 HydrophobicContact CG-CE2 4.13Å; F322-F422 AromaticContact CZ-CD2 3.8Å; F322-F422 HydrophobicContact CZ-CD2 3.8Å; F322-F422 AromaticContact CZ-CE2 3.81Å; F322-F422 HydrophobicContact CZ-CE2 3.81Å; F322-F426 AromaticContact CE2-CD2 3.96Å; F322-F426 HydrophobicContact CE2-CD2 3.96Å; F322-F426 HydrophobicContact CE2-CE2 4.34Å; F322-F426 HydrophobicContact CZ-CB 4.34Å; F322-F426 AromaticContact CZ-CD2 3.77Å; F322-F426 HydrophobicContact CZ-CD2 3.77Å; F322-F426 HydrophobicContact CZ-CG 4.36Å; F322-V429 HydrophobicContact CD1-CG2 4.08Å; F322-V429 HydrophobicContact CE1-CB 4.17Å; F322-V429 HydrophobicContact CE1-CG2 3.42Å; F322-V429 VanDerWaalsContact CE1-CG2 3.42Å; F322-V429 HydrophobicContact CZ-CB 4.02Å; F322-V429 HydrophobicContact CZ-CG1 4.41Å; F322-V429 HydrophobicContact CZ-CG2 3.79Å; F322-Y499 WeakPolarHBondContact CD1-OH 3.32Å
323	S	94.8	Very high	91.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-52.8	-178.4	-176.8	0	0	0	0	111.5	G319 A320 S325 M326 L327 M503 Y507	G319-S323 WeakPolarHBondContact O-CB 3.4Å; G319-S323 PolarHBondContact O-N 3.03Å; A320-S323 PolarHBondContact O-N 2.72Å; S323-S325 PolarHBondContact O-N 2.83Å; S323-M326 PolarHBondContact O-N 2.97Å; S323-L327 WeakPolarHBondContact O-CB 3.46Å; S323-L327 WeakPolarHBondContact O-CD1 3.3Å; S323-L327 WeakPolarHBondContact O-CG 3.12Å; S323-L327 PolarHBondContact O-N 2.95Å; S323-M503 WeakPolarHBondContact CB-O 3.42Å; S323-M503 PolarHBondContact OG-O 3.31Å; S323-Y507 PolarHBondContact OG-N 2.97Å
324	Y	92.2	Very high	91	Very high	48 Å²	48	28.3 Å²	28.3	19%	0.188	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-50.1	-178.5	176.1	-101.7	0	0	0	113.1	S256 A320 F322 M326 G328 L509 F510	S256-Y324 VanDerWaalsContact CB-CE1 3.47Å; S256-Y324 WeakPolarHBondContact O-CE1 3.37Å; A320-Y324 WeakPolarHBondContact O-CB 3.48Å; A320-Y324 PolarHBondContact O-N 2.94Å; F322-Y324 PolarHBondContact O-N 2.9Å; Y324-M326 VanDerWaalsContact C-N 3.35Å; Y324-M326 PolarHBondContact O-N 3.4Å; Y324-G328 PolarHBondContact O-N 2.81Å; Y324-L509 HydrophobicContact CD2-CB 4.31Å; Y324-L509 HydrophobicContact CD2-CD2 4.2Å; Y324-L509 HydrophobicContact CD2-CG 4.09Å; Y324-L509 HydrophobicContact CE2-CG 4.22Å; Y324-F510 HydrophobicContact CD2-CB 3.91Å; Y324-F510 HydrophobicContact CD2-CD2 4.35Å; Y324-F510 HydrophobicContact CE2-CB 4.45Å; Y324-F510 HydrophobicContact CE2-CD2 4.44Å
325	S	89.1	Confident	90	Very high	48 Å²	48	35.2 Å²	35.2	34%	0.336	17%	0.167	S	C	.	.	H	α-helix	trans	-72.2	-29.2	-179.1	70.7	0	0	0	0	113.1	L321 F322 S323 R329	L321-S325 WeakPolarHBondContact O-CB 3.4Å; L321-S325 PolarHBondContact O-N 3.2Å; L321-S325 PolarHBondContact O-OG 3.39Å; F322-S325 PolarHBondContact O-OG 2.78Å; S323-S325 PolarHBondContact O-N 2.83Å; S325-R329 WeakPolarHBondContact O-CG 3.46Å; S325-R329 PolarHBondContact O-N 3.02Å; S325-R329 PolarHBondContact O-NE 3.26Å
326	M	90.4	Very high	89.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.7	-46.1	178.8	-175.7	60.4	-175.7	0	0	110.7	F322 S323 Y324 G328 R329 A330 F343 T347 F426 V429 L430	F322-M326 HydrophobicContact CD2-CB 4.08Å; F322-M326 HydrophobicContact CE2-CB 3.74Å; F322-M326 HydrophobicContact CE2-CG 3.87Å; F322-M326 HydrophobicContact CZ-CG 4.44Å; F322-M326 WeakPolarHBondContact O-CB 3.47Å; F322-M326 PolarHBondContact O-N 2.8Å; S323-M326 PolarHBondContact O-N 2.97Å; Y324-M326 VanDerWaalsContact C-N 3.35Å; Y324-M326 PolarHBondContact O-N 3.4Å; M326-G328 VanDerWaalsContact C-N 3.32Å; M326-G328 PolarHBondContact O-N 3.38Å; M326-R329 PolarHBondContact O-N 3.37Å; M326-R329 VanDerWaalsContact O-N 3.17Å; M326-A330 HydrophobicContact CE-CB 4.38Å; M326-A330 WeakPolarHBondContact O-CB 3.47Å; M326-A330 PolarHBondContact O-N 3.49Å; M326-F343 HydrophobicContact CE-CD1 4.29Å; M326-F343 HydrophobicContact CE-CE1 3.33Å; M326-F343 HydrophobicContact CE-CZ 3.73Å; M326-F343 HydrophobicContact SD-CE1 4.3Å; M326-F343 HydrophobicContact SD-CZ 4.09Å; M326-T347 HydrophobicContact SD-CG2 3.89Å; M326-F426 HydrophobicContact CE-CE1 3.98Å; M326-F426 HydrophobicContact CE-CE2 3.63Å; M326-F426 HydrophobicContact CE-CZ 3.24Å; M326-F426 HydrophobicContact SD-CE2 4.04Å; M326-F426 HydrophobicContact SD-CZ 4.22Å; M326-V429 HydrophobicContact CB-CG1 3.91Å; M326-V429 HydrophobicContact CG-CG1 3.79Å; M326-L430 HydrophobicContact CE-CD2 3.62Å; M326-L430 HydrophobicContact CE-CG 4.41Å
327	L	91.8	Very high	88	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-43.7	176.7	-70.4	165.6	0	0	0	111.5	S323 R329 A330 R331 V429 L432 L433 Y507 F510	S323-L327 WeakPolarHBondContact O-CB 3.46Å; S323-L327 WeakPolarHBondContact O-CD1 3.3Å; S323-L327 WeakPolarHBondContact O-CG 3.12Å; S323-L327 PolarHBondContact O-N 2.95Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 2.93Å; L327-A330 PolarHBondContact O-N 3.44Å; L327-R331 WeakPolarHBondContact O-CB 3.37Å; L327-R331 PolarHBondContact O-N 3.33Å; L327-V429 HydrophobicContact CD2-CG1 4.27Å; L327-V429 HydrophobicContact CG-CG1 4.14Å; L327-L432 HydrophobicContact CD2-CB 4.41Å; L327-L433 HydrophobicContact CD2-CB 3.93Å; L327-L433 HydrophobicContact CD2-CD1 4.31Å; L327-Y507 HydrophobicContact CD1-CD2 3.68Å; L327-Y507 HydrophobicContact CD1-CG 4.3Å; L327-F510 HydrophobicContact CB-CD1 3.88Å; L327-F510 HydrophobicContact CB-CD2 4.07Å; L327-F510 HydrophobicContact CB-CE1 4.07Å; L327-F510 HydrophobicContact CB-CE2 4.27Å; L327-F510 HydrophobicContact CB-CG 3.87Å; L327-F510 HydrophobicContact CB-CZ 4.25Å; L327-F510 HydrophobicContact CD1-CB 4.08Å; L327-F510 HydrophobicContact CD1-CD1 4.2Å; L327-F510 HydrophobicContact CD1-CG 4.21Å
328	G	87.2	Confident	87.1	Confident	23 Å²	23	50 Å²	50	24%	0.237	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-38.5	176.1	0	0	0	0	0	113.9	Y324 M326 K332 F510	Y324-G328 PolarHBondContact O-N 2.81Å; M326-G328 VanDerWaalsContact C-N 3.32Å; M326-G328 PolarHBondContact O-N 3.38Å; G328-K332 WeakPolarHBondContact O-CG 3.4Å; G328-F510 VanDerWaalsContact CA-CE2 3.45Å
329	R	85.9	Confident	86.3	Confident	64 Å²	64	51.3 Å²	51.3	24%	0.242	25%	0.247	C	C	.	.	H	α-helix	trans	-77.1	-44.1	177.2	-71.9	179.3	-70.8	146.4	0.5	112.3	S325 M326 L327 K332 R333 F343	S325-R329 WeakPolarHBondContact O-CG 3.46Å; S325-R329 PolarHBondContact O-N 3.02Å; S325-R329 PolarHBondContact O-NE 3.26Å; M326-R329 PolarHBondContact O-N 3.37Å; M326-R329 VanDerWaalsContact O-N 3.17Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 2.93Å; R329-K332 PolarHBondContact O-N 3.39Å; R329-R333 PolarHBondContact O-N 3.44Å; R329-F343 HydrophobicContact CB-CE2 4.49Å; R329-F343 HydrophobicContact CB-CZ 4.24Å
330	A	87.2	Confident	85.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-38.1	-177.7	0	0	0	0	0	111.5	M326 L327 R333 C334 L339 F343 L430 L433	M326-A330 HydrophobicContact CE-CB 4.38Å; M326-A330 WeakPolarHBondContact O-CB 3.47Å; M326-A330 PolarHBondContact O-N 3.49Å; L327-A330 PolarHBondContact O-N 3.44Å; A330-R333 PolarHBondContact O-N 2.03Å; A330-C334 WeakPolarHBondContact O-CB 3.43Å; A330-C334 PolarHBondContact O-N 3.21Å; A330-L339 HydrophobicContact CB-CD2 4.12Å; A330-F343 HydrophobicContact CB-CE1 4.17Å; A330-F343 HydrophobicContact CB-CZ 4.35Å; A330-L430 HydrophobicContact CB-CD2 4.21Å; A330-L433 HydrophobicContact CB-CD2 3.72Å
331	R	86.7	Confident	85.3	Confident	90 Å²	90	64 Å²	64	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-48.1	175.2	-176	178.7	177.2	170.4	3.2	111.9	L327 R333 C334 Y335 L433 F510 T685	L327-R331 WeakPolarHBondContact O-CB 3.37Å; L327-R331 PolarHBondContact O-N 3.33Å; R331-R333 VanDerWaalsContact C-N 3.34Å; R331-R333 PolarHBondContact O-N 2.94Å; R331-C334 PolarHBondContact O-N 3.45Å; R331-Y335 PolarHBondContact O-N 3.32Å; R331-Y335 VanDerWaalsContact O-N 3.17Å; R331-L433 HydrophobicContact CB-CD1 3.97Å; R331-L433 HydrophobicContact CG-CD1 4.41Å; R331-F510 HydrophobicContact CB-CZ 4.37Å; R331-T685 VanDerWaalsContact CZ-O 3.32Å; R331-T685 PolarHBondContact NH1-O 3.19Å; R331-T685 VanDerWaalsContact NH1-O 3.09Å; R331-T685 PolarHBondContact NH2-O 3.19Å; R331-T685 PolarHBondContact NH2-OG1 2.82Å
332	K	84.6	Confident	85.1	Confident	139 Å²	139	67.3 Å²	67.3	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-59.5	-43.3	178.1	-70.2	-178.9	179.7	-172.9	0	112	G328 R329 V675	G328-K332 WeakPolarHBondContact O-CG 3.4Å; R329-K332 PolarHBondContact O-N 3.39Å; K332-V675 HydrophobicContact CB-CG2 4.41Å
333	R	81.9	Confident	84.8	Confident	25 Å²	25	67 Å²	67	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-75.7	-30.7	177.5	-71.6	-153.6	-174.9	-169.9	5.2	114.5	R329 A330 R331 Y335 Q336 N337 E338 L339 F343 W672	R329-R333 PolarHBondContact O-N 3.44Å; A330-R333 PolarHBondContact O-N 2.03Å; R331-R333 VanDerWaalsContact C-N 3.34Å; R331-R333 PolarHBondContact O-N 2.94Å; R333-Y335 VanDerWaalsContact C-N 3.3Å; R333-Q336 CarbonylContact O-C 3.56Å; R333-Q336 PolarHBondContact O-N 3.34Å; R333-Q336 VanDerWaalsContact O-N 3.14Å; R333-N337 PolarHBondContact O-N 2.67Å; R333-E338 HydrophobicContact CB-CB 4.35Å; R333-E338 PolarHBondContact O-N 3.03Å; R333-L339 HydrophobicContact CB-CD2 4.25Å; R333-L339 HydrophobicContact CB-CG 4.45Å; R333-F343 VanDerWaalsContact NH1-CD2 3.35Å; R333-W672 PolarHBondContact NH2-O 2.86Å
334	C	79.1	Confident	84.6	Confident	47 Å²	47	68.6 Å²	68.6	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-43.3	175.5	-166.9	0	0	0	0	110.5	A330 R331 Q336 N337 L339 L433	A330-C334 WeakPolarHBondContact O-CB 3.43Å; A330-C334 PolarHBondContact O-N 3.21Å; R331-C334 PolarHBondContact O-N 3.45Å; C334-Q336 PolarHBondContact O-N 3.47Å; C334-N337 PolarHBondContact O-N 2.89Å; C334-L339 HydrophobicContact CB-CD1 3.53Å; C334-L339 HydrophobicContact CB-CG 4.15Å; C334-L433 HydrophobicContact CB-CD2 4.17Å
335	Y	76.3	Confident	84.6	Confident	170 Å²	170	70 Å²	70	67%	0.667	33%	0.332	S	S	*	.	H	α-helix	trans	-58.7	-31.8	174.8	-177.2	-105.3	0	0	0	112.5	R331 R333	R331-Y335 PolarHBondContact O-N 3.32Å; R331-Y335 VanDerWaalsContact O-N 3.17Å; R333-Y335 VanDerWaalsContact C-N 3.3Å
336	Q	76.7	Confident	84.6	Confident	77 Å²	77	68.5 Å²	68.5	36%	0.36	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.4	178.2	-63.2	177.9	-37.1	0	0	113.6	R333 C334 E338	R333-Q336 CarbonylContact O-C 3.56Å; R333-Q336 PolarHBondContact O-N 3.34Å; R333-Q336 VanDerWaalsContact O-N 3.14Å; C334-Q336 PolarHBondContact O-N 3.47Å; Q336-E338 HydrophobicContact CB-CB 4.5Å; Q336-E338 HydrophobicContact CB-CG 3.95Å; Q336-E338 PolarHBondContact O-N 3.39Å
337	N	73.1	Confident	84.7	Confident	147 Å²	147	68.7 Å²	68.7	79%	0.786	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	27.1	-171.4	-74.8	-27.2	0	0	0	114.6	R333 C334	R333-N337 PolarHBondContact O-N 2.67Å; C334-N337 PolarHBondContact O-N 2.89Å
338	E	76.5	Confident	84.7	Confident	94 Å²	94	70.8 Å²	70.8	44%	0.439	33%	0.332	S	S	.	.			trans	-101.3	17.2	-177.8	-63.9	-168.8	168.5	0	0	114	R333 Q336 N340	R333-E338 HydrophobicContact CB-CB 4.35Å; R333-E338 PolarHBondContact O-N 3.03Å; Q336-E338 HydrophobicContact CB-CB 4.5Å; Q336-E338 HydrophobicContact CB-CG 3.95Å; Q336-E338 PolarHBondContact O-N 3.39Å; E338-N340 PolarHBondContact O-N 2.92Å
339	L	78.7	Confident	85	Confident	42 Å²	42	73.2 Å²	73.2	22%	0.22	34%	0.34	C	S	.	.			trans	-74.6	69.2	174.1	-78.7	179.4	0	0	0	111.2	A330 R333 C334 F343 L433	A330-L339 HydrophobicContact CB-CD2 4.12Å; R333-L339 HydrophobicContact CB-CD2 4.25Å; R333-L339 HydrophobicContact CB-CG 4.45Å; C334-L339 HydrophobicContact CB-CD1 3.53Å; C334-L339 HydrophobicContact CB-CG 4.15Å; L339-F343 HydrophobicContact CD2-CD1 3.61Å; L339-F343 HydrophobicContact CD2-CE1 3.61Å; L339-L433 HydrophobicContact CD1-CD2 4.42Å
340	N	84.9	Confident	85.3	Confident	94 Å²	94	71.7 Å²	71.7	50%	0.503	34%	0.336	S	S	.	.			trans	-97.2	165.5	-179	-66	-18.3	0	0	0	112.1	E338 K342 F343 C344	E338-N340 PolarHBondContact O-N 2.92Å; N340-K342 PolarHBondContact O-N 3.48Å; N340-K342 VanDerWaalsContact O-N 3.15Å; N340-F343 WeakPolarHBondContact O-CB 3.27Å; N340-F343 PolarHBondContact O-N 3.38Å; N340-C344 PolarHBondContact O-N 3.04Å
341	W	87.3	Confident	85.5	Confident	178 Å²	178	73.3 Å²	73.3	67%	0.674	34%	0.342	S	S	*	.	H	α-helix	trans	-54.3	-35	175	80.1	-95.5	0	0	0	112.4	F343 C344 L345	W341-F343 VanDerWaalsContact C-N 3.31Å; W341-F343 PolarHBondContact O-N 3.05Å; W341-C344 WeakPolarHBondContact O-CB 3.3Å; W341-C344 PolarHBondContact O-N 3.38Å; W341-C344 VanDerWaalsContact O-N 3.11Å; W341-L345 HydrophobicContact CE3-CB 4.24Å; W341-L345 HydrophobicContact CE3-CD2 4.43Å; W341-L345 HydrophobicContact CH2-CD2 4.18Å; W341-L345 HydrophobicContact CZ3-CB 4.18Å; W341-L345 HydrophobicContact CZ3-CD2 3.55Å; W341-L345 HydrophobicContact CZ3-CG 4.43Å; W341-L345 PolarHBondContact O-N 3.12Å
342	K	88.6	Confident	85.9	Confident	118 Å²	118	71.6 Å²	71.6	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-39.2	175.1	-65.3	-176.3	-178.9	177.4	0	112.5	N340 C344 I346	N340-K342 PolarHBondContact O-N 3.48Å; N340-K342 VanDerWaalsContact O-N 3.15Å; K342-C344 VanDerWaalsContact C-N 3.33Å; K342-I346 WeakPolarHBondContact O-CB 3.46Å; K342-I346 WeakPolarHBondContact O-CD1 3.31Å; K342-I346 WeakPolarHBondContact O-CG1 3.25Å; K342-I346 PolarHBondContact O-N 3.21Å
343	F	87.7	Confident	86.3	Confident	1 Å²	1	68.6 Å²	68.6	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-41.9	176.3	172	-115.4	0	0	0	111.7	M326 R329 A330 R333 L339 N340 W341 T347	M326-F343 HydrophobicContact CE-CD1 4.29Å; M326-F343 HydrophobicContact CE-CE1 3.33Å; M326-F343 HydrophobicContact CE-CZ 3.73Å; M326-F343 HydrophobicContact SD-CE1 4.3Å; M326-F343 HydrophobicContact SD-CZ 4.09Å; R329-F343 HydrophobicContact CB-CE2 4.49Å; R329-F343 HydrophobicContact CB-CZ 4.24Å; A330-F343 HydrophobicContact CB-CE1 4.17Å; A330-F343 HydrophobicContact CB-CZ 4.35Å; R333-F343 VanDerWaalsContact NH1-CD2 3.35Å; L339-F343 HydrophobicContact CD2-CD1 3.61Å; L339-F343 HydrophobicContact CD2-CE1 3.61Å; N340-F343 WeakPolarHBondContact O-CB 3.27Å; N340-F343 PolarHBondContact O-N 3.38Å; W341-F343 VanDerWaalsContact C-N 3.31Å; W341-F343 PolarHBondContact O-N 3.05Å; F343-T347 WeakPolarHBondContact O-CB 3.4Å; F343-T347 PolarHBondContact O-N 2.93Å; F343-T347 PolarHBondContact O-OG1 3.27Å
344	C	90.8	Very high	86.8	Confident	32 Å²	32	73.5 Å²	73.5	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-51.2	178.5	-56.8	0	0	0	0	110.1	N340 W341 K342 I346 T347 I348 F426	N340-C344 PolarHBondContact O-N 3.04Å; W341-C344 WeakPolarHBondContact O-CB 3.3Å; W341-C344 PolarHBondContact O-N 3.38Å; W341-C344 VanDerWaalsContact O-N 3.11Å; K342-C344 VanDerWaalsContact C-N 3.33Å; C344-I346 PolarHBondContact O-N 2.59Å; C344-T347 PolarHBondContact O-N 3.22Å; C344-I348 WeakPolarHBondContact O-CG1 3.17Å; C344-I348 PolarHBondContact O-N 3.34Å; C344-F426 HydrophobicContact CB-CE1 3.75Å; C344-F426 HydrophobicContact CB-CZ 4.14Å
345	L	91.3	Very high	87.4	Confident	77 Å²	77	72.3 Å²	72.3	40%	0.403	34%	0.335	S	S	.	.	H	α-helix	trans	-57.1	-50.3	177.7	179.4	64.7	0	0	0	111.7	W341 T347 I348 L349	W341-L345 HydrophobicContact CE3-CB 4.24Å; W341-L345 HydrophobicContact CE3-CD2 4.43Å; W341-L345 HydrophobicContact CH2-CD2 4.18Å; W341-L345 HydrophobicContact CZ3-CB 4.18Å; W341-L345 HydrophobicContact CZ3-CD2 3.55Å; W341-L345 HydrophobicContact CZ3-CG 4.43Å; W341-L345 PolarHBondContact O-N 3.12Å; L345-T347 VanDerWaalsContact C-N 3.25Å; L345-T347 PolarHBondContact O-N 3.3Å; L345-I348 PolarHBondContact O-N 3.44Å; L345-L349 HydrophobicContact CD1-CD1 4.09Å; L345-L349 HydrophobicContact CD1-CG 4.11Å; L345-L349 HydrophobicContact CD2-CD1 4.33Å; L345-L349 HydrophobicContact CG-CD1 3.84Å; L345-L349 HydrophobicContact CG-CG 4.28Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 2.9Å
346	I	90.7	Very high	88.4	Confident	18 Å²	18	65.7 Å²	65.7	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-34.9	-179.3	-68	169.3	0	0	0	111.3	K342 C344 N350 L669 W672 F673	K342-I346 WeakPolarHBondContact O-CB 3.46Å; K342-I346 WeakPolarHBondContact O-CD1 3.31Å; K342-I346 WeakPolarHBondContact O-CG1 3.25Å; K342-I346 PolarHBondContact O-N 3.21Å; C344-I346 PolarHBondContact O-N 2.59Å; I346-N350 WeakPolarHBondContact O-CB 3.2Å; I346-N350 PolarHBondContact O-N 3Å; I346-L669 HydrophobicContact CG2-CD2 4.32Å; I346-W672 HydrophobicContact CD1-CB 4.29Å; I346-W672 HydrophobicContact CD1-CD2 3.54Å; I346-W672 HydrophobicContact CD1-CE3 3.37Å; I346-W672 HydrophobicContact CD1-CG 3.97Å; I346-W672 HydrophobicContact CD1-CH2 4.43Å; I346-W672 HydrophobicContact CD1-CZ3 3.86Å; I346-W672 HydrophobicContact CG2-CB 4.37Å; I346-F673 HydrophobicContact CG2-CE2 4.47Å; I346-F673 HydrophobicContact CG2-CZ 4.13Å
347	T	90.8	Very high	89.2	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-41.3	177.6	-61.3	0	0	0	0	112	M326 F343 C344 L345 N350 R351 F426	M326-T347 HydrophobicContact SD-CG2 3.89Å; F343-T347 WeakPolarHBondContact O-CB 3.4Å; F343-T347 PolarHBondContact O-N 2.93Å; F343-T347 PolarHBondContact O-OG1 3.27Å; C344-T347 PolarHBondContact O-N 3.22Å; L345-T347 VanDerWaalsContact C-N 3.25Å; L345-T347 PolarHBondContact O-N 3.3Å; T347-N350 PolarHBondContact O-N 3.32Å; T347-R351 PolarHBondContact O-N 3.33Å; T347-F426 HydrophobicContact CG2-CE2 3.67Å; T347-F426 HydrophobicContact CG2-CZ 4.22Å
348	I	93.3	Very high	90.3	Very high	47 Å²	47	57.1 Å²	57.1	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-49	175.4	-65.9	168.9	0	0	0	109.9	C344 L345 N350 R351 Y352 F419 F422 F426	C344-I348 WeakPolarHBondContact O-CG1 3.17Å; C344-I348 PolarHBondContact O-N 3.34Å; L345-I348 PolarHBondContact O-N 3.44Å; I348-N350 VanDerWaalsContact C-N 3.31Å; I348-N350 PolarHBondContact O-N 2.91Å; I348-R351 PolarHBondContact O-N 3.46Å; I348-R351 VanDerWaalsContact O-N 3.1Å; I348-Y352 PolarHBondContact O-N 3.28Å; I348-F419 HydrophobicContact CG2-CZ 4.29Å; I348-F422 HydrophobicContact CB-CE1 4.41Å; I348-F422 HydrophobicContact CG1-CE1 4.06Å; I348-F422 HydrophobicContact CG1-CZ 4.28Å; I348-F422 HydrophobicContact CG2-CE1 4.47Å; I348-F426 HydrophobicContact CG1-CD2 4.43Å; I348-F426 HydrophobicContact CG1-CE2 4.43Å
349	L	92.9	Very high	91.3	Very high	74 Å²	74	52.6 Å²	52.6	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-40.2	176.4	-70.8	176.1	0	0	0	112.3	L345 R351 Y352 L353	L345-L349 HydrophobicContact CD1-CD1 4.09Å; L345-L349 HydrophobicContact CD1-CG 4.11Å; L345-L349 HydrophobicContact CD2-CD1 4.33Å; L345-L349 HydrophobicContact CG-CD1 3.84Å; L345-L349 HydrophobicContact CG-CG 4.28Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 2.9Å; L349-R351 VanDerWaalsContact C-N 3.3Å; L349-R351 PolarHBondContact O-N 2.89Å; L349-Y352 PolarHBondContact O-N 3.35Å; L349-L353 WeakPolarHBondContact O-CB 3.47Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 3.38Å
350	N	91.9	Very high	92.1	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.171	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-35.4	177.2	177.4	54.9	0	0	0	112.9	I346 T347 I348 R354 R665 L669 F673	I346-N350 WeakPolarHBondContact O-CB 3.2Å; I346-N350 PolarHBondContact O-N 3Å; T347-N350 PolarHBondContact O-N 3.32Å; I348-N350 VanDerWaalsContact C-N 3.31Å; I348-N350 PolarHBondContact O-N 2.91Å; N350-R354 WeakPolarHBondContact O-CB 3.32Å; N350-R354 PolarHBondContact O-N 3.34Å; N350-R665 PolarHBondContact O-NH1 3.25Å; N350-R665 PolarHBondContact OD1-NH1 3.27Å; N350-L669 HydrophobicContact CB-CD1 3.7Å; N350-L669 VanDerWaalsContact OD1-CD1 3.24Å; N350-L669 WeakPolarHBondContact OD1-CD1 3.14Å; N350-F673 HydrophobicContact CB-CE2 4.28Å; N350-F673 HydrophobicContact CB-CZ 4.17Å
351	R	92.7	Very high	92.6	Very high	35 Å²	35	48.5 Å²	48.5	13%	0.132	23%	0.232	C	C	.	.	H	α-helix	trans	-73.8	-46.4	175.1	-170.8	-177.9	-177.5	133.7	-1.4	110.5	S318 T347 I348 L349 R354 D418 F419 F422	S318-R351 PolarHBondContact OG-NH2 3.02Å; T347-R351 PolarHBondContact O-N 3.33Å; I348-R351 PolarHBondContact O-N 3.46Å; I348-R351 VanDerWaalsContact O-N 3.1Å; L349-R351 VanDerWaalsContact C-N 3.3Å; L349-R351 PolarHBondContact O-N 2.89Å; R351-R354 WeakPolarHBondContact O-CB 3.32Å; R351-R354 PolarHBondContact O-N 3.4Å; R351-R354 VanDerWaalsContact O-N 3.11Å; R351-D418 IonicContact CZ-OD2 3.65Å; R351-D418 VanDerWaalsContact NH2-CG 3.34Å; R351-D418 IonicContact NH2-OD1 2.79Å; R351-D418 PolarHBondContact NH2-OD1 3.01Å; R351-D418 IonicContact NH2-OD2 3.89Å; R351-D418 PolarHBondContact NH2-OD2 3.03Å; R351-F419 HydrophobicContact CG-CD2 4.46Å; R351-F419 HydrophobicContact CG-CE2 4.5Å; R351-F422 HydrophobicContact CB-CE1 4.04Å; R351-F422 HydrophobicContact CB-CZ 4.06Å; R351-F422 VanDerWaalsContact CD-CE1 3.43Å; R351-F422 HydrophobicContact CG-CE1 4.34Å; R351-F422 HydrophobicContact CG-CZ 4.49Å; R351-F422 VanDerWaalsContact CZ-CB 3.44Å
352	Y	94.8	Very high	93	Very high	53 Å²	53	40.1 Å²	40.1	21%	0.208	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-53.8	178	-178.1	-110.2	0	0	0	111.7	I348 L349 R354 L355 L356 L396 Y398 F419	I348-Y352 PolarHBondContact O-N 3.28Å; L349-Y352 PolarHBondContact O-N 3.35Å; Y352-R354 PolarHBondContact O-N 2.88Å; Y352-R354 VanDerWaalsContact O-N 3.14Å; Y352-L355 PolarHBondContact O-N 3.32Å; Y352-L356 HydrophobicContact CD1-CD2 4.29Å; Y352-L356 HydrophobicContact CE1-CD2 3.52Å; Y352-L356 HydrophobicContact CE2-CD1 4.41Å; Y352-L356 WeakPolarHBondContact O-CB 3.5Å; Y352-L356 PolarHBondContact O-N 2.92Å; Y352-L356 VanDerWaalsContact O-N 3.16Å; Y352-L396 WeakPolarHBondContact CE2-O 3.4Å; Y352-L396 PolarHBondContact OH-O 3.36Å; Y352-Y398 AromaticContact CD2-CD2 3.87Å; Y352-Y398 HydrophobicContact CD2-CD2 3.87Å; Y352-Y398 AromaticContact CD2-CE2 3.69Å; Y352-Y398 HydrophobicContact CD2-CE2 3.69Å; Y352-Y398 AromaticContact CE2-CD2 3.83Å; Y352-Y398 HydrophobicContact CE2-CD2 3.83Å; Y352-Y398 AromaticContact CE2-CE2 3.79Å; Y352-Y398 HydrophobicContact CE2-CE2 3.79Å; Y352-F419 HydrophobicContact CD2-CE1 4.43Å; Y352-F419 HydrophobicContact CD2-CE2 4.23Å; Y352-F419 AromaticContact CD2-CZ 3.94Å; Y352-F419 HydrophobicContact CD2-CZ 3.94Å; Y352-F419 HydrophobicContact CG-CZ 4.41Å
353	L	93.3	Very high	93.3	Very high	77 Å²	77	34.9 Å²	34.9	40%	0.403	18%	0.178	S	C	.	.	H	α-helix	trans	-69.5	-9.6	178.9	-64.4	174.7	0	0	0	114.1	L349 P357	L349-L353 WeakPolarHBondContact O-CB 3.47Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 3.38Å; L353-P357 WeakPolarHBondContact O-CD 3.45Å
354	R	91.5	Very high	93.6	Very high	127 Å²	127	36.3 Å²	36.3	48%	0.479	19%	0.19	S	C	.	.	H	α-helix	trans	-70.1	-44.7	175.7	-172.9	176.5	168.9	108.4	9.6	111.6	N350 R351 Y352 R665	N350-R354 WeakPolarHBondContact O-CB 3.32Å; N350-R354 PolarHBondContact O-N 3.34Å; R351-R354 WeakPolarHBondContact O-CB 3.32Å; R351-R354 PolarHBondContact O-N 3.4Å; R351-R354 VanDerWaalsContact O-N 3.11Å; Y352-R354 PolarHBondContact O-N 2.88Å; Y352-R354 VanDerWaalsContact O-N 3.14Å; R354-R665 VanDerWaalsContact CG-NH1 3.29Å
355	L	92.4	Very high	93.8	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.12	18%	0.183	C	C	.	.	H	α-helix	trans	-101.7	-35.3	-166.5	-62.9	-179	0	0	0	110.6	Y352 Y359 Y398 Y600	Y352-L355 PolarHBondContact O-N 3.32Å; L355-Y359 PolarHBondContact O-N 3.1Å; L355-Y398 WeakPolarHBondContact CB-OH 3.43Å; L355-Y600 HydrophobicContact CB-CE1 4.31Å; L355-Y600 WeakPolarHBondContact CB-OH 3.35Å; L355-Y600 HydrophobicContact CD2-CD1 4.14Å; L355-Y600 HydrophobicContact CD2-CD2 4.13Å; L355-Y600 HydrophobicContact CD2-CE1 3.82Å; L355-Y600 HydrophobicContact CD2-CE2 3.86Å; L355-Y600 HydrophobicContact CD2-CG 4.28Å; L355-Y600 PolarHBondContact O-OH 2.94Å
356	L	95.6	Very high	93.7	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-53	-46.9	-173.8	-177.9	72.3	0	0	0	115.4	Y352 V358 Y359 A360 L396	Y352-L356 HydrophobicContact CD1-CD2 4.29Å; Y352-L356 HydrophobicContact CE1-CD2 3.52Å; Y352-L356 HydrophobicContact CE2-CD1 4.41Å; Y352-L356 WeakPolarHBondContact O-CB 3.5Å; Y352-L356 PolarHBondContact O-N 2.92Å; Y352-L356 VanDerWaalsContact O-N 3.16Å; L356-V358 PolarHBondContact O-N 2.79Å; L356-Y359 PolarHBondContact O-N 3.06Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 3.42Å; L356-L396 HydrophobicContact CD1-CB 4.08Å; L356-L396 HydrophobicContact CD1-CD2 4.17Å; L356-L396 WeakPolarHBondContact CD1-O 3.34Å
357	P	95.5	Very high	93.7	Very high	44 Å²	44	33.1 Å²	33.1	29%	0.286	17%	0.172	S	C	.	.	H	α-helix	trans	-62.3	-43.7	-170.9	-26.2	37.1	0	0	0	113.4	L353 F361 V657	L353-P357 WeakPolarHBondContact O-CD 3.45Å; P357-F361 WeakPolarHBondContact O-CB 3.43Å; P357-F361 PolarHBondContact O-N 2.89Å; P357-F361 VanDerWaalsContact O-N 3.11Å; P357-V657 HydrophobicContact CB-CG1 4.13Å
358	V	95.9	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-40.5	177.1	-168.5	0	0	0	0	109.9	L356 A360 F361 S362 Y600 L604 V657 E658	L356-V358 PolarHBondContact O-N 2.79Å; V358-A360 PolarHBondContact O-N 2.89Å; V358-F361 PolarHBondContact O-N 3.31Å; V358-S362 PolarHBondContact O-N 3.48Å; V358-S362 PolarHBondContact O-OG 2.82Å; V358-S362 VanDerWaalsContact O-OG 3.08Å; V358-Y600 HydrophobicContact CB-CE1 4.03Å; V358-Y600 HydrophobicContact CG2-CE1 4.42Å; V358-L604 HydrophobicContact CB-CD1 4.05Å; V358-L604 HydrophobicContact CG1-CD1 3.64Å; V358-V657 HydrophobicContact CB-CG1 4.46Å; V358-V657 HydrophobicContact CG2-CB 4.43Å; V358-V657 HydrophobicContact CG2-CG1 4.05Å; V358-E658 VanDerWaalsContact CG2-CA 3.4Å; V358-E658 HydrophobicContact CG2-CB 3.43Å; V358-E658 VanDerWaalsContact CG2-CB 3.43Å; V358-E658 HydrophobicContact CG2-CG 3.72Å
359	Y	96.6	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-47.1	178.2	-170.4	-164.4	0	0	0	112.3	L355 L356 F361 S362 V363 N395 Y398 M409 T412 L604	L355-Y359 PolarHBondContact O-N 3.1Å; L356-Y359 PolarHBondContact O-N 3.06Å; Y359-F361 VanDerWaalsContact C-N 3.3Å; Y359-F361 PolarHBondContact O-N 3.36Å; Y359-S362 PolarHBondContact O-N 3.25Å; Y359-V363 HydrophobicContact CD2-CG2 4.11Å; Y359-V363 HydrophobicContact CE2-CG2 3.98Å; Y359-V363 WeakPolarHBondContact O-CG2 3.31Å; Y359-V363 PolarHBondContact O-N 2.95Å; Y359-N395 HydrophobicContact CE1-CB 4.13Å; Y359-N395 WeakPolarHBondContact CE1-O 3.43Å; Y359-N395 HydrophobicContact CE2-CB 4.23Å; Y359-N395 WeakPolarHBondContact OH-CB 2.89Å; Y359-N395 PolarHBondContact OH-OD1 2.83Å; Y359-Y398 AromaticContact CD1-CE1 3.71Å; Y359-Y398 HydrophobicContact CD1-CE1 3.71Å; Y359-Y398 HydrophobicContact CE1-CD1 4.13Å; Y359-Y398 AromaticContact CE1-CE1 3.67Å; Y359-Y398 HydrophobicContact CE1-CE1 3.67Å; Y359-M409 HydrophobicContact CE2-SD 4.21Å; Y359-T412 HydrophobicContact CE2-CG2 3.9Å; Y359-T412 WeakPolarHBondContact OH-CB 3.34Å; Y359-T412 PolarHBondContact OH-OG1 3.19Å; Y359-L604 HydrophobicContact CD2-CD2 3.64Å; Y359-L604 HydrophobicContact CE2-CD2 4.18Å; Y359-L604 HydrophobicContact CG-CD2 4.25Å
360	A	95.8	Very high	93.3	Very high	35 Å²	35	31 Å²	31	29%	0.289	16%	0.163	S	C	.	.	H	α-helix	trans	-60.8	-40.9	176.8	0	0	0	0	0	111.7	L356 V358 V363 A364 L396	L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 3.42Å; V358-A360 PolarHBondContact O-N 2.89Å; A360-V363 PolarHBondContact O-N 3.42Å; A360-A364 PolarHBondContact O-N 3.42Å; A360-L396 HydrophobicContact CB-CD2 3.73Å
361	F	96.2	Very high	93	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.066	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-39.9	175	-173	-105.2	0	0	0	112.3	L203 I204 L207 P357 V358 Y359 A364 L365 L653 V657	L203-F361 HydrophobicContact CD2-CD2 3.78Å; L203-F361 HydrophobicContact CD2-CE2 3.78Å; L203-F361 HydrophobicContact CG-CD2 4.43Å; L203-F361 HydrophobicContact CG-CE2 4.04Å; I204-F361 HydrophobicContact CG1-CE2 4.38Å; I204-F361 HydrophobicContact CG1-CZ 3.89Å; L207-F361 HydrophobicContact CD1-CD2 4.2Å; L207-F361 HydrophobicContact CD1-CE2 3.72Å; L207-F361 HydrophobicContact CD1-CZ 4.17Å; P357-F361 WeakPolarHBondContact O-CB 3.43Å; P357-F361 PolarHBondContact O-N 2.89Å; P357-F361 VanDerWaalsContact O-N 3.11Å; V358-F361 PolarHBondContact O-N 3.31Å; Y359-F361 VanDerWaalsContact C-N 3.3Å; Y359-F361 PolarHBondContact O-N 3.36Å; F361-A364 WeakPolarHBondContact O-CB 3.44Å; F361-A364 PolarHBondContact O-N 3.08Å; F361-L365 HydrophobicContact CD1-CD1 3.87Å; F361-L365 HydrophobicContact CD1-CG 4.21Å; F361-L365 HydrophobicContact CE1-CD1 3.57Å; F361-L365 HydrophobicContact CE1-CD2 4.22Å; F361-L365 HydrophobicContact CE1-CG 3.91Å; F361-L365 HydrophobicContact CZ-CD1 4.32Å; F361-L365 HydrophobicContact CZ-CD2 4.16Å; F361-L365 HydrophobicContact CZ-CG 4.23Å; F361-L365 WeakPolarHBondContact O-CG 3.38Å; F361-L365 PolarHBondContact O-N 3.28Å; F361-L653 HydrophobicContact CD1-CD2 3.57Å; F361-L653 HydrophobicContact CE1-CD2 3.63Å; F361-V657 HydrophobicContact CB-CG1 4.38Å; F361-V657 HydrophobicContact CB-CG2 4.16Å; F361-V657 HydrophobicContact CD1-CG2 3.78Å; F361-V657 HydrophobicContact CD2-CG2 4.2Å; F361-V657 HydrophobicContact CE1-CG2 4.17Å; F361-V657 HydrophobicContact CG-CG2 3.78Å
362	S	95.5	Very high	92.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-39.2	174.3	-62.4	0	0	0	0	112.6	V358 Y359 L365 L366	V358-S362 PolarHBondContact O-N 3.48Å; V358-S362 PolarHBondContact O-OG 2.82Å; V358-S362 VanDerWaalsContact O-OG 3.08Å; Y359-S362 PolarHBondContact O-N 3.25Å; S362-L365 PolarHBondContact O-N 3.36Å; S362-L366 WeakPolarHBondContact O-CB 3.37Å; S362-L366 PolarHBondContact O-N 3.38Å
363	V	94.2	Very high	92.3	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-45	171.8	173.5	0	0	0	0	110.3	Y359 A360 L365 L366 V367 W392 N395 M409	Y359-V363 HydrophobicContact CD2-CG2 4.11Å; Y359-V363 HydrophobicContact CE2-CG2 3.98Å; Y359-V363 WeakPolarHBondContact O-CG2 3.31Å; Y359-V363 PolarHBondContact O-N 2.95Å; A360-V363 PolarHBondContact O-N 3.42Å; V363-L365 PolarHBondContact O-N 2.97Å; V363-L366 PolarHBondContact O-N 2.99Å; V363-V367 HydrophobicContact CG1-CG2 4.15Å; V363-V367 WeakPolarHBondContact O-CB 3.31Å; V363-V367 WeakPolarHBondContact O-CG2 3.34Å; V363-V367 PolarHBondContact O-N 2.92Å; V363-W392 HydrophobicContact CG1-CB 4.19Å; V363-N395 HydrophobicContact CG2-CB 4.26Å; V363-M409 HydrophobicContact CB-SD 4.4Å; V363-M409 HydrophobicContact CG2-SD 3.6Å
364	A	94.1	Very high	91.9	Very high	31 Å²	31	29.2 Å²	29.2	26%	0.256	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-42.1	178.1	0	0	0	0	0	112.4	V200 A360 F361 G368	V200-A364 HydrophobicContact CG2-CB 4.49Å; V200-A364 WeakPolarHBondContact CG2-O 3.42Å; A360-A364 PolarHBondContact O-N 3.42Å; F361-A364 WeakPolarHBondContact O-CB 3.44Å; F361-A364 PolarHBondContact O-N 3.08Å; A364-G368 VanDerWaalsContact O-CA 3.3Å; A364-G368 WeakPolarHBondContact O-CA 3.22Å; A364-G368 PolarHBondContact O-N 3.18Å
365	L	93.8	Very high	91.2	Very high	16 Å²	16	28 Å²	28	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-46.1	174.2	-72.5	174	0	0	0	111.7	V200 I204 F361 S362 V363 M369 L370 L653	V200-L365 HydrophobicContact CG1-CD2 3.81Å; I204-L365 HydrophobicContact CD1-CD2 4Å; F361-L365 HydrophobicContact CD1-CD1 3.87Å; F361-L365 HydrophobicContact CD1-CG 4.21Å; F361-L365 HydrophobicContact CE1-CD1 3.57Å; F361-L365 HydrophobicContact CE1-CD2 4.22Å; F361-L365 HydrophobicContact CE1-CG 3.91Å; F361-L365 HydrophobicContact CZ-CD1 4.32Å; F361-L365 HydrophobicContact CZ-CD2 4.16Å; F361-L365 HydrophobicContact CZ-CG 4.23Å; F361-L365 WeakPolarHBondContact O-CG 3.38Å; F361-L365 PolarHBondContact O-N 3.28Å; S362-L365 PolarHBondContact O-N 3.36Å; V363-L365 PolarHBondContact O-N 2.97Å; L365-M369 HydrophobicContact CD2-CE 3.99Å; L365-M369 PolarHBondContact O-N 3.46Å; L365-M369 VanDerWaalsContact O-N 3.12Å; L365-L370 HydrophobicContact CB-CD1 3.9Å; L365-L370 HydrophobicContact CB-CG 4.46Å; L365-L370 WeakPolarHBondContact O-CG 3.38Å; L365-L370 PolarHBondContact O-N 3.32Å; L365-L653 HydrophobicContact CD1-CD2 3.78Å
366	L	90.8	Very high	90.7	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-73	-37.3	-175.3	-175.6	66.1	0	0	0	113.1	S362 V363 P371 P384 M409 W411 V608	S362-L366 WeakPolarHBondContact O-CB 3.37Å; S362-L366 PolarHBondContact O-N 3.38Å; V363-L366 PolarHBondContact O-N 2.99Å; L366-P371 WeakPolarHBondContact O-CD 3.33Å; L366-P371 WeakPolarHBondContact O-CG 3.21Å; L366-P384 HydrophobicContact CD1-CB 3.91Å; L366-P384 HydrophobicContact CD1-CG 3.69Å; L366-P384 HydrophobicContact CD2-CB 3.97Å; L366-P384 HydrophobicContact CD2-CG 4.33Å; L366-P384 HydrophobicContact CG-CB 3.67Å; L366-P384 HydrophobicContact CG-CG 4.03Å; L366-M409 HydrophobicContact CD2-CE 4.25Å; L366-M409 HydrophobicContact CD2-CG 3.25Å; L366-M409 HydrophobicContact CD2-SD 3.93Å; L366-W411 HydrophobicContact CD2-CH2 3.92Å; L366-W411 HydrophobicContact CD2-CZ2 3.98Å; L366-V608 HydrophobicContact CD1-CG2 3.84Å
367	V	90	Very high	89.9	Confident	36 Å²	36	26.9 Å²	26.9	22%	0.218	16%	0.155	C	C	.	.	H	α-helix	trans	-88.4	-33.8	-178.6	-179.5	0	0	0	0	111	V363 L385 C388	V363-V367 HydrophobicContact CG1-CG2 4.15Å; V363-V367 WeakPolarHBondContact O-CB 3.31Å; V363-V367 WeakPolarHBondContact O-CG2 3.34Å; V363-V367 PolarHBondContact O-N 2.92Å; V367-L385 WeakPolarHBondContact O-CD2 3.33Å; V367-C388 HydrophobicContact CG1-CB 4.44Å; V367-C388 HydrophobicContact CG2-CB 3.39Å
368	G	88.8	Confident	89.1	Confident	8 Å²	8	26.7 Å²	26.7	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-98.4	-18.5	-169.5	0	0	0	0	0	115.6	S196 V197 A364	S196-G368 CarbonylContact C-O 3.49Å; S196-G368 WeakPolarHBondContact CB-O 3.29Å; S196-G368 PolarHBondContact OG-O 3.31Å; V197-G368 VanDerWaalsContact CA-O 3.27Å; V197-G368 WeakPolarHBondContact CA-O 3.48Å; V197-G368 WeakPolarHBondContact CG2-O 3.33Å; V197-G368 PolarHBondContact N-O 3.33Å; V197-G368 VanDerWaalsContact N-O 3.08Å; A364-G368 VanDerWaalsContact O-CA 3.3Å; A364-G368 WeakPolarHBondContact O-CA 3.22Å; A364-G368 PolarHBondContact O-N 3.18Å
369	M	90.9	Very high	88.2	Confident	24 Å²	24	26.9 Å²	26.9	12%	0.118	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-59.7	-171	-167.9	179.3	89.1	0	0	114.3	V197 V200 I204 L365 H372 F373	V197-M369 HydrophobicContact CG1-CG 4.3Å; V200-M369 HydrophobicContact CB-CB 4.2Å; V200-M369 HydrophobicContact CG1-CB 3.92Å; V200-M369 HydrophobicContact CG1-SD 3.99Å; I204-M369 HydrophobicContact CD1-CE 4.29Å; I204-M369 HydrophobicContact CD1-SD 3.9Å; L365-M369 HydrophobicContact CD2-CE 3.99Å; L365-M369 PolarHBondContact O-N 3.46Å; L365-M369 VanDerWaalsContact O-N 3.12Å; M369-H372 WeakPolarHBondContact O-CB 3.29Å; M369-H372 PolarHBondContact O-N 2.91Å; M369-F373 HydrophobicContact CE-CE2 3.96Å; M369-F373 HydrophobicContact CE-CZ 4.34Å; M369-F373 HydrophobicContact CG-CE2 4.12Å; M369-F373 HydrophobicContact CG-CZ 3.88Å; M369-F373 HydrophobicContact SD-CZ 4.34Å
370	L	89.5	Confident	87	Confident	46 Å²	46	28.6 Å²	28.6	24%	0.241	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-65.3	-41.8	-162.5	-65.4	164	0	0	0	115.4	L365 H372 F373 I605 V608	L365-L370 HydrophobicContact CB-CD1 3.9Å; L365-L370 HydrophobicContact CB-CG 4.46Å; L365-L370 WeakPolarHBondContact O-CG 3.38Å; L365-L370 PolarHBondContact O-N 3.32Å; L370-H372 PolarHBondContact O-N 3.3Å; L370-F373 HydrophobicContact CD2-CD2 4.49Å; L370-F373 PolarHBondContact O-N 2.88Å; L370-F373 VanDerWaalsContact O-N 3.15Å; L370-I605 HydrophobicContact CD1-CD1 4.36Å; L370-V608 HydrophobicContact CD1-CG1 3.56Å; L370-V608 HydrophobicContact CG-CG1 4.48Å
371	P	85.6	Confident	85.8	Confident	20 Å²	20	29.4 Å²	29.4	13%	0.13	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.2	-26.1	-179.5	-22.7	34.5	0	0	0	112.8	L366 F373 S374 P384 L385	L366-P371 WeakPolarHBondContact O-CD 3.33Å; L366-P371 WeakPolarHBondContact O-CG 3.21Å; P371-F373 PolarHBondContact O-N 2.99Å; P371-S374 PolarHBondContact O-N 3.06Å; P371-P384 HydrophobicContact CG-CB 4.11Å; P371-P384 HydrophobicContact CG-CG 4.14Å; P371-L385 HydrophobicContact CB-CD1 4Å; P371-L385 HydrophobicContact CB-CD2 4.06Å; P371-L385 HydrophobicContact CB-CG 3.74Å; P371-L385 HydrophobicContact CG-CD2 4Å; P371-L385 HydrophobicContact CG-CG 4.08Å
372	H	87.3	Confident	84.9	Confident	14 Å²	14	30.1 Å²	30.1	7%	0.065	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-70.8	-17.8	179.8	-59.6	-62.5	0	0	0	112.7	W191 Y194 S196 V197 M369 L370 S374	W191-H372 HydrophobicContact CB-CB 3.97Å; W191-H372 VanDerWaalsContact CB-O 3.3Å; W191-H372 WeakPolarHBondContact CB-O 2.95Å; Y194-H372 AromaticContact CD1-CE1 3.61Å; Y194-H372 AromaticContact CD1-ND1 3.94Å; Y194-H372 HydrophobicContact CD2-CB 4.18Å; Y194-H372 AromaticContact CD2-CE1 3.9Å; Y194-H372 AromaticContact CD2-CG 3.79Å; Y194-H372 AromaticContact CD2-ND1 3.42Å; Y194-H372 WeakPolarHBondContact CD2-ND1 3.4Å; Y194-H372 AromaticContact CE1-CE1 3.83Å; Y194-H372 AromaticContact CE1-ND1 3.97Å; Y194-H372 HydrophobicContact CE2-CB 4.46Å; Y194-H372 AromaticContact CE2-ND1 3.44Å; Y194-H372 WeakPolarHBondContact CE2-ND1 3.29Å; Y194-H372 AromaticContact CG-CE1 3.64Å; Y194-H372 AromaticContact CG-ND1 3.66Å; Y194-H372 AromaticContact CZ-ND1 3.72Å; S196-H372 PolarHBondContact OG-NE2 3.49Å; V197-H372 HydrophobicContact CG2-CB 4.1Å; M369-H372 WeakPolarHBondContact O-CB 3.29Å; M369-H372 PolarHBondContact O-N 2.91Å; L370-H372 PolarHBondContact O-N 3.3Å; H372-S374 VanDerWaalsContact C-N 3.31Å
373	F	86.1	Confident	84.2	Confident	105 Å²	105	30.5 Å²	30.5	46%	0.461	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-78.9	-12.5	175.3	-63.9	-26.7	0	0	0	114	W191 M369 L370 P371	W191-F373 HydrophobicContact CB-CD1 3.93Å; W191-F373 HydrophobicContact CB-CE1 4.27Å; W191-F373 HydrophobicContact CD2-CD1 4.15Å; W191-F373 AromaticContact CD2-CE1 3.83Å; W191-F373 HydrophobicContact CD2-CE1 3.83Å; W191-F373 AromaticContact CE3-CE1 3.84Å; W191-F373 HydrophobicContact CE3-CE1 3.84Å; W191-F373 AromaticContact CG-CD1 3.88Å; W191-F373 HydrophobicContact CG-CD1 3.88Å; W191-F373 HydrophobicContact CG-CE1 4.05Å; W191-F373 HydrophobicContact CZ3-CE1 4.47Å; M369-F373 HydrophobicContact CE-CE2 3.96Å; M369-F373 HydrophobicContact CE-CZ 4.34Å; M369-F373 HydrophobicContact CG-CE2 4.12Å; M369-F373 HydrophobicContact CG-CZ 3.88Å; M369-F373 HydrophobicContact SD-CZ 4.34Å; L370-F373 HydrophobicContact CD2-CD2 4.49Å; L370-F373 PolarHBondContact O-N 2.88Å; L370-F373 VanDerWaalsContact O-N 3.15Å; P371-F373 PolarHBondContact O-N 2.99Å
374	S	83.1	Confident	83.7	Confident	22 Å²	22	31 Å²	31	15%	0.154	18%	0.177	C	C	.	.	S	Bend	trans	-77	143.6	173.5	-175	0	0	0	0	110.5	Q187 P371 H372 F376 E615	Q187-S374 WeakPolarHBondContact CG-O 3.4Å; P371-S374 PolarHBondContact O-N 3.06Å; H372-S374 VanDerWaalsContact C-N 3.31Å; S374-F376 PolarHBondContact O-N 2.91Å; S374-F376 PolarHBondContact OG-O 3.36Å; S374-E615 VanDerWaalsContact OG-CD 3.23Å; S374-E615 PolarHBondContact OG-OE1 2.73Å; S374-E615 PolarHBondContact OG-OE2 2.83Å
375	D	77.6	Confident	83.2	Confident	101 Å²	101	31.7 Å²	31.7	54%	0.54	18%	0.176	S	C	.	.	S	Bend	trans	-64.5	-25.4	-178.6	-62.8	-47.7	0	0	0	112.9	Q187 K619	Q187-D375 PolarHBondContact N-O 3.49Å; D375-K619 IonicContact OD2-NZ 3.44Å; D375-K619 PolarHBondContact OD2-NZ 2.88Å
376	F	81	Confident	82.7	Confident	16 Å²	16	35.9 Å²	35.9	7%	0.07	19%	0.191	C	C	.	.	S	Bend	trans	-147.4	154.4	-177.9	43	-107.6	0	0	0	110.6	L106 K109 Q187 S374 K619	L106-F376 HydrophobicContact CD1-CE2 3.5Å; L106-F376 VanDerWaalsContact CD1-CE2 3.5Å; L106-F376 HydrophobicContact CD1-CZ 3.42Å; L106-F376 VanDerWaalsContact CD1-CZ 3.42Å; K109-F376 HydrophobicContact CB-CD1 4.07Å; K109-F376 HydrophobicContact CB-CD2 4.4Å; K109-F376 HydrophobicContact CB-CE1 4.03Å; K109-F376 HydrophobicContact CB-CE2 4.36Å; K109-F376 HydrophobicContact CB-CG 4.24Å; K109-F376 HydrophobicContact CB-CZ 4.17Å; K109-F376 HydrophobicContact CD-CB 4.18Å; K109-F376 HydrophobicContact CD-CD2 3.61Å; K109-F376 HydrophobicContact CD-CE2 4.06Å; K109-F376 HydrophobicContact CD-CG 3.87Å; Q187-F376 VanDerWaalsContact NE2-C 3.35Å; S374-F376 PolarHBondContact O-N 2.91Å; S374-F376 PolarHBondContact OG-O 3.36Å; F376-K619 VanDerWaalsContact CE1-NZ 3.34Å
377	P	79.2	Confident	82.3	Confident	13 Å²	13	36.3 Å²	36.3	8%	0.084	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-61.8	142.7	176.9	24.5	-34.5	0	0	0	111.1	K109 P184	K109-P377 PolarHBondContact NZ-O 3.33Å; P184-P377 HydrophobicContact CG-CG 3.84Å; P184-P377 VanDerWaalsContact O-CD 3.25Å; P184-P377 WeakPolarHBondContact O-CD 3.45Å; P184-P377 VanDerWaalsContact O-CG 3.31Å; P184-P377 WeakPolarHBondContact O-CG 3.06Å
378	A	79.6	Confident	82.2	Confident	41 Å²	41	34.6 Å²	34.6	34%	0.339	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-66.3	167.1	171.3	0	0	0	0	0	110.8	V382 D383	A378-V382 HydrophobicContact CB-CG2 4.08Å; A378-D383 HydrophobicContact CB-CB 4.23Å
379	W	76.4	Confident	82	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.015	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-57.8	143.2	174.5	-170.5	-120.7	0	0	0	111.3	W101 M102 D105 Y125 T127 V381 V382 D383	W101-W379 HydrophobicContact CB-CZ2 4.31Å; M102-W379 HydrophobicContact CB-CB 4.48Å; M102-W379 HydrophobicContact CG-CB 3.66Å; M102-W379 VanDerWaalsContact CG-CD1 3.47Å; M102-W379 HydrophobicContact CG-CG 3.7Å; D105-W379 HydrophobicContact CB-CD2 4.44Å; D105-W379 HydrophobicContact CB-CE3 3.75Å; D105-W379 HydrophobicContact CB-CZ3 4.12Å; D105-W379 VanDerWaalsContact CG-CE3 3.48Å; Y125-W379 HydrophobicContact CD1-CE3 4.42Å; Y125-W379 AromaticContact CD1-CH2 3.69Å; Y125-W379 HydrophobicContact CD1-CH2 3.69Å; Y125-W379 AromaticContact CD1-CZ3 3.54Å; Y125-W379 HydrophobicContact CD1-CZ3 3.54Å; Y125-W379 AromaticContact CE1-CH2 3.97Å; Y125-W379 HydrophobicContact CE1-CH2 3.97Å; Y125-W379 HydrophobicContact CE1-CZ3 4.23Å; T127-W379 HydrophobicContact CG2-CH2 3.59Å; T127-W379 HydrophobicContact CG2-CZ2 3.85Å; W379-V381 PolarHBondContact O-N 3.47Å; W379-V382 HydrophobicContact CB-CG2 4.18Å; W379-V382 CarbonylContact O-C 3.6Å; W379-V382 WeakPolarHBondContact O-CG2 3.14Å; W379-V382 PolarHBondContact O-N 3.43Å; W379-D383 PolarHBondContact O-N 3.09Å
380	Y	72.3	Confident	81.7	Confident	36 Å²	36	40.4 Å²	40.4	14%	0.141	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.6	-170.8	60.3	-101.5	0	0	0	113.9	M181 V382	M181-Y380 HydrophobicContact CB-CD1 4.47Å; M181-Y380 HydrophobicContact CB-CE1 4.17Å; M181-Y380 HydrophobicContact CE-CD2 4.35Å; M181-Y380 HydrophobicContact CE-CE2 4.3Å; M181-Y380 HydrophobicContact CG-CE1 4.48Å; M181-Y380 HydrophobicContact SD-CD1 3.87Å; M181-Y380 HydrophobicContact SD-CD2 4.15Å; M181-Y380 HydrophobicContact SD-CE1 3.38Å; M181-Y380 WeakPolarHBondContact SD-CE1 3.22Å; M181-Y380 HydrophobicContact SD-CE2 3.76Å; M181-Y380 HydrophobicContact SD-CG 4.23Å; Y380-V382 VanDerWaalsContact C-N 3.26Å; Y380-V382 PolarHBondContact O-N 3.11Å
381	V	70.7	Confident	81.6	Confident	51 Å²	51	38.7 Å²	38.7	31%	0.309	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.8	178.1	-176.7	0	0	0	0	112.1	W379 Q387	W379-V381 PolarHBondContact O-N 3.47Å; V381-Q387 PolarHBondContact O-NE2 3.44Å
382	V	76.9	Confident	81.8	Confident	31 Å²	31	43.3 Å²	43.3	19%	0.188	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-5.6	-175.7	-61.2	0	0	0	0	114	M102 A378 W379 Y380 P384	M102-V382 HydrophobicContact CE-CB 4.17Å; M102-V382 HydrophobicContact CE-CG1 3.69Å; M102-V382 HydrophobicContact CE-CG2 3.44Å; M102-V382 VanDerWaalsContact CE-CG2 3.44Å; M102-V382 HydrophobicContact SD-CG1 3.84Å; M102-V382 HydrophobicContact SD-CG2 4.26Å; A378-V382 HydrophobicContact CB-CG2 4.08Å; W379-V382 HydrophobicContact CB-CG2 4.18Å; W379-V382 CarbonylContact O-C 3.6Å; W379-V382 WeakPolarHBondContact O-CG2 3.14Å; W379-V382 PolarHBondContact O-N 3.43Å; Y380-V382 VanDerWaalsContact C-N 3.26Å; Y380-V382 PolarHBondContact O-N 3.11Å; V382-P384 WeakPolarHBondContact O-CD 3.24Å
383	D	81.3	Confident	82	Confident	9 Å²	9	48 Å²	48	5%	0.048	25%	0.252	C	S	.	.			trans	-66.3	112.5	179.2	-179.8	6	0	0	0	111	A378 W379 L385 R386 Q387	A378-D383 HydrophobicContact CB-CB 4.23Å; W379-D383 PolarHBondContact O-N 3.09Å; D383-L385 PolarHBondContact O-N 3.42Å; D383-L385 WeakPolarHBondContact OD1-CB 3.1Å; D383-L385 PolarHBondContact OD1-N 3.24Å; D383-R386 HydrophobicContact CB-CB 4.28Å; D383-R386 HydrophobicContact CB-CG 4.44Å; D383-R386 PolarHBondContact O-N 3Å; D383-R386 WeakPolarHBondContact OD2-CG 3.33Å; D383-R386 IonicContact OD2-NE 3.5Å; D383-Q387 WeakPolarHBondContact O-CG 3.35Å; D383-Q387 PolarHBondContact O-N 2.92Å
384	P	82.9	Confident	82.4	Confident	18 Å²	18	44.4 Å²	44.4	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-30.9	179.7	-19.9	33.2	0	0	0	112.9	L366 P371 V382 R386 C388	L366-P384 HydrophobicContact CD1-CB 3.91Å; L366-P384 HydrophobicContact CD1-CG 3.69Å; L366-P384 HydrophobicContact CD2-CB 3.97Å; L366-P384 HydrophobicContact CD2-CG 4.33Å; L366-P384 HydrophobicContact CG-CB 3.67Å; L366-P384 HydrophobicContact CG-CG 4.03Å; P371-P384 HydrophobicContact CG-CB 4.11Å; P371-P384 HydrophobicContact CG-CG 4.14Å; V382-P384 WeakPolarHBondContact O-CD 3.24Å; P384-R386 VanDerWaalsContact C-N 3.26Å; P384-R386 PolarHBondContact O-N 2.82Å; P384-C388 WeakPolarHBondContact O-CB 3.36Å; P384-C388 PolarHBondContact O-N 3.19Å; P384-C388 PolarHBondContact O-SG 2.87Å
385	L	83.5	Confident	82.8	Confident	46 Å²	46	43.4 Å²	43.4	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-34.5	180	-62.6	-179.8	0	0	0	111.3	V367 P371 D383 A389	V367-L385 WeakPolarHBondContact O-CD2 3.33Å; P371-L385 HydrophobicContact CB-CD1 4Å; P371-L385 HydrophobicContact CB-CD2 4.06Å; P371-L385 HydrophobicContact CB-CG 3.74Å; P371-L385 HydrophobicContact CG-CD2 4Å; P371-L385 HydrophobicContact CG-CG 4.08Å; D383-L385 PolarHBondContact O-N 3.42Å; D383-L385 WeakPolarHBondContact OD1-CB 3.1Å; D383-L385 PolarHBondContact OD1-N 3.24Å; L385-A389 WeakPolarHBondContact O-CB 3.39Å; L385-A389 PolarHBondContact O-N 3.31Å
386	R	82.6	Confident	83.6	Confident	104 Å²	104	40.4 Å²	40.4	39%	0.392	21%	0.212	S	C	.	.	H	α-helix	trans	-81.4	-51.9	175.8	-71.7	175.7	170.5	174.6	-4.5	111.8	D383 P384 C388 A389	D383-R386 HydrophobicContact CB-CB 4.28Å; D383-R386 HydrophobicContact CB-CG 4.44Å; D383-R386 PolarHBondContact O-N 3Å; D383-R386 WeakPolarHBondContact OD2-CG 3.33Å; D383-R386 IonicContact OD2-NE 3.5Å; P384-R386 VanDerWaalsContact C-N 3.26Å; P384-R386 PolarHBondContact O-N 2.82Å; R386-C388 PolarHBondContact O-N 3.25Å; R386-A389 PolarHBondContact O-N 2.96Å
387	Q	83.1	Confident	84.2	Confident	18 Å²	18	43.8 Å²	43.8	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-34.8	-178.9	-71	-177.4	-28.3	0	0	113.2	V381 D383 L407	V381-Q387 PolarHBondContact O-NE2 3.44Å; D383-Q387 WeakPolarHBondContact O-CG 3.35Å; D383-Q387 PolarHBondContact O-N 2.92Å; Q387-L407 PolarHBondContact OE1-O 2.69Å
388	C	87.9	Confident	85	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-97.7	-9.6	-174.9	-62	0	0	0	0	114.4	V367 P384 R386 S390 S391 W392 C408	V367-C388 HydrophobicContact CG1-CB 4.44Å; V367-C388 HydrophobicContact CG2-CB 3.39Å; P384-C388 WeakPolarHBondContact O-CB 3.36Å; P384-C388 PolarHBondContact O-N 3.19Å; P384-C388 PolarHBondContact O-SG 2.87Å; R386-C388 PolarHBondContact O-N 3.25Å; C388-S390 VanDerWaalsContact C-N 3.33Å; C388-S390 PolarHBondContact O-N 3.46Å; C388-S391 PolarHBondContact O-N 3.2Å; C388-W392 HydrophobicContact CB-CB 4.2Å; C388-W392 WeakPolarHBondContact O-CB 3.31Å; C388-W392 VanDerWaalsContact O-CD1 3.26Å; C388-W392 PolarHBondContact O-N 3.41Å; C388-W392 VanDerWaalsContact O-N 3.13Å; C388-C408 HydrophobicContact CB-CB 3.83Å; C388-C408 WeakPolarHBondContact CB-SG 3.12Å; C388-C408 WeakPolarHBondContact SG-CA 3.31Å; C388-C408 WeakPolarHBondContact SG-CB 3.46Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 3.32Å
389	A	84.5	Confident	85.6	Confident	69 Å²	69	44.2 Å²	44.2	57%	0.57	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-50.3	-174.7	0	0	0	0	0	113.1	L385 R386	L385-A389 WeakPolarHBondContact O-CB 3.39Å; L385-A389 PolarHBondContact O-N 3.31Å; R386-A389 PolarHBondContact O-N 2.96Å
390	S	85.1	Confident	86.3	Confident	84 Å²	84	44.3 Å²	44.3	59%	0.587	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-19.4	-178.6	59.3	0	0	0	0	114.5	C388 W393	C388-S390 VanDerWaalsContact C-N 3.33Å; C388-S390 PolarHBondContact O-N 3.46Å; S390-W393 PolarHBondContact O-NE1 3.5Å
391	S	87.7	Confident	87.2	Confident	10 Å²	10	42.6 Å²	42.6	7%	0.07	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	4.2	-165.2	-65.8	0	0	0	0	114.5	C388 W393 K394	C388-S391 PolarHBondContact O-N 3.2Å; S391-W393 VanDerWaalsContact C-N 3.29Å; S391-W393 PolarHBondContact O-N 2.89Å; S391-K394 WeakPolarHBondContact O-CB 3.38Å; S391-K394 PolarHBondContact O-N 3.16Å; S391-K394 VanDerWaalsContact O-N 3.15Å; S391-K394 PolarHBondContact OG-NZ 3.34Å
392	W	89.8	Confident	88	Confident	118 Å²	118	44.6 Å²	44.6	45%	0.447	23%	0.229	S	C	.	.	H	α-helix	trans	-56.6	-38	-179.5	65	-94.7	0	0	0	113.8	V363 C388 K394 N395 L396	V363-W392 HydrophobicContact CG1-CB 4.19Å; C388-W392 HydrophobicContact CB-CB 4.2Å; C388-W392 WeakPolarHBondContact O-CB 3.31Å; C388-W392 VanDerWaalsContact O-CD1 3.26Å; C388-W392 PolarHBondContact O-N 3.41Å; C388-W392 VanDerWaalsContact O-N 3.13Å; W392-K394 PolarHBondContact O-N 3.5Å; W392-N395 WeakPolarHBondContact O-CB 3.48Å; W392-N395 PolarHBondContact O-N 3.3Å; W392-L396 HydrophobicContact CE3-CD1 4.23Å; W392-L396 HydrophobicContact CZ3-CD1 3.77Å
393	W	91.7	Very high	88.1	Confident	113 Å²	113	46 Å²	46	43%	0.428	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-24.2	-177.4	58.1	-90.6	0	0	0	112.6	S390 S391 N395 L396 L397 I399	S390-W393 PolarHBondContact O-NE1 3.5Å; S391-W393 VanDerWaalsContact C-N 3.29Å; S391-W393 PolarHBondContact O-N 2.89Å; W393-N395 VanDerWaalsContact C-N 3.26Å; W393-N395 PolarHBondContact O-N 2.93Å; W393-L396 WeakPolarHBondContact O-CB 3.44Å; W393-L396 PolarHBondContact O-N 3.06Å; W393-L396 VanDerWaalsContact O-N 3.09Å; W393-L397 HydrophobicContact CE3-CD1 3.76Å; W393-L397 HydrophobicContact CZ3-CD1 3.78Å; W393-L397 PolarHBondContact O-N 3.26Å; W393-I399 HydrophobicContact CZ3-CD1 4.23Å
394	K	93.2	Very high	87.6	Confident	29 Å²	29	50 Å²	50	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-28.9	179.5	-55	-172.6	-169.1	168.9	0	112.2	S391 W392 L396 L397 Y398 I399 E403	S391-K394 WeakPolarHBondContact O-CB 3.38Å; S391-K394 PolarHBondContact O-N 3.16Å; S391-K394 VanDerWaalsContact O-N 3.15Å; S391-K394 PolarHBondContact OG-NZ 3.34Å; W392-K394 PolarHBondContact O-N 3.5Å; K394-L396 VanDerWaalsContact C-N 3.33Å; K394-L397 PolarHBondContact O-N 3.34Å; K394-Y398 PolarHBondContact O-N 3.21Å; K394-I399 HydrophobicContact CB-CG1 4.03Å; K394-I399 PolarHBondContact O-N 3.37Å; K394-I399 VanDerWaalsContact O-N 3.14Å; K394-E403 WeakPolarHBondContact CD-OE1 3.46Å; K394-E403 WeakPolarHBondContact CD-OE2 3.46Å; K394-E403 WeakPolarHBondContact CE-OE1 3.11Å; K394-E403 IonicContact NZ-OE1 3.93Å; K394-E403 PolarHBondContact NZ-OE1 2.94Å; K394-E403 IonicContact NZ-OE2 3.51Å; K394-E403 PolarHBondContact NZ-OE2 3.28Å
395	N	92.9	Very high	86.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-41.5	171.1	-81.2	-29	0	0	0	111.4	Y359 V363 W392 W393 L397 Y398 S400 C408	Y359-N395 HydrophobicContact CE1-CB 4.13Å; Y359-N395 WeakPolarHBondContact CE1-O 3.43Å; Y359-N395 HydrophobicContact CE2-CB 4.23Å; Y359-N395 WeakPolarHBondContact OH-CB 2.89Å; Y359-N395 PolarHBondContact OH-OD1 2.83Å; V363-N395 HydrophobicContact CG2-CB 4.26Å; W392-N395 WeakPolarHBondContact O-CB 3.48Å; W392-N395 PolarHBondContact O-N 3.3Å; W393-N395 VanDerWaalsContact C-N 3.26Å; W393-N395 PolarHBondContact O-N 2.93Å; N395-L397 PolarHBondContact O-N 3.36Å; N395-Y398 PolarHBondContact O-N 3.25Å; N395-Y398 VanDerWaalsContact O-N 3.13Å; N395-S400 WeakPolarHBondContact OD1-CB 3.4Å; N395-S400 PolarHBondContact OD1-OG 3.19Å; N395-C408 WeakPolarHBondContact ND2-CB 3.19Å; N395-C408 PolarHBondContact ND2-O 2.88Å; N395-C408 PolarHBondContact ND2-SG 3.44Å; N395-C408 PolarHBondContact OD1-O 3.09Å
396	L	93.8	Very high	86.1	Confident	38 Å²	38	57 Å²	57	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-24.1	179.9	-52.9	-172.8	0	0	0	113.2	Y352 L356 A360 W392 W393 K394	Y352-L396 WeakPolarHBondContact CE2-O 3.4Å; Y352-L396 PolarHBondContact OH-O 3.36Å; L356-L396 HydrophobicContact CD1-CB 4.08Å; L356-L396 HydrophobicContact CD1-CD2 4.17Å; L356-L396 WeakPolarHBondContact CD1-O 3.34Å; A360-L396 HydrophobicContact CB-CD2 3.73Å; W392-L396 HydrophobicContact CE3-CD1 4.23Å; W392-L396 HydrophobicContact CZ3-CD1 3.77Å; W393-L396 WeakPolarHBondContact O-CB 3.44Å; W393-L396 PolarHBondContact O-N 3.06Å; W393-L396 VanDerWaalsContact O-N 3.09Å; K394-L396 VanDerWaalsContact C-N 3.33Å
397	L	94.1	Very high	85.8	Confident	88 Å²	88	52.5 Å²	52.5	46%	0.461	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.7	176.6	-65.1	-178.9	0	0	0	113.6	W393 K394 N395 I399	W393-L397 HydrophobicContact CE3-CD1 3.76Å; W393-L397 HydrophobicContact CZ3-CD1 3.78Å; W393-L397 PolarHBondContact O-N 3.26Å; K394-L397 PolarHBondContact O-N 3.34Å; N395-L397 PolarHBondContact O-N 3.36Å; L397-I399 VanDerWaalsContact C-N 3.28Å; L397-I399 HydrophobicContact CB-CD1 4.08Å; L397-I399 HydrophobicContact CB-CG1 3.94Å; L397-I399 HydrophobicContact CD1-CD1 4.12Å; L397-I399 PolarHBondContact O-N 3.3Å
398	Y	94.3	Very high	86	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.008	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	38.6	-175.7	-65.3	-65.5	0	0	0	113.6	Y352 L355 Y359 K394 N395 L415 F419 Q420	Y352-Y398 AromaticContact CD2-CD2 3.87Å; Y352-Y398 HydrophobicContact CD2-CD2 3.87Å; Y352-Y398 AromaticContact CD2-CE2 3.69Å; Y352-Y398 HydrophobicContact CD2-CE2 3.69Å; Y352-Y398 AromaticContact CE2-CD2 3.83Å; Y352-Y398 HydrophobicContact CE2-CD2 3.83Å; Y352-Y398 AromaticContact CE2-CE2 3.79Å; Y352-Y398 HydrophobicContact CE2-CE2 3.79Å; L355-Y398 WeakPolarHBondContact CB-OH 3.43Å; Y359-Y398 AromaticContact CD1-CE1 3.71Å; Y359-Y398 HydrophobicContact CD1-CE1 3.71Å; Y359-Y398 HydrophobicContact CE1-CD1 4.13Å; Y359-Y398 AromaticContact CE1-CE1 3.67Å; Y359-Y398 HydrophobicContact CE1-CE1 3.67Å; K394-Y398 PolarHBondContact O-N 3.21Å; N395-Y398 PolarHBondContact O-N 3.25Å; N395-Y398 VanDerWaalsContact O-N 3.13Å; Y398-L415 HydrophobicContact CD1-CB 4.31Å; Y398-L415 HydrophobicContact CE1-CB 3.99Å; Y398-F419 HydrophobicContact CD1-CB 4.33Å; Y398-F419 HydrophobicContact CD2-CB 4.12Å; Y398-F419 AromaticContact CD2-CD1 3.83Å; Y398-F419 HydrophobicContact CD2-CD1 3.83Å; Y398-F419 HydrophobicContact CD2-CD2 4.23Å; Y398-F419 HydrophobicContact CD2-CE1 4.3Å; Y398-F419 AromaticContact CD2-CG 3.78Å; Y398-F419 HydrophobicContact CD2-CG 3.78Å; Y398-F419 HydrophobicContact CE2-CD2 4.42Å; Y398-F419 HydrophobicContact CE2-CG 4.38Å; Y398-F419 HydrophobicContact CG-CB 3.91Å; Y398-F419 HydrophobicContact CG-CD1 4.11Å; Y398-F419 HydrophobicContact CG-CG 4.05Å; Y398-Q420 PolarHBondContact O-NE2 2.86Å
399	I	93.7	Very high	86.1	Confident	61 Å²	61	51.8 Å²	51.8	31%	0.313	27%	0.27	S	S	.	.			trans	-122.5	4.8	178.5	62.1	176.5	0	0	0	113.5	W393 K394 L397 N401 L402	W393-I399 HydrophobicContact CZ3-CD1 4.23Å; K394-I399 HydrophobicContact CB-CG1 4.03Å; K394-I399 PolarHBondContact O-N 3.37Å; K394-I399 VanDerWaalsContact O-N 3.14Å; L397-I399 VanDerWaalsContact C-N 3.28Å; L397-I399 HydrophobicContact CB-CD1 4.08Å; L397-I399 HydrophobicContact CB-CG1 3.94Å; L397-I399 HydrophobicContact CD1-CD1 4.12Å; L397-I399 PolarHBondContact O-N 3.3Å; I399-N401 VanDerWaalsContact C-N 3.25Å; I399-N401 PolarHBondContact O-N 3.01Å; I399-L402 HydrophobicContact CB-CD1 4.2Å; I399-L402 HydrophobicContact CG2-CD1 4.26Å; I399-L402 WeakPolarHBondContact O-CB 3.21Å; I399-L402 PolarHBondContact O-N 3.28Å; I399-L402 VanDerWaalsContact O-N 3.07Å
400	S	90.4	Very high	86.3	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.035	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32.6	-176.2	51.1	0	0	0	0	113.8	N395 L402 E403 L407	N395-S400 WeakPolarHBondContact OD1-CB 3.4Å; N395-S400 PolarHBondContact OD1-OG 3.19Å; S400-L402 PolarHBondContact O-N 3.45Å; S400-E403 PolarHBondContact O-N 3.44Å; S400-L407 WeakPolarHBondContact O-CD2 3.34Å
401	N	91.8	Very high	86.5	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-75.5	-7	178.4	72	-40.9	0	0	0	114.6	I399 E403 W413 A416 Q420 M490 K491	I399-N401 VanDerWaalsContact C-N 3.25Å; I399-N401 PolarHBondContact O-N 3.01Å; N401-E403 VanDerWaalsContact C-N 3.3Å; N401-W413 HydrophobicContact CB-CB 4.04Å; N401-A416 HydrophobicContact CB-CB 4.26Å; N401-A416 VanDerWaalsContact OD1-CB 3.26Å; N401-A416 WeakPolarHBondContact OD1-CB 3.25Å; N401-Q420 PolarHBondContact ND2-OE1 3.29Å; N401-Q420 PolarHBondContact OD1-NE2 2.86Å; N401-M490 WeakPolarHBondContact CB-O 3.34Å; N401-M490 PolarHBondContact ND2-O 3.17Å; N401-K491 WeakPolarHBondContact O-CD 3.38Å; N401-K491 PolarHBondContact O-NZ 2.81Å; N401-K491 VanDerWaalsContact O-NZ 3.16Å
402	L	87.8	Confident	86.8	Confident	92 Å²	92	46.7 Å²	46.7	48%	0.482	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-79.9	-16	176.9	-59.8	-178.2	0	0	0	112.3	I399 S400 K491	I399-L402 HydrophobicContact CB-CD1 4.2Å; I399-L402 HydrophobicContact CG2-CD1 4.26Å; I399-L402 WeakPolarHBondContact O-CB 3.21Å; I399-L402 PolarHBondContact O-N 3.28Å; I399-L402 VanDerWaalsContact O-N 3.07Å; S400-L402 PolarHBondContact O-N 3.45Å; L402-K491 VanDerWaalsContact C-NZ 3.29Å; L402-K491 PolarHBondContact O-NZ 2.66Å
403	E	78.1	Confident	87	Confident	60 Å²	60	41.6 Å²	41.6	28%	0.28	21%	0.207	S	C	.	.			trans	-80.1	157.7	173.4	-92.7	153.3	-137.7	0	0	113.9	K394 S400 N401 K491	K394-E403 WeakPolarHBondContact CD-OE1 3.46Å; K394-E403 WeakPolarHBondContact CD-OE2 3.46Å; K394-E403 WeakPolarHBondContact CE-OE1 3.11Å; K394-E403 IonicContact NZ-OE1 3.93Å; K394-E403 PolarHBondContact NZ-OE1 2.94Å; K394-E403 IonicContact NZ-OE2 3.51Å; K394-E403 PolarHBondContact NZ-OE2 3.28Å; S400-E403 PolarHBondContact O-N 3.44Å; N401-E403 VanDerWaalsContact C-N 3.3Å; E403-K491 PolarHBondContact O-NZ 2.77Å
404	H	70.1	Confident	87.1	Confident	94 Å²	94	37.3 Å²	37.3	44%	0.435	19%	0.191	S	C	.	.	S	Bend	trans	-106.5	-19.1	177.3	-78.6	-92.7	0	0	0	114.1	D487 K491	H404-D487 IonicContact CE1-OD1 2.75Å; H404-D487 PolarHBondContact CE1-OD1 3.1Å; H404-D487 IonicContact ND1-OD1 2.75Å; H404-D487 PolarHBondContact ND1-OD1 3.5Å; H404-K491 PolarHBondContact NE2-NZ 3.15Å
405	V	67.4	Low	87.2	Confident	121 Å²	121	36.2 Å²	36.2	73%	0.733	19%	0.186	S	C	*	.	S	Bend	trans	-95.6	-66.2	-163.5	-172.3	0	0	0	0	112.6
406	Q	68	Low	87.3	Confident	91 Å²	91	36.2 Å²	36.2	43%	0.425	19%	0.186	S	C	.	.			trans	-139.3	114.5	-175.8	-78.8	176	-4	0	0	110
407	L	77.2	Confident	87.4	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.042	18%	0.177	C	C	.	.			trans	-90	123.1	173.4	-63.4	107.5	0	0	0	109.9	Q387 S400 M409 P410 F486 M490	Q387-L407 PolarHBondContact OE1-O 2.69Å; S400-L407 WeakPolarHBondContact O-CD2 3.34Å; L407-M409 PolarHBondContact O-N 2.86Å; L407-P410 HydrophobicContact CB-CB 4.18Å; L407-F486 HydrophobicContact CD1-CD1 3.57Å; L407-F486 HydrophobicContact CD1-CE1 3.14Å; L407-F486 HydrophobicContact CD1-CZ 4.16Å; L407-M490 HydrophobicContact CD1-SD 3.86Å; L407-M490 HydrophobicContact CD2-SD 4.23Å
408	C	86.8	Confident	87.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	-65.7	127.7	159.8	176.9	0	0	0	0	109	C388 N395	C388-C408 HydrophobicContact CB-CB 3.83Å; C388-C408 WeakPolarHBondContact CB-SG 3.12Å; C388-C408 WeakPolarHBondContact SG-CA 3.31Å; C388-C408 WeakPolarHBondContact SG-CB 3.46Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 3.32Å; N395-C408 WeakPolarHBondContact ND2-CB 3.19Å; N395-C408 PolarHBondContact ND2-O 2.88Å; N395-C408 PolarHBondContact ND2-SG 3.44Å; N395-C408 PolarHBondContact OD1-O 3.09Å
409	M	89.4	Confident	87.6	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	54.5	64.1	-176.3	-65	-175	75.3	0	0	112.8	Y359 V363 L366 L407 W411 T412	Y359-M409 HydrophobicContact CE2-SD 4.21Å; V363-M409 HydrophobicContact CB-SD 4.4Å; V363-M409 HydrophobicContact CG2-SD 3.6Å; L366-M409 HydrophobicContact CD2-CE 4.25Å; L366-M409 HydrophobicContact CD2-CG 3.25Å; L366-M409 HydrophobicContact CD2-SD 3.93Å; L407-M409 PolarHBondContact O-N 2.86Å; M409-W411 HydrophobicContact CB-CZ2 4.32Å; M409-W411 HydrophobicContact CE-CZ2 3.81Å; M409-W411 HydrophobicContact CG-CZ2 4.17Å; M409-W411 PolarHBondContact O-N 3.26Å; M409-T412 HydrophobicContact CB-CG2 3.92Å; M409-T412 HydrophobicContact CE-CG2 3.85Å; M409-T412 WeakPolarHBondContact O-CB 3.42Å; M409-T412 PolarHBondContact O-N 3.48Å; M409-T412 PolarHBondContact O-OG1 2.85Å
410	P	88.1	Confident	87.7	Confident	36 Å²	36	30.6 Å²	30.6	23%	0.234	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34.1	-169.8	20.6	-32.7	0	0	0	113	L407 T412 W413	L407-P410 HydrophobicContact CB-CB 4.18Å; P410-T412 PolarHBondContact O-N 3.46Å; P410-T412 VanDerWaalsContact O-N 3.1Å; P410-W413 PolarHBondContact O-N 2.65Å
411	W	90.8	Very high	88	Confident	21 Å²	21	30.4 Å²	30.4	8%	0.08	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.6	177.8	55.7	94	0	0	0	114.2	L366 M409 W413 Y603 L604 C607 V608	L366-W411 HydrophobicContact CD2-CH2 3.92Å; L366-W411 HydrophobicContact CD2-CZ2 3.98Å; M409-W411 HydrophobicContact CB-CZ2 4.32Å; M409-W411 HydrophobicContact CE-CZ2 3.81Å; M409-W411 HydrophobicContact CG-CZ2 4.17Å; M409-W411 PolarHBondContact O-N 3.26Å; W411-W413 VanDerWaalsContact C-N 3.33Å; W411-W413 PolarHBondContact O-N 3.3Å; W411-Y603 PolarHBondContact O-OH 3.5Å; W411-L604 PolarHBondContact NE1-O 3.11Å; W411-C607 HydrophobicContact CD2-CB 3.53Å; W411-C607 VanDerWaalsContact CD2-SG 3.57Å; W411-C607 HydrophobicContact CE3-CB 3.57Å; W411-C607 HydrophobicContact CG-CB 4.09Å; W411-C607 VanDerWaalsContact CG-SG 3.52Å; W411-C607 HydrophobicContact CH2-CB 4Å; W411-C607 HydrophobicContact CZ2-CB 3.94Å; W411-C607 HydrophobicContact CZ3-CB 3.81Å; W411-V608 HydrophobicContact CZ2-CG2 4.17Å
412	T	94.1	Very high	88.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-84.6	1	-176.3	63.7	0	0	0	0	114.9	Y359 M409 P410 Y414 L415 L604	Y359-T412 HydrophobicContact CE2-CG2 3.9Å; Y359-T412 WeakPolarHBondContact OH-CB 3.34Å; Y359-T412 PolarHBondContact OH-OG1 3.19Å; M409-T412 HydrophobicContact CB-CG2 3.92Å; M409-T412 HydrophobicContact CE-CG2 3.85Å; M409-T412 WeakPolarHBondContact O-CB 3.42Å; M409-T412 PolarHBondContact O-N 3.48Å; M409-T412 PolarHBondContact O-OG1 2.85Å; P410-T412 PolarHBondContact O-N 3.46Å; P410-T412 VanDerWaalsContact O-N 3.1Å; T412-Y414 PolarHBondContact O-N 3.28Å; T412-L415 HydrophobicContact CG2-CD1 4.5Å; T412-L415 WeakPolarHBondContact O-CB 3.23Å; T412-L415 PolarHBondContact O-N 3.03Å; T412-L604 HydrophobicContact CG2-CD2 4.32Å
413	W	93.7	Very high	88.6	Confident	11 Å²	11	29.2 Å²	29.2	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-48.8	-35.8	176.8	71.8	-98	0	0	0	113	V311 F315 N401 P410 W411 L415 A416 A417 Y489 M490 W495	V311-W413 HydrophobicContact CB-CH2 4.28Å; V311-W413 HydrophobicContact CB-CZ2 4.16Å; V311-W413 HydrophobicContact CG1-CH2 3.82Å; V311-W413 HydrophobicContact CG1-CZ2 3.92Å; V311-W413 HydrophobicContact CG2-CZ2 4.02Å; F315-W413 HydrophobicContact CE2-CH2 4.03Å; F315-W413 HydrophobicContact CE2-CZ3 4.05Å; F315-W413 HydrophobicContact CZ-CH2 4.38Å; F315-W413 AromaticContact CZ-CZ3 3.95Å; F315-W413 HydrophobicContact CZ-CZ3 3.95Å; N401-W413 HydrophobicContact CB-CB 4.04Å; P410-W413 PolarHBondContact O-N 2.65Å; W411-W413 VanDerWaalsContact C-N 3.33Å; W411-W413 PolarHBondContact O-N 3.3Å; W413-L415 VanDerWaalsContact C-N 3.32Å; W413-L415 PolarHBondContact O-N 3.14Å; W413-A416 WeakPolarHBondContact O-CB 3.49Å; W413-A416 PolarHBondContact O-N 3.24Å; W413-A417 HydrophobicContact CE3-CB 4.28Å; W413-A417 HydrophobicContact CZ3-CB 4.33Å; W413-A417 PolarHBondContact O-N 3.47Å; W413-Y489 AromaticContact CE2-CE1 3.8Å; W413-Y489 HydrophobicContact CH2-CE1 4.25Å; W413-Y489 HydrophobicContact CZ2-CD1 4.08Å; W413-Y489 AromaticContact CZ2-CE1 3.43Å; W413-Y489 HydrophobicContact CZ2-CE1 3.43Å; W413-Y489 VanDerWaalsContact CZ2-CE1 3.43Å; W413-Y489 AromaticContact CZ2-CZ 3.9Å; W413-Y489 WeakPolarHBondContact CZ3-O 3.36Å; W413-Y489 AromaticContact NE1-CE1 3.95Å; W413-M490 HydrophobicContact CB-CB 4.12Å; W413-M490 HydrophobicContact CB-CG 4.08Å; W413-M490 HydrophobicContact CB-SD 4.23Å; W413-M490 HydrophobicContact CD2-CB 4.18Å; W413-M490 HydrophobicContact CD2-CG 3.98Å; W413-M490 HydrophobicContact CE3-CB 4.31Å; W413-M490 HydrophobicContact CG-CB 4.1Å; W413-M490 HydrophobicContact CG-CE 4.46Å; W413-M490 HydrophobicContact CG-CG 3.73Å; W413-M490 HydrophobicContact CG-SD 4.23Å; W413-W495 AromaticContact CH2-CD1 3.87Å; W413-W495 HydrophobicContact CH2-CD2 4.4Å; W413-W495 AromaticContact CH2-CE2 3.49Å; W413-W495 VanDerWaalsContact CH2-CE2 3.49Å; W413-W495 AromaticContact CH2-CZ2 3.76Å; W413-W495 HydrophobicContact CH2-CZ2 3.76Å; W413-W495 AromaticContact CH2-NE1 3.11Å; W413-W495 HydrophobicContact CZ2-CZ2 4.38Å; W413-W495 AromaticContact CZ3-CD1 3.59Å; W413-W495 AromaticContact CZ3-NE1 3.17Å
414	Y	93.6	Very high	89.4	Confident	22 Å²	22	31.5 Å²	31.5	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-40.9	178.2	159.1	-104	0	0	0	112.1	V311 F314 F315 T412 A416 A417 D418 Y603	V311-Y414 HydrophobicContact CG1-CD2 3.18Å; V311-Y414 HydrophobicContact CG1-CE2 4Å; V311-Y414 HydrophobicContact CG1-CG 3.54Å; F314-Y414 HydrophobicContact CB-CE1 4.25Å; F314-Y414 HydrophobicContact CB-CE2 3.82Å; F314-Y414 WeakPolarHBondContact CB-OH 3.15Å; F315-Y414 HydrophobicContact CD1-CD2 4.21Å; F315-Y414 AromaticContact CD1-CE2 3.77Å; F315-Y414 HydrophobicContact CD1-CE2 3.77Å; F315-Y414 HydrophobicContact CD2-CD2 4.05Å; F315-Y414 HydrophobicContact CD2-CE2 4.01Å; F315-Y414 AromaticContact CE1-CD2 3.74Å; F315-Y414 HydrophobicContact CE1-CD2 3.74Å; F315-Y414 AromaticContact CE1-CE2 3.73Å; F315-Y414 HydrophobicContact CE1-CE2 3.73Å; F315-Y414 AromaticContact CE2-CD2 3.58Å; F315-Y414 HydrophobicContact CE2-CD2 3.58Å; F315-Y414 AromaticContact CE2-CE2 3.99Å; F315-Y414 HydrophobicContact CE2-CE2 3.99Å; F315-Y414 HydrophobicContact CG-CD2 4.37Å; F315-Y414 AromaticContact CG-CE2 3.93Å; F315-Y414 HydrophobicContact CG-CE2 3.93Å; F315-Y414 AromaticContact CZ-CD2 3.42Å; F315-Y414 HydrophobicContact CZ-CD2 3.42Å; F315-Y414 VanDerWaalsContact CZ-CD2 3.42Å; F315-Y414 AromaticContact CZ-CE2 3.86Å; F315-Y414 HydrophobicContact CZ-CE2 3.86Å; T412-Y414 PolarHBondContact O-N 3.28Å; Y414-A416 VanDerWaalsContact C-N 3.31Å; Y414-A416 PolarHBondContact O-N 3.11Å; Y414-A417 PolarHBondContact O-N 3.49Å; Y414-D418 HydrophobicContact CE2-CB 4.17Å; Y414-D418 WeakPolarHBondContact O-CB 3.31Å; Y414-D418 PolarHBondContact O-N 2.85Å; Y414-Y603 WeakPolarHBondContact CB-OH 2.91Å; Y414-Y603 HydrophobicContact CD1-CE1 4.17Å
415	L	94.9	Very high	90.7	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-66.2	-38.3	-180	-62.8	174.7	0	0	0	111.2	Y398 T412 W413 F419 Y600 Y603 L604	Y398-L415 HydrophobicContact CD1-CB 4.31Å; Y398-L415 HydrophobicContact CE1-CB 3.99Å; T412-L415 HydrophobicContact CG2-CD1 4.5Å; T412-L415 WeakPolarHBondContact O-CB 3.23Å; T412-L415 PolarHBondContact O-N 3.03Å; W413-L415 VanDerWaalsContact C-N 3.32Å; W413-L415 PolarHBondContact O-N 3.14Å; L415-F419 PolarHBondContact O-N 3.47Å; L415-F419 VanDerWaalsContact O-N 3.11Å; L415-Y600 HydrophobicContact CD1-CE2 3.93Å; L415-Y600 HydrophobicContact CD2-CD2 4.4Å; L415-Y600 HydrophobicContact CD2-CE2 3.76Å; L415-Y603 HydrophobicContact CD1-CD1 4.35Å; L415-Y603 HydrophobicContact CD1-CE1 3.96Å; L415-Y603 HydrophobicContact CD2-CD1 4.49Å; L415-Y603 HydrophobicContact CD2-CE1 4.16Å; L415-Y603 HydrophobicContact CG-CD1 4.49Å; L415-Y603 HydrophobicContact CG-CE1 3.83Å; L415-L604 HydrophobicContact CD1-CD2 3.67Å
416	A	95.2	Very high	92	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.6	-51.4	175.4	0	0	0	0	0	110.9	N401 W413 Y414 D418 F419 Q420	N401-A416 HydrophobicContact CB-CB 4.26Å; N401-A416 VanDerWaalsContact OD1-CB 3.26Å; N401-A416 WeakPolarHBondContact OD1-CB 3.25Å; W413-A416 WeakPolarHBondContact O-CB 3.49Å; W413-A416 PolarHBondContact O-N 3.24Å; Y414-A416 VanDerWaalsContact C-N 3.31Å; Y414-A416 PolarHBondContact O-N 3.11Å; A416-D418 VanDerWaalsContact C-N 3.33Å; A416-D418 PolarHBondContact O-N 3.32Å; A416-F419 PolarHBondContact O-N 3.01Å; A416-Q420 WeakPolarHBondContact O-CB 3.42Å; A416-Q420 VanDerWaalsContact O-CD 3.31Å; A416-Q420 WeakPolarHBondContact O-CG 3.27Å; A416-Q420 PolarHBondContact O-N 3.46Å
417	A	95.6	Very high	93.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-41.6	176.6	0	0	0	0	0	112.7	F315 W413 Y414 Q420 L421 P492	F315-A417 HydrophobicContact CE1-CB 4.01Å; F315-A417 HydrophobicContact CZ-CB 3.79Å; W413-A417 HydrophobicContact CE3-CB 4.28Å; W413-A417 HydrophobicContact CZ3-CB 4.33Å; W413-A417 PolarHBondContact O-N 3.47Å; Y414-A417 PolarHBondContact O-N 3.49Å; A417-Q420 PolarHBondContact O-N 2.9Å; A417-L421 WeakPolarHBondContact O-CB 3.25Å; A417-L421 VanDerWaalsContact O-CG 3.27Å; A417-L421 WeakPolarHBondContact O-CG 3.27Å; A417-L421 PolarHBondContact O-N 3.41Å; A417-P492 HydrophobicContact CB-CB 4.36Å
418	D	95.9	Very high	94.1	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.043	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-43.3	179.2	177.9	65.7	0	0	0	112.4	F315 S318 R351 Y414 A416 F422	F315-D418 HydrophobicContact CD1-CB 4.46Å; F315-D418 HydrophobicContact CE1-CB 4.09Å; S318-D418 WeakPolarHBondContact CB-OD1 3.49Å; S318-D418 PolarHBondContact OG-OD1 2.77Å; S318-D418 PolarHBondContact OG-OD2 2.81Å; R351-D418 IonicContact CZ-OD2 3.65Å; R351-D418 VanDerWaalsContact NH2-CG 3.34Å; R351-D418 IonicContact NH2-OD1 2.79Å; R351-D418 PolarHBondContact NH2-OD1 3.01Å; R351-D418 IonicContact NH2-OD2 3.89Å; R351-D418 PolarHBondContact NH2-OD2 3.03Å; Y414-D418 HydrophobicContact CE2-CB 4.17Å; Y414-D418 WeakPolarHBondContact O-CB 3.31Å; Y414-D418 PolarHBondContact O-N 2.85Å; A416-D418 VanDerWaalsContact C-N 3.33Å; A416-D418 PolarHBondContact O-N 3.32Å; D418-F422 WeakPolarHBondContact O-CB 3.44Å; D418-F422 PolarHBondContact O-N 3.25Å
419	F	96.2	Very high	94.5	Very high	26 Å²	26	21.9 Å²	21.9	11%	0.114	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-41.8	176.7	-172.2	-100.2	0	0	0	111.7	I348 R351 Y352 Y398 L415 A416 F422 V423	I348-F419 HydrophobicContact CG2-CZ 4.29Å; R351-F419 HydrophobicContact CG-CD2 4.46Å; R351-F419 HydrophobicContact CG-CE2 4.5Å; Y352-F419 HydrophobicContact CD2-CE1 4.43Å; Y352-F419 HydrophobicContact CD2-CE2 4.23Å; Y352-F419 AromaticContact CD2-CZ 3.94Å; Y352-F419 HydrophobicContact CD2-CZ 3.94Å; Y352-F419 HydrophobicContact CG-CZ 4.41Å; Y398-F419 HydrophobicContact CD1-CB 4.33Å; Y398-F419 HydrophobicContact CD2-CB 4.12Å; Y398-F419 AromaticContact CD2-CD1 3.83Å; Y398-F419 HydrophobicContact CD2-CD1 3.83Å; Y398-F419 HydrophobicContact CD2-CD2 4.23Å; Y398-F419 HydrophobicContact CD2-CE1 4.3Å; Y398-F419 AromaticContact CD2-CG 3.78Å; Y398-F419 HydrophobicContact CD2-CG 3.78Å; Y398-F419 HydrophobicContact CE2-CD2 4.42Å; Y398-F419 HydrophobicContact CE2-CG 4.38Å; Y398-F419 HydrophobicContact CG-CB 3.91Å; Y398-F419 HydrophobicContact CG-CD1 4.11Å; Y398-F419 HydrophobicContact CG-CG 4.05Å; L415-F419 PolarHBondContact O-N 3.47Å; L415-F419 VanDerWaalsContact O-N 3.11Å; A416-F419 PolarHBondContact O-N 3.01Å; F419-F422 HydrophobicContact CD2-CD1 4.4Å; F419-F422 HydrophobicContact CE2-CD1 4.34Å; F419-F422 HydrophobicContact CE2-CE1 4.49Å; F419-F422 WeakPolarHBondContact O-CB 3.3Å; F419-F422 PolarHBondContact O-N 3.44Å; F419-V423 HydrophobicContact CD1-CG2 4.25Å; F419-V423 HydrophobicContact CE1-CG2 3.86Å; F419-V423 HydrophobicContact CZ-CG2 4.08Å; F419-V423 WeakPolarHBondContact O-CG2 3.5Å; F419-V423 PolarHBondContact O-N 2.65Å
420	Q	96.2	Very high	94.6	Very high	37 Å²	37	23.5 Å²	23.5	17%	0.173	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-48.8	175.9	-70.1	160.9	5.1	0	0	111.6	Y398 N401 A416 A417 F422 V423 L424 P492	Y398-Q420 PolarHBondContact O-NE2 2.86Å; N401-Q420 PolarHBondContact ND2-OE1 3.29Å; N401-Q420 PolarHBondContact OD1-NE2 2.86Å; A416-Q420 WeakPolarHBondContact O-CB 3.42Å; A416-Q420 VanDerWaalsContact O-CD 3.31Å; A416-Q420 WeakPolarHBondContact O-CG 3.27Å; A416-Q420 PolarHBondContact O-N 3.46Å; A417-Q420 PolarHBondContact O-N 2.9Å; Q420-F422 VanDerWaalsContact C-N 3.29Å; Q420-F422 PolarHBondContact O-N 3.18Å; Q420-V423 PolarHBondContact O-N 3.04Å; Q420-L424 WeakPolarHBondContact O-CB 3.13Å; Q420-L424 PolarHBondContact O-N 3.27Å; Q420-P492 HydrophobicContact CB-CB 4.47Å
421	L	96.8	Very high	94.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-38.6	177	-72.6	169.7	0	0	0	111.4	F315 A417 L424 H425 P492 W496 Y499	F315-L421 HydrophobicContact CD1-CD1 3.9Å; F315-L421 HydrophobicContact CE1-CD1 3.77Å; A417-L421 WeakPolarHBondContact O-CB 3.25Å; A417-L421 VanDerWaalsContact O-CG 3.27Å; A417-L421 WeakPolarHBondContact O-CG 3.27Å; A417-L421 PolarHBondContact O-N 3.41Å; L421-L424 PolarHBondContact O-N 3.32Å; L421-H425 WeakPolarHBondContact O-CB 3.32Å; L421-H425 PolarHBondContact O-N 3.22Å; L421-H425 PolarHBondContact O-ND1 3.28Å; L421-P492 HydrophobicContact CD2-CB 4.27Å; L421-P492 HydrophobicContact CG-CB 4.14Å; L421-W496 HydrophobicContact CD2-CG 4.45Å; L421-Y499 HydrophobicContact CB-CD1 4.1Å; L421-Y499 HydrophobicContact CB-CD2 3.96Å; L421-Y499 HydrophobicContact CB-CE1 4.17Å; L421-Y499 HydrophobicContact CB-CE2 4Å; L421-Y499 HydrophobicContact CB-CG 4Å; L421-Y499 HydrophobicContact CD1-CD2 4.05Å; L421-Y499 HydrophobicContact CD1-CG 4.01Å
422	F	96.2	Very high	95	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-49	173.3	159.8	-100.9	0	0	0	113.3	F322 I348 R351 D418 F419 Q420 L424 H425 F426 Y499	F322-F422 AromaticContact CD1-CD2 3.92Å; F322-F422 HydrophobicContact CD1-CD2 3.92Å; F322-F422 AromaticContact CD2-CD2 3.52Å; F322-F422 HydrophobicContact CD2-CD2 3.52Å; F322-F422 AromaticContact CD2-CE2 3.43Å; F322-F422 HydrophobicContact CD2-CE2 3.43Å; F322-F422 VanDerWaalsContact CD2-CE2 3.43Å; F322-F422 AromaticContact CE1-CD2 3.93Å; F322-F422 HydrophobicContact CE1-CD2 3.93Å; F322-F422 HydrophobicContact CE1-CE2 4.41Å; F322-F422 AromaticContact CE2-CD2 3.59Å; F322-F422 HydrophobicContact CE2-CD2 3.59Å; F322-F422 AromaticContact CE2-CE2 3.27Å; F322-F422 HydrophobicContact CE2-CE2 3.27Å; F322-F422 HydrophobicContact CE2-CZ 4.45Å; F322-F422 AromaticContact CG-CD2 3.72Å; F322-F422 HydrophobicContact CG-CD2 3.72Å; F322-F422 HydrophobicContact CG-CE2 4.13Å; F322-F422 AromaticContact CZ-CD2 3.8Å; F322-F422 HydrophobicContact CZ-CD2 3.8Å; F322-F422 AromaticContact CZ-CE2 3.81Å; F322-F422 HydrophobicContact CZ-CE2 3.81Å; I348-F422 HydrophobicContact CB-CE1 4.41Å; I348-F422 HydrophobicContact CG1-CE1 4.06Å; I348-F422 HydrophobicContact CG1-CZ 4.28Å; I348-F422 HydrophobicContact CG2-CE1 4.47Å; R351-F422 HydrophobicContact CB-CE1 4.04Å; R351-F422 HydrophobicContact CB-CZ 4.06Å; R351-F422 VanDerWaalsContact CD-CE1 3.43Å; R351-F422 HydrophobicContact CG-CE1 4.34Å; R351-F422 HydrophobicContact CG-CZ 4.49Å; R351-F422 VanDerWaalsContact CZ-CB 3.44Å; D418-F422 WeakPolarHBondContact O-CB 3.44Å; D418-F422 PolarHBondContact O-N 3.25Å; F419-F422 HydrophobicContact CD2-CD1 4.4Å; F419-F422 HydrophobicContact CE2-CD1 4.34Å; F419-F422 HydrophobicContact CE2-CE1 4.49Å; F419-F422 WeakPolarHBondContact O-CB 3.3Å; F419-F422 PolarHBondContact O-N 3.44Å; Q420-F422 VanDerWaalsContact C-N 3.29Å; Q420-F422 PolarHBondContact O-N 3.18Å; F422-L424 VanDerWaalsContact C-N 3.33Å; F422-H425 PolarHBondContact O-N 2.87Å; F422-F426 AromaticContact CE2-CD2 3.91Å; F422-F426 HydrophobicContact CE2-CD2 3.91Å; F422-F426 HydrophobicContact CE2-CE2 4.39Å; F422-F426 AromaticContact CZ-CD2 3.89Å; F422-F426 HydrophobicContact CZ-CD2 3.89Å; F422-F426 HydrophobicContact CZ-CE2 4.22Å; F422-F426 PolarHBondContact O-N 2.83Å; F422-Y499 VanDerWaalsContact CA-OH 3.25Å; F422-Y499 WeakPolarHBondContact CA-OH 3.39Å
423	V	95.7	Very high	94.8	Very high	63 Å²	63	25.7 Å²	25.7	38%	0.382	14%	0.137	S	C	.	.	H	α-helix	trans	-62.6	-44.8	-180	173.9	0	0	0	0	109.9	F419 Q420 H425 F426	F419-V423 HydrophobicContact CD1-CG2 4.25Å; F419-V423 HydrophobicContact CE1-CG2 3.86Å; F419-V423 HydrophobicContact CZ-CG2 4.08Å; F419-V423 WeakPolarHBondContact O-CG2 3.5Å; F419-V423 PolarHBondContact O-N 2.65Å; Q420-V423 PolarHBondContact O-N 3.04Å; V423-H425 PolarHBondContact O-N 3.15Å; V423-F426 WeakPolarHBondContact O-CB 3.4Å; V423-F426 PolarHBondContact O-N 3.28Å
424	L	95.8	Very high	94.6	Very high	108 Å²	108	32 Å²	32	57%	0.565	17%	0.165	S	C	*	.	H	α-helix	trans	-60	-42.8	179.5	-178.5	64.2	0	0	0	112.8	Q420 L421 F422 P427	Q420-L424 WeakPolarHBondContact O-CB 3.13Å; Q420-L424 PolarHBondContact O-N 3.27Å; L421-L424 PolarHBondContact O-N 3.32Å; F422-L424 VanDerWaalsContact C-N 3.33Å; L424-P427 WeakPolarHBondContact O-CD 3.46Å
425	H	96.2	Very high	94.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-90.1	-1.3	-176.1	-66.2	83.1	0	0	0	113.9	L421 F422 V423 L428 V429 W496 Y499 L500 M503	L421-H425 WeakPolarHBondContact O-CB 3.32Å; L421-H425 PolarHBondContact O-N 3.22Å; L421-H425 PolarHBondContact O-ND1 3.28Å; F422-H425 PolarHBondContact O-N 2.87Å; V423-H425 PolarHBondContact O-N 3.15Å; H425-L428 WeakPolarHBondContact O-CB 3.4Å; H425-L428 PolarHBondContact O-N 3.35Å; H425-L428 VanDerWaalsContact O-N 3.13Å; H425-V429 PolarHBondContact O-N 3.24Å; H425-V429 VanDerWaalsContact O-N 3.1Å; H425-W496 AromaticContact CE1-CD1 3.42Å; H425-W496 VanDerWaalsContact CE1-CD1 3.42Å; H425-W496 AromaticContact CE1-NE1 3.03Å; H425-W496 PolarHBondContact CE1-NE1 3.42Å; H425-W496 AromaticContact NE2-CD1 3.47Å; H425-W496 AromaticContact NE2-CE2 3.87Å; H425-W496 AromaticContact NE2-NE1 2.78Å; H425-W496 PolarHBondContact NE2-NE1 2.93Å; H425-Y499 HydrophobicContact CB-CE1 4.09Å; H425-Y499 AromaticContact ND1-CD1 3.98Å; H425-Y499 AromaticContact ND1-CE1 3.92Å; H425-L500 VanDerWaalsContact CD2-CD2 3.45Å; H425-L500 WeakPolarHBondContact CD2-CD2 3.14Å; H425-L500 VanDerWaalsContact NE2-CD2 3.29Å; H425-L500 WeakPolarHBondContact NE2-CD2 3.07Å; H425-M503 HydrophobicContact CB-SD 3.94Å
426	F	95.4	Very high	94.5	Very high	10 Å²	10	39.1 Å²	39.1	4%	0.044	20%	0.201	C	C	.	.	H	α-helix	trans	-55.8	-46.9	179.3	-167.5	-85	0	0	0	113.6	F322 M326 C344 T347 I348 F422 V423 L428 V429 L430	F322-F426 AromaticContact CE2-CD2 3.96Å; F322-F426 HydrophobicContact CE2-CD2 3.96Å; F322-F426 HydrophobicContact CE2-CE2 4.34Å; F322-F426 HydrophobicContact CZ-CB 4.34Å; F322-F426 AromaticContact CZ-CD2 3.77Å; F322-F426 HydrophobicContact CZ-CD2 3.77Å; F322-F426 HydrophobicContact CZ-CG 4.36Å; M326-F426 HydrophobicContact CE-CE1 3.98Å; M326-F426 HydrophobicContact CE-CE2 3.63Å; M326-F426 HydrophobicContact CE-CZ 3.24Å; M326-F426 HydrophobicContact SD-CE2 4.04Å; M326-F426 HydrophobicContact SD-CZ 4.22Å; C344-F426 HydrophobicContact CB-CE1 3.75Å; C344-F426 HydrophobicContact CB-CZ 4.14Å; T347-F426 HydrophobicContact CG2-CE2 3.67Å; T347-F426 HydrophobicContact CG2-CZ 4.22Å; I348-F426 HydrophobicContact CG1-CD2 4.43Å; I348-F426 HydrophobicContact CG1-CE2 4.43Å; F422-F426 AromaticContact CE2-CD2 3.91Å; F422-F426 HydrophobicContact CE2-CD2 3.91Å; F422-F426 HydrophobicContact CE2-CE2 4.39Å; F422-F426 AromaticContact CZ-CD2 3.89Å; F422-F426 HydrophobicContact CZ-CD2 3.89Å; F422-F426 HydrophobicContact CZ-CE2 4.22Å; F422-F426 PolarHBondContact O-N 2.83Å; V423-F426 WeakPolarHBondContact O-CB 3.4Å; V423-F426 PolarHBondContact O-N 3.28Å; F426-L428 VanDerWaalsContact C-N 3.31Å; F426-L428 PolarHBondContact O-N 2.63Å; F426-V429 PolarHBondContact O-N 3.25Å; F426-L430 HydrophobicContact CD1-CD1 4.14Å; F426-L430 HydrophobicContact CE1-CD1 3.8Å; F426-L430 HydrophobicContact CE1-CG 4.3Å; F426-L430 PolarHBondContact O-N 2.87Å
427	P	93.9	Very high	94.5	Very high	83 Å²	83	47.6 Å²	47.6	54%	0.539	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-35.6	176.2	-20.5	34.7	0	0	0	112.8	L424 V429 L430 L431	L424-P427 WeakPolarHBondContact O-CD 3.46Å; P427-V429 PolarHBondContact O-N 3.32Å; P427-L430 WeakPolarHBondContact O-CB 3.47Å; P427-L430 PolarHBondContact O-N 3.1Å; P427-L431 PolarHBondContact O-N 3.07Å
428	L	95.3	Very high	94.5	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-38.5	-179.2	-174.5	58.8	0	0	0	111.8	H425 F426 L431 L432 A439 A442 L446 L500 M503	H425-L428 WeakPolarHBondContact O-CB 3.4Å; H425-L428 PolarHBondContact O-N 3.35Å; H425-L428 VanDerWaalsContact O-N 3.13Å; F426-L428 VanDerWaalsContact C-N 3.31Å; F426-L428 PolarHBondContact O-N 2.63Å; L428-L431 HydrophobicContact CD1-CD2 4.42Å; L428-L431 WeakPolarHBondContact O-CB 3.33Å; L428-L431 PolarHBondContact O-N 3.03Å; L428-L431 VanDerWaalsContact O-N 3.16Å; L428-L432 PolarHBondContact O-N 3.46Å; L428-A439 HydrophobicContact CD1-CB 4.27Å; L428-A442 HydrophobicContact CD1-CB 4.09Å; L428-L446 HydrophobicContact CD2-CD1 3.88Å; L428-L500 HydrophobicContact CD2-CD2 4.35Å; L428-M503 HydrophobicContact CD2-CE 3.63Å; L428-M503 HydrophobicContact CD2-SD 4.1Å; L428-M503 HydrophobicContact CG-CE 4.14Å; L428-M503 HydrophobicContact CG-SD 4.38Å
429	V	94.6	Very high	94.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-37.2	174	175.3	0	0	0	0	112.1	F322 M326 L327 H425 F426 P427 L431 L432 L433 M503	F322-V429 HydrophobicContact CD1-CG2 4.08Å; F322-V429 HydrophobicContact CE1-CB 4.17Å; F322-V429 HydrophobicContact CE1-CG2 3.42Å; F322-V429 VanDerWaalsContact CE1-CG2 3.42Å; F322-V429 HydrophobicContact CZ-CB 4.02Å; F322-V429 HydrophobicContact CZ-CG1 4.41Å; F322-V429 HydrophobicContact CZ-CG2 3.79Å; M326-V429 HydrophobicContact CB-CG1 3.91Å; M326-V429 HydrophobicContact CG-CG1 3.79Å; L327-V429 HydrophobicContact CD2-CG1 4.27Å; L327-V429 HydrophobicContact CG-CG1 4.14Å; H425-V429 PolarHBondContact O-N 3.24Å; H425-V429 VanDerWaalsContact O-N 3.1Å; F426-V429 PolarHBondContact O-N 3.25Å; P427-V429 PolarHBondContact O-N 3.32Å; V429-L431 VanDerWaalsContact C-N 3.29Å; V429-L431 PolarHBondContact O-N 2.89Å; V429-L432 WeakPolarHBondContact O-CB 3.49Å; V429-L432 PolarHBondContact O-N 3.33Å; V429-L433 PolarHBondContact O-N 3.27Å; V429-M503 HydrophobicContact CG2-CG 3.75Å; V429-M503 HydrophobicContact CG2-SD 3.73Å
430	L	92.6	Very high	94.6	Very high	35 Å²	35	51.1 Å²	51.1	18%	0.183	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-34.8	172	-67	-180	0	0	0	111.9	M326 A330 F426 P427 L433 K434	M326-L430 HydrophobicContact CE-CD2 3.62Å; M326-L430 HydrophobicContact CE-CG 4.41Å; A330-L430 HydrophobicContact CB-CD2 4.21Å; F426-L430 HydrophobicContact CD1-CD1 4.14Å; F426-L430 HydrophobicContact CE1-CD1 3.8Å; F426-L430 HydrophobicContact CE1-CG 4.3Å; F426-L430 PolarHBondContact O-N 2.87Å; P427-L430 WeakPolarHBondContact O-CB 3.47Å; P427-L430 PolarHBondContact O-N 3.1Å; L430-L433 WeakPolarHBondContact O-CB 3.33Å; L430-L433 PolarHBondContact O-N 3.28Å; L430-K434 PolarHBondContact O-N 3.43Å
431	L	92.7	Very high	94.6	Very high	59 Å²	59	54.7 Å²	54.7	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-36.2	175.5	-166.8	66.2	0	0	0	111.8	P427 L428 V429 L433 K434 K435 V438 A439	P427-L431 PolarHBondContact O-N 3.07Å; L428-L431 HydrophobicContact CD1-CD2 4.42Å; L428-L431 WeakPolarHBondContact O-CB 3.33Å; L428-L431 PolarHBondContact O-N 3.03Å; L428-L431 VanDerWaalsContact O-N 3.16Å; V429-L431 VanDerWaalsContact C-N 3.29Å; V429-L431 PolarHBondContact O-N 2.89Å; L431-L433 PolarHBondContact O-N 3.41Å; L431-K434 PolarHBondContact O-N 3.09Å; L431-K435 HydrophobicContact CD1-CB 4.14Å; L431-K435 CarbonylContact O-C 3.43Å; L431-K435 VanDerWaalsContact O-C 3.32Å; L431-K435 PolarHBondContact O-N 2.74Å; L431-V438 HydrophobicContact CD2-CG1 4.31Å; L431-A439 HydrophobicContact CB-CB 4.04Å; L431-A439 HydrophobicContact CD2-CB 4.06Å; L431-A439 HydrophobicContact CG-CB 3.85Å
432	L	94.2	Very high	94.7	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-33.7	172.9	-77.3	167.9	0	0	0	112.1	L327 L428 V429 A439 M503 Y504 Y507	L327-L432 HydrophobicContact CD2-CB 4.41Å; L428-L432 PolarHBondContact O-N 3.46Å; V429-L432 WeakPolarHBondContact O-CB 3.49Å; V429-L432 PolarHBondContact O-N 3.33Å; L432-A439 HydrophobicContact CB-CB 4.24Å; L432-A439 HydrophobicContact CD2-CB 3.55Å; L432-A439 HydrophobicContact CG-CB 3.7Å; L432-M503 HydrophobicContact CD1-CE 4.37Å; L432-Y504 HydrophobicContact CD2-CD2 4.44Å; L432-Y504 HydrophobicContact CD2-CE2 4.27Å; L432-Y507 HydrophobicContact CB-CD2 4.02Å; L432-Y507 HydrophobicContact CB-CE2 4.33Å; L432-Y507 HydrophobicContact CD1-CD2 4.49Å; L432-Y507 HydrophobicContact CD1-CG 4.31Å; L432-Y507 HydrophobicContact CD2-CD1 4.26Å; L432-Y507 HydrophobicContact CD2-CD2 4.26Å; L432-Y507 HydrophobicContact CD2-CG 4.15Å; L432-Y507 HydrophobicContact CG-CD2 4.5Å
433	L	90	Very high	94.7	Very high	43 Å²	43	56.2 Å²	56.2	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-43.1	175.6	-173.9	68.1	0	0	0	112.6	L327 A330 R331 C334 L339 V429 L430 L431	L327-L433 HydrophobicContact CD2-CB 3.93Å; L327-L433 HydrophobicContact CD2-CD1 4.31Å; A330-L433 HydrophobicContact CB-CD2 3.72Å; R331-L433 HydrophobicContact CB-CD1 3.97Å; R331-L433 HydrophobicContact CG-CD1 4.41Å; C334-L433 HydrophobicContact CB-CD2 4.17Å; L339-L433 HydrophobicContact CD1-CD2 4.42Å; V429-L433 PolarHBondContact O-N 3.27Å; L430-L433 WeakPolarHBondContact O-CB 3.33Å; L430-L433 PolarHBondContact O-N 3.28Å; L431-L433 PolarHBondContact O-N 3.41Å
434	K	89.7	Confident	94.7	Very high	142 Å²	142	55.7 Å²	55.7	62%	0.617	30%	0.297	S	S	*	.	H	α-helix	trans	-86	-41.8	-172.3	-68.3	-173	176.4	-173.6	0	113.8	L430 L431	L430-K434 PolarHBondContact O-N 3.43Å; L431-K434 PolarHBondContact O-N 3.09Å
435	K	92.8	Very high	94.8	Very high	134 Å²	134	55 Å²	55	58%	0.583	29%	0.293	S	S	*	.			trans	-140.8	73.4	-173.8	-67.4	-170.5	177.5	-178	0	109.8	L431 K437 V438 A439	L431-K435 HydrophobicContact CD1-CB 4.14Å; L431-K435 CarbonylContact O-C 3.43Å; L431-K435 VanDerWaalsContact O-C 3.32Å; L431-K435 PolarHBondContact O-N 2.74Å; K435-K437 VanDerWaalsContact C-N 3.34Å; K435-K437 PolarHBondContact O-N 2.93Å; K435-V438 HydrophobicContact CB-CB 4.21Å; K435-V438 HydrophobicContact CB-CG2 4.3Å; K435-V438 PolarHBondContact O-N 3.39Å; K435-A439 PolarHBondContact O-N 3.22Å
436	P	93.8	Very high	94.9	Very high	44 Å²	44	57.1 Å²	57.1	29%	0.286	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-41.2	-172	21.2	-33.2	0	0	0	113	V438 A439 S440 Y507	P436-V438 PolarHBondContact O-N 2.9Å; P436-A439 PolarHBondContact O-N 2.97Å; P436-S440 WeakPolarHBondContact O-CB 3.46Å; P436-S440 PolarHBondContact O-N 3.05Å; P436-S440 PolarHBondContact O-OG 3.24Å; P436-Y507 WeakPolarHBondContact CB-OH 3.43Å
437	K	95.4	Very high	94.9	Very high	179 Å²	179	58.8 Å²	58.8	78%	0.778	31%	0.313	S	S	*	.	H	α-helix	trans	-59.5	-45.4	178.9	-63.7	-174.4	-179.6	-178.3	0	112.8	K435 L441	K435-K437 VanDerWaalsContact C-N 3.34Å; K435-K437 PolarHBondContact O-N 2.93Å; K437-L441 PolarHBondContact O-N 3.49Å
438	V	96.1	Very high	95.1	Very high	81 Å²	81	59.2 Å²	59.2	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-68.1	-43.2	179.2	-179.9	0	0	0	0	110.4	L431 K435 P436 L441 A442	L431-V438 HydrophobicContact CD2-CG1 4.31Å; K435-V438 HydrophobicContact CB-CB 4.21Å; K435-V438 HydrophobicContact CB-CG2 4.3Å; K435-V438 PolarHBondContact O-N 3.39Å; P436-V438 PolarHBondContact O-N 2.9Å; V438-L441 PolarHBondContact O-N 2.7Å; V438-A442 WeakPolarHBondContact O-CB 3.48Å; V438-A442 PolarHBondContact O-N 2.92Å
439	A	95.9	Very high	95.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-38.1	178	0	0	0	0	0	113	L428 L431 L432 K435 P436 A442 T443	L428-A439 HydrophobicContact CD1-CB 4.27Å; L431-A439 HydrophobicContact CB-CB 4.04Å; L431-A439 HydrophobicContact CD2-CB 4.06Å; L431-A439 HydrophobicContact CG-CB 3.85Å; L432-A439 HydrophobicContact CB-CB 4.24Å; L432-A439 HydrophobicContact CD2-CB 3.55Å; L432-A439 HydrophobicContact CG-CB 3.7Å; K435-A439 PolarHBondContact O-N 3.22Å; P436-A439 PolarHBondContact O-N 2.97Å; A439-A442 PolarHBondContact O-N 3.34Å; A439-T443 WeakPolarHBondContact O-CB 3.36Å; A439-T443 PolarHBondContact O-N 2.65Å; A439-T443 PolarHBondContact O-OG1 2.83Å
440	S	96.8	Very high	95.2	Very high	27 Å²	27	61.1 Å²	61.1	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-44.2	173.8	-68.4	0	0	0	0	111.3	P436 T443 A444 Y504	P436-S440 WeakPolarHBondContact O-CB 3.46Å; P436-S440 PolarHBondContact O-N 3.05Å; P436-S440 PolarHBondContact O-OG 3.24Å; S440-T443 PolarHBondContact O-N 2.75Å; S440-A444 PolarHBondContact O-N 2.9Å; S440-Y504 WeakPolarHBondContact OG-CE2 3.47Å; S440-Y504 PolarHBondContact OG-OH 3.35Å
441	L	97.5	Very high	95.4	Very high	112 Å²	112	60.3 Å²	60.3	59%	0.586	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-46.5	174.9	179.4	61.3	0	0	0	111.4	K437 V438 T443 A444 I445	K437-L441 PolarHBondContact O-N 3.49Å; V438-L441 PolarHBondContact O-N 2.7Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-T443 PolarHBondContact O-N 3.48Å; L441-A444 PolarHBondContact O-N 2.92Å; L441-I445 HydrophobicContact CD1-CD1 4.3Å; L441-I445 HydrophobicContact CD1-CG1 4.5Å; L441-I445 HydrophobicContact CG-CD1 4.09Å; L441-I445 WeakPolarHBondContact O-CG1 3.21Å; L441-I445 PolarHBondContact O-N 2.49Å
442	A	97.2	Very high	95.6	Very high	30 Å²	30	62 Å²	62	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-42.6	175.6	0	0	0	0	0	111.7	L428 V438 A439 A444 I445 L446	L428-A442 HydrophobicContact CD1-CB 4.09Å; V438-A442 WeakPolarHBondContact O-CB 3.48Å; V438-A442 PolarHBondContact O-N 2.92Å; A439-A442 PolarHBondContact O-N 3.34Å; A442-A444 VanDerWaalsContact C-N 3.34Å; A442-A444 PolarHBondContact O-N 2.83Å; A442-I445 PolarHBondContact O-N 3.33Å; A442-L446 VanDerWaalsContact O-CG 3.27Å; A442-L446 WeakPolarHBondContact O-CG 3.37Å; A442-L446 PolarHBondContact O-N 3.2Å
443	T	96.9	Very high	95.6	Very high	8 Å²	8	65.2 Å²	65.2	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-42	176.6	-57.2	0	0	0	0	111.5	A439 S440 L441 L446 L447 L500 M503 Y504	A439-T443 WeakPolarHBondContact O-CB 3.36Å; A439-T443 PolarHBondContact O-N 2.65Å; A439-T443 PolarHBondContact O-OG1 2.83Å; S440-T443 PolarHBondContact O-N 2.75Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-T443 PolarHBondContact O-N 3.48Å; T443-L446 PolarHBondContact O-N 3.34Å; T443-L447 WeakPolarHBondContact O-CB 3.41Å; T443-L447 PolarHBondContact O-N 3.36Å; T443-L500 HydrophobicContact CG2-CD2 4.37Å; T443-M503 HydrophobicContact CG2-CE 3.95Å; T443-Y504 HydrophobicContact CG2-CD2 3.95Å; T443-Y504 HydrophobicContact CG2-CG 4.32Å
444	A	97	Very high	95.8	Very high	51 Å²	51	63.8 Å²	63.8	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-43.6	176.4	0	0	0	0	0	112	S440 L441 A442 L447 V448	S440-A444 PolarHBondContact O-N 2.9Å; L441-A444 PolarHBondContact O-N 2.92Å; A442-A444 VanDerWaalsContact C-N 3.34Å; A442-A444 PolarHBondContact O-N 2.83Å; A444-L447 WeakPolarHBondContact O-CB 3.33Å; A444-L447 PolarHBondContact O-N 2.66Å; A444-V448 WeakPolarHBondContact O-CG2 3.26Å; A444-V448 PolarHBondContact O-N 2.85Å
445	I	97.6	Very high	96.1	Very high	94 Å²	94	57.9 Å²	57.9	48%	0.482	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-49.5	175.7	-66.9	166.3	0	0	0	110.3	L441 A442 L447 V448 C449	L441-I445 HydrophobicContact CD1-CD1 4.3Å; L441-I445 HydrophobicContact CD1-CG1 4.5Å; L441-I445 HydrophobicContact CG-CD1 4.09Å; L441-I445 WeakPolarHBondContact O-CG1 3.21Å; L441-I445 PolarHBondContact O-N 2.49Å; A442-I445 PolarHBondContact O-N 3.33Å; I445-L447 VanDerWaalsContact C-N 3.26Å; I445-L447 PolarHBondContact O-N 3.41Å; I445-V448 PolarHBondContact O-N 3.19Å; I445-C449 PolarHBondContact O-N 3.24Å; I445-C449 PolarHBondContact O-SG 3.34Å
446	L	97.1	Very high	96.2	Very high	47 Å²	47	53.2 Å²	53.2	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-34.6	179.1	-67.4	178.7	0	0	0	112.4	L428 A442 T443 C449 S450 W496 L500	L428-L446 HydrophobicContact CD2-CD1 3.88Å; A442-L446 VanDerWaalsContact O-CG 3.27Å; A442-L446 WeakPolarHBondContact O-CG 3.37Å; A442-L446 PolarHBondContact O-N 3.2Å; T443-L446 PolarHBondContact O-N 3.34Å; L446-C449 PolarHBondContact O-N 2.86Å; L446-S450 WeakPolarHBondContact O-CB 3.26Å; L446-S450 PolarHBondContact O-N 3Å; L446-W496 HydrophobicContact CB-CZ2 4.24Å; L446-W496 HydrophobicContact CD1-CZ2 4.24Å; L446-W496 HydrophobicContact CD2-CH2 3.78Å; L446-W496 HydrophobicContact CD2-CZ2 3.6Å; L446-W496 HydrophobicContact CG-CZ2 4.23Å; L446-L500 HydrophobicContact CB-CD1 3.74Å; L446-L500 HydrophobicContact CB-CD2 4.44Å; L446-L500 HydrophobicContact CD1-CD2 4.47Å
447	L	96.7	Very high	96.2	Very high	45 Å²	45	53.3 Å²	53.3	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-47.6	175.4	-169.3	67.5	0	0	0	110.9	T443 A444 I445 S450 C451 L500 V501 V562	T443-L447 WeakPolarHBondContact O-CB 3.41Å; T443-L447 PolarHBondContact O-N 3.36Å; A444-L447 WeakPolarHBondContact O-CB 3.33Å; A444-L447 PolarHBondContact O-N 2.66Å; I445-L447 VanDerWaalsContact C-N 3.26Å; I445-L447 PolarHBondContact O-N 3.41Å; L447-S450 PolarHBondContact O-N 3.01Å; L447-S450 PolarHBondContact O-OG 3.18Å; L447-C451 PolarHBondContact O-N 3.44Å; L447-C451 PolarHBondContact O-SG 2.99Å; L447-C451 VanDerWaalsContact O-SG 3.36Å; L447-L500 HydrophobicContact CD1-CB 4.23Å; L447-L500 HydrophobicContact CD1-CD1 4.47Å; L447-V501 HydrophobicContact CD1-CG2 3.94Å; L447-V562 HydrophobicContact CD1-CB 4.31Å; L447-V562 HydrophobicContact CD1-CG1 3.88Å; L447-V562 HydrophobicContact CD1-CG2 3.5Å; L447-V562 HydrophobicContact CD2-CG1 3.98Å; L447-V562 HydrophobicContact CG-CG1 4.14Å; L447-V562 HydrophobicContact CG-CG2 4.14Å
448	V	97.1	Very high	96	Very high	91 Å²	91	45 Å²	45	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-45.1	175.3	174.9	0	0	0	0	110.7	A444 I445 S450 C451 V452	A444-V448 WeakPolarHBondContact O-CG2 3.26Å; A444-V448 PolarHBondContact O-N 2.85Å; I445-V448 PolarHBondContact O-N 3.19Å; V448-S450 VanDerWaalsContact C-N 3.28Å; V448-S450 PolarHBondContact O-N 2.74Å; V448-C451 PolarHBondContact O-N 2.85Å; V448-V452 HydrophobicContact CG1-CG2 4.22Å; V448-V452 WeakPolarHBondContact O-CG2 3.36Å; V448-V452 PolarHBondContact O-N 3.48Å
449	C	96.9	Very high	95.9	Very high	51 Å²	51	49 Å²	49	35%	0.345	29%	0.287	S	S	.	.	H	α-helix	trans	-57.6	-40.9	175.2	-68	0	0	0	0	111.9	I445 L446 C451 V452 V453	I445-C449 PolarHBondContact O-N 3.24Å; I445-C449 PolarHBondContact O-SG 3.34Å; L446-C449 PolarHBondContact O-N 2.86Å; C449-C451 VanDerWaalsContact C-N 3.32Å; C449-C451 PolarHBondContact O-N 3.43Å; C449-V452 PolarHBondContact O-N 3.14Å; C449-V453 WeakPolarHBondContact O-CB 3.26Å; C449-V453 VanDerWaalsContact O-CG2 3.24Å; C449-V453 WeakPolarHBondContact O-CG2 3.12Å; C449-V453 PolarHBondContact O-N 3.4Å
450	S	95.9	Very high	95.7	Very high	8 Å²	8	52.6 Å²	52.6	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-39.8	178.9	76.8	0	0	0	0	112.5	L446 L447 V448 K454 G497	L446-S450 WeakPolarHBondContact O-CB 3.26Å; L446-S450 PolarHBondContact O-N 3Å; L447-S450 PolarHBondContact O-N 3.01Å; L447-S450 PolarHBondContact O-OG 3.18Å; V448-S450 VanDerWaalsContact C-N 3.28Å; V448-S450 PolarHBondContact O-N 2.74Å; S450-K454 WeakPolarHBondContact O-CB 3.24Å; S450-K454 PolarHBondContact O-N 3Å; S450-G497 WeakPolarHBondContact OG-CA 3.35Å
451	C	96.3	Very high	95.4	Very high	18 Å²	18	57.1 Å²	57.1	12%	0.122	33%	0.33	C	S	.	.	H	α-helix	trans	-67.5	-48.4	176.1	-58.4	0	0	0	0	111.3	L447 V448 C449 A455 G558 L559 V562	L447-C451 PolarHBondContact O-N 3.44Å; L447-C451 PolarHBondContact O-SG 2.99Å; L447-C451 VanDerWaalsContact O-SG 3.36Å; V448-C451 PolarHBondContact O-N 2.85Å; C449-C451 VanDerWaalsContact C-N 3.32Å; C449-C451 PolarHBondContact O-N 3.43Å; C451-A455 WeakPolarHBondContact O-CB 3.39Å; C451-A455 PolarHBondContact O-N 2.88Å; C451-G558 PolarHBondContact SG-O 3.02Å; C451-L559 HydrophobicContact CB-CD2 4.35Å; C451-V562 VanDerWaalsContact SG-CG2 3.59Å
452	V	96.3	Very high	95	Very high	95 Å²	95	55.6 Å²	55.6	58%	0.576	32%	0.322	S	S	*	.	H	α-helix	trans	-67	-45.6	-175.5	173.7	0	0	0	0	111.6	V448 C449 K454 A455 G456	V448-V452 HydrophobicContact CG1-CG2 4.22Å; V448-V452 WeakPolarHBondContact O-CG2 3.36Å; V448-V452 PolarHBondContact O-N 3.48Å; C449-V452 PolarHBondContact O-N 3.14Å; V452-K454 PolarHBondContact O-N 3.36Å; V452-A455 PolarHBondContact O-N 2.89Å; V452-G456 PolarHBondContact O-N 2.87Å
453	V	95.3	Very high	94.6	Very high	70 Å²	70	54.6 Å²	54.6	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-45	179.9	170.1	0	0	0	0	110.5	C449 G456 I457	C449-V453 WeakPolarHBondContact O-CB 3.26Å; C449-V453 VanDerWaalsContact O-CG2 3.24Å; C449-V453 WeakPolarHBondContact O-CG2 3.12Å; C449-V453 PolarHBondContact O-N 3.4Å; V453-G456 PolarHBondContact O-N 3Å; V453-I457 HydrophobicContact CG1-CD1 3.89Å; V453-I457 WeakPolarHBondContact O-CG1 3.08Å; V453-I457 PolarHBondContact O-N 2.81Å
454	K	94.1	Very high	94.3	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-44.5	-179.3	-163.6	179.6	174.1	178.3	0	111.8	S450 V452 A458 V488 G494 V557 P561	S450-K454 WeakPolarHBondContact O-CB 3.24Å; S450-K454 PolarHBondContact O-N 3Å; V452-K454 PolarHBondContact O-N 3.36Å; K454-A458 PolarHBondContact O-N 3.02Å; K454-A458 VanDerWaalsContact O-N 3.1Å; K454-V488 HydrophobicContact CG-CG1 4.01Å; K454-G494 PolarHBondContact NZ-O 3.26Å; K454-V557 HydrophobicContact CB-CG1 4.43Å; K454-V557 HydrophobicContact CD-CG1 4.18Å; K454-V557 WeakPolarHBondContact CD-O 3.03Å; K454-V557 HydrophobicContact CG-CG1 3.74Å; K454-P561 HydrophobicContact CD-CG 4.31Å; K454-P561 VanDerWaalsContact NZ-CG 3.31Å
455	A	95.2	Very high	94	Very high	18 Å²	18	52 Å²	52	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-40.9	174.5	0	0	0	0	0	111.9	C451 V452 A458 Y459 L554	C451-A455 WeakPolarHBondContact O-CB 3.39Å; C451-A455 PolarHBondContact O-N 2.88Å; V452-A455 PolarHBondContact O-N 2.89Å; A455-A458 PolarHBondContact O-N 2.79Å; A455-Y459 WeakPolarHBondContact O-CB 3.06Å; A455-Y459 PolarHBondContact O-N 3.42Å; A455-L554 WeakPolarHBondContact O-CD2 3.18Å
456	G	95.3	Very high	93.6	Very high	37 Å²	37	47.7 Å²	47.7	38%	0.381	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-42.3	178.4	0	0	0	0	0	113.1	V452 V453 Y459 A460	V452-G456 PolarHBondContact O-N 2.87Å; V453-G456 PolarHBondContact O-N 3Å; G456-Y459 PolarHBondContact O-N 3.29Å; G456-A460 VanDerWaalsContact O-CB 3.31Å; G456-A460 WeakPolarHBondContact O-CB 3.43Å; G456-A460 PolarHBondContact O-N 3.25Å
457	I	93.2	Very high	93.1	Very high	46 Å²	46	45.9 Å²	45.9	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-44.6	174.9	-65.5	165.8	0	0	0	110.6	V453 Y459 A460 R461 Y463 V488 Y493	V453-I457 HydrophobicContact CG1-CD1 3.89Å; V453-I457 WeakPolarHBondContact O-CG1 3.08Å; V453-I457 PolarHBondContact O-N 2.81Å; I457-Y459 VanDerWaalsContact C-N 3.31Å; I457-Y459 PolarHBondContact O-N 3.42Å; I457-A460 PolarHBondContact O-N 3.2Å; I457-R461 PolarHBondContact O-N 3.44Å; I457-Y463 HydrophobicContact CG2-CD2 4.48Å; I457-Y463 HydrophobicContact CG2-CE2 4.28Å; I457-V488 HydrophobicContact CG2-CG2 3.67Å; I457-Y493 HydrophobicContact CD1-CD2 4.38Å; I457-Y493 HydrophobicContact CD1-CE2 3.88Å
458	A	91.8	Very high	92.4	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-39.9	178.5	0	0	0	0	0	112.2	K454 A455 N462 Y463 V557	K454-A458 PolarHBondContact O-N 3.02Å; K454-A458 VanDerWaalsContact O-N 3.1Å; A455-A458 PolarHBondContact O-N 2.79Å; A458-N462 CarbonylContact O-C 3.35Å; A458-N462 WeakPolarHBondContact O-CA 3.04Å; A458-N462 PolarHBondContact O-N 3.17Å; A458-N462 VanDerWaalsContact O-N 3.08Å; A458-Y463 PolarHBondContact O-N 2.93Å; A458-V557 HydrophobicContact CB-CB 4.45Å; A458-V557 HydrophobicContact CB-CG1 3.82Å; A458-V557 HydrophobicContact CB-CG2 4.17Å
459	Y	93.7	Very high	91.7	Very high	164 Å²	164	42.2 Å²	42.2	64%	0.643	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-50.6	173.5	-174.7	-108.8	0	0	0	112.1	A455 G456 I457 R461 N462 T550 L554	A455-Y459 WeakPolarHBondContact O-CB 3.06Å; A455-Y459 PolarHBondContact O-N 3.42Å; G456-Y459 PolarHBondContact O-N 3.29Å; I457-Y459 VanDerWaalsContact C-N 3.31Å; I457-Y459 PolarHBondContact O-N 3.42Å; Y459-R461 VanDerWaalsContact C-N 3.26Å; Y459-R461 PolarHBondContact O-N 3.08Å; Y459-N462 PolarHBondContact O-N 3.21Å; Y459-T550 HydrophobicContact CD2-CG2 4.36Å; Y459-T550 HydrophobicContact CE2-CG2 4.28Å; Y459-L554 HydrophobicContact CD2-CD1 4.03Å; Y459-L554 HydrophobicContact CD2-CD2 4.32Å; Y459-L554 HydrophobicContact CG-CD2 4.5Å
460	A	92.8	Very high	91.1	Very high	76 Å²	76	40 Å²	40	63%	0.628	22%	0.222	S	C	*	.	H	α-helix	trans	-64.4	-28.9	-175.3	0	0	0	0	0	113.7	G456 I457	G456-A460 VanDerWaalsContact O-CB 3.31Å; G456-A460 WeakPolarHBondContact O-CB 3.43Å; G456-A460 PolarHBondContact O-N 3.25Å; I457-A460 PolarHBondContact O-N 3.2Å
461	R	88.7	Confident	90.7	Very high	123 Å²	123	40.1 Å²	40.1	46%	0.464	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	6.1	-179.1	-63.4	-63.7	-173.2	-149.7	3.4	114	I457 Y459 Y463 N478	I457-R461 PolarHBondContact O-N 3.44Å; Y459-R461 VanDerWaalsContact C-N 3.26Å; Y459-R461 PolarHBondContact O-N 3.08Å; R461-Y463 VanDerWaalsContact C-N 3.26Å; R461-Y463 HydrophobicContact CB-CD1 4.26Å; R461-Y463 HydrophobicContact CB-CD2 3.66Å; R461-Y463 HydrophobicContact CB-CE1 4.01Å; R461-Y463 HydrophobicContact CB-CE2 3.36Å; R461-Y463 HydrophobicContact CB-CG 4.09Å; R461-Y463 HydrophobicContact CG-CD2 4.46Å; R461-Y463 HydrophobicContact CG-CE2 3.8Å; R461-Y463 PolarHBondContact O-N 3.11Å; R461-N478 WeakPolarHBondContact O-CB 3.42Å; R461-N478 PolarHBondContact O-ND2 3.02Å
462	N	89.6	Confident	89.8	Confident	79 Å²	79	40.8 Å²	40.8	42%	0.422	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	43	-175.1	-166.7	33.7	0	0	0	113.1	A458 Y459 G476 N478	A458-N462 CarbonylContact O-C 3.35Å; A458-N462 WeakPolarHBondContact O-CA 3.04Å; A458-N462 PolarHBondContact O-N 3.17Å; A458-N462 VanDerWaalsContact O-N 3.08Å; Y459-N462 PolarHBondContact O-N 3.21Å; N462-G476 PolarHBondContact ND2-O 3.34Å; N462-G476 VanDerWaalsContact ND2-O 3.11Å; N462-N478 WeakPolarHBondContact O-CB 3.38Å; N462-N478 PolarHBondContact O-N 2.71Å
463	Y	90.1	Very high	89.1	Confident	9 Å²	9	36.8 Å²	36.8	4%	0.035	20%	0.202	C	C	.	.			trans	-79.1	148.1	179.4	-69.7	-41.3	0	0	0	112.2	I457 A458 R461 N478 N483 Y484 D487 V488	I457-Y463 HydrophobicContact CG2-CD2 4.48Å; I457-Y463 HydrophobicContact CG2-CE2 4.28Å; A458-Y463 PolarHBondContact O-N 2.93Å; R461-Y463 VanDerWaalsContact C-N 3.26Å; R461-Y463 HydrophobicContact CB-CD1 4.26Å; R461-Y463 HydrophobicContact CB-CD2 3.66Å; R461-Y463 HydrophobicContact CB-CE1 4.01Å; R461-Y463 HydrophobicContact CB-CE2 3.36Å; R461-Y463 HydrophobicContact CB-CG 4.09Å; R461-Y463 HydrophobicContact CG-CD2 4.46Å; R461-Y463 HydrophobicContact CG-CE2 3.8Å; R461-Y463 PolarHBondContact O-N 3.11Å; Y463-N478 HydrophobicContact CD1-CB 4.16Å; Y463-N478 HydrophobicContact CE1-CB 4.42Å; Y463-N483 HydrophobicContact CE1-CB 4.49Å; Y463-Y484 HydrophobicContact CD1-CD1 4.32Å; Y463-Y484 AromaticContact CD1-CG 3.98Å; Y463-Y484 HydrophobicContact CD1-CG 3.98Å; Y463-Y484 AromaticContact CD2-CD2 3.92Å; Y463-Y484 HydrophobicContact CD2-CD2 3.92Å; Y463-Y484 HydrophobicContact CD2-CG 4.05Å; Y463-Y484 HydrophobicContact CE1-CG 4.49Å; Y463-Y484 HydrophobicContact CE2-CD2 4.38Å; Y463-Y484 HydrophobicContact CG-CD1 4.06Å; Y463-Y484 HydrophobicContact CG-CD2 4.09Å; Y463-Y484 AromaticContact CG-CG 3.76Å; Y463-Y484 HydrophobicContact CG-CG 3.76Å; Y463-D487 PolarHBondContact OH-OD2 2.97Å; Y463-V488 HydrophobicContact CD2-CG2 4.34Å; Y463-V488 HydrophobicContact CE2-CG2 4.22Å
464	P	89.2	Confident	88.1	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.019	20%	0.196	C	C	.	.			trans	-65.6	160.3	175.4	28.1	-34.8	0	0	0	111.8	S466 I473 Y477 Y484	P464-S466 VanDerWaalsContact C-N 3.27Å; P464-S466 PolarHBondContact O-N 2.82Å; P464-I473 HydrophobicContact CB-CB 3.98Å; P464-I473 HydrophobicContact CB-CG2 4.36Å; P464-Y477 HydrophobicContact CB-CD1 4.21Å; P464-Y477 HydrophobicContact CB-CD2 4.19Å; P464-Y477 HydrophobicContact CB-CG 3.94Å; P464-Y484 HydrophobicContact CG-CD1 3.89Å; P464-Y484 HydrophobicContact CG-CE1 4.05Å; P464-Y484 WeakPolarHBondContact O-CE1 3Å
465	P	90.1	Very high	87.2	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.019	23%	0.225	C	C	.	.	S	Bend	trans	-67.1	-22.9	-174.7	23.7	-35.6	0	0	0	115.5	I473 I540 T543 D553 Y556 V557	P465-I473 HydrophobicContact CG-CD1 4.05Å; P465-I540 HydrophobicContact CB-CD1 3.77Å; P465-I540 HydrophobicContact CG-CD1 3.37Å; P465-I540 HydrophobicContact CG-CG1 4.47Å; P465-T543 HydrophobicContact CG-CG2 3.94Å; P465-D553 HydrophobicContact CB-CB 4.1Å; P465-D553 HydrophobicContact CG-CB 4.37Å; P465-Y556 HydrophobicContact CB-CD1 3.84Å; P465-Y556 HydrophobicContact CB-CG 4.44Å; P465-Y556 WeakPolarHBondContact O-CD1 3.33Å; P465-V557 HydrophobicContact CB-CG2 4.01Å; P465-V557 VanDerWaalsContact O-CG2 3.23Å; P465-V557 WeakPolarHBondContact O-CG2 3.36Å
466	S	90	Very high	86.3	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	24%	0.24	C	C	.	.	S	Bend	trans	-139.6	148.9	175.8	-164.8	0	0	0	0	110.3	N306 T308 P464 M468	N306-S466 PolarHBondContact OD1-OG 2.89Å; T308-S466 PolarHBondContact OG1-OG 3.35Å; P464-S466 VanDerWaalsContact C-N 3.27Å; P464-S466 PolarHBondContact O-N 2.82Å; S466-M468 PolarHBondContact O-N 3Å
467	V	86.1	Confident	85.7	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.055	23%	0.226	C	C	.	.			trans	-85.9	106.6	170.4	-179	0	0	0	0	108.5	T308 L469 I481 Y484 Y489	T308-V467 PolarHBondContact OG1-O 2.84Å; V467-L469 HydrophobicContact CG1-CD2 4.26Å; V467-L469 HydrophobicContact CG1-CG 4.49Å; V467-I481 HydrophobicContact CG1-CG2 4.19Å; V467-Y484 HydrophobicContact CB-CE1 4.47Å; V467-Y484 HydrophobicContact CG2-CD1 3.38Å; V467-Y484 HydrophobicContact CG2-CD2 3.92Å; V467-Y484 HydrophobicContact CG2-CE1 3.3Å; V467-Y484 HydrophobicContact CG2-CE2 3.82Å; V467-Y484 HydrophobicContact CG2-CG 3.67Å; V467-Y489 HydrophobicContact CB-CD2 4.02Å; V467-Y489 HydrophobicContact CG2-CD2 4.06Å; V467-Y489 HydrophobicContact CG2-CG 4.37Å
468	M	83.5	Confident	84.9	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.02	22%	0.224	C	C	.	.			trans	-122.6	106.2	178.9	-64.5	-173.6	-68.8	0	0	109.2	Y305 N306 S466 V471 P472 I473 I540 V544	Y305-M468 HydrophobicContact CD2-CG 4.4Å; Y305-M468 HydrophobicContact CD2-SD 3.62Å; Y305-M468 HydrophobicContact CE2-SD 3.59Å; Y305-M468 VanDerWaalsContact CE2-SD 3.59Å; N306-M468 HydrophobicContact CB-SD 4.09Å; S466-M468 PolarHBondContact O-N 3Å; M468-V471 WeakPolarHBondContact CB-O 3.33Å; M468-P472 WeakPolarHBondContact O-CA 3.06Å; M468-I473 HydrophobicContact CE-CD1 3.23Å; M468-I473 HydrophobicContact CE-CG1 3.45Å; M468-I473 VanDerWaalsContact CE-CG1 3.45Å; M468-I540 HydrophobicContact CE-CG1 4.13Å; M468-I540 HydrophobicContact CE-CG2 4.4Å; M468-I540 HydrophobicContact SD-CG2 4.27Å; M468-V544 HydrophobicContact CE-CG2 3.55Å; M468-V544 HydrophobicContact SD-CG2 4.48Å
469	L	81.4	Confident	83.8	Confident	55 Å²	55	42.6 Å²	42.6	29%	0.288	23%	0.233	S	C	.	.	S	Bend	trans	-80.7	-19.4	-174.2	-63.4	176.4	0	0	0	113.8	T95 Q282 V467 I481	T95-L469 HydrophobicContact CG2-CD2 4.27Å; Q282-L469 PolarHBondContact NE2-O 2.79Å; V467-L469 HydrophobicContact CG1-CD2 4.26Å; V467-L469 HydrophobicContact CG1-CG 4.49Å; L469-I481 HydrophobicContact CD2-CG2 4.09Å
470	L	85.1	Confident	82.8	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	21%	0.213	C	C	.	.	S	Bend	trans	-91	-54	177.6	-177.9	69.2	0	0	0	111.1	V278 Q282 L291 R292 Y295 P472	V278-L470 HydrophobicContact CG1-CD1 4.09Å; V278-L470 HydrophobicContact CG1-CD2 3.5Å; V278-L470 VanDerWaalsContact CG1-CD2 3.5Å; V278-L470 HydrophobicContact CG1-CG 4.42Å; Q282-L470 HydrophobicContact CG-CD1 3.93Å; L291-L470 HydrophobicContact CD2-CD1 4.21Å; L291-L470 HydrophobicContact CG-CD1 4.17Å; R292-L470 HydrophobicContact CG-CD1 4.48Å; R292-L470 WeakPolarHBondContact CG-O 3.32Å; Y295-L470 HydrophobicContact CD1-CD2 3.78Å; Y295-L470 HydrophobicContact CD2-CD2 3.92Å; Y295-L470 HydrophobicContact CE1-CD2 4.44Å; Y295-L470 HydrophobicContact CG-CD2 3.51Å; L470-P472 VanDerWaalsContact O-CD 3.29Å; L470-P472 WeakPolarHBondContact O-CD 3.36Å
471	V	86.1	Confident	82	Confident	10 Å²	10	33.5 Å²	33.5	6%	0.061	18%	0.184	C	C	.	.	S	Bend	trans	-113.1	86.5	178.2	-173.1	0	0	0	0	107.9	Y305 M468 V544	Y305-V471 HydrophobicContact CD1-CG2 4.14Å; Y305-V471 HydrophobicContact CD2-CB 4.04Å; Y305-V471 HydrophobicContact CD2-CG2 4.25Å; Y305-V471 HydrophobicContact CE1-CG2 4.41Å; Y305-V471 HydrophobicContact CE2-CB 4.19Å; Y305-V471 HydrophobicContact CG-CB 4.34Å; Y305-V471 HydrophobicContact CG-CG2 4.04Å; M468-V471 WeakPolarHBondContact CB-O 3.33Å; V471-V544 HydrophobicContact CG1-CG1 3.6Å
472	P	78.5	Confident	81.4	Confident	31 Å²	31	28.5 Å²	28.5	20%	0.201	17%	0.17	C	C	.	.			trans	-72.9	142.4	-174.8	35	-41.5	0	0	0	111.2	L96 M468 L470 V474 I481	L96-P472 HydrophobicContact CD1-CB 3.91Å; L96-P472 HydrophobicContact CD1-CG 3.47Å; L96-P472 VanDerWaalsContact CD1-CG 3.47Å; L96-P472 HydrophobicContact CD2-CB 4.17Å; L96-P472 HydrophobicContact CD2-CG 3.57Å; L96-P472 HydrophobicContact CG-CB 4.42Å; L96-P472 HydrophobicContact CG-CG 4.05Å; M468-P472 WeakPolarHBondContact O-CA 3.06Å; L470-P472 VanDerWaalsContact O-CD 3.29Å; L470-P472 WeakPolarHBondContact O-CD 3.36Å; P472-V474 HydrophobicContact CB-CG2 3.72Å; P472-V474 HydrophobicContact CG-CG2 3.89Å; P472-V474 PolarHBondContact O-N 2.87Å; P472-I481 HydrophobicContact CB-CD1 3.52Å
473	I	81.2	Confident	81	Confident	11 Å²	11	28 Å²	28	6%	0.056	17%	0.167	C	C	.	.			trans	-93.4	94.9	168.2	-55.3	170.4	0	0	0	107.1	P464 P465 M468 Y477 I540 T543 V544	P464-I473 HydrophobicContact CB-CB 3.98Å; P464-I473 HydrophobicContact CB-CG2 4.36Å; P465-I473 HydrophobicContact CG-CD1 4.05Å; M468-I473 HydrophobicContact CE-CD1 3.23Å; M468-I473 HydrophobicContact CE-CG1 3.45Å; M468-I473 VanDerWaalsContact CE-CG1 3.45Å; I473-Y477 HydrophobicContact CG2-CD2 3.59Å; I473-Y477 HydrophobicContact CG2-CE2 3.53Å; I473-I540 HydrophobicContact CD1-CD1 4.32Å; I473-I540 HydrophobicContact CD1-CG1 3.99Å; I473-T543 HydrophobicContact CD1-CG2 4.05Å; I473-T543 HydrophobicContact CG2-CG2 4.26Å; I473-V544 HydrophobicContact CD1-CG2 4.22Å; I473-V544 HydrophobicContact CG1-CG2 4.07Å
474	V	73.8	Confident	80.8	Confident	51 Å²	51	27.9 Å²	27.9	31%	0.309	17%	0.166	S	C	.	.			trans	-99.7	-32.5	-176.1	-170.4	0	0	0	0	111.9	L96 P472 G476 Y477 P479	L96-V474 HydrophobicContact CD1-CG2 4.25Å; P472-V474 HydrophobicContact CB-CG2 3.72Å; P472-V474 HydrophobicContact CG-CG2 3.89Å; P472-V474 PolarHBondContact O-N 2.87Å; V474-G476 PolarHBondContact O-N 2.96Å; V474-Y477 PolarHBondContact O-N 2.91Å; V474-P479 HydrophobicContact CG1-CB 4.03Å
475	D	75.7	Confident	80.7	Confident	123 Å²	123	28.3 Å²	28.3	66%	0.658	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	104	-169	-66.1	-28.9	0	0	0	113.4	Y477	D475-Y477 VanDerWaalsContact C-N 3.25Å; D475-Y477 WeakPolarHBondContact O-CD2 3.5Å; D475-Y477 PolarHBondContact O-N 2.81Å
476	G	75.7	Confident	80.5	Confident	45 Å²	45	30.4 Å²	30.4	46%	0.464	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.8	179.4	0	0	0	0	0	115.4	N462 V474 R548	N462-G476 PolarHBondContact ND2-O 3.34Å; N462-G476 VanDerWaalsContact ND2-O 3.11Å; V474-G476 PolarHBondContact O-N 2.96Å; G476-R548 PolarHBondContact O-NH2 3.45Å
477	Y	82.3	Confident	80.2	Confident	20 Å²	20	31.9 Å²	31.9	8%	0.078	19%	0.185	C	C	.	.	S	Bend	trans	-103.4	169	165.5	-69.3	-76.1	0	0	0	110.3	P464 I473 V474 D475 P479 D553	P464-Y477 HydrophobicContact CB-CD1 4.21Å; P464-Y477 HydrophobicContact CB-CD2 4.19Å; P464-Y477 HydrophobicContact CB-CG 3.94Å; I473-Y477 HydrophobicContact CG2-CD2 3.59Å; I473-Y477 HydrophobicContact CG2-CE2 3.53Å; V474-Y477 PolarHBondContact O-N 2.91Å; D475-Y477 VanDerWaalsContact C-N 3.25Å; D475-Y477 WeakPolarHBondContact O-CD2 3.5Å; D475-Y477 PolarHBondContact O-N 2.81Å; Y477-P479 VanDerWaalsContact O-CD 3.25Å; Y477-P479 WeakPolarHBondContact O-CD 3.07Å; Y477-D553 PolarHBondContact OH-OD1 3.23Å; Y477-D553 PolarHBondContact OH-OD2 2.87Å
478	N	77.7	Confident	80.4	Confident	38 Å²	38	31.5 Å²	31.5	20%	0.203	18%	0.183	C	C	.	.			trans	-57.1	116.3	169.1	-172.4	-24.6	0	0	0	108.3	R461 N462 Y463 N480	R461-N478 WeakPolarHBondContact O-CB 3.42Å; R461-N478 PolarHBondContact O-ND2 3.02Å; N462-N478 WeakPolarHBondContact O-CB 3.38Å; N462-N478 PolarHBondContact O-N 2.71Å; Y463-N478 HydrophobicContact CD1-CB 4.16Å; Y463-N478 HydrophobicContact CE1-CB 4.42Å; N478-N480 PolarHBondContact O-N 3.4Å; N478-N480 WeakPolarHBondContact OD1-CB 3.37Å; N478-N480 PolarHBondContact OD1-N 3.34Å
479	P	68.2	Low	80.7	Confident	33 Å²	33	32.7 Å²	32.7	21%	0.214	19%	0.188	C	C	.	.	S	Bend	trans	-65.6	-25.5	-178.3	30.3	-36.8	0	0	0	109.5	V94 L139 V474 Y477 I481	V94-P479 WeakPolarHBondContact CB-O 3.28Å; V94-P479 WeakPolarHBondContact CG1-O 3.43Å; V94-P479 VanDerWaalsContact CG2-C 3.45Å; V94-P479 HydrophobicContact CG2-CB 4.08Å; V94-P479 WeakPolarHBondContact CG2-O 3.49Å; L139-P479 HydrophobicContact CD1-CG 3.41Å; L139-P479 VanDerWaalsContact CD1-CG 3.41Å; L139-P479 HydrophobicContact CD2-CG 3.53Å; L139-P479 HydrophobicContact CG-CG 4.05Å; V474-P479 HydrophobicContact CG1-CB 4.03Å; Y477-P479 VanDerWaalsContact O-CD 3.25Å; Y477-P479 WeakPolarHBondContact O-CD 3.07Å; P479-I481 VanDerWaalsContact C-N 3.32Å; P479-I481 WeakPolarHBondContact O-CG1 3.46Å; P479-I481 PolarHBondContact O-N 3.45Å
480	N	73	Confident	81.1	Confident	43 Å²	43	31 Å²	31	23%	0.23	18%	0.179	C	C	.	.			trans	-72.1	75.3	-179.3	-163.6	-20.2	0	0	0	114.8	V94 N478 A482 N483 Y484	V94-N480 HydrophobicContact CG2-CB 4.49Å; N478-N480 PolarHBondContact O-N 3.4Å; N478-N480 WeakPolarHBondContact OD1-CB 3.37Å; N478-N480 PolarHBondContact OD1-N 3.34Å; N480-A482 PolarHBondContact O-N 3.29Å; N480-A482 WeakPolarHBondContact OD1-CB 3.23Å; N480-A482 PolarHBondContact OD1-N 2.89Å; N480-N483 HydrophobicContact CB-CB 4.48Å; N480-N483 PolarHBondContact ND2-ND2 3.27Å; N480-N483 VanDerWaalsContact ND2-ND2 3.16Å; N480-N483 PolarHBondContact ND2-OD1 3.26Å; N480-N483 PolarHBondContact O-N 3.29Å; N480-N483 PolarHBondContact OD1-N 2.64Å; N480-Y484 PolarHBondContact O-N 3.42Å
481	I	75.2	Confident	81.5	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-29.1	174	-61.8	162.7	0	0	0	112	V94 V467 L469 P472 P479 Y484 T485	V94-I481 HydrophobicContact CG1-CB 3.92Å; V94-I481 HydrophobicContact CG1-CD1 3.96Å; V94-I481 HydrophobicContact CG1-CG1 3.99Å; V467-I481 HydrophobicContact CG1-CG2 4.19Å; L469-I481 HydrophobicContact CD2-CG2 4.09Å; P472-I481 HydrophobicContact CB-CD1 3.52Å; P479-I481 VanDerWaalsContact C-N 3.32Å; P479-I481 WeakPolarHBondContact O-CG1 3.46Å; P479-I481 PolarHBondContact O-N 3.45Å; I481-Y484 PolarHBondContact O-N 2.95Å; I481-T485 WeakPolarHBondContact O-CB 3.48Å; I481-T485 PolarHBondContact O-N 2.91Å; I481-T485 PolarHBondContact O-OG1 2.97Å
482	A	77.1	Confident	81.8	Confident	19 Å²	19	31.9 Å²	31.9	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-45	174.6	0	0	0	0	0	111.3	V94 T95 N480 Y484 T485 F486	V94-A482 WeakPolarHBondContact O-CB 3.39Å; V94-A482 PolarHBondContact O-N 2.84Å; T95-A482 HydrophobicContact CG2-CB 4.09Å; N480-A482 PolarHBondContact O-N 3.29Å; N480-A482 WeakPolarHBondContact OD1-CB 3.23Å; N480-A482 PolarHBondContact OD1-N 2.89Å; A482-Y484 PolarHBondContact O-N 3.42Å; A482-T485 WeakPolarHBondContact O-CA 3.16Å; A482-T485 VanDerWaalsContact O-CB 3.31Å; A482-T485 WeakPolarHBondContact O-CB 3.06Å; A482-T485 PolarHBondContact O-N 3.3Å; A482-T485 VanDerWaalsContact O-N 3.08Å; A482-F486 HydrophobicContact CB-CE2 4.28Å; A482-F486 WeakPolarHBondContact O-CD2 3.05Å; A482-F486 PolarHBondContact O-N 2.89Å
483	N	81.4	Confident	82.4	Confident	68 Å²	68	34.4 Å²	34.4	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-60.3	-46.2	174.4	-73.5	-2.1	0	0	0	111.2	Y463 N480 T485 F486 D487	Y463-N483 HydrophobicContact CE1-CB 4.49Å; N480-N483 HydrophobicContact CB-CB 4.48Å; N480-N483 PolarHBondContact ND2-ND2 3.27Å; N480-N483 VanDerWaalsContact ND2-ND2 3.16Å; N480-N483 PolarHBondContact ND2-OD1 3.26Å; N480-N483 PolarHBondContact O-N 3.29Å; N480-N483 PolarHBondContact OD1-N 2.64Å; N483-T485 PolarHBondContact O-N 2.98Å; N483-F486 PolarHBondContact O-N 3.34Å; N483-D487 WeakPolarHBondContact O-CA 3.39Å; N483-D487 WeakPolarHBondContact O-CB 3.38Å; N483-D487 PolarHBondContact O-N 2.81Å
484	Y	85.2	Confident	82.8	Confident	7 Å²	7	34 Å²	34	3%	0.027	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-39.3	175.3	-173.8	-173	0	0	0	111.7	Y463 P464 V467 N480 I481 A482 F486 V488 Y489	Y463-Y484 HydrophobicContact CD1-CD1 4.32Å; Y463-Y484 AromaticContact CD1-CG 3.98Å; Y463-Y484 HydrophobicContact CD1-CG 3.98Å; Y463-Y484 AromaticContact CD2-CD2 3.92Å; Y463-Y484 HydrophobicContact CD2-CD2 3.92Å; Y463-Y484 HydrophobicContact CD2-CG 4.05Å; Y463-Y484 HydrophobicContact CE1-CG 4.49Å; Y463-Y484 HydrophobicContact CE2-CD2 4.38Å; Y463-Y484 HydrophobicContact CG-CD1 4.06Å; Y463-Y484 HydrophobicContact CG-CD2 4.09Å; Y463-Y484 AromaticContact CG-CG 3.76Å; Y463-Y484 HydrophobicContact CG-CG 3.76Å; P464-Y484 HydrophobicContact CG-CD1 3.89Å; P464-Y484 HydrophobicContact CG-CE1 4.05Å; P464-Y484 WeakPolarHBondContact O-CE1 3Å; V467-Y484 HydrophobicContact CB-CE1 4.47Å; V467-Y484 HydrophobicContact CG2-CD1 3.38Å; V467-Y484 HydrophobicContact CG2-CD2 3.92Å; V467-Y484 HydrophobicContact CG2-CE1 3.3Å; V467-Y484 HydrophobicContact CG2-CE2 3.82Å; V467-Y484 HydrophobicContact CG2-CG 3.67Å; N480-Y484 PolarHBondContact O-N 3.42Å; I481-Y484 PolarHBondContact O-N 2.95Å; A482-Y484 PolarHBondContact O-N 3.42Å; Y484-F486 PolarHBondContact O-N 2.65Å; Y484-V488 HydrophobicContact CD2-CB 3.64Å; Y484-V488 HydrophobicContact CD2-CG1 4.43Å; Y484-V488 HydrophobicContact CD2-CG2 3.8Å; Y484-V488 HydrophobicContact CE2-CB 3.54Å; Y484-V488 HydrophobicContact CE2-CG1 3.83Å; Y484-V488 HydrophobicContact CE2-CG2 3.94Å; Y484-V488 PolarHBondContact O-N 3.14Å; Y484-Y489 PolarHBondContact O-N 3.31Å; Y484-Y489 VanDerWaalsContact O-N 3.14Å
485	T	86.3	Confident	83.8	Confident	12 Å²	12	31.6 Å²	31.6	7%	0.074	17%	0.174	C	C	.	.	I	π-helix	trans	-61	-46.7	178.2	-58	0	0	0	0	111.6	I481 A482 N483 Y489 M490	I481-T485 WeakPolarHBondContact O-CB 3.48Å; I481-T485 PolarHBondContact O-N 2.91Å; I481-T485 PolarHBondContact O-OG1 2.97Å; A482-T485 WeakPolarHBondContact O-CA 3.16Å; A482-T485 VanDerWaalsContact O-CB 3.31Å; A482-T485 WeakPolarHBondContact O-CB 3.06Å; A482-T485 PolarHBondContact O-N 3.3Å; A482-T485 VanDerWaalsContact O-N 3.08Å; N483-T485 PolarHBondContact O-N 2.98Å; T485-Y489 HydrophobicContact CG2-CD1 4.3Å; T485-Y489 WeakPolarHBondContact O-CB 3.23Å; T485-Y489 PolarHBondContact O-N 3.45Å; T485-M490 HydrophobicContact CG2-CE 3.67Å; T485-M490 HydrophobicContact CG2-CG 4.11Å; T485-M490 HydrophobicContact CG2-SD 4.14Å; T485-M490 WeakPolarHBondContact O-CB 3.49Å; T485-M490 WeakPolarHBondContact O-CG 3.32Å; T485-M490 PolarHBondContact O-N 2.87Å
486	F	85.8	Confident	84.6	Confident	47 Å²	47	28.1 Å²	28.1	21%	0.206	15%	0.151	C	C	.	.	I	π-helix	trans	-81	-31.2	-179.4	-60.1	-52.4	0	0	0	113.9	L407 A482 N483 Y484 M490 K491	L407-F486 HydrophobicContact CD1-CD1 3.57Å; L407-F486 HydrophobicContact CD1-CE1 3.14Å; L407-F486 HydrophobicContact CD1-CZ 4.16Å; A482-F486 HydrophobicContact CB-CE2 4.28Å; A482-F486 WeakPolarHBondContact O-CD2 3.05Å; A482-F486 PolarHBondContact O-N 2.89Å; N483-F486 PolarHBondContact O-N 3.34Å; Y484-F486 PolarHBondContact O-N 2.65Å; F486-M490 HydrophobicContact CD1-SD 3.85Å; F486-M490 HydrophobicContact CE1-CE 4.47Å; F486-M490 HydrophobicContact CE1-SD 3.89Å; F486-K491 WeakPolarHBondContact O-CE 3.24Å; F486-K491 VanDerWaalsContact O-CG 3.31Å; F486-K491 WeakPolarHBondContact O-CG 3.19Å
487	D	85.7	Confident	85.6	Confident	32 Å²	32	26.1 Å²	26.1	17%	0.171	13%	0.131	C	C	.	.	I	π-helix	trans	-86.7	-22.9	-173	-65.6	7.4	0	0	0	112.4	H404 Y463 N483 Y493	H404-D487 IonicContact CE1-OD1 2.75Å; H404-D487 PolarHBondContact CE1-OD1 3.1Å; H404-D487 IonicContact ND1-OD1 2.75Å; H404-D487 PolarHBondContact ND1-OD1 3.5Å; Y463-D487 PolarHBondContact OH-OD2 2.97Å; N483-D487 WeakPolarHBondContact O-CA 3.39Å; N483-D487 WeakPolarHBondContact O-CB 3.38Å; N483-D487 PolarHBondContact O-N 2.81Å; D487-Y493 WeakPolarHBondContact O-CE2 3.4Å; D487-Y493 PolarHBondContact O-OH 3.49Å
488	V	89.4	Confident	86.2	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	13%	0.127	C	C	.	.	I	π-helix	trans	-137.6	-49.5	-177.7	-174.8	0	0	0	0	111.4	K454 I457 Y463 Y484 K491 Y493	K454-V488 HydrophobicContact CG-CG1 4.01Å; I457-V488 HydrophobicContact CG2-CG2 3.67Å; Y463-V488 HydrophobicContact CD2-CG2 4.34Å; Y463-V488 HydrophobicContact CE2-CG2 4.22Å; Y484-V488 HydrophobicContact CD2-CB 3.64Å; Y484-V488 HydrophobicContact CD2-CG1 4.43Å; Y484-V488 HydrophobicContact CD2-CG2 3.8Å; Y484-V488 HydrophobicContact CE2-CB 3.54Å; Y484-V488 HydrophobicContact CE2-CG1 3.83Å; Y484-V488 HydrophobicContact CE2-CG2 3.94Å; Y484-V488 PolarHBondContact O-N 3.14Å; V488-K491 PolarHBondContact O-N 2.7Å; V488-Y493 HydrophobicContact CG1-CE2 4.48Å
489	Y	89.3	Confident	87.2	Confident	29 Å²	29	23.3 Å²	23.3	11%	0.114	12%	0.117	C	C	.	.	I	π-helix	trans	-66.3	-44.8	-171	-175.8	-94	0	0	0	112.8	T308 W413 V467 Y484 T485 K491 W495	T308-Y489 HydrophobicContact CG2-CE2 4.19Å; W413-Y489 AromaticContact CE2-CE1 3.8Å; W413-Y489 HydrophobicContact CH2-CE1 4.25Å; W413-Y489 HydrophobicContact CZ2-CD1 4.08Å; W413-Y489 AromaticContact CZ2-CE1 3.43Å; W413-Y489 HydrophobicContact CZ2-CE1 3.43Å; W413-Y489 VanDerWaalsContact CZ2-CE1 3.43Å; W413-Y489 AromaticContact CZ2-CZ 3.9Å; W413-Y489 WeakPolarHBondContact CZ3-O 3.36Å; W413-Y489 AromaticContact NE1-CE1 3.95Å; V467-Y489 HydrophobicContact CB-CD2 4.02Å; V467-Y489 HydrophobicContact CG2-CD2 4.06Å; V467-Y489 HydrophobicContact CG2-CG 4.37Å; Y484-Y489 PolarHBondContact O-N 3.31Å; Y484-Y489 VanDerWaalsContact O-N 3.14Å; T485-Y489 HydrophobicContact CG2-CD1 4.3Å; T485-Y489 WeakPolarHBondContact O-CB 3.23Å; T485-Y489 PolarHBondContact O-N 3.45Å; Y489-K491 VanDerWaalsContact C-N 3.33Å; Y489-W495 HydrophobicContact CD2-CH2 4.07Å; Y489-W495 AromaticContact CD2-CZ2 3.57Å; Y489-W495 HydrophobicContact CD2-CZ2 3.57Å; Y489-W495 HydrophobicContact CE1-CZ2 4.45Å; Y489-W495 AromaticContact CE2-CH2 3.63Å; Y489-W495 HydrophobicContact CE2-CH2 3.63Å; Y489-W495 AromaticContact CE2-CZ2 3.38Å; Y489-W495 HydrophobicContact CE2-CZ2 3.38Å; Y489-W495 HydrophobicContact CG-CZ2 4.18Å; Y489-W495 AromaticContact CZ-CZ2 3.85Å; Y489-W495 PolarHBondContact O-NE1 2.92Å
490	M	91.2	Very high	88.6	Confident	19 Å²	19	21.8 Å²	21.8	9%	0.094	11%	0.107	C	C	.	.	S	Bend	trans	-84.9	-8.9	-179.7	-67	-173.4	173	0	0	113.2	N401 L407 W413 T485 F486	N401-M490 WeakPolarHBondContact CB-O 3.34Å; N401-M490 PolarHBondContact ND2-O 3.17Å; L407-M490 HydrophobicContact CD1-SD 3.86Å; L407-M490 HydrophobicContact CD2-SD 4.23Å; W413-M490 HydrophobicContact CB-CB 4.12Å; W413-M490 HydrophobicContact CB-CG 4.08Å; W413-M490 HydrophobicContact CB-SD 4.23Å; W413-M490 HydrophobicContact CD2-CB 4.18Å; W413-M490 HydrophobicContact CD2-CG 3.98Å; W413-M490 HydrophobicContact CE3-CB 4.31Å; W413-M490 HydrophobicContact CG-CB 4.1Å; W413-M490 HydrophobicContact CG-CE 4.46Å; W413-M490 HydrophobicContact CG-CG 3.73Å; W413-M490 HydrophobicContact CG-SD 4.23Å; T485-M490 HydrophobicContact CG2-CE 3.67Å; T485-M490 HydrophobicContact CG2-CG 4.11Å; T485-M490 HydrophobicContact CG2-SD 4.14Å; T485-M490 WeakPolarHBondContact O-CB 3.49Å; T485-M490 WeakPolarHBondContact O-CG 3.32Å; T485-M490 PolarHBondContact O-N 2.87Å; F486-M490 HydrophobicContact CD1-SD 3.85Å; F486-M490 HydrophobicContact CE1-CE 4.47Å; F486-M490 HydrophobicContact CE1-SD 3.89Å
491	K	92.1	Very high	89.8	Confident	11 Å²	11	20.3 Å²	20.3	5%	0.048	10%	0.099	C	C	.	.	S	Bend	trans	-81.8	149.2	-179.2	-62.6	-62.5	-165.2	-150.2	0	111.7	N401 L402 E403 H404 F486 V488 Y489 Y493 G494	N401-K491 WeakPolarHBondContact O-CD 3.38Å; N401-K491 PolarHBondContact O-NZ 2.81Å; N401-K491 VanDerWaalsContact O-NZ 3.16Å; L402-K491 VanDerWaalsContact C-NZ 3.29Å; L402-K491 PolarHBondContact O-NZ 2.66Å; E403-K491 PolarHBondContact O-NZ 2.77Å; H404-K491 PolarHBondContact NE2-NZ 3.15Å; F486-K491 WeakPolarHBondContact O-CE 3.24Å; F486-K491 VanDerWaalsContact O-CG 3.31Å; F486-K491 WeakPolarHBondContact O-CG 3.19Å; V488-K491 PolarHBondContact O-N 2.7Å; Y489-K491 VanDerWaalsContact C-N 3.33Å; K491-Y493 VanDerWaalsContact C-N 3.28Å; K491-Y493 HydrophobicContact CB-CD1 3.87Å; K491-Y493 HydrophobicContact CB-CD2 4.23Å; K491-Y493 HydrophobicContact CB-CE1 3.49Å; K491-Y493 VanDerWaalsContact CB-CE1 3.49Å; K491-Y493 HydrophobicContact CB-CE2 3.87Å; K491-Y493 HydrophobicContact CB-CG 4.24Å; K491-Y493 HydrophobicContact CD-CE1 4.44Å; K491-Y493 HydrophobicContact CG-CE1 3.82Å; K491-Y493 HydrophobicContact CG-CE2 4.32Å; K491-Y493 PolarHBondContact O-N 3.37Å; K491-G494 PolarHBondContact O-N 3.24Å
492	P	92.6	Very high	90.8	Very high	23 Å²	23	20 Å²	20	15%	0.149	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-62.5	-32.8	-178.7	25.4	-35.1	0	0	0	113.1	A417 Q420 L421 G494 W495 W496	A417-P492 HydrophobicContact CB-CB 4.36Å; Q420-P492 HydrophobicContact CB-CB 4.47Å; L421-P492 HydrophobicContact CD2-CB 4.27Å; L421-P492 HydrophobicContact CG-CB 4.14Å; P492-G494 VanDerWaalsContact C-N 3.27Å; P492-G494 PolarHBondContact O-N 3.06Å; P492-W495 PolarHBondContact O-N 2.73Å; P492-W496 PolarHBondContact O-N 3.15Å
493	Y	90.9	Very high	91.8	Very high	85 Å²	85	19.1 Å²	19.1	33%	0.333	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-67.8	-24.3	-180	52.2	-103	0	0	0	113.6	I457 D487 V488 K491 W495 W496	I457-Y493 HydrophobicContact CD1-CD2 4.38Å; I457-Y493 HydrophobicContact CD1-CE2 3.88Å; D487-Y493 WeakPolarHBondContact O-CE2 3.4Å; D487-Y493 PolarHBondContact O-OH 3.49Å; V488-Y493 HydrophobicContact CG1-CE2 4.48Å; K491-Y493 VanDerWaalsContact C-N 3.28Å; K491-Y493 HydrophobicContact CB-CD1 3.87Å; K491-Y493 HydrophobicContact CB-CD2 4.23Å; K491-Y493 HydrophobicContact CB-CE1 3.49Å; K491-Y493 VanDerWaalsContact CB-CE1 3.49Å; K491-Y493 HydrophobicContact CB-CE2 3.87Å; K491-Y493 HydrophobicContact CB-CG 4.24Å; K491-Y493 HydrophobicContact CD-CE1 4.44Å; K491-Y493 HydrophobicContact CG-CE1 3.82Å; K491-Y493 HydrophobicContact CG-CE2 4.32Å; K491-Y493 PolarHBondContact O-N 3.37Å; Y493-W495 PolarHBondContact O-N 2.71Å; Y493-W495 VanDerWaalsContact O-N 3.17Å; Y493-W496 PolarHBondContact O-N 2.64Å
494	G	90.8	Very high	92.5	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.8	176.9	0	0	0	0	0	114.2	K454 K491 P492	K454-G494 PolarHBondContact NZ-O 3.26Å; K491-G494 PolarHBondContact O-N 3.24Å; P492-G494 VanDerWaalsContact C-N 3.27Å; P492-G494 PolarHBondContact O-N 3.06Å
495	W	93.4	Very high	93.1	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-123.3	9.2	-176.2	-50.6	99	0	0	0	113.6	T308 A312 F315 W413 Y489 P492 Y493 G497 S498 Y499	T308-W495 HydrophobicContact CG2-CH2 3.53Å; T308-W495 HydrophobicContact CG2-CZ3 4.04Å; T308-W495 WeakPolarHBondContact O-CH2 3.46Å; T308-W495 WeakPolarHBondContact O-CZ3 3.05Å; A312-W495 HydrophobicContact CB-CE3 3.93Å; A312-W495 HydrophobicContact CB-CZ3 3.85Å; F315-W495 HydrophobicContact CD1-CB 4.49Å; F315-W495 HydrophobicContact CD2-CB 3.64Å; F315-W495 HydrophobicContact CD2-CD2 4.09Å; F315-W495 HydrophobicContact CD2-CE3 4.4Å; F315-W495 AromaticContact CD2-CG 3.75Å; F315-W495 HydrophobicContact CD2-CG 3.75Å; F315-W495 HydrophobicContact CE1-CB 4.41Å; F315-W495 HydrophobicContact CE2-CB 3.52Å; F315-W495 AromaticContact CE2-CD1 3.56Å; F315-W495 AromaticContact CE2-CD2 3.75Å; F315-W495 HydrophobicContact CE2-CD2 3.75Å; F315-W495 HydrophobicContact CE2-CE3 4.46Å; F315-W495 AromaticContact CE2-CG 3.26Å; F315-W495 HydrophobicContact CE2-CG 3.26Å; F315-W495 HydrophobicContact CG-CB 4.12Å; F315-W495 HydrophobicContact CZ-CB 3.93Å; F315-W495 AromaticContact CZ-CD1 3.81Å; F315-W495 AromaticContact CZ-CG 3.84Å; F315-W495 HydrophobicContact CZ-CG 3.84Å; W413-W495 AromaticContact CH2-CD1 3.87Å; W413-W495 HydrophobicContact CH2-CD2 4.4Å; W413-W495 AromaticContact CH2-CE2 3.49Å; W413-W495 VanDerWaalsContact CH2-CE2 3.49Å; W413-W495 AromaticContact CH2-CZ2 3.76Å; W413-W495 HydrophobicContact CH2-CZ2 3.76Å; W413-W495 AromaticContact CH2-NE1 3.11Å; W413-W495 HydrophobicContact CZ2-CZ2 4.38Å; W413-W495 AromaticContact CZ3-CD1 3.59Å; W413-W495 AromaticContact CZ3-NE1 3.17Å; Y489-W495 HydrophobicContact CD2-CH2 4.07Å; Y489-W495 AromaticContact CD2-CZ2 3.57Å; Y489-W495 HydrophobicContact CD2-CZ2 3.57Å; Y489-W495 HydrophobicContact CE1-CZ2 4.45Å; Y489-W495 AromaticContact CE2-CH2 3.63Å; Y489-W495 HydrophobicContact CE2-CH2 3.63Å; Y489-W495 AromaticContact CE2-CZ2 3.38Å; Y489-W495 HydrophobicContact CE2-CZ2 3.38Å; Y489-W495 HydrophobicContact CG-CZ2 4.18Å; Y489-W495 AromaticContact CZ-CZ2 3.85Å; Y489-W495 PolarHBondContact O-NE1 2.92Å; P492-W495 PolarHBondContact O-N 2.73Å; Y493-W495 PolarHBondContact O-N 2.71Å; Y493-W495 VanDerWaalsContact O-N 3.17Å; W495-G497 PolarHBondContact O-N 3.02Å; W495-S498 PolarHBondContact O-N 3.39Å; W495-S498 PolarHBondContact O-OG 3.4Å; W495-Y499 PolarHBondContact O-N 3.04Å
496	W	93.5	Very high	93.5	Very high	49 Å²	49	19.2 Å²	19.2	19%	0.186	9%	0.085	C	C	.	.	H	α-helix	trans	-57.8	-40.3	-176.2	-167.7	7.6	0	0	0	111.6	L421 H425 L446 P492 Y493 Y499 L500	L421-W496 HydrophobicContact CD2-CG 4.45Å; H425-W496 AromaticContact CE1-CD1 3.42Å; H425-W496 VanDerWaalsContact CE1-CD1 3.42Å; H425-W496 AromaticContact CE1-NE1 3.03Å; H425-W496 PolarHBondContact CE1-NE1 3.42Å; H425-W496 AromaticContact NE2-CD1 3.47Å; H425-W496 AromaticContact NE2-CE2 3.87Å; H425-W496 AromaticContact NE2-NE1 2.78Å; H425-W496 PolarHBondContact NE2-NE1 2.93Å; L446-W496 HydrophobicContact CB-CZ2 4.24Å; L446-W496 HydrophobicContact CD1-CZ2 4.24Å; L446-W496 HydrophobicContact CD2-CH2 3.78Å; L446-W496 HydrophobicContact CD2-CZ2 3.6Å; L446-W496 HydrophobicContact CG-CZ2 4.23Å; P492-W496 PolarHBondContact O-N 3.15Å; Y493-W496 PolarHBondContact O-N 2.64Å; W496-Y499 PolarHBondContact O-N 2.79Å; W496-L500 HydrophobicContact CG-CD1 4.15Å; W496-L500 WeakPolarHBondContact O-CB 3.27Å; W496-L500 VanDerWaalsContact O-CG 3.29Å; W496-L500 WeakPolarHBondContact O-CG 3.5Å; W496-L500 PolarHBondContact O-N 2.93Å
497	G	95.5	Very high	93.9	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-48.2	178.1	0	0	0	0	0	114.2	S450 W495 Y499 L500 V501	S450-G497 WeakPolarHBondContact OG-CA 3.35Å; W495-G497 PolarHBondContact O-N 3.02Å; G497-Y499 VanDerWaalsContact C-N 3.34Å; G497-Y499 PolarHBondContact O-N 3.45Å; G497-L500 PolarHBondContact O-N 3.36Å; G497-V501 WeakPolarHBondContact O-CG2 3.03Å; G497-V501 PolarHBondContact O-N 2.74Å
498	S	96.2	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-37.7	-179.5	62	0	0	0	0	111.8	V316 W495 G502 P561	V316-S498 WeakPolarHBondContact CG2-O 3.14Å; W495-S498 PolarHBondContact O-N 3.39Å; W495-S498 PolarHBondContact O-OG 3.4Å; S498-G502 PolarHBondContact O-N 2.89Å; S498-P561 WeakPolarHBondContact CA-O 3.09Å; S498-P561 VanDerWaalsContact CB-O 3.3Å; S498-P561 WeakPolarHBondContact CB-O 3.29Å
499	Y	97.5	Very high	94.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.6	-45.3	175.2	-169.7	-86.8	0	0	0	112.4	F315 F322 L421 F422 H425 W495 W496 G497 G502 M503	F315-Y499 HydrophobicContact CB-CD2 4.5Å; F315-Y499 HydrophobicContact CD1-CD2 4.18Å; F322-Y499 WeakPolarHBondContact CD1-OH 3.32Å; L421-Y499 HydrophobicContact CB-CD1 4.1Å; L421-Y499 HydrophobicContact CB-CD2 3.96Å; L421-Y499 HydrophobicContact CB-CE1 4.17Å; L421-Y499 HydrophobicContact CB-CE2 4Å; L421-Y499 HydrophobicContact CB-CG 4Å; L421-Y499 HydrophobicContact CD1-CD2 4.05Å; L421-Y499 HydrophobicContact CD1-CG 4.01Å; F422-Y499 VanDerWaalsContact CA-OH 3.25Å; F422-Y499 WeakPolarHBondContact CA-OH 3.39Å; H425-Y499 HydrophobicContact CB-CE1 4.09Å; H425-Y499 AromaticContact ND1-CD1 3.98Å; H425-Y499 AromaticContact ND1-CE1 3.92Å; W495-Y499 PolarHBondContact O-N 3.04Å; W496-Y499 PolarHBondContact O-N 2.79Å; G497-Y499 VanDerWaalsContact C-N 3.34Å; G497-Y499 PolarHBondContact O-N 3.45Å; Y499-G502 PolarHBondContact O-N 3.42Å; Y499-M503 WeakPolarHBondContact O-CB 3.49Å; Y499-M503 PolarHBondContact O-N 2.66Å
500	L	97.7	Very high	94.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-44.1	177.5	-79	171.1	0	0	0	111.8	H425 L428 T443 L446 L447 W496 G497 G502 M503 Y504	H425-L500 VanDerWaalsContact CD2-CD2 3.45Å; H425-L500 WeakPolarHBondContact CD2-CD2 3.14Å; H425-L500 VanDerWaalsContact NE2-CD2 3.29Å; H425-L500 WeakPolarHBondContact NE2-CD2 3.07Å; L428-L500 HydrophobicContact CD2-CD2 4.35Å; T443-L500 HydrophobicContact CG2-CD2 4.37Å; L446-L500 HydrophobicContact CB-CD1 3.74Å; L446-L500 HydrophobicContact CB-CD2 4.44Å; L446-L500 HydrophobicContact CD1-CD2 4.47Å; L447-L500 HydrophobicContact CD1-CB 4.23Å; L447-L500 HydrophobicContact CD1-CD1 4.47Å; W496-L500 HydrophobicContact CG-CD1 4.15Å; W496-L500 WeakPolarHBondContact O-CB 3.27Å; W496-L500 VanDerWaalsContact O-CG 3.29Å; W496-L500 WeakPolarHBondContact O-CG 3.5Å; W496-L500 PolarHBondContact O-N 2.93Å; G497-L500 PolarHBondContact O-N 3.36Å; L500-G502 VanDerWaalsContact C-N 3.34Å; L500-G502 PolarHBondContact O-N 2.95Å; L500-M503 HydrophobicContact CD2-CE 3.92Å; L500-M503 PolarHBondContact O-N 3.32Å; L500-Y504 WeakPolarHBondContact O-CB 3.11Å; L500-Y504 PolarHBondContact O-N 2.77Å
501	V	98	Very high	94	Very high	11 Å²	11	19.8 Å²	19.8	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-59.9	-47	175.2	173.4	0	0	0	0	110.4	L447 G497 M503 Y504 F505 V562 G565 L566 A569	L447-V501 HydrophobicContact CD1-CG2 3.94Å; G497-V501 WeakPolarHBondContact O-CG2 3.03Å; G497-V501 PolarHBondContact O-N 2.74Å; V501-M503 PolarHBondContact O-N 3.17Å; V501-Y504 PolarHBondContact O-N 3.21Å; V501-F505 VanDerWaalsContact O-CB 3.23Å; V501-F505 WeakPolarHBondContact O-CB 3.25Å; V501-F505 PolarHBondContact O-N 2.97Å; V501-V562 HydrophobicContact CG2-CG1 3.95Å; V501-G565 VanDerWaalsContact CG1-C 3.4Å; V501-L566 HydrophobicContact CG1-CD2 3.82Å; V501-L566 HydrophobicContact CG1-CG 4.08Å; V501-L566 HydrophobicContact CG2-CD2 4.38Å; V501-L566 HydrophobicContact CG2-CG 4.29Å; V501-A569 HydrophobicContact CG1-CB 4.23Å
502	G	97.6	Very high	93.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.1	-50.4	173.8	0	0	0	0	0	112.2	V316 A320 S498 Y499 L500 Y504 F505 G506	V316-G502 WeakPolarHBondContact O-CA 3.23Å; A320-G502 WeakPolarHBondContact CA-O 3.37Å; A320-G502 VanDerWaalsContact CB-O 3.32Å; A320-G502 WeakPolarHBondContact CB-O 3.47Å; A320-G502 VanDerWaalsContact N-C 3.3Å; A320-G502 PolarHBondContact N-O 3.24Å; S498-G502 PolarHBondContact O-N 2.89Å; Y499-G502 PolarHBondContact O-N 3.42Å; L500-G502 VanDerWaalsContact C-N 3.34Å; L500-G502 PolarHBondContact O-N 2.95Å; G502-Y504 PolarHBondContact O-N 3.43Å; G502-F505 WeakPolarHBondContact O-CB 3.08Å; G502-F505 PolarHBondContact O-N 3.34Å; G502-G506 PolarHBondContact O-N 3.48Å
503	M	97.3	Very high	92.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.8	-46.9	179.6	-176.8	-158.1	66.3	0	0	112.4	G319 S323 H425 L428 V429 L432 T443 Y499 L500 V501 G506 Y507	G319-M503 WeakPolarHBondContact O-CA 3.45Å; S323-M503 WeakPolarHBondContact CB-O 3.42Å; S323-M503 PolarHBondContact OG-O 3.31Å; H425-M503 HydrophobicContact CB-SD 3.94Å; L428-M503 HydrophobicContact CD2-CE 3.63Å; L428-M503 HydrophobicContact CD2-SD 4.1Å; L428-M503 HydrophobicContact CG-CE 4.14Å; L428-M503 HydrophobicContact CG-SD 4.38Å; V429-M503 HydrophobicContact CG2-CG 3.75Å; V429-M503 HydrophobicContact CG2-SD 3.73Å; L432-M503 HydrophobicContact CD1-CE 4.37Å; T443-M503 HydrophobicContact CG2-CE 3.95Å; Y499-M503 WeakPolarHBondContact O-CB 3.49Å; Y499-M503 PolarHBondContact O-N 2.66Å; L500-M503 HydrophobicContact CD2-CE 3.92Å; L500-M503 PolarHBondContact O-N 3.32Å; V501-M503 PolarHBondContact O-N 3.17Å; M503-G506 PolarHBondContact O-N 3.26Å; M503-Y507 PolarHBondContact O-N 3.46Å
504	Y	97.5	Very high	91	Very high	76 Å²	76	28.4 Å²	28.4	30%	0.298	13%	0.133	S	C	.	.	H	α-helix	trans	-68.3	-39.8	178.1	-162.9	-103.7	0	0	0	111.8	L432 S440 T443 L500 V501 G502 G506 Y507 I508	L432-Y504 HydrophobicContact CD2-CD2 4.44Å; L432-Y504 HydrophobicContact CD2-CE2 4.27Å; S440-Y504 WeakPolarHBondContact OG-CE2 3.47Å; S440-Y504 PolarHBondContact OG-OH 3.35Å; T443-Y504 HydrophobicContact CG2-CD2 3.95Å; T443-Y504 HydrophobicContact CG2-CG 4.32Å; L500-Y504 WeakPolarHBondContact O-CB 3.11Å; L500-Y504 PolarHBondContact O-N 2.77Å; V501-Y504 PolarHBondContact O-N 3.21Å; G502-Y504 PolarHBondContact O-N 3.43Å; Y504-G506 VanDerWaalsContact C-N 3.29Å; Y504-G506 PolarHBondContact O-N 2.69Å; Y504-Y507 HydrophobicContact CE2-CD1 4.21Å; Y504-Y507 WeakPolarHBondContact O-CB 3.03Å; Y504-Y507 PolarHBondContact O-N 3.23Å; Y504-I508 HydrophobicContact CD1-CD1 3.75Å; Y504-I508 HydrophobicContact CD1-CG1 4.27Å; Y504-I508 HydrophobicContact CE1-CD1 3.77Å; Y504-I508 HydrophobicContact CE1-CG1 4.16Å; Y504-I508 PolarHBondContact O-N 2.99Å
505	F	96.3	Very high	89.4	Confident	13 Å²	13	34.7 Å²	34.7	6%	0.057	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-40.9	172.1	171.5	-116.1	0	0	0	111.9	A320 V501 G502 Y507 I508 L509 A569 I572 C573	A320-F505 HydrophobicContact CB-CD1 3.9Å; A320-F505 HydrophobicContact CB-CE1 4.49Å; V501-F505 VanDerWaalsContact O-CB 3.23Å; V501-F505 WeakPolarHBondContact O-CB 3.25Å; V501-F505 PolarHBondContact O-N 2.97Å; G502-F505 WeakPolarHBondContact O-CB 3.08Å; G502-F505 PolarHBondContact O-N 3.34Å; F505-Y507 VanDerWaalsContact C-N 3.28Å; F505-Y507 PolarHBondContact O-N 3.03Å; F505-I508 PolarHBondContact O-N 3.46Å; F505-L509 WeakPolarHBondContact O-CB 3.38Å; F505-L509 PolarHBondContact O-N 2.8Å; F505-A569 HydrophobicContact CB-CB 3.92Å; F505-A569 HydrophobicContact CD1-CB 4.14Å; F505-A569 HydrophobicContact CD2-CB 3.99Å; F505-A569 WeakPolarHBondContact CE2-O 3.42Å; F505-A569 HydrophobicContact CG-CB 3.73Å; F505-I572 HydrophobicContact CE1-CB 3.9Å; F505-I572 HydrophobicContact CE1-CG2 3.65Å; F505-I572 HydrophobicContact CZ-CB 3.98Å; F505-I572 HydrophobicContact CZ-CG2 3.78Å; F505-C573 HydrophobicContact CE2-CB 3.67Å; F505-C573 HydrophobicContact CZ-CB 4.09Å
506	G	94.6	Very high	88	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-32.8	174	0	0	0	0	0	113.8	A320 G502 M503 Y504 F510	A320-G506 WeakPolarHBondContact O-CA 3.37Å; G502-G506 PolarHBondContact O-N 3.48Å; M503-G506 PolarHBondContact O-N 3.26Å; Y504-G506 VanDerWaalsContact C-N 3.29Å; Y504-G506 PolarHBondContact O-N 2.69Å; G506-F510 WeakPolarHBondContact O-CB 3.43Å; G506-F510 PolarHBondContact O-N 3.47Å
507	Y	94.8	Very high	87.3	Confident	15 Å²	15	43.2 Å²	43.2	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-43.8	172.6	166.4	-100.9	0	0	0	111.8	S323 L327 L432 P436 M503 Y504 F505 F510 G511	S323-Y507 PolarHBondContact OG-N 2.97Å; L327-Y507 HydrophobicContact CD1-CD2 3.68Å; L327-Y507 HydrophobicContact CD1-CG 4.3Å; L432-Y507 HydrophobicContact CB-CD2 4.02Å; L432-Y507 HydrophobicContact CB-CE2 4.33Å; L432-Y507 HydrophobicContact CD1-CD2 4.49Å; L432-Y507 HydrophobicContact CD1-CG 4.31Å; L432-Y507 HydrophobicContact CD2-CD1 4.26Å; L432-Y507 HydrophobicContact CD2-CD2 4.26Å; L432-Y507 HydrophobicContact CD2-CG 4.15Å; L432-Y507 HydrophobicContact CG-CD2 4.5Å; P436-Y507 WeakPolarHBondContact CB-OH 3.43Å; M503-Y507 PolarHBondContact O-N 3.46Å; Y504-Y507 HydrophobicContact CE2-CD1 4.21Å; Y504-Y507 WeakPolarHBondContact O-CB 3.03Å; Y504-Y507 PolarHBondContact O-N 3.23Å; F505-Y507 VanDerWaalsContact C-N 3.28Å; F505-Y507 PolarHBondContact O-N 3.03Å; Y507-F510 WeakPolarHBondContact O-CB 3.34Å; Y507-F510 PolarHBondContact O-N 3.22Å; Y507-G511 PolarHBondContact O-N 3.43Å
508	I	92.9	Very high	86.8	Confident	58 Å²	58	51.4 Å²	51.4	30%	0.297	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-49.5	173.9	-66.5	167.3	0	0	0	109.8	Y504 F505 F510 G511 L512	Y504-I508 HydrophobicContact CD1-CD1 3.75Å; Y504-I508 HydrophobicContact CD1-CG1 4.27Å; Y504-I508 HydrophobicContact CE1-CD1 3.77Å; Y504-I508 HydrophobicContact CE1-CG1 4.16Å; Y504-I508 PolarHBondContact O-N 2.99Å; F505-I508 PolarHBondContact O-N 3.46Å; I508-F510 PolarHBondContact O-N 3.37Å; I508-G511 PolarHBondContact O-N 3.02Å; I508-L512 HydrophobicContact CG2-CD1 3.65Å; I508-L512 HydrophobicContact CG2-CG 3.95Å; I508-L512 WeakPolarHBondContact O-CG 3Å; I508-L512 PolarHBondContact O-N 3.3Å
509	L	90.4	Very high	86.3	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-32.4	178.8	-173.6	66.2	0	0	0	112.5	V258 Y324 F505 G511 L512 H576	V258-L509 HydrophobicContact CG2-CD2 3.82Å; Y324-L509 HydrophobicContact CD2-CB 4.31Å; Y324-L509 HydrophobicContact CD2-CD2 4.2Å; Y324-L509 HydrophobicContact CD2-CG 4.09Å; Y324-L509 HydrophobicContact CE2-CG 4.22Å; F505-L509 WeakPolarHBondContact O-CB 3.38Å; F505-L509 PolarHBondContact O-N 2.8Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-L512 PolarHBondContact O-N 3.08Å; L509-H576 HydrophobicContact CD1-CB 4.35Å
510	F	88.7	Confident	85.9	Confident	47 Å²	47	60 Å²	60	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-34.1	175.5	178.8	-105.4	0	0	0	112.9	Y324 L327 G328 R331 G506 Y507 I508	Y324-F510 HydrophobicContact CD2-CB 3.91Å; Y324-F510 HydrophobicContact CD2-CD2 4.35Å; Y324-F510 HydrophobicContact CE2-CB 4.45Å; Y324-F510 HydrophobicContact CE2-CD2 4.44Å; L327-F510 HydrophobicContact CB-CD1 3.88Å; L327-F510 HydrophobicContact CB-CD2 4.07Å; L327-F510 HydrophobicContact CB-CE1 4.07Å; L327-F510 HydrophobicContact CB-CE2 4.27Å; L327-F510 HydrophobicContact CB-CG 3.87Å; L327-F510 HydrophobicContact CB-CZ 4.25Å; L327-F510 HydrophobicContact CD1-CB 4.08Å; L327-F510 HydrophobicContact CD1-CD1 4.2Å; L327-F510 HydrophobicContact CD1-CG 4.21Å; G328-F510 VanDerWaalsContact CA-CE2 3.45Å; R331-F510 HydrophobicContact CB-CZ 4.37Å; G506-F510 WeakPolarHBondContact O-CB 3.43Å; G506-F510 PolarHBondContact O-N 3.47Å; Y507-F510 WeakPolarHBondContact O-CB 3.34Å; Y507-F510 PolarHBondContact O-N 3.22Å; I508-F510 PolarHBondContact O-N 3.37Å
511	G	84.8	Confident	85.6	Confident	11 Å²	11	66.5 Å²	66.5	11%	0.113	32%	0.322	C	S	.	.	H	α-helix	trans	-87.4	-21	176.4	0	0	0	0	0	114.2	Y507 I508 L509 K513	Y507-G511 PolarHBondContact O-N 3.43Å; I508-G511 PolarHBondContact O-N 3.02Å; L509-G511 VanDerWaalsContact C-N 3.33Å; G511-K513 PolarHBondContact O-N 3.1Å
512	L	81.9	Confident	85.2	Confident	60 Å²	60	66.2 Å²	66.2	31%	0.314	32%	0.321	S	S	.	.			trans	-72.6	115	175	-72.9	174.6	0	0	0	110.1	I508 L509	I508-L512 HydrophobicContact CG2-CD1 3.65Å; I508-L512 HydrophobicContact CG2-CG 3.95Å; I508-L512 WeakPolarHBondContact O-CG 3Å; I508-L512 PolarHBondContact O-N 3.3Å; L509-L512 PolarHBondContact O-N 3.08Å
513	K	66.7	Low	85	Confident	95 Å²	95	71.2 Å²	71.2	41%	0.413	34%	0.344	S	S	.	.			trans	-79.1	151.1	160.2	-63.2	-167.5	-175.1	-154.8	0	108.5	G511 H515 E684	G511-K513 PolarHBondContact O-N 3.1Å; K513-H515 VanDerWaalsContact CB-CD2 3.46Å; K513-H515 WeakPolarHBondContact CB-CD2 3.43Å; K513-H515 PolarHBondContact O-N 2.86Å; K513-E684 IonicContact NZ-OE2 3.51Å; K513-E684 PolarHBondContact NZ-OE2 3.5Å
514	Q	64.5	Low	84.8	Confident	145 Å²	145	76.5 Å²	76.5	68%	0.678	37%	0.372	S	S	*	.			trans	-64.8	71.6	167.5	-72.8	-178.2	-21.8	0	0	109.7
515	H	57.6	Low	84.7	Confident	134 Å²	134	74 Å²	74	62%	0.62	37%	0.366	S	S	*	.			trans	-96.2	151.1	170.7	-76.2	-55.7	0	0	0	109.5	K513 V517	K513-H515 VanDerWaalsContact CB-CD2 3.46Å; K513-H515 WeakPolarHBondContact CB-CD2 3.43Å; K513-H515 PolarHBondContact O-N 2.86Å; H515-V517 PolarHBondContact O-N 3.27Å
516	N	63.5	Low	84.6	Confident	170 Å²	170	74.7 Å²	74.7	91%	0.909	37%	0.372	S	S	*	.			trans	-56.8	69.4	-179.4	-74.5	-24.9	0	0	0	113	R518	N516-R518 PolarHBondContact O-N 2.87Å
517	V	80.1	Confident	84.6	Confident	59 Å²	59	77.5 Å²	77.5	36%	0.358	40%	0.395	S	S	.	.			trans	-61.3	131.4	166.3	179.8	0	0	0	0	106.9	H515 Y521 C577	H515-V517 PolarHBondContact O-N 3.27Å; V517-Y521 HydrophobicContact CG1-CD2 4.34Å; V517-C577 HydrophobicContact CB-CB 4.19Å; V517-C577 HydrophobicContact CG2-CB 4.18Å
518	R	84.9	Confident	84.8	Confident	174 Å²	174	80.7 Å²	80.7	66%	0.657	41%	0.413	S	S	*	.			trans	-56.2	133.3	178.9	-65.7	-177.7	177.4	174.2	-2.3	109.4	N516 V520 Y521	N516-R518 PolarHBondContact O-N 2.87Å; R518-V520 PolarHBondContact O-N 2.85Å; R518-Y521 HydrophobicContact CB-CD2 3.82Å; R518-Y521 HydrophobicContact CB-CE2 4.08Å; R518-Y521 HydrophobicContact CG-CE2 4.38Å; R518-Y521 PolarHBondContact O-N 3.08Å
519	P	85	Confident	85	Confident	74 Å²	74	77.9 Å²	77.9	48%	0.481	40%	0.398	S	S	.	.	H	α-helix	trans	-52.1	-33.4	-178.4	-29.8	35	0	0	0	113.9	Y521 C522 H523	P519-Y521 VanDerWaalsContact C-N 3.34Å; P519-Y521 PolarHBondContact O-N 3.37Å; P519-C522 WeakPolarHBondContact O-CB 3.14Å; P519-C522 PolarHBondContact O-N 2.89Å; P519-H523 PolarHBondContact O-CD2 2.81Å; P519-H523 PolarHBondContact O-N 2.87Å
520	V	89.4	Confident	85.2	Confident	107 Å²	107	80.4 Å²	80.4	65%	0.648	41%	0.414	S	S	*	.	H	α-helix	trans	-54.2	-45.7	177.4	-179.9	0	0	0	0	112.2	R518 C522 H523 L524	R518-V520 PolarHBondContact O-N 2.85Å; V520-C522 VanDerWaalsContact C-N 3.3Å; V520-C522 PolarHBondContact O-N 2.66Å; V520-H523 PolarHBondContact O-N 2.71Å; V520-L524 WeakPolarHBondContact O-CB 3.28Å; V520-L524 PolarHBondContact O-N 3.25Å
521	Y	90.9	Very high	85.6	Confident	138 Å²	138	83 Å²	83	54%	0.541	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-33.3	178.7	-63.1	-61.2	0	0	0	112.1	V517 R518 P519 A525	V517-Y521 HydrophobicContact CG1-CD2 4.34Å; R518-Y521 HydrophobicContact CB-CD2 3.82Å; R518-Y521 HydrophobicContact CB-CE2 4.08Å; R518-Y521 HydrophobicContact CG-CE2 4.38Å; R518-Y521 PolarHBondContact O-N 3.08Å; P519-Y521 VanDerWaalsContact C-N 3.34Å; P519-Y521 PolarHBondContact O-N 3.37Å; Y521-A525 VanDerWaalsContact O-CB 3.28Å; Y521-A525 WeakPolarHBondContact O-CB 3.31Å; Y521-A525 PolarHBondContact O-N 3.35Å
522	C	90.8	Very high	86.2	Confident	5 Å²	5	84.1 Å²	84.1	3%	0.034	43%	0.433	C	S	.	.	H	α-helix	trans	-70	-39.2	176.3	-59.6	0	0	0	0	111.4	P519 V520 T526 A574 C577 N578	P519-C522 WeakPolarHBondContact O-CB 3.14Å; P519-C522 PolarHBondContact O-N 2.89Å; V520-C522 VanDerWaalsContact C-N 3.3Å; V520-C522 PolarHBondContact O-N 2.66Å; C522-T526 WeakPolarHBondContact O-CB 3.41Å; C522-T526 PolarHBondContact O-N 2.92Å; C522-T526 PolarHBondContact O-OG1 3.02Å; C522-A574 HydrophobicContact CB-CB 4.33Å; C522-A574 VanDerWaalsContact O-CB 3.32Å; C522-A574 WeakPolarHBondContact O-CB 3.43Å; C522-C577 VanDerWaalsContact SG-CB 3.55Å; C522-N578 HydrophobicContact CB-CB 3.67Å
523	H	92.2	Very high	86.9	Confident	104 Å²	104	81.9 Å²	81.9	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-65.9	-42.3	173.9	-70.6	-60	0	0	0	111.8	P519 V520 T526 A527	P519-H523 PolarHBondContact O-CD2 2.81Å; P519-H523 PolarHBondContact O-N 2.87Å; V520-H523 PolarHBondContact O-N 2.71Å; H523-T526 WeakPolarHBondContact O-CB 3.39Å; H523-T526 PolarHBondContact O-N 3.37Å; H523-A527 WeakPolarHBondContact O-CB 3.41Å; H523-A527 PolarHBondContact O-N 2.89Å
524	L	94.2	Very high	88.3	Confident	112 Å²	112	79.6 Å²	79.6	59%	0.586	42%	0.416	S	S	*	.	H	α-helix	trans	-63.7	-45.2	175.6	-176.7	62.3	0	0	0	111.8	V520 T526 A527 L528	V520-L524 WeakPolarHBondContact O-CB 3.28Å; V520-L524 PolarHBondContact O-N 3.25Å; L524-T526 VanDerWaalsContact C-N 3.29Å; L524-T526 PolarHBondContact O-N 3.14Å; L524-A527 PolarHBondContact O-N 3.39Å; L524-L528 WeakPolarHBondContact O-CB 3.13Å; L524-L528 PolarHBondContact O-N 2.05Å
525	A	94.2	Very high	89.7	Confident	22 Å²	22	76 Å²	76	18%	0.182	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-39.9	175.4	0	0	0	0	0	111.7	Y521 G529 L570 A574	Y521-A525 VanDerWaalsContact O-CB 3.28Å; Y521-A525 WeakPolarHBondContact O-CB 3.31Å; Y521-A525 PolarHBondContact O-N 3.35Å; A525-G529 PolarHBondContact O-N 2.78Å; A525-L570 HydrophobicContact CB-CD2 4.31Å; A525-A574 HydrophobicContact CB-CB 4.26Å
526	T	94.5	Very high	91.4	Very high	28 Å²	28	69.7 Å²	69.7	17%	0.172	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-49.9	174.5	-60.6	0	0	0	0	111.5	C522 H523 L524 G529 V530 A574 L583	C522-T526 WeakPolarHBondContact O-CB 3.41Å; C522-T526 PolarHBondContact O-N 2.92Å; C522-T526 PolarHBondContact O-OG1 3.02Å; H523-T526 WeakPolarHBondContact O-CB 3.39Å; H523-T526 PolarHBondContact O-N 3.37Å; L524-T526 VanDerWaalsContact C-N 3.29Å; L524-T526 PolarHBondContact O-N 3.14Å; T526-G529 PolarHBondContact O-N 3.4Å; T526-V530 HydrophobicContact CG2-CG2 4.45Å; T526-V530 WeakPolarHBondContact O-CG2 3.49Å; T526-V530 PolarHBondContact O-N 3.45Å; T526-A574 WeakPolarHBondContact OG1-CB 3.19Å; T526-L583 HydrophobicContact CG2-CD1 3.26Å; T526-L583 HydrophobicContact CG2-CG 4.16Å
527	A	95.6	Very high	92.8	Very high	60 Å²	60	62.1 Å²	62.1	50%	0.496	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-45.7	-179.5	0	0	0	0	0	111.5	H523 L524 V530 L531	H523-A527 WeakPolarHBondContact O-CB 3.41Å; H523-A527 PolarHBondContact O-N 2.89Å; L524-A527 PolarHBondContact O-N 3.39Å; A527-V530 PolarHBondContact O-N 2.94Å; A527-L531 VanDerWaalsContact O-CB 3.3Å; A527-L531 WeakPolarHBondContact O-CB 2.99Å; A527-L531 PolarHBondContact O-N 2.64Å
528	L	97.3	Very high	93.5	Very high	81 Å²	81	61.2 Å²	61.2	42%	0.424	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.6	-178.6	60.5	0	0	0	111.6	L524 L531 L532 L570	L524-L528 WeakPolarHBondContact O-CB 3.13Å; L524-L528 PolarHBondContact O-N 2.05Å; L528-L531 WeakPolarHBondContact O-CB 3.49Å; L528-L531 PolarHBondContact O-N 3.45Å; L528-L532 HydrophobicContact CD1-CG 4.41Å; L528-L532 HydrophobicContact CG-CD1 4.46Å; L528-L532 WeakPolarHBondContact O-CG 3.46Å; L528-L532 PolarHBondContact O-N 3.39Å; L528-L570 HydrophobicContact CB-CD1 4.32Å; L528-L570 HydrophobicContact CD2-CD1 3.89Å; L528-L570 HydrophobicContact CG-CD1 3.9Å
529	G	97.1	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-41.4	179.4	0	0	0	0	0	113	A525 T526 N533 G567	A525-G529 PolarHBondContact O-N 2.78Å; T526-G529 PolarHBondContact O-N 3.4Å; G529-N533 PolarHBondContact O-N 3.35Å; G529-N533 PolarHBondContact O-ND2 2.89Å; G529-G567 WeakPolarHBondContact CA-O 3.23Å; G529-G567 WeakPolarHBondContact O-CA 3.27Å
530	V	95.9	Very high	94.1	Very high	63 Å²	63	51 Å²	51	38%	0.382	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-44.9	172.7	171.5	0	0	0	0	110.5	T526 A527 L532 N533 C534 I571	T526-V530 HydrophobicContact CG2-CG2 4.45Å; T526-V530 WeakPolarHBondContact O-CG2 3.49Å; T526-V530 PolarHBondContact O-N 3.45Å; A527-V530 PolarHBondContact O-N 2.94Å; V530-L532 PolarHBondContact O-N 3.32Å; V530-N533 PolarHBondContact O-N 2.8Å; V530-C534 WeakPolarHBondContact O-CB 3.04Å; V530-C534 PolarHBondContact O-N 2.77Å; V530-C534 PolarHBondContact O-SG 3.06Å; V530-I571 HydrophobicContact CG2-CD1 4.12Å
531	L	97.2	Very high	94.2	Very high	102 Å²	102	47.9 Å²	47.9	53%	0.534	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-48.4	177.4	178.7	63.9	0	0	0	111.7	A527 L528 N533 C534 V535	A527-L531 VanDerWaalsContact O-CB 3.3Å; A527-L531 WeakPolarHBondContact O-CB 2.99Å; A527-L531 PolarHBondContact O-N 2.64Å; L528-L531 WeakPolarHBondContact O-CB 3.49Å; L528-L531 PolarHBondContact O-N 3.45Å; L531-N533 VanDerWaalsContact C-N 3.33Å; L531-N533 PolarHBondContact O-N 2.74Å; L531-C534 PolarHBondContact O-N 3.22Å; L531-V535 HydrophobicContact CD1-CG2 4.29Å; L531-V535 HydrophobicContact CG-CG2 4.5Å; L531-V535 VanDerWaalsContact O-CG2 3.31Å; L531-V535 WeakPolarHBondContact O-CG2 3.45Å; L531-V535 PolarHBondContact O-N 3.02Å
532	L	97.2	Very high	94.2	Very high	34 Å²	34	49 Å²	49	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-43.1	178.4	-71.7	177.4	0	0	0	112.3	L528 V530 V535 C536 L563 L566 L570	L528-L532 HydrophobicContact CD1-CG 4.41Å; L528-L532 HydrophobicContact CG-CD1 4.46Å; L528-L532 WeakPolarHBondContact O-CG 3.46Å; L528-L532 PolarHBondContact O-N 3.39Å; V530-L532 PolarHBondContact O-N 3.32Å; L532-V535 PolarHBondContact O-N 2.03Å; L532-C536 PolarHBondContact O-N 3.04Å; L532-C536 VanDerWaalsContact O-N 3.08Å; L532-C536 PolarHBondContact O-SG 2.9Å; L532-L563 HydrophobicContact CD2-CD2 4.22Å; L532-L566 HydrophobicContact CD1-CB 4.11Å; L532-L570 HydrophobicContact CD1-CD1 4.08Å
533	N	96.1	Very high	94.1	Very high	12 Å²	12	49 Å²	49	6%	0.064	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-41.3	177.2	-73	-21	0	0	0	111.9	G529 V530 L531 C536 L537 W564	G529-N533 PolarHBondContact O-N 3.35Å; G529-N533 PolarHBondContact O-ND2 2.89Å; V530-N533 PolarHBondContact O-N 2.8Å; L531-N533 VanDerWaalsContact C-N 3.33Å; L531-N533 PolarHBondContact O-N 2.74Å; N533-C536 PolarHBondContact O-N 2.97Å; N533-L537 WeakPolarHBondContact O-CG 3.44Å; N533-L537 PolarHBondContact O-N 3.49Å; N533-W564 HydrophobicContact CB-CE3 3.96Å; N533-W564 HydrophobicContact CB-CH2 4.42Å; N533-W564 HydrophobicContact CB-CZ3 3.69Å; N533-W564 PolarHBondContact OD1-O 2.81Å
534	C	95.2	Very high	93.9	Very high	47 Å²	47	45.2 Å²	45.2	32%	0.318	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-41.9	175.1	-72.5	0	0	0	0	111.8	V530 L531 C536 L537 F538	V530-C534 WeakPolarHBondContact O-CB 3.04Å; V530-C534 PolarHBondContact O-N 2.77Å; V530-C534 PolarHBondContact O-SG 3.06Å; L531-C534 PolarHBondContact O-N 3.22Å; C534-C536 PolarHBondContact O-N 3.38Å; C534-L537 PolarHBondContact O-N 3.34Å; C534-F538 HydrophobicContact CB-CD2 4.03Å; C534-F538 HydrophobicContact CB-CE2 4.31Å; C534-F538 WeakPolarHBondContact O-CB 3.44Å; C534-F538 VanDerWaalsContact O-CD2 3.25Å; C534-F538 WeakPolarHBondContact O-CD2 3.25Å; C534-F538 PolarHBondContact O-N 3.09Å
535	V	94.5	Very high	93.6	Very high	70 Å²	70	44 Å²	44	42%	0.424	24%	0.238	S	C	.	.	H	α-helix	trans	-58.4	-49.1	174.8	168.7	0	0	0	0	110	L531 L532 L537 S539	L531-V535 HydrophobicContact CD1-CG2 4.29Å; L531-V535 HydrophobicContact CG-CG2 4.5Å; L531-V535 VanDerWaalsContact O-CG2 3.31Å; L531-V535 WeakPolarHBondContact O-CG2 3.45Å; L531-V535 PolarHBondContact O-N 3.02Å; L532-V535 PolarHBondContact O-N 2.03Å; V535-L537 VanDerWaalsContact C-N 3.32Å; V535-L537 PolarHBondContact O-N 3.31Å; V535-S539 WeakPolarHBondContact O-CB 3.33Å; V535-S539 PolarHBondContact O-N 3.45Å; V535-S539 PolarHBondContact O-OG 3.11Å
536	C	94.3	Very high	93.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-42	178.3	-63.3	0	0	0	0	112.5	F309 L532 N533 C534 Y556 W564	F309-C536 HydrophobicContact CD1-CB 4.43Å; F309-C536 HydrophobicContact CE1-CB 4.17Å; F309-C536 HydrophobicContact CE2-CB 4.26Å; F309-C536 WeakPolarHBondContact CE2-O 3.45Å; F309-C536 HydrophobicContact CZ-CB 4.08Å; L532-C536 PolarHBondContact O-N 3.04Å; L532-C536 VanDerWaalsContact O-N 3.08Å; L532-C536 PolarHBondContact O-SG 2.9Å; N533-C536 PolarHBondContact O-N 2.97Å; C534-C536 PolarHBondContact O-N 3.38Å; C536-Y556 VanDerWaalsContact O-CE2 3.32Å; C536-Y556 WeakPolarHBondContact O-CE2 3.42Å; C536-Y556 PolarHBondContact O-OH 2.92Å; C536-W564 HydrophobicContact CB-CE3 4.03Å
537	L	92.9	Very high	92.9	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-45.7	-176.6	-77.9	167.9	0	0	0	113.3	W271 Q302 Y303 N306 F309 N533 C534 V535 W564	W271-L537 HydrophobicContact CH2-CD1 4.49Å; W271-L537 HydrophobicContact CH2-CD2 3.92Å; W271-L537 HydrophobicContact CZ2-CD2 3.92Å; Q302-L537 PolarHBondContact OE1-O 2.8Å; Y303-L537 HydrophobicContact CD2-CD1 4.19Å; N306-L537 PolarHBondContact ND2-O 3.47Å; F309-L537 HydrophobicContact CB-CD2 4.49Å; F309-L537 HydrophobicContact CD2-CD2 4.09Å; N533-L537 WeakPolarHBondContact O-CG 3.44Å; N533-L537 PolarHBondContact O-N 3.49Å; C534-L537 PolarHBondContact O-N 3.34Å; V535-L537 VanDerWaalsContact C-N 3.32Å; V535-L537 PolarHBondContact O-N 3.31Å; L537-W564 HydrophobicContact CD1-CH2 3.95Å; L537-W564 HydrophobicContact CD1-CZ3 3.76Å; L537-W564 HydrophobicContact CD2-CH2 4.45Å; L537-W564 HydrophobicContact CD2-CZ3 4.26Å; L537-W564 HydrophobicContact CG-CH2 4.21Å; L537-W564 HydrophobicContact CG-CZ3 3.7Å
538	F	93.5	Very high	92.4	Very high	41 Å²	41	52.9 Å²	52.9	18%	0.18	27%	0.265	C	S	.	.	H	α-helix	trans	-104.5	-14.2	-164	-60.6	-61.5	0	0	0	114.5	F299 L300 Q302 C534 I540 Y541	F299-F538 HydrophobicContact CD1-CD1 4.41Å; F299-F538 HydrophobicContact CE1-CB 4.18Å; F299-F538 AromaticContact CE1-CD1 3.9Å; F299-F538 HydrophobicContact CE1-CD1 3.9Å; F299-F538 HydrophobicContact CE1-CE1 4.47Å; F299-F538 HydrophobicContact CE1-CG 4Å; F299-F538 HydrophobicContact CE2-CB 4.2Å; F299-F538 HydrophobicContact CZ-CB 3.59Å; F299-F538 HydrophobicContact CZ-CD1 4.09Å; F299-F538 AromaticContact CZ-CG 3.94Å; F299-F538 HydrophobicContact CZ-CG 3.94Å; L300-F538 HydrophobicContact CD2-CE1 4.19Å; L300-F538 HydrophobicContact CD2-CZ 4.17Å; Q302-F538 HydrophobicContact CB-CD1 3.89Å; Q302-F538 HydrophobicContact CB-CE1 4.12Å; Q302-F538 PolarHBondContact OE1-O 3.36Å; C534-F538 HydrophobicContact CB-CD2 4.03Å; C534-F538 HydrophobicContact CB-CE2 4.31Å; C534-F538 WeakPolarHBondContact O-CB 3.44Å; C534-F538 VanDerWaalsContact O-CD2 3.25Å; C534-F538 WeakPolarHBondContact O-CD2 3.25Å; C534-F538 PolarHBondContact O-N 3.09Å; F538-I540 PolarHBondContact O-N 3.35Å; F538-Y541 WeakPolarHBondContact O-CB 3.16Å; F538-Y541 PolarHBondContact O-N 2.98Å
539	S	92.4	Very high	92.1	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	-179.2	69.8	0	0	0	0	113.1	V535 Y541 F552 Y556	V535-S539 WeakPolarHBondContact O-CB 3.33Å; V535-S539 PolarHBondContact O-N 3.45Å; V535-S539 PolarHBondContact O-OG 3.11Å; S539-Y541 VanDerWaalsContact C-N 3.26Å; S539-Y541 PolarHBondContact O-N 3.19Å; S539-F552 WeakPolarHBondContact O-CZ 3.45Å; S539-Y556 WeakPolarHBondContact OG-CD2 3.47Å; S539-Y556 WeakPolarHBondContact OG-CE2 3.18Å
540	I	91.6	Very high	91.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.9	-178.4	-156.4	68.4	0	0	0	113.4	N306 P465 M468 I473 F538 W542 T543 V544 F552 Y556	N306-I540 WeakPolarHBondContact ND2-CG2 3.4Å; P465-I540 HydrophobicContact CB-CD1 3.77Å; P465-I540 HydrophobicContact CG-CD1 3.37Å; P465-I540 HydrophobicContact CG-CG1 4.47Å; M468-I540 HydrophobicContact CE-CG1 4.13Å; M468-I540 HydrophobicContact CE-CG2 4.4Å; M468-I540 HydrophobicContact SD-CG2 4.27Å; I473-I540 HydrophobicContact CD1-CD1 4.32Å; I473-I540 HydrophobicContact CD1-CG1 3.99Å; F538-I540 PolarHBondContact O-N 3.35Å; I540-W542 VanDerWaalsContact C-N 3.26Å; I540-W542 PolarHBondContact O-N 3.33Å; I540-T543 HydrophobicContact CD1-CG2 4.41Å; I540-T543 WeakPolarHBondContact O-CB 3.48Å; I540-T543 PolarHBondContact O-N 2.97Å; I540-V544 PolarHBondContact O-N 2.87Å; I540-F552 HydrophobicContact CD1-CE1 4.24Å; I540-Y556 HydrophobicContact CB-CE2 4.23Å; I540-Y556 HydrophobicContact CD1-CD1 4.1Å; I540-Y556 HydrophobicContact CD1-CD2 4.49Å; I540-Y556 HydrophobicContact CD1-CE1 3.99Å; I540-Y556 HydrophobicContact CD1-CE2 4.4Å; I540-Y556 HydrophobicContact CD1-CG 4.32Å; I540-Y556 HydrophobicContact CG1-CE1 4.49Å
541	Y	91.1	Very high	91.7	Very high	42 Å²	42	55.6 Å²	55.6	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-47.8	-47.6	-179.3	-175.2	-106.5	0	0	0	113.3	F299 F538 S539 T543 V544 H545	F299-Y541 HydrophobicContact CB-CD2 4.43Å; F299-Y541 HydrophobicContact CB-CE2 4.08Å; F299-Y541 AromaticContact CD2-CD1 3.96Å; F299-Y541 HydrophobicContact CD2-CD1 3.96Å; F299-Y541 AromaticContact CD2-CD2 3.58Å; F299-Y541 HydrophobicContact CD2-CD2 3.58Å; F299-Y541 HydrophobicContact CD2-CE1 4.3Å; F299-Y541 AromaticContact CD2-CE2 3.92Å; F299-Y541 HydrophobicContact CD2-CE2 3.92Å; F299-Y541 AromaticContact CD2-CG 3.58Å; F299-Y541 HydrophobicContact CD2-CG 3.58Å; F299-Y541 HydrophobicContact CE2-CD1 4.33Å; F299-Y541 HydrophobicContact CE2-CD2 4.34Å; F299-Y541 AromaticContact CE2-CG 3.95Å; F299-Y541 HydrophobicContact CE2-CG 3.95Å; F299-Y541 HydrophobicContact CG-CD2 4.43Å; F538-Y541 WeakPolarHBondContact O-CB 3.16Å; F538-Y541 PolarHBondContact O-N 2.98Å; S539-Y541 VanDerWaalsContact C-N 3.26Å; S539-Y541 PolarHBondContact O-N 3.19Å; Y541-T543 VanDerWaalsContact C-N 3.33Å; Y541-T543 PolarHBondContact O-N 3.49Å; Y541-V544 WeakPolarHBondContact O-CB 2.9Å; Y541-V544 PolarHBondContact O-N 3.12Å; Y541-H545 AromaticContact CD2-CE1 3.77Å; Y541-H545 AromaticContact CD2-ND1 3.96Å; Y541-H545 AromaticContact CE1-ND1 3.93Å; Y541-H545 AromaticContact CE2-CE1 3.23Å; Y541-H545 WeakPolarHBondContact CE2-CE1 3.34Å; Y541-H545 AromaticContact CE2-ND1 3.78Å; Y541-H545 AromaticContact CZ-CE1 3.37Å; Y541-H545 AromaticContact CZ-ND1 3.75Å; Y541-H545 AromaticContact CZ-NE2 3.91Å; Y541-H545 PolarHBondContact O-N 3.26Å; Y541-H545 PolarHBondContact O-ND1 2.9Å
542	W	89.8	Confident	91.6	Very high	162 Å²	162	53.2 Å²	53.2	61%	0.614	28%	0.28	S	S	*	.	H	α-helix	trans	-66.9	-36.3	-177.7	-58.8	110.8	0	0	0	111.7	I540 V544 H545 G546 W547	I540-W542 VanDerWaalsContact C-N 3.26Å; I540-W542 PolarHBondContact O-N 3.33Å; W542-V544 VanDerWaalsContact C-N 3.34Å; W542-H545 CarbonylContact O-C 3.47Å; W542-H545 PolarHBondContact O-N 3.23Å; W542-H545 VanDerWaalsContact O-N 3.13Å; W542-G546 PolarHBondContact O-N 3.36Å; W542-W547 HydrophobicContact CB-CB 3.89Å; W542-W547 HydrophobicContact CB-CD2 4.36Å; W542-W547 HydrophobicContact CB-CE3 4.01Å; W542-W547 HydrophobicContact CB-CG 4.35Å; W542-W547 VanDerWaalsContact O-CB 3.27Å; W542-W547 WeakPolarHBondContact O-CB 3.22Å; W542-W547 PolarHBondContact O-N 3.28Å
543	T	89.6	Confident	91.4	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-35.1	176.2	-47.2	0	0	0	0	112.4	P465 I473 I540 Y541 H545 G546 W547	P465-T543 HydrophobicContact CG-CG2 3.94Å; I473-T543 HydrophobicContact CD1-CG2 4.05Å; I473-T543 HydrophobicContact CG2-CG2 4.26Å; I540-T543 HydrophobicContact CD1-CG2 4.41Å; I540-T543 WeakPolarHBondContact O-CB 3.48Å; I540-T543 PolarHBondContact O-N 2.97Å; Y541-T543 VanDerWaalsContact C-N 3.33Å; Y541-T543 PolarHBondContact O-N 3.49Å; T543-H545 PolarHBondContact O-N 3.04Å; T543-G546 PolarHBondContact O-N 2.03Å; T543-W547 VanDerWaalsContact CA-O 3.3Å; T543-W547 WeakPolarHBondContact CA-O 3.36Å
544	V	87.4	Confident	91.4	Very high	24 Å²	24	54 Å²	54	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-34.1	171.6	174	0	0	0	0	111.3	Y305 M468 V471 I473 I540 Y541 W542 G546	Y305-V544 HydrophobicContact CE2-CG2 4.38Å; M468-V544 HydrophobicContact CE-CG2 3.55Å; M468-V544 HydrophobicContact SD-CG2 4.48Å; V471-V544 HydrophobicContact CG1-CG1 3.6Å; I473-V544 HydrophobicContact CD1-CG2 4.22Å; I473-V544 HydrophobicContact CG1-CG2 4.07Å; I540-V544 PolarHBondContact O-N 2.87Å; Y541-V544 WeakPolarHBondContact O-CB 2.9Å; Y541-V544 PolarHBondContact O-N 3.12Å; W542-V544 VanDerWaalsContact C-N 3.34Å; V544-G546 VanDerWaalsContact C-N 3.33Å; V544-G546 PolarHBondContact O-N 3.44Å
545	H	88.3	Confident	91.4	Very high	87 Å²	87	53.9 Å²	53.9	40%	0.403	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	20.6	179.8	-65.8	79.1	0	0	0	113.7	S296 Y541 W542 T543	S296-H545 PolarHBondContact O-CE1 2.89Å; Y541-H545 AromaticContact CD2-CE1 3.77Å; Y541-H545 AromaticContact CD2-ND1 3.96Å; Y541-H545 AromaticContact CE1-ND1 3.93Å; Y541-H545 AromaticContact CE2-CE1 3.23Å; Y541-H545 WeakPolarHBondContact CE2-CE1 3.34Å; Y541-H545 AromaticContact CE2-ND1 3.78Å; Y541-H545 AromaticContact CZ-CE1 3.37Å; Y541-H545 AromaticContact CZ-ND1 3.75Å; Y541-H545 AromaticContact CZ-NE2 3.91Å; Y541-H545 PolarHBondContact O-N 3.26Å; Y541-H545 PolarHBondContact O-ND1 2.9Å; W542-H545 CarbonylContact O-C 3.47Å; W542-H545 PolarHBondContact O-N 3.23Å; W542-H545 VanDerWaalsContact O-N 3.13Å; T543-H545 PolarHBondContact O-N 3.04Å
546	G	85.5	Confident	91.4	Very high	45 Å²	45	51.2 Å²	51.2	46%	0.464	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	1.9	171	0	0	0	0	0	116.3	W542 T543 V544 R548	W542-G546 PolarHBondContact O-N 3.36Å; T543-G546 PolarHBondContact O-N 2.03Å; V544-G546 VanDerWaalsContact C-N 3.33Å; V544-G546 PolarHBondContact O-N 3.44Å; G546-R548 PolarHBondContact O-N 2.87Å
547	W	88.6	Confident	91.3	Very high	124 Å²	124	51.2 Å²	51.2	47%	0.47	27%	0.269	S	S	.	.			trans	-72	126.9	171.1	-179.5	69.3	0	0	0	110.9	W542 T543 F552	W542-W547 HydrophobicContact CB-CB 3.89Å; W542-W547 HydrophobicContact CB-CD2 4.36Å; W542-W547 HydrophobicContact CB-CE3 4.01Å; W542-W547 HydrophobicContact CB-CG 4.35Å; W542-W547 VanDerWaalsContact O-CB 3.27Å; W542-W547 WeakPolarHBondContact O-CB 3.22Å; W542-W547 PolarHBondContact O-N 3.28Å; T543-W547 VanDerWaalsContact CA-O 3.3Å; T543-W547 WeakPolarHBondContact CA-O 3.36Å; W547-F552 HydrophobicContact CE3-CD1 4.36Å; W547-F552 HydrophobicContact CH2-CB 3.78Å; W547-F552 HydrophobicContact CH2-CD1 4.19Å; W547-F552 HydrophobicContact CH2-CD2 4.03Å; W547-F552 AromaticContact CH2-CG 3.73Å; W547-F552 HydrophobicContact CH2-CG 3.73Å; W547-F552 HydrophobicContact CZ3-CB 3.97Å; W547-F552 AromaticContact CZ3-CD1 3.49Å; W547-F552 HydrophobicContact CZ3-CD1 3.49Å; W547-F552 VanDerWaalsContact CZ3-CD1 3.49Å; W547-F552 AromaticContact CZ3-CD2 3.92Å; W547-F552 HydrophobicContact CZ3-CD2 3.92Å; W547-F552 AromaticContact CZ3-CE1 3.87Å; W547-F552 HydrophobicContact CZ3-CE1 3.87Å; W547-F552 HydrophobicContact CZ3-CE2 4.26Å; W547-F552 AromaticContact CZ3-CG 3.5Å; W547-F552 HydrophobicContact CZ3-CG 3.5Å; W547-F552 HydrophobicContact CZ3-CZ 4.23Å
548	R	85	Confident	91.4	Very high	127 Å²	127	51 Å²	51	48%	0.479	27%	0.269	S	S	.	.			trans	-123	132.5	-176.3	-59.9	-168.1	70.4	-178.6	6.1	111.6	G476 G546	G476-R548 PolarHBondContact O-NH2 3.45Å; G546-R548 PolarHBondContact O-N 2.87Å
549	S	91.3	Very high	91.5	Very high	39 Å²	39	53 Å²	53	27%	0.273	28%	0.281	S	S	.	.			trans	-155.9	105.6	172.6	171.1	0	0	0	0	108.9	A551 F552 D553	S549-A551 PolarHBondContact O-N 2.84Å; S549-A551 VanDerWaalsContact O-N 3.08Å; S549-F552 WeakPolarHBondContact O-CA 3.29Å; S549-F552 WeakPolarHBondContact O-CB 3.31Å; S549-F552 PolarHBondContact O-N 2.86Å; S549-F552 PolarHBondContact OG-N 3Å; S549-D553 PolarHBondContact O-N 3.04Å
550	T	91.4	Very high	91.6	Very high	88 Å²	88	51.7 Å²	51.7	54%	0.54	27%	0.272	S	S	.	.	H	α-helix	trans	-52.1	-38.1	179.9	-47.2	0	0	0	0	111.9	Y459 D553 L554	Y459-T550 HydrophobicContact CD2-CG2 4.36Å; Y459-T550 HydrophobicContact CE2-CG2 4.28Å; T550-D553 PolarHBondContact O-N 3.46Å; T550-L554 HydrophobicContact CG2-CD1 3.97Å; T550-L554 HydrophobicContact CG2-CG 4.25Å; T550-L554 WeakPolarHBondContact O-CB 3.48Å; T550-L554 WeakPolarHBondContact O-CG 3.33Å; T550-L554 PolarHBondContact O-N 3.48Å
551	A	93.8	Very high	91.7	Very high	75 Å²	75	51.8 Å²	51.8	62%	0.62	27%	0.273	S	S	*	.	H	α-helix	trans	-64.1	-43.8	177.2	0	0	0	0	0	112.3	S549 A555	S549-A551 PolarHBondContact O-N 2.84Å; S549-A551 VanDerWaalsContact O-N 3.08Å; A551-A555 VanDerWaalsContact O-CB 3.23Å; A551-A555 WeakPolarHBondContact O-CB 3.47Å; A551-A555 PolarHBondContact O-N 3.12Å; A551-A555 VanDerWaalsContact O-N 3.08Å
552	F	94.7	Very high	92	Very high	52 Å²	52	50.3 Å²	50.3	23%	0.228	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-45.6	175.4	173.4	-95.7	0	0	0	111.3	S539 I540 W547 S549 L554 A555 Y556	S539-F552 WeakPolarHBondContact O-CZ 3.45Å; I540-F552 HydrophobicContact CD1-CE1 4.24Å; W547-F552 HydrophobicContact CE3-CD1 4.36Å; W547-F552 HydrophobicContact CH2-CB 3.78Å; W547-F552 HydrophobicContact CH2-CD1 4.19Å; W547-F552 HydrophobicContact CH2-CD2 4.03Å; W547-F552 AromaticContact CH2-CG 3.73Å; W547-F552 HydrophobicContact CH2-CG 3.73Å; W547-F552 HydrophobicContact CZ3-CB 3.97Å; W547-F552 AromaticContact CZ3-CD1 3.49Å; W547-F552 HydrophobicContact CZ3-CD1 3.49Å; W547-F552 VanDerWaalsContact CZ3-CD1 3.49Å; W547-F552 AromaticContact CZ3-CD2 3.92Å; W547-F552 HydrophobicContact CZ3-CD2 3.92Å; W547-F552 AromaticContact CZ3-CE1 3.87Å; W547-F552 HydrophobicContact CZ3-CE1 3.87Å; W547-F552 HydrophobicContact CZ3-CE2 4.26Å; W547-F552 AromaticContact CZ3-CG 3.5Å; W547-F552 HydrophobicContact CZ3-CG 3.5Å; W547-F552 HydrophobicContact CZ3-CZ 4.23Å; S549-F552 WeakPolarHBondContact O-CA 3.29Å; S549-F552 WeakPolarHBondContact O-CB 3.31Å; S549-F552 PolarHBondContact O-N 2.86Å; S549-F552 PolarHBondContact OG-N 3Å; F552-L554 PolarHBondContact O-N 3.12Å; F552-A555 PolarHBondContact O-N 3.06Å; F552-Y556 HydrophobicContact CZ-CD2 4.2Å; F552-Y556 VanDerWaalsContact O-CB 3.27Å; F552-Y556 WeakPolarHBondContact O-CB 3.33Å; F552-Y556 PolarHBondContact O-N 3.49Å
553	D	93.1	Very high	92.3	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-45.4	-176.2	-60.4	-41.8	0	0	0	111	P465 Y477 S549 T550 Y556 V557	P465-D553 HydrophobicContact CB-CB 4.1Å; P465-D553 HydrophobicContact CG-CB 4.37Å; Y477-D553 PolarHBondContact OH-OD1 3.23Å; Y477-D553 PolarHBondContact OH-OD2 2.87Å; S549-D553 PolarHBondContact O-N 3.04Å; T550-D553 PolarHBondContact O-N 3.46Å; D553-Y556 PolarHBondContact O-N 3.14Å; D553-V557 VanDerWaalsContact O-CG2 3.27Å; D553-V557 WeakPolarHBondContact O-CG2 3.39Å; D553-V557 PolarHBondContact O-N 3.42Å
554	L	94.7	Very high	92.6	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-41	176.4	-64.6	179.8	0	0	0	112.4	A455 Y459 T550 F552 Y556 G558	A455-L554 WeakPolarHBondContact O-CD2 3.18Å; Y459-L554 HydrophobicContact CD2-CD1 4.03Å; Y459-L554 HydrophobicContact CD2-CD2 4.32Å; Y459-L554 HydrophobicContact CG-CD2 4.5Å; T550-L554 HydrophobicContact CG2-CD1 3.97Å; T550-L554 HydrophobicContact CG2-CG 4.25Å; T550-L554 WeakPolarHBondContact O-CB 3.48Å; T550-L554 WeakPolarHBondContact O-CG 3.33Å; T550-L554 PolarHBondContact O-N 3.48Å; F552-L554 PolarHBondContact O-N 3.12Å; L554-Y556 VanDerWaalsContact C-N 3.32Å; L554-G558 PolarHBondContact O-N 3.26Å; L554-G558 VanDerWaalsContact O-N 3.08Å
555	A	95.1	Very high	93.1	Very high	44 Å²	44	44 Å²	44	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-42.9	174.7	0	0	0	0	0	111	A551 F552 L559	A551-A555 VanDerWaalsContact O-CB 3.23Å; A551-A555 WeakPolarHBondContact O-CB 3.47Å; A551-A555 PolarHBondContact O-N 3.12Å; A551-A555 VanDerWaalsContact O-N 3.08Å; F552-A555 PolarHBondContact O-N 3.06Å; A555-L559 HydrophobicContact CB-CD1 4.36Å; A555-L559 WeakPolarHBondContact O-CB 3.5Å; A555-L559 WeakPolarHBondContact O-CG 3.44Å; A555-L559 PolarHBondContact O-N 3.29Å
556	Y	95	Very high	93.5	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.059	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-51.6	179.4	-174.7	-86.3	0	0	0	111.5	N306 F309 P465 C536 S539 I540 F552 D553 L554 G558 S560	N306-Y556 PolarHBondContact ND2-OH 3.18Å; F309-Y556 WeakPolarHBondContact CE2-OH 3.15Å; F309-Y556 HydrophobicContact CZ-CE1 4.21Å; F309-Y556 AromaticContact CZ-CZ 3.95Å; P465-Y556 HydrophobicContact CB-CD1 3.84Å; P465-Y556 HydrophobicContact CB-CG 4.44Å; P465-Y556 WeakPolarHBondContact O-CD1 3.33Å; C536-Y556 VanDerWaalsContact O-CE2 3.32Å; C536-Y556 WeakPolarHBondContact O-CE2 3.42Å; C536-Y556 PolarHBondContact O-OH 2.92Å; S539-Y556 WeakPolarHBondContact OG-CD2 3.47Å; S539-Y556 WeakPolarHBondContact OG-CE2 3.18Å; I540-Y556 HydrophobicContact CB-CE2 4.23Å; I540-Y556 HydrophobicContact CD1-CD1 4.1Å; I540-Y556 HydrophobicContact CD1-CD2 4.49Å; I540-Y556 HydrophobicContact CD1-CE1 3.99Å; I540-Y556 HydrophobicContact CD1-CE2 4.4Å; I540-Y556 HydrophobicContact CD1-CG 4.32Å; I540-Y556 HydrophobicContact CG1-CE1 4.49Å; F552-Y556 HydrophobicContact CZ-CD2 4.2Å; F552-Y556 VanDerWaalsContact O-CB 3.27Å; F552-Y556 WeakPolarHBondContact O-CB 3.33Å; F552-Y556 PolarHBondContact O-N 3.49Å; D553-Y556 PolarHBondContact O-N 3.14Å; L554-Y556 VanDerWaalsContact C-N 3.32Å; Y556-G558 VanDerWaalsContact C-N 3.33Å; Y556-G558 PolarHBondContact O-N 3.37Å; Y556-S560 WeakPolarHBondContact O-CB 3.48Å; Y556-S560 PolarHBondContact O-N 3.2Å; Y556-S560 PolarHBondContact O-OG 2.67Å
557	V	93.6	Very high	94.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-48.5	178.9	169.3	0	0	0	0	111.5	K454 A458 P465 D553	K454-V557 HydrophobicContact CB-CG1 4.43Å; K454-V557 HydrophobicContact CD-CG1 4.18Å; K454-V557 WeakPolarHBondContact CD-O 3.03Å; K454-V557 HydrophobicContact CG-CG1 3.74Å; A458-V557 HydrophobicContact CB-CB 4.45Å; A458-V557 HydrophobicContact CB-CG1 3.82Å; A458-V557 HydrophobicContact CB-CG2 4.17Å; P465-V557 HydrophobicContact CB-CG2 4.01Å; P465-V557 VanDerWaalsContact O-CG2 3.23Å; P465-V557 WeakPolarHBondContact O-CG2 3.36Å; D553-V557 VanDerWaalsContact O-CG2 3.27Å; D553-V557 WeakPolarHBondContact O-CG2 3.39Å; D553-V557 PolarHBondContact O-N 3.42Å
558	G	94.4	Very high	94.5	Very high	5 Å²	5	36.3 Å²	36.3	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-74.8	-48.7	-173.8	0	0	0	0	0	112.9	C451 L554 Y556	C451-G558 PolarHBondContact SG-O 3.02Å; L554-G558 PolarHBondContact O-N 3.26Å; L554-G558 VanDerWaalsContact O-N 3.08Å; Y556-G558 VanDerWaalsContact C-N 3.33Å; Y556-G558 PolarHBondContact O-N 3.37Å
559	L	95.5	Very high	95	Very high	82 Å²	82	30.6 Å²	30.6	43%	0.429	18%	0.183	S	C	.	.	H	α-helix	trans	-87.5	-28.5	-170.4	-60.7	173.2	0	0	0	113.5	C451 A555 P561 V562 L563	C451-L559 HydrophobicContact CB-CD2 4.35Å; A555-L559 HydrophobicContact CB-CD1 4.36Å; A555-L559 WeakPolarHBondContact O-CB 3.5Å; A555-L559 WeakPolarHBondContact O-CG 3.44Å; A555-L559 PolarHBondContact O-N 3.29Å; L559-P561 VanDerWaalsContact C-CD 3.47Å; L559-V562 WeakPolarHBondContact O-CB 3.35Å; L559-V562 PolarHBondContact O-N 3.36Å; L559-L563 HydrophobicContact CB-CD1 4.13Å; L559-L563 HydrophobicContact CB-CG 4.33Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 3.18Å
560	S	94.7	Very high	95.3	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.035	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-37.9	-172	65.1	0	0	0	0	114.8	F309 Y556 V562 L563 W564	F309-S560 VanDerWaalsContact CE1-CB 3.47Å; F309-S560 WeakPolarHBondContact CE1-OG 3.44Å; F309-S560 VanDerWaalsContact CZ-CB 3.47Å; F309-S560 WeakPolarHBondContact CZ-OG 3.05Å; Y556-S560 WeakPolarHBondContact O-CB 3.48Å; Y556-S560 PolarHBondContact O-N 3.2Å; Y556-S560 PolarHBondContact O-OG 2.67Å; S560-V562 VanDerWaalsContact C-N 3.28Å; S560-V562 PolarHBondContact O-N 2.85Å; S560-L563 PolarHBondContact O-N 3.29Å; S560-W564 WeakPolarHBondContact O-CB 3.17Å; S560-W564 PolarHBondContact O-N 3.24Å
561	P	94	Very high	95.5	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-33.6	176	-19.9	34.6	0	0	0	112.5	K454 S498 L559 G565	K454-P561 HydrophobicContact CD-CG 4.31Å; K454-P561 VanDerWaalsContact NZ-CG 3.31Å; S498-P561 WeakPolarHBondContact CA-O 3.09Å; S498-P561 VanDerWaalsContact CB-O 3.3Å; S498-P561 WeakPolarHBondContact CB-O 3.29Å; L559-P561 VanDerWaalsContact C-CD 3.47Å; P561-G565 PolarHBondContact O-N 2.95Å; P561-G565 VanDerWaalsContact O-N 3.09Å
562	V	96.3	Very high	95.5	Very high	11 Å²	11	24 Å²	24	7%	0.067	13%	0.13	C	C	.	.	H	α-helix	trans	-72.1	-49.1	177.3	176	0	0	0	0	110.4	L447 C451 V501 L559 S560 W564 G565 L566	L447-V562 HydrophobicContact CD1-CB 4.31Å; L447-V562 HydrophobicContact CD1-CG1 3.88Å; L447-V562 HydrophobicContact CD1-CG2 3.5Å; L447-V562 HydrophobicContact CD2-CG1 3.98Å; L447-V562 HydrophobicContact CG-CG1 4.14Å; L447-V562 HydrophobicContact CG-CG2 4.14Å; C451-V562 VanDerWaalsContact SG-CG2 3.59Å; V501-V562 HydrophobicContact CG2-CG1 3.95Å; L559-V562 WeakPolarHBondContact O-CB 3.35Å; L559-V562 PolarHBondContact O-N 3.36Å; S560-V562 VanDerWaalsContact C-N 3.28Å; S560-V562 PolarHBondContact O-N 2.85Å; V562-W564 VanDerWaalsContact C-N 3.34Å; V562-W564 PolarHBondContact O-N 2.94Å; V562-G565 WeakPolarHBondContact O-CA 3.44Å; V562-G565 PolarHBondContact O-N 2.94Å; V562-G565 VanDerWaalsContact O-N 3.11Å; V562-L566 HydrophobicContact CG1-CD1 4.08Å; V562-L566 HydrophobicContact CG1-CG 4.46Å; V562-L566 WeakPolarHBondContact O-CG 3.27Å; V562-L566 PolarHBondContact O-N 3.24Å
563	L	96.6	Very high	95.4	Very high	54 Å²	54	23 Å²	23	28%	0.283	13%	0.129	S	C	.	.	H	α-helix	trans	-61.8	-41.6	178.8	-66.5	177.9	0	0	0	111.8	L532 L559 S560 G565 L566 G567	L532-L563 HydrophobicContact CD2-CD2 4.22Å; L559-L563 HydrophobicContact CB-CD1 4.13Å; L559-L563 HydrophobicContact CB-CG 4.33Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 3.18Å; S560-L563 PolarHBondContact O-N 3.29Å; L563-G565 VanDerWaalsContact C-N 3.32Å; L563-G565 PolarHBondContact O-N 2.64Å; L563-L566 HydrophobicContact CD2-CD1 4.43Å; L563-L566 PolarHBondContact O-N 3.21Å; L563-G567 PolarHBondContact O-N 3.28Å
564	W	96.5	Very high	95.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-44.3	172.1	-176.6	-95.9	0	0	0	111.9	W271 F309 A312 T313 N533 C536 L537 S560 V562 L566 G567 W568	W271-W564 AromaticContact CH2-CH2 3.67Å; W271-W564 HydrophobicContact CH2-CH2 3.67Å; W271-W564 AromaticContact CH2-CZ2 3.97Å; W271-W564 HydrophobicContact CH2-CZ2 3.97Å; W271-W564 AromaticContact CZ3-CH2 3.81Å; W271-W564 HydrophobicContact CZ3-CH2 3.81Å; W271-W564 AromaticContact CZ3-CZ2 3.77Å; W271-W564 HydrophobicContact CZ3-CZ2 3.77Å; F309-W564 HydrophobicContact CB-CD2 3.61Å; F309-W564 HydrophobicContact CB-CE3 3.71Å; F309-W564 HydrophobicContact CB-CG 4.24Å; F309-W564 HydrophobicContact CB-CH2 3.87Å; F309-W564 HydrophobicContact CB-CZ2 3.76Å; F309-W564 HydrophobicContact CB-CZ3 3.85Å; F309-W564 HydrophobicContact CD1-CB 3.93Å; F309-W564 AromaticContact CD1-CD2 3.99Å; F309-W564 HydrophobicContact CD1-CD2 3.99Å; F309-W564 HydrophobicContact CD1-CE3 4.11Å; F309-W564 AromaticContact CD1-CG 3.92Å; F309-W564 HydrophobicContact CD1-CG 3.92Å; F309-W564 HydrophobicContact CE1-CB 4.49Å; F309-W564 HydrophobicContact CG-CD2 4.03Å; F309-W564 AromaticContact CG-CE3 3.91Å; F309-W564 HydrophobicContact CG-CE3 3.91Å; F309-W564 HydrophobicContact CG-CG 4.43Å; F309-W564 HydrophobicContact CG-CZ3 4.32Å; F309-W564 PolarHBondContact O-NE1 2.75Å; A312-W564 VanDerWaalsContact CB-CD1 3.41Å; A312-W564 HydrophobicContact CB-CG 4.26Å; T313-W564 WeakPolarHBondContact OG1-CZ2 3.19Å; T313-W564 PolarHBondContact OG1-NE1 3.38Å; N533-W564 HydrophobicContact CB-CE3 3.96Å; N533-W564 HydrophobicContact CB-CH2 4.42Å; N533-W564 HydrophobicContact CB-CZ3 3.69Å; N533-W564 PolarHBondContact OD1-O 2.81Å; C536-W564 HydrophobicContact CB-CE3 4.03Å; L537-W564 HydrophobicContact CD1-CH2 3.95Å; L537-W564 HydrophobicContact CD1-CZ3 3.76Å; L537-W564 HydrophobicContact CD2-CH2 4.45Å; L537-W564 HydrophobicContact CD2-CZ3 4.26Å; L537-W564 HydrophobicContact CG-CH2 4.21Å; L537-W564 HydrophobicContact CG-CZ3 3.7Å; S560-W564 WeakPolarHBondContact O-CB 3.17Å; S560-W564 PolarHBondContact O-N 3.24Å; V562-W564 VanDerWaalsContact C-N 3.34Å; V562-W564 PolarHBondContact O-N 2.94Å; W564-L566 VanDerWaalsContact C-N 3.34Å; W564-L566 PolarHBondContact O-N 3.34Å; W564-G567 PolarHBondContact O-N 2.77Å; W564-W568 AromaticContact CD1-CD1 3.8Å; W564-W568 AromaticContact CE2-CD1 3.52Å; W564-W568 AromaticContact CE2-NE1 3.24Å; W564-W568 AromaticContact CH2-NE1 3.93Å; W564-W568 AromaticContact CZ2-CD1 3.95Å; W564-W568 AromaticContact CZ2-NE1 3.16Å; W564-W568 AromaticContact NE1-CD1 3.32Å; W564-W568 VanDerWaalsContact NE1-CD1 3.32Å; W564-W568 AromaticContact NE1-NE1 3.43Å; W564-W568 PolarHBondContact O-N 3.29Å; W564-W568 VanDerWaalsContact O-N 3.11Å
565	G	97	Very high	95.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-43.7	175.5	0	0	0	0	0	112.8	V501 P561 V562 L563 W568 A569	V501-G565 VanDerWaalsContact CG1-C 3.4Å; P561-G565 PolarHBondContact O-N 2.95Å; P561-G565 VanDerWaalsContact O-N 3.09Å; V562-G565 WeakPolarHBondContact O-CA 3.44Å; V562-G565 PolarHBondContact O-N 2.94Å; V562-G565 VanDerWaalsContact O-N 3.11Å; L563-G565 VanDerWaalsContact C-N 3.32Å; L563-G565 PolarHBondContact O-N 2.64Å; G565-W568 PolarHBondContact O-N 3.04Å; G565-A569 VanDerWaalsContact O-CB 3.31Å; G565-A569 WeakPolarHBondContact O-CB 3.44Å; G565-A569 PolarHBondContact O-N 3.43Å
566	L	97.5	Very high	94.9	Very high	71 Å²	71	19.7 Å²	19.7	37%	0.372	11%	0.106	S	C	.	.	H	α-helix	trans	-65.1	-41.5	177.5	-71.5	170.5	0	0	0	111	V501 L532 V562 L563 W564 W568 A569 L570	V501-L566 HydrophobicContact CG1-CD2 3.82Å; V501-L566 HydrophobicContact CG1-CG 4.08Å; V501-L566 HydrophobicContact CG2-CD2 4.38Å; V501-L566 HydrophobicContact CG2-CG 4.29Å; L532-L566 HydrophobicContact CD1-CB 4.11Å; V562-L566 HydrophobicContact CG1-CD1 4.08Å; V562-L566 HydrophobicContact CG1-CG 4.46Å; V562-L566 WeakPolarHBondContact O-CG 3.27Å; V562-L566 PolarHBondContact O-N 3.24Å; L563-L566 HydrophobicContact CD2-CD1 4.43Å; L563-L566 PolarHBondContact O-N 3.21Å; W564-L566 VanDerWaalsContact C-N 3.34Å; W564-L566 PolarHBondContact O-N 3.34Å; L566-W568 PolarHBondContact O-N 3.27Å; L566-A569 PolarHBondContact O-N 3.45Å; L566-L570 WeakPolarHBondContact O-CB 2.69Å; L566-L570 VanDerWaalsContact O-CG 3.3Å; L566-L570 WeakPolarHBondContact O-CG 3.5Å; L566-L570 PolarHBondContact O-N 2.9Å
567	G	97.7	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-50.5	176.9	0	0	0	0	0	112.1	G529 L563 W564 L570 I571	G529-G567 WeakPolarHBondContact CA-O 3.23Å; G529-G567 WeakPolarHBondContact O-CA 3.27Å; L563-G567 PolarHBondContact O-N 3.28Å; W564-G567 PolarHBondContact O-N 2.77Å; G567-L570 PolarHBondContact O-N 3.32Å; G567-I571 VanDerWaalsContact O-CG1 3.3Å; G567-I571 WeakPolarHBondContact O-CG1 3.44Å; G567-I571 PolarHBondContact O-N 3.16Å; G567-I571 VanDerWaalsContact O-N 3.1Å
568	W	96.5	Very high	94.2	Very high	23 Å²	23	21.2 Å²	21.2	9%	0.087	12%	0.117	C	C	.	.	H	α-helix	trans	-67.9	-38.7	175.6	-81.1	105.8	0	0	0	113.9	I264 T313 V316 W564 G565 L566 L570 I571 I572	I264-W568 HydrophobicContact CB-CZ3 4.32Å; I264-W568 HydrophobicContact CD1-CE3 4.03Å; I264-W568 HydrophobicContact CD1-CZ3 3.68Å; I264-W568 HydrophobicContact CG1-CE3 4.45Å; I264-W568 HydrophobicContact CG1-CH2 4.31Å; I264-W568 HydrophobicContact CG1-CZ3 3.68Å; I264-W568 HydrophobicContact CG2-CE3 4.11Å; I264-W568 HydrophobicContact CG2-CH2 3.91Å; I264-W568 HydrophobicContact CG2-CZ3 3.68Å; T313-W568 HydrophobicContact CG2-CD2 3.92Å; T313-W568 HydrophobicContact CG2-CG 4.18Å; T313-W568 HydrophobicContact CG2-CZ2 4.14Å; T313-W568 PolarHBondContact OG1-NE1 3.23Å; V316-W568 HydrophobicContact CG1-CB 4.19Å; W564-W568 AromaticContact CD1-CD1 3.8Å; W564-W568 AromaticContact CE2-CD1 3.52Å; W564-W568 AromaticContact CE2-NE1 3.24Å; W564-W568 AromaticContact CH2-NE1 3.93Å; W564-W568 AromaticContact CZ2-CD1 3.95Å; W564-W568 AromaticContact CZ2-NE1 3.16Å; W564-W568 AromaticContact NE1-CD1 3.32Å; W564-W568 VanDerWaalsContact NE1-CD1 3.32Å; W564-W568 AromaticContact NE1-NE1 3.43Å; W564-W568 PolarHBondContact O-N 3.29Å; W564-W568 VanDerWaalsContact O-N 3.11Å; G565-W568 PolarHBondContact O-N 3.04Å; L566-W568 PolarHBondContact O-N 3.27Å; W568-L570 VanDerWaalsContact C-N 3.31Å; W568-L570 PolarHBondContact O-N 2.96Å; W568-I571 HydrophobicContact CE3-CB 4.42Å; W568-I571 HydrophobicContact CE3-CD1 4.31Å; W568-I571 HydrophobicContact CE3-CG2 4.35Å; W568-I571 HydrophobicContact CZ3-CD1 4.47Å; W568-I571 HydrophobicContact CZ3-CG2 4.27Å; W568-I571 PolarHBondContact O-N 3.32Å; W568-I572 WeakPolarHBondContact O-CB 3.5Å; W568-I572 WeakPolarHBondContact O-CD1 3.41Å; W568-I572 WeakPolarHBondContact O-CG1 3.2Å; W568-I572 PolarHBondContact O-N 2.93Å
569	A	96.6	Very high	93.6	Very high	8 Å²	8	24.5 Å²	24.5	7%	0.066	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-43.4	175.7	0	0	0	0	0	111.5	V501 F505 G565 L566 C573	V501-A569 HydrophobicContact CG1-CB 4.23Å; F505-A569 HydrophobicContact CB-CB 3.92Å; F505-A569 HydrophobicContact CD1-CB 4.14Å; F505-A569 HydrophobicContact CD2-CB 3.99Å; F505-A569 WeakPolarHBondContact CE2-O 3.42Å; F505-A569 HydrophobicContact CG-CB 3.73Å; G565-A569 VanDerWaalsContact O-CB 3.31Å; G565-A569 WeakPolarHBondContact O-CB 3.44Å; G565-A569 PolarHBondContact O-N 3.43Å; L566-A569 PolarHBondContact O-N 3.45Å; A569-C573 WeakPolarHBondContact O-CB 3.25Å; A569-C573 PolarHBondContact O-N 3.08Å
570	L	96.4	Very high	93	Very high	50 Å²	50	29.2 Å²	29.2	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-63.9	-44.9	176	-72.1	171.5	0	0	0	112.3	A525 L528 L532 L566 G567 W568 C573 A574	A525-L570 HydrophobicContact CB-CD2 4.31Å; L528-L570 HydrophobicContact CB-CD1 4.32Å; L528-L570 HydrophobicContact CD2-CD1 3.89Å; L528-L570 HydrophobicContact CG-CD1 3.9Å; L532-L570 HydrophobicContact CD1-CD1 4.08Å; L566-L570 WeakPolarHBondContact O-CB 2.69Å; L566-L570 VanDerWaalsContact O-CG 3.3Å; L566-L570 WeakPolarHBondContact O-CG 3.5Å; L566-L570 PolarHBondContact O-N 2.9Å; G567-L570 PolarHBondContact O-N 3.32Å; W568-L570 VanDerWaalsContact C-N 3.31Å; W568-L570 PolarHBondContact O-N 2.96Å; L570-C573 PolarHBondContact O-N 3Å; L570-A574 WeakPolarHBondContact O-CB 3.46Å; L570-A574 PolarHBondContact O-N 3.25Å
571	I	95.5	Very high	92.5	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-47.5	177.4	-68.2	164.8	0	0	0	110.7	V530 G567 W568 C573 A574 C575 L583	V530-I571 HydrophobicContact CG2-CD1 4.12Å; G567-I571 VanDerWaalsContact O-CG1 3.3Å; G567-I571 WeakPolarHBondContact O-CG1 3.44Å; G567-I571 PolarHBondContact O-N 3.16Å; G567-I571 VanDerWaalsContact O-N 3.1Å; W568-I571 HydrophobicContact CE3-CB 4.42Å; W568-I571 HydrophobicContact CE3-CD1 4.31Å; W568-I571 HydrophobicContact CE3-CG2 4.35Å; W568-I571 HydrophobicContact CZ3-CD1 4.47Å; W568-I571 HydrophobicContact CZ3-CG2 4.27Å; W568-I571 PolarHBondContact O-N 3.32Å; I571-C573 VanDerWaalsContact C-N 3.34Å; I571-C573 PolarHBondContact O-N 3.45Å; I571-A574 PolarHBondContact O-N 3.08Å; I571-C575 PolarHBondContact O-N 2.99Å; I571-C575 PolarHBondContact O-SG 3.44Å; I571-C575 VanDerWaalsContact O-SG 3.38Å; I571-L583 HydrophobicContact CG2-CD1 4.16Å
572	I	94	Very high	92.2	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-41.1	179.8	-64	163.1	0	0	0	110.4	V258 L261 I264 F505 W568 C575 H576	V258-I572 HydrophobicContact CG1-CG2 4.07Å; L261-I572 HydrophobicContact CD2-CD1 3.9Å; L261-I572 HydrophobicContact CD2-CG1 4.25Å; L261-I572 HydrophobicContact CD2-CG2 4.34Å; I264-I572 HydrophobicContact CD1-CD1 4.46Å; I264-I572 HydrophobicContact CD1-CG1 3.82Å; F505-I572 HydrophobicContact CE1-CB 3.9Å; F505-I572 HydrophobicContact CE1-CG2 3.65Å; F505-I572 HydrophobicContact CZ-CB 3.98Å; F505-I572 HydrophobicContact CZ-CG2 3.78Å; W568-I572 WeakPolarHBondContact O-CB 3.5Å; W568-I572 WeakPolarHBondContact O-CD1 3.41Å; W568-I572 WeakPolarHBondContact O-CG1 3.2Å; W568-I572 PolarHBondContact O-N 2.93Å; I572-C575 PolarHBondContact O-N 3.32Å; I572-H576 WeakPolarHBondContact O-CB 3.47Å; I572-H576 PolarHBondContact O-N 2.91Å
573	C	92.6	Very high	91.8	Very high	31 Å²	31	37.7 Å²	37.7	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-47.4	174.8	-167.2	0	0	0	0	111.6	F505 A569 L570 I571 C575 H576 C577	F505-C573 HydrophobicContact CE2-CB 3.67Å; F505-C573 HydrophobicContact CZ-CB 4.09Å; A569-C573 WeakPolarHBondContact O-CB 3.25Å; A569-C573 PolarHBondContact O-N 3.08Å; L570-C573 PolarHBondContact O-N 3Å; I571-C573 VanDerWaalsContact C-N 3.34Å; I571-C573 PolarHBondContact O-N 3.45Å; C573-C575 VanDerWaalsContact C-N 3.34Å; C573-C575 PolarHBondContact O-N 3.32Å; C573-H576 WeakPolarHBondContact O-CB 3.42Å; C573-H576 PolarHBondContact O-N 3.42Å; C573-H576 VanDerWaalsContact O-N 3.13Å; C573-C577 WeakPolarHBondContact O-CB 3.1Å; C573-C577 PolarHBondContact O-N 2.88Å; C573-C577 PolarHBondContact O-SG 3.12Å; C573-C577 VanDerWaalsContact O-SG 3.38Å
574	A	92.2	Very high	91.5	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-40.6	178.3	0	0	0	0	0	112.2	C522 A525 T526 L570 I571 H576 C577 N578	C522-A574 HydrophobicContact CB-CB 4.33Å; C522-A574 VanDerWaalsContact O-CB 3.32Å; C522-A574 WeakPolarHBondContact O-CB 3.43Å; A525-A574 HydrophobicContact CB-CB 4.26Å; T526-A574 WeakPolarHBondContact OG1-CB 3.19Å; L570-A574 WeakPolarHBondContact O-CB 3.46Å; L570-A574 PolarHBondContact O-N 3.25Å; I571-A574 PolarHBondContact O-N 3.08Å; A574-H576 VanDerWaalsContact C-N 3.33Å; A574-C577 PolarHBondContact O-N 2.78Å; A574-N578 PolarHBondContact O-N 2.9Å
575	C	91	Very high	91.2	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-38.7	173.5	-71.7	0	0	0	0	112.4	C260 I571 I572 C573 N584	C260-C575 HydrophobicContact CB-CB 3.73Å; C260-C575 WeakPolarHBondContact SG-CB 3.31Å; I571-C575 PolarHBondContact O-N 2.99Å; I571-C575 PolarHBondContact O-SG 3.44Å; I571-C575 VanDerWaalsContact O-SG 3.38Å; I572-C575 PolarHBondContact O-N 3.32Å; C573-C575 VanDerWaalsContact C-N 3.34Å; C573-C575 PolarHBondContact O-N 3.32Å; C575-N584 HydrophobicContact CB-CB 4.04Å; C575-N584 PolarHBondContact O-OD1 3.22Å
576	H	88.6	Confident	90.9	Very high	29 Å²	29	42.1 Å²	42.1	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-40.8	177.9	-175.1	73	0	0	0	112.6	V258 L509 I572 C573 A574	V258-H576 HydrophobicContact CG1-CB 4.18Å; L509-H576 HydrophobicContact CD1-CB 4.35Å; I572-H576 WeakPolarHBondContact O-CB 3.47Å; I572-H576 PolarHBondContact O-N 2.91Å; C573-H576 WeakPolarHBondContact O-CB 3.42Å; C573-H576 PolarHBondContact O-N 3.42Å; C573-H576 VanDerWaalsContact O-N 3.13Å; A574-H576 VanDerWaalsContact C-N 3.33Å
577	C	88.3	Confident	90.7	Very high	26 Å²	26	38.8 Å²	38.8	18%	0.176	21%	0.205	C	C	.	.	H	α-helix	trans	-82.6	-28.6	-177.2	-66.6	0	0	0	0	113.8	V517 C522 C573 A574 P579	V517-C577 HydrophobicContact CB-CB 4.19Å; V517-C577 HydrophobicContact CG2-CB 4.18Å; C522-C577 VanDerWaalsContact SG-CB 3.55Å; C573-C577 WeakPolarHBondContact O-CB 3.1Å; C573-C577 PolarHBondContact O-N 2.88Å; C573-C577 PolarHBondContact O-SG 3.12Å; C573-C577 VanDerWaalsContact O-SG 3.38Å; A574-C577 PolarHBondContact O-N 2.78Å; C577-P579 WeakPolarHBondContact O-CD 3.29Å
578	N	86.4	Confident	90.4	Very high	24 Å²	24	40.9 Å²	40.9	13%	0.128	22%	0.219	C	C	.	.			trans	-122.9	84	177	-176.4	10.6	0	0	0	111.6	C522 A574 K580 G581	C522-N578 HydrophobicContact CB-CB 3.67Å; A574-N578 PolarHBondContact O-N 2.9Å; N578-K580 PolarHBondContact O-N 2.79Å; N578-K580 VanDerWaalsContact O-N 3.11Å; N578-K580 PolarHBondContact OD1-N 3.23Å; N578-G581 PolarHBondContact O-N 2.76Å; N578-G581 VanDerWaalsContact O-N 3.07Å; N578-G581 PolarHBondContact OD1-N 3.12Å
579	P	82.9	Confident	90.1	Very high	73 Å²	73	42.5 Å²	42.5	47%	0.474	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.6	179	-25.7	34.9	0	0	0	114.4	C577 N584 N585	C577-P579 WeakPolarHBondContact O-CD 3.29Å; P579-N584 WeakPolarHBondContact CA-ND2 3.44Å; P579-N584 PolarHBondContact O-ND2 3.37Å; P579-N585 PolarHBondContact O-OD1 2.78Å
580	K	82.3	Confident	89.8	Confident	182 Å²	182	50.9 Å²	50.9	79%	0.791	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5	-179.9	-63.3	-175.8	179.5	-178.6	0	113.6	N578 N585	N578-K580 PolarHBondContact O-N 2.79Å; N578-K580 VanDerWaalsContact O-N 3.11Å; N578-K580 PolarHBondContact OD1-N 3.23Å; K580-N585 PolarHBondContact O-ND2 2.8Å
581	G	84.3	Confident	89.6	Confident	10 Å²	10	54.7 Å²	54.7	10%	0.103	28%	0.278	C	S	.	.	S	Bend	trans	-66.4	149.4	-178.1	0	0	0	0	0	113	N578 L583 N584 N585	N578-G581 PolarHBondContact O-N 2.76Å; N578-G581 VanDerWaalsContact O-N 3.07Å; N578-G581 PolarHBondContact OD1-N 3.12Å; G581-L583 VanDerWaalsContact C-N 3.34Å; G581-L583 PolarHBondContact O-N 3.23Å; G581-N584 PolarHBondContact O-N 3.23Å; G581-N584 VanDerWaalsContact O-N 3.08Å; G581-N585 PolarHBondContact O-N 3.39Å
582	L	87.4	Confident	89.5	Confident	145 Å²	145	55.1 Å²	55.1	76%	0.759	28%	0.279	S	S	*	.	H	α-helix	trans	-54.4	-45	-178.1	-67.1	175.2	0	0	0	113.3	N585 F586	L582-N585 PolarHBondContact O-N 2.9Å; L582-F586 PolarHBondContact O-N 2.93Å
583	L	88	Confident	89.4	Confident	41 Å²	41	55.1 Å²	55.1	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-40	177.9	-71.6	-171	0	0	0	112.2	T526 I571 G581 F586 F587	T526-L583 HydrophobicContact CG2-CD1 3.26Å; T526-L583 HydrophobicContact CG2-CG 4.16Å; I571-L583 HydrophobicContact CG2-CD1 4.16Å; G581-L583 VanDerWaalsContact C-N 3.34Å; G581-L583 PolarHBondContact O-N 3.23Å; L583-F586 PolarHBondContact O-N 3.34Å; L583-F587 HydrophobicContact CB-CD2 4.26Å; L583-F587 HydrophobicContact CB-CE2 4.49Å; L583-F587 HydrophobicContact CD2-CE2 4.11Å; L583-F587 WeakPolarHBondContact O-CB 3.45Å; L583-F587 VanDerWaalsContact O-CD2 3.24Å; L583-F587 WeakPolarHBondContact O-CD2 3.4Å; L583-F587 PolarHBondContact O-N 2.78Å
584	N	89.3	Confident	89.5	Confident	16 Å²	16	54.5 Å²	54.5	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-49.7	176.2	-171.8	64.9	0	0	0	110.1	C575 P579 G581 F586 F587 S588	C575-N584 HydrophobicContact CB-CB 4.04Å; C575-N584 PolarHBondContact O-OD1 3.22Å; P579-N584 WeakPolarHBondContact CA-ND2 3.44Å; P579-N584 PolarHBondContact O-ND2 3.37Å; G581-N584 PolarHBondContact O-N 3.23Å; G581-N584 VanDerWaalsContact O-N 3.08Å; N584-F586 PolarHBondContact O-N 3.17Å; N584-F587 PolarHBondContact O-N 3.12Å; N584-S588 PolarHBondContact ND2-OG 3.36Å; N584-S588 WeakPolarHBondContact O-CA 3.48Å; N584-S588 VanDerWaalsContact O-CB 3.22Å; N584-S588 WeakPolarHBondContact O-CB 3.34Å; N584-S588 PolarHBondContact O-N 3.44Å; N584-S588 PolarHBondContact O-OG 3.25Å
585	N	90	Very high	89.7	Confident	85 Å²	85	56.3 Å²	56.3	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-53.8	-41.1	178.2	-67	-11.9	0	0	0	112.4	P579 K580 G581 L582	P579-N585 PolarHBondContact O-OD1 2.78Å; K580-N585 PolarHBondContact O-ND2 2.8Å; G581-N585 PolarHBondContact O-N 3.39Å; L582-N585 PolarHBondContact O-N 2.9Å
586	F	92.7	Very high	89.8	Confident	50 Å²	50	56.3 Å²	56.3	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-69.5	-53.8	176.6	179.7	-103.2	0	0	0	112.2	F3 L582 L583 N584 C589 W592	F3-F586 HydrophobicContact CB-CZ 4.02Å; L582-F586 PolarHBondContact O-N 2.93Å; L583-F586 PolarHBondContact O-N 3.34Å; N584-F586 PolarHBondContact O-N 3.17Å; F586-C589 WeakPolarHBondContact O-CB 3.45Å; F586-C589 PolarHBondContact O-N 3.23Å; F586-W592 HydrophobicContact CE1-CZ2 4.09Å; F586-W592 HydrophobicContact CE2-CZ2 4.02Å; F586-W592 HydrophobicContact CZ-CH2 4.4Å; F586-W592 AromaticContact CZ-CZ2 3.59Å; F586-W592 HydrophobicContact CZ-CZ2 3.59Å; F586-W592 VanDerWaalsContact O-CD1 3.26Å; F586-W592 PolarHBondContact O-NE1 3.45Å
587	F	92.8	Very high	90	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-78.1	-25.9	-171.9	-74.3	-57.2	0	0	0	114.2	I2 C260 G263 I264 T267 L583 N584 C589	I2-F587 HydrophobicContact CD1-CE2 4.32Å; I2-F587 HydrophobicContact CD1-CZ 3.79Å; C260-F587 HydrophobicContact CB-CB 3.72Å; C260-F587 WeakPolarHBondContact O-CB 3.41Å; G263-F587 WeakPolarHBondContact CA-O 3.41Å; G263-F587 PolarHBondContact N-O 2.89Å; I264-F587 HydrophobicContact CG1-CD1 4Å; I264-F587 HydrophobicContact CG1-CD2 4.31Å; I264-F587 HydrophobicContact CG1-CE1 4.13Å; I264-F587 HydrophobicContact CG1-CE2 4.45Å; I264-F587 HydrophobicContact CG1-CG 4.09Å; I264-F587 HydrophobicContact CG1-CZ 4.35Å; T267-F587 HydrophobicContact CG2-CE1 4.2Å; L583-F587 HydrophobicContact CB-CD2 4.26Å; L583-F587 HydrophobicContact CB-CE2 4.49Å; L583-F587 HydrophobicContact CD2-CE2 4.11Å; L583-F587 WeakPolarHBondContact O-CB 3.45Å; L583-F587 VanDerWaalsContact O-CD2 3.24Å; L583-F587 WeakPolarHBondContact O-CD2 3.4Å; L583-F587 PolarHBondContact O-N 2.78Å; N584-F587 PolarHBondContact O-N 3.12Å; F587-C589 VanDerWaalsContact C-N 3.32Å
588	S	90.4	Very high	90.4	Very high	44 Å²	44	56.1 Å²	56.1	31%	0.308	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.3	176.3	81.1	0	0	0	0	112.9	N584	N584-S588 PolarHBondContact ND2-OG 3.36Å; N584-S588 WeakPolarHBondContact O-CA 3.48Å; N584-S588 VanDerWaalsContact O-CB 3.22Å; N584-S588 WeakPolarHBondContact O-CB 3.34Å; N584-S588 PolarHBondContact O-N 3.44Å; N584-S588 PolarHBondContact O-OG 3.25Å
589	C	90.5	Very high	90.8	Very high	57 Å²	57	55.3 Å²	55.3	39%	0.385	28%	0.278	S	S	.	.			trans	-61.3	136.3	175.9	-177.9	0	0	0	0	110.9	F586 F587 F591 W592	F586-C589 WeakPolarHBondContact O-CB 3.45Å; F586-C589 PolarHBondContact O-N 3.23Å; F587-C589 VanDerWaalsContact C-N 3.32Å; C589-F591 PolarHBondContact O-N 3.3Å; C589-F591 VanDerWaalsContact O-N 3.09Å; C589-W592 PolarHBondContact O-N 3.16Å
590	R	90.4	Very high	91.4	Very high	184 Å²	184	53.4 Å²	53.4	69%	0.694	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.1	-178.6	-166.8	169.9	-179.7	165.7	-0.3	113.5	W592 V593	R590-W592 PolarHBondContact O-N 2.81Å; R590-V593 HydrophobicContact CG-CG2 4.29Å; R590-V593 WeakPolarHBondContact O-CB 3.26Å; R590-V593 WeakPolarHBondContact O-CG2 3.46Å; R590-V593 PolarHBondContact O-N 3.32Å
591	F	92.2	Very high	92.1	Very high	130 Å²	130	44.8 Å²	44.8	57%	0.57	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.1	171.6	174.1	-102.1	0	0	0	112.7	C589 V593 L595	C589-F591 PolarHBondContact O-N 3.3Å; C589-F591 VanDerWaalsContact O-N 3.09Å; F591-V593 VanDerWaalsContact C-N 3.33Å; F591-V593 PolarHBondContact O-N 3.06Å; F591-L595 HydrophobicContact CE1-CD1 3.98Å; F591-L595 HydrophobicContact CZ-CD1 4.06Å
592	W	93.8	Very high	92.8	Very high	17 Å²	17	44.3 Å²	44.3	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-75.9	-18.5	-176.6	-59.5	119.3	0	0	0	114.3	H262 G263 V266 F586 C589 R590 L595 S596	H262-W592 HydrophobicContact CB-CB 3.9Å; G263-W592 VanDerWaalsContact CA-CG 3.48Å; V266-W592 HydrophobicContact CB-CE3 3.74Å; V266-W592 HydrophobicContact CB-CZ3 4.13Å; V266-W592 HydrophobicContact CG1-CE3 3.53Å; V266-W592 HydrophobicContact CG1-CZ3 3.51Å; V266-W592 HydrophobicContact CG2-CE3 4.16Å; F586-W592 HydrophobicContact CE1-CZ2 4.09Å; F586-W592 HydrophobicContact CE2-CZ2 4.02Å; F586-W592 HydrophobicContact CZ-CH2 4.4Å; F586-W592 AromaticContact CZ-CZ2 3.59Å; F586-W592 HydrophobicContact CZ-CZ2 3.59Å; F586-W592 VanDerWaalsContact O-CD1 3.26Å; F586-W592 PolarHBondContact O-NE1 3.45Å; C589-W592 PolarHBondContact O-N 3.16Å; R590-W592 PolarHBondContact O-N 2.81Å; W592-L595 HydrophobicContact CE3-CD1 4.33Å; W592-L595 PolarHBondContact O-N 3.38Å; W592-S596 WeakPolarHBondContact O-CB 3.44Å; W592-S596 PolarHBondContact O-N 3.44Å
593	V	92.5	Very high	93.2	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-56.6	-171.2	176.5	0	0	0	0	112.9	D251 R590 F591 L595 S596 N597	D251-V593 WeakPolarHBondContact OD1-CG1 3.43Å; D251-V593 WeakPolarHBondContact OD1-CG2 3.4Å; R590-V593 HydrophobicContact CG-CG2 4.29Å; R590-V593 WeakPolarHBondContact O-CB 3.26Å; R590-V593 WeakPolarHBondContact O-CG2 3.46Å; R590-V593 PolarHBondContact O-N 3.32Å; F591-V593 VanDerWaalsContact C-N 3.33Å; F591-V593 PolarHBondContact O-N 3.06Å; V593-L595 VanDerWaalsContact C-N 3.34Å; V593-L595 PolarHBondContact O-N 2.99Å; V593-S596 PolarHBondContact O-N 3.18Å; V593-N597 PolarHBondContact O-N 3.23Å
594	P	93.8	Very high	93.6	Very high	18 Å²	18	36.1 Å²	36.1	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-41.5	179.8	24.5	-35	0	0	0	112.1	L248 W249 S596 N597 L598	L248-P594 HydrophobicContact CD1-CB 4.32Å; L248-P594 WeakPolarHBondContact CD1-O 2.81Å; L248-P594 HydrophobicContact CG-CB 4.09Å; L248-P594 WeakPolarHBondContact O-CA 3.22Å; W249-P594 HydrophobicContact CE3-CB 4.4Å; W249-P594 HydrophobicContact CE3-CG 4.16Å; W249-P594 HydrophobicContact CH2-CG 4.33Å; W249-P594 HydrophobicContact CZ3-CB 4.48Å; W249-P594 HydrophobicContact CZ3-CG 3.92Å; P594-S596 VanDerWaalsContact C-N 3.35Å; P594-S596 PolarHBondContact O-N 3.27Å; P594-N597 PolarHBondContact O-N 3.44Å; P594-L598 WeakPolarHBondContact O-CG 3.39Å; P594-L598 PolarHBondContact O-N 2.9Å; P594-L598 VanDerWaalsContact O-N 3.14Å
595	L	95.4	Very high	93.9	Very high	41 Å²	41	36 Å²	36	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-39.7	178.4	-61.9	177.1	0	0	0	111.9	V266 F591 W592 V593 N597 L598 T599 Y647	V266-L595 HydrophobicContact CG1-CB 4.13Å; V266-L595 HydrophobicContact CG1-CD1 4.19Å; V266-L595 HydrophobicContact CG2-CB 3.61Å; F591-L595 HydrophobicContact CE1-CD1 3.98Å; F591-L595 HydrophobicContact CZ-CD1 4.06Å; W592-L595 HydrophobicContact CE3-CD1 4.33Å; W592-L595 PolarHBondContact O-N 3.38Å; V593-L595 VanDerWaalsContact C-N 3.34Å; V593-L595 PolarHBondContact O-N 2.99Å; L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 3.28Å; L595-L598 CarbonylContact O-C 3.58Å; L595-L598 PolarHBondContact O-N 3.01Å; L595-L598 VanDerWaalsContact O-N 3.17Å; L595-T599 PolarHBondContact O-N 2.98Å; L595-T599 PolarHBondContact O-OG1 3.07Å; L595-Y647 HydrophobicContact CB-CE1 4.01Å; L595-Y647 HydrophobicContact CD2-CD1 3.73Å; L595-Y647 HydrophobicContact CD2-CE1 3.97Å; L595-Y647 HydrophobicContact CD2-CG 4.13Å; L595-Y647 WeakPolarHBondContact O-CE1 3.41Å
596	S	94.4	Very high	94.2	Very high	5 Å²	5	32 Å²	32	4%	0.035	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-38.7	177	-173.5	0	0	0	0	111.9	H262 R265 W592 V593 P594 L598 T599	H262-S596 WeakPolarHBondContact CA-OG 3.32Å; H262-S596 VanDerWaalsContact ND1-CB 3.27Å; H262-S596 WeakPolarHBondContact ND1-CB 3.24Å; H262-S596 PolarHBondContact ND1-OG 3.5Å; H262-S596 VanDerWaalsContact ND1-OG 3.1Å; R265-S596 WeakPolarHBondContact CD-OG 3.4Å; W592-S596 WeakPolarHBondContact O-CB 3.44Å; W592-S596 PolarHBondContact O-N 3.44Å; V593-S596 PolarHBondContact O-N 3.18Å; P594-S596 VanDerWaalsContact C-N 3.35Å; P594-S596 PolarHBondContact O-N 3.27Å; S596-L598 VanDerWaalsContact C-N 3.27Å; S596-L598 PolarHBondContact O-N 2.96Å; S596-T599 VanDerWaalsContact CA-OG1 3.32Å; S596-T599 WeakPolarHBondContact CA-OG1 3.45Å; S596-T599 WeakPolarHBondContact O-CB 3.35Å; S596-T599 PolarHBondContact O-N 3.4Å; S596-T599 PolarHBondContact O-OG1 2.99Å
597	N	93	Very high	94.2	Very high	36 Å²	36	29.6 Å²	29.6	19%	0.193	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-24.3	176.1	-75.2	-24.3	0	0	0	112.7	R247 L248 T250 V593 P594 L595	R247-N597 PolarHBondContact O-ND2 2.94Å; L248-N597 HydrophobicContact CD1-CB 3.98Å; L248-N597 PolarHBondContact O-ND2 3.43Å; T250-N597 PolarHBondContact O-ND2 3.48Å; V593-N597 PolarHBondContact O-N 3.23Å; P594-N597 PolarHBondContact O-N 3.44Å; L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 3.28Å
598	L	96	Very high	94.2	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-88.4	-9.1	172.9	-64.7	175.5	0	0	0	114	L248 P594 L595 S596 Y600 S601 C602 Y647 A650 F654	L248-L598 HydrophobicContact CD1-CD1 4.25Å; L248-L598 HydrophobicContact CD1-CD2 3.72Å; L248-L598 HydrophobicContact CD1-CG 3.66Å; P594-L598 WeakPolarHBondContact O-CG 3.39Å; P594-L598 PolarHBondContact O-N 2.9Å; P594-L598 VanDerWaalsContact O-N 3.14Å; L595-L598 CarbonylContact O-C 3.58Å; L595-L598 PolarHBondContact O-N 3.01Å; L595-L598 VanDerWaalsContact O-N 3.17Å; S596-L598 VanDerWaalsContact C-N 3.27Å; S596-L598 PolarHBondContact O-N 2.96Å; L598-Y600 PolarHBondContact O-N 3.3Å; L598-Y600 VanDerWaalsContact O-N 3.14Å; L598-S601 PolarHBondContact O-N 3.04Å; L598-C602 WeakPolarHBondContact O-CB 3.43Å; L598-C602 PolarHBondContact O-N 3.18Å; L598-Y647 HydrophobicContact CB-CD1 4.15Å; L598-Y647 HydrophobicContact CB-CE1 4.35Å; L598-Y647 HydrophobicContact CD1-CD1 4.42Å; L598-A650 HydrophobicContact CB-CB 4.23Å; L598-F654 HydrophobicContact CD2-CB 3.37Å; L598-F654 HydrophobicContact CD2-CD1 4.21Å; L598-F654 HydrophobicContact CD2-CD2 3.94Å; L598-F654 HydrophobicContact CD2-CG 3.59Å
599	T	95.6	Very high	94.4	Very high	7 Å²	7	29 Å²	29	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-35.5	-170.2	-63.6	0	0	0	0	112.7	R265 M269 F314 L595 S596 Y603	R265-T599 HydrophobicContact CB-CG2 4.42Å; M269-T599 HydrophobicContact CB-CG2 3.86Å; M269-T599 HydrophobicContact CG-CG2 4.1Å; F314-T599 HydrophobicContact CE1-CG2 4.2Å; F314-T599 HydrophobicContact CZ-CG2 3.98Å; L595-T599 PolarHBondContact O-N 2.98Å; L595-T599 PolarHBondContact O-OG1 3.07Å; S596-T599 VanDerWaalsContact CA-OG1 3.32Å; S596-T599 WeakPolarHBondContact CA-OG1 3.45Å; S596-T599 WeakPolarHBondContact O-CB 3.35Å; S596-T599 PolarHBondContact O-N 3.4Å; S596-T599 PolarHBondContact O-OG1 2.99Å; T599-Y603 VanDerWaalsContact O-CB 3.27Å; T599-Y603 WeakPolarHBondContact O-CB 3.23Å; T599-Y603 PolarHBondContact O-N 3.43Å
600	Y	95.6	Very high	94.5	Very high	33 Å²	33	26.2 Å²	26.2	13%	0.129	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-51.3	178.2	178.9	-118.8	0	0	0	112.5	L355 V358 L415 L598 C602 Y603 L604	L355-Y600 HydrophobicContact CB-CE1 4.31Å; L355-Y600 WeakPolarHBondContact CB-OH 3.35Å; L355-Y600 HydrophobicContact CD2-CD1 4.14Å; L355-Y600 HydrophobicContact CD2-CD2 4.13Å; L355-Y600 HydrophobicContact CD2-CE1 3.82Å; L355-Y600 HydrophobicContact CD2-CE2 3.86Å; L355-Y600 HydrophobicContact CD2-CG 4.28Å; L355-Y600 PolarHBondContact O-OH 2.94Å; V358-Y600 HydrophobicContact CB-CE1 4.03Å; V358-Y600 HydrophobicContact CG2-CE1 4.42Å; L415-Y600 HydrophobicContact CD1-CE2 3.93Å; L415-Y600 HydrophobicContact CD2-CD2 4.4Å; L415-Y600 HydrophobicContact CD2-CE2 3.76Å; L598-Y600 PolarHBondContact O-N 3.3Å; L598-Y600 VanDerWaalsContact O-N 3.14Å; Y600-C602 VanDerWaalsContact C-N 3.28Å; Y600-C602 PolarHBondContact O-N 2.96Å; Y600-Y603 PolarHBondContact O-N 3.19Å; Y600-L604 HydrophobicContact CD1-CD1 4.36Å; Y600-L604 HydrophobicContact CE1-CD1 3.78Å; Y600-L604 HydrophobicContact CE2-CD1 4.19Å; Y600-L604 HydrophobicContact CE2-CD2 4.42Å; Y600-L604 HydrophobicContact CE2-CG 4.21Å; Y600-L604 PolarHBondContact O-N 3.02Å; Y600-L604 VanDerWaalsContact O-N 3.07Å
601	S	96.7	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.5	-40.1	174	-76.1	0	0	0	0	112	L598 L604 I605 E658	L598-S601 PolarHBondContact O-N 3.04Å; S601-L604 PolarHBondContact O-N 2.76Å; S601-I605 PolarHBondContact O-N 3.25Å; S601-E658 PolarHBondContact OG-OE2 3.29Å
602	C	97.7	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-46.8	175.6	-174	0	0	0	0	111.2	L598 Y600 L604 I605 H606 Y647 A650	L598-C602 WeakPolarHBondContact O-CB 3.43Å; L598-C602 PolarHBondContact O-N 3.18Å; Y600-C602 VanDerWaalsContact C-N 3.28Å; Y600-C602 PolarHBondContact O-N 2.96Å; C602-L604 VanDerWaalsContact C-N 3.3Å; C602-L604 PolarHBondContact O-N 3.41Å; C602-I605 PolarHBondContact O-N 2.95Å; C602-H606 VanDerWaalsContact O-CB 3.31Å; C602-H606 WeakPolarHBondContact O-CB 3.32Å; C602-H606 PolarHBondContact O-N 2.92Å; C602-Y647 HydrophobicContact CB-CD1 4.45Å; C602-Y647 HydrophobicContact CB-CE1 4.3Å; C602-A650 HydrophobicContact CB-CB 3.71Å; C602-A650 VanDerWaalsContact N-CB 3.35Å
603	Y	97	Very high	94.3	Very high	15 Å²	15	19.3 Å²	19.3	6%	0.059	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-35.1	176.9	175.7	-99.5	0	0	0	113.5	M269 W411 Y414 L415 T599 Y600 H606	M269-Y603 HydrophobicContact CE-CD2 4.42Å; M269-Y603 HydrophobicContact SD-CD2 4.02Å; M269-Y603 HydrophobicContact SD-CG 4.43Å; W411-Y603 PolarHBondContact O-OH 3.5Å; Y414-Y603 WeakPolarHBondContact CB-OH 2.91Å; Y414-Y603 HydrophobicContact CD1-CE1 4.17Å; L415-Y603 HydrophobicContact CD1-CD1 4.35Å; L415-Y603 HydrophobicContact CD1-CE1 3.96Å; L415-Y603 HydrophobicContact CD2-CD1 4.49Å; L415-Y603 HydrophobicContact CD2-CE1 4.16Å; L415-Y603 HydrophobicContact CG-CD1 4.49Å; L415-Y603 HydrophobicContact CG-CE1 3.83Å; T599-Y603 VanDerWaalsContact O-CB 3.27Å; T599-Y603 WeakPolarHBondContact O-CB 3.23Å; T599-Y603 PolarHBondContact O-N 3.43Å; Y600-Y603 PolarHBondContact O-N 3.19Å; Y603-H606 AromaticContact CD2-CE1 3.96Å; Y603-H606 PolarHBondContact O-CE1 3.36Å; Y603-H606 VanDerWaalsContact O-CE1 3.23Å; Y603-H606 PolarHBondContact O-ND1 3.39Å
604	L	96.3	Very high	94.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-36	177.7	-72.6	173.5	0	0	0	113.1	V358 Y359 W411 T412 L415 Y600 S601 C602	V358-L604 HydrophobicContact CB-CD1 4.05Å; V358-L604 HydrophobicContact CG1-CD1 3.64Å; Y359-L604 HydrophobicContact CD2-CD2 3.64Å; Y359-L604 HydrophobicContact CE2-CD2 4.18Å; Y359-L604 HydrophobicContact CG-CD2 4.25Å; W411-L604 PolarHBondContact NE1-O 3.11Å; T412-L604 HydrophobicContact CG2-CD2 4.32Å; L415-L604 HydrophobicContact CD1-CD2 3.67Å; Y600-L604 HydrophobicContact CD1-CD1 4.36Å; Y600-L604 HydrophobicContact CE1-CD1 3.78Å; Y600-L604 HydrophobicContact CE2-CD1 4.19Å; Y600-L604 HydrophobicContact CE2-CD2 4.42Å; Y600-L604 HydrophobicContact CE2-CG 4.21Å; Y600-L604 PolarHBondContact O-N 3.02Å; Y600-L604 VanDerWaalsContact O-N 3.07Å; S601-L604 PolarHBondContact O-N 2.76Å; C602-L604 VanDerWaalsContact C-N 3.3Å; C602-L604 PolarHBondContact O-N 3.41Å
605	I	95.2	Very high	93.7	Very high	13 Å²	13	20.8 Å²	20.8	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-103.9	-15.7	-171.3	-155.3	65.5	0	0	0	114.5	L370 S601 C602 C607 V608 V609 L653	L370-I605 HydrophobicContact CD1-CD1 4.36Å; S601-I605 PolarHBondContact O-N 3.25Å; C602-I605 PolarHBondContact O-N 2.95Å; I605-C607 PolarHBondContact O-N 3.43Å; I605-V608 HydrophobicContact CD1-CB 4Å; I605-V608 HydrophobicContact CD1-CG1 4.28Å; I605-V608 HydrophobicContact CD1-CG2 3.94Å; I605-V608 HydrophobicContact CG1-CB 4.3Å; I605-V608 WeakPolarHBondContact O-CA 3.45Å; I605-V608 VanDerWaalsContact O-CB 3.25Å; I605-V608 WeakPolarHBondContact O-CB 3.38Å; I605-V608 PolarHBondContact O-N 3.42Å; I605-V609 HydrophobicContact CG1-CG2 4.37Å; I605-V609 HydrophobicContact CG2-CG2 4.4Å; I605-V609 PolarHBondContact O-N 3.46Å; I605-V609 VanDerWaalsContact O-N 3.08Å; I605-L653 HydrophobicContact CB-CD1 3.86Å; I605-L653 HydrophobicContact CG1-CD1 4.28Å; I605-L653 HydrophobicContact CG2-CD1 4.12Å
606	H	95.5	Very high	93.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-41.1	-170.3	73.7	-65.4	0	0	0	114.3	M269 M273 H276 C602 Y603 V608 V609 V610	M269-H606 HydrophobicContact CE-CB 3.74Å; M273-H606 HydrophobicContact CE-CB 4.06Å; M273-H606 HydrophobicContact CG-CB 4.34Å; H276-H606 AromaticContact ND1-NE2 3.77Å; C602-H606 VanDerWaalsContact O-CB 3.31Å; C602-H606 WeakPolarHBondContact O-CB 3.32Å; C602-H606 PolarHBondContact O-N 2.92Å; Y603-H606 AromaticContact CD2-CE1 3.96Å; Y603-H606 PolarHBondContact O-CE1 3.36Å; Y603-H606 VanDerWaalsContact O-CE1 3.23Å; Y603-H606 PolarHBondContact O-ND1 3.39Å; H606-V608 VanDerWaalsContact C-N 3.28Å; H606-V608 PolarHBondContact O-N 3.36Å; H606-V609 PolarHBondContact O-N 3.37Å; H606-V610 VanDerWaalsContact O-CG2 3.28Å; H606-V610 WeakPolarHBondContact O-CG2 3.23Å; H606-V610 PolarHBondContact O-N 3.39Å
607	C	93.7	Very high	93	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-35	177.8	-68.1	0	0	0	0	112	F280 W411 I605 V609 V610 F611	F280-C607 HydrophobicContact CE2-CB 4.31Å; W411-C607 HydrophobicContact CD2-CB 3.53Å; W411-C607 VanDerWaalsContact CD2-SG 3.57Å; W411-C607 HydrophobicContact CE3-CB 3.57Å; W411-C607 HydrophobicContact CG-CB 4.09Å; W411-C607 VanDerWaalsContact CG-SG 3.52Å; W411-C607 HydrophobicContact CH2-CB 4Å; W411-C607 HydrophobicContact CZ2-CB 3.94Å; W411-C607 HydrophobicContact CZ3-CB 3.81Å; I605-C607 PolarHBondContact O-N 3.43Å; C607-V609 VanDerWaalsContact C-N 3.34Å; C607-V610 WeakPolarHBondContact O-CB 3.38Å; C607-V610 PolarHBondContact O-N 3.09Å; C607-F611 WeakPolarHBondContact O-CD2 3.33Å; C607-F611 PolarHBondContact O-N 2.92Å
608	V	91.9	Very high	92.7	Very high	22 Å²	22	22.7 Å²	22.7	13%	0.133	12%	0.122	C	C	.	.	H	α-helix	trans	-62.4	-46.5	173.5	179.6	0	0	0	0	110	L366 L370 W411 I605 H606 V610 F611 A612	L366-V608 HydrophobicContact CD1-CG2 3.84Å; L370-V608 HydrophobicContact CD1-CG1 3.56Å; L370-V608 HydrophobicContact CG-CG1 4.48Å; W411-V608 HydrophobicContact CZ2-CG2 4.17Å; I605-V608 HydrophobicContact CD1-CB 4Å; I605-V608 HydrophobicContact CD1-CG1 4.28Å; I605-V608 HydrophobicContact CD1-CG2 3.94Å; I605-V608 HydrophobicContact CG1-CB 4.3Å; I605-V608 WeakPolarHBondContact O-CA 3.45Å; I605-V608 VanDerWaalsContact O-CB 3.25Å; I605-V608 WeakPolarHBondContact O-CB 3.38Å; I605-V608 PolarHBondContact O-N 3.42Å; H606-V608 VanDerWaalsContact C-N 3.28Å; H606-V608 PolarHBondContact O-N 3.36Å; V608-V610 VanDerWaalsContact C-N 3.33Å; V608-V610 PolarHBondContact O-N 3.38Å; V608-F611 PolarHBondContact O-N 2.81Å; V608-A612 WeakPolarHBondContact O-CB 2.97Å; V608-A612 PolarHBondContact O-N 3.06Å
609	V	94.3	Very high	92	Very high	11 Å²	11	24.6 Å²	24.6	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-42.8	177.7	178.9	0	0	0	0	110.5	I605 H606 C607 F611 A612 F613 V642 S646	I605-V609 HydrophobicContact CG1-CG2 4.37Å; I605-V609 HydrophobicContact CG2-CG2 4.4Å; I605-V609 PolarHBondContact O-N 3.46Å; I605-V609 VanDerWaalsContact O-N 3.08Å; H606-V609 PolarHBondContact O-N 3.37Å; C607-V609 VanDerWaalsContact C-N 3.34Å; V609-F611 PolarHBondContact O-N 3.35Å; V609-A612 PolarHBondContact O-N 3.04Å; V609-F613 HydrophobicContact CG1-CD2 3.82Å; V609-F613 HydrophobicContact CG1-CE2 3.83Å; V609-F613 WeakPolarHBondContact O-CD2 3.36Å; V609-F613 PolarHBondContact O-N 3.09Å; V609-F613 VanDerWaalsContact O-N 3.08Å; V609-V642 HydrophobicContact CG1-CG1 4.32Å; V609-S646 WeakPolarHBondContact CG1-OG 3.38Å
610	V	94.1	Very high	91.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-53.7	-53.1	174.6	171	0	0	0	0	110.5	L277 F280 H606 C607 V608 A612 F613 L614 V642	L277-V610 HydrophobicContact CD1-CG1 3.96Å; F280-V610 HydrophobicContact CB-CG1 4.41Å; F280-V610 HydrophobicContact CD2-CG1 3.83Å; H606-V610 VanDerWaalsContact O-CG2 3.28Å; H606-V610 WeakPolarHBondContact O-CG2 3.23Å; H606-V610 PolarHBondContact O-N 3.39Å; C607-V610 WeakPolarHBondContact O-CB 3.38Å; C607-V610 PolarHBondContact O-N 3.09Å; V608-V610 VanDerWaalsContact C-N 3.33Å; V608-V610 PolarHBondContact O-N 3.38Å; V610-A612 VanDerWaalsContact C-N 3.34Å; V610-A612 PolarHBondContact O-N 2.86Å; V610-F613 PolarHBondContact O-N 3.45Å; V610-F613 VanDerWaalsContact O-N 3.15Å; V610-L614 HydrophobicContact CG1-CD1 3.6Å; V610-L614 HydrophobicContact CG1-CG 4Å; V610-L614 WeakPolarHBondContact O-CB 3.18Å; V610-L614 WeakPolarHBondContact O-CG 3.44Å; V610-L614 PolarHBondContact O-N 2.9Å; V610-V642 HydrophobicContact CG2-CG1 3.62Å
611	F	89.6	Confident	90.1	Very high	58 Å²	58	29.5 Å²	29.5	25%	0.254	17%	0.168	S	C	.	.	H	α-helix	trans	-64.6	-36.4	179.1	-75.7	-65.2	0	0	0	113.1	F280 C607 V608 V609 F613 L614 E615	F280-F611 HydrophobicContact CB-CE1 4.4Å; F280-F611 HydrophobicContact CB-CZ 4.4Å; F280-F611 HydrophobicContact CD1-CZ 4.3Å; F280-F611 HydrophobicContact CD2-CE1 4.37Å; F280-F611 AromaticContact CD2-CE2 3.84Å; F280-F611 HydrophobicContact CD2-CE2 3.84Å; F280-F611 AromaticContact CD2-CZ 3.71Å; F280-F611 HydrophobicContact CD2-CZ 3.71Å; F280-F611 AromaticContact CE2-CE2 3.76Å; F280-F611 HydrophobicContact CE2-CE2 3.76Å; F280-F611 AromaticContact CE2-CZ 3.96Å; F280-F611 HydrophobicContact CE2-CZ 3.96Å; F280-F611 HydrophobicContact CG-CE1 4.39Å; F280-F611 HydrophobicContact CG-CE2 4.48Å; F280-F611 AromaticContact CG-CZ 3.9Å; F280-F611 HydrophobicContact CG-CZ 3.9Å; F280-F611 HydrophobicContact CZ-CE2 4.31Å; F280-F611 HydrophobicContact CZ-CZ 4.35Å; C607-F611 WeakPolarHBondContact O-CD2 3.33Å; C607-F611 PolarHBondContact O-N 2.92Å; V608-F611 PolarHBondContact O-N 2.81Å; V609-F611 PolarHBondContact O-N 3.35Å; F611-F613 PolarHBondContact O-N 2.84Å; F611-L614 PolarHBondContact O-N 2.91Å; F611-E615 PolarHBondContact O-N 3.45Å
612	A	90.1	Very high	88.9	Confident	61 Å²	61	36.3 Å²	36.3	50%	0.504	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-21.3	175.8	0	0	0	0	0	113.7	V608 V609 V610 P616	V608-A612 WeakPolarHBondContact O-CB 2.97Å; V608-A612 PolarHBondContact O-N 3.06Å; V609-A612 PolarHBondContact O-N 3.04Å; V610-A612 VanDerWaalsContact C-N 3.34Å; V610-A612 PolarHBondContact O-N 2.86Å; A612-P616 WeakPolarHBondContact O-CD 3.29Å; A612-P616 WeakPolarHBondContact O-CG 3.46Å
613	F	91.5	Very high	87.6	Confident	66 Å²	66	38.9 Å²	38.9	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-96.3	-37.6	172.2	-83.8	-87.3	0	0	0	112.9	V609 V610 F611 Y617 L641 V642 S645	V609-F613 HydrophobicContact CG1-CD2 3.82Å; V609-F613 HydrophobicContact CG1-CE2 3.83Å; V609-F613 WeakPolarHBondContact O-CD2 3.36Å; V609-F613 PolarHBondContact O-N 3.09Å; V609-F613 VanDerWaalsContact O-N 3.08Å; V610-F613 PolarHBondContact O-N 3.45Å; V610-F613 VanDerWaalsContact O-N 3.15Å; F611-F613 PolarHBondContact O-N 2.84Å; F613-Y617 WeakPolarHBondContact O-CB 3.21Å; F613-Y617 PolarHBondContact O-N 3.34Å; F613-Y617 VanDerWaalsContact O-N 3.09Å; F613-L641 HydrophobicContact CD1-CB 4.41Å; F613-L641 HydrophobicContact CE1-CB 4.02Å; F613-L641 HydrophobicContact CZ-CB 4.49Å; F613-V642 HydrophobicContact CB-CG2 3.75Å; F613-V642 HydrophobicContact CD2-CG2 3.88Å; F613-V642 HydrophobicContact CG-CG2 3.84Å; F613-S645 WeakPolarHBondContact CE2-OG 3.17Å; F613-S645 VanDerWaalsContact CZ-OG 3.24Å; F613-S645 WeakPolarHBondContact CZ-OG 3.3Å
614	L	89.6	Confident	86.4	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-38.2	-178.9	-72.2	-176.7	0	0	0	112.6	L277 F280 V284 V610 F611 Y617 A618	L277-L614 HydrophobicContact CD1-CD1 4.38Å; L277-L614 HydrophobicContact CD1-CD2 3.71Å; L277-L614 HydrophobicContact CD1-CG 4.14Å; F280-L614 HydrophobicContact CB-CD1 3.69Å; V284-L614 HydrophobicContact CG1-CB 4.24Å; V284-L614 HydrophobicContact CG2-CB 4.32Å; V284-L614 HydrophobicContact CG2-CD2 3.95Å; V610-L614 HydrophobicContact CG1-CD1 3.6Å; V610-L614 HydrophobicContact CG1-CG 4Å; V610-L614 WeakPolarHBondContact O-CB 3.18Å; V610-L614 WeakPolarHBondContact O-CG 3.44Å; V610-L614 PolarHBondContact O-N 2.9Å; F611-L614 PolarHBondContact O-N 2.91Å; L614-Y617 PolarHBondContact O-N 3.25Å; L614-A618 WeakPolarHBondContact O-CB 3.29Å; L614-A618 PolarHBondContact O-N 3.21Å
615	E	84.8	Confident	85.5	Confident	51 Å²	51	41.7 Å²	41.7	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-50.5	-179.6	176.8	-170.6	163.8	0	0	112.3	S374 F611 Y617 A618 K619	S374-E615 VanDerWaalsContact OG-CD 3.23Å; S374-E615 PolarHBondContact OG-OE1 2.73Å; S374-E615 PolarHBondContact OG-OE2 2.83Å; F611-E615 PolarHBondContact O-N 3.45Å; E615-Y617 VanDerWaalsContact C-N 3.32Å; E615-Y617 PolarHBondContact O-N 2.96Å; E615-A618 WeakPolarHBondContact O-CB 3.49Å; E615-A618 PolarHBondContact O-N 3.19Å; E615-K619 HydrophobicContact CG-CD 4.21Å; E615-K619 WeakPolarHBondContact O-CG 3.25Å; E615-K619 PolarHBondContact O-N 2.88Å; E615-K619 WeakPolarHBondContact OE1-CE 3.44Å; E615-K619 IonicContact OE1-NZ 2.69Å; E615-K619 PolarHBondContact OE1-NZ 2.92Å
616	P	86.8	Confident	84.9	Confident	76 Å²	76	43.2 Å²	43.2	49%	0.494	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-35	172.7	-24.7	35.3	0	0	0	113.7	A612 A618 K619 S620	A612-P616 WeakPolarHBondContact O-CD 3.29Å; A612-P616 WeakPolarHBondContact O-CG 3.46Å; P616-A618 VanDerWaalsContact C-N 3.33Å; P616-K619 CarbonylContact O-C 3.48Å; P616-K619 PolarHBondContact O-N 3.48Å; P616-S620 PolarHBondContact O-N 3.29Å
617	Y	88	Confident	84.4	Confident	46 Å²	46	43.4 Å²	43.4	18%	0.18	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-42.9	175	172.6	-108.8	0	0	0	111.3	V284 F613 L614 E615 K619 S620 P628 E634 V638	V284-Y617 HydrophobicContact CG2-CD1 4.42Å; F613-Y617 WeakPolarHBondContact O-CB 3.21Å; F613-Y617 PolarHBondContact O-N 3.34Å; F613-Y617 VanDerWaalsContact O-N 3.09Å; L614-Y617 PolarHBondContact O-N 3.25Å; E615-Y617 VanDerWaalsContact C-N 3.32Å; E615-Y617 PolarHBondContact O-N 2.96Å; Y617-K619 VanDerWaalsContact C-N 3.34Å; Y617-K619 PolarHBondContact O-N 3.14Å; Y617-S620 VanDerWaalsContact O-CB 3.22Å; Y617-S620 WeakPolarHBondContact O-CB 3.32Å; Y617-S620 PolarHBondContact O-N 2.83Å; Y617-P628 HydrophobicContact CD1-CG 3.77Å; Y617-P628 HydrophobicContact CE1-CB 3.77Å; Y617-P628 HydrophobicContact CE1-CG 3.33Å; Y617-P628 HydrophobicContact CE2-CB 4.31Å; Y617-P628 HydrophobicContact CE2-CG 4.48Å; Y617-E634 PolarHBondContact OH-OE2 2.87Å; Y617-V638 HydrophobicContact CD2-CG2 4.26Å; Y617-V638 HydrophobicContact CE2-CG2 4.4Å
618	A	86	Confident	84.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-41.4	174	0	0	0	0	0	112.3	L106 M110 V284 L614 E615 P616 S620 L627	L106-A618 HydrophobicContact CD2-CB 3.47Å; L106-A618 VanDerWaalsContact CD2-CB 3.47Å; L106-A618 HydrophobicContact CG-CB 4.38Å; M110-A618 VanDerWaalsContact CE-O 3.26Å; M110-A618 WeakPolarHBondContact CE-O 3.47Å; V284-A618 HydrophobicContact CB-CB 3.87Å; V284-A618 HydrophobicContact CG1-CB 4Å; L614-A618 WeakPolarHBondContact O-CB 3.29Å; L614-A618 PolarHBondContact O-N 3.21Å; E615-A618 WeakPolarHBondContact O-CB 3.49Å; E615-A618 PolarHBondContact O-N 3.19Å; P616-A618 VanDerWaalsContact C-N 3.33Å; A618-S620 PolarHBondContact O-N 3.43Å; A618-L627 HydrophobicContact CB-CD2 3.97Å
619	K	82	Confident	83.9	Confident	54 Å²	54	46.2 Å²	46.2	24%	0.235	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.1	179.1	-69.6	174.6	176	177.8	0	114.3	M110 D375 F376 E615 P616 Y617 S621	M110-K619 HydrophobicContact CG-CG 4.19Å; M110-K619 HydrophobicContact SD-CG 4.21Å; D375-K619 IonicContact OD2-NZ 3.44Å; D375-K619 PolarHBondContact OD2-NZ 2.88Å; F376-K619 VanDerWaalsContact CE1-NZ 3.34Å; E615-K619 HydrophobicContact CG-CD 4.21Å; E615-K619 WeakPolarHBondContact O-CG 3.25Å; E615-K619 PolarHBondContact O-N 2.88Å; E615-K619 WeakPolarHBondContact OE1-CE 3.44Å; E615-K619 IonicContact OE1-NZ 2.69Å; E615-K619 PolarHBondContact OE1-NZ 2.92Å; P616-K619 CarbonylContact O-C 3.48Å; P616-K619 PolarHBondContact O-N 3.48Å; Y617-K619 VanDerWaalsContact C-N 3.34Å; Y617-K619 PolarHBondContact O-N 3.14Å; K619-S621 PolarHBondContact O-N 2.88Å
620	S	81.5	Confident	83.6	Confident	34 Å²	34	46.4 Å²	46.4	24%	0.238	27%	0.269	C	S	.	.			trans	-58.3	125	-174.2	-178.3	0	0	0	0	111.2	P616 Y617 A618 I622 N623	P616-S620 PolarHBondContact O-N 3.29Å; Y617-S620 VanDerWaalsContact O-CB 3.22Å; Y617-S620 WeakPolarHBondContact O-CB 3.32Å; Y617-S620 PolarHBondContact O-N 2.83Å; A618-S620 PolarHBondContact O-N 3.43Å; S620-I622 PolarHBondContact O-N 3.25Å; S620-N623 PolarHBondContact O-N 3.25Å
621	S	69	Low	83.4	Confident	109 Å²	109	48.3 Å²	48.3	76%	0.762	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.7	-12.2	-177.7	61.8	0	0	0	0	114	K619 N623 G624	K619-S621 PolarHBondContact O-N 2.88Å; S621-N623 PolarHBondContact O-N 3.44Å; S621-G624 PolarHBondContact O-N 2.94Å; S621-G624 VanDerWaalsContact O-N 3.17Å
622	I	73.4	Confident	83.3	Confident	144 Å²	144	47.6 Å²	47.6	74%	0.738	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-59.4	-35.2	180	-60.6	173.3	0	0	0	111	S620 G624	S620-I622 PolarHBondContact O-N 3.25Å; I622-G624 VanDerWaalsContact C-N 3.34Å
623	N	68.5	Low	83.4	Confident	54 Å²	54	51 Å²	51	29%	0.289	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-93.8	9	-177.8	-60.8	-44.9	0	0	0	113.3	S620 S621 F626 P628	S620-N623 PolarHBondContact O-N 3.25Å; S621-N623 PolarHBondContact O-N 3.44Å; N623-F626 WeakPolarHBondContact CB-O 3.49Å; N623-F626 PolarHBondContact O-N 2.98Å; N623-P628 VanDerWaalsContact ND2-CA 3.33Å; N623-P628 WeakPolarHBondContact ND2-CA 3.33Å; N623-P628 WeakPolarHBondContact ND2-CB 3.33Å
624	G	73.7	Confident	83.3	Confident	42 Å²	42	51.6 Å²	51.6	43%	0.433	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-134.7	-173.3	0	0	0	0	0	111.2	S621 I622 F626	S621-G624 PolarHBondContact O-N 2.94Å; S621-G624 VanDerWaalsContact O-N 3.17Å; I622-G624 VanDerWaalsContact C-N 3.34Å; G624-F626 PolarHBondContact O-N 3.3Å
625	P	75.9	Confident	83.4	Confident	31 Å²	31	52.1 Å²	52.1	20%	0.201	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.4	-179.9	34.5	-35.3	0	0	0	113	A76 L77 A80 Q107	A76-P625 HydrophobicContact CB-CG 4.06Å; L77-P625 HydrophobicContact CD1-CB 4.34Å; A80-P625 HydrophobicContact CB-CB 3.64Å; A80-P625 HydrophobicContact CB-CG 3.82Å; Q107-P625 PolarHBondContact NE2-O 3.45Å
626	F	82.7	Confident	83.8	Confident	46 Å²	46	51.2 Å²	51.2	20%	0.202	30%	0.297	C	S	.	.	S	Bend	trans	-94.2	150.5	-174.7	-57.9	-75.1	0	0	0	113	A76 K79 A80 N623 G624	A76-F626 HydrophobicContact CB-CE2 3.98Å; A76-F626 HydrophobicContact CB-CZ 4.23Å; A76-F626 VanDerWaalsContact O-CZ 3.29Å; A76-F626 WeakPolarHBondContact O-CZ 3.39Å; K79-F626 HydrophobicContact CB-CE1 3.96Å; K79-F626 HydrophobicContact CB-CZ 3.9Å; K79-F626 HydrophobicContact CD-CE1 4.03Å; K79-F626 HydrophobicContact CD-CZ 3.91Å; K79-F626 HydrophobicContact CG-CE1 3.84Å; K79-F626 HydrophobicContact CG-CZ 4.05Å; A80-F626 HydrophobicContact CB-CD1 3.89Å; A80-F626 HydrophobicContact CB-CE1 3.77Å; A80-F626 HydrophobicContact CB-CZ 4.39Å; N623-F626 WeakPolarHBondContact CB-O 3.49Å; N623-F626 PolarHBondContact O-N 2.98Å; G624-F626 PolarHBondContact O-N 3.3Å
627	L	85.5	Confident	84.2	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.1	147.6	163.5	-68.9	178.1	0	0	0	111.6	L106 Q107 M110 N286 A618	L106-L627 HydrophobicContact CD2-CD2 4.06Å; L106-L627 HydrophobicContact CG-CD2 4.26Å; Q107-L627 HydrophobicContact CB-CD1 4.45Å; Q107-L627 HydrophobicContact CB-CG 4.45Å; Q107-L627 VanDerWaalsContact OE1-N 3.09Å; M110-L627 HydrophobicContact SD-CD2 4.14Å; N286-L627 HydrophobicContact CB-CB 4.16Å; A618-L627 HydrophobicContact CB-CD2 3.97Å
628	P	87.3	Confident	84.4	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-58.1	150	176.5	20.8	-31.6	0	0	0	113.2	V284 V285 N286 Y617 N623	V284-P628 WeakPolarHBondContact O-CD 3.49Å; V284-P628 VanDerWaalsContact O-CG 3.26Å; V284-P628 WeakPolarHBondContact O-CG 3.39Å; V285-P628 CarbonylContact C-O 3.6Å; V285-P628 VanDerWaalsContact CA-O 3.25Å; V285-P628 WeakPolarHBondContact CA-O 3.23Å; N286-P628 PolarHBondContact N-O 3.28Å; Y617-P628 HydrophobicContact CD1-CG 3.77Å; Y617-P628 HydrophobicContact CE1-CB 3.77Å; Y617-P628 HydrophobicContact CE1-CG 3.33Å; Y617-P628 HydrophobicContact CE2-CB 4.31Å; Y617-P628 HydrophobicContact CE2-CG 4.48Å; N623-P628 VanDerWaalsContact ND2-CA 3.33Å; N623-P628 WeakPolarHBondContact ND2-CA 3.33Å; N623-P628 WeakPolarHBondContact ND2-CB 3.33Å
629	T	87.6	Confident	84.9	Confident	80 Å²	80	49.8 Å²	49.8	49%	0.491	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-86.9	129.9	170.4	-53.9	0	0	0	0	108.5	N287 S631	N287-T629 HydrophobicContact CB-CG2 4.47Å; N287-T629 WeakPolarHBondContact ND2-CG2 3.39Å; T629-S631 PolarHBondContact O-N 3.01Å
630	Y	87.6	Confident	85.6	Confident	16 Å²	16	50 Å²	50	6%	0.063	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-56.2	131.5	175.1	163.4	-105.2	0	0	0	111.3	N287 L291 Y295 H632 T635	N287-Y630 VanDerWaalsContact OD1-CB 3.29Å; N287-Y630 WeakPolarHBondContact OD1-CB 3Å; N287-Y630 PolarHBondContact OD1-N 2.75Å; L291-Y630 HydrophobicContact CB-CD1 3.96Å; L291-Y630 HydrophobicContact CB-CD2 4.34Å; L291-Y630 HydrophobicContact CB-CE1 4.43Å; L291-Y630 HydrophobicContact CB-CG 3.89Å; L291-Y630 HydrophobicContact CD1-CD1 4.23Å; L291-Y630 HydrophobicContact CD1-CD2 3.52Å; L291-Y630 HydrophobicContact CD1-CE1 4.11Å; L291-Y630 HydrophobicContact CD1-CE2 3.37Å; L291-Y630 HydrophobicContact CD1-CG 3.93Å; L291-Y630 HydrophobicContact CG-CD2 4.42Å; L291-Y630 HydrophobicContact CG-CG 4.46Å; Y295-Y630 HydrophobicContact CE2-CE2 4.13Å; Y295-Y630 AromaticContact CE2-CZ 3.86Å; Y295-Y630 WeakPolarHBondContact CE2-OH 3.4Å; Y630-H632 AromaticContact CZ-CE1 4Å; Y630-H632 PolarHBondContact OH-CE1 3.18Å; Y630-H632 PolarHBondContact OH-ND1 2.98Å; Y630-H632 PolarHBondContact OH-NE2 3.46Å; Y630-T635 WeakPolarHBondContact CD2-OG1 3.44Å; Y630-T635 WeakPolarHBondContact CE2-OG1 3.06Å
631	S	89.4	Confident	86.3	Confident	40 Å²	40	52.8 Å²	52.8	28%	0.28	32%	0.316	S	S	.	.			trans	-140.1	149.2	163.8	70.8	0	0	0	0	110.3	T629 L633 E634 T635	T629-S631 PolarHBondContact O-N 3.01Å; S631-L633 VanDerWaalsContact C-N 3.31Å; S631-L633 PolarHBondContact O-N 3.28Å; S631-E634 VanDerWaalsContact OG-CB 3.24Å; S631-E634 WeakPolarHBondContact OG-CB 3.43Å; S631-E634 WeakPolarHBondContact OG-CG 3.37Å; S631-E634 PolarHBondContact OG-N 2.93Å; S631-T635 WeakPolarHBondContact O-CB 3Å; S631-T635 PolarHBondContact O-N 3.47Å; S631-T635 PolarHBondContact O-OG1 3.3Å
632	H	89.5	Confident	87.6	Confident	42 Å²	42	47.6 Å²	47.6	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-40	177.9	-70.9	-79.8	0	0	0	112.2	S294 Y630 T635 A636	S294-H632 PolarHBondContact OG-CE1 2.96Å; S294-H632 PolarHBondContact OG-NE2 3.36Å; Y630-H632 AromaticContact CZ-CE1 4Å; Y630-H632 PolarHBondContact OH-CE1 3.18Å; Y630-H632 PolarHBondContact OH-ND1 2.98Å; Y630-H632 PolarHBondContact OH-NE2 3.46Å; H632-T635 PolarHBondContact O-N 3.4Å; H632-A636 WeakPolarHBondContact O-CB 3.45Å; H632-A636 PolarHBondContact O-N 3.29Å
633	L	91.3	Very high	88.8	Confident	133 Å²	133	42.2 Å²	42.2	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-67.2	-45.4	-177.7	-178.5	61	0	0	0	111.9	S631 A636 S637	S631-L633 VanDerWaalsContact C-N 3.31Å; S631-L633 PolarHBondContact O-N 3.28Å; L633-A636 PolarHBondContact O-N 3.22Å; L633-S637 PolarHBondContact O-N 3.02Å
634	E	89.8	Confident	90.2	Very high	78 Å²	78	46.5 Å²	46.5	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-40	175.8	-68.5	179.7	176.9	0	0	111.6	Y617 S631 A636 S637 V638	Y617-E634 PolarHBondContact OH-OE2 2.87Å; S631-E634 VanDerWaalsContact OG-CB 3.24Å; S631-E634 WeakPolarHBondContact OG-CB 3.43Å; S631-E634 WeakPolarHBondContact OG-CG 3.37Å; S631-E634 PolarHBondContact OG-N 2.93Å; E634-A636 VanDerWaalsContact C-N 3.27Å; E634-A636 PolarHBondContact O-N 3.17Å; E634-S637 PolarHBondContact O-N 2.94Å; E634-S637 PolarHBondContact O-OG 3.21Å; E634-V638 WeakPolarHBondContact O-CB 3.22Å; E634-V638 VanDerWaalsContact O-CG2 3.29Å; E634-V638 WeakPolarHBondContact O-CG2 3.25Å; E634-V638 PolarHBondContact O-N 3.11Å
635	T	91.5	Very high	91.3	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-40.1	176.1	-57	0	0	0	0	111.1	V278 Y630 S631 H632 F639	V278-T635 HydrophobicContact CG2-CG2 4.02Å; Y630-T635 WeakPolarHBondContact CD2-OG1 3.44Å; Y630-T635 WeakPolarHBondContact CE2-OG1 3.06Å; S631-T635 WeakPolarHBondContact O-CB 3Å; S631-T635 PolarHBondContact O-N 3.47Å; S631-T635 PolarHBondContact O-OG1 3.3Å; H632-T635 PolarHBondContact O-N 3.4Å; T635-F639 WeakPolarHBondContact O-CB 3.49Å; T635-F639 PolarHBondContact O-N 3.44Å
636	A	93.3	Very high	92.4	Very high	31 Å²	31	44.3 Å²	44.3	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-68.2	-38.6	176.4	0	0	0	0	0	112.8	F10 H632 L633 E634 F639 A640	F10-A636 HydrophobicContact CD1-CB 3.98Å; F10-A636 HydrophobicContact CE1-CB 4.2Å; H632-A636 WeakPolarHBondContact O-CB 3.45Å; H632-A636 PolarHBondContact O-N 3.29Å; L633-A636 PolarHBondContact O-N 3.22Å; E634-A636 VanDerWaalsContact C-N 3.27Å; E634-A636 PolarHBondContact O-N 3.17Å; A636-F639 PolarHBondContact O-N 3.5Å; A636-A640 PolarHBondContact O-N 3.44Å
637	S	93.8	Very high	93.1	Very high	59 Å²	59	43.2 Å²	43.2	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-68.4	-44.4	177.6	72.8	0	0	0	0	111.5	L633 E634 F639 A640 L641	L633-S637 PolarHBondContact O-N 3.02Å; E634-S637 PolarHBondContact O-N 2.94Å; E634-S637 PolarHBondContact O-OG 3.21Å; S637-F639 VanDerWaalsContact C-N 3.3Å; S637-F639 PolarHBondContact O-N 3.48Å; S637-A640 PolarHBondContact O-N 2.86Å; S637-L641 WeakPolarHBondContact O-CG 3.42Å; S637-L641 PolarHBondContact O-N 2.83Å; S637-L641 VanDerWaalsContact O-N 3.09Å
638	V	93.9	Very high	93.7	Very high	16 Å²	16	47 Å²	47	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-41.9	172.8	175.4	0	0	0	0	110.3	L277 Y617 E634 A640 L641 V642	L277-V638 HydrophobicContact CD1-CG1 3.87Å; L277-V638 HydrophobicContact CD2-CG1 4.21Å; Y617-V638 HydrophobicContact CD2-CG2 4.26Å; Y617-V638 HydrophobicContact CE2-CG2 4.4Å; E634-V638 WeakPolarHBondContact O-CB 3.22Å; E634-V638 VanDerWaalsContact O-CG2 3.29Å; E634-V638 WeakPolarHBondContact O-CG2 3.25Å; E634-V638 PolarHBondContact O-N 3.11Å; V638-A640 PolarHBondContact O-N 2.82Å; V638-L641 PolarHBondContact O-N 3.08Å; V638-V642 HydrophobicContact CG1-CG2 4.11Å; V638-V642 WeakPolarHBondContact O-CB 3.45Å; V638-V642 VanDerWaalsContact O-CG2 3.26Å; V638-V642 WeakPolarHBondContact O-CG2 3.31Å; V638-V642 PolarHBondContact O-N 2.82Å
639	F	95.7	Very high	94.1	Very high	18 Å²	18	48.9 Å²	48.9	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-46.3	175.6	176.5	-112.9	0	0	0	112.7	F6 M273 A274 L277 T635 A636 S637 L641 V642 L643	F6-F639 HydrophobicContact CE1-CD1 4.23Å; F6-F639 AromaticContact CE1-CE1 3.61Å; F6-F639 HydrophobicContact CE1-CE1 3.61Å; F6-F639 HydrophobicContact CE1-CZ 4.34Å; F6-F639 AromaticContact CZ-CE1 3.89Å; F6-F639 HydrophobicContact CZ-CE1 3.89Å; F6-F639 HydrophobicContact CZ-CZ 4.23Å; M273-F639 HydrophobicContact CB-CE2 4.3Å; M273-F639 HydrophobicContact CG-CE2 4.46Å; A274-F639 VanDerWaalsContact CA-CE2 3.44Å; A274-F639 HydrophobicContact CB-CD2 3.9Å; A274-F639 HydrophobicContact CB-CE2 3.5Å; A274-F639 HydrophobicContact CB-CZ 3.84Å; L277-F639 VanDerWaalsContact CD2-CA 3.47Å; L277-F639 HydrophobicContact CD2-CB 3.58Å; L277-F639 HydrophobicContact CD2-CD2 4.1Å; L277-F639 HydrophobicContact CD2-CG 4.34Å; T635-F639 WeakPolarHBondContact O-CB 3.49Å; T635-F639 PolarHBondContact O-N 3.44Å; A636-F639 PolarHBondContact O-N 3.5Å; S637-F639 VanDerWaalsContact C-N 3.3Å; S637-F639 PolarHBondContact O-N 3.48Å; F639-L641 VanDerWaalsContact C-N 3.33Å; F639-L641 PolarHBondContact O-N 3.3Å; F639-V642 PolarHBondContact O-N 3.26Å; F639-L643 HydrophobicContact CE1-CD2 4.14Å; F639-L643 HydrophobicContact CE2-CB 4.44Å; F639-L643 HydrophobicContact CZ-CB 4.41Å; F639-L643 HydrophobicContact CZ-CD1 4.36Å; F639-L643 HydrophobicContact CZ-CD2 4.05Å; F639-L643 VanDerWaalsContact O-CB 3.23Å; F639-L643 WeakPolarHBondContact O-CB 3.06Å; F639-L643 PolarHBondContact O-N 3.32Å
640	A	96.7	Very high	94.6	Very high	58 Å²	58	45 Å²	45	48%	0.479	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-42.9	178.7	0	0	0	0	0	111.8	A636 S637 V638 F644	A636-A640 PolarHBondContact O-N 3.44Å; S637-A640 PolarHBondContact O-N 2.86Å; V638-A640 PolarHBondContact O-N 2.82Å; A640-F644 WeakPolarHBondContact O-CB 3.47Å; A640-F644 PolarHBondContact O-N 3.48Å
641	L	96.3	Very high	95	Very high	92 Å²	92	44.8 Å²	44.8	48%	0.482	25%	0.253	S	S	.	.	H	α-helix	trans	-64.8	-45.4	177	-69.1	172.5	0	0	0	112.3	F613 S637 V638 F639 F644 S645	F613-L641 HydrophobicContact CD1-CB 4.41Å; F613-L641 HydrophobicContact CE1-CB 4.02Å; F613-L641 HydrophobicContact CZ-CB 4.49Å; S637-L641 WeakPolarHBondContact O-CG 3.42Å; S637-L641 PolarHBondContact O-N 2.83Å; S637-L641 VanDerWaalsContact O-N 3.09Å; V638-L641 PolarHBondContact O-N 3.08Å; F639-L641 VanDerWaalsContact C-N 3.33Å; F639-L641 PolarHBondContact O-N 3.3Å; L641-F644 PolarHBondContact O-N 2.82Å; L641-S645 VanDerWaalsContact O-CB 3.24Å; L641-S645 WeakPolarHBondContact O-CB 3.45Å; L641-S645 PolarHBondContact O-N 3.21Å; L641-S645 PolarHBondContact O-OG 3.36Å
642	V	97.2	Very high	95.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.8	177.9	167.9	0	0	0	0	110.8	M273 V609 V610 F613 V638 F639 S645 S646	M273-V642 HydrophobicContact CG-CG1 4.19Å; M273-V642 HydrophobicContact SD-CG1 3.9Å; V609-V642 HydrophobicContact CG1-CG1 4.32Å; V610-V642 HydrophobicContact CG2-CG1 3.62Å; F613-V642 HydrophobicContact CB-CG2 3.75Å; F613-V642 HydrophobicContact CD2-CG2 3.88Å; F613-V642 HydrophobicContact CG-CG2 3.84Å; V638-V642 HydrophobicContact CG1-CG2 4.11Å; V638-V642 WeakPolarHBondContact O-CB 3.45Å; V638-V642 VanDerWaalsContact O-CG2 3.26Å; V638-V642 WeakPolarHBondContact O-CG2 3.31Å; V638-V642 PolarHBondContact O-N 2.82Å; F639-V642 PolarHBondContact O-N 3.26Å; V642-S645 PolarHBondContact O-N 3.04Å; V642-S646 WeakPolarHBondContact O-CB 3.48Å; V642-S646 PolarHBondContact O-N 2.8Å; V642-S646 PolarHBondContact O-OG 2.9Å
643	L	97.6	Very high	95.6	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-50	178.1	-175.7	67.2	0	0	0	110.8	A270 M273 F639 S646 Y647	A270-L643 HydrophobicContact CB-CD1 4.11Å; M273-L643 HydrophobicContact CE-CD1 3.73Å; M273-L643 HydrophobicContact SD-CB 4.21Å; M273-L643 HydrophobicContact SD-CD1 3.75Å; F639-L643 HydrophobicContact CE1-CD2 4.14Å; F639-L643 HydrophobicContact CE2-CB 4.44Å; F639-L643 HydrophobicContact CZ-CB 4.41Å; F639-L643 HydrophobicContact CZ-CD1 4.36Å; F639-L643 HydrophobicContact CZ-CD2 4.05Å; F639-L643 VanDerWaalsContact O-CB 3.23Å; F639-L643 WeakPolarHBondContact O-CB 3.06Å; F639-L643 PolarHBondContact O-N 3.32Å; L643-S646 PolarHBondContact O-N 3.48Å; L643-Y647 HydrophobicContact CD1-CD2 4.12Å; L643-Y647 HydrophobicContact CD1-CE2 3.79Å; L643-Y647 HydrophobicContact CG-CD2 4.45Å; L643-Y647 HydrophobicContact CG-CE2 4.49Å; L643-Y647 WeakPolarHBondContact O-CD2 3.32Å; L643-Y647 PolarHBondContact O-N 3.11Å
644	F	97.3	Very high	95.9	Very high	143 Å²	143	41.8 Å²	41.8	63%	0.627	23%	0.23	S	C	*	.	H	α-helix	trans	-59.5	-52	177.4	-179.3	-101.9	0	0	0	111.4	A640 L641 S646 Y647 I648	A640-F644 WeakPolarHBondContact O-CB 3.47Å; A640-F644 PolarHBondContact O-N 3.48Å; L641-F644 PolarHBondContact O-N 2.82Å; F644-S646 VanDerWaalsContact C-N 3.31Å; F644-S646 PolarHBondContact O-N 2.86Å; F644-Y647 PolarHBondContact O-N 2.83Å; F644-I648 HydrophobicContact CD1-CG1 4.3Å; F644-I648 HydrophobicContact CE1-CG1 3.96Å; F644-I648 HydrophobicContact CE2-CD1 4.49Å; F644-I648 HydrophobicContact CE2-CG1 4.44Å; F644-I648 HydrophobicContact CZ-CD1 4.16Å; F644-I648 HydrophobicContact CZ-CG1 4.03Å; F644-I648 WeakPolarHBondContact O-CG1 3.31Å; F644-I648 PolarHBondContact O-N 3.27Å
645	S	97.6	Very high	96.2	Very high	27 Å²	27	40.6 Å²	40.6	19%	0.189	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-32.8	-177.1	-56.6	0	0	0	0	113	F613 L641 V642 I648 S649	F613-S645 WeakPolarHBondContact CE2-OG 3.17Å; F613-S645 VanDerWaalsContact CZ-OG 3.24Å; F613-S645 WeakPolarHBondContact CZ-OG 3.3Å; L641-S645 VanDerWaalsContact O-CB 3.24Å; L641-S645 WeakPolarHBondContact O-CB 3.45Å; L641-S645 PolarHBondContact O-N 3.21Å; L641-S645 PolarHBondContact O-OG 3.36Å; V642-S645 PolarHBondContact O-N 3.04Å; S645-I648 PolarHBondContact O-N 3.29Å; S645-S649 WeakPolarHBondContact O-CB 3.45Å; S645-S649 PolarHBondContact O-N 2.9Å; S645-S649 PolarHBondContact O-OG 3.19Å
646	S	98	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-42.2	175.4	-64.1	0	0	0	0	111.8	V609 V642 L643 F644 S649 A650	V609-S646 WeakPolarHBondContact CG1-OG 3.38Å; V642-S646 WeakPolarHBondContact O-CB 3.48Å; V642-S646 PolarHBondContact O-N 2.8Å; V642-S646 PolarHBondContact O-OG 2.9Å; L643-S646 PolarHBondContact O-N 3.48Å; F644-S646 VanDerWaalsContact C-N 3.31Å; F644-S646 PolarHBondContact O-N 2.86Å; S646-S649 PolarHBondContact O-N 3.42Å; S646-A650 VanDerWaalsContact O-CB 3.25Å; S646-A650 WeakPolarHBondContact O-CB 3.33Å; S646-A650 PolarHBondContact O-N 3.18Å
647	Y	97.8	Very high	96.5	Very high	24 Å²	24	40 Å²	40	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-71.3	-34.2	176.5	-86	-76.2	0	0	0	113	L595 L598 C602 L643 F644 A650 G651	L595-Y647 HydrophobicContact CB-CE1 4.01Å; L595-Y647 HydrophobicContact CD2-CD1 3.73Å; L595-Y647 HydrophobicContact CD2-CE1 3.97Å; L595-Y647 HydrophobicContact CD2-CG 4.13Å; L595-Y647 WeakPolarHBondContact O-CE1 3.41Å; L598-Y647 HydrophobicContact CB-CD1 4.15Å; L598-Y647 HydrophobicContact CB-CE1 4.35Å; L598-Y647 HydrophobicContact CD1-CD1 4.42Å; C602-Y647 HydrophobicContact CB-CD1 4.45Å; C602-Y647 HydrophobicContact CB-CE1 4.3Å; L643-Y647 HydrophobicContact CD1-CD2 4.12Å; L643-Y647 HydrophobicContact CD1-CE2 3.79Å; L643-Y647 HydrophobicContact CG-CD2 4.45Å; L643-Y647 HydrophobicContact CG-CE2 4.49Å; L643-Y647 WeakPolarHBondContact O-CD2 3.32Å; L643-Y647 PolarHBondContact O-N 3.11Å; F644-Y647 PolarHBondContact O-N 2.83Å; Y647-A650 PolarHBondContact O-N 3.33Å; Y647-G651 PolarHBondContact O-N 2.88Å
648	I	97.5	Very high	96.5	Very high	83 Å²	83	38 Å²	38	43%	0.426	20%	0.2	S	C	.	.	H	α-helix	trans	-63.4	-48.6	171.8	-66.4	-62	0	0	0	110.5	F644 S645 A650 G651 F652	F644-I648 HydrophobicContact CD1-CG1 4.3Å; F644-I648 HydrophobicContact CE1-CG1 3.96Å; F644-I648 HydrophobicContact CE2-CD1 4.49Å; F644-I648 HydrophobicContact CE2-CG1 4.44Å; F644-I648 HydrophobicContact CZ-CD1 4.16Å; F644-I648 HydrophobicContact CZ-CG1 4.03Å; F644-I648 WeakPolarHBondContact O-CG1 3.31Å; F644-I648 PolarHBondContact O-N 3.27Å; S645-I648 PolarHBondContact O-N 3.29Å; I648-A650 VanDerWaalsContact C-N 3.31Å; I648-A650 PolarHBondContact O-N 3Å; I648-G651 WeakPolarHBondContact O-CA 3.27Å; I648-G651 PolarHBondContact O-N 3.37Å; I648-F652 HydrophobicContact CG2-CD2 4.24Å; I648-F652 HydrophobicContact CG2-CE2 3.74Å; I648-F652 VanDerWaalsContact O-CD2 3.29Å; I648-F652 WeakPolarHBondContact O-CD2 3.3Å; I648-F652 PolarHBondContact O-N 3.27Å
649	S	96.7	Very high	96.5	Very high	39 Å²	39	37.3 Å²	37.3	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-60.5	-40.8	176.5	-58	0	0	0	0	111.9	S645 S646 G651 F652 L653	S645-S649 WeakPolarHBondContact O-CB 3.45Å; S645-S649 PolarHBondContact O-N 2.9Å; S645-S649 PolarHBondContact O-OG 3.19Å; S646-S649 PolarHBondContact O-N 3.42Å; S649-G651 VanDerWaalsContact C-N 3.28Å; S649-G651 PolarHBondContact O-N 3.47Å; S649-F652 PolarHBondContact O-N 3.39Å; S649-L653 PolarHBondContact O-N 3.37Å; S649-L653 VanDerWaalsContact O-N 3.12Å
650	A	97.6	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-36.6	173.3	0	0	0	0	0	112.4	L598 C602 S646 Y647 I648 L653 F654	L598-A650 HydrophobicContact CB-CB 4.23Å; C602-A650 HydrophobicContact CB-CB 3.71Å; C602-A650 VanDerWaalsContact N-CB 3.35Å; S646-A650 VanDerWaalsContact O-CB 3.25Å; S646-A650 WeakPolarHBondContact O-CB 3.33Å; S646-A650 PolarHBondContact O-N 3.18Å; Y647-A650 PolarHBondContact O-N 3.33Å; I648-A650 VanDerWaalsContact C-N 3.31Å; I648-A650 PolarHBondContact O-N 3Å; A650-L653 PolarHBondContact O-N 2.9Å; A650-F654 VanDerWaalsContact O-CB 3.27Å; A650-F654 WeakPolarHBondContact O-CB 3.38Å; A650-F654 PolarHBondContact O-N 3.42Å
651	G	96.6	Very high	96.2	Very high	11 Å²	11	34.7 Å²	34.7	11%	0.113	18%	0.176	C	C	.	.	H	α-helix	trans	-56.7	-50.2	172.8	0	0	0	0	0	111.8	Y647 I648 S649 L653 F654 F655	Y647-G651 PolarHBondContact O-N 2.88Å; I648-G651 WeakPolarHBondContact O-CA 3.27Å; I648-G651 PolarHBondContact O-N 3.37Å; S649-G651 VanDerWaalsContact C-N 3.28Å; S649-G651 PolarHBondContact O-N 3.47Å; G651-L653 PolarHBondContact O-N 3.23Å; G651-F654 WeakPolarHBondContact O-CB 3.49Å; G651-F654 PolarHBondContact O-N 2.94Å; G651-F654 VanDerWaalsContact O-N 3.16Å; G651-F655 WeakPolarHBondContact O-CD2 2.99Å; G651-F655 PolarHBondContact O-N 3.13Å
652	F	96	Very high	95.9	Very high	137 Å²	137	30.6 Å²	30.6	60%	0.601	16%	0.156	S	C	*	.	H	α-helix	trans	-59.2	-47.2	176.8	-71.1	-70.9	0	0	0	112.4	I648 S649 F654 F655 L656	I648-F652 HydrophobicContact CG2-CD2 4.24Å; I648-F652 HydrophobicContact CG2-CE2 3.74Å; I648-F652 VanDerWaalsContact O-CD2 3.29Å; I648-F652 WeakPolarHBondContact O-CD2 3.3Å; I648-F652 PolarHBondContact O-N 3.27Å; S649-F652 PolarHBondContact O-N 3.39Å; F652-F654 VanDerWaalsContact C-N 3.26Å; F652-F654 PolarHBondContact O-N 3.35Å; F652-F655 PolarHBondContact O-N 3.23Å; F652-L656 WeakPolarHBondContact O-CB 3.45Å; F652-L656 VanDerWaalsContact O-CG 3.31Å; F652-L656 WeakPolarHBondContact O-CG 3.41Å; F652-L656 PolarHBondContact O-N 3.48Å
653	L	96.1	Very high	95.6	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-39.3	175.4	-70.6	176.3	0	0	0	112.3	F361 L365 I605 S649 A650 G651 V657 E658	F361-L653 HydrophobicContact CD1-CD2 3.57Å; F361-L653 HydrophobicContact CE1-CD2 3.63Å; L365-L653 HydrophobicContact CD1-CD2 3.78Å; I605-L653 HydrophobicContact CB-CD1 3.86Å; I605-L653 HydrophobicContact CG1-CD1 4.28Å; I605-L653 HydrophobicContact CG2-CD1 4.12Å; S649-L653 PolarHBondContact O-N 3.37Å; S649-L653 VanDerWaalsContact O-N 3.12Å; A650-L653 PolarHBondContact O-N 2.9Å; G651-L653 PolarHBondContact O-N 3.23Å; L653-V657 PolarHBondContact O-N 3.27Å; L653-E658 PolarHBondContact O-N 2.92Å; L653-E658 VanDerWaalsContact O-N 3.17Å
654	F	96.2	Very high	95.3	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.018	16%	0.161	C	C	.	.	I	π-helix	trans	-66.7	-45.3	179	-179.8	-88.5	0	0	0	112.1	S244 L248 L598 A650 G651 F652 E658 G659	S244-F654 WeakPolarHBondContact O-CE1 3.45Å; L248-F654 HydrophobicContact CB-CE1 3.87Å; L248-F654 HydrophobicContact CB-CZ 4.16Å; L248-F654 HydrophobicContact CD1-CD1 4.41Å; L248-F654 HydrophobicContact CD1-CE1 4.17Å; L248-F654 HydrophobicContact CD1-CZ 4.26Å; L598-F654 HydrophobicContact CD2-CB 3.37Å; L598-F654 HydrophobicContact CD2-CD1 4.21Å; L598-F654 HydrophobicContact CD2-CD2 3.94Å; L598-F654 HydrophobicContact CD2-CG 3.59Å; A650-F654 VanDerWaalsContact O-CB 3.27Å; A650-F654 WeakPolarHBondContact O-CB 3.38Å; A650-F654 PolarHBondContact O-N 3.42Å; G651-F654 WeakPolarHBondContact O-CB 3.49Å; G651-F654 PolarHBondContact O-N 2.94Å; G651-F654 VanDerWaalsContact O-N 3.16Å; F652-F654 VanDerWaalsContact C-N 3.26Å; F652-F654 PolarHBondContact O-N 3.35Å; F654-E658 HydrophobicContact CB-CB 4.4Å; F654-E658 HydrophobicContact CD2-CB 3.83Å; F654-E658 HydrophobicContact CD2-CG 4.05Å; F654-E658 HydrophobicContact CE2-CG 4.41Å; F654-E658 HydrophobicContact CG-CB 4.35Å; F654-E658 PolarHBondContact O-N 3.17Å; F654-G659 WeakPolarHBondContact O-CA 3.38Å; F654-G659 PolarHBondContact O-N 2.79Å
655	F	96	Very high	94.9	Very high	53 Å²	53	26.4 Å²	26.4	23%	0.232	14%	0.137	C	C	.	.	I	π-helix	trans	-69.6	-39.8	-179.9	-79.1	-70.7	0	0	0	112.8	M211 A241 C245 L248 G651 F652 P660	M211-F655 HydrophobicContact SD-CB 4.16Å; A241-F655 HydrophobicContact CB-CD1 4.36Å; C245-F655 HydrophobicContact CB-CE1 3.93Å; C245-F655 HydrophobicContact CB-CZ 4.22Å; L248-F655 HydrophobicContact CD2-CE2 4.44Å; L248-F655 HydrophobicContact CD2-CZ 4.23Å; G651-F655 WeakPolarHBondContact O-CD2 2.99Å; G651-F655 PolarHBondContact O-N 3.13Å; F652-F655 PolarHBondContact O-N 3.23Å; F655-P660 WeakPolarHBondContact O-CD 2.91Å; F655-P660 VanDerWaalsContact O-CG 3.3Å; F655-P660 WeakPolarHBondContact O-CG 3.33Å
656	L	95.7	Very high	94.4	Very high	18 Å²	18	28.3 Å²	28.3	9%	0.094	15%	0.151	C	C	.	.	I	π-helix	trans	-77.1	-37.9	-177.9	-66.2	174.7	0	0	0	112.8	L207 V208 M211 F652	L207-L656 HydrophobicContact CB-CD2 4.18Å; V208-L656 HydrophobicContact CG2-CD2 3.7Å; M211-L656 HydrophobicContact CE-CD2 4.23Å; M211-L656 HydrophobicContact SD-CD2 4.25Å; F652-L656 WeakPolarHBondContact O-CB 3.45Å; F652-L656 VanDerWaalsContact O-CG 3.31Å; F652-L656 WeakPolarHBondContact O-CG 3.41Å; F652-L656 PolarHBondContact O-N 3.48Å
657	V	96.1	Very high	93.8	Very high	15 Å²	15	30.9 Å²	30.9	9%	0.091	16%	0.164	C	C	.	.	I	π-helix	trans	-129.4	-55.6	-168.2	-171.6	0	0	0	0	113.5	L207 P357 V358 F361 L653 P660 S661	L207-V657 HydrophobicContact CD1-CG2 3.92Å; P357-V657 HydrophobicContact CB-CG1 4.13Å; V358-V657 HydrophobicContact CB-CG1 4.46Å; V358-V657 HydrophobicContact CG2-CB 4.43Å; V358-V657 HydrophobicContact CG2-CG1 4.05Å; F361-V657 HydrophobicContact CB-CG1 4.38Å; F361-V657 HydrophobicContact CB-CG2 4.16Å; F361-V657 HydrophobicContact CD1-CG2 3.78Å; F361-V657 HydrophobicContact CD2-CG2 4.2Å; F361-V657 HydrophobicContact CE1-CG2 4.17Å; F361-V657 HydrophobicContact CG-CG2 3.78Å; L653-V657 PolarHBondContact O-N 3.27Å; V657-P660 WeakPolarHBondContact O-CD 3.42Å; V657-S661 WeakPolarHBondContact O-CB 3.5Å; V657-S661 PolarHBondContact O-N 3.03Å; V657-S661 PolarHBondContact O-OG 3.45Å
658	E	94.8	Very high	93.3	Very high	19 Å²	19	34.4 Å²	34.4	9%	0.089	18%	0.184	C	C	.	.	I	π-helix	trans	-65.1	-47.1	-170.3	-165.8	177.9	154.7	0	0	113.5	V358 S601 L653 F654 S661 G662	V358-E658 VanDerWaalsContact CG2-CA 3.4Å; V358-E658 HydrophobicContact CG2-CB 3.43Å; V358-E658 VanDerWaalsContact CG2-CB 3.43Å; V358-E658 HydrophobicContact CG2-CG 3.72Å; S601-E658 PolarHBondContact OG-OE2 3.29Å; L653-E658 PolarHBondContact O-N 2.92Å; L653-E658 VanDerWaalsContact O-N 3.17Å; F654-E658 HydrophobicContact CB-CB 4.4Å; F654-E658 HydrophobicContact CD2-CB 3.83Å; F654-E658 HydrophobicContact CD2-CG 4.05Å; F654-E658 HydrophobicContact CE2-CG 4.41Å; F654-E658 HydrophobicContact CG-CB 4.35Å; F654-E658 PolarHBondContact O-N 3.17Å; E658-S661 PolarHBondContact O-OG 2.88Å; E658-G662 PolarHBondContact O-N 3.47Å
659	G	92.4	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-61.2	176.9	0	0	0	0	0	110.6	R247 F654 S661 G662 N663	R247-G659 PolarHBondContact NH1-O 2.84Å; F654-G659 WeakPolarHBondContact O-CA 3.38Å; F654-G659 PolarHBondContact O-N 2.79Å; G659-S661 PolarHBondContact O-N 2.69Å; G659-G662 PolarHBondContact O-N 3.44Å; G659-N663 WeakPolarHBondContact O-CB 3.44Å; G659-N663 PolarHBondContact O-N 3.09Å; G659-N663 PolarHBondContact O-ND2 3.2Å; G659-N663 PolarHBondContact O-OD1 3.34Å
660	P	94.1	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.8	-49.2	-179.3	-25.7	34.9	0	0	0	113.5	Q238 F239 F655 V657 G662 N663 I664	Q238-P660 WeakPolarHBondContact O-CA 3.24Å; F239-P660 HydrophobicContact CB-CB 4.39Å; F239-P660 HydrophobicContact CB-CG 4.43Å; F239-P660 HydrophobicContact CD1-CB 3.46Å; F239-P660 VanDerWaalsContact CD1-CB 3.46Å; F239-P660 HydrophobicContact CD1-CG 3.7Å; F239-P660 HydrophobicContact CD2-CB 4.31Å; F239-P660 HydrophobicContact CE1-CB 3.67Å; F239-P660 HydrophobicContact CE1-CG 4.23Å; F239-P660 HydrophobicContact CG-CB 3.81Å; F239-P660 HydrophobicContact CG-CG 4.22Å; F239-P660 HydrophobicContact CZ-CB 4.21Å; F655-P660 WeakPolarHBondContact O-CD 2.91Å; F655-P660 VanDerWaalsContact O-CG 3.3Å; F655-P660 WeakPolarHBondContact O-CG 3.33Å; V657-P660 WeakPolarHBondContact O-CD 3.42Å; P660-G662 PolarHBondContact O-N 3.12Å; P660-N663 WeakPolarHBondContact O-CB 3.46Å; P660-N663 PolarHBondContact O-N 2.85Å; P660-N663 VanDerWaalsContact O-N 3.14Å; P660-I664 WeakPolarHBondContact O-CG1 3.33Å; P660-I664 PolarHBondContact O-N 3.13Å
661	S	93.2	Very high	91	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-41.8	-179.6	62.2	0	0	0	0	112.2	V657 E658 G659 N663 I664 R665	V657-S661 WeakPolarHBondContact O-CB 3.5Å; V657-S661 PolarHBondContact O-N 3.03Å; V657-S661 PolarHBondContact O-OG 3.45Å; E658-S661 PolarHBondContact O-OG 2.88Å; G659-S661 PolarHBondContact O-N 2.69Å; S661-N663 VanDerWaalsContact C-N 3.3Å; S661-N663 PolarHBondContact O-N 2.99Å; S661-I664 PolarHBondContact O-N 3.47Å; S661-R665 VanDerWaalsContact O-CB 3.27Å; S661-R665 WeakPolarHBondContact O-CB 3.49Å; S661-R665 PolarHBondContact O-N 3.38Å
662	G	90	Very high	90	Very high	5 Å²	5	52.2 Å²	52.2	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-31.4	176.8	0	0	0	0	0	113.3	R247 E658 G659 P660 S666	R247-G662 VanDerWaalsContact NH1-CA 3.28Å; E658-G662 PolarHBondContact O-N 3.47Å; G659-G662 PolarHBondContact O-N 3.44Å; P660-G662 PolarHBondContact O-N 3.12Å; G662-S666 WeakPolarHBondContact O-CB 3.48Å; G662-S666 PolarHBondContact O-N 2.93Å; G662-S666 PolarHBondContact O-OG 2.92Å
663	N	89.5	Confident	88.8	Confident	18 Å²	18	48.7 Å²	48.7	10%	0.096	22%	0.223	C	C	.	.	H	α-helix	trans	-73	-42.7	175.7	-68.3	-13.3	0	0	0	111.5	Q238 R247 G659 P660 S661 S666 L667	Q238-N663 HydrophobicContact CB-CB 3.81Å; Q238-N663 HydrophobicContact CG-CB 4.13Å; Q238-N663 PolarHBondContact O-ND2 2.86Å; R247-N663 WeakPolarHBondContact CD-OD1 3.36Å; R247-N663 PolarHBondContact NH1-OD1 3.14Å; G659-N663 WeakPolarHBondContact O-CB 3.44Å; G659-N663 PolarHBondContact O-N 3.09Å; G659-N663 PolarHBondContact O-ND2 3.2Å; G659-N663 PolarHBondContact O-OD1 3.34Å; P660-N663 WeakPolarHBondContact O-CB 3.46Å; P660-N663 PolarHBondContact O-N 2.85Å; P660-N663 VanDerWaalsContact O-N 3.14Å; S661-N663 VanDerWaalsContact C-N 3.3Å; S661-N663 PolarHBondContact O-N 2.99Å; N663-S666 PolarHBondContact O-N 3.38Å; N663-S666 PolarHBondContact O-OG 2.76Å; N663-L667 WeakPolarHBondContact O-CB 3.37Å; N663-L667 PolarHBondContact O-N 2.9Å
664	I	91.2	Very high	87.3	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-47.8	174.3	-69.2	166.6	0	0	0	110.2	L235 Q238 F239 P660 S661 S666 L667 L668	L235-I664 HydrophobicContact CD2-CB 4.48Å; L235-I664 HydrophobicContact CD2-CG1 4.16Å; L235-I664 HydrophobicContact CD2-CG2 3.81Å; Q238-I664 HydrophobicContact CB-CD1 4.48Å; Q238-I664 HydrophobicContact CB-CG1 3.74Å; Q238-I664 HydrophobicContact CG-CG1 3.89Å; F239-I664 HydrophobicContact CD2-CD1 4.42Å; F239-I664 HydrophobicContact CE2-CD1 3.66Å; F239-I664 HydrophobicContact CZ-CD1 4.09Å; P660-I664 WeakPolarHBondContact O-CG1 3.33Å; P660-I664 PolarHBondContact O-N 3.13Å; S661-I664 PolarHBondContact O-N 3.47Å; I664-S666 VanDerWaalsContact C-N 3.35Å; I664-S666 PolarHBondContact O-N 3.2Å; I664-L667 WeakPolarHBondContact O-CB 3.2Å; I664-L667 PolarHBondContact O-N 3.11Å; I664-L668 HydrophobicContact CG2-CD1 3.81Å; I664-L668 HydrophobicContact CG2-CG 4.31Å; I664-L668 WeakPolarHBondContact O-CG 3.39Å; I664-L668 PolarHBondContact O-N 3.03Å
665	R	90.7	Very high	85.1	Confident	33 Å²	33	58.5 Å²	58.5	13%	0.125	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-46.4	176.7	-179.8	-168.9	62.5	140.5	-1.2	111.8	N350 R354 S661 L667 L668 L669	N350-R665 PolarHBondContact O-NH1 3.25Å; N350-R665 PolarHBondContact OD1-NH1 3.27Å; R354-R665 VanDerWaalsContact CG-NH1 3.29Å; S661-R665 VanDerWaalsContact O-CB 3.27Å; S661-R665 WeakPolarHBondContact O-CB 3.49Å; S661-R665 PolarHBondContact O-N 3.38Å; R665-L667 VanDerWaalsContact C-N 3.31Å; R665-L667 PolarHBondContact O-N 3.18Å; R665-L668 PolarHBondContact O-N 3.11Å; R665-L669 HydrophobicContact CG-CD1 3.81Å; R665-L669 HydrophobicContact CG-CG 4.48Å; R665-L669 WeakPolarHBondContact O-CB 3.39Å; R665-L669 WeakPolarHBondContact O-CG 3.43Å; R665-L669 PolarHBondContact O-N 2.92Å
666	S	86.4	Confident	82.5	Confident	67 Å²	67	58.9 Å²	58.9	47%	0.469	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-37.1	179.3	72.6	0	0	0	0	111.7	G662 N663 I664 R670	G662-S666 WeakPolarHBondContact O-CB 3.48Å; G662-S666 PolarHBondContact O-N 2.93Å; G662-S666 PolarHBondContact O-OG 2.92Å; N663-S666 PolarHBondContact O-N 3.38Å; N663-S666 PolarHBondContact O-OG 2.76Å; I664-S666 VanDerWaalsContact C-N 3.35Å; I664-S666 PolarHBondContact O-N 3.2Å; S666-R670 WeakPolarHBondContact O-CA 3.24Å; S666-R670 VanDerWaalsContact O-CB 3.25Å; S666-R670 WeakPolarHBondContact O-CB 3.44Å; S666-R670 PolarHBondContact O-N 3.46Å
667	L	86.1	Confident	79.4	Confident	54 Å²	54	66.7 Å²	66.7	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-49.3	174.4	-179.9	66	0	0	0	112.2	R234 L235 N663 I664 R665	R234-L667 HydrophobicContact CB-CD2 4.32Å; L235-L667 HydrophobicContact CD2-CD2 4.27Å; N663-L667 WeakPolarHBondContact O-CB 3.37Å; N663-L667 PolarHBondContact O-N 2.9Å; I664-L667 WeakPolarHBondContact O-CB 3.2Å; I664-L667 PolarHBondContact O-N 3.11Å; R665-L667 VanDerWaalsContact C-N 3.31Å; R665-L667 PolarHBondContact O-N 3.18Å
668	L	86.6	Confident	76.3	Confident	98 Å²	98	75 Å²	75	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-43.1	-178.4	-68.6	174.2	0	0	0	112	I664 R665	I664-L668 HydrophobicContact CG2-CD1 3.81Å; I664-L668 HydrophobicContact CG2-CG 4.31Å; I664-L668 WeakPolarHBondContact O-CG 3.39Å; I664-L668 PolarHBondContact O-N 3.03Å; R665-L668 PolarHBondContact O-N 3.11Å
669	L	85.8	Confident	73	Confident	26 Å²	26	82.9 Å²	82.9	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-86.5	-7.6	-176.9	-61.6	179.4	0	0	0	113.6	I346 N350 R665 R671 W672 F673	I346-L669 HydrophobicContact CG2-CD2 4.32Å; N350-L669 HydrophobicContact CB-CD1 3.7Å; N350-L669 VanDerWaalsContact OD1-CD1 3.24Å; N350-L669 WeakPolarHBondContact OD1-CD1 3.14Å; R665-L669 HydrophobicContact CG-CD1 3.81Å; R665-L669 HydrophobicContact CG-CG 4.48Å; R665-L669 WeakPolarHBondContact O-CB 3.39Å; R665-L669 WeakPolarHBondContact O-CG 3.43Å; R665-L669 PolarHBondContact O-N 2.92Å; L669-R671 PolarHBondContact O-N 2.84Å; L669-W672 PolarHBondContact O-N 3.49Å; L669-F673 HydrophobicContact CB-CD2 3.99Å; L669-F673 HydrophobicContact CB-CE2 3.92Å; L669-F673 HydrophobicContact CD1-CE2 4.26Å; L669-F673 WeakPolarHBondContact O-CD2 3.3Å; L669-F673 PolarHBondContact O-N 2.86Å; L669-F673 VanDerWaalsContact O-N 3.17Å
670	R	80.1	Confident	70	Confident	144 Å²	144	89.5 Å²	89.5	54%	0.543	42%	0.422	S	S	.	.	H	α-helix	trans	-53.7	-41.2	-179.6	-161.8	175.1	-174.4	-168.9	1.7	112.8	S666 W672 F673 R674	S666-R670 WeakPolarHBondContact O-CA 3.24Å; S666-R670 VanDerWaalsContact O-CB 3.25Å; S666-R670 WeakPolarHBondContact O-CB 3.44Å; S666-R670 PolarHBondContact O-N 3.46Å; R670-W672 PolarHBondContact O-N 3.17Å; R670-F673 PolarHBondContact O-N 2.81Å; R670-R674 HydrophobicContact CG-CG 4.5Å; R670-R674 PolarHBondContact O-N 3.33Å
671	R	77.6	Confident	66.8	Low	202 Å²	202	95.6 Å²	95.6	76%	0.762	47%	0.465	S	S	*	.	H	α-helix	trans	-62.5	-33.1	-179	-68.5	-176.8	178.7	176.8	-0.9	112.1	L669	L669-R671 PolarHBondContact O-N 2.84Å
672	W	75.9	Confident	63.8	Low	135 Å²	135	99 Å²	99	51%	0.511	49%	0.485	S	S	.	.	H	α-helix	trans	-83.4	-31.1	-178.8	-62.1	97.2	0	0	0	112.3	R333 I346 L669 R670	R333-W672 PolarHBondContact NH2-O 2.86Å; I346-W672 HydrophobicContact CD1-CB 4.29Å; I346-W672 HydrophobicContact CD1-CD2 3.54Å; I346-W672 HydrophobicContact CD1-CE3 3.37Å; I346-W672 HydrophobicContact CD1-CG 3.97Å; I346-W672 HydrophobicContact CD1-CH2 4.43Å; I346-W672 HydrophobicContact CD1-CZ3 3.86Å; I346-W672 HydrophobicContact CG2-CB 4.37Å; L669-W672 PolarHBondContact O-N 3.49Å; R670-W672 PolarHBondContact O-N 3.17Å
673	F	71.3	Confident	60.9	Low	64 Å²	64	107.3 Å²	107.3	28%	0.281	52%	0.522	S	S	.	.	H	α-helix	trans	-92.1	-12.3	-179.9	-69.2	-61.8	0	0	0	114.8	I346 N350 L669 R670 V675	I346-F673 HydrophobicContact CG2-CE2 4.47Å; I346-F673 HydrophobicContact CG2-CZ 4.13Å; N350-F673 HydrophobicContact CB-CE2 4.28Å; N350-F673 HydrophobicContact CB-CZ 4.17Å; L669-F673 HydrophobicContact CB-CD2 3.99Å; L669-F673 HydrophobicContact CB-CE2 3.92Å; L669-F673 HydrophobicContact CD1-CE2 4.26Å; L669-F673 WeakPolarHBondContact O-CD2 3.3Å; L669-F673 PolarHBondContact O-N 2.86Å; L669-F673 VanDerWaalsContact O-N 3.17Å; R670-F673 PolarHBondContact O-N 2.81Å; F673-V675 PolarHBondContact O-N 3.35Å; F673-V675 VanDerWaalsContact O-N 3.08Å
674	R	63	Low	58.3	Low	167 Å²	167	113.3 Å²	113.3	63%	0.63	55%	0.55	S	S	*	.			trans	-68.8	105.4	169.1	-86.2	-172.6	-179.8	-176.8	-1.4	109.4	R670	R670-R674 HydrophobicContact CG-CG 4.5Å; R670-R674 PolarHBondContact O-N 3.33Å
675	V	50.4	Low	55.5	Low	52 Å²	52	115.6 Å²	115.6	32%	0.315	57%	0.566	S	S	.	*			trans	-74.5	124.3	158.6	-179.2	0	0	0	0	106.2	K332 F673 H677	K332-V675 HydrophobicContact CB-CG2 4.41Å; F673-V675 PolarHBondContact O-N 3.35Å; F673-V675 VanDerWaalsContact O-N 3.08Å; V675-H677 PolarHBondContact O-N 3.21Å; V675-H677 VanDerWaalsContact O-N 3.16Å
676	G	40.8	Very low	53	Low	61 Å²	61	116.1 Å²	116.1	63%	0.629	57%	0.574	S	S	*	*			trans	-56.3	120.9	173.6	0	0	0	0	0	109.3	K678	G676-K678 VanDerWaalsContact C-N 3.32Å; G676-K678 PolarHBondContact O-N 2.73Å
677	H	32.5	Very low	50.7	Low	182 Å²	182	115.4 Å²	115.4	84%	0.843	57%	0.568	S	S	*	*			trans	-66.5	96.1	167.2	-94.6	-86.9	0	0	0	107	V675	V675-H677 PolarHBondContact O-N 3.21Å; V675-H677 VanDerWaalsContact O-N 3.16Å
678	K	29.5	Very low	48.7	Very low	190 Å²	190	118.4 Å²	118.4	83%	0.826	58%	0.579	S	S	*	*			trans	-83.8	113.6	142.8	-83.2	-172.9	172.3	-174	0	104.9	G676 E680	G676-K678 VanDerWaalsContact C-N 3.32Å; G676-K678 PolarHBondContact O-N 2.73Å; K678-E680 VanDerWaalsContact C-N 3.3Å; K678-E680 PolarHBondContact O-N 3.42Å
679	E	27	Very low	46.1	Very low	185 Å²	185	123.8 Å²	123.8	86%	0.864	59%	0.592	S	S	*	*			trans	-63	93.6	171.6	-72.6	177.1	154.9	0	0	108.4
680	E	27.8	Very low	43.5	Very low	138 Å²	138	125.8 Å²	125.8	65%	0.645	61%	0.612	S	S	*	*			trans	-123.2	116.6	156.6	-81.6	178.2	-179.6	0	0	106.9	K678 T682	K678-E680 VanDerWaalsContact C-N 3.3Å; K678-E680 PolarHBondContact O-N 3.42Å; E680-T682 PolarHBondContact O-N 3.26Å
681	S	27.3	Very low	41.1	Very low	128 Å²	128	128.3 Å²	128.3	90%	0.895	63%	0.63	S	S	*	*			trans	-65.4	74.3	176.2	54.5	0	0	0	0	110.5
682	T	31.4	Very low	38.8	Very low	94 Å²	94	125.9 Å²	125.9	58%	0.577	63%	0.632	S	S	*	*			trans	-87.6	115.7	177.1	49.2	0	0	0	0	110.6	E680 E684	E680-T682 PolarHBondContact O-N 3.26Å; T682-E684 PolarHBondContact O-N 3.14Å
683	Q	28.4	Very low	36.6	Very low	180 Å²	180	122.5 Å²	122.5	84%	0.841	64%	0.639	S	S	*	*			trans	-41.8	119.4	168.8	-72.9	172.8	-21.2	0	0	111.3	T685	Q683-T685 PolarHBondContact O-N 3.09Å
684	E	34.8	Very low	34.6	Very low	144 Å²	144	129.3 Å²	129.3	67%	0.673	67%	0.668	S	S	*	*			trans	-63.7	93.2	177.6	-67.7	-179.9	152.9	0	0	111.5	K513 T682	K513-E684 IonicContact NZ-OE2 3.51Å; K513-E684 PolarHBondContact NZ-OE2 3.5Å; T682-E684 PolarHBondContact O-N 3.14Å
685	T	31.6	Very low	32.9	Very low	84 Å²	84	127.2 Å²	127.2	52%	0.515	67%	0.674	S	S	.	*			trans	-72.1	128.3	170.3	48	0	0	0	0	110.3	R331 Q683	R331-T685 VanDerWaalsContact CZ-O 3.32Å; R331-T685 PolarHBondContact NH1-O 3.19Å; R331-T685 VanDerWaalsContact NH1-O 3.09Å; R331-T685 PolarHBondContact NH2-O 3.19Å; R331-T685 PolarHBondContact NH2-OG1 2.82Å; Q683-T685 PolarHBondContact O-N 3.09Å
686	S	38.5	Very low	32.1	Very low	43 Å²	43	130.2 Å²	130.2	30%	0.301	69%	0.694	S	S	.	*			trans	-72.1	143.3	176.7	169.1	0	0	0	0	110.9	F688 R689	S686-F688 PolarHBondContact O-N 3.07Å; S686-F688 VanDerWaalsContact O-N 3.09Å; S686-F688 PolarHBondContact OG-N 3.37Å; S686-F688 VanDerWaalsContact OG-N 3.1Å; S686-R689 PolarHBondContact O-N 3.07Å
687	P	38.8	Very low	31.8	Very low	52 Å²	52	134.7 Å²	134.7	34%	0.338	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.4	-12.8	170.8	26.1	-33.4	0	0	0	113.5
688	F	43.4	Very low	31.8	Very low	117 Å²	117	129.3 Å²	129.3	51%	0.513	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-6.3	178	-65.1	-70.8	0	0	0	114.8	S686 A690	S686-F688 PolarHBondContact O-N 3.07Å; S686-F688 VanDerWaalsContact O-N 3.09Å; S686-F688 PolarHBondContact OG-N 3.37Å; S686-F688 VanDerWaalsContact OG-N 3.1Å; F688-A690 PolarHBondContact O-N 3.07Å
689	R	31.5	Very low	32.3	Very low	212 Å²	212	124.7 Å²	124.7	80%	0.8	70%	0.695	S	S	*	*			trans	-78.4	92.1	169.4	-107.4	-177.2	-179.3	172	0.4	108.7	S686	S686-R689 PolarHBondContact O-N 3.07Å
690	A	32.8	Very low	32.8	Very low	67 Å²	67	123.7 Å²	123.7	55%	0.554	70%	0.695	S	S	*	*			trans	-57.4	149	158.3	0	0	0	0	0	108.7	F688 D692	F688-A690 PolarHBondContact O-N 3.07Å; A690-D692 PolarHBondContact O-N 3.03Å
691	H	28.7	Very low	33.3	Very low	197 Å²	197	123.4 Å²	123.4	91%	0.912	70%	0.703	S	S	*	*			trans	-56.2	83.5	169.2	-81.4	-88	0	0	0	110	G693	H691-G693 PolarHBondContact O-N 3.24Å
692	D	29.1	Very low	33.9	Very low	152 Å²	152	129.9 Å²	129.9	81%	0.813	72%	0.719	S	S	*	*			trans	-71.8	109.7	158.9	-74.6	-28.8	0	0	0	105.8	A690 K694	A690-D692 PolarHBondContact O-N 3.03Å; D692-K694 PolarHBondContact O-N 2.83Å
693	G	30.6	Very low	34.1	Very low	63 Å²	63	131.7 Å²	131.7	65%	0.649	73%	0.726	S	S	*	*			trans	-50.7	135.1	178.2	0	0	0	0	0	109.9	H691 V695	H691-G693 PolarHBondContact O-N 3.24Å; G693-V695 PolarHBondContact O-N 3.46Å
694	K	28	Very low	34.4	Very low	208 Å²	208	129.1 Å²	129.1	90%	0.904	72%	0.72	S	S	*	*			trans	-51.6	107.8	168.4	-70.1	178.4	174.5	-177.4	0	108.3	D692 P696	D692-K694 PolarHBondContact O-N 2.83Å; K694-P696 WeakPolarHBondContact O-CD 2.93Å
695	V	29.2	Very low	34.3	Very low	123 Å²	123	128.3 Å²	128.3	75%	0.745	72%	0.723	S	S	*	*			trans	-72.5	119.2	156.3	179.3	0	0	0	0	105.3	G693 N697	G693-V695 PolarHBondContact O-N 3.46Å; V695-N697 PolarHBondContact O-N 3.27Å
696	P	32.5	Very low	34.5	Very low	114 Å²	114	130.9 Å²	130.9	74%	0.74	74%	0.735	S	S	*	*			trans	-74.2	112.9	-179.7	27.9	-27.4	0	0	0	108.2	K694 G698	K694-P696 WeakPolarHBondContact O-CD 2.93Å; P696-G698 PolarHBondContact O-N 3.22Å
697	N	34.4	Very low	34.3	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	76%	0.762	S	S	*	*			trans	-64.4	115.3	162.8	-82.1	-2.8	0	0	0	107.1	V695	V695-N697 PolarHBondContact O-N 3.27Å
698	G	33.7	Very low	34	Very low	69 Å²	69	142 Å²	142	71%	0.711	79%	0.791	S	S	*	*			trans	-53.6	138.6	171.6	0	0	0	0	0	110.1	P696 D700	P696-G698 PolarHBondContact O-N 3.22Å; G698-D700 PolarHBondContact O-N 2.86Å
699	A	38.7	Very low	33.3	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	81%	0.81	S	S	*	*			trans	-62.3	127.9	174.9	0	0	0	0	0	109.8	T701	A699-T701 PolarHBondContact O-N 3.18Å
700	D	38.4	Very low	33.4	Very low	165 Å²	165	138.5 Å²	138.5	88%	0.882	81%	0.811	S	S	*	*			trans	-61.7	113.6	159.5	-68	-43.7	0	0	0	107.7	G698	G698-D700 PolarHBondContact O-N 2.86Å
701	T	38.2	Very low	33.5	Very low	132 Å²	132	144.5 Å²	144.5	81%	0.81	83%	0.833	S	S	*	*			trans	-73.9	112.7	162.3	42.5	0	0	0	0	108.3	A699	A699-T701 PolarHBondContact O-N 3.18Å
702	E	40.4	Very low	33.9	Very low	263 Å²	263	139.7 Å²	139.7	100%	1.229	83%	0.825	S	S	*	*			trans	-54.9	0	141.2	-70	-178.1	159.7	0	0	109.9

Retrieved 702 of 702 residues in 1357.5 ms (Link to these results)

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