A0A077YYU2_TRITR Loading...

PAS 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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	33.2	Very low	27	Very low	241 Å²	241	155.7 Å²	155.7	100%	1.187	77%	0.772	S	S	*	*				0	85.1	0	-74	175.8	169.7	0	0	108.7
2	Q	26.1	Very low	26.8	Very low	177 Å²	177	155.8 Å²	155.8	83%	0.827	78%	0.778	S	S	*	*			trans	-86.6	118.2	-174.9	-74.8	173	-18.1	0	0	109.9	N4	Q2-N4 PolarHBondContact O-N 3.26Å
3	R	22.7	Very low	26.7	Very low	251 Å²	251	150.2 Å²	150.2	95%	0.947	78%	0.784	S	S	*	*			trans	-84	95.6	171	-64.8	-175.8	-152.1	-173.1	6	108.2
4	N	26.3	Very low	26.7	Very low	131 Å²	131	155.4 Å²	155.4	70%	0.701	79%	0.788	S	S	*	*			trans	-81.3	118.2	174.6	-76.5	-15.8	0	0	0	110.4	Q2	Q2-N4 PolarHBondContact O-N 3.26Å
5	S	26.3	Very low	26.9	Very low	79 Å²	79	151.3 Å²	151.3	55%	0.552	77%	0.768	S	S	*	*			trans	-64.4	136.6	172.5	-179.3	0	0	0	0	110.7	Y7	S5-Y7 VanDerWaalsContact C-N 3.3Å; S5-Y7 PolarHBondContact O-N 3.37Å; S5-Y7 VanDerWaalsContact O-N 3.15Å
6	P	25.8	Very low	27	Very low	84 Å²	84	146.8 Å²	146.8	55%	0.545	75%	0.754	S	S	.	*	S	Bend	trans	-84.7	21.2	-166.1	34.8	-36.6	0	0	0	115.7
7	Y	29.3	Very low	27.5	Very low	158 Å²	158	140.1 Å²	140.1	62%	0.62	72%	0.723	S	S	*	*			trans	-107.6	46.4	-174.5	-58.8	-70.2	0	0	0	113.7	S5	S5-Y7 VanDerWaalsContact C-N 3.3Å; S5-Y7 PolarHBondContact O-N 3.37Å; S5-Y7 VanDerWaalsContact O-N 3.15Å
8	L	24.9	Very low	28.2	Very low	148 Å²	148	136.2 Å²	136.2	78%	0.775	70%	0.701	S	S	*	*			trans	-102.1	19.8	-176.4	-90	157.9	0	0	0	114.7
9	W	26.7	Very low	29.1	Very low	206 Å²	206	129 Å²	129	78%	0.78	66%	0.664	S	S	*	*			trans	-114.6	22.7	-177	56.8	-89.3	0	0	0	115.4	D11	W9-D11 PolarHBondContact O-N 3.44Å
10	A	29.5	Very low	29.7	Very low	99 Å²	99	123.3 Å²	123.3	82%	0.818	64%	0.636	S	S	*	*			trans	-77.1	13.5	166.7	0	0	0	0	0	113.5	N12	A10-N12 VanDerWaalsContact C-N 3.34Å; A10-N12 PolarHBondContact O-N 3.36Å
11	D	26.5	Very low	30.5	Very low	139 Å²	139	117.5 Å²	117.5	74%	0.743	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	20.6	-161	-147.8	20.9	0	0	0	115.5	W9	W9-D11 PolarHBondContact O-N 3.44Å
12	N	24.9	Very low	30.9	Very low	157 Å²	157	107.5 Å²	107.5	84%	0.84	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.7	54.1	172.9	-94.4	-32.7	0	0	0	115.5	A10 R14	A10-N12 VanDerWaalsContact C-N 3.34Å; A10-N12 PolarHBondContact O-N 3.36Å; N12-R14 VanDerWaalsContact C-N 3.34Å; N12-R14 PolarHBondContact O-N 3.35Å
13	G	25.4	Very low	31.6	Very low	83 Å²	83	107.3 Å²	107.3	86%	0.856	55%	0.55	S	S	*	.	S	Bend	trans	61.2	16.8	144.2	0	0	0	0	0	120.6
14	R	26.1	Very low	32.6	Very low	222 Å²	222	100.3 Å²	100.3	84%	0.838	53%	0.528	S	S	*	.			trans	-129.6	107.9	176.3	-73.2	-179.5	175.8	154	-0.1	110.9	N12 S16	N12-R14 VanDerWaalsContact C-N 3.34Å; N12-R14 PolarHBondContact O-N 3.35Å; R14-S16 PolarHBondContact O-N 3.28Å
15	I	30.4	Very low	33.6	Very low	95 Å²	95	94.2 Å²	94.2	49%	0.487	50%	0.495	S	S	.	.			trans	-72.9	74.4	164.6	-58.5	176.2	0	0	0	106.8	S17 R62	I15-S17 PolarHBondContact O-N 3.24Å; I15-R62 HydrophobicContact CD1-CG 3.89Å
16	S	28.4	Very low	34.8	Very low	78 Å²	78	90.6 Å²	90.6	55%	0.545	47%	0.47	S	S	.	.			trans	-91.5	78.8	-179.8	162	0	0	0	0	109.9	R14	R14-S16 PolarHBondContact O-N 3.28Å
17	S	35.7	Very low	36.1	Very low	33 Å²	33	90.7 Å²	90.7	23%	0.231	47%	0.466	C	S	.	.			trans	-173.4	125.7	151.8	45.2	0	0	0	0	110.8	I15 L19	I15-S17 PolarHBondContact O-N 3.24Å; S17-L19 PolarHBondContact O-N 3.34Å
18	E	40.2	Very low	37.4	Very low	70 Å²	70	83.8 Å²	83.8	33%	0.327	44%	0.439	S	S	.	.			trans	-63.3	128.3	175.8	-63.6	178	144.3	0	0	109.6	V20	E18-V20 HydrophobicContact CB-CG2 4.41Å; E18-V20 PolarHBondContact O-N 3.32Å
19	L	44.4	Very low	38.9	Very low	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	96.1	167.7	-100	81.9	0	0	0	108.1	S17 S44 Y45 Y46 M61 M153 F155	S17-L19 PolarHBondContact O-N 3.34Å; L19-S44 WeakPolarHBondContact O-CA 3.27Å; L19-Y45 PolarHBondContact O-N 3.36Å; L19-Y46 HydrophobicContact CB-CD2 4.36Å; L19-Y46 HydrophobicContact CB-CE2 4.17Å; L19-Y46 HydrophobicContact CD1-CD2 4.44Å; L19-Y46 HydrophobicContact CD1-CE2 3.47Å; L19-Y46 VanDerWaalsContact CD1-CE2 3.47Å; L19-Y46 HydrophobicContact CG-CE2 4.31Å; L19-M61 HydrophobicContact CD1-CG 4.31Å; L19-M61 HydrophobicContact CD2-CG 4.09Å; L19-M61 HydrophobicContact CD2-SD 4.26Å; L19-M153 HydrophobicContact CD2-CE 3.7Å; L19-M153 HydrophobicContact CD2-SD 3.86Å; L19-F155 HydrophobicContact CB-CE1 4.45Å; L19-F155 HydrophobicContact CD1-CD1 4.5Å; L19-F155 HydrophobicContact CD1-CE1 3.5Å; L19-F155 VanDerWaalsContact CD1-CE1 3.5Å; L19-F155 HydrophobicContact CD1-CZ 4.18Å; L19-F155 HydrophobicContact CD2-CE1 4.37Å; L19-F155 HydrophobicContact CD2-CZ 4.3Å; L19-F155 HydrophobicContact CG-CE1 3.44Å; L19-F155 VanDerWaalsContact CG-CE1 3.44Å; L19-F155 HydrophobicContact CG-CZ 3.81Å
20	V	42	Very low	40.4	Very low	15 Å²	15	71.4 Å²	71.4	9%	0.091	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.8	176.3	-179.3	0	0	0	0	109.2	E18 T22 H154 L161	E18-V20 HydrophobicContact CB-CG2 4.41Å; E18-V20 PolarHBondContact O-N 3.32Å; V20-T22 PolarHBondContact O-N 3Å; V20-H154 PolarHBondContact O-N 3.28Å; V20-H154 VanDerWaalsContact O-O 3.09Å; V20-L161 HydrophobicContact CG2-CD1 4.28Å
21	M	46	Very low	41.9	Very low	2 Å²	2	72.9 Å²	72.9	1%	0.01	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	132.7	173.1	-73.5	-177.6	-78.7	0	0	110.9	T25 M26 L29 F40 Y45 L48 M153	M21-T25 WeakPolarHBondContact CB-OG1 3.33Å; M21-T25 HydrophobicContact CG-CG2 4.17Å; M21-T25 HydrophobicContact SD-CG2 3.6Å; M21-T25 VanDerWaalsContact SD-CG2 3.6Å; M21-M26 VanDerWaalsContact O-CE 3.28Å; M21-M26 WeakPolarHBondContact O-CE 3.26Å; M21-L29 HydrophobicContact CE-CD1 4.09Å; M21-L29 HydrophobicContact SD-CD1 3.88Å; M21-F40 HydrophobicContact CE-CD1 3.92Å; M21-Y45 HydrophobicContact CE-CD2 4.43Å; M21-Y45 HydrophobicContact CG-CD2 3.58Å; M21-Y45 HydrophobicContact CG-CE2 4.47Å; M21-Y45 HydrophobicContact CG-CG 4.4Å; M21-Y45 HydrophobicContact SD-CD2 3.45Å; M21-Y45 WeakPolarHBondContact SD-CD2 3.31Å; M21-Y45 HydrophobicContact SD-CE2 4Å; M21-Y45 HydrophobicContact SD-CG 4.46Å; M21-L48 HydrophobicContact CE-CD1 3.49Å; M21-L48 VanDerWaalsContact CE-CD1 3.49Å; M21-L48 HydrophobicContact CE-CG 4.29Å; M21-L48 HydrophobicContact SD-CD1 3.98Å; M21-M153 HydrophobicContact CG-SD 4.3Å
22	T	41	Very low	43.3	Very low	31 Å²	31	68.7 Å²	68.7	19%	0.19	36%	0.357	C	S	.	.			trans	-111.7	166.6	168.9	73	0	0	0	0	110.9	V20 H24 T25 S152 H154	V20-T22 PolarHBondContact O-N 3Å; T22-H24 PolarHBondContact O-N 3.15Å; T22-T25 PolarHBondContact O-N 3.08Å; T22-T25 VanDerWaalsContact O-N 3.11Å; T22-T25 PolarHBondContact O-OG1 3.18Å; T22-S152 PolarHBondContact N-O 3.3Å; T22-S152 PolarHBondContact OG1-O 2.88Å; T22-H154 HydrophobicContact CG2-CB 3.51Å; T22-H154 WeakPolarHBondContact CG2-CD2 3.21Å; T22-H154 VanDerWaalsContact CG2-CG 3.43Å; T22-H154 PolarHBondContact OG1-CD2 2.89Å; T22-H154 PolarHBondContact OG1-NE2 3.32Å
23	R	40.4	Very low	44.8	Very low	173 Å²	173	61.3 Å²	61.3	65%	0.653	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-29.9	-38.1	-158.8	-168	179	-81.1	-146.5	-0.3	117.4	T25 M26	R23-T25 PolarHBondContact O-N 3.35Å; R23-M26 VanDerWaalsContact O-CB 3.28Å; R23-M26 WeakPolarHBondContact O-CB 3.39Å; R23-M26 WeakPolarHBondContact O-CG 3.42Å; R23-M26 PolarHBondContact O-N 3.3Å
24	H	44.2	Very low	46.2	Very low	103 Å²	103	59.7 Å²	59.7	48%	0.477	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-75.6	-20	-173.4	-59.6	-69.9	0	0	0	115.7	T22	T22-H24 PolarHBondContact O-N 3.15Å
25	T	47.3	Very low	47.6	Very low	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-73.8	-21	169.1	-13.8	0	0	0	0	112.3	M21 T22 R23 D27 Y45 C151	M21-T25 WeakPolarHBondContact CB-OG1 3.33Å; M21-T25 HydrophobicContact CG-CG2 4.17Å; M21-T25 HydrophobicContact SD-CG2 3.6Å; M21-T25 VanDerWaalsContact SD-CG2 3.6Å; T22-T25 PolarHBondContact O-N 3.08Å; T22-T25 VanDerWaalsContact O-N 3.11Å; T22-T25 PolarHBondContact O-OG1 3.18Å; R23-T25 PolarHBondContact O-N 3.35Å; T25-D27 VanDerWaalsContact C-N 3.35Å; T25-D27 PolarHBondContact O-N 2.98Å; T25-Y45 HydrophobicContact CG2-CD2 4.43Å; T25-Y45 HydrophobicContact CG2-CE2 3.93Å; T25-C151 VanDerWaalsContact CB-SG 3.54Å; T25-C151 HydrophobicContact CG2-CB 4.17Å; T25-C151 VanDerWaalsContact CG2-SG 3.57Å; T25-C151 PolarHBondContact OG1-SG 2.85Å
26	M	52.2	Low	48.9	Very low	4 Å²	4	48.9 Å²	48.9	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-75.1	-29.8	-161.9	-54	179.7	-178.7	0	0	111.4	M21 R23 I28 L29 E30 V37 R41	M21-M26 VanDerWaalsContact O-CE 3.28Å; M21-M26 WeakPolarHBondContact O-CE 3.26Å; R23-M26 VanDerWaalsContact O-CB 3.28Å; R23-M26 WeakPolarHBondContact O-CB 3.39Å; R23-M26 WeakPolarHBondContact O-CG 3.42Å; R23-M26 PolarHBondContact O-N 3.3Å; M26-I28 PolarHBondContact O-N 3.45Å; M26-L29 PolarHBondContact O-N 3.04Å; M26-E30 WeakPolarHBondContact O-CB 3.45Å; M26-E30 PolarHBondContact O-N 3.5Å; M26-V37 HydrophobicContact CB-CB 4.06Å; M26-V37 HydrophobicContact CB-CG1 3.5Å; M26-V37 HydrophobicContact CB-CG2 3.69Å; M26-V37 HydrophobicContact CG-CG1 4.06Å; M26-V37 WeakPolarHBondContact O-CG2 3.24Å; M26-V37 HydrophobicContact SD-CG1 3.58Å; M26-V37 VanDerWaalsContact SD-CG1 3.58Å; M26-R41 HydrophobicContact CE-CB 4.5Å; M26-R41 HydrophobicContact CE-CG 3.61Å; M26-R41 HydrophobicContact SD-CG 4.03Å
27	D	53.7	Low	50	Low	86 Å²	86	46.2 Å²	46.2	46%	0.46	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-40.4	-179.7	-53.7	-11.2	0	0	0	111.7	T25 L29 E30 D31	T25-D27 VanDerWaalsContact C-N 3.35Å; T25-D27 PolarHBondContact O-N 2.98Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 PolarHBondContact O-N 3.32Å; D27-E30 PolarHBondContact O-N 3.28Å; D27-D31 WeakPolarHBondContact O-CB 3.28Å; D27-D31 PolarHBondContact O-N 3.14Å
28	I	55.6	Low	50.9	Low	12 Å²	12	52.7 Å²	52.7	6%	0.062	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-43.1	176.3	-59.5	173.2	0	0	0	110.3	M26 L32 L85 H110 M112 R149	M26-I28 PolarHBondContact O-N 3.45Å; I28-L32 HydrophobicContact CG2-CD1 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.29Å; I28-L32 PolarHBondContact O-N 3.46Å; I28-L32 VanDerWaalsContact O-N 3.08Å; I28-L85 HydrophobicContact CG2-CD2 3.7Å; I28-H110 HydrophobicContact CD1-CB 4.22Å; I28-M112 HydrophobicContact CG2-SD 3.94Å; I28-R149 HydrophobicContact CD1-CB 3.79Å; I28-R149 HydrophobicContact CD1-CG 4.46Å; I28-R149 HydrophobicContact CG1-CB 4.19Å; I28-R149 HydrophobicContact CG1-CG 4.42Å
29	L	56	Low	51.6	Low	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-69.8	-37.7	-178.2	-60.7	179.8	0	0	0	110.7	M21 M26 D27 L33 G34 Y35 F40 L48 L77	M21-L29 HydrophobicContact CE-CD1 4.09Å; M21-L29 HydrophobicContact SD-CD1 3.88Å; M26-L29 PolarHBondContact O-N 3.04Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 PolarHBondContact O-N 3.32Å; L29-L33 HydrophobicContact CD2-CB 4.42Å; L29-L33 HydrophobicContact CD2-CD1 3.24Å; L29-L33 HydrophobicContact CD2-CG 4.03Å; L29-L33 CarbonylContact O-C 3.53Å; L29-L33 VanDerWaalsContact O-C 3.24Å; L29-L33 VanDerWaalsContact O-CA 3.23Å; L29-L33 WeakPolarHBondContact O-CA 3.5Å; L29-L33 WeakPolarHBondContact O-CB 3.39Å; L29-L33 PolarHBondContact O-N 3.38Å; L29-G34 PolarHBondContact O-N 3.21Å; L29-Y35 HydrophobicContact CB-CD2 4.01Å; L29-Y35 HydrophobicContact CB-CG 4.49Å; L29-Y35 HydrophobicContact CD2-CD2 4.26Å; L29-Y35 WeakPolarHBondContact O-CB 3.3Å; L29-Y35 PolarHBondContact O-N 3.33Å; L29-F40 HydrophobicContact CD1-CD1 3.57Å; L29-F40 HydrophobicContact CD1-CE1 4.01Å; L29-F40 HydrophobicContact CD1-CG 3.99Å; L29-L48 HydrophobicContact CD1-CD1 3.62Å; L29-L48 HydrophobicContact CD2-CD1 3.79Å; L29-L48 HydrophobicContact CG-CD1 4.4Å; L29-L77 HydrophobicContact CD2-CD1 4.45Å
30	E	59.1	Low	52	Low	92 Å²	92	56.2 Å²	56.2	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-56.5	177.2	-162.5	162.1	-144.7	0	0	111.8	M26 D27 G34 Y35 V37	M26-E30 WeakPolarHBondContact O-CB 3.45Å; M26-E30 PolarHBondContact O-N 3.5Å; D27-E30 PolarHBondContact O-N 3.28Å; E30-G34 WeakPolarHBondContact O-CA 3.39Å; E30-G34 PolarHBondContact O-N 2.8Å; E30-Y35 WeakPolarHBondContact CA-O 3.37Å; E30-Y35 WeakPolarHBondContact CB-O 3.19Å; E30-V37 HydrophobicContact CB-CG2 3.57Å; E30-V37 HydrophobicContact CG-CG2 3.91Å; E30-V37 WeakPolarHBondContact OE2-CG2 3.46Å
31	D	60.3	Low	52.3	Low	131 Å²	131	63.1 Å²	63.1	70%	0.701	30%	0.303	S	S	*	.	H	α-helix	trans	-70.9	-44.5	-170.3	-70.7	-14.4	0	0	0	112.1	D27	D27-D31 WeakPolarHBondContact O-CB 3.28Å; D27-D31 PolarHBondContact O-N 3.14Å
32	L	55.3	Low	52.4	Low	50 Å²	50	64.7 Å²	64.7	26%	0.262	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-39.5	-174.5	-65.9	166.7	0	0	0	111.9	I28 L85 M112 Y115	I28-L32 HydrophobicContact CG2-CD1 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.29Å; I28-L32 PolarHBondContact O-N 3.46Å; I28-L32 VanDerWaalsContact O-N 3.08Å; L32-L85 HydrophobicContact CD1-CD1 4.4Å; L32-M112 HydrophobicContact CD1-CE 3.9Å; L32-M112 HydrophobicContact CD1-SD 3.3Å; L32-M112 WeakPolarHBondContact CD1-SD 3.12Å; L32-Y115 HydrophobicContact CB-CD2 4.23Å; L32-Y115 HydrophobicContact CB-CE2 4.12Å; L32-Y115 HydrophobicContact CD2-CD1 4.43Å; L32-Y115 HydrophobicContact CD2-CG 4.37Å; L32-Y115 WeakPolarHBondContact O-CE2 3.44Å; L32-Y115 PolarHBondContact O-OH 3.2Å
33	L	57.5	Low	53	Low	2 Å²	2	66.7 Å²	66.7	1%	0.01	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.2	-170.4	-55.7	-162.8	0	0	0	112.7	L29 Y35 L77 T79 Q81 L85 Y115	L29-L33 HydrophobicContact CD2-CB 4.42Å; L29-L33 HydrophobicContact CD2-CD1 3.24Å; L29-L33 HydrophobicContact CD2-CG 4.03Å; L29-L33 CarbonylContact O-C 3.53Å; L29-L33 VanDerWaalsContact O-C 3.24Å; L29-L33 VanDerWaalsContact O-CA 3.23Å; L29-L33 WeakPolarHBondContact O-CA 3.5Å; L29-L33 WeakPolarHBondContact O-CB 3.39Å; L29-L33 PolarHBondContact O-N 3.38Å; L33-Y35 VanDerWaalsContact C-N 3.26Å; L33-Y35 HydrophobicContact CB-CD2 3.37Å; L33-Y35 HydrophobicContact CB-CE2 3.84Å; L33-Y35 HydrophobicContact CB-CG 4.33Å; L33-Y35 HydrophobicContact CD1-CD2 4.31Å; L33-Y35 HydrophobicContact CD1-CE2 4.21Å; L33-Y35 HydrophobicContact CG-CD2 4.42Å; L33-Y35 PolarHBondContact O-N 2.93Å; L33-L77 HydrophobicContact CD1-CB 4.4Å; L33-T79 HydrophobicContact CB-CG2 3.18Å; L33-T79 HydrophobicContact CD1-CG2 3.55Å; L33-T79 HydrophobicContact CD2-CG2 3.28Å; L33-T79 HydrophobicContact CG-CG2 3.41Å; L33-T79 VanDerWaalsContact CG-CG2 3.41Å; L33-Q81 PolarHBondContact O-OE1 2.86Å; L33-L85 HydrophobicContact CD2-CB 3.93Å; L33-L85 HydrophobicContact CD2-CD2 4.25Å; L33-Y115 HydrophobicContact CD2-CD2 4.09Å; L33-Y115 HydrophobicContact CD2-CE2 3.75Å
34	G	55.1	Low	54	Low	50 Å²	50	59.8 Å²	59.8	52%	0.515	31%	0.306	S	S	.	.			trans	68.1	28.6	178.1	0	0	0	0	0	112.6	L29 E30 Q81	L29-G34 PolarHBondContact O-N 3.21Å; E30-G34 WeakPolarHBondContact O-CA 3.39Å; E30-G34 PolarHBondContact O-N 2.8Å; G34-Q81 PolarHBondContact O-NE2 3.22Å; G34-Q81 VanDerWaalsContact O-NE2 3.11Å
35	Y	55.6	Low	55	Low	28 Å²	28	54.9 Å²	54.9	11%	0.11	28%	0.284	C	S	.	.			trans	-100.2	121.4	-175	-82.1	-51.9	0	0	0	112.1	L29 E30 L33 V37 F40 L48 M78 T79 R80	L29-Y35 HydrophobicContact CB-CD2 4.01Å; L29-Y35 HydrophobicContact CB-CG 4.49Å; L29-Y35 HydrophobicContact CD2-CD2 4.26Å; L29-Y35 WeakPolarHBondContact O-CB 3.3Å; L29-Y35 PolarHBondContact O-N 3.33Å; E30-Y35 WeakPolarHBondContact CA-O 3.37Å; E30-Y35 WeakPolarHBondContact CB-O 3.19Å; L33-Y35 VanDerWaalsContact C-N 3.26Å; L33-Y35 HydrophobicContact CB-CD2 3.37Å; L33-Y35 HydrophobicContact CB-CE2 3.84Å; L33-Y35 HydrophobicContact CB-CG 4.33Å; L33-Y35 HydrophobicContact CD1-CD2 4.31Å; L33-Y35 HydrophobicContact CD1-CE2 4.21Å; L33-Y35 HydrophobicContact CG-CD2 4.42Å; L33-Y35 PolarHBondContact O-N 2.93Å; Y35-V37 PolarHBondContact O-N 3.16Å; Y35-F40 HydrophobicContact CD1-CD2 4.38Å; Y35-F40 HydrophobicContact CD1-CE1 4.41Å; Y35-F40 AromaticContact CD1-CE2 3.14Å; Y35-F40 HydrophobicContact CD1-CE2 3.14Å; Y35-F40 AromaticContact CD1-CZ 3.15Å; Y35-F40 HydrophobicContact CD1-CZ 3.15Å; Y35-F40 HydrophobicContact CD2-CE1 4.3Å; Y35-F40 AromaticContact CD2-CE2 3.98Å; Y35-F40 HydrophobicContact CD2-CE2 3.98Å; Y35-F40 AromaticContact CD2-CZ 3.64Å; Y35-F40 HydrophobicContact CD2-CZ 3.64Å; Y35-F40 HydrophobicContact CE1-CE1 4.41Å; Y35-F40 AromaticContact CE1-CE2 3.79Å; Y35-F40 HydrophobicContact CE1-CE2 3.79Å; Y35-F40 AromaticContact CE1-CZ 3.29Å; Y35-F40 HydrophobicContact CE1-CZ 3.29Å; Y35-F40 HydrophobicContact CE2-CE1 4.35Å; Y35-F40 AromaticContact CE2-CZ 3.81Å; Y35-F40 HydrophobicContact CE2-CZ 3.81Å; Y35-F40 HydrophobicContact CG-CD2 4.15Å; Y35-F40 HydrophobicContact CG-CE1 4.3Å; Y35-F40 AromaticContact CG-CE2 3.2Å; Y35-F40 HydrophobicContact CG-CE2 3.2Å; Y35-F40 AromaticContact CG-CZ 3.29Å; Y35-F40 HydrophobicContact CG-CZ 3.29Å; Y35-F40 AromaticContact CZ-CZ 3.58Å; Y35-L48 HydrophobicContact CE2-CD2 4.05Å; Y35-M78 PolarHBondContact OH-O 3.46Å; Y35-T79 HydrophobicContact CE2-CG2 4.11Å; Y35-T79 WeakPolarHBondContact OH-CA 3.25Å; Y35-R80 HydrophobicContact CD1-CB 4.43Å; Y35-R80 HydrophobicContact CE1-CB 3.43Å; Y35-R80 VanDerWaalsContact CE1-CB 3.43Å; Y35-R80 PolarHBondContact OH-N 3.04Å
36	D	56.8	Low	55.8	Low	62 Å²	62	57.1 Å²	57.1	33%	0.332	29%	0.292	S	S	.	.			trans	-62.4	110.5	172.5	175.1	0.5	0	0	0	110.4	K38 K39 F40	D36-K38 PolarHBondContact O-N 2.95Å; D36-K38 VanDerWaalsContact OD1-CB 3.31Å; D36-K38 WeakPolarHBondContact OD1-CB 3.45Å; D36-K38 PolarHBondContact OD1-N 2.82Å; D36-K39 HydrophobicContact CB-CD 4.05Å; D36-K39 HydrophobicContact CB-CG 4.12Å; D36-K39 WeakPolarHBondContact O-CA 3.21Å; D36-K39 WeakPolarHBondContact O-CB 3.26Å; D36-K39 PolarHBondContact O-N 2.99Å; D36-K39 WeakPolarHBondContact OD2-CE 3.29Å; D36-K39 IonicContact OD2-NZ 2.73Å; D36-F40 WeakPolarHBondContact O-CD2 3.05Å
37	V	51.3	Low	56.5	Low	21 Å²	21	60.1 Å²	60.1	13%	0.127	32%	0.324	C	S	.	.	H	α-helix	trans	-47.7	-32.9	-179.3	167.3	0	0	0	0	112.9	M26 E30 Y35 K39 F40	M26-V37 HydrophobicContact CB-CB 4.06Å; M26-V37 HydrophobicContact CB-CG1 3.5Å; M26-V37 HydrophobicContact CB-CG2 3.69Å; M26-V37 HydrophobicContact CG-CG1 4.06Å; M26-V37 WeakPolarHBondContact O-CG2 3.24Å; M26-V37 HydrophobicContact SD-CG1 3.58Å; M26-V37 VanDerWaalsContact SD-CG1 3.58Å; E30-V37 HydrophobicContact CB-CG2 3.57Å; E30-V37 HydrophobicContact CG-CG2 3.91Å; E30-V37 WeakPolarHBondContact OE2-CG2 3.46Å; Y35-V37 PolarHBondContact O-N 3.16Å; V37-K39 PolarHBondContact O-N 3.4Å; V37-F40 PolarHBondContact O-N 2.94Å
38	K	55.9	Low	57.3	Low	169 Å²	169	56.4 Å²	56.4	74%	0.735	30%	0.304	S	S	*	.	H	α-helix	trans	-67.9	-26	-179.9	-60.9	177.3	-176.8	172.3	0	112.1	D36	D36-K38 PolarHBondContact O-N 2.95Å; D36-K38 VanDerWaalsContact OD1-CB 3.31Å; D36-K38 WeakPolarHBondContact OD1-CB 3.45Å; D36-K38 PolarHBondContact OD1-N 2.82Å
39	K	54.8	Low	58	Low	136 Å²	136	56 Å²	56	59%	0.591	30%	0.302	S	S	*	.	H	α-helix	trans	-84	-14.4	178.1	-60.3	-178.7	-174.8	165.6	0	113.1	D36 V37	D36-K39 HydrophobicContact CB-CD 4.05Å; D36-K39 HydrophobicContact CB-CG 4.12Å; D36-K39 WeakPolarHBondContact O-CA 3.21Å; D36-K39 WeakPolarHBondContact O-CB 3.26Å; D36-K39 PolarHBondContact O-N 2.99Å; D36-K39 WeakPolarHBondContact OD2-CE 3.29Å; D36-K39 IonicContact OD2-NZ 2.73Å; V37-K39 PolarHBondContact O-N 3.4Å
40	F	52	Low	58.8	Low	8 Å²	8	57.7 Å²	57.7	4%	0.035	31%	0.31	C	S	.	.	H	α-helix	trans	-91	-15.9	-175.9	-85	-85.2	0	0	0	115.3	M21 L29 Y35 D36 V37 G42 L43 L48	M21-F40 HydrophobicContact CE-CD1 3.92Å; L29-F40 HydrophobicContact CD1-CD1 3.57Å; L29-F40 HydrophobicContact CD1-CE1 4.01Å; L29-F40 HydrophobicContact CD1-CG 3.99Å; Y35-F40 HydrophobicContact CD1-CD2 4.38Å; Y35-F40 HydrophobicContact CD1-CE1 4.41Å; Y35-F40 AromaticContact CD1-CE2 3.14Å; Y35-F40 HydrophobicContact CD1-CE2 3.14Å; Y35-F40 AromaticContact CD1-CZ 3.15Å; Y35-F40 HydrophobicContact CD1-CZ 3.15Å; Y35-F40 HydrophobicContact CD2-CE1 4.3Å; Y35-F40 AromaticContact CD2-CE2 3.98Å; Y35-F40 HydrophobicContact CD2-CE2 3.98Å; Y35-F40 AromaticContact CD2-CZ 3.64Å; Y35-F40 HydrophobicContact CD2-CZ 3.64Å; Y35-F40 HydrophobicContact CE1-CE1 4.41Å; Y35-F40 AromaticContact CE1-CE2 3.79Å; Y35-F40 HydrophobicContact CE1-CE2 3.79Å; Y35-F40 AromaticContact CE1-CZ 3.29Å; Y35-F40 HydrophobicContact CE1-CZ 3.29Å; Y35-F40 HydrophobicContact CE2-CE1 4.35Å; Y35-F40 AromaticContact CE2-CZ 3.81Å; Y35-F40 HydrophobicContact CE2-CZ 3.81Å; Y35-F40 HydrophobicContact CG-CD2 4.15Å; Y35-F40 HydrophobicContact CG-CE1 4.3Å; Y35-F40 AromaticContact CG-CE2 3.2Å; Y35-F40 HydrophobicContact CG-CE2 3.2Å; Y35-F40 AromaticContact CG-CZ 3.29Å; Y35-F40 HydrophobicContact CG-CZ 3.29Å; Y35-F40 AromaticContact CZ-CZ 3.58Å; D36-F40 WeakPolarHBondContact O-CD2 3.05Å; V37-F40 PolarHBondContact O-N 2.94Å; F40-G42 PolarHBondContact O-N 3.43Å; F40-G42 VanDerWaalsContact O-N 3.09Å; F40-L43 HydrophobicContact CD1-CB 4.31Å; F40-L43 HydrophobicContact CD1-CD1 3.64Å; F40-L43 HydrophobicContact CD1-CG 4.49Å; F40-L43 HydrophobicContact CE1-CD1 3.46Å; F40-L43 VanDerWaalsContact CE1-CD1 3.46Å; F40-L43 HydrophobicContact CE2-CD1 4.39Å; F40-L43 HydrophobicContact CG-CD1 4.2Å; F40-L43 HydrophobicContact CZ-CD1 3.84Å; F40-L43 PolarHBondContact O-N 2.69Å; F40-L43 VanDerWaalsContact O-N 3.11Å; F40-L48 HydrophobicContact CD1-CD1 4.48Å; F40-L48 HydrophobicContact CE1-CD1 4.16Å; F40-L48 HydrophobicContact CE1-CD2 3.92Å; F40-L48 HydrophobicContact CE1-CG 4.42Å
41	R	48.1	Very low	59.3	Low	161 Å²	161	57.6 Å²	57.6	61%	0.608	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	116.4	172.7	-66.7	-172.5	-156.6	174.3	9.9	109.5	M26	M26-R41 HydrophobicContact CE-CB 4.5Å; M26-R41 HydrophobicContact CE-CG 3.61Å; M26-R41 HydrophobicContact SD-CG 4.03Å
42	G	47.8	Very low	59.8	Low	35 Å²	35	55.9 Å²	55.9	36%	0.361	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	2.5	-179.7	0	0	0	0	0	115	F40	F40-G42 PolarHBondContact O-N 3.43Å; F40-G42 VanDerWaalsContact O-N 3.09Å
43	L	54.7	Low	60.8	Low	72 Å²	72	53.6 Å²	53.6	38%	0.377	29%	0.294	S	S	.	.			trans	-81.9	134.2	167.9	-67.2	-178.7	0	0	0	110	F40 Y45	F40-L43 HydrophobicContact CD1-CB 4.31Å; F40-L43 HydrophobicContact CD1-CD1 3.64Å; F40-L43 HydrophobicContact CD1-CG 4.49Å; F40-L43 HydrophobicContact CE1-CD1 3.46Å; F40-L43 VanDerWaalsContact CE1-CD1 3.46Å; F40-L43 HydrophobicContact CE2-CD1 4.39Å; F40-L43 HydrophobicContact CG-CD1 4.2Å; F40-L43 HydrophobicContact CZ-CD1 3.84Å; F40-L43 PolarHBondContact O-N 2.69Å; F40-L43 VanDerWaalsContact O-N 3.11Å; L43-Y45 PolarHBondContact O-N 3.29Å
44	S	60.2	Low	61.5	Low	28 Å²	28	54.9 Å²	54.9	20%	0.196	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-65.6	130.1	173.3	178.1	0	0	0	0	109.8	L19 Y46 G47	L19-S44 WeakPolarHBondContact O-CA 3.27Å; S44-Y46 PolarHBondContact O-N 3.05Å; S44-Y46 WeakPolarHBondContact OG-CD2 3.37Å; S44-Y46 PolarHBondContact OG-N 3.33Å; S44-G47 PolarHBondContact O-N 2.87Å
45	Y	65.4	Low	62.2	Low	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.1	174.3	-166.6	-89.7	0	0	0	111.8	L19 M21 T25 L43 G47 L48 V49 F57 Y75 L77 H110 M153	L19-Y45 PolarHBondContact O-N 3.36Å; M21-Y45 HydrophobicContact CE-CD2 4.43Å; M21-Y45 HydrophobicContact CG-CD2 3.58Å; M21-Y45 HydrophobicContact CG-CE2 4.47Å; M21-Y45 HydrophobicContact CG-CG 4.4Å; M21-Y45 HydrophobicContact SD-CD2 3.45Å; M21-Y45 WeakPolarHBondContact SD-CD2 3.31Å; M21-Y45 HydrophobicContact SD-CE2 4Å; M21-Y45 HydrophobicContact SD-CG 4.46Å; T25-Y45 HydrophobicContact CG2-CD2 4.43Å; T25-Y45 HydrophobicContact CG2-CE2 3.93Å; L43-Y45 PolarHBondContact O-N 3.29Å; Y45-G47 PolarHBondContact O-N 3.29Å; Y45-L48 PolarHBondContact O-N 3.33Å; Y45-V49 HydrophobicContact CD1-CG2 3.99Å; Y45-V49 HydrophobicContact CE1-CG2 3.94Å; Y45-F57 AromaticContact CD1-CE1 3.92Å; Y45-F57 HydrophobicContact CD1-CE1 3.92Å; Y45-F57 HydrophobicContact CD1-CE2 4.05Å; Y45-F57 AromaticContact CD1-CZ 3.31Å; Y45-F57 HydrophobicContact CD1-CZ 3.31Å; Y45-F57 HydrophobicContact CE1-CE1 4.34Å; Y45-F57 AromaticContact CE1-CE2 3.64Å; Y45-F57 HydrophobicContact CE1-CE2 3.64Å; Y45-F57 AromaticContact CE1-CZ 3.41Å; Y45-F57 HydrophobicContact CE1-CZ 3.41Å; Y45-F57 VanDerWaalsContact CE1-CZ 3.41Å; Y45-Y75 HydrophobicContact CE1-CE2 4Å; Y45-Y75 PolarHBondContact OH-OH 3.28Å; Y45-L77 HydrophobicContact CE1-CD2 4.04Å; Y45-L77 HydrophobicContact CE2-CD1 4.48Å; Y45-H110 AromaticContact CE2-CE1 3.99Å; Y45-H110 AromaticContact CZ-CE1 3.81Å; Y45-H110 PolarHBondContact OH-CE1 3.4Å; Y45-M153 HydrophobicContact CD2-CE 4.47Å; Y45-M153 HydrophobicContact CD2-SD 3.6Å; Y45-M153 HydrophobicContact CE2-SD 4.24Å; Y45-M153 HydrophobicContact CG-SD 3.85Å
46	Y	64.8	Low	63.1	Low	51 Å²	51	61 Å²	61	20%	0.2	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-57.7	-31.1	174.6	-66.2	-78.9	0	0	0	112.5	L19 S44 L48 V49 M54 F57	L19-Y46 HydrophobicContact CB-CD2 4.36Å; L19-Y46 HydrophobicContact CB-CE2 4.17Å; L19-Y46 HydrophobicContact CD1-CD2 4.44Å; L19-Y46 HydrophobicContact CD1-CE2 3.47Å; L19-Y46 VanDerWaalsContact CD1-CE2 3.47Å; L19-Y46 HydrophobicContact CG-CE2 4.31Å; S44-Y46 PolarHBondContact O-N 3.05Å; S44-Y46 WeakPolarHBondContact OG-CD2 3.37Å; S44-Y46 PolarHBondContact OG-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.42Å; Y46-V49 PolarHBondContact O-N 3.35Å; Y46-M54 HydrophobicContact CD1-SD 3.69Å; Y46-M54 VanDerWaalsContact O-CE 3.27Å; Y46-M54 WeakPolarHBondContact O-CE 3.28Å; Y46-F57 AromaticContact CD1-CD1 3.91Å; Y46-F57 HydrophobicContact CD1-CD1 3.91Å; Y46-F57 AromaticContact CD1-CE1 3.83Å; Y46-F57 HydrophobicContact CD1-CE1 3.83Å; Y46-F57 AromaticContact CE1-CD1 3.77Å; Y46-F57 HydrophobicContact CE1-CD1 3.77Å; Y46-F57 AromaticContact CE1-CE1 3.67Å; Y46-F57 HydrophobicContact CE1-CE1 3.67Å
47	G	66.8	Low	64	Low	67 Å²	67	58.1 Å²	58.1	69%	0.691	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-68.4	-11.7	177.7	0	0	0	0	0	114.6	S44 Y45	S44-G47 PolarHBondContact O-N 2.87Å; Y45-G47 PolarHBondContact O-N 3.29Å
48	L	70	Confident	64.8	Low	7 Å²	7	58.1 Å²	58.1	4%	0.037	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-99.1	-20.4	176.6	-67.2	-178.2	0	0	0	113.4	M21 L29 Y35 F40 Y45 Y46 L77 M78	M21-L48 HydrophobicContact CE-CD1 3.49Å; M21-L48 VanDerWaalsContact CE-CD1 3.49Å; M21-L48 HydrophobicContact CE-CG 4.29Å; M21-L48 HydrophobicContact SD-CD1 3.98Å; L29-L48 HydrophobicContact CD1-CD1 3.62Å; L29-L48 HydrophobicContact CD2-CD1 3.79Å; L29-L48 HydrophobicContact CG-CD1 4.4Å; Y35-L48 HydrophobicContact CE2-CD2 4.05Å; F40-L48 HydrophobicContact CD1-CD1 4.48Å; F40-L48 HydrophobicContact CE1-CD1 4.16Å; F40-L48 HydrophobicContact CE1-CD2 3.92Å; F40-L48 HydrophobicContact CE1-CG 4.42Å; Y45-L48 PolarHBondContact O-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.42Å; L48-L77 HydrophobicContact CB-CD2 3.84Å; L48-L77 CarbonylContact O-C 3.6Å; L48-L77 VanDerWaalsContact O-CA 3.29Å; L48-L77 WeakPolarHBondContact O-CA 3.37Å; L48-M78 PolarHBondContact O-N 2.82Å
49	V	71.4	Confident	65.6	Low	4 Å²	4	50.8 Å²	50.8	2%	0.024	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-75.2	137.1	-175.5	176.9	0	0	0	0	110	Y45 Y46 D53 M54 F57 Y75 R76 L77	Y45-V49 HydrophobicContact CD1-CG2 3.99Å; Y45-V49 HydrophobicContact CE1-CG2 3.94Å; Y46-V49 PolarHBondContact O-N 3.35Å; V49-D53 HydrophobicContact CG1-CB 4.16Å; V49-M54 HydrophobicContact CB-CE 3.82Å; V49-M54 HydrophobicContact CB-SD 4.49Å; V49-M54 HydrophobicContact CG1-CE 4.11Å; V49-M54 HydrophobicContact CG1-SD 4.49Å; V49-F57 HydrophobicContact CG1-CB 4.1Å; V49-F57 HydrophobicContact CG1-CG 4.19Å; V49-F57 HydrophobicContact CG2-CD1 3.98Å; V49-F57 HydrophobicContact CG2-CD2 4.24Å; V49-F57 HydrophobicContact CG2-CE1 4.05Å; V49-F57 HydrophobicContact CG2-CE2 4.31Å; V49-F57 HydrophobicContact CG2-CG 4.09Å; V49-F57 HydrophobicContact CG2-CZ 4.23Å; V49-Y75 HydrophobicContact CG1-CD2 4.18Å; V49-Y75 HydrophobicContact CG2-CD2 4.18Å; V49-Y75 HydrophobicContact CG2-CE2 4.11Å; V49-R76 WeakPolarHBondContact CA-O 3.46Å; V49-L77 HydrophobicContact CG2-CD2 3.89Å
50	H	71.5	Confident	66.5	Low	37 Å²	37	44.8 Å²	44.8	17%	0.171	25%	0.248	C	C	.	.			trans	-58.7	135.6	176	-170.1	-84	0	0	0	111	E52 D53 M54 R76 M78	H50-E52 VanDerWaalsContact C-N 3.28Å; H50-E52 IonicContact CE1-OE2 3.6Å; H50-E52 PolarHBondContact ND1-N 3.04Å; H50-E52 IonicContact ND1-OE2 3.53Å; H50-E52 PolarHBondContact O-N 3.24Å; H50-D53 PolarHBondContact O-N 3.47Å; H50-M54 PolarHBondContact O-N 3.32Å; H50-R76 HydrophobicContact CB-CB 3.68Å; H50-R76 PolarHBondContact N-O 3.12Å; H50-R76 PolarHBondContact ND1-NH2 3.22Å; H50-M78 HydrophobicContact CB-CG 4.24Å; H50-M78 HydrophobicContact CB-SD 4.29Å; H50-M78 PolarHBondContact CD2-SD 2.84Å
51	P	70.3	Confident	67.3	Low	90 Å²	90	44.5 Å²	44.5	58%	0.584	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-54.1	-39.9	-174.4	-29	34	0	0	0	114.3	D53 M54 M78	P51-D53 PolarHBondContact O-N 3.5Å; P51-M54 WeakPolarHBondContact O-CB 3.2Å; P51-M54 PolarHBondContact O-N 3.39Å; P51-M78 HydrophobicContact CG-CE 4.39Å
52	E	71.6	Confident	68.4	Low	96 Å²	96	43.2 Å²	43.2	45%	0.449	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-63.1	-29.2	177.2	-65.5	178.4	169.9	0	0	113.3	H50 R76	H50-E52 VanDerWaalsContact C-N 3.28Å; H50-E52 IonicContact CE1-OE2 3.6Å; H50-E52 PolarHBondContact ND1-N 3.04Å; H50-E52 IonicContact ND1-OE2 3.53Å; H50-E52 PolarHBondContact O-N 3.24Å; E52-R76 IonicContact OE2-CZ 3.67Å; E52-R76 IonicContact OE2-NH1 3.64Å; E52-R76 PolarHBondContact OE2-NH1 3.22Å; E52-R76 IonicContact OE2-NH2 2.83Å; E52-R76 PolarHBondContact OE2-NH2 3.26Å
53	D	74.8	Confident	69.5	Low	2 Å²	2	46 Å²	46	1%	0.011	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-90.1	-10.3	-176	-54.5	-19.2	0	0	0	111.2	V49 H50 P51 K55 M56 F57 Y75 R76 P126	V49-D53 HydrophobicContact CG1-CB 4.16Å; H50-D53 PolarHBondContact O-N 3.47Å; P51-D53 PolarHBondContact O-N 3.5Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.41Å; D53-M56 PolarHBondContact O-N 2.88Å; D53-M56 VanDerWaalsContact O-N 3.15Å; D53-F57 WeakPolarHBondContact O-CB 3.34Å; D53-F57 PolarHBondContact O-N 3.31Å; D53-Y75 WeakPolarHBondContact OD2-CA 3.23Å; D53-R76 IonicContact OD1-CZ 3.29Å; D53-R76 IonicContact OD1-NE 2.89Å; D53-R76 IonicContact OD1-NH2 2.81Å; D53-R76 PolarHBondContact OD1-NH2 3.3Å; D53-R76 WeakPolarHBondContact OD2-CB 3.49Å; D53-R76 IonicContact OD2-CZ 3.95Å; D53-R76 PolarHBondContact OD2-N 2.84Å; D53-R76 IonicContact OD2-NE 3.06Å; D53-R76 PolarHBondContact OD2-NE 3.17Å; D53-R76 IonicContact OD2-NH2 3.96Å; D53-P126 WeakPolarHBondContact OD1-CD 3.43Å; D53-P126 VanDerWaalsContact OD1-CG 3.23Å; D53-P126 WeakPolarHBondContact OD1-CG 3.48Å
54	M	71.7	Confident	70.2	Confident	29 Å²	29	42.6 Å²	42.6	14%	0.143	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-41.1	-174.2	-166.2	59.3	65.9	0	0	113.2	Y46 V49 H50 P51 M56 F57 S58	Y46-M54 HydrophobicContact CD1-SD 3.69Å; Y46-M54 VanDerWaalsContact O-CE 3.27Å; Y46-M54 WeakPolarHBondContact O-CE 3.28Å; V49-M54 HydrophobicContact CB-CE 3.82Å; V49-M54 HydrophobicContact CB-SD 4.49Å; V49-M54 HydrophobicContact CG1-CE 4.11Å; V49-M54 HydrophobicContact CG1-SD 4.49Å; H50-M54 PolarHBondContact O-N 3.32Å; P51-M54 WeakPolarHBondContact O-CB 3.2Å; P51-M54 PolarHBondContact O-N 3.39Å; M54-M56 PolarHBondContact O-N 3.47Å; M54-F57 PolarHBondContact O-N 3.2Å; M54-S58 WeakPolarHBondContact O-CB 3.24Å; M54-S58 PolarHBondContact O-N 2.73Å; M54-S58 PolarHBondContact O-OG 3.28Å
55	K	70.2	Confident	70.5	Confident	143 Å²	143	45.2 Å²	45.2	62%	0.622	23%	0.233	S	C	*	.	H	α-helix	trans	-64.3	-42.3	179.8	-175.5	176.9	-179.9	178	0	111.5	D53 S58 G59	D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.41Å; K55-S58 PolarHBondContact O-OG 3.08Å; K55-G59 PolarHBondContact O-N 2.89Å
56	M	75.5	Confident	70.7	Confident	63 Å²	63	49.3 Å²	49.3	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-71.1	-47.9	177.4	178.2	-88.6	-72.4	0	0	110.7	D53 M54 S58 G59 S60 G73 Y74	D53-M56 PolarHBondContact O-N 2.88Å; D53-M56 VanDerWaalsContact O-N 3.15Å; M54-M56 PolarHBondContact O-N 3.47Å; M56-S58 PolarHBondContact O-N 2.89Å; M56-G59 WeakPolarHBondContact O-CA 3.4Å; M56-G59 PolarHBondContact O-N 3.5Å; M56-G59 VanDerWaalsContact O-N 3.07Å; M56-S60 PolarHBondContact O-N 3.29Å; M56-S60 PolarHBondContact O-OG 3.21Å; M56-G73 PolarHBondContact SD-N 3.23Å; M56-Y74 WeakPolarHBondContact CE-O 3.29Å
57	F	74.3	Confident	71.3	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-47.3	179.3	-178.2	-97.5	0	0	0	112.3	Y45 Y46 V49 D53 M54 G59 S60 M61 T72 Y75	Y45-F57 AromaticContact CD1-CE1 3.92Å; Y45-F57 HydrophobicContact CD1-CE1 3.92Å; Y45-F57 HydrophobicContact CD1-CE2 4.05Å; Y45-F57 AromaticContact CD1-CZ 3.31Å; Y45-F57 HydrophobicContact CD1-CZ 3.31Å; Y45-F57 HydrophobicContact CE1-CE1 4.34Å; Y45-F57 AromaticContact CE1-CE2 3.64Å; Y45-F57 HydrophobicContact CE1-CE2 3.64Å; Y45-F57 AromaticContact CE1-CZ 3.41Å; Y45-F57 HydrophobicContact CE1-CZ 3.41Å; Y45-F57 VanDerWaalsContact CE1-CZ 3.41Å; Y46-F57 AromaticContact CD1-CD1 3.91Å; Y46-F57 HydrophobicContact CD1-CD1 3.91Å; Y46-F57 AromaticContact CD1-CE1 3.83Å; Y46-F57 HydrophobicContact CD1-CE1 3.83Å; Y46-F57 AromaticContact CE1-CD1 3.77Å; Y46-F57 HydrophobicContact CE1-CD1 3.77Å; Y46-F57 AromaticContact CE1-CE1 3.67Å; Y46-F57 HydrophobicContact CE1-CE1 3.67Å; V49-F57 HydrophobicContact CG1-CB 4.1Å; V49-F57 HydrophobicContact CG1-CG 4.19Å; V49-F57 HydrophobicContact CG2-CD1 3.98Å; V49-F57 HydrophobicContact CG2-CD2 4.24Å; V49-F57 HydrophobicContact CG2-CE1 4.05Å; V49-F57 HydrophobicContact CG2-CE2 4.31Å; V49-F57 HydrophobicContact CG2-CG 4.09Å; V49-F57 HydrophobicContact CG2-CZ 4.23Å; D53-F57 WeakPolarHBondContact O-CB 3.34Å; D53-F57 PolarHBondContact O-N 3.31Å; M54-F57 PolarHBondContact O-N 3.2Å; F57-G59 VanDerWaalsContact C-N 3.27Å; F57-G59 PolarHBondContact O-N 2.85Å; F57-S60 PolarHBondContact O-N 3.09Å; F57-M61 HydrophobicContact CD2-CE 4.14Å; F57-M61 HydrophobicContact CE1-CE 4.17Å; F57-M61 HydrophobicContact CE1-CG 4.45Å; F57-M61 HydrophobicContact CE2-CE 3.59Å; F57-M61 HydrophobicContact CZ-CE 3.59Å; F57-M61 HydrophobicContact CZ-SD 4.46Å; F57-M61 PolarHBondContact O-N 3.2Å; F57-T72 HydrophobicContact CD2-CG2 4.12Å; F57-T72 HydrophobicContact CE2-CG2 4.22Å; F57-Y75 HydrophobicContact CD2-CD1 4.43Å; F57-Y75 HydrophobicContact CD2-CD2 4.09Å; F57-Y75 HydrophobicContact CD2-CE1 4.36Å; F57-Y75 HydrophobicContact CD2-CE2 4Å; F57-Y75 HydrophobicContact CD2-CG 4.29Å; F57-Y75 HydrophobicContact CE2-CE1 4.43Å; F57-Y75 AromaticContact CE2-CE2 3.98Å; F57-Y75 HydrophobicContact CE2-CE2 3.98Å; F57-Y75 AromaticContact CE2-CZ 3.93Å
58	S	69.7	Low	71.7	Confident	22 Å²	22	52.4 Å²	52.4	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-33.1	175.7	63.9	0	0	0	0	112.6	M54 K55 M56 M61 R62	M54-S58 WeakPolarHBondContact O-CB 3.24Å; M54-S58 PolarHBondContact O-N 2.73Å; M54-S58 PolarHBondContact O-OG 3.28Å; K55-S58 PolarHBondContact O-OG 3.08Å; M56-S58 PolarHBondContact O-N 2.89Å; S58-M61 PolarHBondContact O-N 3.17Å; S58-R62 WeakPolarHBondContact O-CG 3.36Å; S58-R62 PolarHBondContact O-N 3.18Å; S58-R62 PolarHBondContact O-NE 3.18Å
59	G	72.5	Confident	72.3	Confident	15 Å²	15	59.3 Å²	59.3	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-46.8	172.1	0	0	0	0	0	112.3	K55 M56 F57 M61 R62 Q63	K55-G59 PolarHBondContact O-N 2.89Å; M56-G59 WeakPolarHBondContact O-CA 3.4Å; M56-G59 PolarHBondContact O-N 3.5Å; M56-G59 VanDerWaalsContact O-N 3.07Å; F57-G59 VanDerWaalsContact C-N 3.27Å; F57-G59 PolarHBondContact O-N 2.85Å; G59-M61 VanDerWaalsContact C-N 3.34Å; G59-M61 PolarHBondContact O-N 2.77Å; G59-R62 PolarHBondContact O-N 3.26Å; G59-Q63 WeakPolarHBondContact O-CG 3.02Å; G59-Q63 PolarHBondContact O-N 3.28Å
60	S	73.2	Confident	72.6	Confident	10 Å²	10	59.7 Å²	59.7	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-37.7	176.1	-62.9	0	0	0	0	112.5	M56 F57 Q63 L64 A70 T72	M56-S60 PolarHBondContact O-N 3.29Å; M56-S60 PolarHBondContact O-OG 3.21Å; F57-S60 PolarHBondContact O-N 3.09Å; S60-Q63 WeakPolarHBondContact O-CB 3.45Å; S60-Q63 PolarHBondContact O-N 3.12Å; S60-L64 PolarHBondContact O-N 3.29Å; S60-A70 VanDerWaalsContact O-CB 3.28Å; S60-A70 WeakPolarHBondContact O-CB 3.33Å; S60-T72 WeakPolarHBondContact OG-CA 3.44Å
61	M	69.5	Low	73	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-39.7	175.2	-115.7	28.7	61.2	0	0	111.8	L19 F57 S58 G59 Q63 L64 Y65 T72	L19-M61 HydrophobicContact CD1-CG 4.31Å; L19-M61 HydrophobicContact CD2-CG 4.09Å; L19-M61 HydrophobicContact CD2-SD 4.26Å; F57-M61 HydrophobicContact CD2-CE 4.14Å; F57-M61 HydrophobicContact CE1-CE 4.17Å; F57-M61 HydrophobicContact CE1-CG 4.45Å; F57-M61 HydrophobicContact CE2-CE 3.59Å; F57-M61 HydrophobicContact CZ-CE 3.59Å; F57-M61 HydrophobicContact CZ-SD 4.46Å; F57-M61 PolarHBondContact O-N 3.2Å; S58-M61 PolarHBondContact O-N 3.17Å; G59-M61 VanDerWaalsContact C-N 3.34Å; G59-M61 PolarHBondContact O-N 2.77Å; M61-Q63 VanDerWaalsContact C-N 3.31Å; M61-Q63 PolarHBondContact O-N 3.03Å; M61-L64 VanDerWaalsContact O-CB 3.31Å; M61-L64 WeakPolarHBondContact O-CB 3.49Å; M61-L64 PolarHBondContact O-N 3.32Å; M61-L64 VanDerWaalsContact O-N 3.16Å; M61-L64 HydrophobicContact SD-CB 4.46Å; M61-L64 HydrophobicContact SD-CD2 3.51Å; M61-L64 VanDerWaalsContact SD-CD2 3.51Å; M61-Y65 WeakPolarHBondContact O-CD2 3.21Å; M61-Y65 PolarHBondContact O-N 2.99Å; M61-Y65 VanDerWaalsContact O-N 3.11Å; M61-T72 HydrophobicContact CE-CG2 3.94Å
62	R	69.9	Low	73.3	Confident	135 Å²	135	57.7 Å²	57.7	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-43	170.2	-80.1	178.4	-80.1	144.5	-8.5	112	I15 S58 G59 L64 Y65 A66	I15-R62 HydrophobicContact CD1-CG 3.89Å; S58-R62 WeakPolarHBondContact O-CG 3.36Å; S58-R62 PolarHBondContact O-N 3.18Å; S58-R62 PolarHBondContact O-NE 3.18Å; G59-R62 PolarHBondContact O-N 3.26Å; R62-L64 VanDerWaalsContact C-N 3.32Å; R62-L64 PolarHBondContact O-N 2.87Å; R62-Y65 PolarHBondContact O-N 2.88Å; R62-A66 WeakPolarHBondContact O-CB 3.45Å; R62-A66 PolarHBondContact O-N 3.1Å
63	Q	70.8	Confident	73.6	Confident	94 Å²	94	54.5 Å²	54.5	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-38	175.1	-70.4	-175.4	43	0	0	112.5	G59 S60 M61 Y65 A66 K67 A70	G59-Q63 WeakPolarHBondContact O-CG 3.02Å; G59-Q63 PolarHBondContact O-N 3.28Å; S60-Q63 WeakPolarHBondContact O-CB 3.45Å; S60-Q63 PolarHBondContact O-N 3.12Å; M61-Q63 VanDerWaalsContact C-N 3.31Å; M61-Q63 PolarHBondContact O-N 3.03Å; Q63-Y65 PolarHBondContact O-N 3.28Å; Q63-A66 PolarHBondContact O-N 2.9Å; Q63-K67 WeakPolarHBondContact O-CB 3.42Å; Q63-K67 PolarHBondContact O-N 3.28Å; Q63-A70 HydrophobicContact CB-CB 4.2Å
64	L	69.2	Low	73.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-45.9	177.6	177.5	61.1	0	0	0	111.6	S60 M61 R62 G68 A70 S91 V93 I106	S60-L64 PolarHBondContact O-N 3.29Å; M61-L64 VanDerWaalsContact O-CB 3.31Å; M61-L64 WeakPolarHBondContact O-CB 3.49Å; M61-L64 PolarHBondContact O-N 3.32Å; M61-L64 VanDerWaalsContact O-N 3.16Å; M61-L64 HydrophobicContact SD-CB 4.46Å; M61-L64 HydrophobicContact SD-CD2 3.51Å; M61-L64 VanDerWaalsContact SD-CD2 3.51Å; R62-L64 VanDerWaalsContact C-N 3.32Å; R62-L64 PolarHBondContact O-N 2.87Å; L64-G68 CarbonylContact O-C 3.59Å; L64-G68 WeakPolarHBondContact O-CA 3.03Å; L64-G68 PolarHBondContact O-N 3.39Å; L64-A70 HydrophobicContact CB-CB 3.73Å; L64-A70 HydrophobicContact CD1-CB 4.36Å; L64-S91 VanDerWaalsContact CD1-C 3.48Å; L64-S91 VanDerWaalsContact CD1-O 3.31Å; L64-S91 WeakPolarHBondContact CD1-O 3.38Å; L64-S91 VanDerWaalsContact CD2-CB 3.43Å; L64-V93 HydrophobicContact CD1-CG2 3.99Å; L64-V93 HydrophobicContact CG-CG2 4.04Å; L64-I106 HydrophobicContact CD2-CB 4.44Å; L64-I106 HydrophobicContact CD2-CD1 3.31Å; L64-I106 HydrophobicContact CD2-CG1 4Å; L64-I106 HydrophobicContact CD2-CG2 3.62Å; L64-I106 HydrophobicContact CG-CD1 3.86Å; L64-I106 HydrophobicContact CG-CG1 4.47Å
65	Y	66.5	Low	74.2	Confident	83 Å²	83	56.1 Å²	56.1	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-36.7	176.4	-67.8	-66.6	0	0	0	112.8	M61 R62 Q63 I106 F155	M61-Y65 WeakPolarHBondContact O-CD2 3.21Å; M61-Y65 PolarHBondContact O-N 2.99Å; M61-Y65 VanDerWaalsContact O-N 3.11Å; R62-Y65 PolarHBondContact O-N 2.88Å; Q63-Y65 PolarHBondContact O-N 3.28Å; Y65-I106 HydrophobicContact CD1-CD1 4.4Å; Y65-I106 HydrophobicContact CE1-CD1 3.82Å; Y65-F155 HydrophobicContact CE1-CD1 4.31Å; Y65-F155 HydrophobicContact CE1-CE1 4.16Å; Y65-F155 HydrophobicContact CE1-CZ 4.37Å; Y65-F155 AromaticContact CZ-CE1 3.74Å; Y65-F155 WeakPolarHBondContact OH-CD1 3.41Å; Y65-F155 WeakPolarHBondContact OH-CE1 3.28Å; Y65-F155 WeakPolarHBondContact OH-CZ 3.49Å
66	A	69.9	Low	74.5	Confident	86 Å²	86	49.5 Å²	49.5	71%	0.711	26%	0.26	S	S	*	.	H	α-helix	trans	-70.7	-39.7	-179.6	0	0	0	0	0	112.9	R62 Q63	R62-A66 WeakPolarHBondContact O-CB 3.45Å; R62-A66 PolarHBondContact O-N 3.1Å; Q63-A66 PolarHBondContact O-N 2.9Å
67	K	79	Confident	74.5	Confident	159 Å²	159	46.7 Å²	46.7	69%	0.691	25%	0.246	S	C	*	.	H	α-helix	trans	-108.4	-11.7	-171.9	-63.3	-178.6	178.5	176.6	0	114	Q63 K69	Q63-K67 WeakPolarHBondContact O-CB 3.42Å; Q63-K67 PolarHBondContact O-N 3.28Å; K67-K69 PolarHBondContact O-N 2.9Å
68	G	73.3	Confident	74.4	Confident	24 Å²	24	49.6 Å²	49.6	25%	0.247	26%	0.261	C	S	.	.	S	Bend	trans	76.9	-5.8	-172.6	0	0	0	0	0	114.5	L64 A92 V93	L64-G68 CarbonylContact O-C 3.59Å; L64-G68 WeakPolarHBondContact O-CA 3.03Å; L64-G68 PolarHBondContact O-N 3.39Å; G68-A92 CarbonylContact O-C 3.53Å; G68-A92 WeakPolarHBondContact O-CA 3.45Å; G68-V93 PolarHBondContact O-N 3.35Å
69	K	84.1	Confident	74.2	Confident	152 Å²	152	49 Å²	49	66%	0.661	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.3	174	-65.4	-175.8	180	179.2	0	110	K67 S91 A92	K67-K69 PolarHBondContact O-N 2.9Å; K69-S91 CarbonylContact C-O 3.24Å; K69-S91 VanDerWaalsContact CA-O 3.26Å; K69-S91 WeakPolarHBondContact CA-O 3.31Å; K69-A92 HydrophobicContact CG-CB 4Å
70	A	76.7	Confident	73.6	Confident	11 Å²	11	55.4 Å²	55.4	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	150.3	171.4	0	0	0	0	0	111.3	S60 Q63 L64 S91	S60-A70 VanDerWaalsContact O-CB 3.28Å; S60-A70 WeakPolarHBondContact O-CB 3.33Å; Q63-A70 HydrophobicContact CB-CB 4.2Å; L64-A70 HydrophobicContact CB-CB 3.73Å; L64-A70 HydrophobicContact CD1-CB 4.36Å; A70-S91 PolarHBondContact N-O 2.62Å; A70-S91 PolarHBondContact O-N 2.93Å
71	T	80.7	Confident	73	Confident	79 Å²	79	58.8 Å²	58.8	49%	0.485	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131	166.7	-53.7	0	0	0	0	107.5	L88 T89 E90	T71-L88 HydrophobicContact CG2-CD1 4.01Å; T71-L88 HydrophobicContact CG2-CD2 4.35Å; T71-L88 HydrophobicContact CG2-CG 4.18Å; T71-T89 WeakPolarHBondContact CA-O 3.34Å; T71-E90 HydrophobicContact CG2-CG 3.88Å
72	T	76.7	Confident	72.6	Confident	6 Å²	6	60 Å²	60	4%	0.037	30%	0.304	C	S	.	.			trans	-71.1	161.6	173.3	67	0	0	0	0	110.2	F57 S60 M61 Y75 L88 T89	F57-T72 HydrophobicContact CD2-CG2 4.12Å; F57-T72 HydrophobicContact CE2-CG2 4.22Å; S60-T72 WeakPolarHBondContact OG-CA 3.44Å; M61-T72 HydrophobicContact CE-CG2 3.94Å; T72-Y75 HydrophobicContact CG2-CE1 4.21Å; T72-Y75 WeakPolarHBondContact OG1-CE1 3.33Å; T72-L88 WeakPolarHBondContact O-CD1 3.4Å; T72-T89 PolarHBondContact N-O 3.11Å; T72-T89 PolarHBondContact OG1-N 3.01Å; T72-T89 PolarHBondContact OG1-O 2.85Å
73	G	78.3	Confident	72.4	Confident	29 Å²	29	53.7 Å²	53.7	30%	0.299	28%	0.28	S	S	.	.			trans	-68.1	-178.4	153.9	0	0	0	0	0	110.5	M56 Y75	M56-G73 PolarHBondContact SD-N 3.23Å; G73-Y75 WeakPolarHBondContact O-CD1 3.48Å; G73-Y75 PolarHBondContact O-N 3.5Å
74	Y	80.8	Confident	72.2	Confident	66 Å²	66	49.7 Å²	49.7	26%	0.259	26%	0.262	S	S	.	.	S	Bend	trans	-68.3	129.4	168.7	-56.7	-50.3	0	0	0	110.4	M56 L87 L88 L113 M129 F130	M56-Y74 WeakPolarHBondContact CE-O 3.29Å; Y74-L87 WeakPolarHBondContact CA-O 3.48Å; Y74-L88 HydrophobicContact CD1-CB 3.99Å; Y74-L88 HydrophobicContact CD1-CD1 3.89Å; Y74-L88 HydrophobicContact CE1-CB 4.05Å; Y74-L88 HydrophobicContact CE1-CD1 3.93Å; Y74-L88 HydrophobicContact CE1-CD2 4.42Å; Y74-L88 HydrophobicContact CE1-CG 4.37Å; Y74-L113 HydrophobicContact CD1-CD1 3.09Å; Y74-L113 HydrophobicContact CD1-CG 4.49Å; Y74-L113 HydrophobicContact CE1-CD1 3.3Å; Y74-L113 HydrophobicContact CE1-CD2 4.25Å; Y74-L113 HydrophobicContact CE1-CG 4.39Å; Y74-L113 HydrophobicContact CG-CD1 3.94Å; Y74-M129 HydrophobicContact CD1-CE 4.35Å; Y74-M129 HydrophobicContact CD2-CE 3.49Å; Y74-M129 VanDerWaalsContact CD2-CE 3.49Å; Y74-M129 HydrophobicContact CE2-CE 4.27Å; Y74-M129 HydrophobicContact CG-CE 3.53Å; Y74-F130 AromaticContact CD2-CE1 3.65Å; Y74-F130 HydrophobicContact CD2-CE1 3.65Å; Y74-F130 AromaticContact CD2-CE2 3.99Å; Y74-F130 HydrophobicContact CD2-CE2 3.99Å; Y74-F130 AromaticContact CD2-CZ 3.31Å; Y74-F130 HydrophobicContact CD2-CZ 3.31Å; Y74-F130 HydrophobicContact CE2-CD1 4.37Å; Y74-F130 AromaticContact CE2-CE1 3.47Å; Y74-F130 HydrophobicContact CE2-CE1 3.47Å; Y74-F130 VanDerWaalsContact CE2-CE1 3.47Å; Y74-F130 AromaticContact CE2-CZ 3.62Å; Y74-F130 HydrophobicContact CE2-CZ 3.62Å; Y74-F130 HydrophobicContact CG-CZ 4.4Å
75	Y	77.2	Confident	72.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	163.8	178.7	69.7	-75.2	0	0	0	110.9	Y45 V49 D53 F57 T72 G73 L77 W86 L87 T89	Y45-Y75 HydrophobicContact CE1-CE2 4Å; Y45-Y75 PolarHBondContact OH-OH 3.28Å; V49-Y75 HydrophobicContact CG1-CD2 4.18Å; V49-Y75 HydrophobicContact CG2-CD2 4.18Å; V49-Y75 HydrophobicContact CG2-CE2 4.11Å; D53-Y75 WeakPolarHBondContact OD2-CA 3.23Å; F57-Y75 HydrophobicContact CD2-CD1 4.43Å; F57-Y75 HydrophobicContact CD2-CD2 4.09Å; F57-Y75 HydrophobicContact CD2-CE1 4.36Å; F57-Y75 HydrophobicContact CD2-CE2 4Å; F57-Y75 HydrophobicContact CD2-CG 4.29Å; F57-Y75 HydrophobicContact CE2-CE1 4.43Å; F57-Y75 AromaticContact CE2-CE2 3.98Å; F57-Y75 HydrophobicContact CE2-CE2 3.98Å; F57-Y75 AromaticContact CE2-CZ 3.93Å; T72-Y75 HydrophobicContact CG2-CE1 4.21Å; T72-Y75 WeakPolarHBondContact OG1-CE1 3.33Å; G73-Y75 WeakPolarHBondContact O-CD1 3.48Å; G73-Y75 PolarHBondContact O-N 3.5Å; Y75-L77 HydrophobicContact CD2-CD2 4.25Å; Y75-L77 HydrophobicContact CE2-CD2 3.65Å; Y75-L77 HydrophobicContact CE2-CG 4.11Å; Y75-W86 WeakPolarHBondContact O-CA 3.29Å; Y75-L87 HydrophobicContact CD1-CB 4.41Å; Y75-L87 VanDerWaalsContact CD1-O 3.29Å; Y75-L87 WeakPolarHBondContact CD1-O 3.4Å; Y75-L87 HydrophobicContact CE1-CB 3.89Å; Y75-L87 HydrophobicContact CE2-CB 4.49Å; Y75-L87 PolarHBondContact N-O 3.15Å; Y75-L87 PolarHBondContact O-N 3.22Å; Y75-T89 VanDerWaalsContact CE1-OG1 3.31Å; Y75-T89 WeakPolarHBondContact CE1-OG1 3.48Å; Y75-T89 PolarHBondContact OH-OG1 2.9Å
76	R	76.5	Confident	72.9	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.5	-178.2	-69.3	165.2	-73.6	-177.1	0.6	111	V49 H50 E52 D53 V84 L85 W86 L124	V49-R76 WeakPolarHBondContact CA-O 3.46Å; H50-R76 HydrophobicContact CB-CB 3.68Å; H50-R76 PolarHBondContact N-O 3.12Å; H50-R76 PolarHBondContact ND1-NH2 3.22Å; E52-R76 IonicContact OE2-CZ 3.67Å; E52-R76 IonicContact OE2-NH1 3.64Å; E52-R76 PolarHBondContact OE2-NH1 3.22Å; E52-R76 IonicContact OE2-NH2 2.83Å; E52-R76 PolarHBondContact OE2-NH2 3.26Å; D53-R76 IonicContact OD1-CZ 3.29Å; D53-R76 IonicContact OD1-NE 2.89Å; D53-R76 IonicContact OD1-NH2 2.81Å; D53-R76 PolarHBondContact OD1-NH2 3.3Å; D53-R76 WeakPolarHBondContact OD2-CB 3.49Å; D53-R76 IonicContact OD2-CZ 3.95Å; D53-R76 PolarHBondContact OD2-N 2.84Å; D53-R76 IonicContact OD2-NE 3.06Å; D53-R76 PolarHBondContact OD2-NE 3.17Å; D53-R76 IonicContact OD2-NH2 3.96Å; R76-V84 HydrophobicContact CB-CG1 3.79Å; R76-V84 HydrophobicContact CG-CG1 3.62Å; R76-L85 CarbonylContact C-O 3.52Å; R76-L85 VanDerWaalsContact CA-O 3.32Å; R76-L85 WeakPolarHBondContact CA-O 3.46Å; R76-W86 HydrophobicContact CG-CD2 3.52Å; R76-W86 VanDerWaalsContact CG-CE2 3.44Å; R76-W86 HydrophobicContact CG-CE3 3.7Å; R76-W86 HydrophobicContact CG-CG 4.17Å; R76-W86 HydrophobicContact CG-CH2 3.8Å; R76-W86 HydrophobicContact CG-CZ2 3.62Å; R76-W86 HydrophobicContact CG-CZ3 3.84Å; R76-L124 PolarHBondContact NH1-O 3.5Å
77	L	75.6	Confident	73.2	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136	158.2	-64.8	-171.8	0	0	0	110	L29 L33 Y45 L48 V49 Y75 V84 L85 L87	L29-L77 HydrophobicContact CD2-CD1 4.45Å; L33-L77 HydrophobicContact CD1-CB 4.4Å; Y45-L77 HydrophobicContact CE1-CD2 4.04Å; Y45-L77 HydrophobicContact CE2-CD1 4.48Å; L48-L77 HydrophobicContact CB-CD2 3.84Å; L48-L77 CarbonylContact O-C 3.6Å; L48-L77 VanDerWaalsContact O-CA 3.29Å; L48-L77 WeakPolarHBondContact O-CA 3.37Å; V49-L77 HydrophobicContact CG2-CD2 3.89Å; Y75-L77 HydrophobicContact CD2-CD2 4.25Å; Y75-L77 HydrophobicContact CE2-CD2 3.65Å; Y75-L77 HydrophobicContact CE2-CG 4.11Å; L77-V84 WeakPolarHBondContact O-CA 3.32Å; L77-L85 HydrophobicContact CB-CB 4.41Å; L77-L85 PolarHBondContact N-O 3.43Å; L77-L85 PolarHBondContact O-N 3.15Å; L77-L87 HydrophobicContact CD1-CD1 3.36Å; L77-L87 HydrophobicContact CG-CD1 3.61Å; L77-L87 HydrophobicContact CG-CG 4.49Å
78	M	71.5	Confident	73.2	Confident	62 Å²	62	36 Å²	36	31%	0.305	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.7	177.6	-61.6	-171.6	-57.6	0	0	111.1	Y35 L48 H50 P51 S83	Y35-M78 PolarHBondContact OH-O 3.46Å; L48-M78 PolarHBondContact O-N 2.82Å; H50-M78 HydrophobicContact CB-CG 4.24Å; H50-M78 HydrophobicContact CB-SD 4.29Å; H50-M78 PolarHBondContact CD2-SD 2.84Å; P51-M78 HydrophobicContact CG-CE 4.39Å; M78-S83 WeakPolarHBondContact CA-O 3.03Å
79	T	66.4	Low	73.4	Confident	11 Å²	11	34.9 Å²	34.9	7%	0.067	18%	0.178	C	C	.	.			trans	-98.5	163.7	173.8	85	0	0	0	0	112.1	L33 Y35 Q81 G82 S83	L33-T79 HydrophobicContact CB-CG2 3.18Å; L33-T79 HydrophobicContact CD1-CG2 3.55Å; L33-T79 HydrophobicContact CD2-CG2 3.28Å; L33-T79 HydrophobicContact CG-CG2 3.41Å; L33-T79 VanDerWaalsContact CG-CG2 3.41Å; Y35-T79 HydrophobicContact CE2-CG2 4.11Å; Y35-T79 WeakPolarHBondContact OH-CA 3.25Å; T79-Q81 PolarHBondContact O-N 3.16Å; T79-Q81 PolarHBondContact OG1-N 3.4Å; T79-Q81 VanDerWaalsContact OG1-N 3.12Å; T79-Q81 PolarHBondContact OG1-OE1 3.38Å; T79-G82 PolarHBondContact O-N 2.83Å; T79-G82 PolarHBondContact OG1-N 3.43Å; T79-S83 WeakPolarHBondContact CG2-O 3.36Å; T79-S83 PolarHBondContact N-O 2.99Å; T79-S83 WeakPolarHBondContact OG1-CB 3.42Å; T79-S83 PolarHBondContact OG1-N 3.28Å
80	R	60.9	Low	73.1	Confident	148 Å²	148	30.9 Å²	30.9	56%	0.558	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.2	174.1	176.7	-172.8	176.5	159.9	6	110.4	Y35 G82 Y177	Y35-R80 HydrophobicContact CD1-CB 4.43Å; Y35-R80 HydrophobicContact CE1-CB 3.43Å; Y35-R80 VanDerWaalsContact CE1-CB 3.43Å; Y35-R80 PolarHBondContact OH-N 3.04Å; R80-G82 VanDerWaalsContact C-N 3.27Å; R80-Y177 WeakPolarHBondContact CD-OH 3.13Å; R80-Y177 VanDerWaalsContact CZ-CE2 3.46Å; R80-Y177 VanDerWaalsContact CZ-CZ 3.47Å; R80-Y177 PolarHBondContact NE-OH 3.24Å; R80-Y177 PolarHBondContact NH1-OH 3.04Å; R80-Y177 VanDerWaalsContact NH1-OH 3.08Å; R80-Y177 PolarHBondContact NH2-OH 3.09Å
81	Q	59	Low	72.9	Confident	81 Å²	81	30.6 Å²	30.6	38%	0.379	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.6	177.2	-59.2	80.6	-2.4	0	0	112.5	L33 G34 T79 S83	L33-Q81 PolarHBondContact O-OE1 2.86Å; G34-Q81 PolarHBondContact O-NE2 3.22Å; G34-Q81 VanDerWaalsContact O-NE2 3.11Å; T79-Q81 PolarHBondContact O-N 3.16Å; T79-Q81 PolarHBondContact OG1-N 3.4Å; T79-Q81 VanDerWaalsContact OG1-N 3.12Å; T79-Q81 PolarHBondContact OG1-OE1 3.38Å; Q81-S83 VanDerWaalsContact C-N 3.35Å
82	G	61.5	Low	72.6	Confident	27 Å²	27	27.9 Å²	27.9	28%	0.278	15%	0.145	S	C	.	.	S	Bend	trans	78.9	14.7	-179.8	0	0	0	0	0	114.1	T79 R80 M119	T79-G82 PolarHBondContact O-N 2.83Å; T79-G82 PolarHBondContact OG1-N 3.43Å; R80-G82 VanDerWaalsContact C-N 3.27Å; G82-M119 PolarHBondContact O-N 2.98Å
83	S	65	Low	72.2	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.014	15%	0.153	C	C	.	.			trans	-75.2	152.7	169.1	-54.4	0	0	0	0	109.8	M78 T79 Q81 K116 K117 N118	M78-S83 WeakPolarHBondContact CA-O 3.03Å; T79-S83 WeakPolarHBondContact CG2-O 3.36Å; T79-S83 PolarHBondContact N-O 2.99Å; T79-S83 WeakPolarHBondContact OG1-CB 3.42Å; T79-S83 PolarHBondContact OG1-N 3.28Å; Q81-S83 VanDerWaalsContact C-N 3.35Å; S83-K116 WeakPolarHBondContact CA-O 3.31Å; S83-K116 WeakPolarHBondContact CB-O 3.43Å; S83-K117 WeakPolarHBondContact OG-CA 3.42Å; S83-N118 PolarHBondContact OG-N 3.47Å; S83-N118 VanDerWaalsContact OG-N 3.1Å
84	V	67.6	Low	71.7	Confident	11 Å²	11	31.2 Å²	31.2	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.7	179	175.6	0	0	0	0	109.5	R76 L77 K116 M119	R76-V84 HydrophobicContact CB-CG1 3.79Å; R76-V84 HydrophobicContact CG-CG1 3.62Å; L77-V84 WeakPolarHBondContact O-CA 3.32Å; V84-K116 PolarHBondContact N-O 3Å; V84-K116 PolarHBondContact O-N 3.48Å; V84-M119 HydrophobicContact CB-CE 3.76Å; V84-M119 HydrophobicContact CG1-CE 4.13Å; V84-M119 HydrophobicContact CG2-CB 4.5Å; V84-M119 HydrophobicContact CG2-CE 3.69Å
85	L	73.9	Confident	71	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.1	178	-179.9	69.4	0	0	0	109.7	I28 L32 L33 R76 L77 L87 M112 M114 Y115	I28-L85 HydrophobicContact CG2-CD2 3.7Å; L32-L85 HydrophobicContact CD1-CD1 4.4Å; L33-L85 HydrophobicContact CD2-CB 3.93Å; L33-L85 HydrophobicContact CD2-CD2 4.25Å; R76-L85 CarbonylContact C-O 3.52Å; R76-L85 VanDerWaalsContact CA-O 3.32Å; R76-L85 WeakPolarHBondContact CA-O 3.46Å; L77-L85 HydrophobicContact CB-CB 4.41Å; L77-L85 PolarHBondContact N-O 3.43Å; L77-L85 PolarHBondContact O-N 3.15Å; L85-L87 HydrophobicContact CD1-CD2 4.34Å; L85-L87 HydrophobicContact CD2-CD1 4.16Å; L85-L87 HydrophobicContact CD2-CD2 3.7Å; L85-L87 HydrophobicContact CD2-CG 4.08Å; L85-L87 HydrophobicContact CG-CD2 3.7Å; L85-L87 HydrophobicContact CG-CG 3.97Å; L85-M112 HydrophobicContact CD1-CB 4.49Å; L85-M112 HydrophobicContact CD1-CG 4.41Å; L85-M112 HydrophobicContact CD1-SD 4.12Å; L85-M112 HydrophobicContact CD2-SD 4.21Å; L85-M114 CarbonylContact C-O 3.56Å; L85-Y115 HydrophobicContact CB-CD2 4.49Å; L85-Y115 HydrophobicContact CD1-CD2 4.11Å; L85-Y115 HydrophobicContact CD1-CG 4.45Å
86	W	77.2	Confident	70.2	Confident	7 Å²	7	35.1 Å²	35.1	3%	0.027	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.2	173.6	-74.4	93.2	0	0	0	110.8	Y75 R76 L113 M114 L124 P126 M129	Y75-W86 WeakPolarHBondContact O-CA 3.29Å; R76-W86 HydrophobicContact CG-CD2 3.52Å; R76-W86 VanDerWaalsContact CG-CE2 3.44Å; R76-W86 HydrophobicContact CG-CE3 3.7Å; R76-W86 HydrophobicContact CG-CG 4.17Å; R76-W86 HydrophobicContact CG-CH2 3.8Å; R76-W86 HydrophobicContact CG-CZ2 3.62Å; R76-W86 HydrophobicContact CG-CZ3 3.84Å; W86-L113 HydrophobicContact CB-CB 4.19Å; W86-L113 PolarHBondContact O-N 3.26Å; W86-M114 HydrophobicContact CB-CB 4.06Å; W86-M114 HydrophobicContact CG-CB 4.29Å; W86-M114 PolarHBondContact N-O 2.65Å; W86-L124 WeakPolarHBondContact CH2-O 3.28Å; W86-L124 HydrophobicContact CZ2-CB 4.4Å; W86-L124 VanDerWaalsContact CZ2-O 3.24Å; W86-L124 WeakPolarHBondContact CZ2-O 3.47Å; W86-P126 HydrophobicContact CH2-CG 4.3Å; W86-P126 HydrophobicContact CZ3-CB 4.43Å; W86-P126 HydrophobicContact CZ3-CG 4.21Å; W86-M129 HydrophobicContact CD2-CE 4.28Å; W86-M129 HydrophobicContact CD2-SD 3.58Å; W86-M129 VanDerWaalsContact CD2-SD 3.58Å; W86-M129 HydrophobicContact CE3-CE 3.74Å; W86-M129 HydrophobicContact CE3-SD 3.61Å; W86-M129 HydrophobicContact CG-SD 4.08Å; W86-M129 HydrophobicContact CH2-CB 4.4Å; W86-M129 HydrophobicContact CH2-SD 4.19Å; W86-M129 HydrophobicContact CZ2-SD 4.16Å; W86-M129 HydrophobicContact CZ3-CE 3.99Å; W86-M129 HydrophobicContact CZ3-SD 3.93Å
87	L	75.8	Confident	69.9	Low	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148	-175.9	-61.7	-177.2	0	0	0	111.5	Y74 Y75 L77 L85 H110 R111 M112	Y74-L87 WeakPolarHBondContact CA-O 3.48Å; Y75-L87 HydrophobicContact CD1-CB 4.41Å; Y75-L87 VanDerWaalsContact CD1-O 3.29Å; Y75-L87 WeakPolarHBondContact CD1-O 3.4Å; Y75-L87 HydrophobicContact CE1-CB 3.89Å; Y75-L87 HydrophobicContact CE2-CB 4.49Å; Y75-L87 PolarHBondContact N-O 3.15Å; Y75-L87 PolarHBondContact O-N 3.22Å; L77-L87 HydrophobicContact CD1-CD1 3.36Å; L77-L87 HydrophobicContact CG-CD1 3.61Å; L77-L87 HydrophobicContact CG-CG 4.49Å; L85-L87 HydrophobicContact CD1-CD2 4.34Å; L85-L87 HydrophobicContact CD2-CD1 4.16Å; L85-L87 HydrophobicContact CD2-CD2 3.7Å; L85-L87 HydrophobicContact CD2-CG 4.08Å; L85-L87 HydrophobicContact CG-CD2 3.7Å; L85-L87 HydrophobicContact CG-CG 3.97Å; L87-H110 HydrophobicContact CD1-CB 4.49Å; L87-H110 HydrophobicContact CD2-CB 4.44Å; L87-R111 WeakPolarHBondContact CA-O 3.46Å; L87-M112 HydrophobicContact CD2-CB 4.13Å; L87-M112 HydrophobicContact CD2-CG 3.53Å
88	L	78.6	Confident	69.1	Low	31 Å²	31	42.4 Å²	42.4	16%	0.162	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.3	153.9	-176	75.2	0	0	0	107.5	T71 T72 Y74 H110 R111 L113	T71-L88 HydrophobicContact CG2-CD1 4.01Å; T71-L88 HydrophobicContact CG2-CD2 4.35Å; T71-L88 HydrophobicContact CG2-CG 4.18Å; T72-L88 WeakPolarHBondContact O-CD1 3.4Å; Y74-L88 HydrophobicContact CD1-CB 3.99Å; Y74-L88 HydrophobicContact CD1-CD1 3.89Å; Y74-L88 HydrophobicContact CE1-CB 4.05Å; Y74-L88 HydrophobicContact CE1-CD1 3.93Å; Y74-L88 HydrophobicContact CE1-CD2 4.42Å; Y74-L88 HydrophobicContact CE1-CG 4.37Å; L88-H110 WeakPolarHBondContact O-CA 3.23Å; L88-R111 HydrophobicContact CB-CB 4.33Å; L88-R111 PolarHBondContact N-O 2.92Å; L88-R111 PolarHBondContact O-N 3.5Å; L88-L113 HydrophobicContact CB-CD1 4.44Å
89	T	76.5	Confident	68.7	Low	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.2	178.7	-58.5	0	0	0	0	111.8	T71 T72 Y75 C108 L109 H110	T71-T89 WeakPolarHBondContact CA-O 3.34Å; T72-T89 PolarHBondContact N-O 3.11Å; T72-T89 PolarHBondContact OG1-N 3.01Å; T72-T89 PolarHBondContact OG1-O 2.85Å; Y75-T89 VanDerWaalsContact CE1-OG1 3.31Å; Y75-T89 WeakPolarHBondContact CE1-OG1 3.48Å; Y75-T89 PolarHBondContact OH-OG1 2.9Å; T89-C108 HydrophobicContact CG2-CB 3.72Å; T89-L109 WeakPolarHBondContact CA-O 3.2Å; T89-H110 WeakPolarHBondContact CG2-ND1 3.35Å; T89-H110 PolarHBondContact OG1-ND1 3.21Å
90	E	78.4	Confident	68.5	Low	67 Å²	67	53.9 Å²	53.9	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.6	169.8	-68.8	168.7	-159.8	0	0	108.2	T71 C108 L109 R111	T71-E90 HydrophobicContact CG2-CG 3.88Å; E90-C108 CarbonylContact O-C 3.55Å; E90-C108 VanDerWaalsContact O-CA 3.31Å; E90-C108 WeakPolarHBondContact O-CA 3.45Å; E90-L109 HydrophobicContact CB-CB 4.31Å; E90-L109 PolarHBondContact N-O 3.37Å; E90-L109 PolarHBondContact O-N 3.26Å; E90-R111 VanDerWaalsContact CD-NH2 3.3Å; E90-R111 IonicContact OE1-CZ 3.41Å; E90-R111 VanDerWaalsContact OE1-CZ 3.29Å; E90-R111 IonicContact OE1-NE 3.74Å; E90-R111 PolarHBondContact OE1-NE 3.44Å; E90-R111 IonicContact OE1-NH2 3.94Å; E90-R111 PolarHBondContact OE1-NH2 2.96Å; E90-R111 IonicContact OE2-CZ 3.49Å; E90-R111 IonicContact OE2-NH2 3.36Å; E90-R111 PolarHBondContact OE2-NH2 3.41Å
91	S	73	Confident	68.1	Low	6 Å²	6	53.9 Å²	53.9	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142	-173.3	-52	0	0	0	0	110.9	L64 K69 A70 H107 C108	L64-S91 VanDerWaalsContact CD1-C 3.48Å; L64-S91 VanDerWaalsContact CD1-O 3.31Å; L64-S91 WeakPolarHBondContact CD1-O 3.38Å; L64-S91 VanDerWaalsContact CD2-CB 3.43Å; K69-S91 CarbonylContact C-O 3.24Å; K69-S91 VanDerWaalsContact CA-O 3.26Å; K69-S91 WeakPolarHBondContact CA-O 3.31Å; A70-S91 PolarHBondContact N-O 2.62Å; A70-S91 PolarHBondContact O-N 2.93Å; S91-H107 CarbonylContact C-O 3.59Å; S91-H107 VanDerWaalsContact CA-O 3.25Å; S91-H107 WeakPolarHBondContact CA-O 3.45Å; S91-C108 PolarHBondContact OG-SG 3.23Å
92	A	73.5	Confident	68	Low	22 Å²	22	59.5 Å²	59.5	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134	175.6	0	0	0	0	0	110.9	G68 K69 I94 I106 H107	G68-A92 CarbonylContact O-C 3.53Å; G68-A92 WeakPolarHBondContact O-CA 3.45Å; K69-A92 HydrophobicContact CG-CB 4Å; A92-I94 HydrophobicContact CB-CD1 4.34Å; A92-I94 PolarHBondContact O-N 3.43Å; A92-I106 CarbonylContact O-C 3.5Å; A92-I106 WeakPolarHBondContact O-CA 3.48Å; A92-H107 PolarHBondContact N-O 3.19Å; A92-H107 PolarHBondContact O-N 2.82Å
93	V	69.2	Low	67.8	Low	34 Å²	34	60.1 Å²	60.1	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	115.7	171.5	-176.7	0	0	0	0	108.2	L64 G68 R105 I106	L64-V93 HydrophobicContact CD1-CG2 3.99Å; L64-V93 HydrophobicContact CG-CG2 4.04Å; G68-V93 PolarHBondContact O-N 3.35Å; V93-R105 CarbonylContact C-O 3.55Å; V93-R105 WeakPolarHBondContact CA-O 3.44Å; V93-I106 HydrophobicContact CB-CG1 4.42Å; V93-I106 HydrophobicContact CG2-CD1 4.05Å; V93-I106 HydrophobicContact CG2-CG1 3.82Å
94	I	68.3	Low	67.4	Low	71 Å²	71	64.3 Å²	64.3	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.4	173.9	-52.6	-55.1	0	0	0	107.6	A92 Q104 R105 H107	A92-I94 HydrophobicContact CB-CD1 4.34Å; A92-I94 PolarHBondContact O-N 3.43Å; I94-Q104 WeakPolarHBondContact O-CA 3.46Å; I94-R105 PolarHBondContact N-O 2.81Å; I94-R105 PolarHBondContact O-N 2.78Å; I94-H107 HydrophobicContact CG1-CB 4.2Å
95	T	66.5	Low	67	Low	65 Å²	65	67.5 Å²	67.5	40%	0.399	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.1	170.8	-55	0	0	0	0	108.2	S103 Q104	T95-S103 CarbonylContact C-O 3.54Å; T95-S103 WeakPolarHBondContact CA-O 3.33Å; T95-Q104 HydrophobicContact CG2-CG 4.14Å
96	E	60.5	Low	66.6	Low	82 Å²	82	67.5 Å²	67.5	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.3	176.1	-170	175.5	-164.8	0	0	108.7	S103 R105	E96-S103 PolarHBondContact N-O 2.82Å; E96-S103 PolarHBondContact O-N 2.88Å; E96-S103 PolarHBondContact O-OG 3.03Å; E96-S103 VanDerWaalsContact O-OG 3.12Å; E96-R105 IonicContact OE2-CZ 2.99Å; E96-R105 IonicContact OE2-NH1 2.76Å; E96-R105 PolarHBondContact OE2-NH1 3.21Å; E96-R105 IonicContact OE2-NH2 3.59Å; E96-R105 PolarHBondContact OE2-NH2 2.78Å
97	T	68.8	Low	66.1	Low	89 Å²	89	70.9 Å²	70.9	55%	0.546	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.4	174.9	-53.5	0	0	0	0	108.6	Q101 R102	T97-Q101 WeakPolarHBondContact CA-O 3.17Å; T97-R102 HydrophobicContact CG2-CG 4.27Å
98	T	58.5	Low	65.8	Low	72 Å²	72	70.9 Å²	70.9	44%	0.442	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.9	178.8	-43	0	0	0	0	108.6	G100 Q101	T98-G100 VanDerWaalsContact C-N 3.27Å; T98-G100 PolarHBondContact O-N 2.92Å; T98-Q101 PolarHBondContact N-O 2.91Å; T98-Q101 WeakPolarHBondContact O-CB 3.48Å; T98-Q101 PolarHBondContact O-N 2.81Å
99	R	63.3	Low	65.4	Low	247 Å²	247	71.3 Å²	71.3	93%	0.932	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	40.2	-179.4	-60.8	-179.3	178	-177.4	-0.9	113.9	Q101	R99-Q101 PolarHBondContact O-N 2.88Å
100	G	62	Low	65.2	Low	67 Å²	67	71.3 Å²	71.3	69%	0.691	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-7.7	-178.6	0	0	0	0	0	115	T98	T98-G100 VanDerWaalsContact C-N 3.27Å; T98-G100 PolarHBondContact O-N 2.92Å
101	Q	52.4	Low	64.6	Low	148 Å²	148	72.4 Å²	72.4	69%	0.692	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.7	172.6	-66.1	-66.6	-36.7	0	0	109.3	T97 T98 R99	T97-Q101 WeakPolarHBondContact CA-O 3.17Å; T98-Q101 PolarHBondContact N-O 2.91Å; T98-Q101 WeakPolarHBondContact O-CB 3.48Å; T98-Q101 PolarHBondContact O-N 2.81Å; R99-Q101 PolarHBondContact O-N 2.88Å
102	R	57.1	Low	64.5	Low	198 Å²	198	73.1 Å²	73.1	75%	0.747	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.7	171.6	-71.6	-176.7	176	168.8	1	108.5	T97	T97-R102 HydrophobicContact CG2-CG 4.27Å
103	S	56.9	Low	64.2	Low	40 Å²	40	74.5 Å²	74.5	28%	0.28	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141	169.8	69.7	0	0	0	0	109.7	T95 E96	T95-S103 CarbonylContact C-O 3.54Å; T95-S103 WeakPolarHBondContact CA-O 3.33Å; E96-S103 PolarHBondContact N-O 2.82Å; E96-S103 PolarHBondContact O-N 2.88Å; E96-S103 PolarHBondContact O-OG 3.03Å; E96-S103 VanDerWaalsContact O-OG 3.12Å
104	Q	57.6	Low	64	Low	91 Å²	91	74 Å²	74	43%	0.425	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.7	174.2	-70	-176	-23.5	0	0	109.1	I94 T95	I94-Q104 WeakPolarHBondContact O-CA 3.46Å; T95-Q104 HydrophobicContact CG2-CG 4.14Å
105	R	60.1	Low	63.9	Low	78 Å²	78	74.3 Å²	74.3	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.1	173.7	-62.3	-177.6	-171.7	139.4	8.6	108.4	V93 I94 E96 H154	V93-R105 CarbonylContact C-O 3.55Å; V93-R105 WeakPolarHBondContact CA-O 3.44Å; I94-R105 PolarHBondContact N-O 2.81Å; I94-R105 PolarHBondContact O-N 2.78Å; E96-R105 IonicContact OE2-CZ 2.99Å; E96-R105 IonicContact OE2-NH1 2.76Å; E96-R105 PolarHBondContact OE2-NH1 3.21Å; E96-R105 IonicContact OE2-NH2 3.59Å; E96-R105 PolarHBondContact OE2-NH2 2.78Å; R105-H154 VanDerWaalsContact CD-CE1 3.42Å; R105-H154 WeakPolarHBondContact CD-CE1 3.22Å; R105-H154 PolarHBondContact NE-CE1 3.48Å
106	I	63.7	Low	63.8	Low	1 Å²	1	74.5 Å²	74.5	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.3	168	-72.6	171.1	0	0	0	107.8	L64 Y65 A92 V93 C108 M153 F155	L64-I106 HydrophobicContact CD2-CB 4.44Å; L64-I106 HydrophobicContact CD2-CD1 3.31Å; L64-I106 HydrophobicContact CD2-CG1 4Å; L64-I106 HydrophobicContact CD2-CG2 3.62Å; L64-I106 HydrophobicContact CG-CD1 3.86Å; L64-I106 HydrophobicContact CG-CG1 4.47Å; Y65-I106 HydrophobicContact CD1-CD1 4.4Å; Y65-I106 HydrophobicContact CE1-CD1 3.82Å; A92-I106 CarbonylContact O-C 3.5Å; A92-I106 WeakPolarHBondContact O-CA 3.48Å; V93-I106 HydrophobicContact CB-CG1 4.42Å; V93-I106 HydrophobicContact CG2-CD1 4.05Å; V93-I106 HydrophobicContact CG2-CG1 3.82Å; I106-C108 WeakPolarHBondContact CG2-SG 3.49Å; I106-M153 PolarHBondContact N-O 3.16Å; I106-M153 PolarHBondContact O-N 2.93Å; I106-F155 HydrophobicContact CB-CE2 3.44Å; I106-F155 VanDerWaalsContact CB-CE2 3.44Å; I106-F155 HydrophobicContact CB-CZ 3.9Å; I106-F155 HydrophobicContact CD1-CD2 4.11Å; I106-F155 HydrophobicContact CD1-CE1 4.12Å; I106-F155 HydrophobicContact CD1-CE2 3.11Å; I106-F155 HydrophobicContact CD1-CZ 3.09Å; I106-F155 HydrophobicContact CG1-CD2 4.15Å; I106-F155 HydrophobicContact CG1-CE2 3.19Å; I106-F155 HydrophobicContact CG1-CZ 3.71Å
107	H	67	Low	63.9	Low	78 Å²	78	77.5 Å²	77.5	36%	0.361	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131	167.5	-73.3	-158.6	0	0	0	108.1	S91 A92 I94 S152	S91-H107 CarbonylContact C-O 3.59Å; S91-H107 VanDerWaalsContact CA-O 3.25Å; S91-H107 WeakPolarHBondContact CA-O 3.45Å; A92-H107 PolarHBondContact N-O 3.19Å; A92-H107 PolarHBondContact O-N 2.82Å; I94-H107 HydrophobicContact CG1-CB 4.2Å; H107-S152 PolarHBondContact CD2-OG 2.62Å; H107-S152 PolarHBondContact NE2-OG 3.13Å
108	C	69.7	Low	63.2	Low	1 Å²	1	77.5 Å²	77.5	1%	0.007	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.6	179.6	-72.9	0	0	0	0	109.6	T89 E90 S91 I106 C151 M153	T89-C108 HydrophobicContact CG2-CB 3.72Å; E90-C108 CarbonylContact O-C 3.55Å; E90-C108 VanDerWaalsContact O-CA 3.31Å; E90-C108 WeakPolarHBondContact O-CA 3.45Å; S91-C108 PolarHBondContact OG-SG 3.23Å; I106-C108 WeakPolarHBondContact CG2-SG 3.49Å; C108-C151 CarbonylContact C-O 3.52Å; C108-C151 HydrophobicContact CB-CB 4.27Å; C108-C151 PolarHBondContact N-O 2.63Å; C108-C151 CarbonylContact O-C 3.47Å; C108-C151 WeakPolarHBondContact O-CA 3.28Å; C108-C151 WeakPolarHBondContact O-CB 3.46Å; C108-C151 PolarHBondContact O-N 3.43Å; C108-M153 HydrophobicContact CB-CE 3.99Å; C108-M153 WeakPolarHBondContact SG-CE 3.48Å
109	L	69.7	Low	62.8	Low	40 Å²	40	75.5 Å²	75.5	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.2	168.4	177.1	72.7	0	0	0	108	T89 E90 V150	T89-L109 WeakPolarHBondContact CA-O 3.2Å; E90-L109 HydrophobicContact CB-CB 4.31Å; E90-L109 PolarHBondContact N-O 3.37Å; E90-L109 PolarHBondContact O-N 3.26Å; L109-V150 HydrophobicContact CD1-CB 4.39Å; L109-V150 HydrophobicContact CD1-CG2 3.45Å; L109-V150 VanDerWaalsContact CD1-CG2 3.45Å
110	H	72.8	Confident	61.9	Low	1 Å²	1	72.3 Å²	72.3	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.3	174.1	-55.2	-68.9	0	0	0	109	I28 Y45 L87 L88 T89 R149 C151	I28-H110 HydrophobicContact CD1-CB 4.22Å; Y45-H110 AromaticContact CE2-CE1 3.99Å; Y45-H110 AromaticContact CZ-CE1 3.81Å; Y45-H110 PolarHBondContact OH-CE1 3.4Å; L87-H110 HydrophobicContact CD1-CB 4.49Å; L87-H110 HydrophobicContact CD2-CB 4.44Å; L88-H110 WeakPolarHBondContact O-CA 3.23Å; T89-H110 WeakPolarHBondContact CG2-ND1 3.35Å; T89-H110 PolarHBondContact OG1-ND1 3.21Å; H110-R149 PolarHBondContact N-O 3.07Å; H110-R149 PolarHBondContact O-N 2.95Å; H110-C151 WeakPolarHBondContact CD2-CB 2.99Å; H110-C151 WeakPolarHBondContact NE2-CB 3.5Å
111	R	66.3	Low	60.7	Low	89 Å²	89	75.3 Å²	75.3	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.1	167.3	-57.4	-175.6	-164.3	-90.3	1.1	107.6	L87 L88 E90	L87-R111 WeakPolarHBondContact CA-O 3.46Å; L88-R111 HydrophobicContact CB-CB 4.33Å; L88-R111 PolarHBondContact N-O 2.92Å; L88-R111 PolarHBondContact O-N 3.5Å; E90-R111 VanDerWaalsContact CD-NH2 3.3Å; E90-R111 IonicContact OE1-CZ 3.41Å; E90-R111 VanDerWaalsContact OE1-CZ 3.29Å; E90-R111 IonicContact OE1-NE 3.74Å; E90-R111 PolarHBondContact OE1-NE 3.44Å; E90-R111 IonicContact OE1-NH2 3.94Å; E90-R111 PolarHBondContact OE1-NH2 2.96Å; E90-R111 IonicContact OE2-CZ 3.49Å; E90-R111 IonicContact OE2-NH2 3.36Å; E90-R111 PolarHBondContact OE2-NH2 3.41Å
112	M	71.6	Confident	60.2	Low	21 Å²	21	70.7 Å²	70.7	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.7	178.1	-59	-167.7	-75.6	0	0	109.4	I28 L32 L85 L87 P146 T147 R149	I28-M112 HydrophobicContact CG2-SD 3.94Å; L32-M112 HydrophobicContact CD1-CE 3.9Å; L32-M112 HydrophobicContact CD1-SD 3.3Å; L32-M112 WeakPolarHBondContact CD1-SD 3.12Å; L85-M112 HydrophobicContact CD1-CB 4.49Å; L85-M112 HydrophobicContact CD1-CG 4.41Å; L85-M112 HydrophobicContact CD1-SD 4.12Å; L85-M112 HydrophobicContact CD2-SD 4.21Å; L87-M112 HydrophobicContact CD2-CB 4.13Å; L87-M112 HydrophobicContact CD2-CG 3.53Å; M112-P146 WeakPolarHBondContact O-CB 3.27Å; M112-T147 WeakPolarHBondContact CE-O 2.68Å; M112-T147 WeakPolarHBondContact CE-OG1 3.45Å; M112-R149 HydrophobicContact CE-CG 3.96Å
113	L	66.3	Low	59.6	Low	51 Å²	51	65.7 Å²	65.7	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-49	-177.4	-63	161	0	0	0	110.7	Y74 W86 L88 M129	Y74-L113 HydrophobicContact CD1-CD1 3.09Å; Y74-L113 HydrophobicContact CD1-CG 4.49Å; Y74-L113 HydrophobicContact CE1-CD1 3.3Å; Y74-L113 HydrophobicContact CE1-CD2 4.25Å; Y74-L113 HydrophobicContact CE1-CG 4.39Å; Y74-L113 HydrophobicContact CG-CD1 3.94Å; W86-L113 HydrophobicContact CB-CB 4.19Å; W86-L113 PolarHBondContact O-N 3.26Å; L88-L113 HydrophobicContact CB-CD1 4.44Å; L113-M129 HydrophobicContact CD1-CE 4.49Å
114	M	64.6	Low	59.2	Low	25 Å²	25	66 Å²	66	12%	0.123	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.4	-178.1	179.4	-166.6	-65.5	0	0	109.5	L85 W86 T137 F141	L85-M114 CarbonylContact C-O 3.56Å; W86-M114 HydrophobicContact CB-CB 4.06Å; W86-M114 HydrophobicContact CG-CB 4.29Å; W86-M114 PolarHBondContact N-O 2.65Å; M114-T137 HydrophobicContact CE-CG2 3.21Å; M114-F141 HydrophobicContact CE-CD2 4.16Å; M114-F141 HydrophobicContact CE-CE2 4.46Å
115	Y	66.2	Low	59.1	Low	76 Å²	76	63.1 Å²	63.1	30%	0.298	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.2	169.1	169.8	-104.4	0	0	0	109.1	L32 L33 L85 K117	L32-Y115 HydrophobicContact CB-CD2 4.23Å; L32-Y115 HydrophobicContact CB-CE2 4.12Å; L32-Y115 HydrophobicContact CD2-CD1 4.43Å; L32-Y115 HydrophobicContact CD2-CG 4.37Å; L32-Y115 WeakPolarHBondContact O-CE2 3.44Å; L32-Y115 PolarHBondContact O-OH 3.2Å; L33-Y115 HydrophobicContact CD2-CD2 4.09Å; L33-Y115 HydrophobicContact CD2-CE2 3.75Å; L85-Y115 HydrophobicContact CB-CD2 4.49Å; L85-Y115 HydrophobicContact CD1-CD2 4.11Å; L85-Y115 HydrophobicContact CD1-CG 4.45Å; Y115-K117 HydrophobicContact CE1-CB 3.89Å
116	K	64.2	Low	58.8	Low	70 Å²	70	60.5 Å²	60.5	30%	0.304	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116.4	174	-170.4	153.2	163.4	179.7	0	110.3	S83 V84 M119	S83-K116 WeakPolarHBondContact CA-O 3.31Å; S83-K116 WeakPolarHBondContact CB-O 3.43Å; V84-K116 PolarHBondContact N-O 3Å; V84-K116 PolarHBondContact O-N 3.48Å; K116-M119 HydrophobicContact CB-SD 3.99Å; K116-M119 HydrophobicContact CD-CG 4.26Å; K116-M119 HydrophobicContact CD-SD 3.37Å; K116-M119 WeakPolarHBondContact CD-SD 3.42Å; K116-M119 VanDerWaalsContact CE-SD 3.57Å; K116-M119 HydrophobicContact CG-CB 4.22Å; K116-M119 HydrophobicContact CG-CG 4.29Å; K116-M119 HydrophobicContact CG-SD 3.7Å
117	K	62.6	Low	58.2	Low	144 Å²	144	65.6 Å²	65.6	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	137.3	-179.2	-168	170.5	-178.7	175.7	0	110.9	S83 Y115 M119	S83-K117 WeakPolarHBondContact OG-CA 3.42Å; Y115-K117 HydrophobicContact CE1-CB 3.89Å; K117-M119 PolarHBondContact O-N 2.74Å
118	N	55.4	Low	57.5	Low	89 Å²	89	65.9 Å²	65.9	48%	0.476	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	52.6	171.4	-61.8	-9	0	0	0	114	S83 F120	S83-N118 PolarHBondContact OG-N 3.47Å; S83-N118 VanDerWaalsContact OG-N 3.1Å; N118-F120 PolarHBondContact O-N 3.01Å
119	M	50.5	Low	56.4	Low	30 Å²	30	66.9 Å²	66.9	15%	0.148	34%	0.338	C	S	.	.			trans	-89	90.1	-178.7	-162.4	165.1	81.5	0	0	109.8	G82 V84 K116 K117 L121 V122	G82-M119 PolarHBondContact O-N 2.98Å; V84-M119 HydrophobicContact CB-CE 3.76Å; V84-M119 HydrophobicContact CG1-CE 4.13Å; V84-M119 HydrophobicContact CG2-CB 4.5Å; V84-M119 HydrophobicContact CG2-CE 3.69Å; K116-M119 HydrophobicContact CB-SD 3.99Å; K116-M119 HydrophobicContact CD-CG 4.26Å; K116-M119 HydrophobicContact CD-SD 3.37Å; K116-M119 WeakPolarHBondContact CD-SD 3.42Å; K116-M119 VanDerWaalsContact CE-SD 3.57Å; K116-M119 HydrophobicContact CG-CB 4.22Å; K116-M119 HydrophobicContact CG-CG 4.29Å; K116-M119 HydrophobicContact CG-SD 3.7Å; K117-M119 PolarHBondContact O-N 2.74Å; M119-L121 PolarHBondContact O-N 3.31Å; M119-V122 HydrophobicContact CE-CB 3.61Å; M119-V122 HydrophobicContact CE-CG2 4.22Å; M119-V122 HydrophobicContact CG-CB 3.94Å; M119-V122 HydrophobicContact CG-CG2 3.6Å; M119-V122 HydrophobicContact SD-CB 3.37Å; M119-V122 WeakPolarHBondContact SD-CB 3.02Å; M119-V122 HydrophobicContact SD-CG1 4.36Å; M119-V122 HydrophobicContact SD-CG2 3.28Å; M119-V122 WeakPolarHBondContact SD-CG2 3.31Å
120	F	43	Very low	55.3	Low	181 Å²	181	71.2 Å²	71.2	79%	0.794	36%	0.356	S	S	*	.	S	Bend	trans	-67.1	-22.6	173.7	-86.5	-89.7	0	0	0	112.9	N118	N118-F120 PolarHBondContact O-N 3.01Å
121	L	36.8	Very low	54	Low	129 Å²	129	75 Å²	75	68%	0.675	39%	0.387	S	S	*	.			trans	-158.2	99.5	-175.5	-70.6	170.1	0	0	0	110.4	M119	M119-L121 PolarHBondContact O-N 3.31Å
122	V	42	Very low	52.8	Low	51 Å²	51	74.8 Å²	74.8	31%	0.309	39%	0.392	S	S	.	.			trans	-145.6	116.7	150.9	179	0	0	0	0	109	M119 L124	M119-V122 HydrophobicContact CE-CB 3.61Å; M119-V122 HydrophobicContact CE-CG2 4.22Å; M119-V122 HydrophobicContact CG-CB 3.94Å; M119-V122 HydrophobicContact CG-CG2 3.6Å; M119-V122 HydrophobicContact SD-CB 3.37Å; M119-V122 WeakPolarHBondContact SD-CB 3.02Å; M119-V122 HydrophobicContact SD-CG1 4.36Å; M119-V122 HydrophobicContact SD-CG2 3.28Å; M119-V122 WeakPolarHBondContact SD-CG2 3.31Å; V122-L124 HydrophobicContact CG1-CB 4.12Å; V122-L124 HydrophobicContact CG1-CD1 3.79Å; V122-L124 HydrophobicContact CG1-CG 3.58Å; V122-L124 PolarHBondContact O-N 3.45Å
123	S	43.7	Very low	51.3	Low	94 Å²	94	79.7 Å²	79.7	66%	0.657	42%	0.419	S	S	*	.			trans	-79.9	20.5	-174.5	63	0	0	0	0	114.8	S125 Q128	S123-S125 PolarHBondContact O-N 3.45Å; S123-Q128 PolarHBondContact O-OE1 3.46Å
124	L	50.4	Low	50.2	Low	46 Å²	46	84.5 Å²	84.5	24%	0.241	44%	0.435	C	S	.	.			trans	-72.6	95.8	-177.5	-67.4	172.9	0	0	0	109	R76 W86 V122 Q128	R76-L124 PolarHBondContact NH1-O 3.5Å; W86-L124 WeakPolarHBondContact CH2-O 3.28Å; W86-L124 HydrophobicContact CZ2-CB 4.4Å; W86-L124 VanDerWaalsContact CZ2-O 3.24Å; W86-L124 WeakPolarHBondContact CZ2-O 3.47Å; V122-L124 HydrophobicContact CG1-CB 4.12Å; V122-L124 HydrophobicContact CG1-CD1 3.79Å; V122-L124 HydrophobicContact CG1-CG 3.58Å; V122-L124 PolarHBondContact O-N 3.45Å; L124-Q128 HydrophobicContact CB-CB 4.41Å; L124-Q128 HydrophobicContact CD2-CB 3.59Å; L124-Q128 HydrophobicContact CD2-CG 4.5Å
125	S	54.3	Low	49.1	Very low	30 Å²	30	88.4 Å²	88.4	21%	0.21	45%	0.452	C	S	.	.			trans	-60.2	157.2	164.3	63.4	0	0	0	0	109.3	S123 T127 Q128 M129	S123-S125 PolarHBondContact O-N 3.45Å; S125-T127 PolarHBondContact O-N 2.8Å; S125-Q128 PolarHBondContact O-N 3.07Å; S125-Q128 PolarHBondContact OG-N 2.83Å; S125-M129 PolarHBondContact O-N 3.44Å
126	P	54	Low	47.8	Very low	24 Å²	24	87.4 Å²	87.4	16%	0.156	46%	0.46	C	S	.	.	H	α-helix	trans	-49	-36.9	174.1	-28.8	35.3	0	0	0	112.1	D53 W86 Q128 M129 F130	D53-P126 WeakPolarHBondContact OD1-CD 3.43Å; D53-P126 VanDerWaalsContact OD1-CG 3.23Å; D53-P126 WeakPolarHBondContact OD1-CG 3.48Å; W86-P126 HydrophobicContact CH2-CG 4.3Å; W86-P126 HydrophobicContact CZ3-CB 4.43Å; W86-P126 HydrophobicContact CZ3-CG 4.21Å; P126-Q128 VanDerWaalsContact C-N 3.35Å; P126-Q128 PolarHBondContact O-N 3.03Å; P126-M129 PolarHBondContact O-N 3.17Å; P126-M129 VanDerWaalsContact O-N 3.16Å; P126-F130 WeakPolarHBondContact O-CD2 3.44Å; P126-F130 PolarHBondContact O-N 3.33Å; P126-F130 VanDerWaalsContact O-N 3.09Å
127	T	51.6	Low	46.6	Very low	108 Å²	108	84.9 Å²	84.9	66%	0.663	45%	0.451	S	S	*	.	H	α-helix	trans	-58.5	-39.5	175.3	-48.2	0	0	0	0	113.4	S125 F130 A131	S125-T127 PolarHBondContact O-N 2.8Å; T127-F130 PolarHBondContact O-N 3.3Å; T127-A131 PolarHBondContact O-N 3.18Å
128	Q	51.4	Low	45.7	Very low	84 Å²	84	81.8 Å²	81.8	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-75.4	-26.9	177.9	-68.5	179	-11.8	0	0	112.4	S123 L124 S125 P126 A131 N132	S123-Q128 PolarHBondContact O-OE1 3.46Å; L124-Q128 HydrophobicContact CB-CB 4.41Å; L124-Q128 HydrophobicContact CD2-CB 3.59Å; L124-Q128 HydrophobicContact CD2-CG 4.5Å; S125-Q128 PolarHBondContact O-N 3.07Å; S125-Q128 PolarHBondContact OG-N 2.83Å; P126-Q128 VanDerWaalsContact C-N 3.35Å; P126-Q128 PolarHBondContact O-N 3.03Å; Q128-A131 PolarHBondContact O-N 3.05Å; Q128-N132 PolarHBondContact O-N 3.37Å
129	M	47.6	Very low	44.9	Very low	21 Å²	21	83.8 Å²	83.8	10%	0.103	45%	0.451	C	S	.	.	H	α-helix	trans	-72.4	-31.1	172.6	-160.2	176.3	76.4	0	0	112.3	Y74 W86 L113 S125 P126 A131 T137	Y74-M129 HydrophobicContact CD1-CE 4.35Å; Y74-M129 HydrophobicContact CD2-CE 3.49Å; Y74-M129 VanDerWaalsContact CD2-CE 3.49Å; Y74-M129 HydrophobicContact CE2-CE 4.27Å; Y74-M129 HydrophobicContact CG-CE 3.53Å; W86-M129 HydrophobicContact CD2-CE 4.28Å; W86-M129 HydrophobicContact CD2-SD 3.58Å; W86-M129 VanDerWaalsContact CD2-SD 3.58Å; W86-M129 HydrophobicContact CE3-CE 3.74Å; W86-M129 HydrophobicContact CE3-SD 3.61Å; W86-M129 HydrophobicContact CG-SD 4.08Å; W86-M129 HydrophobicContact CH2-CB 4.4Å; W86-M129 HydrophobicContact CH2-SD 4.19Å; W86-M129 HydrophobicContact CZ2-SD 4.16Å; W86-M129 HydrophobicContact CZ3-CE 3.99Å; W86-M129 HydrophobicContact CZ3-SD 3.93Å; L113-M129 HydrophobicContact CD1-CE 4.49Å; S125-M129 PolarHBondContact O-N 3.44Å; P126-M129 PolarHBondContact O-N 3.17Å; P126-M129 VanDerWaalsContact O-N 3.16Å; M129-A131 VanDerWaalsContact C-N 3.32Å; M129-T137 HydrophobicContact CG-CG2 4.44Å
130	F	46.4	Very low	44.5	Very low	132 Å²	132	87 Å²	87	58%	0.579	47%	0.472	S	S	*	.	H	α-helix	trans	-73.3	-23.6	172.1	-74.4	-71.1	0	0	0	113.3	Y74 P126 T127	Y74-F130 AromaticContact CD2-CE1 3.65Å; Y74-F130 HydrophobicContact CD2-CE1 3.65Å; Y74-F130 AromaticContact CD2-CE2 3.99Å; Y74-F130 HydrophobicContact CD2-CE2 3.99Å; Y74-F130 AromaticContact CD2-CZ 3.31Å; Y74-F130 HydrophobicContact CD2-CZ 3.31Å; Y74-F130 HydrophobicContact CE2-CD1 4.37Å; Y74-F130 AromaticContact CE2-CE1 3.47Å; Y74-F130 HydrophobicContact CE2-CE1 3.47Å; Y74-F130 VanDerWaalsContact CE2-CE1 3.47Å; Y74-F130 AromaticContact CE2-CZ 3.62Å; Y74-F130 HydrophobicContact CE2-CZ 3.62Å; Y74-F130 HydrophobicContact CG-CZ 4.4Å; P126-F130 WeakPolarHBondContact O-CD2 3.44Å; P126-F130 PolarHBondContact O-N 3.33Å; P126-F130 VanDerWaalsContact O-N 3.09Å; T127-F130 PolarHBondContact O-N 3.3Å
131	A	44.5	Very low	44.7	Very low	80 Å²	80	83.3 Å²	83.3	66%	0.661	46%	0.456	S	S	*	.	H	α-helix	trans	-78.2	-26.4	179.2	0	0	0	0	0	113.1	T127 Q128 M129	T127-A131 PolarHBondContact O-N 3.18Å; Q128-A131 PolarHBondContact O-N 3.05Å; M129-A131 VanDerWaalsContact C-N 3.32Å
132	N	41	Very low	44.8	Very low	85 Å²	85	83.9 Å²	83.9	46%	0.455	46%	0.46	S	S	.	.	S	Bend	trans	-95	117.6	172.8	-65.1	-20.9	0	0	0	107.6	Q128 Y134 T137	Q128-N132 PolarHBondContact O-N 3.37Å; N132-Y134 PolarHBondContact O-N 3.09Å; N132-Y134 VanDerWaalsContact O-N 3.17Å; N132-T137 VanDerWaalsContact CB-OG1 3.29Å; N132-T137 WeakPolarHBondContact CB-OG1 3.29Å; N132-T137 PolarHBondContact O-OG1 3.46Å
133	D	40.5	Very low	44.7	Very low	123 Å²	123	91 Å²	91	66%	0.658	49%	0.489	S	S	*	.			trans	-37.2	125.1	178.9	-81.9	-40.4	0	0	0	111.2	E135 A136 T137	D133-E135 PolarHBondContact O-N 3.11Å; D133-A136 HydrophobicContact CB-CB 4.04Å; D133-A136 WeakPolarHBondContact O-CA 3.34Å; D133-A136 WeakPolarHBondContact O-CB 3.49Å; D133-A136 PolarHBondContact O-N 3.22Å; D133-T137 PolarHBondContact O-N 3.04Å; D133-T137 PolarHBondContact O-OG1 3.23Å
134	Y	42.9	Very low	44.6	Very low	153 Å²	153	92.6 Å²	92.6	60%	0.6	50%	0.496	S	S	*	.	H	α-helix	trans	-50.4	-35.3	-175.5	70	-82.1	0	0	0	111.5	N132 I138	N132-Y134 PolarHBondContact O-N 3.09Å; N132-Y134 VanDerWaalsContact O-N 3.17Å; Y134-I138 VanDerWaalsContact O-CD1 3.27Å; Y134-I138 WeakPolarHBondContact O-CD1 3.42Å; Y134-I138 WeakPolarHBondContact O-CG1 3.16Å; Y134-I138 PolarHBondContact O-N 3.28Å
135	E	41.1	Very low	44.1	Very low	106 Å²	106	98.6 Å²	98.6	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-71.1	-40.2	175.6	-58.5	-157.9	165.3	0	0	113	D133 T137 I138 N139	D133-E135 PolarHBondContact O-N 3.11Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.97Å; E135-I138 PolarHBondContact O-N 2.85Å; E135-N139 WeakPolarHBondContact O-CB 2.99Å; E135-N139 PolarHBondContact O-N 3.03Å; E135-N139 PolarHBondContact O-ND2 3.4Å; E135-N139 VanDerWaalsContact O-ND2 3.13Å
136	A	39.9	Very low	43.7	Very low	56 Å²	56	101.2 Å²	101.2	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-65.5	-38.3	-179.7	0	0	0	0	0	111.6	D133 T140	D133-A136 HydrophobicContact CB-CB 4.04Å; D133-A136 WeakPolarHBondContact O-CA 3.34Å; D133-A136 WeakPolarHBondContact O-CB 3.49Å; D133-A136 PolarHBondContact O-N 3.22Å; A136-T140 PolarHBondContact O-N 3.5Å; A136-T140 PolarHBondContact O-OG1 2.89Å
137	T	39.8	Very low	43.7	Very low	17 Å²	17	102.8 Å²	102.8	10%	0.104	55%	0.548	C	S	.	.	H	α-helix	trans	-74.2	-31.3	179.8	-56.3	0	0	0	0	112.5	M114 M129 N132 D133 E135	M114-T137 HydrophobicContact CE-CG2 3.21Å; M129-T137 HydrophobicContact CG-CG2 4.44Å; N132-T137 VanDerWaalsContact CB-OG1 3.29Å; N132-T137 WeakPolarHBondContact CB-OG1 3.29Å; N132-T137 PolarHBondContact O-OG1 3.46Å; D133-T137 PolarHBondContact O-N 3.04Å; D133-T137 PolarHBondContact O-OG1 3.23Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.97Å
138	I	42.8	Very low	43.8	Very low	78 Å²	78	100.6 Å²	100.6	40%	0.4	54%	0.537	S	S	.	.	H	α-helix	trans	-74.1	-38.8	174.7	-69.5	167	0	0	0	110.8	Y134 E135 T140	Y134-I138 VanDerWaalsContact O-CD1 3.27Å; Y134-I138 WeakPolarHBondContact O-CD1 3.42Å; Y134-I138 WeakPolarHBondContact O-CG1 3.16Å; Y134-I138 PolarHBondContact O-N 3.28Å; E135-I138 PolarHBondContact O-N 2.85Å; I138-T140 VanDerWaalsContact C-N 3.31Å; I138-T140 PolarHBondContact O-N 3.37Å
139	N	37.7	Very low	43.9	Very low	132 Å²	132	103 Å²	103	71%	0.706	54%	0.543	S	S	*	.	H	α-helix	trans	-73.2	-17.2	-176.8	-72.2	-24.7	0	0	0	114.4	E135	E135-N139 WeakPolarHBondContact O-CB 2.99Å; E135-N139 PolarHBondContact O-N 3.03Å; E135-N139 PolarHBondContact O-ND2 3.4Å; E135-N139 VanDerWaalsContact O-ND2 3.13Å
140	T	43.9	Very low	43.8	Very low	96 Å²	96	106.6 Å²	106.6	59%	0.589	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-5.5	-177.7	7	0	0	0	0	114.4	A136 I138	A136-T140 PolarHBondContact O-N 3.5Å; A136-T140 PolarHBondContact O-OG1 2.89Å; I138-T140 VanDerWaalsContact C-N 3.31Å; I138-T140 PolarHBondContact O-N 3.37Å
141	F	45.5	Very low	44.2	Very low	104 Å²	104	100.3 Å²	100.3	46%	0.456	54%	0.538	S	S	.	.	S	Bend	trans	-139.8	96	-166.6	-66	-78.9	0	0	0	113.7	M114	M114-F141 HydrophobicContact CE-CD2 4.16Å; M114-F141 HydrophobicContact CE-CE2 4.46Å
142	N	40.3	Very low	44.3	Very low	142 Å²	142	97 Å²	97	76%	0.759	51%	0.51	S	S	*	.			trans	45	99.3	156.8	-69.7	-4.6	0	0	0	120.1	T144	N142-T144 VanDerWaalsContact C-N 3.31Å; N142-T144 PolarHBondContact O-N 3.05Å
143	E	39.2	Very low	44.8	Very low	199 Å²	199	93 Å²	93	93%	0.93	49%	0.489	S	S	*	.	S	Bend		45.8	12.7	127.3	-63.9	-170.8	175.4	0	0	122.5
144	T	41	Very low	44.9	Very low	129 Å²	129	90.1 Å²	90.1	79%	0.791	47%	0.471	S	S	*	.			trans	-139	125.7	171	47.8	0	0	0	0	111.1	N142	N142-T144 VanDerWaalsContact C-N 3.31Å; N142-T144 PolarHBondContact O-N 3.05Å
145	E	40	Very low	45.1	Very low	172 Å²	172	84.6 Å²	84.6	80%	0.804	45%	0.45	S	S	*	.			trans	-51.7	144.9	177.9	-73	-176.3	158	0	0	111.5	T147	E145-T147 WeakPolarHBondContact O-CG2 3.36Å; E145-T147 PolarHBondContact O-N 3.06Å
146	P	47.6	Very low	44.9	Very low	84 Å²	84	81.5 Å²	81.5	55%	0.545	44%	0.439	S	S	.	.			trans	-62.1	96.6	176.8	24.3	-32.1	0	0	0	110.2	M112 S148	M112-P146 WeakPolarHBondContact O-CB 3.27Å; P146-S148 PolarHBondContact O-N 3.08Å
147	T	53	Low	44.5	Very low	57 Å²	57	81.7 Å²	81.7	35%	0.35	44%	0.435	S	S	.	.			trans	-74.9	120.5	179.9	65.7	0	0	0	0	110	M112 E145 R149	M112-T147 WeakPolarHBondContact CE-O 2.68Å; M112-T147 WeakPolarHBondContact CE-OG1 3.45Å; E145-T147 WeakPolarHBondContact O-CG2 3.36Å; E145-T147 PolarHBondContact O-N 3.06Å; T147-R149 PolarHBondContact OG1-NE 2.93Å
148	S	53.1	Low	44	Very low	62 Å²	62	84.8 Å²	84.8	43%	0.434	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.3	169.7	-65	0	0	0	0	108.9	P146	P146-S148 PolarHBondContact O-N 3.08Å
149	R	54.7	Low	43.4	Very low	136 Å²	136	84.8 Å²	84.8	51%	0.513	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.4	-176.2	-62.5	-67.1	-174.4	158.7	3.2	110.8	I28 H110 M112 T147	I28-R149 HydrophobicContact CD1-CB 3.79Å; I28-R149 HydrophobicContact CD1-CG 4.46Å; I28-R149 HydrophobicContact CG1-CB 4.19Å; I28-R149 HydrophobicContact CG1-CG 4.42Å; H110-R149 PolarHBondContact N-O 3.07Å; H110-R149 PolarHBondContact O-N 2.95Å; M112-R149 HydrophobicContact CE-CG 3.96Å; T147-R149 PolarHBondContact OG1-NE 2.93Å
150	V	45.4	Very low	43	Very low	95 Å²	95	83.4 Å²	83.4	58%	0.576	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.8	-179.6	-178.2	0	0	0	0	109.9	L109	L109-V150 HydrophobicContact CD1-CB 4.39Å; L109-V150 HydrophobicContact CD1-CG2 3.45Å; L109-V150 VanDerWaalsContact CD1-CG2 3.45Å
151	C	54.7	Low	42.4	Very low	1 Å²	1	80.8 Å²	80.8	1%	0.007	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.4	172.6	165.1	0	0	0	0	110.1	T25 C108 H110	T25-C151 VanDerWaalsContact CB-SG 3.54Å; T25-C151 HydrophobicContact CG2-CB 4.17Å; T25-C151 VanDerWaalsContact CG2-SG 3.57Å; T25-C151 PolarHBondContact OG1-SG 2.85Å; C108-C151 CarbonylContact C-O 3.52Å; C108-C151 HydrophobicContact CB-CB 4.27Å; C108-C151 PolarHBondContact N-O 2.63Å; C108-C151 CarbonylContact O-C 3.47Å; C108-C151 WeakPolarHBondContact O-CA 3.28Å; C108-C151 WeakPolarHBondContact O-CB 3.46Å; C108-C151 PolarHBondContact O-N 3.43Å; H110-C151 WeakPolarHBondContact CD2-CB 2.99Å; H110-C151 WeakPolarHBondContact NE2-CB 3.5Å
152	S	45.8	Very low	41.6	Very low	11 Å²	11	80.6 Å²	80.6	8%	0.077	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	164.6	-165.3	0	0	0	0	108.8	T22 H107	T22-S152 PolarHBondContact N-O 3.3Å; T22-S152 PolarHBondContact OG1-O 2.88Å; H107-S152 PolarHBondContact CD2-OG 2.62Å; H107-S152 PolarHBondContact NE2-OG 3.13Å
153	M	51	Low	41.2	Very low	1 Å²	1	77.1 Å²	77.1	1%	0.005	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.8	174.8	-65.4	-161	-82.5	0	0	109	L19 M21 Y45 I106 C108	L19-M153 HydrophobicContact CD2-CE 3.7Å; L19-M153 HydrophobicContact CD2-SD 3.86Å; M21-M153 HydrophobicContact CG-SD 4.3Å; Y45-M153 HydrophobicContact CD2-CE 4.47Å; Y45-M153 HydrophobicContact CD2-SD 3.6Å; Y45-M153 HydrophobicContact CE2-SD 4.24Å; Y45-M153 HydrophobicContact CG-SD 3.85Å; I106-M153 PolarHBondContact N-O 3.16Å; I106-M153 PolarHBondContact O-N 2.93Å; C108-M153 HydrophobicContact CB-CE 3.99Å; C108-M153 WeakPolarHBondContact SG-CE 3.48Å
154	H	44.1	Very low	40.8	Very low	61 Å²	61	72.9 Å²	72.9	28%	0.282	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.9	178.1	-71.1	-132.2	0	0	0	109.2	V20 T22 R105	V20-H154 PolarHBondContact O-N 3.28Å; V20-H154 VanDerWaalsContact O-O 3.09Å; T22-H154 HydrophobicContact CG2-CB 3.51Å; T22-H154 WeakPolarHBondContact CG2-CD2 3.21Å; T22-H154 VanDerWaalsContact CG2-CG 3.43Å; T22-H154 PolarHBondContact OG1-CD2 2.89Å; T22-H154 PolarHBondContact OG1-NE2 3.32Å; R105-H154 VanDerWaalsContact CD-CE1 3.42Å; R105-H154 WeakPolarHBondContact CD-CE1 3.22Å; R105-H154 PolarHBondContact NE-CE1 3.48Å
155	F	46.2	Very low	40.4	Very low	38 Å²	38	74 Å²	74	17%	0.167	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.2	170	-63.6	-76.4	0	0	0	107.6	L19 Y65 I106	L19-F155 HydrophobicContact CB-CE1 4.45Å; L19-F155 HydrophobicContact CD1-CD1 4.5Å; L19-F155 HydrophobicContact CD1-CE1 3.5Å; L19-F155 VanDerWaalsContact CD1-CE1 3.5Å; L19-F155 HydrophobicContact CD1-CZ 4.18Å; L19-F155 HydrophobicContact CD2-CE1 4.37Å; L19-F155 HydrophobicContact CD2-CZ 4.3Å; L19-F155 HydrophobicContact CG-CE1 3.44Å; L19-F155 VanDerWaalsContact CG-CE1 3.44Å; L19-F155 HydrophobicContact CG-CZ 3.81Å; Y65-F155 HydrophobicContact CE1-CD1 4.31Å; Y65-F155 HydrophobicContact CE1-CE1 4.16Å; Y65-F155 HydrophobicContact CE1-CZ 4.37Å; Y65-F155 AromaticContact CZ-CE1 3.74Å; Y65-F155 WeakPolarHBondContact OH-CD1 3.41Å; Y65-F155 WeakPolarHBondContact OH-CE1 3.28Å; Y65-F155 WeakPolarHBondContact OH-CZ 3.49Å; I106-F155 HydrophobicContact CB-CE2 3.44Å; I106-F155 VanDerWaalsContact CB-CE2 3.44Å; I106-F155 HydrophobicContact CB-CZ 3.9Å; I106-F155 HydrophobicContact CD1-CD2 4.11Å; I106-F155 HydrophobicContact CD1-CE1 4.12Å; I106-F155 HydrophobicContact CD1-CE2 3.11Å; I106-F155 HydrophobicContact CD1-CZ 3.09Å; I106-F155 HydrophobicContact CG1-CD2 4.15Å; I106-F155 HydrophobicContact CG1-CE2 3.19Å; I106-F155 HydrophobicContact CG1-CZ 3.71Å
156	T	36.3	Very low	40.2	Very low	41 Å²	41	72.9 Å²	72.9	25%	0.252	41%	0.407	S	S	.	.			trans	-101	115.7	158.7	49.9	0	0	0	0	106.6	F158 L161	T156-F158 PolarHBondContact O-N 3.41Å; T156-L161 WeakPolarHBondContact OG1-CD1 3.16Å
157	P	32.3	Very low	39.4	Very low	60 Å²	60	70.7 Å²	70.7	39%	0.39	39%	0.392	S	S	.	.			trans	-45.1	137.9	163	-25.9	33.9	0	0	0	109.3	S159 D160	P157-S159 WeakPolarHBondContact CB-OG 3.12Å; P157-S159 PolarHBondContact O-N 3.11Å; P157-D160 WeakPolarHBondContact CD-OD2 3.39Å; P157-D160 WeakPolarHBondContact O-CB 3.43Å; P157-D160 PolarHBondContact O-N 3.49Å
158	F	29.5	Very low	38.2	Very low	81 Å²	81	70.1 Å²	70.1	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-54.4	-30.7	-177.1	-173.4	-107.6	0	0	0	112.2	T156 D160 L161 I162	T156-F158 PolarHBondContact O-N 3.41Å; F158-D160 VanDerWaalsContact C-N 3.26Å; F158-D160 PolarHBondContact O-N 3.26Å; F158-L161 PolarHBondContact O-N 3.46Å; F158-I162 HydrophobicContact CD1-CD1 3.37Å; F158-I162 HydrophobicContact CD1-CG1 4.11Å; F158-I162 HydrophobicContact CE1-CD1 3.37Å; F158-I162 HydrophobicContact CE1-CG1 3.92Å; F158-I162 HydrophobicContact CG-CD1 4.3Å; F158-I162 HydrophobicContact CZ-CD1 4.28Å; F158-I162 HydrophobicContact CZ-CG1 4.37Å; F158-I162 WeakPolarHBondContact O-CD1 2.92Å; F158-I162 WeakPolarHBondContact O-CG1 3.33Å; F158-I162 PolarHBondContact O-N 2.91Å
159	S	29.8	Very low	37.1	Very low	79 Å²	79	75.7 Å²	75.7	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-54.7	-35.2	172.2	53.2	0	0	0	0	114.3	P157 L161	P157-S159 WeakPolarHBondContact CB-OG 3.12Å; P157-S159 PolarHBondContact O-N 3.11Å; S159-L161 VanDerWaalsContact C-N 3.35Å
160	D	29.8	Very low	35.9	Very low	102 Å²	102	72.5 Å²	72.5	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-81.8	-19.2	-176.3	-63.3	-6.2	0	0	0	111.9	P157 F158	P157-D160 WeakPolarHBondContact CD-OD2 3.39Å; P157-D160 WeakPolarHBondContact O-CB 3.43Å; P157-D160 PolarHBondContact O-N 3.49Å; F158-D160 VanDerWaalsContact C-N 3.26Å; F158-D160 PolarHBondContact O-N 3.26Å
161	L	30.7	Very low	35.1	Very low	41 Å²	41	72.5 Å²	72.5	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-79.5	-34.6	173	-69.9	164.2	0	0	0	111.1	V20 T156 F158 S159 G163 V167	V20-L161 HydrophobicContact CG2-CD1 4.28Å; T156-L161 WeakPolarHBondContact OG1-CD1 3.16Å; F158-L161 PolarHBondContact O-N 3.46Å; S159-L161 VanDerWaalsContact C-N 3.35Å; L161-G163 VanDerWaalsContact C-N 3.29Å; L161-G163 PolarHBondContact O-N 3.36Å; L161-V167 HydrophobicContact CB-CG2 4.23Å; L161-V167 WeakPolarHBondContact O-CG2 3.3Å
162	I	29.9	Very low	33.8	Very low	100 Å²	100	80.4 Å²	80.4	51%	0.513	44%	0.435	S	S	.	.	H	α-helix	trans	-69.1	-24.2	-177.8	-63.5	160.6	0	0	0	112.6	F158 N164	F158-I162 HydrophobicContact CD1-CD1 3.37Å; F158-I162 HydrophobicContact CD1-CG1 4.11Å; F158-I162 HydrophobicContact CE1-CD1 3.37Å; F158-I162 HydrophobicContact CE1-CG1 3.92Å; F158-I162 HydrophobicContact CG-CD1 4.3Å; F158-I162 HydrophobicContact CZ-CD1 4.28Å; F158-I162 HydrophobicContact CZ-CG1 4.37Å; F158-I162 WeakPolarHBondContact O-CD1 2.92Å; F158-I162 WeakPolarHBondContact O-CG1 3.33Å; F158-I162 PolarHBondContact O-N 2.91Å; I162-N164 PolarHBondContact O-N 2.95Å; I162-N164 VanDerWaalsContact O-N 3.15Å
163	G	31.1	Very low	33	Very low	69 Å²	69	82.9 Å²	82.9	71%	0.711	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.3	-179.5	0	0	0	0	0	116	L161	L161-G163 VanDerWaalsContact C-N 3.29Å; L161-G163 PolarHBondContact O-N 3.36Å
164	N	30.3	Very low	32	Very low	110 Å²	110	88 Å²	88	59%	0.588	47%	0.474	S	S	*	.	S	Bend	trans	-121.3	130	172.8	-85.4	-60.9	0	0	0	109.4	I162 K166 V167	I162-N164 PolarHBondContact O-N 2.95Å; I162-N164 VanDerWaalsContact O-N 3.15Å; N164-K166 PolarHBondContact O-N 3.44Å; N164-V167 PolarHBondContact O-N 3Å
165	D	34.1	Very low	31.2	Very low	153 Å²	153	92.5 Å²	92.5	82%	0.818	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	20.1	-178.9	-128.4	-2.2	0	0	0	115.8
166	K	34.9	Very low	30.2	Very low	148 Å²	148	93.6 Å²	93.6	64%	0.643	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-22.6	-177.5	-64.1	-175.7	179.6	177.2	0	112.7	N164 R169 V170	N164-K166 PolarHBondContact O-N 3.44Å; K166-R169 PolarHBondContact O-N 3.13Å; K166-V170 WeakPolarHBondContact O-CG2 3.34Å; K166-V170 PolarHBondContact O-N 3.45Å
167	V	31.2	Very low	29.7	Very low	39 Å²	39	96.7 Å²	96.7	24%	0.236	52%	0.519	C	S	.	.	H	α-helix	trans	-69.1	-36.2	179.5	-179.8	0	0	0	0	112.1	L161 N164 R169 V170 L171	L161-V167 HydrophobicContact CB-CG2 4.23Å; L161-V167 WeakPolarHBondContact O-CG2 3.3Å; N164-V167 PolarHBondContact O-N 3Å; V167-R169 PolarHBondContact O-N 2.99Å; V167-V170 PolarHBondContact O-N 3.06Å; V167-L171 HydrophobicContact CG1-CD1 4.12Å; V167-L171 PolarHBondContact O-N 3.25Å; V167-L171 VanDerWaalsContact O-N 3.09Å
168	G	27.6	Very low	29.4	Very low	45 Å²	45	97.2 Å²	97.2	46%	0.464	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-25.9	173.3	0	0	0	0	0	114	K172	G168-K172 WeakPolarHBondContact O-CB 3.31Å; G168-K172 VanDerWaalsContact O-CG 3.3Å; G168-K172 WeakPolarHBondContact O-CG 3.43Å; G168-K172 PolarHBondContact O-N 3.38Å
169	R	29.3	Very low	29.2	Very low	179 Å²	179	101.2 Å²	101.2	68%	0.675	54%	0.538	S	S	*	.	H	α-helix	trans	-81.5	-32.1	173.9	-96.5	-176.7	-85.8	-171.7	-8.9	112.8	K166 V167 S173	K166-R169 PolarHBondContact O-N 3.13Å; V167-R169 PolarHBondContact O-N 2.99Å; R169-S173 VanDerWaalsContact O-CB 3.29Å; R169-S173 WeakPolarHBondContact O-CB 3.42Å; R169-S173 PolarHBondContact O-N 3.25Å; R169-S173 PolarHBondContact O-OG 3.22Å
170	V	30.7	Very low	29	Very low	69 Å²	69	105.8 Å²	105.8	42%	0.418	55%	0.55	S	S	.	*	H	α-helix	trans	-70.8	-34.2	175.7	176.4	0	0	0	0	111.3	K166 V167 S173 K174	K166-V170 WeakPolarHBondContact O-CG2 3.34Å; K166-V170 PolarHBondContact O-N 3.45Å; V167-V170 PolarHBondContact O-N 3.06Å; V170-S173 PolarHBondContact O-OG 2.72Å; V170-K174 VanDerWaalsContact O-CG 3.26Å; V170-K174 WeakPolarHBondContact O-CG 3.09Å; V170-K174 PolarHBondContact O-N 3.11Å
171	L	28.9	Very low	28.8	Very low	95 Å²	95	104.8 Å²	104.8	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-78.1	-33.5	174.6	-74.4	159.7	0	0	0	113.6	V167 K174 H175	V167-L171 HydrophobicContact CG1-CD1 4.12Å; V167-L171 PolarHBondContact O-N 3.25Å; V167-L171 VanDerWaalsContact O-N 3.09Å; L171-K174 HydrophobicContact CD2-CD 4.29Å; L171-H175 PolarHBondContact O-ND1 3.19Å
172	K	27.4	Very low	28.4	Very low	166 Å²	166	113.8 Å²	113.8	72%	0.722	58%	0.581	S	S	*	*	H	α-helix	trans	-75.4	-32.1	173.9	-75.4	-179.6	178.9	-178.8	0	112.8	G168 K174 H175	G168-K172 WeakPolarHBondContact O-CB 3.31Å; G168-K172 VanDerWaalsContact O-CG 3.3Å; G168-K172 WeakPolarHBondContact O-CG 3.43Å; G168-K172 PolarHBondContact O-N 3.38Å; K172-K174 VanDerWaalsContact C-N 3.34Å; K172-H175 PolarHBondContact O-N 3.36Å
173	S	28.5	Very low	28.3	Very low	63 Å²	63	114.2 Å²	114.2	44%	0.441	59%	0.591	S	S	.	*	H	α-helix	trans	-70.6	-30.3	172.6	75.3	0	0	0	0	112.2	R169 V170 H175 A176 Y177	R169-S173 VanDerWaalsContact O-CB 3.29Å; R169-S173 WeakPolarHBondContact O-CB 3.42Å; R169-S173 PolarHBondContact O-N 3.25Å; R169-S173 PolarHBondContact O-OG 3.22Å; V170-S173 PolarHBondContact O-OG 2.72Å; S173-H175 VanDerWaalsContact C-N 3.3Å; S173-H175 PolarHBondContact O-N 3.45Å; S173-A176 PolarHBondContact O-N 3.5Å; S173-A176 VanDerWaalsContact O-N 3.12Å; S173-Y177 WeakPolarHBondContact O-CB 3.45Å; S173-Y177 PolarHBondContact O-N 3.45Å
174	K	28.7	Very low	28	Very low	110 Å²	110	116.5 Å²	116.5	48%	0.478	60%	0.596	S	S	.	*	H	α-helix	trans	-56.6	-38.9	171.8	-79.6	172.6	-178	-175.1	0	112.6	V170 L171 K172 V178	V170-K174 VanDerWaalsContact O-CG 3.26Å; V170-K174 WeakPolarHBondContact O-CG 3.09Å; V170-K174 PolarHBondContact O-N 3.11Å; L171-K174 HydrophobicContact CD2-CD 4.29Å; K172-K174 VanDerWaalsContact C-N 3.34Å; K174-V178 VanDerWaalsContact O-CG2 3.25Å; K174-V178 WeakPolarHBondContact O-CG2 3.31Å; K174-V178 PolarHBondContact O-N 3.47Å
175	H	27.6	Very low	27.6	Very low	155 Å²	155	119.7 Å²	119.7	72%	0.718	61%	0.605	S	S	*	*	H	α-helix	trans	-71.6	-30.1	175.5	-80.1	77.4	0	0	0	114	L171 K172 S173	L171-H175 PolarHBondContact O-ND1 3.19Å; K172-H175 PolarHBondContact O-N 3.36Å; S173-H175 VanDerWaalsContact C-N 3.3Å; S173-H175 PolarHBondContact O-N 3.45Å
176	A	25.5	Very low	27.1	Very low	60 Å²	60	119.5 Å²	119.5	50%	0.496	60%	0.599	S	S	.	*	H	α-helix	trans	-82.1	-33.8	177.7	0	0	0	0	0	112.5	S173 K179	S173-A176 PolarHBondContact O-N 3.5Å; S173-A176 VanDerWaalsContact O-N 3.12Å; A176-K179 PolarHBondContact O-N 2.98Å
177	Y	26.3	Very low	26.6	Very low	107 Å²	107	120.3 Å²	120.3	42%	0.42	61%	0.605	S	S	.	*	H	α-helix	trans	-72.6	-36.6	-177.4	-168.4	-94	0	0	0	112.4	R80 S173 K179 H180	R80-Y177 WeakPolarHBondContact CD-OH 3.13Å; R80-Y177 VanDerWaalsContact CZ-CE2 3.46Å; R80-Y177 VanDerWaalsContact CZ-CZ 3.47Å; R80-Y177 PolarHBondContact NE-OH 3.24Å; R80-Y177 PolarHBondContact NH1-OH 3.04Å; R80-Y177 VanDerWaalsContact NH1-OH 3.08Å; R80-Y177 PolarHBondContact NH2-OH 3.09Å; S173-Y177 WeakPolarHBondContact O-CB 3.45Å; S173-Y177 PolarHBondContact O-N 3.45Å; Y177-K179 VanDerWaalsContact C-N 3.25Å; Y177-K179 PolarHBondContact O-N 2.94Å; Y177-H180 PolarHBondContact O-N 2.79Å
178	V	26.6	Very low	26.3	Very low	71 Å²	71	127.6 Å²	127.6	43%	0.43	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-25.6	173.6	175.2	0	0	0	0	112	K174 H180 F216	K174-V178 VanDerWaalsContact O-CG2 3.25Å; K174-V178 WeakPolarHBondContact O-CG2 3.31Å; K174-V178 PolarHBondContact O-N 3.47Å; V178-H180 PolarHBondContact O-N 2.84Å; V178-F216 HydrophobicContact CG1-CE2 4.31Å; V178-F216 HydrophobicContact CG2-CD2 4.23Å; V178-F216 HydrophobicContact CG2-CE2 3.92Å
179	K	24.4	Very low	26.2	Very low	165 Å²	165	132.4 Å²	132.4	72%	0.717	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-18.8	174	-78.1	-175	176.6	-176.9	0	114.4	A176 Y177	A176-K179 PolarHBondContact O-N 2.98Å; Y177-K179 VanDerWaalsContact C-N 3.25Å; Y177-K179 PolarHBondContact O-N 2.94Å
180	H	25.5	Very low	26.1	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.806	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-10.7	-176.3	-88.1	20.9	0	0	0	114.5	Y177 V178 R182	Y177-H180 PolarHBondContact O-N 2.79Å; V178-H180 PolarHBondContact O-N 2.84Å; H180-R182 PolarHBondContact O-N 3.16Å
181	C	25.8	Very low	25.9	Very low	82 Å²	82	139.7 Å²	139.7	55%	0.554	68%	0.676	S	S	*	*			trans	-97.5	59.2	170.9	-69.3	0	0	0	0	110.8	P183	C181-P183 VanDerWaalsContact O-CD 3.28Å; C181-P183 WeakPolarHBondContact O-CD 3.26Å
182	R	22.2	Very low	25.8	Very low	229 Å²	229	138 Å²	138	86%	0.864	68%	0.681	S	S	*	*			trans	-79.6	112.2	161.8	-79.9	-168.8	178.2	-172.2	-1.1	107.9	H180	H180-R182 PolarHBondContact O-N 3.16Å
183	P	27.4	Very low	25.8	Very low	110 Å²	110	134 Å²	134	71%	0.714	69%	0.687	S	S	*	*			trans	-68.8	134.1	158.2	-2.1	21.2	0	0	0	106.8	C181 F185	C181-P183 VanDerWaalsContact O-CD 3.28Å; C181-P183 WeakPolarHBondContact O-CD 3.26Å; P183-F185 PolarHBondContact O-N 2.82Å
184	S	24.4	Very low	25.8	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	71%	0.709	S	S	*	*			trans	-57.1	105.1	167.9	46.7	0	0	0	0	109.3	Q186	S184-Q186 PolarHBondContact O-N 2.83Å
185	F	23	Very low	25.9	Very low	177 Å²	177	133.9 Å²	133.9	78%	0.776	73%	0.727	S	S	*	*			trans	-77.9	107.2	172.3	-141.5	-95.8	0	0	0	107.4	P183	P183-F185 PolarHBondContact O-N 2.82Å
186	Q	24.2	Very low	26	Very low	148 Å²	148	131.4 Å²	131.4	69%	0.692	73%	0.733	S	S	*	*			trans	-96.3	112.5	162.9	-86.2	-173.6	-36.3	0	0	107.5	S184 Y188	S184-Q186 PolarHBondContact O-N 2.83Å; Q186-Y188 HydrophobicContact CB-CE2 4.13Å; Q186-Y188 PolarHBondContact O-N 2.9Å
187	E	22.6	Very low	26.6	Very low	165 Å²	165	132.9 Å²	132.9	77%	0.771	75%	0.745	S	S	*	*			trans	-61.3	119.6	169.7	-77.1	176.3	152.3	0	0	109.8
188	Y	25.3	Very low	26.9	Very low	192 Å²	192	134.9 Å²	134.9	75%	0.753	76%	0.763	S	S	*	*			trans	-108.7	109.9	160.9	-78.2	-85.6	0	0	0	108.3	Q186 W190	Q186-Y188 HydrophobicContact CB-CE2 4.13Å; Q186-Y188 PolarHBondContact O-N 2.9Å; Y188-W190 PolarHBondContact O-N 2.81Å
189	N	26.1	Very low	27.2	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	78%	0.783	S	S	*	*			trans	-67.6	121.7	172	-80.2	-40.7	0	0	0	109.9
190	W	26.3	Very low	27.7	Very low	239 Å²	239	140.1 Å²	140.1	91%	0.905	79%	0.791	S	S	*	*			trans	-84	120	168.7	-130	77.2	0	0	0	109.2	Y188	Y188-W190 PolarHBondContact O-N 2.81Å
191	I	26.4	Very low	27.9	Very low	163 Å²	163	141.5 Å²	141.5	84%	0.836	80%	0.795	S	S	*	*			trans	-98.2	114.1	177.3	-43.9	166.7	0	0	0	106.3
192	G	27.9	Very low	28.1	Very low	60 Å²	60	148 Å²	148	62%	0.619	81%	0.807	S	S	*	*			trans	150.6	110.9	163.7	0	0	0	0	0	116.4
193	G	27.7	Very low	28.6	Very low	81 Å²	81	144.5 Å²	144.5	84%	0.835	80%	0.801	S	S	*	*			trans	108.6	78.3	134.5	0	0	0	0	0	118.4
194	G	28.3	Very low	28.7	Very low	87 Å²	87	148.3 Å²	148.3	90%	0.897	81%	0.809	S	S	*	*				70.3	122.1	123.5	0	0	0	0	0	120.5
195	G	29.5	Very low	29.2	Very low	83 Å²	83	152.8 Å²	152.8	86%	0.856	81%	0.814	S	S	*	*			trans	139.9	99.3	150.3	0	0	0	0	0	114.9
196	A	31.4	Very low	29.7	Very low	104 Å²	104	147.2 Å²	147.2	86%	0.86	81%	0.807	S	S	*	*			trans	-65.4	149.5	176.2	0	0	0	0	0	114.4
197	A	36.4	Very low	30.1	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	81%	0.807	S	S	*	*				157.9	104.8	118.7	0	0	0	0	0	111.8
198	D	32.5	Very low	30.5	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	80%	0.802	S	S	*	*			trans	28.1	146.2	132.3	-53.9	-28.2	0	0	0	123.7
199	D	34.6	Very low	30.9	Very low	159 Å²	159	145.6 Å²	145.6	85%	0.85	81%	0.805	S	S	*	*			trans	74.8	131.7	159.7	-59	-33.8	0	0	0	117
200	E	33.4	Very low	31.2	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	79%	0.786	S	S	*	*			cis	-166.4	150.5	38.6	-162	174.8	-177.9	0	0	110.8
201	K	30.1	Very low	31.4	Very low	203 Å²	203	135.3 Å²	135.3	88%	0.883	78%	0.775	S	S	*	*			trans	-60.8	129.1	178.9	-69.8	163.3	171.4	167.2	0	113.3
202	R	30.8	Very low	31.7	Very low	218 Å²	218	135 Å²	135	82%	0.823	77%	0.77	S	S	*	*			trans	-159.8	116.9	146.7	-147.2	165.9	174.9	177.7	-1.3	115.6
203	E	32.1	Very low	31.8	Very low	156 Å²	156	136.1 Å²	136.1	73%	0.729	76%	0.761	S	S	*	*			trans	66.5	73.1	149.3	-69.9	170.1	-147.4	0	0	120.1	K205	E203-K205 PolarHBondContact O-N 3.49Å
204	E	30.5	Very low	32	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	74%	0.743	S	S	*	*			trans	-73.3	90.2	153.4	-75.8	-178.3	134.8	0	0	111.4
205	K	33.8	Very low	32.3	Very low	211 Å²	211	136.8 Å²	136.8	92%	0.917	74%	0.737	S	S	*	*			trans	-141.1	3.4	160.2	-79.8	-163.7	178.1	173.9	0	116	E203	E203-K205 PolarHBondContact O-N 3.49Å
206	G	33.6	Very low	32.6	Very low	61 Å²	61	139.9 Å²	139.9	63%	0.629	73%	0.727	S	S	*	*	S	Bend	trans	-108.1	-9.1	-178.1	0	0	0	0	0	116.7	S208	G206-S208 PolarHBondContact O-N 3.43Å
207	F	32.2	Very low	32.9	Very low	161 Å²	161	136.9 Å²	136.9	71%	0.706	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-5.3	-162.4	-108.4	-93.8	0	0	0	116.4	R209	F207-R209 VanDerWaalsContact C-N 3.31Å; F207-R209 PolarHBondContact O-N 2.8Å
208	S	31.7	Very low	33.2	Very low	95 Å²	95	136.1 Å²	136.1	66%	0.664	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-10.6	-173	-168.3	0	0	0	0	115.1	G206	G206-S208 PolarHBondContact O-N 3.43Å
209	R	34.4	Very low	33.7	Very low	214 Å²	214	132.9 Å²	132.9	81%	0.808	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-28.4	176.3	-70.3	-177.4	106.9	-168.8	4.2	113.6	F207 Q212	F207-R209 VanDerWaalsContact C-N 3.31Å; F207-R209 PolarHBondContact O-N 2.8Å; R209-Q212 PolarHBondContact O-N 2.91Å
210	L	31.9	Very low	34.4	Very low	73 Å²	73	130.5 Å²	130.5	38%	0.382	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-74.8	-27.5	-178.7	-72.7	168.6	0	0	0	112.8	Q212 L213	L210-Q212 PolarHBondContact O-N 2.75Å; L210-L213 HydrophobicContact CD2-CD1 3.72Å; L210-L213 PolarHBondContact O-N 2.94Å
211	S	30.3	Very low	35.1	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-72.1	-4.9	174.1	57.9	0	0	0	0	114.3
212	Q	33.4	Very low	35.9	Very low	158 Å²	158	116.7 Å²	116.7	74%	0.738	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-100.3	-3.6	175.3	-62.1	-167.5	-15	0	0	113.4	R209 L210 S214	R209-Q212 PolarHBondContact O-N 2.91Å; L210-Q212 PolarHBondContact O-N 2.75Å; Q212-S214 PolarHBondContact O-N 2.87Å
213	L	28.5	Very low	36.9	Very low	83 Å²	83	110.1 Å²	110.1	44%	0.435	56%	0.563	S	S	.	*			trans	-77.5	112.2	176.9	-66.7	176.9	0	0	0	109.3	L210 V217 L225	L210-L213 HydrophobicContact CD2-CD1 3.72Å; L210-L213 PolarHBondContact O-N 2.94Å; L213-V217 HydrophobicContact CB-CG2 4.02Å; L213-L225 HydrophobicContact CD1-CD1 4.22Å
214	S	32.8	Very low	37.7	Very low	63 Å²	63	107.9 Å²	107.9	44%	0.441	55%	0.553	S	S	.	*			trans	-58.7	154.5	174.8	91.9	0	0	0	0	110.4	Q212 F216 V217	Q212-S214 PolarHBondContact O-N 2.87Å; S214-F216 PolarHBondContact O-N 3.26Å; S214-F216 PolarHBondContact OG-N 2.85Å; S214-V217 VanDerWaalsContact O-CG2 3.29Å; S214-V217 WeakPolarHBondContact O-CG2 3.32Å; S214-V217 PolarHBondContact O-N 3.15Å
215	P	34.6	Very low	38.3	Very low	119 Å²	119	100.6 Å²	100.6	77%	0.773	52%	0.519	S	S	*	.	S	Bend	trans	-62.7	3.9	177.5	25	-33.2	0	0	0	114.7
216	F	35	Very low	38.7	Very low	148 Å²	148	96.1 Å²	96.1	65%	0.649	50%	0.502	S	S	*	.			trans	-113.1	49.2	174.3	-56.3	-77	0	0	0	111.4	V178 S214 N218	V178-F216 HydrophobicContact CG1-CE2 4.31Å; V178-F216 HydrophobicContact CG2-CD2 4.23Å; V178-F216 HydrophobicContact CG2-CE2 3.92Å; S214-F216 PolarHBondContact O-N 3.26Å; S214-F216 PolarHBondContact OG-N 2.85Å; F216-N218 PolarHBondContact O-N 3.3Å
217	V	37.9	Very low	39.6	Very low	40 Å²	40	97.7 Å²	97.7	24%	0.242	50%	0.503	C	S	.	.			trans	-61	126.5	171.7	-169.3	0	0	0	0	108.3	L213 S214 Y219 D221 L222	L213-V217 HydrophobicContact CB-CG2 4.02Å; S214-V217 VanDerWaalsContact O-CG2 3.29Å; S214-V217 WeakPolarHBondContact O-CG2 3.32Å; S214-V217 PolarHBondContact O-N 3.15Å; V217-Y219 PolarHBondContact O-N 3.43Å; V217-D221 HydrophobicContact CG1-CB 3.83Å; V217-L222 HydrophobicContact CB-CD1 4.29Å; V217-L222 HydrophobicContact CB-CD2 3.76Å; V217-L222 HydrophobicContact CB-CG 3.84Å; V217-L222 HydrophobicContact CG1-CD2 3.57Å; V217-L222 HydrophobicContact CG1-CG 3.57Å; V217-L222 HydrophobicContact CG2-CD2 4.32Å
218	N	42.9	Very low	40.5	Very low	75 Å²	75	95.7 Å²	95.7	40%	0.401	50%	0.496	S	S	.	.			trans	-57	138.9	175.5	179.2	4.6	0	0	0	108.8	F216 E220 D221 L222	F216-N218 PolarHBondContact O-N 3.3Å; N218-E220 PolarHBondContact O-N 2.99Å; N218-E220 PolarHBondContact OD1-N 3.15Å; N218-D221 HydrophobicContact CB-CB 4.27Å; N218-D221 WeakPolarHBondContact CB-OD2 3.42Å; N218-D221 WeakPolarHBondContact O-CB 3.42Å; N218-D221 PolarHBondContact O-N 2.65Å; N218-L222 PolarHBondContact O-N 2.85Å
219	Y	44.4	Very low	40.7	Very low	82 Å²	82	94.4 Å²	94.4	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-57.6	-33.6	177.9	179.6	-90.8	0	0	0	111.5	V217 L222 M223	V217-Y219 PolarHBondContact O-N 3.43Å; Y219-L222 PolarHBondContact O-N 3.48Å; Y219-M223 HydrophobicContact CD1-CG 3.87Å; Y219-M223 HydrophobicContact CE1-CG 3.41Å; Y219-M223 VanDerWaalsContact CE1-CG 3.41Å; Y219-M223 HydrophobicContact CE1-SD 4.13Å; Y219-M223 HydrophobicContact CE2-CE 4.24Å; Y219-M223 HydrophobicContact CE2-CG 4.32Å; Y219-M223 HydrophobicContact CE2-SD 4.41Å; Y219-M223 HydrophobicContact CG-CG 4.48Å; Y219-M223 WeakPolarHBondContact O-CB 3.43Å; Y219-M223 VanDerWaalsContact O-CG 3.24Å; Y219-M223 WeakPolarHBondContact O-CG 3.2Å; Y219-M223 PolarHBondContact O-N 2.69Å
220	E	48.5	Very low	40.6	Very low	109 Å²	109	89.8 Å²	89.8	51%	0.509	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-46.2	173.6	-67.3	-179.6	155.8	0	0	111.6	N218 L222 M223 E224	N218-E220 PolarHBondContact O-N 2.99Å; N218-E220 PolarHBondContact OD1-N 3.15Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 3.32Å; E220-M223 PolarHBondContact O-N 3.46Å; E220-M223 VanDerWaalsContact O-N 3.16Å; E220-E224 WeakPolarHBondContact O-CB 3.33Å; E220-E224 PolarHBondContact O-N 2.85Å
221	D	48.9	Very low	40.6	Very low	73 Å²	73	93.1 Å²	93.1	39%	0.39	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-37.7	176.7	-52.9	-6.8	0	0	0	111.4	V217 N218 M223 E224 L225	V217-D221 HydrophobicContact CG1-CB 3.83Å; N218-D221 HydrophobicContact CB-CB 4.27Å; N218-D221 WeakPolarHBondContact CB-OD2 3.42Å; N218-D221 WeakPolarHBondContact O-CB 3.42Å; N218-D221 PolarHBondContact O-N 2.65Å; D221-M223 VanDerWaalsContact C-N 3.33Å; D221-E224 PolarHBondContact O-N 2.74Å; D221-L225 WeakPolarHBondContact O-CB 3.46Å; D221-L225 WeakPolarHBondContact O-CG 3.25Å; D221-L225 PolarHBondContact O-N 3.46Å
222	L	46.9	Very low	40.8	Very low	27 Å²	27	90.9 Å²	90.9	14%	0.141	48%	0.481	C	S	.	.	H	α-helix	trans	-65.2	-37.6	174.8	-69.7	172.3	0	0	0	112	V217 N218 Y219 E220 H226 V232 L234	V217-L222 HydrophobicContact CB-CD1 4.29Å; V217-L222 HydrophobicContact CB-CD2 3.76Å; V217-L222 HydrophobicContact CB-CG 3.84Å; V217-L222 HydrophobicContact CG1-CD2 3.57Å; V217-L222 HydrophobicContact CG1-CG 3.57Å; V217-L222 HydrophobicContact CG2-CD2 4.32Å; N218-L222 PolarHBondContact O-N 2.85Å; Y219-L222 PolarHBondContact O-N 3.48Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 3.32Å; L222-H226 WeakPolarHBondContact O-CB 3.35Å; L222-H226 PolarHBondContact O-N 2.8Å; L222-V232 HydrophobicContact CD2-CG1 3.65Å; L222-L234 HydrophobicContact CD1-CD2 4.23Å
223	M	50.1	Low	40.7	Very low	80 Å²	80	93.5 Å²	93.5	39%	0.394	48%	0.484	S	S	.	.	H	α-helix	trans	-74.2	-36.9	177.2	-70.7	-63.7	97	0	0	112	Y219 E220 D221 H226 S227	Y219-M223 HydrophobicContact CD1-CG 3.87Å; Y219-M223 HydrophobicContact CE1-CG 3.41Å; Y219-M223 VanDerWaalsContact CE1-CG 3.41Å; Y219-M223 HydrophobicContact CE1-SD 4.13Å; Y219-M223 HydrophobicContact CE2-CE 4.24Å; Y219-M223 HydrophobicContact CE2-CG 4.32Å; Y219-M223 HydrophobicContact CE2-SD 4.41Å; Y219-M223 HydrophobicContact CG-CG 4.48Å; Y219-M223 WeakPolarHBondContact O-CB 3.43Å; Y219-M223 VanDerWaalsContact O-CG 3.24Å; Y219-M223 WeakPolarHBondContact O-CG 3.2Å; Y219-M223 PolarHBondContact O-N 2.69Å; E220-M223 PolarHBondContact O-N 3.46Å; E220-M223 VanDerWaalsContact O-N 3.16Å; D221-M223 VanDerWaalsContact C-N 3.33Å; M223-H226 PolarHBondContact O-N 2.74Å; M223-S227 WeakPolarHBondContact O-CB 3.47Å; M223-S227 PolarHBondContact O-N 2.8Å; M223-S227 PolarHBondContact O-OG 2.81Å
224	E	50.5	Low	40.9	Very low	109 Å²	109	95.9 Å²	95.9	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-59.9	-51.9	172	-170.7	168.9	-160.2	0	0	110	E220 D221 H226 S227 E228	E220-E224 WeakPolarHBondContact O-CB 3.33Å; E220-E224 PolarHBondContact O-N 2.85Å; D221-E224 PolarHBondContact O-N 2.74Å; E224-H226 VanDerWaalsContact C-N 3.33Å; E224-H226 PolarHBondContact O-N 3.3Å; E224-S227 WeakPolarHBondContact CA-OG 3.44Å; E224-S227 CarbonylContact O-C 3.57Å; E224-S227 PolarHBondContact O-N 2.77Å; E224-S227 PolarHBondContact O-OG 2.89Å; E224-E228 WeakPolarHBondContact O-CG 3.4Å; E224-E228 PolarHBondContact O-N 3.36Å
225	L	41.4	Very low	40.5	Very low	35 Å²	35	98.1 Å²	98.1	18%	0.183	51%	0.511	C	S	.	.	H	α-helix	trans	-57.1	-43.5	174.7	-71.7	169	0	0	0	112.3	L213 D221 S227 E228 G229 Y230 V232	L213-L225 HydrophobicContact CD1-CD1 4.22Å; D221-L225 WeakPolarHBondContact O-CB 3.46Å; D221-L225 WeakPolarHBondContact O-CG 3.25Å; D221-L225 PolarHBondContact O-N 3.46Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 2.84Å; L225-E228 PolarHBondContact O-N 3.49Å; L225-G229 PolarHBondContact O-N 2.81Å; L225-Y230 HydrophobicContact CB-CD2 4.35Å; L225-Y230 HydrophobicContact CD2-CD2 3.82Å; L225-Y230 HydrophobicContact CD2-CE2 4.09Å; L225-Y230 HydrophobicContact CD2-CG 4.25Å; L225-Y230 VanDerWaalsContact O-CB 3.26Å; L225-Y230 WeakPolarHBondContact O-CB 3.41Å; L225-Y230 VanDerWaalsContact O-CD2 3.31Å; L225-Y230 WeakPolarHBondContact O-CD2 3.36Å; L225-Y230 PolarHBondContact O-N 3.12Å; L225-V232 HydrophobicContact CB-CG2 3.88Å
226	H	43	Very low	40.2	Very low	118 Å²	118	99.4 Å²	99.4	55%	0.546	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.1	-178.1	-80.9	0	0	0	112	L222 M223 E224 E228 G229 V232	L222-H226 WeakPolarHBondContact O-CB 3.35Å; L222-H226 PolarHBondContact O-N 2.8Å; M223-H226 PolarHBondContact O-N 2.74Å; E224-H226 VanDerWaalsContact C-N 3.33Å; E224-H226 PolarHBondContact O-N 3.3Å; H226-E228 VanDerWaalsContact C-N 3.33Å; H226-G229 PolarHBondContact O-N 2.96Å; H226-G229 VanDerWaalsContact O-N 3.14Å; H226-V232 HydrophobicContact CB-CG2 4.47Å
227	S	52.7	Low	39.7	Very low	94 Å²	94	100.6 Å²	100.6	66%	0.657	52%	0.518	S	S	*	.	H	α-helix	trans	-69.6	-28.3	178	69.6	0	0	0	0	113.9	M223 E224 L225 G229	M223-S227 WeakPolarHBondContact O-CB 3.47Å; M223-S227 PolarHBondContact O-N 2.8Å; M223-S227 PolarHBondContact O-OG 2.81Å; E224-S227 WeakPolarHBondContact CA-OG 3.44Å; E224-S227 CarbonylContact O-C 3.57Å; E224-S227 PolarHBondContact O-N 2.77Å; E224-S227 PolarHBondContact O-OG 2.89Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 2.84Å; S227-G229 PolarHBondContact O-N 3.06Å
228	E	51.7	Low	39.2	Very low	119 Å²	119	104.7 Å²	104.7	56%	0.556	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	1.4	171.5	-71.5	-174.9	166.8	0	0	112.8	E224 L225 H226 Y230	E224-E228 WeakPolarHBondContact O-CG 3.4Å; E224-E228 PolarHBondContact O-N 3.36Å; L225-E228 PolarHBondContact O-N 3.49Å; H226-E228 VanDerWaalsContact C-N 3.33Å; E228-Y230 HydrophobicContact CB-CD2 3.75Å; E228-Y230 HydrophobicContact CB-CE2 3.8Å; E228-Y230 WeakPolarHBondContact OE2-CE2 3.38Å
229	G	35.1	Very low	39	Very low	67 Å²	67	106.2 Å²	106.2	69%	0.691	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.2	9.9	177.5	0	0	0	0	0	114.4	L225 H226 S227	L225-G229 PolarHBondContact O-N 2.81Å; H226-G229 PolarHBondContact O-N 2.96Å; H226-G229 VanDerWaalsContact O-N 3.14Å; S227-G229 PolarHBondContact O-N 3.06Å
230	Y	33.1	Very low	38.7	Very low	118 Å²	118	107.5 Å²	107.5	46%	0.463	59%	0.59	S	S	.	*			trans	-73.5	132.4	171.8	-64.4	-89.5	0	0	0	110.5	L225 E228 V232	L225-Y230 HydrophobicContact CB-CD2 4.35Å; L225-Y230 HydrophobicContact CD2-CD2 3.82Å; L225-Y230 HydrophobicContact CD2-CE2 4.09Å; L225-Y230 HydrophobicContact CD2-CG 4.25Å; L225-Y230 VanDerWaalsContact O-CB 3.26Å; L225-Y230 WeakPolarHBondContact O-CB 3.41Å; L225-Y230 VanDerWaalsContact O-CD2 3.31Å; L225-Y230 WeakPolarHBondContact O-CD2 3.36Å; L225-Y230 PolarHBondContact O-N 3.12Å; E228-Y230 HydrophobicContact CB-CD2 3.75Å; E228-Y230 HydrophobicContact CB-CE2 3.8Å; E228-Y230 WeakPolarHBondContact OE2-CE2 3.38Å; Y230-V232 PolarHBondContact O-N 2.76Å
231	N	32.2	Very low	38.2	Very low	143 Å²	143	107.4 Å²	107.4	77%	0.765	60%	0.595	S	S	*	*			trans	-78.1	90.9	173.7	-159.6	-33.2	0	0	0	109.4	R233	N231-R233 PolarHBondContact O-N 2.8Å
232	V	34.5	Very low	37.6	Very low	49 Å²	49	109.4 Å²	109.4	30%	0.297	61%	0.607	S	S	.	*			trans	-84.6	97	-179.6	-177.1	0	0	0	0	109.4	L222 L225 H226 Y230	L222-V232 HydrophobicContact CD2-CG1 3.65Å; L225-V232 HydrophobicContact CB-CG2 3.88Å; H226-V232 HydrophobicContact CB-CG2 4.47Å; Y230-V232 PolarHBondContact O-N 2.76Å
233	R	29.8	Very low	37	Very low	213 Å²	213	114.6 Å²	114.6	80%	0.804	64%	0.636	S	S	*	*			trans	-87.7	112.7	168.6	-86.9	-174.7	-176.3	170.6	2	110.3	N231 C235	N231-R233 PolarHBondContact O-N 2.8Å; R233-C235 PolarHBondContact O-N 3.19Å; R233-C235 VanDerWaalsContact O-N 3.15Å
234	L	32.7	Very low	36.1	Very low	133 Å²	133	116.9 Å²	116.9	70%	0.696	65%	0.652	S	S	*	*			trans	-75.1	96	162.5	-69.1	169.7	0	0	0	108.1	L222 L236	L222-L234 HydrophobicContact CD1-CD2 4.23Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 2.99Å; L234-L236 VanDerWaalsContact O-N 3.08Å
235	C	25.4	Very low	35.1	Very low	109 Å²	109	117.4 Å²	117.4	74%	0.736	66%	0.662	S	S	*	*			trans	-75.2	91	165.2	-86.3	0	0	0	0	108.6	R233 Q237	R233-C235 PolarHBondContact O-N 3.19Å; R233-C235 VanDerWaalsContact O-N 3.15Å; C235-Q237 PolarHBondContact O-N 3.23Å
236	L	27	Very low	34.6	Very low	147 Å²	147	123.8 Å²	123.8	77%	0.77	70%	0.699	S	S	*	*			trans	-72.3	96	157.1	-65.3	171.4	0	0	0	106.3	L234	L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 2.99Å; L234-L236 VanDerWaalsContact O-N 3.08Å
237	Q	26.1	Very low	33.9	Very low	173 Å²	173	124.3 Å²	124.3	81%	0.808	71%	0.712	S	S	*	*			trans	-84.3	116.9	170.9	-97.7	-173.9	-36.5	0	0	109.3	C235	C235-Q237 PolarHBondContact O-N 3.23Å
238	G	26.6	Very low	32.2	Very low	126 Å²	126	127 Å²	127	100%	1.299	72%	0.717	S	S	*	*			trans	53.2	0	150.6	0	0	0	0	0	117.8

Retrieved 238 of 238 residues in 170.3 ms (Link to these results)

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