A0A5K4FEC6_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 489 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	34.1	Very low	39.7	Very low	216 Å²	216	117.4 Å²	117.4	100%	1.064	60%	0.595	S	S	*	*				0	-69.3	0	-87.4	174.5	156.1	0	0	110.8	Q3	M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.94Å; M1-Q3 VanDerWaalsContact O-N 3.15Å
2	Y	33.7	Very low	39.7	Very low	131 Å²	131	110.5 Å²	110.5	51%	0.514	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	22	-175.8	-57.1	-76.1	0	0	0	117.4	N4 Y12 M87	Y2-N4 VanDerWaalsContact C-N 3.32Å; Y2-Y12 WeakPolarHBondContact O-CE1 3.49Å; Y2-Y12 PolarHBondContact O-OH 3.19Å; Y2-M87 HydrophobicContact CD2-SD 4.34Å
3	Q	38.6	Very low	40.1	Very low	163 Å²	163	105.8 Å²	105.8	76%	0.762	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-17.4	178	-141	171	-10.6	0	0	111.6	M1	M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.94Å; M1-Q3 VanDerWaalsContact O-N 3.15Å
4	N	46.8	Very low	40.2	Very low	142 Å²	142	110.7 Å²	110.7	76%	0.759	56%	0.556	S	S	*	*	S	Bend	trans	-96.5	-7.6	-173.5	-63.3	1.6	0	0	0	113.7	Y2 L6	Y2-N4 VanDerWaalsContact C-N 3.32Å; N4-L6 VanDerWaalsContact C-N 3.29Å; N4-L6 PolarHBondContact O-N 3.47Å
5	D	40.5	Very low	40.5	Very low	51 Å²	51	108.6 Å²	108.6	27%	0.273	56%	0.556	S	S	.	*	S	Bend	trans	-93.7	14.5	-178.4	-54.2	-43.9	0	0	0	113.3	Y12	D5-Y12 HydrophobicContact CB-CD1 3.93Å; D5-Y12 HydrophobicContact CB-CE1 4.05Å
6	L	37	Very low	40.7	Very low	65 Å²	65	103.4 Å²	103.4	34%	0.34	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-89.9	125.2	177.9	-66.2	176.5	0	0	0	108.6	N4 G10 Y12	N4-L6 VanDerWaalsContact C-N 3.29Å; N4-L6 PolarHBondContact O-N 3.47Å; L6-G10 WeakPolarHBondContact CD2-O 3.44Å; L6-Y12 HydrophobicContact CD2-CD1 3.96Å; L6-Y12 HydrophobicContact CD2-CD2 3.82Å; L6-Y12 HydrophobicContact CD2-CE1 3.64Å; L6-Y12 HydrophobicContact CD2-CE2 3.5Å; L6-Y12 VanDerWaalsContact CD2-CE2 3.5Å; L6-Y12 HydrophobicContact CD2-CG 4.05Å; L6-Y12 HydrophobicContact CG-CE1 4.15Å
7	N	44.7	Very low	40.3	Very low	73 Å²	73	102.6 Å²	102.6	39%	0.39	53%	0.527	S	S	.	.			trans	-65.8	175.1	169.4	68	17.3	0	0	0	110.9	N9 G10 K11	N7-N9 PolarHBondContact O-N 2.83Å; N7-N9 WeakPolarHBondContact OD1-CA 3.48Å; N7-N9 PolarHBondContact OD1-N 3.37Å; N7-G10 PolarHBondContact O-N 3.42Å; N7-G10 PolarHBondContact OD1-N 3.35Å; N7-K11 PolarHBondContact N-O 3.48Å; N7-K11 PolarHBondContact ND2-O 3.47Å; N7-K11 PolarHBondContact OD1-N 3.19Å; N7-K11 PolarHBondContact OD1-O 3.17Å
8	L	43.8	Very low	39.8	Very low	186 Å²	186	104.6 Å²	104.6	97%	0.974	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.3	179.7	-71.9	165.7	0	0	0	113.9
9	N	39.8	Very low	39.7	Very low	136 Å²	136	107.2 Å²	107.2	73%	0.727	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	9.8	178.2	-64.5	-20.3	0	0	0	113.6	N7 K11	N7-N9 PolarHBondContact O-N 2.83Å; N7-N9 WeakPolarHBondContact OD1-CA 3.48Å; N7-N9 PolarHBondContact OD1-N 3.37Å; N9-K11 VanDerWaalsContact C-N 3.33Å; N9-K11 PolarHBondContact O-N 3.44Å
10	G	41.2	Very low	39.5	Very low	31 Å²	31	110.5 Å²	110.5	32%	0.32	56%	0.556	S	S	.	*	S	Bend	trans	70.4	24.1	-178.8	0	0	0	0	0	114.3	L6 N7	L6-G10 WeakPolarHBondContact CD2-O 3.44Å; N7-G10 PolarHBondContact O-N 3.42Å; N7-G10 PolarHBondContact OD1-N 3.35Å
11	K	36.8	Very low	39	Very low	97 Å²	97	113 Å²	113	42%	0.422	57%	0.571	S	S	.	*			trans	-110	143.1	178.2	-63.1	-176.4	179.9	-179.7	0	111.7	N7 N9	N7-K11 PolarHBondContact N-O 3.48Å; N7-K11 PolarHBondContact ND2-O 3.47Å; N7-K11 PolarHBondContact OD1-N 3.19Å; N7-K11 PolarHBondContact OD1-O 3.17Å; N9-K11 VanDerWaalsContact C-N 3.33Å; N9-K11 PolarHBondContact O-N 3.44Å
12	Y	39.3	Very low	38.7	Very low	35 Å²	35	108.1 Å²	108.1	14%	0.137	55%	0.549	C	S	.	.	B	Isolated β-bridge	trans	-78.8	133.8	174.4	-66.7	-78.8	0	0	0	111.2	Y2 D5 L6 I37 N38	Y2-Y12 WeakPolarHBondContact O-CE1 3.49Å; Y2-Y12 PolarHBondContact O-OH 3.19Å; D5-Y12 HydrophobicContact CB-CD1 3.93Å; D5-Y12 HydrophobicContact CB-CE1 4.05Å; L6-Y12 HydrophobicContact CD2-CD1 3.96Å; L6-Y12 HydrophobicContact CD2-CD2 3.82Å; L6-Y12 HydrophobicContact CD2-CE1 3.64Å; L6-Y12 HydrophobicContact CD2-CE2 3.5Å; L6-Y12 VanDerWaalsContact CD2-CE2 3.5Å; L6-Y12 HydrophobicContact CD2-CG 4.05Å; L6-Y12 HydrophobicContact CG-CE1 4.15Å; Y12-I37 HydrophobicContact CD2-CG2 3.58Å; Y12-I37 HydrophobicContact CE2-CG2 3.68Å; Y12-N38 PolarHBondContact N-OD1 3.19Å
13	S	45.7	Very low	38.5	Very low	49 Å²	49	107.5 Å²	107.5	34%	0.343	56%	0.562	S	S	.	*			trans	-90.9	152	178.2	85.5	0	0	0	0	112.1	S15 S16	S13-S15 VanDerWaalsContact C-N 3.26Å; S13-S15 PolarHBondContact O-N 3.47Å; S13-S15 PolarHBondContact OG-N 3.07Å; S13-S16 PolarHBondContact N-OG 3.35Å; S13-S16 PolarHBondContact O-N 2.79Å; S13-S16 PolarHBondContact O-OG 3.18Å; S13-S16 PolarHBondContact OG-N 3.28Å; S13-S16 VanDerWaalsContact OG-N 3.14Å; S13-S16 PolarHBondContact OG-OG 3.01Å
14	K	41.5	Very low	38.1	Very low	175 Å²	175	107.3 Å²	107.3	76%	0.761	56%	0.563	S	S	*	*	H	α-helix	trans	-60.9	-36	172.8	-108.7	-178.5	177.4	-179.9	0	112.1	S16 M17	K14-S16 PolarHBondContact O-N 3.4Å; K14-M17 PolarHBondContact O-N 2.8Å
15	S	44.8	Very low	37.2	Very low	79 Å²	79	108.5 Å²	108.5	55%	0.552	56%	0.563	S	S	*	*	H	α-helix	trans	-64.6	-35.5	-179.5	-179.6	0	0	0	0	113	S13 M17 L18	S13-S15 VanDerWaalsContact C-N 3.26Å; S13-S15 PolarHBondContact O-N 3.47Å; S13-S15 PolarHBondContact OG-N 3.07Å; S15-M17 VanDerWaalsContact C-N 3.26Å; S15-M17 PolarHBondContact O-N 3.08Å; S15-L18 PolarHBondContact O-N 3.39Å
16	S	43.9	Very low	36.5	Very low	25 Å²	25	116.4 Å²	116.4	18%	0.175	60%	0.595	C	S	.	*	H	α-helix	trans	-69.4	-21.6	-177.7	37.6	0	0	0	0	113.5	S13 K14	S13-S16 PolarHBondContact N-OG 3.35Å; S13-S16 PolarHBondContact O-N 2.79Å; S13-S16 PolarHBondContact O-OG 3.18Å; S13-S16 PolarHBondContact OG-N 3.28Å; S13-S16 VanDerWaalsContact OG-N 3.14Å; S13-S16 PolarHBondContact OG-OG 3.01Å; K14-S16 PolarHBondContact O-N 3.4Å
17	M	32.4	Very low	36.1	Very low	91 Å²	91	118.4 Å²	118.4	45%	0.448	61%	0.61	S	S	.	*	H	α-helix	trans	-89.4	-23.5	177.8	-89.3	-174.7	157.2	0	0	114	K14 S15 M19 F32 I37	K14-M17 PolarHBondContact O-N 2.8Å; S15-M17 VanDerWaalsContact C-N 3.26Å; S15-M17 PolarHBondContact O-N 3.08Å; M17-M19 VanDerWaalsContact C-N 3.3Å; M17-M19 PolarHBondContact O-N 3.25Å; M17-F32 HydrophobicContact CE-CD1 4.28Å; M17-I37 HydrophobicContact CE-CD1 3.9Å
18	L	32.3	Very low	35.6	Very low	137 Å²	137	121 Å²	121	72%	0.717	63%	0.634	S	S	*	*	H	α-helix	trans	-76.9	-14.4	178	-76.6	166.2	0	0	0	113.6	S15 Y20	S15-L18 PolarHBondContact O-N 3.39Å; L18-Y20 PolarHBondContact O-N 2.91Å
19	M	36.8	Very low	35.1	Very low	154 Å²	154	117 Å²	117	76%	0.759	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-12.6	-178.6	-81.8	-78.4	174.7	0	0	114.2	M17	M17-M19 VanDerWaalsContact C-N 3.3Å; M17-M19 PolarHBondContact O-N 3.25Å
20	Y	36	Very low	34.8	Very low	173 Å²	173	115.4 Å²	115.4	68%	0.678	61%	0.613	S	S	*	*			trans	-101	81.8	176.5	-70.8	-81.8	0	0	0	110	L18 D22	L18-Y20 PolarHBondContact O-N 2.91Å; Y20-D22 PolarHBondContact O-N 2.91Å
21	N	29.4	Very low	34.5	Very low	163 Å²	163	116.4 Å²	116.4	87%	0.872	62%	0.615	S	S	*	*			trans	-71.9	45.1	166.3	-91.9	-14	0	0	0	111.8
22	D	28.6	Very low	34.4	Very low	114 Å²	114	116.3 Å²	116.3	61%	0.61	62%	0.615	S	S	*	*	S	Bend	trans	-85.6	133.7	158.1	-128.1	-19.7	0	0	0	105.7	Y20 M24	Y20-D22 PolarHBondContact O-N 2.91Å; D22-M24 PolarHBondContact O-N 3.17Å
23	P	29.7	Very low	34.4	Very low	119 Å²	119	117.3 Å²	117.3	77%	0.773	63%	0.627	S	S	*	*			trans	-73.5	67.4	-175.3	31.5	-32.4	0	0	0	109.6	H25	P23-H25 PolarHBondContact O-N 3.25Å; P23-H25 VanDerWaalsContact O-N 3.07Å
24	M	29.2	Very low	34.1	Very low	159 Å²	159	115.9 Å²	115.9	78%	0.783	62%	0.617	S	S	*	*			trans	-67.5	105	167.1	-78.1	-73.6	135.9	0	0	105.8	D22 K26	D22-M24 PolarHBondContact O-N 3.17Å; M24-K26 PolarHBondContact O-N 2.98Å
25	H	27.9	Very low	34.1	Very low	166 Å²	166	113.5 Å²	113.5	77%	0.769	61%	0.612	S	S	*	*			trans	-18	123.2	171.5	-79	-79.9	0	0	0	112.5	P23 T27	P23-H25 PolarHBondContact O-N 3.25Å; P23-H25 VanDerWaalsContact O-N 3.07Å; H25-T27 HydrophobicContact CB-CG2 4.1Å; H25-T27 PolarHBondContact O-N 3.47Å
26	K	25.7	Very low	33.8	Very low	218 Å²	218	114.2 Å²	114.2	95%	0.948	60%	0.604	S	S	*	*			trans	-51.9	78.6	164.7	-69.5	178.3	176.4	177.7	0	109.6	M24	M24-K26 PolarHBondContact O-N 2.98Å
27	T	30	Very low	33.6	Very low	106 Å²	106	115 Å²	115	65%	0.65	61%	0.605	S	S	*	*			trans	-93	107.6	169.4	61.7	0	0	0	0	105.4	H25 D29	H25-T27 HydrophobicContact CB-CG2 4.1Å; H25-T27 PolarHBondContact O-N 3.47Å; T27-D29 PolarHBondContact O-N 3.4Å
28	S	34.2	Very low	34.2	Very low	127 Å²	127	111.6 Å²	111.6	89%	0.888	59%	0.589	S	S	*	*			trans	-65.1	29.6	176.7	51.8	0	0	0	0	113.6	S30	S28-S30 PolarHBondContact O-N 3.21Å
29	D	32.5	Very low	34.7	Very low	104 Å²	104	111.1 Å²	111.1	56%	0.556	58%	0.583	S	S	*	*			trans	-91	98.8	-175.3	-156.5	-26.7	0	0	0	109	T27 S31	T27-D29 PolarHBondContact O-N 3.4Å; D29-S31 VanDerWaalsContact CG-OG 3.27Å; D29-S31 PolarHBondContact O-N 3.11Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-OG 3.03Å
30	S	33.3	Very low	34.9	Very low	102 Å²	102	106.3 Å²	106.3	71%	0.713	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-58.6	-7.8	-178	61.2	0	0	0	0	114.7	S28 F32 S33	S28-S30 PolarHBondContact O-N 3.21Å; S30-F32 PolarHBondContact O-N 2.84Å; S30-S33 PolarHBondContact O-N 2.92Å
31	S	34	Very low	35.3	Very low	52 Å²	52	99.7 Å²	99.7	36%	0.364	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-61.9	-6.9	175.7	57.5	0	0	0	0	114.8	D29 Y36	D29-S31 VanDerWaalsContact CG-OG 3.27Å; D29-S31 PolarHBondContact O-N 3.11Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-OG 3.03Å; S31-Y36 WeakPolarHBondContact O-CD1 3.22Å
32	F	35.4	Very low	35.9	Very low	95 Å²	95	95.9 Å²	95.9	42%	0.417	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-112	13.5	176.9	-106.5	-87.6	0	0	0	115.4	M17 S30 C34 I37	M17-F32 HydrophobicContact CE-CD1 4.28Å; S30-F32 PolarHBondContact O-N 2.84Å; F32-C34 PolarHBondContact O-N 3.33Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CE1-CD1 4.06Å
33	S	38.9	Very low	36.4	Very low	55 Å²	55	91.7 Å²	91.7	39%	0.385	50%	0.498	S	S	.	.			trans	-58.8	142.5	173.1	77	0	0	0	0	110.7	S30 N35 Y36 I37	S30-S33 PolarHBondContact O-N 2.92Å; S33-N35 PolarHBondContact O-N 3.03Å; S33-Y36 PolarHBondContact O-N 3.3Å; S33-Y36 PolarHBondContact OG-N 3.12Å; S33-I37 PolarHBondContact O-N 3.18Å
34	C	39.4	Very low	37	Very low	20 Å²	20	90.7 Å²	90.7	14%	0.135	48%	0.482	C	S	.	.	H	α-helix	trans	-51.8	-28.6	175.2	-59.7	0	0	0	0	111.9	F32 N38	F32-C34 PolarHBondContact O-N 3.33Å; C34-N38 VanDerWaalsContact O-CB 3.29Å; C34-N38 WeakPolarHBondContact O-CB 3.4Å; C34-N38 PolarHBondContact O-N 3.37Å; C34-N38 PolarHBondContact O-ND2 3.13Å; C34-N38 VanDerWaalsContact O-ND2 3.1Å
35	N	41.1	Very low	37.3	Very low	124 Å²	124	89.2 Å²	89.2	66%	0.663	48%	0.477	S	S	*	.	H	α-helix	trans	-60.7	-46.1	174.8	-68.8	-7.9	0	0	0	111.7	S33 N38 E39	S33-N35 PolarHBondContact O-N 3.03Å; N35-N38 PolarHBondContact O-N 3.43Å; N35-E39 WeakPolarHBondContact O-CG 3.46Å; N35-E39 PolarHBondContact O-N 2.77Å
36	Y	39.5	Very low	37.8	Very low	95 Å²	95	83.9 Å²	83.9	37%	0.373	45%	0.453	S	S	.	.	H	α-helix	trans	-66.1	-41.7	-179.6	-175.2	-106.9	0	0	0	112.8	S31 S33 E39 I40	S31-Y36 WeakPolarHBondContact O-CD1 3.22Å; S33-Y36 PolarHBondContact O-N 3.3Å; S33-Y36 PolarHBondContact OG-N 3.12Å; Y36-E39 PolarHBondContact O-N 3.17Å; Y36-I40 HydrophobicContact CD1-CD1 3.93Å; Y36-I40 HydrophobicContact CE1-CD1 3.41Å; Y36-I40 VanDerWaalsContact CE1-CD1 3.41Å; Y36-I40 HydrophobicContact CE1-CG1 4.42Å; Y36-I40 HydrophobicContact CE2-CD1 4.41Å; Y36-I40 WeakPolarHBondContact O-CG1 3.36Å; Y36-I40 PolarHBondContact O-N 3.17Å; Y36-I40 VanDerWaalsContact O-N 3.07Å
37	I	39.6	Very low	38.6	Very low	41 Å²	41	79.4 Å²	79.4	21%	0.21	45%	0.445	C	S	.	.	H	α-helix	trans	-66.5	-40.7	177.4	-65.1	171.9	0	0	0	110.8	Y12 M17 F32 S33 I40 S41	Y12-I37 HydrophobicContact CD2-CG2 3.58Å; Y12-I37 HydrophobicContact CE2-CG2 3.68Å; M17-I37 HydrophobicContact CE-CD1 3.9Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CE1-CD1 4.06Å; S33-I37 PolarHBondContact O-N 3.18Å; I37-I40 PolarHBondContact O-N 3.03Å; I37-S41 WeakPolarHBondContact O-CB 3.3Å; I37-S41 PolarHBondContact O-N 3.17Å
38	N	43.8	Very low	38.9	Very low	20 Å²	20	80 Å²	80	11%	0.107	44%	0.444	C	S	.	.	H	α-helix	trans	-67.4	-37.2	176	-72.8	-29.8	0	0	0	111.3	Y12 C34 N35 S41 N42	Y12-N38 PolarHBondContact N-OD1 3.19Å; C34-N38 VanDerWaalsContact O-CB 3.29Å; C34-N38 WeakPolarHBondContact O-CB 3.4Å; C34-N38 PolarHBondContact O-N 3.37Å; C34-N38 PolarHBondContact O-ND2 3.13Å; C34-N38 VanDerWaalsContact O-ND2 3.1Å; N35-N38 PolarHBondContact O-N 3.43Å; N38-S41 PolarHBondContact O-N 2.64Å; N38-N42 WeakPolarHBondContact O-CB 3.33Å; N38-N42 PolarHBondContact O-N 3.48Å; N38-N42 PolarHBondContact O-ND2 2.87Å
39	E	44.8	Very low	39.4	Very low	127 Å²	127	82 Å²	82	59%	0.593	45%	0.445	S	S	*	.	H	α-helix	trans	-59.8	-46.6	173	-83.7	-173.5	158.5	0	0	112.3	N35 Y36 S43	N35-E39 WeakPolarHBondContact O-CG 3.46Å; N35-E39 PolarHBondContact O-N 2.77Å; Y36-E39 PolarHBondContact O-N 3.17Å; E39-S43 PolarHBondContact O-N 2.85Å; E39-S43 PolarHBondContact O-OG 3.17Å
40	I	40.6	Very low	39.9	Very low	53 Å²	53	82.3 Å²	82.3	27%	0.272	45%	0.446	S	S	.	.	H	α-helix	trans	-62.2	-48	177.2	-68.7	177.1	0	0	0	109.9	Y36 I37 S43 F44	Y36-I40 HydrophobicContact CD1-CD1 3.93Å; Y36-I40 HydrophobicContact CE1-CD1 3.41Å; Y36-I40 VanDerWaalsContact CE1-CD1 3.41Å; Y36-I40 HydrophobicContact CE1-CG1 4.42Å; Y36-I40 HydrophobicContact CE2-CD1 4.41Å; Y36-I40 WeakPolarHBondContact O-CG1 3.36Å; Y36-I40 PolarHBondContact O-N 3.17Å; Y36-I40 VanDerWaalsContact O-N 3.07Å; I37-I40 PolarHBondContact O-N 3.03Å; I40-S43 WeakPolarHBondContact O-CB 3.42Å; I40-S43 PolarHBondContact O-N 3.31Å; I40-F44 HydrophobicContact CG2-CD2 4.22Å; I40-F44 HydrophobicContact CG2-CE2 3.58Å; I40-F44 WeakPolarHBondContact O-CD2 3.23Å; I40-F44 VanDerWaalsContact O-CE2 3.27Å; I40-F44 WeakPolarHBondContact O-CE2 3.36Å
41	S	43.9	Very low	40.4	Very low	33 Å²	33	81.5 Å²	81.5	23%	0.231	44%	0.441	C	S	.	.	H	α-helix	trans	-67.1	-38.6	-177.8	-155.7	0	0	0	0	112.6	I37 N38 S43 F44	I37-S41 WeakPolarHBondContact O-CB 3.3Å; I37-S41 PolarHBondContact O-N 3.17Å; N38-S41 PolarHBondContact O-N 2.64Å; S41-S43 VanDerWaalsContact C-N 3.29Å; S41-S43 PolarHBondContact O-N 3.49Å; S41-F44 PolarHBondContact O-N 2.81Å; S41-F44 VanDerWaalsContact O-N 3.1Å
42	N	42.4	Very low	40.8	Very low	83 Å²	83	83.2 Å²	83.2	44%	0.444	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-35.6	176.1	-72.5	-18.7	0	0	0	111.6	N38 F44 N45	N38-N42 WeakPolarHBondContact O-CB 3.33Å; N38-N42 PolarHBondContact O-N 3.48Å; N38-N42 PolarHBondContact O-ND2 2.87Å; N42-F44 PolarHBondContact O-N 3.29Å; N42-N45 PolarHBondContact O-N 3.15Å
43	S	39.7	Very low	41.2	Very low	26 Å²	26	83.2 Å²	83.2	18%	0.182	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.7	175	-52.4	0	0	0	0	113.3	E39 I40 S41 I46 I57	E39-S43 PolarHBondContact O-N 2.85Å; E39-S43 PolarHBondContact O-OG 3.17Å; I40-S43 WeakPolarHBondContact O-CB 3.42Å; I40-S43 PolarHBondContact O-N 3.31Å; S41-S43 VanDerWaalsContact C-N 3.29Å; S41-S43 PolarHBondContact O-N 3.49Å; S43-I46 WeakPolarHBondContact O-CG1 3.22Å; S43-I57 WeakPolarHBondContact O-CD1 3.49Å
44	F	40.3	Very low	41.4	Very low	98 Å²	98	83.4 Å²	83.4	43%	0.43	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-4	-176.6	-64.2	-61.8	0	0	0	115	I40 S41 N42 I46	I40-F44 HydrophobicContact CG2-CD2 4.22Å; I40-F44 HydrophobicContact CG2-CE2 3.58Å; I40-F44 WeakPolarHBondContact O-CD2 3.23Å; I40-F44 VanDerWaalsContact O-CE2 3.27Å; I40-F44 WeakPolarHBondContact O-CE2 3.36Å; S41-F44 PolarHBondContact O-N 2.81Å; S41-F44 VanDerWaalsContact O-N 3.1Å; N42-F44 PolarHBondContact O-N 3.29Å; F44-I46 PolarHBondContact O-N 3.36Å; F44-I46 VanDerWaalsContact O-N 3.08Å
45	N	36.8	Very low	41.6	Very low	129 Å²	129	86.8 Å²	86.8	69%	0.69	47%	0.467	S	S	*	.			trans	-84.5	62.6	169.5	-85.8	-17.8	0	0	0	109.7	N42 T47	N42-N45 PolarHBondContact O-N 3.15Å; N45-T47 PolarHBondContact O-N 3.46Å
46	I	37.9	Very low	41.9	Very low	53 Å²	53	83.5 Å²	83.5	27%	0.272	45%	0.454	S	S	.	.			trans	-85.5	102	-177.7	-54	174.9	0	0	0	109.3	S43 F44 D48 I57 Y95	S43-I46 WeakPolarHBondContact O-CG1 3.22Å; F44-I46 PolarHBondContact O-N 3.36Å; F44-I46 VanDerWaalsContact O-N 3.08Å; I46-D48 VanDerWaalsContact CG2-O 3.24Å; I46-D48 WeakPolarHBondContact CG2-O 2.79Å; I46-I57 HydrophobicContact CD1-CD1 3.7Å; I46-Y95 HydrophobicContact CD1-CE2 4.28Å
47	T	41.9	Very low	42.1	Very low	125 Å²	125	79.9 Å²	79.9	77%	0.767	44%	0.441	S	S	*	.			trans	-94.1	-18.7	159.9	37.5	0	0	0	0	112.1	N45	N45-T47 PolarHBondContact O-N 3.46Å
48	D	36.7	Very low	42.3	Very low	117 Å²	117	81.6 Å²	81.6	63%	0.626	45%	0.45	S	S	*	.			trans	-99.6	128	-174.5	-75.4	-25.8	0	0	0	114.4	I46 N50	I46-D48 VanDerWaalsContact CG2-O 3.24Å; I46-D48 WeakPolarHBondContact CG2-O 2.79Å; D48-N50 PolarHBondContact O-N 3.19Å; D48-N50 VanDerWaalsContact O-N 3.09Å
49	N	44.1	Very low	42.5	Very low	170 Å²	170	86.3 Å²	86.3	91%	0.909	48%	0.475	S	S	*	.			trans	-75	18.9	178.6	-76.5	-29.3	0	0	0	114.2	S51	N49-S51 PolarHBondContact O-N 3.26Å
50	N	43.3	Very low	42.6	Very low	110 Å²	110	85.1 Å²	85.1	59%	0.588	47%	0.468	S	S	*	.			trans	-74.7	114.5	-177.1	-86.5	-21	0	0	0	111.6	D48 S52 H53	D48-N50 PolarHBondContact O-N 3.19Å; D48-N50 VanDerWaalsContact O-N 3.09Å; N50-S52 VanDerWaalsContact C-N 3.26Å; N50-S52 PolarHBondContact O-N 2.81Å; N50-H53 PolarHBondContact O-N 3.29Å; N50-H53 VanDerWaalsContact O-N 3.16Å
51	S	44.4	Very low	42.7	Very low	86 Å²	86	85.3 Å²	85.3	60%	0.601	47%	0.469	S	S	*	.	H	α-helix	trans	-59.5	-29.9	-175.2	61.8	0	0	0	0	114.1	N49 H53 L54 N55	N49-S51 PolarHBondContact O-N 3.26Å; S51-H53 VanDerWaalsContact C-N 3.34Å; S51-H53 PolarHBondContact O-N 3.37Å; S51-L54 PolarHBondContact O-N 3.19Å; S51-N55 PolarHBondContact O-N 3.25Å
52	S	42.2	Very low	42.6	Very low	88 Å²	88	87.4 Å²	87.4	62%	0.615	48%	0.482	S	S	*	.	H	α-helix	trans	-64.8	-37	177.7	60.3	0	0	0	0	112.5	N50 S56	N50-S52 VanDerWaalsContact C-N 3.26Å; N50-S52 PolarHBondContact O-N 2.81Å; S52-S56 PolarHBondContact O-N 3.05Å
53	H	43.2	Very low	42.6	Very low	95 Å²	95	91.1 Å²	91.1	44%	0.44	49%	0.494	S	S	.	.	H	α-helix	trans	-71.7	-37.1	177.9	-154.4	73.5	0	0	0	111.2	N50 S51 S56 I57	N50-H53 PolarHBondContact O-N 3.29Å; N50-H53 VanDerWaalsContact O-N 3.16Å; S51-H53 VanDerWaalsContact C-N 3.34Å; S51-H53 PolarHBondContact O-N 3.37Å; H53-S56 PolarHBondContact O-N 3.44Å; H53-I57 WeakPolarHBondContact O-CG1 3.45Å; H53-I57 PolarHBondContact O-N 3.18Å; H53-I57 VanDerWaalsContact O-N 3.15Å
54	L	43.7	Very low	42.7	Very low	59 Å²	59	95.1 Å²	95.1	31%	0.309	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-44.7	174.9	-162.6	78.8	0	0	0	111.4	S51 I57 L58	S51-L54 PolarHBondContact O-N 3.19Å; L54-I57 PolarHBondContact O-N 3.18Å; L54-L58 HydrophobicContact CD2-CD1 4.45Å; L54-L58 HydrophobicContact CG-CD1 4.33Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.02Å
55	N	44.3	Very low	42.6	Very low	90 Å²	90	97.4 Å²	97.4	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-42.7	178.9	-72.7	-21.9	0	0	0	112.3	S51 I57 L58 D59	S51-N55 PolarHBondContact O-N 3.25Å; N55-I57 VanDerWaalsContact C-N 3.26Å; N55-I57 PolarHBondContact O-N 3.25Å; N55-L58 PolarHBondContact O-N 3.24Å; N55-L58 VanDerWaalsContact O-N 3.16Å; N55-D59 PolarHBondContact O-N 3.35Å
56	S	46.7	Very low	42.6	Very low	56 Å²	56	96.4 Å²	96.4	39%	0.392	52%	0.518	S	S	.	.	H	α-helix	trans	-58	-37.5	173.2	171.7	0	0	0	0	112.7	S52 H53 K60	S52-S56 PolarHBondContact O-N 3.05Å; H53-S56 PolarHBondContact O-N 3.44Å; S56-K60 WeakPolarHBondContact O-CG 3.34Å; S56-K60 PolarHBondContact O-N 2.61Å
57	I	43.5	Very low	42.5	Very low	18 Å²	18	101.4 Å²	101.4	9%	0.092	54%	0.54	C	S	.	.	H	α-helix	trans	-72.8	-42.7	176.1	-66.7	168.2	0	0	0	110.9	S43 I46 H53 L54 N55 D59 K60 I61	S43-I57 WeakPolarHBondContact O-CD1 3.49Å; I46-I57 HydrophobicContact CD1-CD1 3.7Å; H53-I57 WeakPolarHBondContact O-CG1 3.45Å; H53-I57 PolarHBondContact O-N 3.18Å; H53-I57 VanDerWaalsContact O-N 3.15Å; L54-I57 PolarHBondContact O-N 3.18Å; N55-I57 VanDerWaalsContact C-N 3.26Å; N55-I57 PolarHBondContact O-N 3.25Å; I57-D59 VanDerWaalsContact C-N 3.32Å; I57-D59 PolarHBondContact O-N 2.66Å; I57-K60 WeakPolarHBondContact O-CB 3.45Å; I57-K60 PolarHBondContact O-N 2.71Å; I57-K60 VanDerWaalsContact O-N 3.16Å; I57-I61 PolarHBondContact O-N 3.2Å
58	L	43.9	Very low	42	Very low	78 Å²	78	103 Å²	103	41%	0.408	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-37.8	177	-69.8	175.3	0	0	0	111.8	L54 N55 K60 I61 P62	L54-L58 HydrophobicContact CD2-CD1 4.45Å; L54-L58 HydrophobicContact CG-CD1 4.33Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.02Å; N55-L58 PolarHBondContact O-N 3.24Å; N55-L58 VanDerWaalsContact O-N 3.16Å; L58-K60 VanDerWaalsContact C-N 3.25Å; L58-K60 PolarHBondContact O-N 3.32Å; L58-I61 HydrophobicContact CD2-CD1 3.57Å; L58-I61 VanDerWaalsContact O-CB 3.24Å; L58-I61 WeakPolarHBondContact O-CB 3.39Å; L58-I61 PolarHBondContact O-N 2.98Å; L58-P62 WeakPolarHBondContact O-CD 3.34Å
59	D	48.7	Very low	41.8	Very low	118 Å²	118	104 Å²	104	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-69.1	-21.7	176.8	-74.9	-17.3	0	0	0	113.4	N55 I57 I61 P62	N55-D59 PolarHBondContact O-N 3.35Å; I57-D59 VanDerWaalsContact C-N 3.32Å; I57-D59 PolarHBondContact O-N 2.66Å; D59-I61 VanDerWaalsContact C-N 3.34Å; D59-P62 WeakPolarHBondContact O-CD 3.22Å
60	K	45.5	Very low	41.2	Very low	103 Å²	103	107.5 Å²	107.5	45%	0.448	54%	0.539	S	S	.	.	H	α-helix	trans	-78.4	-18.5	171.1	-68.2	175.2	-174.7	-176.8	0	112.4	S56 I57 L58 K63 H64	S56-K60 WeakPolarHBondContact O-CG 3.34Å; S56-K60 PolarHBondContact O-N 2.61Å; I57-K60 WeakPolarHBondContact O-CB 3.45Å; I57-K60 PolarHBondContact O-N 2.71Å; I57-K60 VanDerWaalsContact O-N 3.16Å; L58-K60 VanDerWaalsContact C-N 3.25Å; L58-K60 PolarHBondContact O-N 3.32Å; K60-K63 PolarHBondContact O-N 3.32Å; K60-H64 PolarHBondContact O-CD2 3.41Å; K60-H64 PolarHBondContact O-N 2.67Å
61	I	43.8	Very low	40.7	Very low	56 Å²	56	108.3 Å²	108.3	29%	0.287	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-45.5	-179.2	-61.4	177.7	0	0	0	112.3	I57 L58 D59 K63 H64 K65 Y92	I57-I61 PolarHBondContact O-N 3.2Å; L58-I61 HydrophobicContact CD2-CD1 3.57Å; L58-I61 VanDerWaalsContact O-CB 3.24Å; L58-I61 WeakPolarHBondContact O-CB 3.39Å; L58-I61 PolarHBondContact O-N 2.98Å; D59-I61 VanDerWaalsContact C-N 3.34Å; I61-K63 VanDerWaalsContact C-N 3.29Å; I61-K63 PolarHBondContact O-N 3.21Å; I61-H64 PolarHBondContact O-N 3.22Å; I61-K65 PolarHBondContact O-N 3.01Å; I61-K65 VanDerWaalsContact O-N 3.17Å; I61-Y92 HydrophobicContact CD1-CE2 4.48Å
62	P	41.6	Very low	40.1	Very low	77 Å²	77	111.3 Å²	111.3	50%	0.5	55%	0.552	S	S	.	*	H	α-helix	trans	-57.7	-37.7	172.7	-25.6	32.3	0	0	0	113.5	L58 D59 H64 K65	L58-P62 WeakPolarHBondContact O-CD 3.34Å; D59-P62 WeakPolarHBondContact O-CD 3.22Å; P62-H64 PolarHBondContact O-N 3.16Å; P62-K65 WeakPolarHBondContact O-CA 3.15Å; P62-K65 WeakPolarHBondContact O-CB 3.44Å; P62-K65 PolarHBondContact O-N 2.74Å
63	K	43	Very low	39.9	Very low	162 Å²	162	114.8 Å²	114.8	70%	0.704	56%	0.564	S	S	*	*	H	α-helix	trans	-64	-28.7	179.1	-69.4	-173.6	177.6	-178.8	0	112.8	K60 I61 T66	K60-K63 PolarHBondContact O-N 3.32Å; I61-K63 VanDerWaalsContact C-N 3.29Å; I61-K63 PolarHBondContact O-N 3.21Å; K63-T66 PolarHBondContact O-OG1 2.84Å
64	H	41.7	Very low	39.4	Very low	110 Å²	110	117.9 Å²	117.9	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-87.2	-12.7	172.4	-69.1	-62.6	0	0	0	113.6	K60 I61 P62 T66 H67	K60-H64 PolarHBondContact O-CD2 3.41Å; K60-H64 PolarHBondContact O-N 2.67Å; I61-H64 PolarHBondContact O-N 3.22Å; P62-H64 PolarHBondContact O-N 3.16Å; H64-T66 VanDerWaalsContact C-N 3.31Å; H64-T66 PolarHBondContact O-N 3.5Å; H64-H67 PolarHBondContact O-N 2.8Å
65	K	36.9	Very low	38.8	Very low	145 Å²	145	119 Å²	119	63%	0.63	60%	0.597	S	S	*	*	H	α-helix	trans	-74	-19.7	179	-141.4	177.6	-171.7	178.5	0	112.6	I61 P62 H67 Y68	I61-K65 PolarHBondContact O-N 3.01Å; I61-K65 VanDerWaalsContact O-N 3.17Å; P62-K65 WeakPolarHBondContact O-CA 3.15Å; P62-K65 WeakPolarHBondContact O-CB 3.44Å; P62-K65 PolarHBondContact O-N 2.74Å; K65-H67 PolarHBondContact O-N 3.28Å; K65-Y68 WeakPolarHBondContact O-CA 3.39Å; K65-Y68 VanDerWaalsContact O-CB 3.27Å; K65-Y68 WeakPolarHBondContact O-CB 3.42Å; K65-Y68 PolarHBondContact O-N 2.88Å
66	T	37.9	Very low	38.2	Very low	108 Å²	108	123.7 Å²	123.7	66%	0.663	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-16	172.8	47.5	0	0	0	0	113.1	K63 H64 Y68	K63-T66 PolarHBondContact O-OG1 2.84Å; H64-T66 VanDerWaalsContact C-N 3.31Å; H64-T66 PolarHBondContact O-N 3.5Å; T66-Y68 VanDerWaalsContact C-N 3.31Å
67	H	35.5	Very low	37.4	Very low	159 Å²	159	129.2 Å²	129.2	74%	0.736	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-4.4	169.3	-70.7	4.4	0	0	0	113.8	H64 K65 N69	H64-H67 PolarHBondContact O-N 2.8Å; K65-H67 PolarHBondContact O-N 3.28Å; H67-N69 PolarHBondContact O-N 3.41Å
68	Y	31.6	Very low	36.9	Very low	159 Å²	159	132.8 Å²	132.8	62%	0.624	64%	0.638	S	S	*	*	S	Bend	trans	-88.7	85.4	166.2	-102.8	-96.7	0	0	0	108.3	K65 T66 R70 L78	K65-Y68 WeakPolarHBondContact O-CA 3.39Å; K65-Y68 VanDerWaalsContact O-CB 3.27Å; K65-Y68 WeakPolarHBondContact O-CB 3.42Å; K65-Y68 PolarHBondContact O-N 2.88Å; T66-Y68 VanDerWaalsContact C-N 3.31Å; Y68-R70 PolarHBondContact O-N 3.29Å; Y68-L78 HydrophobicContact CE2-CD2 4.44Å
69	N	31.8	Very low	36.4	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	65%	0.648	S	S	*	*			trans	-61.5	124.1	-178.4	-149	-8.9	0	0	0	110	H67 N71	H67-N69 PolarHBondContact O-N 3.41Å; N69-N71 PolarHBondContact O-N 2.95Å
70	R	30.7	Very low	35.8	Very low	243 Å²	243	130.3 Å²	130.3	92%	0.917	63%	0.633	S	S	*	*			trans	-85.6	21.8	-168.6	-132	-179.5	-168	173.5	0.8	113	Y68	Y68-R70 PolarHBondContact O-N 3.29Å
71	N	33.2	Very low	35.4	Very low	127 Å²	127	137.3 Å²	137.3	68%	0.679	66%	0.656	S	S	*	*			trans	-98.3	129.6	-170.7	-77	-2.3	0	0	0	112.8	N69	N69-N71 PolarHBondContact O-N 2.95Å
72	N	33.1	Very low	35.1	Very low	150 Å²	150	138.2 Å²	138.2	80%	0.802	66%	0.661	S	S	*	*			trans	77	102.9	169.7	-66.6	-8.4	0	0	0	116.9	N74	N72-N74 PolarHBondContact O-N 3.21Å
73	N	36.5	Very low	35	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	67%	0.669	S	S	*	*	S	Bend	trans	-32	131.6	152.8	-69.2	-27.1	0	0	0	110.4
74	N	33.2	Very low	34.8	Very low	159 Å²	159	138.6 Å²	138.6	85%	0.85	66%	0.662	S	S	*	*	S	Bend	trans	79.2	53.3	178	-53.7	-19.6	0	0	0	116.9	N72	N72-N74 PolarHBondContact O-N 3.21Å
75	S	31.9	Very low	34.7	Very low	83 Å²	83	136 Å²	136	58%	0.58	65%	0.654	S	S	*	*				164.8	115.8	126.8	-80.2	0	0	0	0	111	R77	S75-R77 VanDerWaalsContact C-N 3.29Å; S75-R77 PolarHBondContact O-N 2.92Å
76	R	30.7	Very low	35	Very low	188 Å²	188	135.2 Å²	135.2	71%	0.709	65%	0.65	S	S	*	*			trans	-70.1	80.8	172.6	-67.1	174.9	175.3	149.5	-5.4	110	I120	R76-I120 VanDerWaalsContact CZ-CD1 3.46Å
77	R	30.2	Very low	35.1	Very low	173 Å²	173	133.7 Å²	133.7	65%	0.653	64%	0.637	S	S	*	*			trans	-102.6	122.4	177.2	-165.1	175.3	179.7	-177.9	5.5	108.6	S75 T79	S75-R77 VanDerWaalsContact C-N 3.29Å; S75-R77 PolarHBondContact O-N 2.92Å; R77-T79 HydrophobicContact CB-CG2 3.87Å; R77-T79 HydrophobicContact CG-CG2 3.46Å; R77-T79 VanDerWaalsContact CG-CG2 3.46Å; R77-T79 PolarHBondContact O-N 2.99Å
78	L	33.5	Very low	35.5	Very low	92 Å²	92	131.1 Å²	131.1	48%	0.482	63%	0.628	S	S	.	*			trans	-70.1	78.6	161	-86	159.9	0	0	0	107.4	Y68 C80	Y68-L78 HydrophobicContact CE2-CD2 4.44Å; L78-C80 PolarHBondContact O-N 3.13Å
79	T	32.3	Very low	36.1	Very low	98 Å²	98	125.3 Å²	125.3	60%	0.601	61%	0.613	S	S	*	*			trans	-78.3	43.8	174.1	47.4	0	0	0	0	111.2	R77 R81	R77-T79 HydrophobicContact CB-CG2 3.87Å; R77-T79 HydrophobicContact CG-CG2 3.46Å; R77-T79 VanDerWaalsContact CG-CG2 3.46Å; R77-T79 PolarHBondContact O-N 2.99Å; T79-R81 PolarHBondContact O-N 3.05Å
80	C	37.2	Very low	36.7	Very low	47 Å²	47	124.6 Å²	124.6	32%	0.318	61%	0.606	S	S	.	*			trans	-83	89.8	175.8	-56.7	0	0	0	0	108.8	L78 N82 T85	L78-C80 PolarHBondContact O-N 3.13Å; C80-N82 PolarHBondContact O-N 3.43Å; C80-T85 HydrophobicContact CB-CG2 4.12Å; C80-T85 WeakPolarHBondContact SG-CG2 3.2Å
81	R	37	Very low	37.3	Very low	250 Å²	250	118.1 Å²	118.1	94%	0.943	59%	0.585	S	S	*	*			trans	-59.9	-21.1	169.5	-74.5	-176.3	177.6	172.9	-0.8	112	T79 P83	T79-R81 PolarHBondContact O-N 3.05Å; R81-P83 WeakPolarHBondContact O-CD 3.26Å
82	N	37.7	Very low	37.8	Very low	74 Å²	74	117.3 Å²	117.3	40%	0.396	57%	0.573	S	S	.	*	S	Bend	trans	-84.7	119.2	-178.2	-167.5	-27.3	0	0	0	111.5	C80 R84 T85	C80-N82 PolarHBondContact O-N 3.43Å; N82-R84 PolarHBondContact O-N 3.34Å; N82-R84 VanDerWaalsContact OD1-CB 3.23Å; N82-R84 WeakPolarHBondContact OD1-CB 3.48Å; N82-R84 WeakPolarHBondContact OD1-CG 3.29Å; N82-R84 PolarHBondContact OD1-N 3.25Å; N82-T85 PolarHBondContact O-N 3.12Å; N82-T85 VanDerWaalsContact O-N 3.15Å
83	P	39.5	Very low	38.5	Very low	102 Å²	102	116.3 Å²	116.3	66%	0.662	56%	0.562	S	S	*	*	H	α-helix	trans	-50.9	-30.1	174	-26.6	34.6	0	0	0	113.9	R81 K86 M87	R81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-K86 PolarHBondContact O-N 3.41Å; P83-M87 PolarHBondContact O-N 3.04Å; P83-M87 VanDerWaalsContact O-N 3.08Å
84	R	38.7	Very low	38.9	Very low	145 Å²	145	113.8 Å²	113.8	55%	0.547	55%	0.548	S	S	.	.	H	α-helix	trans	-56.3	-49.2	176.7	-76.3	180	168.4	159.5	-3.7	112.8	N82 M87 L88	N82-R84 PolarHBondContact O-N 3.34Å; N82-R84 VanDerWaalsContact OD1-CB 3.23Å; N82-R84 WeakPolarHBondContact OD1-CB 3.48Å; N82-R84 WeakPolarHBondContact OD1-CG 3.29Å; N82-R84 PolarHBondContact OD1-N 3.25Å; R84-M87 PolarHBondContact O-N 3.26Å; R84-L88 PolarHBondContact O-N 2.85Å
85	T	40.1	Very low	39.4	Very low	55 Å²	55	108.5 Å²	108.5	34%	0.337	52%	0.517	S	S	.	.	H	α-helix	trans	-73	-33.1	-176.6	-35.3	0	0	0	0	111.2	C80 N82 L88 A89	C80-T85 HydrophobicContact CB-CG2 4.12Å; C80-T85 WeakPolarHBondContact SG-CG2 3.2Å; N82-T85 PolarHBondContact O-N 3.12Å; N82-T85 VanDerWaalsContact O-N 3.15Å; T85-L88 PolarHBondContact O-N 3.32Å; T85-A89 WeakPolarHBondContact O-CB 3.23Å; T85-A89 PolarHBondContact O-N 2.82Å
86	K	41.6	Very low	40	Very low	130 Å²	130	107.6 Å²	107.6	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-63.9	-41.1	176.2	-163.5	172.9	-175.3	175.8	0	111.6	P83 A89 M90	P83-K86 PolarHBondContact O-N 3.41Å; K86-A89 PolarHBondContact O-N 3.08Å; K86-M90 WeakPolarHBondContact O-CG 3.27Å; K86-M90 PolarHBondContact O-N 3.24Å
87	M	42	Very low	40.7	Very low	76 Å²	76	105.4 Å²	105.4	37%	0.374	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-45.2	176.7	-173.3	-175.4	66.1	0	0	112.3	Y2 P83 R84 A89 M90 K91	Y2-M87 HydrophobicContact CD2-SD 4.34Å; P83-M87 PolarHBondContact O-N 3.04Å; P83-M87 VanDerWaalsContact O-N 3.08Å; R84-M87 PolarHBondContact O-N 3.26Å; M87-A89 VanDerWaalsContact C-N 3.33Å; M87-A89 PolarHBondContact O-N 3.34Å; M87-M90 PolarHBondContact O-N 2.97Å; M87-K91 PolarHBondContact O-N 3.25Å
88	L	42.2	Very low	41.3	Very low	104 Å²	104	104.2 Å²	104.2	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-58.8	-44.4	175.5	-87.8	156.1	0	0	0	111.4	R84 T85 M90 K91 Y92	R84-L88 PolarHBondContact O-N 2.85Å; T85-L88 PolarHBondContact O-N 3.32Å; L88-M90 PolarHBondContact O-N 3.4Å; L88-K91 PolarHBondContact O-N 3.15Å; L88-Y92 WeakPolarHBondContact O-CB 3.43Å; L88-Y92 PolarHBondContact O-N 3.13Å
89	A	44.6	Very low	41.7	Very low	38 Å²	38	101.4 Å²	101.4	31%	0.314	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-40.4	175.9	0	0	0	0	0	112.8	T85 K86 M87 Y92 K93	T85-A89 WeakPolarHBondContact O-CB 3.23Å; T85-A89 PolarHBondContact O-N 2.82Å; K86-A89 PolarHBondContact O-N 3.08Å; M87-A89 VanDerWaalsContact C-N 3.33Å; M87-A89 PolarHBondContact O-N 3.34Å; A89-Y92 PolarHBondContact O-N 2.97Å; A89-K93 WeakPolarHBondContact O-CB 3.37Å; A89-K93 PolarHBondContact O-N 3.18Å
90	M	43.8	Very low	42.2	Very low	121 Å²	121	102.7 Å²	102.7	60%	0.596	48%	0.48	S	S	*	.	H	α-helix	trans	-66.9	-42	176.5	-74	175.1	91.9	0	0	112.5	K86 M87 L88 K93 N94	K86-M90 WeakPolarHBondContact O-CG 3.27Å; K86-M90 PolarHBondContact O-N 3.24Å; M87-M90 PolarHBondContact O-N 2.97Å; L88-M90 PolarHBondContact O-N 3.4Å; M90-K93 PolarHBondContact O-N 3Å; M90-N94 PolarHBondContact O-N 2.97Å
91	K	43.8	Very low	42.6	Very low	108 Å²	108	107 Å²	107	47%	0.47	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175.4	-74.7	-170.7	176	-172.3	0	111.1	M87 L88 N94 Y95	M87-K91 PolarHBondContact O-N 3.25Å; L88-K91 PolarHBondContact O-N 3.15Å; K91-N94 PolarHBondContact O-N 3.38Å; K91-Y95 PolarHBondContact O-N 3.41Å
92	Y	44.7	Very low	42.8	Very low	109 Å²	109	103.3 Å²	103.3	43%	0.427	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-43.3	174.5	-176.1	-108.2	0	0	0	112.5	I61 L88 A89 N94 Y95 L96	I61-Y92 HydrophobicContact CD1-CE2 4.48Å; L88-Y92 WeakPolarHBondContact O-CB 3.43Å; L88-Y92 PolarHBondContact O-N 3.13Å; A89-Y92 PolarHBondContact O-N 2.97Å; Y92-N94 PolarHBondContact O-N 3.44Å; Y92-Y95 WeakPolarHBondContact O-CB 3.36Å; Y92-Y95 PolarHBondContact O-N 3.32Å; Y92-L96 HydrophobicContact CD1-CD1 3.95Å; Y92-L96 HydrophobicContact CD1-CG 4.4Å; Y92-L96 HydrophobicContact CE1-CD1 3.44Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.44Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 HydrophobicContact CE2-CD2 4.5Å; Y92-L96 HydrophobicContact CE2-CG 4.48Å; Y92-L96 PolarHBondContact O-N 3.29Å
93	K	46.8	Very low	42.7	Very low	130 Å²	130	100.8 Å²	100.8	57%	0.565	47%	0.474	S	S	*	.	H	α-helix	trans	-59.4	-44.6	175.8	-174.4	178.5	-179.6	177.2	0	112.4	A89 M90 Y95 L96 Y97	A89-K93 WeakPolarHBondContact O-CB 3.37Å; A89-K93 PolarHBondContact O-N 3.18Å; M90-K93 PolarHBondContact O-N 3Å; K93-Y95 VanDerWaalsContact C-N 3.34Å; K93-L96 PolarHBondContact O-N 3.25Å; K93-Y97 PolarHBondContact O-N 3.37Å; K93-Y97 VanDerWaalsContact O-N 3.12Å
94	N	45.5	Very low	42.8	Very low	108 Å²	108	105.8 Å²	105.8	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-66.2	-35.7	177.3	-81	-12.2	0	0	0	112.3	M90 K91 Y92 Y97 K98	M90-N94 PolarHBondContact O-N 2.97Å; K91-N94 PolarHBondContact O-N 3.38Å; Y92-N94 PolarHBondContact O-N 3.44Å; N94-Y97 PolarHBondContact O-N 2.98Å; N94-K98 WeakPolarHBondContact O-CG 3.49Å; N94-K98 PolarHBondContact O-N 3.29Å
95	Y	43.9	Very low	42.9	Very low	47 Å²	47	102 Å²	102	18%	0.184	48%	0.481	C	S	.	.	H	α-helix	trans	-65.1	-48.4	174.9	176.5	-108.4	0	0	0	112.2	I46 K91 Y92 K93 Y97 K98 I99	I46-Y95 HydrophobicContact CD1-CE2 4.28Å; K91-Y95 PolarHBondContact O-N 3.41Å; Y92-Y95 WeakPolarHBondContact O-CB 3.36Å; Y92-Y95 PolarHBondContact O-N 3.32Å; K93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-Y97 PolarHBondContact O-N 3.39Å; Y95-K98 PolarHBondContact O-N 2.61Å; Y95-I99 HydrophobicContact CD1-CD1 3.79Å; Y95-I99 HydrophobicContact CE1-CD1 3.18Å; Y95-I99 HydrophobicContact CE1-CG1 4.13Å; Y95-I99 HydrophobicContact CE2-CD1 4.08Å; Y95-I99 HydrophobicContact CE2-CG1 4.19Å; Y95-I99 HydrophobicContact CG-CD1 4.46Å; Y95-I99 PolarHBondContact O-N 3.1Å
96	L	44.5	Very low	42.9	Very low	65 Å²	65	106 Å²	106	34%	0.34	50%	0.501	S	S	.	.	H	α-helix	trans	-57.1	-38.1	175.3	-71.3	-179	0	0	0	112	Y92 K93 K100	Y92-L96 HydrophobicContact CD1-CD1 3.95Å; Y92-L96 HydrophobicContact CD1-CG 4.4Å; Y92-L96 HydrophobicContact CE1-CD1 3.44Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.44Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 HydrophobicContact CE2-CD2 4.5Å; Y92-L96 HydrophobicContact CE2-CG 4.48Å; Y92-L96 PolarHBondContact O-N 3.29Å; K93-L96 PolarHBondContact O-N 3.25Å; L96-K100 WeakPolarHBondContact O-CB 3.38Å; L96-K100 PolarHBondContact O-N 2.93Å; L96-K100 VanDerWaalsContact O-N 3.08Å
97	Y	45.7	Very low	42.8	Very low	142 Å²	142	107 Å²	107	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-41.1	175.5	-168.2	-98	0	0	0	112.6	K93 N94 Y95 K100 Q101	K93-Y97 PolarHBondContact O-N 3.37Å; K93-Y97 VanDerWaalsContact O-N 3.12Å; N94-Y97 PolarHBondContact O-N 2.98Å; Y95-Y97 PolarHBondContact O-N 3.39Å; Y97-K100 PolarHBondContact O-N 3.05Å; Y97-Q101 HydrophobicContact CD1-CG 4.33Å; Y97-Q101 HydrophobicContact CE1-CG 4.12Å; Y97-Q101 WeakPolarHBondContact O-CG 3.43Å; Y97-Q101 PolarHBondContact O-N 3.16Å; Y97-Q101 VanDerWaalsContact O-N 3.15Å
98	K	42.9	Very low	42.5	Very low	147 Å²	147	106.1 Å²	106.1	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-39.4	176.1	-77.5	-176.7	178.3	-175.5	0	112.7	N94 Y95 Q101 K102	N94-K98 WeakPolarHBondContact O-CG 3.49Å; N94-K98 PolarHBondContact O-N 3.29Å; Y95-K98 PolarHBondContact O-N 2.61Å; K98-Q101 PolarHBondContact O-N 3.49Å; K98-K102 PolarHBondContact O-N 3.31Å
99	I	41.8	Very low	42.2	Very low	34 Å²	34	103.8 Å²	103.8	17%	0.174	49%	0.49	C	S	.	.	H	α-helix	trans	-59.1	-51.4	172.5	-70.7	174.2	0	0	0	109.5	Y95 Q101 K102 S103 L108	Y95-I99 HydrophobicContact CD1-CD1 3.79Å; Y95-I99 HydrophobicContact CE1-CD1 3.18Å; Y95-I99 HydrophobicContact CE1-CG1 4.13Å; Y95-I99 HydrophobicContact CE2-CD1 4.08Å; Y95-I99 HydrophobicContact CE2-CG1 4.19Å; Y95-I99 HydrophobicContact CG-CD1 4.46Å; Y95-I99 PolarHBondContact O-N 3.1Å; I99-Q101 PolarHBondContact O-N 2.94Å; I99-Q101 VanDerWaalsContact O-N 3.15Å; I99-K102 PolarHBondContact O-N 3.22Å; I99-S103 PolarHBondContact O-N 3.37Å; I99-S103 PolarHBondContact O-OG 2.93Å; I99-L108 HydrophobicContact CG2-CD2 3.47Å; I99-L108 VanDerWaalsContact CG2-CD2 3.47Å
100	K	43.1	Very low	41.9	Very low	125 Å²	125	105.9 Å²	105.9	54%	0.543	50%	0.502	S	S	.	.	H	α-helix	trans	-58.2	-31.1	-177.4	-163	176	-175.6	176.7	0	113.2	L96 Y97	L96-K100 WeakPolarHBondContact O-CB 3.38Å; L96-K100 PolarHBondContact O-N 2.93Å; L96-K100 VanDerWaalsContact O-N 3.08Å; Y97-K100 PolarHBondContact O-N 3.05Å
101	Q	44.2	Very low	41.7	Very low	137 Å²	137	110 Å²	110	64%	0.64	51%	0.511	S	S	*	.	H	α-helix	trans	-75	-31.6	175.6	-71.4	-100.6	35.8	0	0	113.2	Y97 K98 I99	Y97-Q101 HydrophobicContact CD1-CG 4.33Å; Y97-Q101 HydrophobicContact CE1-CG 4.12Å; Y97-Q101 WeakPolarHBondContact O-CG 3.43Å; Y97-Q101 PolarHBondContact O-N 3.16Å; Y97-Q101 VanDerWaalsContact O-N 3.15Å; K98-Q101 PolarHBondContact O-N 3.49Å; I99-Q101 PolarHBondContact O-N 2.94Å; I99-Q101 VanDerWaalsContact O-N 3.15Å
102	K	40.9	Very low	41.5	Very low	172 Å²	172	108.6 Å²	108.6	75%	0.748	51%	0.508	S	S	*	.	H	α-helix	trans	-92.8	-27.3	-176.3	-80.1	-172.2	172.5	-172.4	0	113.7	K98 I99 K104	K98-K102 PolarHBondContact O-N 3.31Å; I99-K102 PolarHBondContact O-N 3.22Å; K102-K104 PolarHBondContact O-N 2.77Å; K102-K104 VanDerWaalsContact O-N 3.1Å
103	S	36.3	Very low	41	Very low	21 Å²	21	107.2 Å²	107.2	15%	0.147	51%	0.508	C	S	.	.			trans	-81	90.6	-174.2	56.7	0	0	0	0	112.4	I99 S105	I99-S103 PolarHBondContact O-N 3.37Å; I99-S103 PolarHBondContact O-OG 2.93Å; S103-S105 PolarHBondContact O-N 2.99Å
104	K	42.5	Very low	40.5	Very low	208 Å²	208	102.8 Å²	102.8	90%	0.904	50%	0.5	S	S	*	.			trans	-76.6	3.9	160.1	-80.7	-174.5	177	-180	0	113.4	K102	K102-K104 PolarHBondContact O-N 2.77Å; K102-K104 VanDerWaalsContact O-N 3.1Å
105	S	40.1	Very low	40	Very low	66 Å²	66	104.5 Å²	104.5	46%	0.462	51%	0.509	S	S	.	.			trans	-89.3	122	179.5	169	0	0	0	0	111.5	S103 E107	S103-S105 PolarHBondContact O-N 2.99Å; S105-E107 PolarHBondContact O-N 3.46Å
106	N	40.5	Very low	39.7	Very low	138 Å²	138	106 Å²	106	74%	0.738	53%	0.527	S	S	*	.	H	α-helix	trans	-62.7	-24.1	-177.3	-75	-22.2	0	0	0	113.9	H109 S110	N106-H109 PolarHBondContact O-N 3.19Å; N106-S110 PolarHBondContact O-N 2.94Å
107	E	39.2	Very low	39	Very low	150 Å²	150	107.1 Å²	107.1	70%	0.701	53%	0.533	S	S	*	.	H	α-helix	trans	-75.2	-34.2	-175	-162.5	179.2	177.8	0	0	112.9	S105 S110	S105-E107 PolarHBondContact O-N 3.46Å; E107-S110 PolarHBondContact O-OG 3.47Å; E107-S110 VanDerWaalsContact O-OG 3.06Å
108	L	36.3	Very low	38.2	Very low	59 Å²	59	104.2 Å²	104.2	31%	0.309	53%	0.526	S	S	.	.	H	α-helix	trans	-75.5	-31.2	174.2	-159.2	75.3	0	0	0	111.3	I99 R111 L112	I99-L108 HydrophobicContact CG2-CD2 3.47Å; I99-L108 VanDerWaalsContact CG2-CD2 3.47Å; L108-R111 PolarHBondContact O-N 3.16Å; L108-L112 HydrophobicContact CG-CD1 4.35Å; L108-L112 PolarHBondContact O-N 3.05Å
109	H	34.4	Very low	37.6	Very low	55 Å²	55	105.2 Å²	105.2	26%	0.255	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-39	178.4	-109	-55.8	0	0	0	112.6	N106 L112 N113	N106-H109 PolarHBondContact O-N 3.19Å; H109-L112 PolarHBondContact O-N 2.75Å; H109-N113 WeakPolarHBondContact O-CB 3.28Å; H109-N113 PolarHBondContact O-N 2.78Å
110	S	39.5	Very low	37.2	Very low	82 Å²	82	105.7 Å²	105.7	57%	0.573	53%	0.533	S	S	*	.	H	α-helix	trans	-66.3	-38	177.4	70.2	0	0	0	0	112.2	N106 E107	N106-S110 PolarHBondContact O-N 2.94Å; E107-S110 PolarHBondContact O-OG 3.47Å; E107-S110 VanDerWaalsContact O-OG 3.06Å
111	R	39.1	Very low	36.5	Very low	208 Å²	208	104.7 Å²	104.7	79%	0.785	53%	0.532	S	S	*	.	H	α-helix	trans	-73.3	-26.6	179.7	-61.9	-176.7	93.1	176.2	6.2	113.5	L108	L108-R111 PolarHBondContact O-N 3.16Å
112	L	38.8	Very low	35.9	Very low	77 Å²	77	103.6 Å²	103.6	40%	0.403	53%	0.527	S	S	.	.	H	α-helix	trans	-85.2	-27.5	177.5	-73.8	169.1	0	0	0	113.6	L108 H109 G114	L108-L112 HydrophobicContact CG-CD1 4.35Å; L108-L112 PolarHBondContact O-N 3.05Å; H109-L112 PolarHBondContact O-N 2.75Å; L112-G114 VanDerWaalsContact C-N 3.31Å; L112-G114 PolarHBondContact O-N 2.98Å
113	N	35.3	Very low	35.4	Very low	80 Å²	80	98.5 Å²	98.5	43%	0.428	51%	0.512	S	S	.	.			trans	-85.6	15.6	-174	-80.2	-11.3	0	0	0	115	H109 D115	H109-N113 WeakPolarHBondContact O-CB 3.28Å; H109-N113 PolarHBondContact O-N 2.78Å; N113-D115 PolarHBondContact O-N 3.27Å
114	G	36.6	Very low	35.2	Very low	38 Å²	38	99.7 Å²	99.7	39%	0.392	52%	0.519	S	S	.	.			trans	-54.5	114.1	169.2	0	0	0	0	0	110.1	L112 S116 N117	L112-G114 VanDerWaalsContact C-N 3.31Å; L112-G114 PolarHBondContact O-N 2.98Å; G114-S116 PolarHBondContact O-N 3.32Å; G114-N117 PolarHBondContact O-N 2.83Å; G114-N117 VanDerWaalsContact O-N 3.08Å
115	D	33.8	Very low	34.7	Very low	144 Å²	144	95 Å²	95	77%	0.77	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-12	-166.6	-92.2	-40.2	0	0	0	116.3	N113	N113-D115 PolarHBondContact O-N 3.27Å
116	S	37.5	Very low	34.2	Very low	79 Å²	79	99.2 Å²	99.2	55%	0.552	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.4	176.4	54.2	0	0	0	0	114.4	G114 I120	G114-S116 PolarHBondContact O-N 3.32Å; S116-I120 WeakPolarHBondContact O-CD1 3.39Å; S116-I120 VanDerWaalsContact O-CG1 3.28Å; S116-I120 WeakPolarHBondContact O-CG1 3.48Å
117	N	31.5	Very low	33.8	Very low	87 Å²	87	99.1 Å²	99.1	47%	0.465	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-31.2	-173.1	-73.8	-36.8	0	0	0	114.9	G114 I120 I121	G114-N117 PolarHBondContact O-N 2.83Å; G114-N117 VanDerWaalsContact O-N 3.08Å; N117-I120 PolarHBondContact O-N 3.49Å; N117-I121 PolarHBondContact O-N 2.96Å
118	I	29.1	Very low	33.5	Very low	82 Å²	82	96.7 Å²	96.7	42%	0.421	49%	0.494	S	S	.	.	H	α-helix	trans	-71.1	-42.9	-177.6	-65.4	177.3	0	0	0	111	I120 I121 E122	I118-I120 PolarHBondContact O-N 3.41Å; I118-I121 PolarHBondContact O-N 3.29Å; I118-I121 VanDerWaalsContact O-N 3.1Å; I118-E122 PolarHBondContact O-N 3.05Å
119	K	30.3	Very low	33.3	Very low	168 Å²	168	100.4 Å²	100.4	73%	0.73	51%	0.512	S	S	*	.	H	α-helix	trans	-61.7	-26.2	176.3	-76.5	-174.1	177	177.9	0	113.3	C123	K119-C123 VanDerWaalsContact O-CB 3.23Å; K119-C123 WeakPolarHBondContact O-CB 3.46Å; K119-C123 PolarHBondContact O-N 3.11Å
120	I	32.5	Very low	33.1	Very low	43 Å²	43	101.5 Å²	101.5	22%	0.221	53%	0.53	C	S	.	.	H	α-helix	trans	-71.1	-40.6	176.4	-63.8	170.3	0	0	0	110.8	R76 S116 N117 I118 V124	R76-I120 VanDerWaalsContact CZ-CD1 3.46Å; S116-I120 WeakPolarHBondContact O-CD1 3.39Å; S116-I120 VanDerWaalsContact O-CG1 3.28Å; S116-I120 WeakPolarHBondContact O-CG1 3.48Å; N117-I120 PolarHBondContact O-N 3.49Å; I118-I120 PolarHBondContact O-N 3.41Å; I120-V124 HydrophobicContact CG2-CG2 4.32Å; I120-V124 WeakPolarHBondContact O-CB 3.23Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 2.99Å
121	I	29.1	Very low	32.6	Very low	104 Å²	104	106.3 Å²	106.3	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-68.8	-41.8	-176.4	-63.7	171.4	0	0	0	110.7	N117 I118 Q125	N117-I121 PolarHBondContact O-N 2.96Å; I118-I121 PolarHBondContact O-N 3.29Å; I118-I121 VanDerWaalsContact O-N 3.1Å; I121-Q125 PolarHBondContact O-N 2.87Å; I121-Q125 VanDerWaalsContact O-N 3.08Å
122	E	29.8	Very low	32.2	Very low	115 Å²	115	102.2 Å²	102.2	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-70.8	-38.7	178.4	-68.1	-178.4	160.1	0	0	112.3	I118 V124 Q125 Q126	I118-E122 PolarHBondContact O-N 3.05Å; E122-V124 PolarHBondContact O-N 3.32Å; E122-Q125 PolarHBondContact O-N 3Å; E122-Q126 PolarHBondContact O-N 3Å; E122-Q126 VanDerWaalsContact O-N 3.15Å
123	C	31.5	Very low	31.7	Very low	64 Å²	64	104.4 Å²	104.4	43%	0.432	54%	0.542	S	S	.	.	H	α-helix	trans	-67.1	-35.9	176.4	-171.7	0	0	0	0	112.3	K119 K127	K119-C123 VanDerWaalsContact O-CB 3.23Å; K119-C123 WeakPolarHBondContact O-CB 3.46Å; K119-C123 PolarHBondContact O-N 3.11Å; C123-K127 PolarHBondContact O-N 2.9Å
124	V	33.1	Very low	31.4	Very low	46 Å²	46	107.9 Å²	107.9	28%	0.279	56%	0.561	S	S	.	*	H	α-helix	trans	-68.7	-36.8	174	172.8	0	0	0	0	111.1	I120 E122 K127 E128	I120-V124 HydrophobicContact CG2-CG2 4.32Å; I120-V124 WeakPolarHBondContact O-CB 3.23Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 2.99Å; E122-V124 PolarHBondContact O-N 3.32Å; V124-K127 PolarHBondContact O-N 3.17Å; V124-E128 HydrophobicContact CG1-CG 4.17Å; V124-E128 WeakPolarHBondContact O-CB 3.49Å; V124-E128 WeakPolarHBondContact O-CG 3.34Å; V124-E128 PolarHBondContact O-N 3.05Å
125	Q	30.2	Very low	31.1	Very low	110 Å²	110	111.9 Å²	111.9	51%	0.514	57%	0.569	S	S	.	*	H	α-helix	trans	-62.1	-44.2	175.4	-84	-177.2	-32.3	0	0	113.1	I121 E122 K127 M129	I121-Q125 PolarHBondContact O-N 2.87Å; I121-Q125 VanDerWaalsContact O-N 3.08Å; E122-Q125 PolarHBondContact O-N 3Å; Q125-K127 VanDerWaalsContact C-N 3.34Å; Q125-K127 PolarHBondContact O-N 2.81Å; Q125-M129 PolarHBondContact O-N 3.42Å
126	Q	29.9	Very low	30.9	Very low	155 Å²	155	108 Å²	108	72%	0.724	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-35.3	178.6	-74.3	-177.2	-8.5	0	0	112.3	E122	E122-Q126 PolarHBondContact O-N 3Å; E122-Q126 VanDerWaalsContact O-N 3.15Å
127	K	33.2	Very low	30.5	Very low	136 Å²	136	109.5 Å²	109.5	59%	0.591	56%	0.561	S	S	*	*	H	α-helix	trans	-79.3	-30.3	178.2	-74.6	-175.4	175.6	-178.7	0	113.8	C123 V124 Q125 M129 A130	C123-K127 PolarHBondContact O-N 2.9Å; V124-K127 PolarHBondContact O-N 3.17Å; Q125-K127 VanDerWaalsContact C-N 3.34Å; Q125-K127 PolarHBondContact O-N 2.81Å; K127-M129 VanDerWaalsContact C-N 3.33Å; K127-A130 PolarHBondContact O-N 3.16Å
128	E	31.9	Very low	30.4	Very low	98 Å²	98	116 Å²	116	46%	0.458	58%	0.579	S	S	.	*	H	α-helix	trans	-69.3	-30.3	172.6	-78.6	-174.7	155.5	0	0	112.3	V124 A130 Y131 L132	V124-E128 HydrophobicContact CG1-CG 4.17Å; V124-E128 WeakPolarHBondContact O-CB 3.49Å; V124-E128 WeakPolarHBondContact O-CG 3.34Å; V124-E128 PolarHBondContact O-N 3.05Å; E128-A130 VanDerWaalsContact C-N 3.27Å; E128-A130 PolarHBondContact O-N 2.85Å; E128-Y131 PolarHBondContact O-N 3.15Å; E128-L132 PolarHBondContact O-N 2.86Å
129	M	31.4	Very low	30.4	Very low	138 Å²	138	116 Å²	116	68%	0.68	58%	0.583	S	S	*	*	H	α-helix	trans	-65.8	-26.9	173.2	-77.2	-177.7	69.3	0	0	113.3	Q125 K127	Q125-M129 PolarHBondContact O-N 3.42Å; K127-M129 VanDerWaalsContact C-N 3.33Å
130	A	30.3	Very low	30.1	Very low	77 Å²	77	117.1 Å²	117.1	64%	0.636	59%	0.588	S	S	*	*	H	α-helix	trans	-78.1	-23.9	179.9	0	0	0	0	0	113.7	K127 E128	K127-A130 PolarHBondContact O-N 3.16Å; E128-A130 VanDerWaalsContact C-N 3.27Å; E128-A130 PolarHBondContact O-N 2.85Å
131	Y	29.6	Very low	29.9	Very low	184 Å²	184	118.1 Å²	118.1	72%	0.722	60%	0.603	S	S	*	*	H	α-helix	trans	-104.7	-8.3	-172.5	-130.5	-90.9	0	0	0	114.6	E128	E128-Y131 PolarHBondContact O-N 3.15Å
132	L	30.5	Very low	29.9	Very low	122 Å²	122	120.8 Å²	120.8	64%	0.639	62%	0.618	S	S	*	*			trans	-106.3	7	179.9	-73	166.3	0	0	0	113.5	E128 N134	E128-L132 PolarHBondContact O-N 2.86Å; L132-N134 PolarHBondContact O-N 3.45Å
133	N	28.3	Very low	29.7	Very low	123 Å²	123	122.1 Å²	122.1	66%	0.658	63%	0.629	S	S	*	*			trans	-75.2	26.2	168.1	-76.9	-6.4	0	0	0	113.1	E135	N133-E135 PolarHBondContact O-N 3.44Å
134	N	29.7	Very low	29.5	Very low	153 Å²	153	124.7 Å²	124.7	82%	0.818	64%	0.643	S	S	*	*			trans	-71	83	154.5	-79.3	-0.8	0	0	0	106.1	L132 S136	L132-N134 PolarHBondContact O-N 3.45Å; N134-S136 PolarHBondContact O-N 2.99Å
135	E	29.4	Very low	29.1	Very low	122 Å²	122	129.2 Å²	129.2	57%	0.57	67%	0.671	S	S	*	*			trans	-49.5	137.4	176.3	-68.9	-178.3	153.1	0	0	109.2	N133 V139	N133-E135 PolarHBondContact O-N 3.44Å; E135-V139 HydrophobicContact CB-CB 4.42Å
136	S	30.8	Very low	28.8	Very low	61 Å²	61	132.1 Å²	132.1	43%	0.427	68%	0.684	S	S	.	*			trans	-49.6	136	169.1	178	0	0	0	0	108.2	N134 W138 V139	N134-S136 PolarHBondContact O-N 2.99Å; S136-W138 PolarHBondContact O-N 3.01Å; S136-V139 PolarHBondContact O-N 3.05Å
137	P	29.2	Very low	28.5	Very low	111 Å²	111	130.7 Å²	130.7	72%	0.721	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-9	-174.4	-27.5	33.7	0	0	0	116.2
138	W	29.7	Very low	28.1	Very low	223 Å²	223	129.5 Å²	129.5	85%	0.845	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-7.6	-176.7	-51.4	101.8	0	0	0	114	S136 K140	S136-W138 PolarHBondContact O-N 3.01Å; W138-K140 VanDerWaalsContact C-N 3.33Å; W138-K140 PolarHBondContact O-N 3.18Å; W138-K140 VanDerWaalsContact O-N 3.16Å
139	V	27.2	Very low	27.9	Very low	83 Å²	83	129.9 Å²	129.9	50%	0.503	71%	0.712	S	S	.	*			trans	-86.6	76.4	170.2	-172.2	0	0	0	0	108.3	E135 S136 A141	E135-V139 HydrophobicContact CB-CB 4.42Å; S136-V139 PolarHBondContact O-N 3.05Å; V139-A141 PolarHBondContact O-N 3.41Å; V139-A141 VanDerWaalsContact O-N 3.12Å
140	K	25.8	Very low	27.6	Very low	191 Å²	191	128.9 Å²	128.9	83%	0.83	72%	0.718	S	S	*	*			trans	-73.4	101.9	160.6	-79.2	-172.8	178.7	-179.4	0	107	W138 N142	W138-K140 VanDerWaalsContact C-N 3.33Å; W138-K140 PolarHBondContact O-N 3.18Å; W138-K140 VanDerWaalsContact O-N 3.16Å; K140-N142 PolarHBondContact O-N 2.54Å; K140-N142 VanDerWaalsContact O-N 3.14Å
141	A	28.3	Very low	27.6	Very low	65 Å²	65	133.1 Å²	133.1	54%	0.537	73%	0.728	S	S	.	*			trans	-49.4	119.3	170.2	0	0	0	0	0	109.5	V139 N143	V139-A141 PolarHBondContact O-N 3.41Å; V139-A141 VanDerWaalsContact O-N 3.12Å; A141-N143 PolarHBondContact O-N 3.26Å
142	N	27.1	Very low	27.3	Very low	159 Å²	159	130.5 Å²	130.5	85%	0.85	73%	0.732	S	S	*	*			trans	-61.6	87.6	167.1	-79.8	-27.2	0	0	0	108.7	K140 T144	K140-N142 PolarHBondContact O-N 2.54Å; K140-N142 VanDerWaalsContact O-N 3.14Å; N142-T144 PolarHBondContact O-N 2.68Å
143	N	27.3	Very low	26.9	Very low	143 Å²	143	128 Å²	128	77%	0.765	74%	0.735	S	S	*	*			trans	-74.5	101	159.2	-80.8	-14.9	0	0	0	107.7	A141	A141-N143 PolarHBondContact O-N 3.26Å
144	T	25.7	Very low	26.9	Very low	119 Å²	119	131.7 Å²	131.7	73%	0.73	75%	0.749	S	S	*	*			trans	43.4	103.3	143.4	51.4	0	0	0	0	118.1	N142	N142-T144 PolarHBondContact O-N 2.68Å
145	T	26.2	Very low	26.7	Very low	141 Å²	141	129 Å²	129	87%	0.865	74%	0.742	S	S	*	*			trans	-134.8	123.8	136.1	40.1	0	0	0	0	109.5	C147	T145-C147 PolarHBondContact O-N 3.39Å
146	H	23	Very low	26.6	Very low	171 Å²	171	130 Å²	130	79%	0.792	75%	0.751	S	S	*	*			trans	-53	125	-179.2	-72.3	-94.5	0	0	0	111.9
147	C	24.3	Very low	26.3	Very low	125 Å²	125	136 Å²	136	85%	0.845	77%	0.772	S	S	*	*			trans	-121.3	87.2	157.1	-84.4	0	0	0	0	107.8	T145 S149	T145-C147 PolarHBondContact O-N 3.39Å; C147-S149 PolarHBondContact O-N 3.34Å
148	S	23.9	Very low	26.2	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	78%	0.779	S	S	*	*			trans	-61.9	107.7	165.9	-45.7	0	0	0	0	108.4
149	S	28.7	Very low	26	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	78%	0.78	S	S	*	*			trans	-146.7	106.1	158.4	48.4	0	0	0	0	109.5	C147	C147-S149 PolarHBondContact O-N 3.34Å
150	S	25	Very low	25.8	Very low	117 Å²	117	133.4 Å²	133.4	82%	0.818	79%	0.793	S	S	*	*			trans	-62.9	124.1	171.6	13.7	0	0	0	0	110.4
151	I	29.9	Very low	25.7	Very low	166 Å²	166	129.9 Å²	129.9	85%	0.851	79%	0.793	S	S	*	*			trans	-136.7	118.4	155.3	-60.4	-177.1	0	0	0	108.8
152	T	23.8	Very low	25.9	Very low	129 Å²	129	130.6 Å²	130.6	79%	0.791	79%	0.794	S	S	*	*			trans	-73.8	140.7	178.6	44	0	0	0	0	112.6
153	G	22.9	Very low	25.9	Very low	69 Å²	69	128.9 Å²	128.9	71%	0.711	79%	0.785	S	S	*	*			trans	37.8	126.1	142.6	0	0	0	0	0	120.9
154	Q	27.5	Very low	26.4	Very low	202 Å²	202	128.8 Å²	128.8	94%	0.944	78%	0.78	S	S	*	*				-174.4	142.2	104.5	-97.2	173.2	15.8	0	0	111.7
155	S	24.9	Very low	27	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	76%	0.756	S	S	*	*			trans	-72.6	145.2	176.6	47	0	0	0	0	113.1
156	N	27.4	Very low	27.5	Very low	144 Å²	144	124.4 Å²	124.4	77%	0.77	74%	0.742	S	S	*	*				-177	120.9	121.1	-91.2	-17.3	0	0	0	114.3
157	Q	25	Very low	28.6	Very low	186 Å²	186	119 Å²	119	87%	0.869	72%	0.719	S	S	*	*			trans	9	124.4	147.6	-55.7	179	2.3	0	0	120.2
158	S	27.8	Very low	29.2	Very low	123 Å²	123	120.3 Å²	120.3	86%	0.86	72%	0.716	S	S	*	*				-160.4	130.7	126.1	50.5	0	0	0	0	110.5	C160	S158-C160 PolarHBondContact O-N 3.31Å
159	S	24.2	Very low	30.3	Very low	123 Å²	123	117.8 Å²	117.8	86%	0.86	69%	0.694	S	S	*	*			trans	-79.6	100.5	-171.6	40	0	0	0	0	111.9
160	C	23.7	Very low	30.9	Very low	116 Å²	116	118 Å²	118	78%	0.784	70%	0.695	S	S	*	*			trans	-141.7	95.7	149.5	-88.8	0	0	0	0	106	S158 S162	S158-C160 PolarHBondContact O-N 3.31Å; C160-S162 PolarHBondContact O-N 3.32Å
161	S	23.7	Very low	32	Very low	117 Å²	117	114.6 Å²	114.6	82%	0.818	67%	0.667	S	S	*	*			trans	-69.6	59.9	179.9	50.1	0	0	0	0	111.8	N163	S161-N163 PolarHBondContact O-N 2.86Å; S161-N163 VanDerWaalsContact O-N 3.1Å
162	S	31.3	Very low	32.6	Very low	81 Å²	81	109.9 Å²	109.9	57%	0.566	65%	0.649	S	S	*	*			trans	-72.3	95.3	148.3	63.4	0	0	0	0	105.5	C160 Q164	C160-S162 PolarHBondContact O-N 3.32Å; S162-Q164 PolarHBondContact O-N 3.1Å
163	N	29	Very low	33.5	Very low	123 Å²	123	110 Å²	110	66%	0.658	65%	0.652	S	S	*	*			trans	-53.1	92	162.8	-81.7	-25.8	0	0	0	107.1	S161 D165	S161-N163 PolarHBondContact O-N 2.86Å; S161-N163 VanDerWaalsContact O-N 3.1Å; N163-D165 VanDerWaalsContact C-N 3.26Å; N163-D165 PolarHBondContact O-N 2.81Å
164	Q	35.7	Very low	34.3	Very low	141 Å²	141	115.5 Å²	115.5	66%	0.659	66%	0.656	S	S	*	*			trans	-75.3	93	172.2	-67.1	-170.9	7.1	0	0	104.5	S162 E166	S162-Q164 PolarHBondContact O-N 3.1Å; Q164-E166 HydrophobicContact CB-CG 4.47Å; Q164-E166 PolarHBondContact O-N 2.86Å
165	D	38.9	Very low	35.2	Very low	42 Å²	42	107 Å²	107	23%	0.225	62%	0.62	C	S	.	*			trans	-60.9	83.4	162	-66	-37.8	0	0	0	106	N163 I167 I215 R217	N163-D165 VanDerWaalsContact C-N 3.26Å; N163-D165 PolarHBondContact O-N 2.81Å; D165-I167 PolarHBondContact O-N 3.5Å; D165-I167 VanDerWaalsContact O-N 3.1Å; D165-I215 HydrophobicContact CB-CD1 4.26Å; D165-R217 IonicContact OD1-CZ 3.64Å; D165-R217 IonicContact OD1-NE 3.88Å; D165-R217 IonicContact OD1-NH2 2.75Å; D165-R217 PolarHBondContact OD1-NH2 2.7Å
166	E	37.7	Very low	36.9	Very low	126 Å²	126	113.9 Å²	113.9	59%	0.589	63%	0.631	S	S	*	*			trans	-67.3	107.5	179.4	-89.5	-162.7	131.1	0	0	107.9	Q164 L168	Q164-E166 HydrophobicContact CB-CG 4.47Å; Q164-E166 PolarHBondContact O-N 2.86Å; E166-L168 VanDerWaalsContact C-N 3.35Å; E166-L168 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact O-N 3.09Å
167	I	45.3	Very low	39.4	Very low	58 Å²	58	110.7 Å²	110.7	30%	0.297	61%	0.614	S	S	.	*			trans	-70.4	102.8	160.9	-54.5	172.7	0	0	0	104.5	D165 L169 V213 I264	D165-I167 PolarHBondContact O-N 3.5Å; D165-I167 VanDerWaalsContact O-N 3.1Å; I167-L169 VanDerWaalsContact C-N 3.28Å; I167-L169 HydrophobicContact CG2-CD1 4.46Å; I167-L169 HydrophobicContact CG2-CD2 4.07Å; I167-L169 HydrophobicContact CG2-CG 3.88Å; I167-L169 PolarHBondContact O-N 3.41Å; I167-V213 HydrophobicContact CD1-CB 4.38Å; I167-V213 HydrophobicContact CD1-CG1 3.67Å; I167-V213 HydrophobicContact CG1-CG1 4.42Å; I167-I264 HydrophobicContact CD1-CD1 4.27Å
168	L	37.7	Very low	42	Very low	151 Å²	151	102.9 Å²	102.9	79%	0.791	58%	0.58	S	S	*	*			trans	-71	88.6	176.6	-134.4	113.7	0	0	0	107.9	E166	E166-L168 VanDerWaalsContact C-N 3.35Å; E166-L168 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact O-N 3.09Å
169	L	46.3	Very low	44.6	Very low	59 Å²	59	100.3 Å²	100.3	31%	0.309	56%	0.559	S	S	.	*			trans	-87.2	111.5	172.1	-68.4	166.3	0	0	0	108.1	I167 I171 I264	I167-L169 VanDerWaalsContact C-N 3.28Å; I167-L169 HydrophobicContact CG2-CD1 4.46Å; I167-L169 HydrophobicContact CG2-CD2 4.07Å; I167-L169 HydrophobicContact CG2-CG 3.88Å; I167-L169 PolarHBondContact O-N 3.41Å; L169-I171 HydrophobicContact CB-CG1 4.42Å; L169-I171 PolarHBondContact O-N 3.08Å; L169-I264 WeakPolarHBondContact CD1-O 3.46Å
170	S	42.1	Very low	47.3	Very low	109 Å²	109	98.8 Å²	98.8	76%	0.762	54%	0.541	S	S	*	.			trans	-84.8	88.5	166.7	61.1	0	0	0	0	108.6
171	I	48.3	Very low	50.1	Low	45 Å²	45	94 Å²	94	23%	0.231	51%	0.507	C	S	.	.			trans	-80	129.8	172.7	-59.3	152.4	0	0	0	107.3	L169 P173 M185 V253	L169-I171 HydrophobicContact CB-CG1 4.42Å; L169-I171 PolarHBondContact O-N 3.08Å; I171-P173 VanDerWaalsContact O-CD 3.24Å; I171-P173 WeakPolarHBondContact O-CD 3.48Å; I171-M185 HydrophobicContact CD1-CE 3.38Å; I171-M185 HydrophobicContact CG1-CE 3.58Å; I171-V253 HydrophobicContact CD1-CG1 3.78Å; I171-V253 HydrophobicContact CG1-CG1 4.48Å; I171-V253 HydrophobicContact CG2-CG1 4.04Å
172	C	41.4	Very low	53.1	Low	67 Å²	67	89.1 Å²	89.1	45%	0.453	47%	0.472	S	S	.	.			trans	-66.4	118.4	173.4	-168	0	0	0	0	108.9	K174 A175	C172-K174 PolarHBondContact O-N 3.41Å; C172-A175 PolarHBondContact O-N 2.9Å; C172-A175 VanDerWaalsContact O-N 3.16Å
173	P	42.5	Very low	55.6	Low	132 Å²	132	88 Å²	88	86%	0.857	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13	-178.4	-22.1	32.7	0	0	0	114	I171	I171-P173 VanDerWaalsContact O-CD 3.24Å; I171-P173 WeakPolarHBondContact O-CD 3.48Å
174	K	39.7	Very low	58.2	Low	185 Å²	185	86.5 Å²	86.5	80%	0.804	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.6	-177.1	-61.9	-172.6	179.9	179	0	114.3	C172 R176	C172-K174 PolarHBondContact O-N 3.41Å; K174-R176 PolarHBondContact O-N 3.48Å
175	A	46.4	Very low	60.7	Low	22 Å²	22	80.1 Å²	80.1	18%	0.182	43%	0.43	C	S	.	.			trans	-73	93.7	176.1	0	0	0	0	0	109.7	C172 N180 I181	C172-A175 PolarHBondContact O-N 2.9Å; C172-A175 VanDerWaalsContact O-N 3.16Å; A175-N180 HydrophobicContact CB-CB 4.24Å; A175-I181 HydrophobicContact CB-CG1 3.84Å; A175-I181 WeakPolarHBondContact O-CD1 3.44Å; A175-I181 WeakPolarHBondContact O-CG1 3.38Å
176	R	61.3	Low	63.2	Low	242 Å²	242	82.4 Å²	82.4	91%	0.913	44%	0.439	S	S	*	.			trans	-79.4	-24.9	176.8	-68.9	-176.6	-180	170.7	-0.3	113	K174	K174-R176 PolarHBondContact O-N 3.48Å
177	D	78.6	Confident	65.8	Low	77 Å²	77	77.6 Å²	77.6	41%	0.412	42%	0.418	S	S	.	.	S	Bend	trans	-85.7	123.9	-178.9	-168.4	-47	0	0	0	110.7	T179 N180 I181	D177-T179 PolarHBondContact O-N 3.46Å; D177-T179 VanDerWaalsContact O-N 3.13Å; D177-T179 WeakPolarHBondContact OD1-CA 3.36Å; D177-T179 WeakPolarHBondContact OD1-CB 3.46Å; D177-T179 PolarHBondContact OD1-N 3.49Å; D177-T179 PolarHBondContact OD1-OG1 3.35Å; D177-N180 HydrophobicContact CB-CB 4.45Å; D177-N180 PolarHBondContact O-N 3.11Å; D177-I181 PolarHBondContact O-N 3.36Å
178	P	80.2	Confident	67.9	Low	22 Å²	22	77.6 Å²	77.6	14%	0.143	42%	0.422	C	S	.	.	H	α-helix	trans	-49.8	-35	174.4	-32.9	41.2	0	0	0	114.2	N180 I181 L182 K246 N247 C250	P178-N180 PolarHBondContact O-N 3.31Å; P178-I181 PolarHBondContact O-N 3Å; P178-L182 VanDerWaalsContact O-CG 3.23Å; P178-L182 WeakPolarHBondContact O-CG 3.49Å; P178-L182 PolarHBondContact O-N 2.87Å; P178-K246 HydrophobicContact CB-CB 4.03Å; P178-N247 WeakPolarHBondContact CG-OD1 3.37Å; P178-C250 HydrophobicContact CB-CB 3.91Å; P178-C250 HydrophobicContact CG-CB 4.14Å
179	T	82	Confident	70.3	Confident	69 Å²	69	74.2 Å²	74.2	42%	0.423	40%	0.404	S	S	.	.	H	α-helix	trans	-62.5	-42.7	178.3	-50.2	0	0	0	0	111.7	D177 L182 A183	D177-T179 PolarHBondContact O-N 3.46Å; D177-T179 VanDerWaalsContact O-N 3.13Å; D177-T179 WeakPolarHBondContact OD1-CA 3.36Å; D177-T179 WeakPolarHBondContact OD1-CB 3.46Å; D177-T179 PolarHBondContact OD1-N 3.49Å; D177-T179 PolarHBondContact OD1-OG1 3.35Å; T179-L182 PolarHBondContact O-N 3.11Å; T179-A183 PolarHBondContact O-N 3.09Å
180	N	81.8	Confident	72.3	Confident	91 Å²	91	77 Å²	77	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-70.4	-41.6	179.5	-66.6	-19.4	0	0	0	111	A175 D177 P178 L182 A183 D184	A175-N180 HydrophobicContact CB-CB 4.24Å; D177-N180 HydrophobicContact CB-CB 4.45Å; D177-N180 PolarHBondContact O-N 3.11Å; P178-N180 PolarHBondContact O-N 3.31Å; N180-L182 VanDerWaalsContact C-N 3.3Å; N180-L182 PolarHBondContact O-N 3.38Å; N180-A183 WeakPolarHBondContact O-CB 3.4Å; N180-A183 PolarHBondContact O-N 3.33Å; N180-A183 VanDerWaalsContact O-N 3.17Å; N180-D184 PolarHBondContact O-N 2.82Å
181	I	82.6	Confident	74.7	Confident	15 Å²	15	75.2 Å²	75.2	8%	0.077	40%	0.398	C	S	.	.	H	α-helix	trans	-56	-47	174.8	-67.7	171.9	0	0	0	111.1	A175 D177 P178 A183 D184 M185 C250 V253	A175-I181 HydrophobicContact CB-CG1 3.84Å; A175-I181 WeakPolarHBondContact O-CD1 3.44Å; A175-I181 WeakPolarHBondContact O-CG1 3.38Å; D177-I181 PolarHBondContact O-N 3.36Å; P178-I181 PolarHBondContact O-N 3Å; I181-A183 VanDerWaalsContact C-N 3.31Å; I181-A183 PolarHBondContact O-N 2.81Å; I181-D184 PolarHBondContact O-N 3.45Å; I181-M185 HydrophobicContact CG2-CE 4.1Å; I181-M185 HydrophobicContact CG2-SD 4.46Å; I181-M185 WeakPolarHBondContact O-CG 3.49Å; I181-M185 PolarHBondContact O-N 2.91Å; I181-C250 HydrophobicContact CD1-CB 4.25Å; I181-V253 HydrophobicContact CD1-CG1 4.39Å; I181-V253 HydrophobicContact CG2-CB 4Å; I181-V253 HydrophobicContact CG2-CG1 3.49Å; I181-V253 VanDerWaalsContact CG2-CG1 3.49Å; I181-V253 HydrophobicContact CG2-CG2 3.52Å
182	L	85.8	Confident	76.9	Confident	15 Å²	15	73.7 Å²	73.7	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-69.8	-30.4	-179	-65.1	177.8	0	0	0	112.2	P178 T179 N180 M185 H186 K246 I263 A266 L287	P178-L182 VanDerWaalsContact O-CG 3.23Å; P178-L182 WeakPolarHBondContact O-CG 3.49Å; P178-L182 PolarHBondContact O-N 2.87Å; T179-L182 PolarHBondContact O-N 3.11Å; N180-L182 VanDerWaalsContact C-N 3.3Å; N180-L182 PolarHBondContact O-N 3.38Å; L182-M185 PolarHBondContact O-N 3.25Å; L182-H186 PolarHBondContact O-N 3.25Å; L182-K246 HydrophobicContact CD1-CB 4.19Å; L182-K246 HydrophobicContact CD1-CD 4.26Å; L182-K246 HydrophobicContact CD1-CG 3.81Å; L182-I263 HydrophobicContact CD2-CD1 3.99Å; L182-A266 HydrophobicContact CB-CB 4.1Å; L182-A266 HydrophobicContact CD2-CB 3.86Å; L182-L287 HydrophobicContact CD1-CD2 3.86Å; L182-L287 HydrophobicContact CD2-CD2 3.4Å; L182-L287 VanDerWaalsContact CD2-CD2 3.4Å; L182-L287 HydrophobicContact CG-CD2 4.24Å
183	A	84.9	Confident	79.3	Confident	56 Å²	56	73.4 Å²	73.4	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-43.3	173.4	0	0	0	0	0	111.7	T179 N180 I181 M185 H186	T179-A183 PolarHBondContact O-N 3.09Å; N180-A183 WeakPolarHBondContact O-CB 3.4Å; N180-A183 PolarHBondContact O-N 3.33Å; N180-A183 VanDerWaalsContact O-N 3.17Å; I181-A183 VanDerWaalsContact C-N 3.31Å; I181-A183 PolarHBondContact O-N 2.81Å; A183-M185 PolarHBondContact O-N 2.83Å; A183-H186 VanDerWaalsContact O-CB 3.22Å; A183-H186 WeakPolarHBondContact O-CB 3.45Å; A183-H186 PolarHBondContact O-N 3.43Å; A183-H186 VanDerWaalsContact O-N 3.07Å
184	D	83.6	Confident	81.7	Confident	93 Å²	93	71 Å²	71	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-25.8	176.1	-71.6	-9.2	0	0	0	112.6	N180 I181	N180-D184 PolarHBondContact O-N 2.82Å; I181-D184 PolarHBondContact O-N 3.45Å
185	M	88.8	Confident	84	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.03	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.7	179.2	-63.3	-175.5	178.8	0	0	113.8	I171 I181 L182 A183 V187 V253 I263 A266	I171-M185 HydrophobicContact CD1-CE 3.38Å; I171-M185 HydrophobicContact CG1-CE 3.58Å; I181-M185 HydrophobicContact CG2-CE 4.1Å; I181-M185 HydrophobicContact CG2-SD 4.46Å; I181-M185 WeakPolarHBondContact O-CG 3.49Å; I181-M185 PolarHBondContact O-N 2.91Å; L182-M185 PolarHBondContact O-N 3.25Å; A183-M185 PolarHBondContact O-N 2.83Å; M185-V187 PolarHBondContact O-N 3.1Å; M185-V253 HydrophobicContact CE-CB 4.43Å; M185-V253 HydrophobicContact CE-CG1 3.66Å; M185-V253 HydrophobicContact CE-CG2 4.16Å; M185-I263 HydrophobicContact SD-CB 4.26Å; M185-I263 HydrophobicContact SD-CG2 3.82Å; M185-A266 HydrophobicContact CB-CB 4.19Å; M185-A266 PolarHBondContact O-N 3.24Å
186	H	91.3	Very high	86	Confident	90 Å²	90	67.4 Å²	67.4	42%	0.417	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-64.4	131	-170.7	-175.2	84.5	0	0	0	112.2	L182 A183 A266	L182-H186 PolarHBondContact O-N 3.25Å; A183-H186 VanDerWaalsContact O-CB 3.22Å; A183-H186 WeakPolarHBondContact O-CB 3.45Å; A183-H186 PolarHBondContact O-N 3.43Å; A183-H186 VanDerWaalsContact O-N 3.07Å; H186-A266 CarbonylContact C-O 3.59Å; H186-A266 VanDerWaalsContact CA-O 3.27Å; H186-A266 WeakPolarHBondContact CA-O 3.15Å
187	V	91	Very high	87.4	Confident	26 Å²	26	59 Å²	59	16%	0.158	33%	0.326	C	S	.	.			trans	-122.1	143.1	168.3	-59.2	0	0	0	0	110.3	M185 I192 L211 A265 A266 S267	M185-V187 PolarHBondContact O-N 3.1Å; V187-I192 HydrophobicContact CG2-CD1 3.86Å; V187-I192 HydrophobicContact CG2-CG1 4.06Å; V187-L211 HydrophobicContact CG2-CD1 3.94Å; V187-A265 HydrophobicContact CG1-CB 3.85Å; V187-A265 HydrophobicContact CG2-CB 3.92Å; V187-A266 PolarHBondContact N-O 3.28Å; V187-S267 WeakPolarHBondContact O-CB 3.39Å; V187-S267 PolarHBondContact O-OG 3.37Å
188	P	89.6	Confident	87.9	Confident	57 Å²	57	57.3 Å²	57.3	37%	0.37	32%	0.318	S	S	.	.			trans	-66.3	144.2	177	27.4	-34.9	0	0	0	110.9	N190 K191	P188-N190 WeakPolarHBondContact CB-OD1 3.42Å; P188-N190 WeakPolarHBondContact CG-OD1 3.45Å; P188-N190 PolarHBondContact O-N 3.12Å; P188-K191 HydrophobicContact CG-CD 4.09Å; P188-K191 HydrophobicContact CG-CG 4.08Å; P188-K191 WeakPolarHBondContact O-CB 3.45Å; P188-K191 PolarHBondContact O-N 3.22Å
189	L	88.7	Confident	88.4	Confident	80 Å²	80	57.7 Å²	57.7	42%	0.419	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.7	-28.2	-176.5	-70.8	172.5	0	0	0	113.8	K191 I192 S267 T269 I286	L189-K191 PolarHBondContact O-N 3.44Å; L189-I192 HydrophobicContact CD2-CD1 4.45Å; L189-I192 PolarHBondContact O-N 3.17Å; L189-S267 WeakPolarHBondContact CD2-OG 3.5Å; L189-T269 HydrophobicContact CD1-CG2 4.35Å; L189-T269 HydrophobicContact CD2-CG2 4.42Å; L189-I286 HydrophobicContact CD2-CD1 3.51Å
190	N	87.8	Confident	89	Confident	117 Å²	117	60.7 Å²	60.7	63%	0.626	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-67	-14.2	177.5	67.8	-10.1	0	0	0	113.9	P188 I192	P188-N190 WeakPolarHBondContact CB-OD1 3.42Å; P188-N190 WeakPolarHBondContact CG-OD1 3.45Å; P188-N190 PolarHBondContact O-N 3.12Å; N190-I192 VanDerWaalsContact C-N 3.32Å
191	K	93.5	Very high	89.5	Confident	72 Å²	72	57.2 Å²	57.2	31%	0.313	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-87.7	-0.5	171.2	-68.8	-170.6	179.7	-177.1	0	112.9	P188 L189 L211 L212 W225	P188-K191 HydrophobicContact CG-CD 4.09Å; P188-K191 HydrophobicContact CG-CG 4.08Å; P188-K191 WeakPolarHBondContact O-CB 3.45Å; P188-K191 PolarHBondContact O-N 3.22Å; L189-K191 PolarHBondContact O-N 3.44Å; K191-L211 CarbonylContact O-C 3.59Å; K191-L211 WeakPolarHBondContact O-CA 3.37Å; K191-L212 HydrophobicContact CB-CB 4.04Å; K191-L212 HydrophobicContact CG-CB 4.2Å; K191-L212 HydrophobicContact CG-CD2 4.39Å; K191-L212 PolarHBondContact O-N 3.19Å; K191-W225 WeakPolarHBondContact O-CZ3 3.32Å
192	I	92.9	Very high	90.1	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.8	-176.7	-53.1	172.8	0	0	0	109.1	V187 L189 N190 F194 K210 L211 I230 I288	V187-I192 HydrophobicContact CG2-CD1 3.86Å; V187-I192 HydrophobicContact CG2-CG1 4.06Å; L189-I192 HydrophobicContact CD2-CD1 4.45Å; L189-I192 PolarHBondContact O-N 3.17Å; N190-I192 VanDerWaalsContact C-N 3.32Å; I192-F194 HydrophobicContact CB-CE2 4.49Å; I192-F194 HydrophobicContact CG2-CD2 4.14Å; I192-F194 HydrophobicContact CG2-CE2 3.74Å; I192-F194 HydrophobicContact CG2-CZ 4.21Å; I192-K210 WeakPolarHBondContact CA-O 3.37Å; I192-L211 HydrophobicContact CG1-CD1 4.15Å; I192-I230 HydrophobicContact CG2-CD1 3.55Å; I192-I288 HydrophobicContact CD1-CD1 3.81Å; I192-I288 HydrophobicContact CD1-CG1 4.29Å
193	I	92.7	Very high	90.3	Very high	62 Å²	62	62.4 Å²	62.4	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.8	169.2	-63.3	172	0	0	0	108	N195 G209 K210 W225	I193-N195 WeakPolarHBondContact CG2-OD1 3.35Å; I193-G209 CarbonylContact O-C 3.58Å; I193-G209 WeakPolarHBondContact O-CA 3.37Å; I193-K210 HydrophobicContact CB-CB 4.3Å; I193-K210 PolarHBondContact N-O 3.12Å; I193-K210 PolarHBondContact O-N 3.02Å; I193-W225 HydrophobicContact CB-CZ3 4.35Å; I193-W225 HydrophobicContact CD1-CD2 4.16Å; I193-W225 HydrophobicContact CD1-CE3 3.95Å; I193-W225 HydrophobicContact CD1-CH2 3.38Å; I193-W225 HydrophobicContact CD1-CZ2 3.62Å; I193-W225 HydrophobicContact CD1-CZ3 3.55Å; I193-W225 HydrophobicContact CG1-CE3 4.38Å; I193-W225 HydrophobicContact CG1-CH2 3.57Å; I193-W225 HydrophobicContact CG1-CZ2 4.3Å; I193-W225 HydrophobicContact CG1-CZ3 3.61Å
194	F	91.7	Very high	90.7	Very high	80 Å²	80	59.7 Å²	59.7	35%	0.351	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.5	167.8	-65	-100.1	0	0	0	108.3	I192 Y207 I230 T232 I286	I192-F194 HydrophobicContact CB-CE2 4.49Å; I192-F194 HydrophobicContact CG2-CD2 4.14Å; I192-F194 HydrophobicContact CG2-CE2 3.74Å; I192-F194 HydrophobicContact CG2-CZ 4.21Å; F194-Y207 HydrophobicContact CB-CD1 4.34Å; F194-Y207 HydrophobicContact CD1-CD1 4.02Å; F194-Y207 AromaticContact CD1-CD2 3.84Å; F194-Y207 HydrophobicContact CD1-CD2 3.84Å; F194-Y207 HydrophobicContact CD1-CE1 4.37Å; F194-Y207 HydrophobicContact CD1-CE2 4.22Å; F194-Y207 AromaticContact CD1-CG 3.74Å; F194-Y207 HydrophobicContact CD1-CG 3.74Å; F194-Y207 HydrophobicContact CE1-CD2 4.14Å; F194-Y207 HydrophobicContact CE1-CE2 4.47Å; F194-Y207 HydrophobicContact CE1-CG 4.45Å; F194-I230 HydrophobicContact CD1-CD1 3.97Å; F194-I230 HydrophobicContact CD1-CG2 4.41Å; F194-I230 HydrophobicContact CE1-CB 4.22Å; F194-I230 HydrophobicContact CE1-CD1 4.03Å; F194-I230 HydrophobicContact CE1-CG2 3.59Å; F194-I230 HydrophobicContact CG-CD1 4.28Å; F194-I230 HydrophobicContact CZ-CD1 4.4Å; F194-I230 HydrophobicContact CZ-CG2 4.01Å; F194-T232 HydrophobicContact CE1-CG2 3.75Å; F194-T232 HydrophobicContact CZ-CG2 4.3Å; F194-I286 HydrophobicContact CZ-CD1 3.98Å; F194-I286 HydrophobicContact CZ-CG2 4.15Å
195	N	89.3	Confident	91.2	Very high	77 Å²	77	57 Å²	57	41%	0.412	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-96.4	176.3	-60.5	-42.7	0	0	0	110.1	I193 E208	I193-N195 WeakPolarHBondContact CG2-OD1 3.35Å; N195-E208 WeakPolarHBondContact CA-O 3.48Å; N195-E208 VanDerWaalsContact CB-O 3.31Å; N195-E208 WeakPolarHBondContact CB-O 3.32Å; N195-E208 PolarHBondContact N-O 3.03Å
196	S	88.9	Confident	91.3	Very high	56 Å²	56	57 Å²	57	39%	0.392	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148.5	-176.8	47.7	0	0	0	0	111.1	V198 Y207 E208	S196-V198 PolarHBondContact O-N 3.24Å; S196-Y207 CarbonylContact O-C 3.49Å; S196-Y207 VanDerWaalsContact O-CA 3.32Å; S196-Y207 WeakPolarHBondContact O-CA 3.43Å; S196-E208 PolarHBondContact N-O 3.47Å; S196-E208 PolarHBondContact O-N 3.04Å
197	V	90.2	Very high	91.3	Very high	66 Å²	66	54.7 Å²	54.7	40%	0.4	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.9	167.4	-179.7	0	0	0	0	108	L199 Q200 Y207	V197-L199 WeakPolarHBondContact CG1-O 3.46Å; V197-Q200 HydrophobicContact CG1-CB 4.14Å; V197-Y207 HydrophobicContact CB-CE1 4.47Å; V197-Y207 HydrophobicContact CG2-CD1 3.84Å; V197-Y207 HydrophobicContact CG2-CE1 3.36Å
198	V	88.3	Confident	91.3	Very high	40 Å²	40	55.6 Å²	55.6	24%	0.242	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.2	174.3	178.6	0	0	0	0	110	S196 L206 E208 I229	S196-V198 PolarHBondContact O-N 3.24Å; V198-L206 HydrophobicContact CB-CD2 4.18Å; V198-L206 HydrophobicContact CB-CG 4.29Å; V198-L206 HydrophobicContact CG1-CD2 4.04Å; V198-L206 PolarHBondContact N-O 2.95Å; V198-E208 HydrophobicContact CG2-CB 3.9Å; V198-I229 HydrophobicContact CG2-CD1 4.09Å
199	L	91	Very high	91.4	Very high	31 Å²	31	52.9 Å²	52.9	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.2	174.7	-66.7	172	0	0	0	111	V197 L206 N296 L299 L372 F373	V197-L199 WeakPolarHBondContact CG1-O 3.46Å; L199-L206 HydrophobicContact CB-CB 4.1Å; L199-L206 HydrophobicContact CB-CD2 4.43Å; L199-L206 HydrophobicContact CD1-CD2 4.22Å; L199-L206 HydrophobicContact CG-CD2 4.47Å; L199-L206 PolarHBondContact N-O 3.06Å; L199-L206 PolarHBondContact O-N 3.11Å; L199-N296 HydrophobicContact CD1-CB 4.25Å; L199-L299 HydrophobicContact CD1-CD1 3.78Å; L199-L299 HydrophobicContact CD2-CD1 3.25Å; L199-L299 HydrophobicContact CG-CD1 4Å; L199-L372 HydrophobicContact CB-CD1 4.42Å; L199-L372 HydrophobicContact CB-CD2 4Å; L199-L372 HydrophobicContact CD1-CD1 4.41Å; L199-F373 HydrophobicContact CD1-CE2 4.22Å; L199-F373 HydrophobicContact CD1-CZ 3.83Å
200	Q	93.8	Very high	91.6	Very high	132 Å²	132	52.6 Å²	52.6	62%	0.617	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	126.7	176.3	177.5	166.8	16.7	0	0	108.5	V197 Q205	V197-Q200 HydrophobicContact CG1-CB 4.14Å; Q200-Q205 HydrophobicContact CG-CG 4.14Å
201	G	93.8	Very high	91.9	Very high	18 Å²	18	47.3 Å²	47.3	19%	0.186	25%	0.246	C	C	.	.			trans	-104.4	-165.1	169.3	0	0	0	0	0	111.1	S204 D371	G201-S204 PolarHBondContact N-O 3.09Å; G201-D371 VanDerWaalsContact CA-OD2 3.29Å; G201-D371 WeakPolarHBondContact CA-OD2 3.43Å
202	T	93.5	Very high	91.9	Very high	105 Å²	105	46.1 Å²	46.1	64%	0.644	24%	0.243	S	C	*	.	S	Bend	trans	-70.4	-40	-179.1	-51.9	0	0	0	0	111.5	D371	T202-D371 WeakPolarHBondContact CA-OD1 3.44Å; T202-D371 WeakPolarHBondContact CB-OD1 3.36Å; T202-D371 VanDerWaalsContact N-CG 3.31Å; T202-D371 PolarHBondContact N-OD1 3.3Å; T202-D371 PolarHBondContact N-OD2 3.46Å; T202-D371 VanDerWaalsContact N-OD2 3.15Å; T202-D371 PolarHBondContact OG1-OD1 3.32Å
203	F	91.4	Very high	91.7	Very high	33 Å²	33	46 Å²	46	15%	0.145	24%	0.243	C	C	.	.	S	Bend	trans	-129.3	0.8	-176.2	59.6	-95.1	0	0	0	113.8	L233 T234 K236 A237 Q241 D371	F203-L233 HydrophobicContact CD2-CD2 4.03Å; F203-L233 HydrophobicContact CE2-CD2 4.34Å; F203-T234 WeakPolarHBondContact CA-OG1 3.21Å; F203-T234 PolarHBondContact O-N 3.39Å; F203-T234 PolarHBondContact O-OG1 3.5Å; F203-K236 HydrophobicContact CB-CB 4.27Å; F203-A237 HydrophobicContact CB-CB 4.18Å; F203-A237 HydrophobicContact CD2-CB 4.17Å; F203-Q241 VanDerWaalsContact CD1-NE2 3.35Å; F203-Q241 HydrophobicContact CD2-CB 4.21Å; F203-Q241 HydrophobicContact CD2-CG 4.29Å; F203-Q241 HydrophobicContact CE1-CG 4.26Å; F203-Q241 HydrophobicContact CE2-CB 3.86Å; F203-Q241 HydrophobicContact CE2-CG 3.81Å; F203-Q241 HydrophobicContact CZ-CB 4.34Å; F203-Q241 HydrophobicContact CZ-CG 3.77Å; F203-D371 HydrophobicContact CD1-CB 4.26Å; F203-D371 VanDerWaalsContact CD1-OD1 3.29Å; F203-D371 WeakPolarHBondContact CD1-OD1 3.46Å; F203-D371 HydrophobicContact CE1-CB 3.65Å; F203-D371 VanDerWaalsContact CE1-CG 3.45Å; F203-D371 VanDerWaalsContact CE1-OD1 3.3Å; F203-D371 WeakPolarHBondContact CE1-OD1 3.42Å; F203-D371 HydrophobicContact CE2-CB 3.95Å; F203-D371 HydrophobicContact CZ-CB 3.5Å; F203-D371 VanDerWaalsContact CZ-CB 3.5Å; F203-D371 PolarHBondContact N-OD1 2.8Å; F203-D371 PolarHBondContact N-OD2 2.79Å
204	S	93.3	Very high	91.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.5	-179	73.9	0	0	0	0	113.3	G201 T232 L368 D371	G201-S204 PolarHBondContact N-O 3.09Å; S204-T232 VanDerWaalsContact CA-O 3.32Å; S204-T232 WeakPolarHBondContact CA-O 3.36Å; S204-T232 WeakPolarHBondContact CB-O 3.37Å; S204-L368 VanDerWaalsContact CB-CD2 3.49Å; S204-D371 WeakPolarHBondContact CA-OD2 3.43Å; S204-D371 VanDerWaalsContact CB-OD2 3.24Å; S204-D371 WeakPolarHBondContact CB-OD2 3.33Å; S204-D371 PolarHBondContact N-OD2 3.4Å; S204-D371 PolarHBondContact OG-OD2 3.14Å
205	Q	93	Very high	90.7	Very high	37 Å²	37	43.5 Å²	43.5	17%	0.173	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.8	176.9	-69.4	174.9	-37.2	0	0	110.8	Q200 Y207 T232 T234	Q200-Q205 HydrophobicContact CG-CG 4.14Å; Q205-Y207 HydrophobicContact CB-CD2 4.1Å; Q205-Y207 HydrophobicContact CB-CE2 3.4Å; Q205-Y207 VanDerWaalsContact CD-OH 3.24Å; Q205-Y207 HydrophobicContact CG-CE2 4.37Å; Q205-Y207 PolarHBondContact OE1-OH 3.27Å; Q205-T232 PolarHBondContact N-O 3.26Å; Q205-T232 PolarHBondContact O-N 3.25Å; Q205-T232 PolarHBondContact O-OG1 2.99Å; Q205-T234 HydrophobicContact CG-CG2 4.12Å
206	L	92.3	Very high	90.2	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.7	175.1	-171	72.7	0	0	0	108.7	V198 L199 I229 I230 K231 L372	V198-L206 HydrophobicContact CB-CD2 4.18Å; V198-L206 HydrophobicContact CB-CG 4.29Å; V198-L206 HydrophobicContact CG1-CD2 4.04Å; V198-L206 PolarHBondContact N-O 2.95Å; L199-L206 HydrophobicContact CB-CB 4.1Å; L199-L206 HydrophobicContact CB-CD2 4.43Å; L199-L206 HydrophobicContact CD1-CD2 4.22Å; L199-L206 HydrophobicContact CG-CD2 4.47Å; L199-L206 PolarHBondContact N-O 3.06Å; L199-L206 PolarHBondContact O-N 3.11Å; L206-I229 HydrophobicContact CD1-CG2 3.33Å; L206-I229 HydrophobicContact CG-CG2 4.01Å; L206-I230 WeakPolarHBondContact CA-O 3.19Å; L206-K231 HydrophobicContact CD1-CD 4.45Å; L206-K231 HydrophobicContact CD1-CG 3.49Å; L206-K231 VanDerWaalsContact CD1-CG 3.49Å; L206-L372 HydrophobicContact CB-CD1 4.29Å
207	Y	91.2	Very high	89.4	Confident	41 Å²	41	53 Å²	53	16%	0.161	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.1	-179.7	-66.5	-98.1	0	0	0	111.9	F194 S196 V197 Q205 I229 I230 T232	F194-Y207 HydrophobicContact CB-CD1 4.34Å; F194-Y207 HydrophobicContact CD1-CD1 4.02Å; F194-Y207 AromaticContact CD1-CD2 3.84Å; F194-Y207 HydrophobicContact CD1-CD2 3.84Å; F194-Y207 HydrophobicContact CD1-CE1 4.37Å; F194-Y207 HydrophobicContact CD1-CE2 4.22Å; F194-Y207 AromaticContact CD1-CG 3.74Å; F194-Y207 HydrophobicContact CD1-CG 3.74Å; F194-Y207 HydrophobicContact CE1-CD2 4.14Å; F194-Y207 HydrophobicContact CE1-CE2 4.47Å; F194-Y207 HydrophobicContact CE1-CG 4.45Å; S196-Y207 CarbonylContact O-C 3.49Å; S196-Y207 VanDerWaalsContact O-CA 3.32Å; S196-Y207 WeakPolarHBondContact O-CA 3.43Å; V197-Y207 HydrophobicContact CB-CE1 4.47Å; V197-Y207 HydrophobicContact CG2-CD1 3.84Å; V197-Y207 HydrophobicContact CG2-CE1 3.36Å; Q205-Y207 HydrophobicContact CB-CD2 4.1Å; Q205-Y207 HydrophobicContact CB-CE2 3.4Å; Q205-Y207 VanDerWaalsContact CD-OH 3.24Å; Q205-Y207 HydrophobicContact CG-CE2 4.37Å; Q205-Y207 PolarHBondContact OE1-OH 3.27Å; Y207-I229 CarbonylContact O-C 3.57Å; Y207-I229 WeakPolarHBondContact O-CA 3.34Å; Y207-I229 WeakPolarHBondContact O-CD1 3.47Å; Y207-I230 PolarHBondContact N-O 3.22Å; Y207-I230 PolarHBondContact O-N 2.93Å; Y207-T232 HydrophobicContact CD2-CG2 4.38Å; Y207-T232 HydrophobicContact CE2-CG2 4.47Å; Y207-T232 WeakPolarHBondContact CE2-OG1 3.36Å
208	E	90.6	Very high	88.8	Confident	46 Å²	46	59 Å²	59	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	137.8	153.2	-179.4	173.7	-159.9	0	0	108.5	N195 S196 V198 Q227	N195-E208 WeakPolarHBondContact CA-O 3.48Å; N195-E208 VanDerWaalsContact CB-O 3.31Å; N195-E208 WeakPolarHBondContact CB-O 3.32Å; N195-E208 PolarHBondContact N-O 3.03Å; S196-E208 PolarHBondContact N-O 3.47Å; S196-E208 PolarHBondContact O-N 3.04Å; V198-E208 HydrophobicContact CG2-CB 3.9Å; E208-Q227 PolarHBondContact OE1-NE2 2.95Å
209	G	91.7	Very high	88.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-174.9	-175.5	0	0	0	0	0	113.9	I193 Q227 V228	I193-G209 CarbonylContact O-C 3.58Å; I193-G209 WeakPolarHBondContact O-CA 3.37Å; G209-Q227 PolarHBondContact O-NE2 2.71Å; G209-V228 VanDerWaalsContact C-CG2 3.46Å; G209-V228 PolarHBondContact N-O 3.29Å; G209-V228 WeakPolarHBondContact O-CG2 3.45Å; G209-V228 PolarHBondContact O-N 3.47Å
210	K	93	Very high	87.5	Confident	74 Å²	74	64.9 Å²	64.9	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.8	174.3	-62.2	175	-178	175.9	0	110.6	I192 I193 W225 K226 Q227	I192-K210 WeakPolarHBondContact CA-O 3.37Å; I193-K210 HydrophobicContact CB-CB 4.3Å; I193-K210 PolarHBondContact N-O 3.12Å; I193-K210 PolarHBondContact O-N 3.02Å; K210-W225 HydrophobicContact CB-CB 4.36Å; K210-W225 HydrophobicContact CB-CD2 4.36Å; K210-W225 HydrophobicContact CB-CE3 3.6Å; K210-W225 HydrophobicContact CB-CZ3 4.29Å; K210-W225 HydrophobicContact CD-CB 4.27Å; K210-K226 CarbonylContact C-O 3.55Å; K210-K226 VanDerWaalsContact CA-O 3.22Å; K210-K226 WeakPolarHBondContact CA-O 3.44Å; K210-Q227 VanDerWaalsContact CG-OE1 3.3Å
211	L	94	Very high	86.9	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.2	173	178.3	67.4	0	0	0	109.3	V187 K191 I192 V213 K226 V228 I264 A265 I288	V187-L211 HydrophobicContact CG2-CD1 3.94Å; K191-L211 CarbonylContact O-C 3.59Å; K191-L211 WeakPolarHBondContact O-CA 3.37Å; I192-L211 HydrophobicContact CG1-CD1 4.15Å; L211-V213 HydrophobicContact CB-CG1 4.46Å; L211-V213 HydrophobicContact CD2-CG1 3.8Å; L211-V213 HydrophobicContact CG-CG1 3.88Å; L211-V213 PolarHBondContact O-N 2.93Å; L211-K226 PolarHBondContact N-O 3.46Å; L211-K226 PolarHBondContact O-N 3.32Å; L211-V228 HydrophobicContact CB-CG1 3.79Å; L211-V228 HydrophobicContact CB-CG2 4.21Å; L211-I264 HydrophobicContact CD2-CD1 3.79Å; L211-I264 HydrophobicContact CD2-CG1 4.3Å; L211-A265 HydrophobicContact CD1-CB 4.39Å; L211-A265 HydrophobicContact CD2-CB 3.88Å; L211-I288 HydrophobicContact CB-CG2 4.45Å; L211-I288 HydrophobicContact CD2-CG2 4.26Å
212	L	93.4	Very high	86.5	Confident	46 Å²	46	64.6 Å²	64.6	24%	0.241	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	107.6	172.5	-172.4	65.4	0	0	0	109.2	K191 W225	K191-L212 HydrophobicContact CB-CB 4.04Å; K191-L212 HydrophobicContact CG-CB 4.2Å; K191-L212 HydrophobicContact CG-CD2 4.39Å; K191-L212 PolarHBondContact O-N 3.19Å; L212-W225 HydrophobicContact CB-CD2 4.33Å; L212-W225 HydrophobicContact CB-CE3 4Å; L212-W225 HydrophobicContact CB-CH2 3.94Å; L212-W225 HydrophobicContact CB-CZ2 4.24Å; L212-W225 HydrophobicContact CB-CZ3 3.81Å; L212-W225 HydrophobicContact CD1-CD2 4.07Å; L212-W225 HydrophobicContact CD1-CG 4.33Å; L212-W225 HydrophobicContact CD1-CZ2 4.26Å
213	V	88.8	Confident	86.2	Confident	12 Å²	12	63 Å²	63	7%	0.073	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.6	179.5	-61	0	0	0	0	110	I167 L211 I215 S223 K224 K226	I167-V213 HydrophobicContact CD1-CB 4.38Å; I167-V213 HydrophobicContact CD1-CG1 3.67Å; I167-V213 HydrophobicContact CG1-CG1 4.42Å; L211-V213 HydrophobicContact CB-CG1 4.46Å; L211-V213 HydrophobicContact CD2-CG1 3.8Å; L211-V213 HydrophobicContact CG-CG1 3.88Å; L211-V213 PolarHBondContact O-N 2.93Å; V213-I215 HydrophobicContact CG2-CG1 4.35Å; V213-S223 CarbonylContact O-C 3.54Å; V213-S223 WeakPolarHBondContact O-CA 3.39Å; V213-K224 VanDerWaalsContact CG2-O 3.29Å; V213-K224 WeakPolarHBondContact CG2-O 3.28Å; V213-K224 PolarHBondContact N-O 3.04Å; V213-K224 PolarHBondContact O-N 3.43Å; V213-K226 HydrophobicContact CG1-CB 4.17Å; V213-K226 HydrophobicContact CG1-CD 4.35Å; V213-K226 HydrophobicContact CG2-CB 3.96Å
214	S	85.7	Confident	86.1	Confident	68 Å²	68	67 Å²	67	48%	0.476	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.3	172.7	-59.2	0	0	0	0	109.3	T222	S214-T222 CarbonylContact C-O 3.51Å; S214-T222 WeakPolarHBondContact CA-O 3.48Å
215	I	77.8	Confident	86	Confident	20 Å²	20	72 Å²	72	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.5	-177.6	-51.6	171.6	0	0	0	107	D165 V213 R217 T222 K224	D165-I215 HydrophobicContact CB-CD1 4.26Å; V213-I215 HydrophobicContact CG2-CG1 4.35Å; I215-R217 HydrophobicContact CG2-CG 3.96Å; I215-T222 PolarHBondContact N-O 2.78Å; I215-T222 PolarHBondContact O-N 3.33Å; I215-T222 PolarHBondContact O-OG1 2.95Å; I215-K224 HydrophobicContact CD1-CB 3.86Å; I215-K224 HydrophobicContact CD1-CD 4.09Å
216	R	78.4	Confident	85.9	Confident	217 Å²	217	72.4 Å²	72.4	82%	0.819	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.5	170.5	-72	-176.8	175.1	172.6	-1.6	109	I220 C221	R216-I220 WeakPolarHBondContact CA-O 3.49Å; R216-C221 HydrophobicContact CG-CB 4.37Å
217	R	72.7	Confident	85.8	Confident	115 Å²	115	75 Å²	75	43%	0.434	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.7	171.3	-70.4	-173.3	-178.8	176.2	-1.3	108.9	D165 I215 G219 I220	D165-R217 IonicContact OD1-CZ 3.64Å; D165-R217 IonicContact OD1-NE 3.88Å; D165-R217 IonicContact OD1-NH2 2.75Å; D165-R217 PolarHBondContact OD1-NH2 2.7Å; I215-R217 HydrophobicContact CG2-CG 3.96Å; R217-G219 PolarHBondContact O-N 3.24Å; R217-I220 PolarHBondContact N-O 3Å; R217-I220 WeakPolarHBondContact O-CB 3.28Å; R217-I220 PolarHBondContact O-N 2.97Å
218	H	78.1	Confident	85.8	Confident	192 Å²	192	73 Å²	73	89%	0.889	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.6	-178.6	-53.9	-72.9	0	0	0	113.6	I220	H218-I220 PolarHBondContact O-N 3.4Å; H218-I220 VanDerWaalsContact O-N 3.11Å
219	G	78.6	Confident	85.9	Confident	82 Å²	82	70.9 Å²	70.9	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-12.8	-176.9	0	0	0	0	0	115.2	R217	R217-G219 PolarHBondContact O-N 3.24Å
220	I	73	Confident	86	Confident	113 Å²	113	70.9 Å²	70.9	58%	0.579	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	122	178.5	-55.3	174.5	0	0	0	109.2	R216 R217 H218 T222	R216-I220 WeakPolarHBondContact CA-O 3.49Å; R217-I220 PolarHBondContact N-O 3Å; R217-I220 WeakPolarHBondContact O-CB 3.28Å; R217-I220 PolarHBondContact O-N 2.97Å; H218-I220 PolarHBondContact O-N 3.4Å; H218-I220 VanDerWaalsContact O-N 3.11Å; I220-T222 HydrophobicContact CG2-CG2 3.99Å
221	C	80.4	Confident	86	Confident	75 Å²	75	67.9 Å²	67.9	51%	0.507	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.6	173.1	-162.8	0	0	0	0	109.4	R216	R216-C221 HydrophobicContact CG-CB 4.37Å
222	T	85.4	Confident	86.1	Confident	70 Å²	70	68.1 Å²	68.1	43%	0.429	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154.3	174.5	61.1	0	0	0	0	109.5	S214 I215 I220	S214-T222 CarbonylContact C-O 3.51Å; S214-T222 WeakPolarHBondContact CA-O 3.48Å; I215-T222 PolarHBondContact N-O 2.78Å; I215-T222 PolarHBondContact O-N 3.33Å; I215-T222 PolarHBondContact O-OG1 2.95Å; I220-T222 HydrophobicContact CG2-CG2 3.99Å
223	S	87.6	Confident	86	Confident	70 Å²	70	66.5 Å²	66.5	49%	0.49	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.4	175.2	-63.3	0	0	0	0	110.5	V213	V213-S223 CarbonylContact O-C 3.54Å; V213-S223 WeakPolarHBondContact O-CA 3.39Å
224	K	89.6	Confident	85.9	Confident	118 Å²	118	67 Å²	67	51%	0.513	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143	-178.9	-176.8	178.6	174.5	-174.6	0	110.1	V213 I215 K226	V213-K224 VanDerWaalsContact CG2-O 3.29Å; V213-K224 WeakPolarHBondContact CG2-O 3.28Å; V213-K224 PolarHBondContact N-O 3.04Å; V213-K224 PolarHBondContact O-N 3.43Å; I215-K224 HydrophobicContact CD1-CB 3.86Å; I215-K224 HydrophobicContact CD1-CD 4.09Å; K224-K226 PolarHBondContact O-N 2.9Å
225	W	90.8	Very high	85.8	Confident	106 Å²	106	69.9 Å²	69.9	40%	0.402	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.2	169.8	-70	101.7	0	0	0	110.3	K191 I193 K210 L212	K191-W225 WeakPolarHBondContact O-CZ3 3.32Å; I193-W225 HydrophobicContact CB-CZ3 4.35Å; I193-W225 HydrophobicContact CD1-CD2 4.16Å; I193-W225 HydrophobicContact CD1-CE3 3.95Å; I193-W225 HydrophobicContact CD1-CH2 3.38Å; I193-W225 HydrophobicContact CD1-CZ2 3.62Å; I193-W225 HydrophobicContact CD1-CZ3 3.55Å; I193-W225 HydrophobicContact CG1-CE3 4.38Å; I193-W225 HydrophobicContact CG1-CH2 3.57Å; I193-W225 HydrophobicContact CG1-CZ2 4.3Å; I193-W225 HydrophobicContact CG1-CZ3 3.61Å; K210-W225 HydrophobicContact CB-CB 4.36Å; K210-W225 HydrophobicContact CB-CD2 4.36Å; K210-W225 HydrophobicContact CB-CE3 3.6Å; K210-W225 HydrophobicContact CB-CZ3 4.29Å; K210-W225 HydrophobicContact CD-CB 4.27Å; L212-W225 HydrophobicContact CB-CD2 4.33Å; L212-W225 HydrophobicContact CB-CE3 4Å; L212-W225 HydrophobicContact CB-CH2 3.94Å; L212-W225 HydrophobicContact CB-CZ2 4.24Å; L212-W225 HydrophobicContact CB-CZ3 3.81Å; L212-W225 HydrophobicContact CD1-CD2 4.07Å; L212-W225 HydrophobicContact CD1-CG 4.33Å; L212-W225 HydrophobicContact CD1-CZ2 4.26Å
226	K	90.6	Very high	86.2	Confident	44 Å²	44	76.1 Å²	76.1	19%	0.191	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.2	175.5	-177.7	171.7	-175.5	169.9	0	110	K210 L211 V213 K224 N291	K210-K226 CarbonylContact C-O 3.55Å; K210-K226 VanDerWaalsContact CA-O 3.22Å; K210-K226 WeakPolarHBondContact CA-O 3.44Å; L211-K226 PolarHBondContact N-O 3.46Å; L211-K226 PolarHBondContact O-N 3.32Å; V213-K226 HydrophobicContact CG1-CB 4.17Å; V213-K226 HydrophobicContact CG1-CD 4.35Å; V213-K226 HydrophobicContact CG2-CB 3.96Å; K224-K226 PolarHBondContact O-N 2.9Å; K226-N291 WeakPolarHBondContact CE-OD1 3.29Å
227	Q	90.3	Very high	86.7	Confident	59 Å²	59	66.2 Å²	66.2	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.1	175.5	-157.6	69	12.9	0	0	110.6	E208 G209 K210 N291	E208-Q227 PolarHBondContact OE1-NE2 2.95Å; G209-Q227 PolarHBondContact O-NE2 2.71Å; K210-Q227 VanDerWaalsContact CG-OE1 3.3Å; Q227-N291 PolarHBondContact O-N 3.26Å
228	V	91.7	Very high	87.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.1	-173.8	-65.2	0	0	0	0	111.4	G209 L211 I230 I264 I288 Y289	G209-V228 VanDerWaalsContact C-CG2 3.46Å; G209-V228 PolarHBondContact N-O 3.29Å; G209-V228 WeakPolarHBondContact O-CG2 3.45Å; G209-V228 PolarHBondContact O-N 3.47Å; L211-V228 HydrophobicContact CB-CG1 3.79Å; L211-V228 HydrophobicContact CB-CG2 4.21Å; V228-I230 HydrophobicContact CG2-CD1 4.27Å; V228-I230 HydrophobicContact CG2-CG1 3.92Å; V228-I264 HydrophobicContact CG1-CD1 3.88Å; V228-I288 HydrophobicContact CB-CG2 3.56Å; V228-I288 HydrophobicContact CG1-CG2 3.67Å; V228-I288 HydrophobicContact CG2-CG2 3.69Å; V228-Y289 VanDerWaalsContact CA-O 3.28Å; V228-Y289 WeakPolarHBondContact CA-O 3.41Å; V228-Y289 VanDerWaalsContact CB-O 3.26Å; V228-Y289 WeakPolarHBondContact CB-O 3.21Å
229	I	92.3	Very high	87.9	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.1	162.2	-75.3	-65.6	0	0	0	108.3	V198 L206 Y207 Y289 A292	V198-I229 HydrophobicContact CG2-CD1 4.09Å; L206-I229 HydrophobicContact CD1-CG2 3.33Å; L206-I229 HydrophobicContact CG-CG2 4.01Å; Y207-I229 CarbonylContact O-C 3.57Å; Y207-I229 WeakPolarHBondContact O-CA 3.34Å; Y207-I229 WeakPolarHBondContact O-CD1 3.47Å; I229-Y289 PolarHBondContact N-O 2.95Å; I229-Y289 PolarHBondContact O-N 3.18Å; I229-A292 HydrophobicContact CB-CB 4.29Å; I229-A292 HydrophobicContact CD1-CB 4.3Å; I229-A292 HydrophobicContact CG1-CB 3.29Å
230	I	93.3	Very high	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.3	-177.9	-50.1	168.3	0	0	0	108.2	I192 F194 L206 Y207 V228 T232 I286 L287 I288	I192-I230 HydrophobicContact CG2-CD1 3.55Å; F194-I230 HydrophobicContact CD1-CD1 3.97Å; F194-I230 HydrophobicContact CD1-CG2 4.41Å; F194-I230 HydrophobicContact CE1-CB 4.22Å; F194-I230 HydrophobicContact CE1-CD1 4.03Å; F194-I230 HydrophobicContact CE1-CG2 3.59Å; F194-I230 HydrophobicContact CG-CD1 4.28Å; F194-I230 HydrophobicContact CZ-CD1 4.4Å; F194-I230 HydrophobicContact CZ-CG2 4.01Å; L206-I230 WeakPolarHBondContact CA-O 3.19Å; Y207-I230 PolarHBondContact N-O 3.22Å; Y207-I230 PolarHBondContact O-N 2.93Å; V228-I230 HydrophobicContact CG2-CD1 4.27Å; V228-I230 HydrophobicContact CG2-CG1 3.92Å; I230-T232 HydrophobicContact CG2-CG2 3.85Å; I230-I286 HydrophobicContact CG2-CG2 3.32Å; I230-L287 CarbonylContact C-O 3.54Å; I230-L287 WeakPolarHBondContact CA-O 3.31Å; I230-I288 HydrophobicContact CG1-CG1 4.4Å; I230-I288 HydrophobicContact CG2-CG1 4.38Å
231	K	94.5	Very high	89.2	Confident	11 Å²	11	56.6 Å²	56.6	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.2	172.8	-69.1	-173	-174.4	171.8	0	108.7	L206 F245 L287 Y289 S364 D365 L368	L206-K231 HydrophobicContact CD1-CD 4.45Å; L206-K231 HydrophobicContact CD1-CG 3.49Å; L206-K231 VanDerWaalsContact CD1-CG 3.49Å; K231-F245 HydrophobicContact CB-CE2 3.8Å; K231-F245 HydrophobicContact CB-CZ 3.71Å; K231-F245 HydrophobicContact CD-CE2 4.28Å; K231-L287 HydrophobicContact CB-CB 4.39Å; K231-L287 PolarHBondContact N-O 2.88Å; K231-L287 PolarHBondContact O-N 3.21Å; K231-Y289 HydrophobicContact CB-CE2 4.04Å; K231-Y289 HydrophobicContact CD-CD2 4.26Å; K231-Y289 HydrophobicContact CD-CE2 3.5Å; K231-Y289 HydrophobicContact CG-CD2 4.13Å; K231-Y289 HydrophobicContact CG-CE2 3.7Å; K231-S364 PolarHBondContact NZ-OG 3.3Å; K231-S364 VanDerWaalsContact NZ-OG 3.12Å; K231-D365 PolarHBondContact NZ-O 3.06Å; K231-D365 IonicContact NZ-OD1 2.78Å; K231-D365 PolarHBondContact NZ-OD1 3.06Å; K231-D365 IonicContact NZ-OD2 2.67Å; K231-D365 PolarHBondContact NZ-OD2 3.22Å; K231-L368 HydrophobicContact CB-CD1 3.66Å; K231-L368 HydrophobicContact CB-CG 4.42Å; K231-L368 HydrophobicContact CD-CD1 4.04Å; K231-L368 HydrophobicContact CD-CG 4.19Å; K231-L368 HydrophobicContact CG-CD1 3.8Å; K231-L368 HydrophobicContact CG-CG 4.49Å
232	T	94.2	Very high	89.8	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.8	-178.1	61.2	0	0	0	0	111.7	F194 S204 Q205 Y207 I230 I286	F194-T232 HydrophobicContact CE1-CG2 3.75Å; F194-T232 HydrophobicContact CZ-CG2 4.3Å; S204-T232 VanDerWaalsContact CA-O 3.32Å; S204-T232 WeakPolarHBondContact CA-O 3.36Å; S204-T232 WeakPolarHBondContact CB-O 3.37Å; Q205-T232 PolarHBondContact N-O 3.26Å; Q205-T232 PolarHBondContact O-N 3.25Å; Q205-T232 PolarHBondContact O-OG1 2.99Å; Y207-T232 HydrophobicContact CD2-CG2 4.38Å; Y207-T232 HydrophobicContact CE2-CG2 4.47Å; Y207-T232 WeakPolarHBondContact CE2-OG1 3.36Å; I230-T232 HydrophobicContact CG2-CG2 3.85Å; T232-I286 HydrophobicContact CG2-CB 4.42Å; T232-I286 HydrophobicContact CG2-CG1 3.96Å; T232-I286 HydrophobicContact CG2-CG2 4.09Å
233	L	91.7	Very high	90	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.2	170	-62.5	176.7	0	0	0	109.5	F203 A237 V242 F245 Q284 P285 L368	F203-L233 HydrophobicContact CD2-CD2 4.03Å; F203-L233 HydrophobicContact CE2-CD2 4.34Å; L233-A237 HydrophobicContact CB-CB 3.9Å; L233-A237 HydrophobicContact CD1-CB 4.21Å; L233-A237 HydrophobicContact CD2-CB 4.27Å; L233-A237 HydrophobicContact CG-CB 4.36Å; L233-V242 HydrophobicContact CD1-CB 4.14Å; L233-V242 HydrophobicContact CD1-CG1 4.49Å; L233-V242 HydrophobicContact CD1-CG2 3.67Å; L233-F245 HydrophobicContact CD1-CB 3.96Å; L233-F245 HydrophobicContact CD1-CD1 3.54Å; L233-F245 HydrophobicContact CD1-CE1 4.3Å; L233-F245 HydrophobicContact CD1-CG 3.97Å; L233-F245 HydrophobicContact CD2-CB 4.43Å; L233-F245 HydrophobicContact CD2-CD1 4.33Å; L233-F245 HydrophobicContact CD2-CG 4.24Å; L233-F245 HydrophobicContact CG-CD1 3.76Å; L233-F245 HydrophobicContact CG-CE1 4.12Å; L233-F245 HydrophobicContact CG-CG 4.17Å; L233-Q284 VanDerWaalsContact CB-OE1 3.29Å; L233-P285 HydrophobicContact CD1-CG 4.35Å; L233-L368 HydrophobicContact CD2-CD2 3.82Å
234	T	87.9	Confident	90.1	Very high	22 Å²	22	54.5 Å²	54.5	14%	0.135	27%	0.267	C	S	.	.			trans	-88	171.9	173.7	68.1	0	0	0	0	110.4	F203 Q205 K236 A237	F203-T234 WeakPolarHBondContact CA-OG1 3.21Å; F203-T234 PolarHBondContact O-N 3.39Å; F203-T234 PolarHBondContact O-OG1 3.5Å; Q205-T234 HydrophobicContact CG-CG2 4.12Å; T234-K236 PolarHBondContact O-N 3.42Å; T234-K236 VanDerWaalsContact O-N 3.07Å; T234-K236 PolarHBondContact OG1-N 2.95Å; T234-A237 WeakPolarHBondContact O-CB 3.35Å; T234-A237 PolarHBondContact O-N 3.04Å; T234-A237 VanDerWaalsContact O-N 3.12Å
235	E	82.8	Confident	90.2	Very high	129 Å²	129	49 Å²	49	60%	0.603	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.9	174.2	63.4	-90.6	-167	0	0	114.5	A237 V271	E235-A237 VanDerWaalsContact C-N 3.27Å; E235-A237 PolarHBondContact O-N 3.1Å; E235-V271 HydrophobicContact CB-CG1 3.67Å
236	K	85.8	Confident	90.2	Very high	150 Å²	150	46.1 Å²	46.1	65%	0.652	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.4	178.4	-60.5	-178.5	179.9	-179.8	0	113.3	F203 T234 T238	F203-K236 HydrophobicContact CB-CB 4.27Å; T234-K236 PolarHBondContact O-N 3.42Å; T234-K236 VanDerWaalsContact O-N 3.07Å; T234-K236 PolarHBondContact OG1-N 2.95Å; K236-T238 PolarHBondContact O-N 3.3Å
237	A	88.7	Confident	90.2	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	24%	0.239	C	C	.	.			trans	-69.3	127.1	-176.7	0	0	0	0	0	111.4	F203 L233 T234 E235 Q241 V242	F203-A237 HydrophobicContact CB-CB 4.18Å; F203-A237 HydrophobicContact CD2-CB 4.17Å; L233-A237 HydrophobicContact CB-CB 3.9Å; L233-A237 HydrophobicContact CD1-CB 4.21Å; L233-A237 HydrophobicContact CD2-CB 4.27Å; L233-A237 HydrophobicContact CG-CB 4.36Å; T234-A237 WeakPolarHBondContact O-CB 3.35Å; T234-A237 PolarHBondContact O-N 3.04Å; T234-A237 VanDerWaalsContact O-N 3.12Å; E235-A237 VanDerWaalsContact C-N 3.27Å; E235-A237 PolarHBondContact O-N 3.1Å; A237-Q241 VanDerWaalsContact CA-OE1 3.28Å; A237-V242 HydrophobicContact CB-CG2 4.29Å
238	T	88.4	Confident	90.2	Very high	73 Å²	73	44.8 Å²	44.8	45%	0.448	23%	0.23	S	C	.	.			trans	-72.1	160.8	175.3	71	0	0	0	0	111.3	K236 E240 Q241 V242	K236-T238 PolarHBondContact O-N 3.3Å; T238-E240 PolarHBondContact O-N 2.52Å; T238-Q241 WeakPolarHBondContact O-CB 3.39Å; T238-Q241 PolarHBondContact O-N 2.94Å; T238-Q241 VanDerWaalsContact O-N 3.08Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.5Å; T238-Q241 PolarHBondContact OG1-N 3.44Å; T238-Q241 PolarHBondContact OG1-OE1 3.23Å; T238-V242 WeakPolarHBondContact O-CG2 3.32Å; T238-V242 PolarHBondContact O-N 3.33Å
239	A	87.9	Confident	90.1	Very high	88 Å²	88	44.9 Å²	44.9	73%	0.727	23%	0.231	S	C	*	.	H	α-helix	trans	-56.3	-36.3	176.4	0	0	0	0	0	112.7	V242 R243	A239-V242 PolarHBondContact O-N 2.87Å; A239-R243 WeakPolarHBondContact O-CB 3.36Å; A239-R243 PolarHBondContact O-N 3.33Å
240	E	88.4	Confident	90	Very high	88 Å²	88	45.4 Å²	45.4	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-68	-41.2	176.7	178.7	56	-163.2	0	0	112	T238 V242 R243 L244	T238-E240 PolarHBondContact O-N 2.52Å; E240-V242 VanDerWaalsContact C-N 3.33Å; E240-V242 PolarHBondContact O-N 2.95Å; E240-R243 WeakPolarHBondContact O-CB 3.46Å; E240-R243 PolarHBondContact O-N 2.74Å; E240-R243 IonicContact OE1-CZ 3.7Å; E240-R243 IonicContact OE1-NE 2.69Å; E240-R243 IonicContact OE1-NH2 2.91Å; E240-R243 PolarHBondContact OE1-NH2 3.49Å; E240-R243 IonicContact OE2-CZ 2.94Å; E240-R243 IonicContact OE2-NE 3.4Å; E240-R243 PolarHBondContact OE2-NE 2.91Å; E240-R243 IonicContact OE2-NH2 3.96Å; E240-R243 PolarHBondContact OE2-NH2 3.16Å; E240-L244 HydrophobicContact CG-CD1 4.16Å; E240-L244 WeakPolarHBondContact O-CG 3.33Å; E240-L244 PolarHBondContact O-N 3.22Å
241	Q	91.9	Very high	89.5	Confident	51 Å²	51	49 Å²	49	24%	0.238	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-39.6	174.3	-71.4	164.6	-15	0	0	111.5	F203 A237 T238 R243 F245	F203-Q241 VanDerWaalsContact CD1-NE2 3.35Å; F203-Q241 HydrophobicContact CD2-CB 4.21Å; F203-Q241 HydrophobicContact CD2-CG 4.29Å; F203-Q241 HydrophobicContact CE1-CG 4.26Å; F203-Q241 HydrophobicContact CE2-CB 3.86Å; F203-Q241 HydrophobicContact CE2-CG 3.81Å; F203-Q241 HydrophobicContact CZ-CB 4.34Å; F203-Q241 HydrophobicContact CZ-CG 3.77Å; A237-Q241 VanDerWaalsContact CA-OE1 3.28Å; T238-Q241 WeakPolarHBondContact O-CB 3.39Å; T238-Q241 PolarHBondContact O-N 2.94Å; T238-Q241 VanDerWaalsContact O-N 3.08Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.5Å; T238-Q241 PolarHBondContact OG1-N 3.44Å; T238-Q241 PolarHBondContact OG1-OE1 3.23Å; Q241-R243 VanDerWaalsContact C-N 3.35Å; Q241-F245 VanDerWaalsContact O-CB 3.23Å; Q241-F245 WeakPolarHBondContact O-CB 3.01Å; Q241-F245 PolarHBondContact O-N 3.39Å
242	V	91.1	Very high	88.9	Confident	13 Å²	13	48.7 Å²	48.7	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-43.4	173.9	175.4	0	0	0	0	111.1	L233 A237 T238 A239 E240 F245 K246 P285	L233-V242 HydrophobicContact CD1-CB 4.14Å; L233-V242 HydrophobicContact CD1-CG1 4.49Å; L233-V242 HydrophobicContact CD1-CG2 3.67Å; A237-V242 HydrophobicContact CB-CG2 4.29Å; T238-V242 WeakPolarHBondContact O-CG2 3.32Å; T238-V242 PolarHBondContact O-N 3.33Å; A239-V242 PolarHBondContact O-N 2.87Å; E240-V242 VanDerWaalsContact C-N 3.33Å; E240-V242 PolarHBondContact O-N 2.95Å; V242-F245 PolarHBondContact O-N 2.82Å; V242-K246 WeakPolarHBondContact O-CG 3.43Å; V242-K246 PolarHBondContact O-N 3.25Å; V242-K246 VanDerWaalsContact O-N 3.15Å; V242-P285 HydrophobicContact CG1-CG 4.34Å
243	R	89.8	Confident	88.3	Confident	113 Å²	113	49.6 Å²	49.6	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-49.8	178.4	-170	-170.3	70	79.7	0.3	111.5	A239 E240 Q241 F245 K246 N247	A239-R243 WeakPolarHBondContact O-CB 3.36Å; A239-R243 PolarHBondContact O-N 3.33Å; E240-R243 WeakPolarHBondContact O-CB 3.46Å; E240-R243 PolarHBondContact O-N 2.74Å; E240-R243 IonicContact OE1-CZ 3.7Å; E240-R243 IonicContact OE1-NE 2.69Å; E240-R243 IonicContact OE1-NH2 2.91Å; E240-R243 PolarHBondContact OE1-NH2 3.49Å; E240-R243 IonicContact OE2-CZ 2.94Å; E240-R243 IonicContact OE2-NE 3.4Å; E240-R243 PolarHBondContact OE2-NE 2.91Å; E240-R243 IonicContact OE2-NH2 3.96Å; E240-R243 PolarHBondContact OE2-NH2 3.16Å; Q241-R243 VanDerWaalsContact C-N 3.35Å; R243-F245 VanDerWaalsContact C-N 3.32Å; R243-F245 PolarHBondContact O-N 3.21Å; R243-K246 PolarHBondContact O-N 3.08Å; R243-N247 PolarHBondContact NH1-ND2 2.9Å; R243-N247 VanDerWaalsContact NH1-ND2 3.17Å; R243-N247 WeakPolarHBondContact O-CB 3.44Å; R243-N247 VanDerWaalsContact O-CG 3.28Å; R243-N247 PolarHBondContact O-N 3.47Å; R243-N247 PolarHBondContact O-OD1 3.17Å
244	L	89.9	Confident	87.8	Confident	46 Å²	46	50.9 Å²	50.9	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-41.8	177.1	-70.6	170.1	0	0	0	111.5	E240 K246 N247 D248	E240-L244 HydrophobicContact CG-CD1 4.16Å; E240-L244 WeakPolarHBondContact O-CG 3.33Å; E240-L244 PolarHBondContact O-N 3.22Å; L244-K246 PolarHBondContact O-N 3.23Å; L244-N247 PolarHBondContact O-N 3.22Å; L244-D248 WeakPolarHBondContact O-CB 3.34Å; L244-D248 PolarHBondContact O-N 3.05Å
245	F	92.6	Very high	87.7	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-45.6	178.1	176.9	-122.8	0	0	0	112.3	K231 L233 Q241 V242 R243 A249 P285 L287 A367 L368	K231-F245 HydrophobicContact CB-CE2 3.8Å; K231-F245 HydrophobicContact CB-CZ 3.71Å; K231-F245 HydrophobicContact CD-CE2 4.28Å; L233-F245 HydrophobicContact CD1-CB 3.96Å; L233-F245 HydrophobicContact CD1-CD1 3.54Å; L233-F245 HydrophobicContact CD1-CE1 4.3Å; L233-F245 HydrophobicContact CD1-CG 3.97Å; L233-F245 HydrophobicContact CD2-CB 4.43Å; L233-F245 HydrophobicContact CD2-CD1 4.33Å; L233-F245 HydrophobicContact CD2-CG 4.24Å; L233-F245 HydrophobicContact CG-CD1 3.76Å; L233-F245 HydrophobicContact CG-CE1 4.12Å; L233-F245 HydrophobicContact CG-CG 4.17Å; Q241-F245 VanDerWaalsContact O-CB 3.23Å; Q241-F245 WeakPolarHBondContact O-CB 3.01Å; Q241-F245 PolarHBondContact O-N 3.39Å; V242-F245 PolarHBondContact O-N 2.82Å; R243-F245 VanDerWaalsContact C-N 3.32Å; R243-F245 PolarHBondContact O-N 3.21Å; F245-A249 WeakPolarHBondContact O-CB 3.35Å; F245-A249 PolarHBondContact O-N 2.91Å; F245-P285 HydrophobicContact CD1-CG 3.64Å; F245-P285 HydrophobicContact CE1-CB 4.26Å; F245-P285 HydrophobicContact CE1-CG 3.8Å; F245-L287 HydrophobicContact CD1-CD1 4.3Å; F245-L287 HydrophobicContact CD2-CD1 4.44Å; F245-L287 HydrophobicContact CE1-CD1 3.68Å; F245-L287 HydrophobicContact CE1-CG 3.68Å; F245-L287 HydrophobicContact CE2-CD1 3.8Å; F245-L287 HydrophobicContact CE2-CG 4.38Å; F245-L287 HydrophobicContact CZ-CB 4.04Å; F245-L287 HydrophobicContact CZ-CD1 3.39Å; F245-L287 HydrophobicContact CZ-CG 3.51Å; F245-A367 HydrophobicContact CD2-CB 3.58Å; F245-A367 HydrophobicContact CE2-CB 4.09Å; F245-A367 WeakPolarHBondContact O-CB 3.23Å; F245-L368 HydrophobicContact CD2-CD2 3.34Å; F245-L368 HydrophobicContact CD2-CG 3.88Å; F245-L368 HydrophobicContact CE2-CD1 4.16Å; F245-L368 HydrophobicContact CE2-CD2 3.52Å; F245-L368 HydrophobicContact CE2-CG 3.67Å; F245-L368 HydrophobicContact CG-CD2 4.18Å; F245-L368 HydrophobicContact CZ-CD2 4.42Å
246	K	91.5	Very high	87.9	Confident	46 Å²	46	51 Å²	51	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-47.4	175.9	-64.1	176.7	-167.4	175.3	0	111.6	P178 L182 V242 R243 L244 A249 C250 P285	P178-K246 HydrophobicContact CB-CB 4.03Å; L182-K246 HydrophobicContact CD1-CB 4.19Å; L182-K246 HydrophobicContact CD1-CD 4.26Å; L182-K246 HydrophobicContact CD1-CG 3.81Å; V242-K246 WeakPolarHBondContact O-CG 3.43Å; V242-K246 PolarHBondContact O-N 3.25Å; V242-K246 VanDerWaalsContact O-N 3.15Å; R243-K246 PolarHBondContact O-N 3.08Å; L244-K246 PolarHBondContact O-N 3.23Å; K246-A249 PolarHBondContact O-N 3.42Å; K246-C250 WeakPolarHBondContact O-CB 3.31Å; K246-C250 PolarHBondContact O-N 3.38Å; K246-C250 PolarHBondContact O-SG 3.35Å; K246-C250 VanDerWaalsContact O-SG 3.4Å; K246-P285 HydrophobicContact CG-CG 4.17Å
247	N	89.6	Confident	88.2	Confident	59 Å²	59	46 Å²	46	32%	0.316	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-50.4	-175.8	-74.4	12	0	0	0	111.9	P178 R243 L244 A249 C250 K251	P178-N247 WeakPolarHBondContact CG-OD1 3.37Å; R243-N247 PolarHBondContact NH1-ND2 2.9Å; R243-N247 VanDerWaalsContact NH1-ND2 3.17Å; R243-N247 WeakPolarHBondContact O-CB 3.44Å; R243-N247 VanDerWaalsContact O-CG 3.28Å; R243-N247 PolarHBondContact O-N 3.47Å; R243-N247 PolarHBondContact O-OD1 3.17Å; L244-N247 PolarHBondContact O-N 3.22Å; N247-A249 VanDerWaalsContact C-N 3.34Å; N247-A249 PolarHBondContact O-N 3.4Å; N247-C250 PolarHBondContact O-N 2.79Å; N247-K251 PolarHBondContact O-N 2.65Å
248	D	90.1	Very high	88.4	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-36.9	-178.4	-76.2	-31.7	0	0	0	111.5	L244 K251 D365 A367 R370	L244-D248 WeakPolarHBondContact O-CB 3.34Å; L244-D248 PolarHBondContact O-N 3.05Å; D248-K251 WeakPolarHBondContact O-CB 3.42Å; D248-K251 WeakPolarHBondContact OD1-CE 3.23Å; D248-K251 IonicContact OD1-NZ 2.69Å; D248-K251 PolarHBondContact OD1-NZ 3.07Å; D248-D365 WeakPolarHBondContact O-CB 3.43Å; D248-A367 HydrophobicContact CB-CB 3.77Å; D248-R370 IonicContact OD2-NH1 3.53Å; D248-R370 IonicContact OD2-NH2 3.92Å
249	A	89.6	Confident	88.7	Confident	1 Å²	1	46 Å²	46	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-71.2	-36.1	178.8	0	0	0	0	0	112.9	F245 K246 N247 K251 I263 L287 Y289 A367	F245-A249 WeakPolarHBondContact O-CB 3.35Å; F245-A249 PolarHBondContact O-N 2.91Å; K246-A249 PolarHBondContact O-N 3.42Å; N247-A249 VanDerWaalsContact C-N 3.34Å; N247-A249 PolarHBondContact O-N 3.4Å; A249-K251 VanDerWaalsContact C-N 3.26Å; A249-K251 PolarHBondContact O-N 3.15Å; A249-I263 HydrophobicContact CB-CD1 3.88Å; A249-L287 HydrophobicContact CB-CD1 3.24Å; A249-Y289 WeakPolarHBondContact CB-OH 3.38Å; A249-A367 HydrophobicContact CB-CB 4Å
250	C	89.4	Confident	88.9	Confident	13 Å²	13	42 Å²	42	9%	0.088	21%	0.214	C	C	.	.	H	α-helix	trans	-74.4	-11.4	-179.8	-74.3	0	0	0	0	114.2	P178 I181 K246 N247 F252 V253	P178-C250 HydrophobicContact CB-CB 3.91Å; P178-C250 HydrophobicContact CG-CB 4.14Å; I181-C250 HydrophobicContact CD1-CB 4.25Å; K246-C250 WeakPolarHBondContact O-CB 3.31Å; K246-C250 PolarHBondContact O-N 3.38Å; K246-C250 PolarHBondContact O-SG 3.35Å; K246-C250 VanDerWaalsContact O-SG 3.4Å; N247-C250 PolarHBondContact O-N 2.79Å; C250-F252 PolarHBondContact O-N 2.86Å; C250-F252 VanDerWaalsContact O-N 3.12Å; C250-V253 HydrophobicContact CB-CG2 4.05Å; C250-V253 WeakPolarHBondContact O-CB 3.36Å; C250-V253 WeakPolarHBondContact O-CG2 3.43Å; C250-V253 PolarHBondContact O-N 3.29Å; C250-V253 VanDerWaalsContact O-N 3.11Å
251	K	84.3	Confident	89	Confident	75 Å²	75	37.9 Å²	37.9	33%	0.326	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.5	175.3	-75.3	176.1	171.1	172.3	0	113.2	N247 D248 A249 E346	N247-K251 PolarHBondContact O-N 2.65Å; D248-K251 WeakPolarHBondContact O-CB 3.42Å; D248-K251 WeakPolarHBondContact OD1-CE 3.23Å; D248-K251 IonicContact OD1-NZ 2.69Å; D248-K251 PolarHBondContact OD1-NZ 3.07Å; A249-K251 VanDerWaalsContact C-N 3.26Å; A249-K251 PolarHBondContact O-N 3.15Å; K251-E346 IonicContact NZ-OE2 2.65Å; K251-E346 PolarHBondContact NZ-OE2 2.96Å
252	F	82.3	Confident	88.8	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.022	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	14.3	-176.2	-53.6	-24.5	0	0	0	113.4	C250 G254 A255 S262 L338 V343 H345 D365	C250-F252 PolarHBondContact O-N 2.86Å; C250-F252 VanDerWaalsContact O-N 3.12Å; F252-G254 PolarHBondContact O-N 3.38Å; F252-A255 HydrophobicContact CB-CB 4.23Å; F252-A255 WeakPolarHBondContact O-CB 3.45Å; F252-A255 PolarHBondContact O-N 3.23Å; F252-S262 PolarHBondContact O-OG 3.25Å; F252-L338 HydrophobicContact CD1-CD1 4.45Å; F252-L338 HydrophobicContact CD1-CD2 3.79Å; F252-L338 HydrophobicContact CE1-CD1 3.9Å; F252-L338 HydrophobicContact CE1-CD2 4Å; F252-L338 HydrophobicContact CG-CD2 4.45Å; F252-L338 HydrophobicContact CZ-CD1 4.01Å; F252-V343 HydrophobicContact CD1-CG1 4.1Å; F252-V343 HydrophobicContact CE1-CG1 3.83Å; F252-H345 AromaticContact CE2-CD2 3.79Å; F252-H345 AromaticContact CE2-NE2 3.72Å; F252-H345 HydrophobicContact CZ-CB 4.44Å; F252-H345 AromaticContact CZ-CD2 3.31Å; F252-H345 WeakPolarHBondContact CZ-CD2 3.38Å; F252-H345 AromaticContact CZ-CG 3.82Å; F252-H345 AromaticContact CZ-NE2 3.64Å; F252-D365 HydrophobicContact CD2-CB 4.09Å; F252-D365 HydrophobicContact CE2-CB 4.03Å
253	V	80.8	Confident	88.8	Confident	30 Å²	30	35.8 Å²	35.8	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	132.1	175.9	160	0	0	0	0	109.7	I171 I181 M185 C250 A255 I263	I171-V253 HydrophobicContact CD1-CG1 3.78Å; I171-V253 HydrophobicContact CG1-CG1 4.48Å; I171-V253 HydrophobicContact CG2-CG1 4.04Å; I181-V253 HydrophobicContact CD1-CG1 4.39Å; I181-V253 HydrophobicContact CG2-CB 4Å; I181-V253 HydrophobicContact CG2-CG1 3.49Å; I181-V253 VanDerWaalsContact CG2-CG1 3.49Å; I181-V253 HydrophobicContact CG2-CG2 3.52Å; M185-V253 HydrophobicContact CE-CB 4.43Å; M185-V253 HydrophobicContact CE-CG1 3.66Å; M185-V253 HydrophobicContact CE-CG2 4.16Å; C250-V253 HydrophobicContact CB-CG2 4.05Å; C250-V253 WeakPolarHBondContact O-CB 3.36Å; C250-V253 WeakPolarHBondContact O-CG2 3.43Å; C250-V253 PolarHBondContact O-N 3.29Å; C250-V253 VanDerWaalsContact O-N 3.11Å; V253-A255 PolarHBondContact O-N 3.42Å; V253-I263 HydrophobicContact CG2-CD1 4.22Å
254	G	80	Confident	88.8	Confident	39 Å²	39	31.5 Å²	31.5	40%	0.402	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-8.3	-177.4	0	0	0	0	0	114.7	F252 K256	F252-G254 PolarHBondContact O-N 3.38Å; G254-K256 PolarHBondContact O-N 2.64Å; G254-K256 VanDerWaalsContact O-N 3.14Å
255	A	86	Confident	89	Confident	11 Å²	11	29.4 Å²	29.4	9%	0.091	16%	0.16	C	C	.	.			trans	-63.9	114	173.8	0	0	0	0	0	110.4	F252 V253 I260 Y337	F252-A255 HydrophobicContact CB-CB 4.23Å; F252-A255 WeakPolarHBondContact O-CB 3.45Å; F252-A255 PolarHBondContact O-N 3.23Å; V253-A255 PolarHBondContact O-N 3.42Å; A255-I260 HydrophobicContact CB-CD1 4.43Å; A255-I260 HydrophobicContact CB-CG2 4.21Å; A255-Y337 HydrophobicContact CB-CE1 3.92Å
256	K	87.4	Confident	89.1	Confident	143 Å²	143	29.5 Å²	29.5	62%	0.622	16%	0.161	S	C	*	.			trans	-109.1	92.8	-179.9	-69.6	-175.2	-177.9	-173.2	0	109.9	G254 Y337	G254-K256 PolarHBondContact O-N 2.64Å; G254-K256 VanDerWaalsContact O-N 3.14Å; K256-Y337 PolarHBondContact N-OH 2.68Å
257	H	91.9	Very high	89.2	Confident	45 Å²	45	27.6 Å²	27.6	21%	0.208	15%	0.154	C	C	.	.			trans	-146.8	141.3	176.3	-173.9	-101.7	0	0	0	111.4	H259 I260 S333 Y337	H257-H259 AromaticContact CE1-CD2 3.95Å; H257-H259 PolarHBondContact ND1-N 3.25Å; H257-H259 VanDerWaalsContact ND1-N 3.16Å; H257-H259 PolarHBondContact O-N 3.13Å; H257-H259 VanDerWaalsContact O-N 3.14Å; H257-I260 HydrophobicContact CB-CB 4.06Å; H257-I260 HydrophobicContact CB-CD1 3.76Å; H257-I260 HydrophobicContact CB-CG1 3.87Å; H257-I260 PolarHBondContact O-N 3.4Å; H257-S333 PolarHBondContact CE1-OG 2.86Å; H257-S333 PolarHBondContact NE2-OG 2.94Å; H257-Y337 HydrophobicContact CB-CD1 3.93Å; H257-Y337 HydrophobicContact CB-CD2 4.24Å; H257-Y337 HydrophobicContact CB-CE1 4.17Å; H257-Y337 HydrophobicContact CB-CE2 4.48Å; H257-Y337 HydrophobicContact CB-CG 3.93Å
258	S	92.6	Very high	89.1	Confident	57 Å²	57	26.7 Å²	26.7	40%	0.399	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	-174.9	63.6	0	0	0	0	113.6	K356	S258-K356 PolarHBondContact O-NZ 2.8Å
259	H	95.2	Very high	88.6	Confident	24 Å²	24	28.2 Å²	28.2	11%	0.111	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	18.6	177	-58.8	-70.3	0	0	0	113.5	H257 Q330 A334 V361 A362 L363	H257-H259 AromaticContact CE1-CD2 3.95Å; H257-H259 PolarHBondContact ND1-N 3.25Å; H257-H259 VanDerWaalsContact ND1-N 3.16Å; H257-H259 PolarHBondContact O-N 3.13Å; H257-H259 VanDerWaalsContact O-N 3.14Å; H259-Q330 HydrophobicContact CB-CB 4.42Å; H259-Q330 WeakPolarHBondContact CB-O 3.49Å; H259-Q330 VanDerWaalsContact CE1-CD 3.47Å; H259-Q330 WeakPolarHBondContact CE1-CG 3.18Å; H259-Q330 PolarHBondContact CE1-OE1 2.85Å; H259-Q330 PolarHBondContact ND1-OE1 2.97Å; H259-A334 HydrophobicContact CB-CB 4.13Å; H259-A334 VanDerWaalsContact O-CB 3.24Å; H259-A334 WeakPolarHBondContact O-CB 3.2Å; H259-V361 PolarHBondContact ND1-O 3.33Å; H259-A362 CarbonylContact O-C 3.47Å; H259-A362 WeakPolarHBondContact O-CA 3.15Å; H259-L363 PolarHBondContact O-N 3.37Å
260	I	92.7	Very high	87.7	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141	166	-66.4	176.9	0	0	0	108.7	A255 H257 A334 Y337 L338 K356 L363	A255-I260 HydrophobicContact CB-CD1 4.43Å; A255-I260 HydrophobicContact CB-CG2 4.21Å; H257-I260 HydrophobicContact CB-CB 4.06Å; H257-I260 HydrophobicContact CB-CD1 3.76Å; H257-I260 HydrophobicContact CB-CG1 3.87Å; H257-I260 PolarHBondContact O-N 3.4Å; I260-A334 HydrophobicContact CG1-CB 3.79Å; I260-Y337 HydrophobicContact CD1-CD1 3.29Å; I260-Y337 HydrophobicContact CD1-CE1 3.87Å; I260-Y337 HydrophobicContact CD1-CG 4.19Å; I260-L338 HydrophobicContact CD1-CD2 3.72Å; I260-L338 HydrophobicContact CD1-CG 3.83Å; I260-K356 PolarHBondContact O-NZ 3.48Å; I260-L363 CarbonylContact C-O 3.28Å; I260-L363 WeakPolarHBondContact CA-O 3.24Å
261	A	91.3	Very high	86.5	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	91.2	170.7	0	0	0	0	0	108.2	Y289 L354 A362 L363	A261-Y289 HydrophobicContact CB-CD1 4.47Å; A261-Y289 WeakPolarHBondContact O-CD1 3.43Å; A261-L354 HydrophobicContact CB-CD1 3.89Å; A261-A362 HydrophobicContact CB-CB 4.17Å; A261-L363 PolarHBondContact N-O 3.04Å
262	S	87.1	Confident	85.4	Confident	15 Å²	15	34.1 Å²	34.1	11%	0.105	21%	0.211	C	C	.	.			trans	-94.2	158.5	174.8	-170.8	0	0	0	0	111.4	F252 I264	F252-S262 PolarHBondContact O-OG 3.25Å; S262-I264 PolarHBondContact O-N 2.97Å
263	I	91.2	Very high	84.4	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	128.3	173.5	-54.8	172.1	0	0	0	108.1	L182 M185 A249 V253 A265 L287 I288 Y289	L182-I263 HydrophobicContact CD2-CD1 3.99Å; M185-I263 HydrophobicContact SD-CB 4.26Å; M185-I263 HydrophobicContact SD-CG2 3.82Å; A249-I263 HydrophobicContact CB-CD1 3.88Å; V253-I263 HydrophobicContact CG2-CD1 4.22Å; I263-A265 VanDerWaalsContact CG2-O 3.24Å; I263-A265 WeakPolarHBondContact CG2-O 3.41Å; I263-L287 HydrophobicContact CD1-CD1 4.12Å; I263-L287 HydrophobicContact CD1-CD2 4.41Å; I263-I288 WeakPolarHBondContact CA-O 3.47Å; I263-Y289 HydrophobicContact CG1-CE1 3.8Å; I263-Y289 HydrophobicContact CG1-CE2 4.44Å
264	I	90.5	Very high	83.3	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-16.2	175.6	60.7	162	0	0	0	113.3	I167 L169 L211 V228 S262 I288	I167-I264 HydrophobicContact CD1-CD1 4.27Å; L169-I264 WeakPolarHBondContact CD1-O 3.46Å; L211-I264 HydrophobicContact CD2-CD1 3.79Å; L211-I264 HydrophobicContact CD2-CG1 4.3Å; V228-I264 HydrophobicContact CG1-CD1 3.88Å; S262-I264 PolarHBondContact O-N 2.97Å; I264-I288 HydrophobicContact CD1-CG2 4.43Å; I264-I288 HydrophobicContact CG1-CG2 4.2Å; I264-I288 WeakPolarHBondContact CG1-O 3.38Å; I264-I288 PolarHBondContact N-O 2.86Å
265	A	93.2	Very high	82.1	Confident	2 Å²	2	41.1 Å²	41.1	2%	0.017	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	156.8	174.6	0	0	0	0	0	108.8	V187 L211 I263 I288	V187-A265 HydrophobicContact CG1-CB 3.85Å; V187-A265 HydrophobicContact CG2-CB 3.92Å; L211-A265 HydrophobicContact CD1-CB 4.39Å; L211-A265 HydrophobicContact CD2-CB 3.88Å; I263-A265 VanDerWaalsContact CG2-O 3.24Å; I263-A265 WeakPolarHBondContact CG2-O 3.41Å; A265-I288 HydrophobicContact CB-CB 4.14Å; A265-I288 HydrophobicContact CB-CD1 4.05Å; A265-I288 PolarHBondContact N-O 3.1Å; A265-I288 WeakPolarHBondContact O-CB 3.47Å; A265-I288 VanDerWaalsContact O-CD1 3.23Å; A265-I288 WeakPolarHBondContact O-CD1 3.5Å; A265-I288 PolarHBondContact O-N 2.82Å
266	A	93.8	Very high	80.7	Confident	3 Å²	3	50 Å²	50	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.8	171.4	0	0	0	0	0	109.7	L182 M185 H186 V187 I286 L287	L182-A266 HydrophobicContact CB-CB 4.1Å; L182-A266 HydrophobicContact CD2-CB 3.86Å; M185-A266 HydrophobicContact CB-CB 4.19Å; M185-A266 PolarHBondContact O-N 3.24Å; H186-A266 CarbonylContact C-O 3.59Å; H186-A266 VanDerWaalsContact CA-O 3.27Å; H186-A266 WeakPolarHBondContact CA-O 3.15Å; V187-A266 PolarHBondContact N-O 3.28Å; A266-I286 CarbonylContact C-O 3.47Å; A266-I286 VanDerWaalsContact CA-O 3.3Å; A266-I286 WeakPolarHBondContact CA-O 3.47Å; A266-L287 HydrophobicContact CB-CD2 4.13Å
267	S	93.7	Very high	79.3	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	-176.4	166.9	-157.3	0	0	0	0	108.3	V187 L189 I286	V187-S267 WeakPolarHBondContact O-CB 3.39Å; V187-S267 PolarHBondContact O-OG 3.37Å; L189-S267 WeakPolarHBondContact CD2-OG 3.5Å; S267-I286 PolarHBondContact N-O 3.15Å; S267-I286 PolarHBondContact O-N 2.8Å
268	S	88.5	Confident	77.7	Confident	41 Å²	41	51.6 Å²	51.6	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.1	173.6	57.7	0	0	0	0	110.6	S283 Q284	S268-S283 WeakPolarHBondContact CB-OG 3.36Å; S268-Q284 CarbonylContact C-O 3.57Å; S268-Q284 VanDerWaalsContact CA-O 3.26Å; S268-Q284 WeakPolarHBondContact CA-O 3.36Å
269	T	79.9	Confident	76	Confident	49 Å²	49	57.1 Å²	57.1	30%	0.301	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153.6	167.1	60.9	0	0	0	0	109	L189 S283 Q284 I286	L189-T269 HydrophobicContact CD1-CG2 4.35Å; L189-T269 HydrophobicContact CD2-CG2 4.42Å; T269-S283 CarbonylContact O-C 3.56Å; T269-S283 VanDerWaalsContact O-CA 3.32Å; T269-S283 WeakPolarHBondContact O-CA 3.45Å; T269-Q284 PolarHBondContact N-O 2.59Å; T269-Q284 PolarHBondContact O-N 3.06Å; T269-I286 HydrophobicContact CG2-CD1 3.56Å; T269-I286 HydrophobicContact CG2-CG1 4.41Å
270	S	70.6	Confident	74.4	Confident	93 Å²	93	62.2 Å²	62.2	65%	0.65	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.2	172.2	-61.5	0	0	0	0	108.2
271	V	63.9	Low	73	Confident	28 Å²	28	67.5 Å²	67.5	17%	0.17	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.4	175.6	179.8	0	0	0	0	107.8	E235 V273 I282 Q284	E235-V271 HydrophobicContact CB-CG1 3.67Å; V271-V273 HydrophobicContact CG1-CG2 4.2Å; V271-V273 PolarHBondContact O-N 2.89Å; V271-I282 PolarHBondContact N-O 2.97Å; V271-I282 PolarHBondContact O-N 2.93Å; V271-Q284 HydrophobicContact CB-CG 4.48Å; V271-Q284 HydrophobicContact CG2-CB 4.45Å; V271-Q284 HydrophobicContact CG2-CG 3.82Å
272	C	61.7	Low	72	Confident	91 Å²	91	70.1 Å²	70.1	62%	0.615	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.9	169.4	-63.8	0	0	0	0	108.5
273	V	60.7	Low	71.5	Confident	55 Å²	55	72.3 Å²	72.3	33%	0.333	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.5	171.1	-176.2	0	0	0	0	107.6	V271 S275 Q280 I282	V271-V273 HydrophobicContact CG1-CG2 4.2Å; V271-V273 PolarHBondContact O-N 2.89Å; V273-S275 PolarHBondContact O-N 3.27Å; V273-Q280 PolarHBondContact N-O 3.28Å; V273-Q280 PolarHBondContact O-N 3.46Å; V273-I282 HydrophobicContact CB-CD1 4.1Å; V273-I282 HydrophobicContact CB-CG1 4.47Å; V273-I282 HydrophobicContact CG2-CB 4.49Å; V273-I282 HydrophobicContact CG2-CD1 3.56Å; V273-I282 HydrophobicContact CG2-CG1 3.96Å
274	S	57.1	Low	71.1	Confident	102 Å²	102	72.2 Å²	72.2	71%	0.713	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	106.5	171.3	55.5	0	0	0	0	108.9
275	S	54.4	Low	71.1	Confident	65 Å²	65	71.5 Å²	71.5	46%	0.455	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.5	156.4	68	0	0	0	0	108.2	V273 S277 N278	V273-S275 PolarHBondContact O-N 3.27Å; S275-S277 PolarHBondContact O-N 3.05Å; S275-N278 PolarHBondContact N-O 3.04Å; S275-N278 PolarHBondContact O-N 3.34Å; S275-N278 VanDerWaalsContact O-N 3.13Å; S275-N278 PolarHBondContact OG-O 3.4Å
276	L	58.1	Low	71.2	Confident	197 Å²	197	71.6 Å²	71.6	100%	1.031	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-15.5	-169	-84.1	93.2	0	0	0	115.5
277	S	57.8	Low	71.2	Confident	105 Å²	105	71.5 Å²	71.5	73%	0.734	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-10.1	177.3	54.6	0	0	0	0	115.8	S275	S275-S277 PolarHBondContact O-N 3.05Å
278	N	57.4	Low	71.2	Confident	117 Å²	117	71.2 Å²	71.2	63%	0.626	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.5	125.3	-179.6	-82.8	-32.2	0	0	0	111.8	S275 Q280	S275-N278 PolarHBondContact N-O 3.04Å; S275-N278 PolarHBondContact O-N 3.34Å; S275-N278 VanDerWaalsContact O-N 3.13Å; S275-N278 PolarHBondContact OG-O 3.4Å; N278-Q280 PolarHBondContact O-N 3.16Å
279	Q	57.1	Low	71.4	Confident	172 Å²	172	69.3 Å²	69.3	80%	0.804	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	111.2	168.4	-67.9	-177.2	11	0	0	108.8
280	Q	61	Low	71.7	Confident	132 Å²	132	67.8 Å²	67.8	62%	0.617	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	126	176.4	-162.9	173.6	27.3	0	0	109.7	V273 N278 I282	V273-Q280 PolarHBondContact N-O 3.28Å; V273-Q280 PolarHBondContact O-N 3.46Å; N278-Q280 PolarHBondContact O-N 3.16Å; Q280-I282 HydrophobicContact CG-CG1 4.42Å
281	I	64	Low	71.6	Confident	116 Å²	116	67.2 Å²	67.2	60%	0.595	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	114	171.8	-58.8	178.7	0	0	0	107.8
282	I	69.8	Low	71.8	Confident	55 Å²	55	66 Å²	66	28%	0.282	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126	178	-52.9	-174	0	0	0	108.6	V271 V273 Q280 Q284	V271-I282 PolarHBondContact N-O 2.97Å; V271-I282 PolarHBondContact O-N 2.93Å; V273-I282 HydrophobicContact CB-CD1 4.1Å; V273-I282 HydrophobicContact CB-CG1 4.47Å; V273-I282 HydrophobicContact CG2-CB 4.49Å; V273-I282 HydrophobicContact CG2-CD1 3.56Å; V273-I282 HydrophobicContact CG2-CG1 3.96Å; Q280-I282 HydrophobicContact CG-CG1 4.42Å; I282-Q284 PolarHBondContact O-N 3.32Å
283	S	76.8	Confident	72.3	Confident	61 Å²	61	67.7 Å²	67.7	43%	0.427	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.1	173.6	-170.5	0	0	0	0	110.2	S268 T269	S268-S283 WeakPolarHBondContact CB-OG 3.36Å; T269-S283 CarbonylContact O-C 3.56Å; T269-S283 VanDerWaalsContact O-CA 3.32Å; T269-S283 WeakPolarHBondContact O-CA 3.45Å
284	Q	83.8	Confident	72.7	Confident	3 Å²	3	68.4 Å²	68.4	1%	0.014	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.6	176.3	-69	-65.5	-7.5	0	0	110	L233 S268 T269 V271 I282	L233-Q284 VanDerWaalsContact CB-OE1 3.29Å; S268-Q284 CarbonylContact C-O 3.57Å; S268-Q284 VanDerWaalsContact CA-O 3.26Å; S268-Q284 WeakPolarHBondContact CA-O 3.36Å; T269-Q284 PolarHBondContact N-O 2.59Å; T269-Q284 PolarHBondContact O-N 3.06Å; V271-Q284 HydrophobicContact CB-CG 4.48Å; V271-Q284 HydrophobicContact CG2-CB 4.45Å; V271-Q284 HydrophobicContact CG2-CG 3.82Å; I282-Q284 PolarHBondContact O-N 3.32Å
285	P	90.5	Very high	74	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.052	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	144.8	-179.7	29.3	-35.9	0	0	0	112.2	L233 V242 F245 K246	L233-P285 HydrophobicContact CD1-CG 4.35Å; V242-P285 HydrophobicContact CG1-CG 4.34Å; F245-P285 HydrophobicContact CD1-CG 3.64Å; F245-P285 HydrophobicContact CE1-CB 4.26Å; F245-P285 HydrophobicContact CE1-CG 3.8Å; K246-P285 HydrophobicContact CG-CG 4.17Å
286	I	94.4	Very high	75.8	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	169.9	-65.7	165.1	0	0	0	107.1	L189 F194 I230 T232 A266 S267 T269 I288	L189-I286 HydrophobicContact CD2-CD1 3.51Å; F194-I286 HydrophobicContact CZ-CD1 3.98Å; F194-I286 HydrophobicContact CZ-CG2 4.15Å; I230-I286 HydrophobicContact CG2-CG2 3.32Å; T232-I286 HydrophobicContact CG2-CB 4.42Å; T232-I286 HydrophobicContact CG2-CG1 3.96Å; T232-I286 HydrophobicContact CG2-CG2 4.09Å; A266-I286 CarbonylContact C-O 3.47Å; A266-I286 VanDerWaalsContact CA-O 3.3Å; A266-I286 WeakPolarHBondContact CA-O 3.47Å; S267-I286 PolarHBondContact N-O 3.15Å; S267-I286 PolarHBondContact O-N 2.8Å; T269-I286 HydrophobicContact CG2-CD1 3.56Å; T269-I286 HydrophobicContact CG2-CG1 4.41Å; I286-I288 HydrophobicContact CG2-CD1 3.98Å; I286-I288 HydrophobicContact CG2-CG1 4.33Å
287	L	94.6	Very high	77.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.3	-179.2	-55	-174	0	0	0	110.5	L182 I230 K231 F245 A249 I263 A266 Y289	L182-L287 HydrophobicContact CD1-CD2 3.86Å; L182-L287 HydrophobicContact CD2-CD2 3.4Å; L182-L287 VanDerWaalsContact CD2-CD2 3.4Å; L182-L287 HydrophobicContact CG-CD2 4.24Å; I230-L287 CarbonylContact C-O 3.54Å; I230-L287 WeakPolarHBondContact CA-O 3.31Å; K231-L287 HydrophobicContact CB-CB 4.39Å; K231-L287 PolarHBondContact N-O 2.88Å; K231-L287 PolarHBondContact O-N 3.21Å; F245-L287 HydrophobicContact CD1-CD1 4.3Å; F245-L287 HydrophobicContact CD2-CD1 4.44Å; F245-L287 HydrophobicContact CE1-CD1 3.68Å; F245-L287 HydrophobicContact CE1-CG 3.68Å; F245-L287 HydrophobicContact CE2-CD1 3.8Å; F245-L287 HydrophobicContact CE2-CG 4.38Å; F245-L287 HydrophobicContact CZ-CB 4.04Å; F245-L287 HydrophobicContact CZ-CD1 3.39Å; F245-L287 HydrophobicContact CZ-CG 3.51Å; A249-L287 HydrophobicContact CB-CD1 3.24Å; I263-L287 HydrophobicContact CD1-CD1 4.12Å; I263-L287 HydrophobicContact CD1-CD2 4.41Å; A266-L287 HydrophobicContact CB-CD2 4.13Å; L287-Y289 HydrophobicContact CB-CE2 3.71Å
288	I	93.9	Very high	79.2	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.6	-173.3	-56.4	93.9	0	0	0	110	I192 L211 V228 I230 I263 I264 A265 I286	I192-I288 HydrophobicContact CD1-CD1 3.81Å; I192-I288 HydrophobicContact CD1-CG1 4.29Å; L211-I288 HydrophobicContact CB-CG2 4.45Å; L211-I288 HydrophobicContact CD2-CG2 4.26Å; V228-I288 HydrophobicContact CB-CG2 3.56Å; V228-I288 HydrophobicContact CG1-CG2 3.67Å; V228-I288 HydrophobicContact CG2-CG2 3.69Å; I230-I288 HydrophobicContact CG1-CG1 4.4Å; I230-I288 HydrophobicContact CG2-CG1 4.38Å; I263-I288 WeakPolarHBondContact CA-O 3.47Å; I264-I288 HydrophobicContact CD1-CG2 4.43Å; I264-I288 HydrophobicContact CG1-CG2 4.2Å; I264-I288 WeakPolarHBondContact CG1-O 3.38Å; I264-I288 PolarHBondContact N-O 2.86Å; A265-I288 HydrophobicContact CB-CB 4.14Å; A265-I288 HydrophobicContact CB-CD1 4.05Å; A265-I288 PolarHBondContact N-O 3.1Å; A265-I288 WeakPolarHBondContact O-CB 3.47Å; A265-I288 VanDerWaalsContact O-CD1 3.23Å; A265-I288 WeakPolarHBondContact O-CD1 3.5Å; A265-I288 PolarHBondContact O-N 2.82Å; I286-I288 HydrophobicContact CG2-CD1 3.98Å; I286-I288 HydrophobicContact CG2-CG1 4.33Å
289	Y	92.4	Very high	80.8	Confident	1 Å²	1	43 Å²	43	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.6	-177	-64.2	-99.4	0	0	0	110.8	V228 I229 K231 A249 A261 I263 L287 D365	V228-Y289 VanDerWaalsContact CA-O 3.28Å; V228-Y289 WeakPolarHBondContact CA-O 3.41Å; V228-Y289 VanDerWaalsContact CB-O 3.26Å; V228-Y289 WeakPolarHBondContact CB-O 3.21Å; I229-Y289 PolarHBondContact N-O 2.95Å; I229-Y289 PolarHBondContact O-N 3.18Å; K231-Y289 HydrophobicContact CB-CE2 4.04Å; K231-Y289 HydrophobicContact CD-CD2 4.26Å; K231-Y289 HydrophobicContact CD-CE2 3.5Å; K231-Y289 HydrophobicContact CG-CD2 4.13Å; K231-Y289 HydrophobicContact CG-CE2 3.7Å; A249-Y289 WeakPolarHBondContact CB-OH 3.38Å; A261-Y289 HydrophobicContact CB-CD1 4.47Å; A261-Y289 WeakPolarHBondContact O-CD1 3.43Å; I263-Y289 HydrophobicContact CG1-CE1 3.8Å; I263-Y289 HydrophobicContact CG1-CE2 4.44Å; L287-Y289 HydrophobicContact CB-CE2 3.71Å; Y289-D365 WeakPolarHBondContact CE1-OD2 3.49Å; Y289-D365 PolarHBondContact OH-OD2 3.37Å
290	S	85.1	Confident	82.4	Confident	18 Å²	18	35.6 Å²	35.6	13%	0.126	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	148.9	179.8	68.7	0	0	0	0	113.9	A292	S290-A292 PolarHBondContact O-N 3.19Å
291	N	68.9	Low	83.8	Confident	81 Å²	81	29.4 Å²	29.4	43%	0.433	15%	0.152	S	C	.	.	S	Bend	trans	61.1	33.9	151	-66.2	12.2	0	0	0	117.2	K226 Q227 K356	K226-N291 WeakPolarHBondContact CE-OD1 3.29Å; Q227-N291 PolarHBondContact O-N 3.26Å; N291-K356 HydrophobicContact CB-CD 4.18Å; N291-K356 WeakPolarHBondContact O-CA 3.36Å; N291-K356 WeakPolarHBondContact O-CB 3.38Å; N291-K356 WeakPolarHBondContact O-CG 3.24Å
292	A	67.7	Low	85	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.137	C	C	.	.			trans	-110.2	124.1	171	0	0	0	0	0	110.9	I229 S290 L354	I229-A292 HydrophobicContact CB-CB 4.29Å; I229-A292 HydrophobicContact CD1-CB 4.3Å; I229-A292 HydrophobicContact CG1-CB 3.29Å; S290-A292 PolarHBondContact O-N 3.19Å; A292-L354 HydrophobicContact CB-CB 3.89Å; A292-L354 HydrophobicContact CB-CD1 4.06Å; A292-L354 HydrophobicContact CB-CG 4.49Å
293	K	72.8	Confident	85.6	Confident	127 Å²	127	29.1 Å²	29.1	55%	0.552	14%	0.142	S	C	*	.			trans	-118.3	-33.1	-172	-177.6	176.9	177.7	-179.5	0	113	L355 K356	K293-L355 PolarHBondContact N-O 2.87Å; K293-K356 WeakPolarHBondContact CB-O 3.3Å
294	Y	69.8	Low	85.6	Confident	70 Å²	70	28.2 Å²	28.2	28%	0.275	13%	0.129	S	C	.	.	S	Bend	trans	-108.2	17.8	-173.7	-61.8	-91.8	0	0	0	112.6	L355 C357 R358	Y294-L355 PolarHBondContact N-O 3.16Å; Y294-C357 VanDerWaalsContact CE2-CA 3.49Å; Y294-C357 HydrophobicContact CE2-CB 4.06Å; Y294-R358 HydrophobicContact CE1-CG 4.36Å
295	G	84.3	Confident	85	Confident	8 Å²	8	31 Å²	31	8%	0.082	15%	0.149	C	C	.	.			trans	72.9	-139.6	175.3	0	0	0	0	0	113.7	L355	G295-L355 PolarHBondContact O-N 2.79Å
296	N	91.5	Very high	83.6	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.032	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-91.4	138.8	-170.8	-178.3	-89	0	0	0	112.8	L199 K298 L299 F300 R351 F373	L199-N296 HydrophobicContact CD1-CB 4.25Å; N296-K298 WeakPolarHBondContact OD1-CB 3.49Å; N296-K298 PolarHBondContact OD1-N 3.48Å; N296-L299 HydrophobicContact CB-CB 4.41Å; N296-L299 HydrophobicContact CB-CD1 4.14Å; N296-L299 HydrophobicContact CB-CG 4.28Å; N296-L299 PolarHBondContact OD1-N 2.81Å; N296-F300 WeakPolarHBondContact O-CB 3.47Å; N296-F300 PolarHBondContact O-N 2.91Å; N296-R351 PolarHBondContact ND2-O 2.97Å; N296-F373 HydrophobicContact CB-CZ 4.41Å; N296-F373 WeakPolarHBondContact ND2-CZ 3.34Å; N296-F373 WeakPolarHBondContact OD1-CZ 3.38Å
297	L	93.8	Very high	81.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.9	-44.7	-177.5	178	62.7	0	0	0	113.4	L299 F300 L301 M327 I331 T350 C353 L355 V361 L417	L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.35Å; L297-F300 HydrophobicContact CD1-CD1 4.31Å; L297-F300 WeakPolarHBondContact O-CB 3.49Å; L297-F300 PolarHBondContact O-N 2.69Å; L297-F300 VanDerWaalsContact O-N 3.16Å; L297-L301 HydrophobicContact CD1-CD1 4.21Å; L297-L301 HydrophobicContact CD1-CD2 4.37Å; L297-L301 HydrophobicContact CD1-CG 4.06Å; L297-L301 HydrophobicContact CG-CD1 4.07Å; L297-L301 HydrophobicContact CG-CG 4.38Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.44Å; L297-L301 PolarHBondContact O-N 3.09Å; L297-M327 HydrophobicContact CD1-SD 4.05Å; L297-I331 HydrophobicContact CD2-CD1 4.03Å; L297-T350 WeakPolarHBondContact CB-O 3.49Å; L297-T350 HydrophobicContact CD2-CG2 4.32Å; L297-C353 HydrophobicContact CB-CB 3.7Å; L297-C353 WeakPolarHBondContact CB-O 3.48Å; L297-C353 HydrophobicContact CD2-CB 3.56Å; L297-C353 HydrophobicContact CG-CB 4.28Å; L297-C353 PolarHBondContact N-O 3.42Å; L297-L355 HydrophobicContact CB-CG 4.46Å; L297-L355 HydrophobicContact CD1-CD1 4.3Å; L297-L355 HydrophobicContact CD1-CD2 4.08Å; L297-L355 HydrophobicContact CD1-CG 4.28Å; L297-V361 HydrophobicContact CD1-CG1 3.94Å; L297-V361 HydrophobicContact CD2-CG1 3.88Å; L297-V361 HydrophobicContact CG-CG1 4.43Å; L297-L417 HydrophobicContact CD2-CD2 4.26Å
298	K	94.3	Very high	79.7	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-54.2	-51.4	177.7	-178.7	164.9	179	152.6	0	111	N296 F300 L301 Q302 T350 R351 F373 D376	N296-K298 WeakPolarHBondContact OD1-CB 3.49Å; N296-K298 PolarHBondContact OD1-N 3.48Å; K298-F300 VanDerWaalsContact C-N 3.32Å; K298-F300 PolarHBondContact O-N 3.12Å; K298-L301 PolarHBondContact O-N 2.83Å; K298-Q302 WeakPolarHBondContact O-CG 3.43Å; K298-Q302 PolarHBondContact O-N 2.79Å; K298-T350 WeakPolarHBondContact CB-OG1 3.24Å; K298-T350 PolarHBondContact N-O 3.12Å; K298-R351 HydrophobicContact CB-CB 4.29Å; K298-R351 HydrophobicContact CD-CB 4.01Å; K298-F373 HydrophobicContact CD-CD1 4.41Å; K298-F373 HydrophobicContact CD-CE1 4.49Å; K298-D376 IonicContact NZ-OD1 3.48Å; K298-D376 PolarHBondContact NZ-OD1 3.49Å; K298-D376 IonicContact NZ-OD2 3.8Å; K298-D376 PolarHBondContact NZ-OD2 3.46Å
299	L	91.1	Very high	77.4	Confident	33 Å²	33	51 Å²	51	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-34.9	-179.9	-59.4	179.4	0	0	0	112.7	L199 N296 L297 R303 F373	L199-L299 HydrophobicContact CD1-CD1 3.78Å; L199-L299 HydrophobicContact CD2-CD1 3.25Å; L199-L299 HydrophobicContact CG-CD1 4Å; N296-L299 HydrophobicContact CB-CB 4.41Å; N296-L299 HydrophobicContact CB-CD1 4.14Å; N296-L299 HydrophobicContact CB-CG 4.28Å; N296-L299 PolarHBondContact OD1-N 2.81Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.35Å; L299-R303 WeakPolarHBondContact O-CB 3.48Å; L299-R303 WeakPolarHBondContact O-CG 3.47Å; L299-R303 PolarHBondContact O-N 3.07Å; L299-F373 HydrophobicContact CD1-CE1 4.35Å; L299-F373 HydrophobicContact CD1-CZ 4.39Å; L299-F373 HydrophobicContact CD2-CE1 4.06Å; L299-F373 HydrophobicContact CG-CE1 4.02Å; L299-F373 HydrophobicContact CG-CZ 4.36Å
300	F	89.4	Confident	75.3	Confident	16 Å²	16	54.8 Å²	54.8	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-41.8	174.7	172.5	-101.2	0	0	0	112.4	N296 L297 K298 R304 L319 M327 L355	N296-F300 WeakPolarHBondContact O-CB 3.47Å; N296-F300 PolarHBondContact O-N 2.91Å; L297-F300 HydrophobicContact CD1-CD1 4.31Å; L297-F300 WeakPolarHBondContact O-CB 3.49Å; L297-F300 PolarHBondContact O-N 2.69Å; L297-F300 VanDerWaalsContact O-N 3.16Å; K298-F300 VanDerWaalsContact C-N 3.32Å; K298-F300 PolarHBondContact O-N 3.12Å; F300-R304 VanDerWaalsContact CZ-CZ 3.41Å; F300-R304 VanDerWaalsContact CZ-NH1 3.34Å; F300-R304 PolarHBondContact O-N 2.95Å; F300-L319 HydrophobicContact CD1-CD1 4.46Å; F300-L319 HydrophobicContact CE1-CD1 3.82Å; F300-L319 HydrophobicContact CE1-CD2 4.11Å; F300-L319 HydrophobicContact CE1-CG 4.35Å; F300-L319 HydrophobicContact CZ-CD2 4.33Å; F300-M327 HydrophobicContact CE1-CE 4.07Å; F300-L355 HydrophobicContact CB-CD1 3.3Å; F300-L355 HydrophobicContact CD1-CD1 3.51Å; F300-L355 HydrophobicContact CD2-CD1 3.78Å; F300-L355 HydrophobicContact CE1-CD1 4.17Å; F300-L355 HydrophobicContact CE2-CD1 4.42Å; F300-L355 HydrophobicContact CG-CD1 3.25Å
301	L	90.5	Very high	73.7	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-48.9	176.5	-65.3	167.6	0	0	0	111.1	L297 K298 R303 R304 S305 L319 L324 T350 L417 R420	L297-L301 HydrophobicContact CD1-CD1 4.21Å; L297-L301 HydrophobicContact CD1-CD2 4.37Å; L297-L301 HydrophobicContact CD1-CG 4.06Å; L297-L301 HydrophobicContact CG-CD1 4.07Å; L297-L301 HydrophobicContact CG-CG 4.38Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.44Å; L297-L301 PolarHBondContact O-N 3.09Å; K298-L301 PolarHBondContact O-N 2.83Å; L301-R303 PolarHBondContact O-N 3.45Å; L301-R304 PolarHBondContact O-N 3.39Å; L301-S305 PolarHBondContact O-N 3.44Å; L301-L319 HydrophobicContact CD2-CD1 3.62Å; L301-L324 HydrophobicContact CD2-CD2 4.07Å; L301-T350 HydrophobicContact CD1-CG2 3.96Å; L301-L417 HydrophobicContact CD1-CD2 3.95Å; L301-L417 HydrophobicContact CD2-CD2 4.38Å; L301-R420 CarbonylContact C-O 3.57Å
302	Q	89	Confident	72.7	Confident	59 Å²	59	61.4 Å²	61.4	28%	0.276	33%	0.332	S	S	.	.	H	α-helix	trans	-61.9	-44.4	-178.5	-71.5	176.3	-25	0	0	112.5	K298 R304 S305 N306 G421	K298-Q302 WeakPolarHBondContact O-CG 3.43Å; K298-Q302 PolarHBondContact O-N 2.79Å; Q302-R304 PolarHBondContact O-N 2.9Å; Q302-S305 PolarHBondContact O-N 2.85Å; Q302-S305 VanDerWaalsContact O-N 3.12Å; Q302-N306 PolarHBondContact O-N 3.46Å; Q302-N306 VanDerWaalsContact O-N 3.12Å; Q302-G421 WeakPolarHBondContact CG-O 3.4Å; Q302-G421 PolarHBondContact NE2-O 2.92Å
303	R	83.5	Confident	71.7	Confident	106 Å²	106	63 Å²	63	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-56.9	-36.7	176.5	-75.2	176.3	-168.1	117.6	-1.3	112.4	L299 L301 M308	L299-R303 WeakPolarHBondContact O-CB 3.48Å; L299-R303 WeakPolarHBondContact O-CG 3.47Å; L299-R303 PolarHBondContact O-N 3.07Å; L301-R303 PolarHBondContact O-N 3.45Å; R303-M308 PolarHBondContact O-N 3.48Å
304	R	75.8	Confident	70.3	Confident	42 Å²	42	65.8 Å²	65.8	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-81.1	-25.5	178.3	-70.7	-155.6	173.6	161.7	0	114.4	F300 L301 Q302 N306 T317	F300-R304 VanDerWaalsContact CZ-CZ 3.41Å; F300-R304 VanDerWaalsContact CZ-NH1 3.34Å; F300-R304 PolarHBondContact O-N 2.95Å; L301-R304 PolarHBondContact O-N 3.39Å; Q302-R304 PolarHBondContact O-N 2.9Å; R304-N306 VanDerWaalsContact C-N 3.34Å; R304-T317 PolarHBondContact NH1-O 3.16Å
305	S	72.8	Confident	69	Low	61 Å²	61	66.8 Å²	66.8	43%	0.427	36%	0.364	S	S	.	.	H	α-helix	trans	-70.2	-34.8	173.2	-165.3	0	0	0	0	111.7	L301 Q302 G307	L301-S305 PolarHBondContact O-N 3.44Å; Q302-S305 PolarHBondContact O-N 2.85Å; Q302-S305 VanDerWaalsContact O-N 3.12Å; S305-G307 VanDerWaalsContact C-N 3.31Å; S305-G307 PolarHBondContact O-N 3.23Å
306	N	60.7	Low	67.3	Low	116 Å²	116	70.3 Å²	70.3	62%	0.62	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	3.3	-175.6	-64.9	-1.6	0	0	0	113.9	Q302 R304 M308	Q302-N306 PolarHBondContact O-N 3.46Å; Q302-N306 VanDerWaalsContact O-N 3.12Å; R304-N306 VanDerWaalsContact C-N 3.34Å; N306-M308 HydrophobicContact CB-CG 4.3Å; N306-M308 HydrophobicContact CB-SD 4.34Å; N306-M308 PolarHBondContact O-N 2.98Å; N306-M308 VanDerWaalsContact O-N 3.1Å
307	G	54.9	Low	65.6	Low	42 Å²	42	73.9 Å²	73.9	43%	0.433	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.9	-176.4	0	0	0	0	0	114.8	S305 Q309	S305-G307 VanDerWaalsContact C-N 3.31Å; S305-G307 PolarHBondContact O-N 3.23Å; G307-Q309 PolarHBondContact O-N 2.89Å
308	M	51.5	Low	64.5	Low	120 Å²	120	79.4 Å²	79.4	59%	0.591	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-66.3	120.1	-179.2	-82.3	169.8	66.7	0	0	110.4	R303 N306 D310	R303-M308 PolarHBondContact O-N 3.48Å; N306-M308 HydrophobicContact CB-CG 4.3Å; N306-M308 HydrophobicContact CB-SD 4.34Å; N306-M308 PolarHBondContact O-N 2.98Å; N306-M308 VanDerWaalsContact O-N 3.1Å; M308-D310 PolarHBondContact O-N 3.43Å
309	Q	46.5	Very low	63.9	Low	156 Å²	156	79.2 Å²	79.2	73%	0.729	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-73.6	121.4	171.9	-60.6	-164.2	22.7	0	0	109.5	G307	G307-Q309 PolarHBondContact O-N 2.89Å
310	D	48.1	Very low	63.7	Low	80 Å²	80	81.1 Å²	81.1	43%	0.428	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-95.9	120.2	168.5	176.9	23.4	0	0	0	108.2	M308 N312 T313	M308-D310 PolarHBondContact O-N 3.43Å; D310-N312 PolarHBondContact O-N 3.3Å; D310-T313 PolarHBondContact O-N 3.43Å; D310-T313 VanDerWaalsContact O-O 3.05Å; D310-T313 PolarHBondContact OD2-OG1 2.61Å
311	G	50.5	Low	63.5	Low	83 Å²	83	83.2 Å²	83.2	86%	0.856	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.3	-176.3	0	0	0	0	0	114.7
312	N	49.2	Very low	63.3	Low	156 Å²	156	84.7 Å²	84.7	83%	0.834	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-7	178.4	-71.8	-31.9	0	0	0	114.6	D310	D310-N312 PolarHBondContact O-N 3.3Å
313	T	46.3	Very low	63.4	Low	34 Å²	34	85 Å²	85	21%	0.209	48%	0.478	C	S	.	.	S	Bend	trans	-122.6	124.2	-175.7	-52.2	0	0	0	0	109.4	D310	D310-T313 PolarHBondContact O-N 3.43Å; D310-T313 VanDerWaalsContact O-O 3.05Å; D310-T313 PolarHBondContact OD2-OG1 2.61Å
314	R	43.1	Very low	63.8	Low	185 Å²	185	80.9 Å²	80.9	70%	0.698	46%	0.464	S	S	*	.			trans	-39.1	131.9	176.3	-75.5	-172.4	-177.4	180	-2.4	110.7	N316	R314-N316 PolarHBondContact O-N 3.19Å
315	P	42.6	Very low	64.7	Low	92 Å²	92	79.2 Å²	79.2	60%	0.597	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.7	-170.2	20.8	-31.9	0	0	0	110.8	T317	P315-T317 VanDerWaalsContact C-N 3.32Å; P315-T317 PolarHBondContact O-N 3.18Å
316	N	49.1	Very low	65.8	Low	82 Å²	82	78.1 Å²	78.1	44%	0.439	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	33.7	147.4	-66.4	-5.3	0	0	0	118.9	R314 I318	R314-N316 PolarHBondContact O-N 3.19Å; N316-I318 VanDerWaalsContact C-N 3.27Å; N316-I318 PolarHBondContact O-N 3.32Å
317	T	55.8	Low	67.5	Low	80 Å²	80	72.6 Å²	72.6	49%	0.491	42%	0.421	S	S	.	.			trans	-74.2	91.5	162.7	19.1	0	0	0	0	108.4	R304 P315 L319	R304-T317 PolarHBondContact NH1-O 3.16Å; P315-T317 VanDerWaalsContact C-N 3.32Å; P315-T317 PolarHBondContact O-N 3.18Å; T317-L319 PolarHBondContact O-N 2.95Å
318	I	70	Confident	69.5	Low	116 Å²	116	70.9 Å²	70.9	60%	0.595	40%	0.402	S	S	*	.			trans	-46	130.4	167.4	-62.5	171.6	0	0	0	107.3	N316 T320	N316-I318 VanDerWaalsContact C-N 3.27Å; N316-I318 PolarHBondContact O-N 3.32Å; I318-T320 PolarHBondContact O-N 3.28Å
319	L	82.1	Confident	71.7	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	38%	0.38	C	S	.	.			trans	-64.4	126.2	175.9	-67.5	172.2	0	0	0	109.2	F300 L301 T317 Q323 L324 M327 R420	F300-L319 HydrophobicContact CD1-CD1 4.46Å; F300-L319 HydrophobicContact CE1-CD1 3.82Å; F300-L319 HydrophobicContact CE1-CD2 4.11Å; F300-L319 HydrophobicContact CE1-CG 4.35Å; F300-L319 HydrophobicContact CZ-CD2 4.33Å; L301-L319 HydrophobicContact CD2-CD1 3.62Å; T317-L319 PolarHBondContact O-N 2.95Å; L319-Q323 HydrophobicContact CD2-CB 4.33Å; L319-L324 HydrophobicContact CB-CD2 4.13Å; L319-L324 HydrophobicContact CB-CG 4.19Å; L319-L324 HydrophobicContact CD1-CD2 3.78Å; L319-M327 HydrophobicContact CD1-CE 3.96Å; L319-M327 HydrophobicContact CD1-SD 4.32Å; L319-M327 HydrophobicContact CD2-CE 3.89Å; L319-R420 PolarHBondContact O-NH2 3.16Å
320	T	85.5	Confident	74.2	Confident	74 Å²	74	59.6 Å²	59.6	45%	0.454	35%	0.349	S	S	.	.			trans	-71.2	159.7	174.9	69.9	0	0	0	0	110.3	I318 A322 Q323 L324	I318-T320 PolarHBondContact O-N 3.28Å; T320-A322 PolarHBondContact O-N 2.98Å; T320-Q323 VanDerWaalsContact N-OE1 3.11Å; T320-Q323 PolarHBondContact O-N 3.33Å; T320-Q323 VanDerWaalsContact O-N 3.09Å; T320-Q323 WeakPolarHBondContact OG1-CG 3.36Å; T320-Q323 PolarHBondContact OG1-N 3.44Å; T320-L324 PolarHBondContact O-N 3.15Å; T320-L324 VanDerWaalsContact O-N 3.11Å
321	A	85.5	Confident	76.6	Confident	59 Å²	59	56 Å²	56	49%	0.488	33%	0.329	S	S	.	.	H	α-helix	trans	-55.4	-42.9	174.4	0	0	0	0	0	111.5	Q323 L324 I325	A321-Q323 VanDerWaalsContact C-N 3.3Å; A321-Q323 PolarHBondContact O-N 3.4Å; A321-L324 PolarHBondContact O-N 3.11Å; A321-I325 VanDerWaalsContact O-CG1 3.28Å; A321-I325 WeakPolarHBondContact O-CG1 3.42Å; A321-I325 PolarHBondContact O-N 2.86Å
322	A	87.7	Confident	78.9	Confident	33 Å²	33	52.1 Å²	52.1	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-38.3	176.6	0	0	0	0	0	113	T320 S326	T320-A322 PolarHBondContact O-N 2.98Å; A322-S326 WeakPolarHBondContact O-CB 3.29Å; A322-S326 PolarHBondContact O-N 3.43Å
323	Q	90.5	Very high	81.3	Confident	66 Å²	66	46.6 Å²	46.6	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-69.2	-40.9	176.7	-70.8	173.3	-23.9	0	0	112.1	L319 T320 A321 S326 M327 T359	L319-Q323 HydrophobicContact CD2-CB 4.33Å; T320-Q323 VanDerWaalsContact N-OE1 3.11Å; T320-Q323 PolarHBondContact O-N 3.33Å; T320-Q323 VanDerWaalsContact O-N 3.09Å; T320-Q323 WeakPolarHBondContact OG1-CG 3.36Å; T320-Q323 PolarHBondContact OG1-N 3.44Å; A321-Q323 VanDerWaalsContact C-N 3.3Å; A321-Q323 PolarHBondContact O-N 3.4Å; Q323-S326 WeakPolarHBondContact O-CB 3.32Å; Q323-S326 PolarHBondContact O-N 2.96Å; Q323-M327 WeakPolarHBondContact O-CG 3.39Å; Q323-M327 PolarHBondContact O-N 3.36Å; Q323-T359 HydrophobicContact CB-CG2 4.12Å; Q323-T359 HydrophobicContact CG-CG2 3.87Å
324	L	92.8	Very high	83.7	Confident	18 Å²	18	45 Å²	45	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-42.6	176	-67.4	173.8	0	0	0	111.6	L301 L319 T320 A321 S326 M327 A328 L417	L301-L324 HydrophobicContact CD2-CD2 4.07Å; L319-L324 HydrophobicContact CB-CD2 4.13Å; L319-L324 HydrophobicContact CB-CG 4.19Å; L319-L324 HydrophobicContact CD1-CD2 3.78Å; T320-L324 PolarHBondContact O-N 3.15Å; T320-L324 VanDerWaalsContact O-N 3.11Å; A321-L324 PolarHBondContact O-N 3.11Å; L324-S326 VanDerWaalsContact C-N 3.32Å; L324-S326 PolarHBondContact O-N 3.12Å; L324-M327 PolarHBondContact O-N 3.37Å; L324-A328 WeakPolarHBondContact O-CB 3.48Å; L324-A328 PolarHBondContact O-N 2.91Å; L324-L417 HydrophobicContact CD2-CD2 4.4Å
325	I	93.9	Very high	86.3	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-41.1	174.7	-65.4	163.1	0	0	0	110.7	A321 A328 L329 L478 F481 Q482 V485	A321-I325 VanDerWaalsContact O-CG1 3.28Å; A321-I325 WeakPolarHBondContact O-CG1 3.42Å; A321-I325 PolarHBondContact O-N 2.86Å; I325-A328 WeakPolarHBondContact O-CB 3.45Å; I325-A328 PolarHBondContact O-N 3.49Å; I325-L329 HydrophobicContact CG2-CD1 4.27Å; I325-L329 WeakPolarHBondContact O-CG 3.5Å; I325-L329 PolarHBondContact O-N 2.74Å; I325-L478 HydrophobicContact CG2-CD1 4.17Å; I325-L478 HydrophobicContact CG2-CG 4.12Å; I325-F481 HydrophobicContact CD1-CD1 3.94Å; I325-F481 HydrophobicContact CD1-CE1 3.58Å; I325-F481 HydrophobicContact CG1-CD1 4.48Å; I325-F481 HydrophobicContact CG1-CE1 4.27Å; I325-Q482 HydrophobicContact CG2-CB 3.82Å; I325-Q482 HydrophobicContact CG2-CG 3.87Å; I325-V485 HydrophobicContact CD1-CG1 4.49Å; I325-V485 HydrophobicContact CD1-CG2 4.27Å
326	S	95	Very high	89	Confident	38 Å²	38	33.3 Å²	33.3	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-44	175.2	-176.8	0	0	0	0	112.1	A322 Q323 L324 L329 Q330	A322-S326 WeakPolarHBondContact O-CB 3.29Å; A322-S326 PolarHBondContact O-N 3.43Å; Q323-S326 WeakPolarHBondContact O-CB 3.32Å; Q323-S326 PolarHBondContact O-N 2.96Å; L324-S326 VanDerWaalsContact C-N 3.32Å; L324-S326 PolarHBondContact O-N 3.12Å; S326-L329 PolarHBondContact O-N 3.07Å; S326-Q330 VanDerWaalsContact O-CG 3.24Å; S326-Q330 WeakPolarHBondContact O-CG 3.27Å; S326-Q330 PolarHBondContact O-N 2.98Å; S326-Q330 VanDerWaalsContact O-N 3.16Å; S326-Q330 PolarHBondContact O-NE2 2.94Å; S326-Q330 PolarHBondContact OG-NE2 2.9Å
327	M	96.2	Very high	91.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-42.4	175.4	-68.8	173.8	-176.8	0	0	111.6	L297 F300 L319 Q323 L324 L329 Q330 I331 R358 T359 V361 L417	L297-M327 HydrophobicContact CD1-SD 4.05Å; F300-M327 HydrophobicContact CE1-CE 4.07Å; L319-M327 HydrophobicContact CD1-CE 3.96Å; L319-M327 HydrophobicContact CD1-SD 4.32Å; L319-M327 HydrophobicContact CD2-CE 3.89Å; Q323-M327 WeakPolarHBondContact O-CG 3.39Å; Q323-M327 PolarHBondContact O-N 3.36Å; L324-M327 PolarHBondContact O-N 3.37Å; M327-L329 PolarHBondContact O-N 2.93Å; M327-Q330 WeakPolarHBondContact O-CB 3.35Å; M327-Q330 PolarHBondContact O-N 2.84Å; M327-I331 WeakPolarHBondContact O-CG1 3.49Å; M327-I331 PolarHBondContact O-N 3.22Å; M327-R358 WeakPolarHBondContact CE-O 3.31Å; M327-T359 HydrophobicContact CE-CG2 4.08Å; M327-V361 HydrophobicContact CB-CG1 4.27Å; M327-V361 HydrophobicContact CB-CG2 4.23Å; M327-V361 HydrophobicContact CG-CG1 3.96Å; M327-V361 WeakPolarHBondContact O-CG2 3.36Å; M327-V361 HydrophobicContact SD-CG1 4.39Å; M327-L417 HydrophobicContact CB-CD2 4.36Å; M327-L417 HydrophobicContact SD-CD2 4.45Å
328	A	98	Very high	93.2	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-47.5	175.9	0	0	0	0	0	112.3	L324 I325 Q330 I331 L332 L414 L417 L478	L324-A328 WeakPolarHBondContact O-CB 3.48Å; L324-A328 PolarHBondContact O-N 2.91Å; I325-A328 WeakPolarHBondContact O-CB 3.45Å; I325-A328 PolarHBondContact O-N 3.49Å; A328-Q330 VanDerWaalsContact C-N 3.27Å; A328-Q330 PolarHBondContact O-N 2.83Å; A328-I331 PolarHBondContact O-N 3.39Å; A328-L332 WeakPolarHBondContact O-CB 3.4Å; A328-L332 WeakPolarHBondContact O-CG 3.42Å; A328-L332 PolarHBondContact O-N 3.07Å; A328-L414 HydrophobicContact CB-CD2 3.36Å; A328-L417 HydrophobicContact CB-CD1 3.75Å; A328-L478 HydrophobicContact CB-CD2 3.63Å
329	L	98.3	Very high	94.5	Very high	23 Å²	23	23.6 Å²	23.6	12%	0.12	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-35.4	176.8	-76	170.3	0	0	0	112.7	I325 S326 M327 S333 I475 L478 K479	I325-L329 HydrophobicContact CG2-CD1 4.27Å; I325-L329 WeakPolarHBondContact O-CG 3.5Å; I325-L329 PolarHBondContact O-N 2.74Å; S326-L329 PolarHBondContact O-N 3.07Å; M327-L329 PolarHBondContact O-N 2.93Å; L329-S333 VanDerWaalsContact O-CB 3.27Å; L329-S333 WeakPolarHBondContact O-CB 3.45Å; L329-S333 PolarHBondContact O-N 2.88Å; L329-I475 HydrophobicContact CD2-CG2 4.32Å; L329-L478 HydrophobicContact CD2-CB 3.98Å; L329-L478 HydrophobicContact CD2-CD2 3.89Å; L329-L478 HydrophobicContact CD2-CG 4.02Å; L329-L478 HydrophobicContact CG-CD2 3.85Å; L329-L478 HydrophobicContact CG-CG 4.16Å; L329-K479 HydrophobicContact CD1-CG 4.18Å; L329-K479 HydrophobicContact CD2-CG 3.77Å
330	Q	98.3	Very high	95.1	Very high	17 Å²	17	26.9 Å²	26.9	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-40.9	176.9	-68.1	171.6	54.3	0	0	112.3	H259 S326 M327 A328 S333 A334 T359 R360 V361	H259-Q330 HydrophobicContact CB-CB 4.42Å; H259-Q330 WeakPolarHBondContact CB-O 3.49Å; H259-Q330 VanDerWaalsContact CE1-CD 3.47Å; H259-Q330 WeakPolarHBondContact CE1-CG 3.18Å; H259-Q330 PolarHBondContact CE1-OE1 2.85Å; H259-Q330 PolarHBondContact ND1-OE1 2.97Å; S326-Q330 VanDerWaalsContact O-CG 3.24Å; S326-Q330 WeakPolarHBondContact O-CG 3.27Å; S326-Q330 PolarHBondContact O-N 2.98Å; S326-Q330 VanDerWaalsContact O-N 3.16Å; S326-Q330 PolarHBondContact O-NE2 2.94Å; S326-Q330 PolarHBondContact OG-NE2 2.9Å; M327-Q330 WeakPolarHBondContact O-CB 3.35Å; M327-Q330 PolarHBondContact O-N 2.84Å; A328-Q330 VanDerWaalsContact C-N 3.27Å; A328-Q330 PolarHBondContact O-N 2.83Å; Q330-S333 PolarHBondContact O-N 3Å; Q330-A334 PolarHBondContact O-N 3.37Å; Q330-T359 PolarHBondContact NE2-O 3.47Å; Q330-R360 VanDerWaalsContact OE1-CA 3.25Å; Q330-V361 HydrophobicContact CB-CG2 3.52Å; Q330-V361 HydrophobicContact CG-CG2 4.39Å
331	I	98.5	Very high	95.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-46.2	175.1	-64.9	167.9	0	0	0	110.1	L297 M327 A328 S333 A334 A335 I348 V361 T413 L417	L297-I331 HydrophobicContact CD2-CD1 4.03Å; M327-I331 WeakPolarHBondContact O-CG1 3.49Å; M327-I331 PolarHBondContact O-N 3.22Å; A328-I331 PolarHBondContact O-N 3.39Å; I331-S333 VanDerWaalsContact C-N 3.34Å; I331-S333 PolarHBondContact O-N 2.78Å; I331-A334 WeakPolarHBondContact O-CB 3.48Å; I331-A334 PolarHBondContact O-N 2.95Å; I331-A334 VanDerWaalsContact O-N 3.16Å; I331-A335 PolarHBondContact O-N 2.85Å; I331-I348 HydrophobicContact CG2-CG2 4.14Å; I331-V361 HydrophobicContact CG1-CG2 3.92Å; I331-T413 HydrophobicContact CD1-CG2 4.07Å; I331-T413 HydrophobicContact CG2-CG2 4.49Å; I331-L417 HydrophobicContact CD1-CD1 4.22Å
332	L	98.8	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-42.7	175.9	-71.2	169.9	0	0	0	111.7	A328 A334 A335 D336 V410 I471 L474 I475 L478	A328-L332 WeakPolarHBondContact O-CB 3.4Å; A328-L332 WeakPolarHBondContact O-CG 3.42Å; A328-L332 PolarHBondContact O-N 3.07Å; L332-A334 VanDerWaalsContact C-N 3.28Å; L332-A334 PolarHBondContact O-N 3.38Å; L332-A335 PolarHBondContact O-N 3.2Å; L332-D336 PolarHBondContact O-N 3.13Å; L332-V410 HydrophobicContact CD2-CG1 3.41Å; L332-V410 VanDerWaalsContact CD2-CG1 3.41Å; L332-I471 HydrophobicContact CB-CG2 4.25Å; L332-I471 HydrophobicContact CD2-CD1 4.29Å; L332-I471 HydrophobicContact CD2-CG2 4.03Å; L332-I471 WeakPolarHBondContact O-CG2 3.46Å; L332-L474 HydrophobicContact CD1-CB 4.26Å; L332-L474 HydrophobicContact CD2-CB 3.99Å; L332-L474 HydrophobicContact CD2-CD1 4.03Å; L332-I475 HydrophobicContact CB-CD1 4.16Å; L332-I475 HydrophobicContact CB-CG1 3.58Å; L332-I475 HydrophobicContact CD1-CG1 4.27Å; L332-I475 HydrophobicContact CG-CG1 4.48Å; L332-L478 HydrophobicContact CD1-CD2 3.68Å
333	S	98.5	Very high	96.1	Very high	41 Å²	41	30.5 Å²	30.5	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-60.8	-38	176	-172.7	0	0	0	0	112.1	H257 L329 Q330 I331 Y337	H257-S333 PolarHBondContact CE1-OG 2.86Å; H257-S333 PolarHBondContact NE2-OG 2.94Å; L329-S333 VanDerWaalsContact O-CB 3.27Å; L329-S333 WeakPolarHBondContact O-CB 3.45Å; L329-S333 PolarHBondContact O-N 2.88Å; Q330-S333 PolarHBondContact O-N 3Å; I331-S333 VanDerWaalsContact C-N 3.34Å; I331-S333 PolarHBondContact O-N 2.78Å; S333-Y337 PolarHBondContact O-N 2.71Å
334	A	97.9	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-43.7	174.9	0	0	0	0	0	111.8	H259 I260 Q330 I331 L332 Y337 L338 L363	H259-A334 HydrophobicContact CB-CB 4.13Å; H259-A334 VanDerWaalsContact O-CB 3.24Å; H259-A334 WeakPolarHBondContact O-CB 3.2Å; I260-A334 HydrophobicContact CG1-CB 3.79Å; Q330-A334 PolarHBondContact O-N 3.37Å; I331-A334 WeakPolarHBondContact O-CB 3.48Å; I331-A334 PolarHBondContact O-N 2.95Å; I331-A334 VanDerWaalsContact O-N 3.16Å; L332-A334 VanDerWaalsContact C-N 3.28Å; L332-A334 PolarHBondContact O-N 3.38Å; A334-Y337 PolarHBondContact O-N 2.78Å; A334-L338 WeakPolarHBondContact O-CG 3.22Å; A334-L338 PolarHBondContact O-N 2.86Å; A334-L363 HydrophobicContact CB-CB 3.83Å; A334-L363 HydrophobicContact CB-CD2 4.16Å
335	A	98.4	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-41.2	177	0	0	0	0	0	112.6	I331 L332 Y337 L338 H339 I348 I471	I331-A335 PolarHBondContact O-N 2.85Å; L332-A335 PolarHBondContact O-N 3.2Å; A335-Y337 VanDerWaalsContact C-N 3.3Å; A335-Y337 PolarHBondContact O-N 3.46Å; A335-L338 PolarHBondContact O-N 3.07Å; A335-H339 PolarHBondContact O-N 2.99Å; A335-I348 HydrophobicContact CB-CD1 3.96Å; A335-I471 HydrophobicContact CB-CD1 4.3Å; A335-I471 HydrophobicContact CB-CG1 4.31Å; A335-I471 HydrophobicContact CB-CG2 4.15Å
336	D	98.5	Very high	96.5	Very high	31 Å²	31	31.6 Å²	31.6	17%	0.166	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-41.3	176.2	-163.9	65.6	0	0	0	110.7	L332 H339 S340 I471 R472 I475	L332-D336 PolarHBondContact O-N 3.13Å; D336-H339 PolarHBondContact O-N 2.75Å; D336-S340 WeakPolarHBondContact O-CB 3.36Å; D336-S340 PolarHBondContact O-N 3.47Å; D336-I471 HydrophobicContact CB-CB 4.42Å; D336-I471 HydrophobicContact CB-CG2 3.79Å; D336-R472 WeakPolarHBondContact OD1-CB 3.44Å; D336-R472 PolarHBondContact OD1-N 3.22Å; D336-R472 IonicContact OD1-NE 3.21Å; D336-R472 IonicContact OD1-NH2 3.6Å; D336-R472 IonicContact OD2-CZ 3.62Å; D336-R472 IonicContact OD2-NE 3.33Å; D336-R472 PolarHBondContact OD2-NE 3.37Å; D336-R472 IonicContact OD2-NH2 2.74Å; D336-R472 PolarHBondContact OD2-NH2 3.28Å; D336-I475 HydrophobicContact CB-CD1 3.86Å
337	Y	97.5	Very high	96.6	Very high	55 Å²	55	30.4 Å²	30.4	22%	0.216	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-48.6	174.8	175.4	-90.3	0	0	0	111.6	A255 K256 H257 I260 S333 A334 A335 H339 S340 I341	A255-Y337 HydrophobicContact CB-CE1 3.92Å; K256-Y337 PolarHBondContact N-OH 2.68Å; H257-Y337 HydrophobicContact CB-CD1 3.93Å; H257-Y337 HydrophobicContact CB-CD2 4.24Å; H257-Y337 HydrophobicContact CB-CE1 4.17Å; H257-Y337 HydrophobicContact CB-CE2 4.48Å; H257-Y337 HydrophobicContact CB-CG 3.93Å; I260-Y337 HydrophobicContact CD1-CD1 3.29Å; I260-Y337 HydrophobicContact CD1-CE1 3.87Å; I260-Y337 HydrophobicContact CD1-CG 4.19Å; S333-Y337 PolarHBondContact O-N 2.71Å; A334-Y337 PolarHBondContact O-N 2.78Å; A335-Y337 VanDerWaalsContact C-N 3.3Å; A335-Y337 PolarHBondContact O-N 3.46Å; Y337-H339 VanDerWaalsContact C-N 3.32Å; Y337-H339 PolarHBondContact O-N 3.47Å; Y337-S340 WeakPolarHBondContact O-CB 3.34Å; Y337-S340 PolarHBondContact O-N 3.01Å; Y337-S340 VanDerWaalsContact O-N 3.13Å; Y337-S340 PolarHBondContact O-OG 3.07Å; Y337-I341 HydrophobicContact CD1-CD1 4.39Å; Y337-I341 HydrophobicContact CE1-CD1 3.8Å; Y337-I341 PolarHBondContact O-N 3.14Å
338	L	95.6	Very high	96.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-45.8	177.1	-70	177.9	0	0	0	111.3	F252 I260 A334 A335 S340 I341 N342 V343 H345 L363	F252-L338 HydrophobicContact CD1-CD1 4.45Å; F252-L338 HydrophobicContact CD1-CD2 3.79Å; F252-L338 HydrophobicContact CE1-CD1 3.9Å; F252-L338 HydrophobicContact CE1-CD2 4Å; F252-L338 HydrophobicContact CG-CD2 4.45Å; F252-L338 HydrophobicContact CZ-CD1 4.01Å; I260-L338 HydrophobicContact CD1-CD2 3.72Å; I260-L338 HydrophobicContact CD1-CG 3.83Å; A334-L338 WeakPolarHBondContact O-CG 3.22Å; A334-L338 PolarHBondContact O-N 2.86Å; A335-L338 PolarHBondContact O-N 3.07Å; L338-S340 VanDerWaalsContact C-N 3.3Å; L338-S340 PolarHBondContact O-N 3.25Å; L338-I341 CarbonylContact O-C 3.56Å; L338-I341 WeakPolarHBondContact O-CG1 3.37Å; L338-I341 PolarHBondContact O-N 3.36Å; L338-I341 VanDerWaalsContact O-N 3.15Å; L338-N342 PolarHBondContact O-N 3.02Å; L338-V343 CarbonylContact C-O 3.39Å; L338-V343 VanDerWaalsContact C-O 3.28Å; L338-V343 HydrophobicContact CB-CB 4.25Å; L338-V343 HydrophobicContact CB-CG1 4.44Å; L338-V343 HydrophobicContact CD2-CB 4.24Å; L338-V343 HydrophobicContact CD2-CG1 4.04Å; L338-V343 PolarHBondContact O-N 3.14Å; L338-H345 HydrophobicContact CD1-CB 4.18Å; L338-L363 HydrophobicContact CD1-CD2 4.12Å
339	H	96.6	Very high	96.7	Very high	18 Å²	18	30.2 Å²	30.2	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-37.4	176.7	-70.1	-175.2	0	0	0	112	A335 D336 Y337 I341 N342 V343 M403 D406 I471	A335-H339 PolarHBondContact O-N 2.99Å; D336-H339 PolarHBondContact O-N 2.75Å; Y337-H339 VanDerWaalsContact C-N 3.32Å; Y337-H339 PolarHBondContact O-N 3.47Å; H339-I341 PolarHBondContact O-N 3.13Å; H339-N342 PolarHBondContact O-N 3.02Å; H339-V343 PolarHBondContact CD2-O 3.02Å; H339-M403 HydrophobicContact CB-CE 4.12Å; H339-M403 HydrophobicContact CB-CG 4.22Å; H339-M403 HydrophobicContact CB-SD 3.9Å; H339-M403 PolarHBondContact CE1-O 2.83Å; H339-M403 WeakPolarHBondContact O-CE 3.28Å; H339-D406 IonicContact CD2-OD2 3.64Å; H339-D406 IonicContact CE1-OD2 3.07Å; H339-D406 WeakPolarHBondContact NE2-CB 3.26Å; H339-D406 IonicContact NE2-OD2 3.58Å; H339-D406 PolarHBondContact NE2-OD2 2.82Å; H339-I471 WeakPolarHBondContact ND1-CG1 3.48Å
340	S	96.2	Very high	96.7	Very high	72 Å²	72	29.1 Å²	29.1	50%	0.503	16%	0.157	S	C	.	.	H	α-helix	trans	-64.3	-23.3	177.6	78.7	0	0	0	0	114	D336 Y337 L338	D336-S340 WeakPolarHBondContact O-CB 3.36Å; D336-S340 PolarHBondContact O-N 3.47Å; Y337-S340 WeakPolarHBondContact O-CB 3.34Å; Y337-S340 PolarHBondContact O-N 3.01Å; Y337-S340 VanDerWaalsContact O-N 3.13Å; Y337-S340 PolarHBondContact O-OG 3.07Å; L338-S340 VanDerWaalsContact C-N 3.3Å; L338-S340 PolarHBondContact O-N 3.25Å
341	I	92.9	Very high	96.6	Very high	74 Å²	74	28.4 Å²	28.4	38%	0.379	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	20	173.6	64.6	169.2	0	0	0	112.1	Y337 L338 H339 V343	Y337-I341 HydrophobicContact CD1-CD1 4.39Å; Y337-I341 HydrophobicContact CE1-CD1 3.8Å; Y337-I341 PolarHBondContact O-N 3.14Å; L338-I341 CarbonylContact O-C 3.56Å; L338-I341 WeakPolarHBondContact O-CG1 3.37Å; L338-I341 PolarHBondContact O-N 3.36Å; L338-I341 VanDerWaalsContact O-N 3.15Å; H339-I341 PolarHBondContact O-N 3.13Å; I341-V343 HydrophobicContact CD1-CG2 4.01Å; I341-V343 HydrophobicContact CG1-CB 4.28Å; I341-V343 HydrophobicContact CG1-CG2 3.92Å; I341-V343 PolarHBondContact O-N 3.42Å
342	N	92.6	Very high	96.5	Very high	135 Å²	135	28.4 Å²	28.4	72%	0.722	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	28.3	179.5	-62.1	-50.6	0	0	0	114.9	L338 H339	L338-N342 PolarHBondContact O-N 3.02Å; H339-N342 PolarHBondContact O-N 3.02Å
343	V	93	Very high	96.4	Very high	33 Å²	33	28.4 Å²	28.4	20%	0.2	15%	0.154	C	C	.	.			trans	-97.7	123.2	173.1	175.2	0	0	0	0	109.3	F252 L338 H339 I341	F252-V343 HydrophobicContact CD1-CG1 4.1Å; F252-V343 HydrophobicContact CE1-CG1 3.83Å; L338-V343 CarbonylContact C-O 3.39Å; L338-V343 VanDerWaalsContact C-O 3.28Å; L338-V343 HydrophobicContact CB-CB 4.25Å; L338-V343 HydrophobicContact CB-CG1 4.44Å; L338-V343 HydrophobicContact CD2-CB 4.24Å; L338-V343 HydrophobicContact CD2-CG1 4.04Å; L338-V343 PolarHBondContact O-N 3.14Å; H339-V343 PolarHBondContact CD2-O 3.02Å; I341-V343 HydrophobicContact CD1-CG2 4.01Å; I341-V343 HydrophobicContact CG1-CB 4.28Å; I341-V343 HydrophobicContact CG1-CG2 3.92Å; I341-V343 PolarHBondContact O-N 3.42Å
344	I	94.6	Very high	96.1	Very high	45 Å²	45	26.8 Å²	26.8	23%	0.231	14%	0.142	C	C	.	.			trans	-93.8	131.1	169.1	-58	159.1	0	0	0	107	E346 M403	I344-E346 HydrophobicContact CB-CG 4.46Å; I344-E346 HydrophobicContact CG2-CG 3.89Å; I344-M403 HydrophobicContact CG1-CG 4.38Å
345	H	95.4	Very high	95.7	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	14%	0.142	C	C	.	.			trans	-79.8	-35.9	-176.5	-174.3	-55.4	0	0	0	112.3	F252 L338 D347 I348 L363 S364 D406	F252-H345 AromaticContact CE2-CD2 3.79Å; F252-H345 AromaticContact CE2-NE2 3.72Å; F252-H345 HydrophobicContact CZ-CB 4.44Å; F252-H345 AromaticContact CZ-CD2 3.31Å; F252-H345 WeakPolarHBondContact CZ-CD2 3.38Å; F252-H345 AromaticContact CZ-CG 3.82Å; F252-H345 AromaticContact CZ-NE2 3.64Å; L338-H345 HydrophobicContact CD1-CB 4.18Å; H345-D347 PolarHBondContact CE1-O 2.86Å; H345-D347 VanDerWaalsContact CE1-O 3.22Å; H345-D347 PolarHBondContact ND1-N 3.06Å; H345-D347 PolarHBondContact ND1-O 2.9Å; H345-D347 PolarHBondContact O-N 3.16Å; H345-D347 VanDerWaalsContact O-N 3.11Å; H345-I348 HydrophobicContact CB-CD1 3.93Å; H345-I348 HydrophobicContact CB-CG1 3.56Å; H345-L363 VanDerWaalsContact CD2-CD2 3.45Å; H345-L363 WeakPolarHBondContact CD2-CD2 3.49Å; H345-L363 WeakPolarHBondContact NE2-CG 3.35Å; H345-S364 PolarHBondContact NE2-O 3.17Å; H345-S364 VanDerWaalsContact NE2-O 3.09Å; H345-D406 PolarHBondContact N-OD1 3.12Å; H345-D406 PolarHBondContact N-OD2 3.18Å
346	E	95.5	Very high	95	Very high	68 Å²	68	28.3 Å²	28.3	32%	0.318	15%	0.149	S	C	.	.	S	Bend	trans	72.4	-8.3	176.2	-51.2	171.2	162.5	0	0	115.7	K251 I344 Y401 D406	K251-E346 IonicContact NZ-OE2 2.65Å; K251-E346 PolarHBondContact NZ-OE2 2.96Å; I344-E346 HydrophobicContact CB-CG 4.46Å; I344-E346 HydrophobicContact CG2-CG 3.89Å; E346-Y401 HydrophobicContact CB-CD1 4.04Å; E346-Y401 HydrophobicContact CB-CE1 4.35Å; E346-Y401 HydrophobicContact CG-CD1 4.02Å; E346-Y401 HydrophobicContact CG-CG 4.21Å; E346-D406 PolarHBondContact N-OD1 3.14Å
347	D	97.1	Very high	94.1	Very high	13 Å²	13	29.1 Å²	29.1	7%	0.07	16%	0.156	C	C	.	.			trans	-157.2	47	-172.5	-165.3	2.7	0	0	0	111.6	H345 A349 R351 N352 S366 Y377 P387	H345-D347 PolarHBondContact CE1-O 2.86Å; H345-D347 VanDerWaalsContact CE1-O 3.22Å; H345-D347 PolarHBondContact ND1-N 3.06Å; H345-D347 PolarHBondContact ND1-O 2.9Å; H345-D347 PolarHBondContact O-N 3.16Å; H345-D347 VanDerWaalsContact O-N 3.11Å; D347-A349 PolarHBondContact O-N 3.27Å; D347-R351 IonicContact OD1-CZ 3.1Å; D347-R351 IonicContact OD1-NE 2.71Å; D347-R351 IonicContact OD1-NH2 3.78Å; D347-R351 PolarHBondContact OD1-NH2 2.84Å; D347-N352 PolarHBondContact O-ND2 3.49Å; D347-N352 PolarHBondContact OD1-ND2 2.61Å; D347-N352 PolarHBondContact OD2-ND2 2.82Å; D347-S366 WeakPolarHBondContact CB-OG 3.38Å; D347-S366 WeakPolarHBondContact OD2-CB 3.34Å; D347-S366 PolarHBondContact OD2-OG 2.88Å; D347-Y377 PolarHBondContact OD2-OH 3.4Å; D347-P387 WeakPolarHBondContact OD1-CG 3.49Å
348	I	98.6	Very high	93	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.			trans	-72.6	118.4	175	-55.9	178.5	0	0	0	108.6	I331 A335 H345 L363 D406 S409 V410 T413	I331-I348 HydrophobicContact CG2-CG2 4.14Å; A335-I348 HydrophobicContact CB-CD1 3.96Å; H345-I348 HydrophobicContact CB-CD1 3.93Å; H345-I348 HydrophobicContact CB-CG1 3.56Å; I348-L363 HydrophobicContact CD1-CD2 4.48Å; I348-L363 HydrophobicContact CG1-CD2 4.37Å; I348-L363 HydrophobicContact CG2-CD1 4.23Å; I348-D406 HydrophobicContact CD1-CB 3.86Å; I348-S409 WeakPolarHBondContact O-CB 3.24Å; I348-V410 HydrophobicContact CB-CG2 4.38Å; I348-V410 HydrophobicContact CD1-CG2 3.81Å; I348-V410 HydrophobicContact CG2-CG2 3.87Å; I348-T413 PolarHBondContact O-OG1 2.83Å; I348-T413 VanDerWaalsContact O-OG1 3.1Å
349	A	98.5	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-159.5	161.7	179.2	0	0	0	0	0	110.2	D347 R351 N352 W390 T413	D347-A349 PolarHBondContact O-N 3.27Å; A349-R351 HydrophobicContact CB-CG 3.78Å; A349-R351 VanDerWaalsContact CB-CZ 3.48Å; A349-R351 PolarHBondContact O-N 2.79Å; A349-N352 PolarHBondContact O-N 3.44Å; A349-W390 HydrophobicContact CB-CG 4.36Å; A349-T413 VanDerWaalsContact CA-OG1 3.32Å; A349-T413 WeakPolarHBondContact CA-OG1 3.29Å
350	T	97.6	Very high	92.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.9	-28.4	177	63.7	0	0	0	0	113.2	L297 K298 L301 N352 C353 T413 E416 L417	L297-T350 WeakPolarHBondContact CB-O 3.49Å; L297-T350 HydrophobicContact CD2-CG2 4.32Å; K298-T350 WeakPolarHBondContact CB-OG1 3.24Å; K298-T350 PolarHBondContact N-O 3.12Å; L301-T350 HydrophobicContact CD1-CG2 3.96Å; T350-N352 PolarHBondContact O-N 2.87Å; T350-C353 PolarHBondContact O-N 2.84Å; T350-T413 HydrophobicContact CG2-CG2 3.96Å; T350-E416 HydrophobicContact CG2-CB 3.58Å; T350-E416 HydrophobicContact CG2-CG 4.39Å; T350-E416 PolarHBondContact N-OE2 3.03Å; T350-E416 PolarHBondContact OG1-OE1 2.92Å; T350-L417 HydrophobicContact CG2-CD2 4.45Å; T350-L417 HydrophobicContact CG2-CG 4.43Å
351	R	96.8	Very high	92.2	Very high	3 Å²	3	34 Å²	34	1%	0.011	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.9	173.2	62.2	166	172.6	-68.8	-15.2	113.5	N296 K298 D347 A349 F373 D376 Y377 W390	N296-R351 PolarHBondContact ND2-O 2.97Å; K298-R351 HydrophobicContact CB-CB 4.29Å; K298-R351 HydrophobicContact CD-CB 4.01Å; D347-R351 IonicContact OD1-CZ 3.1Å; D347-R351 IonicContact OD1-NE 2.71Å; D347-R351 IonicContact OD1-NH2 3.78Å; D347-R351 PolarHBondContact OD1-NH2 2.84Å; A349-R351 HydrophobicContact CB-CG 3.78Å; A349-R351 VanDerWaalsContact CB-CZ 3.48Å; A349-R351 PolarHBondContact O-N 2.79Å; R351-F373 HydrophobicContact CB-CD1 4.08Å; R351-F373 HydrophobicContact CB-CD2 3.75Å; R351-F373 HydrophobicContact CB-CE1 4.17Å; R351-F373 HydrophobicContact CB-CE2 3.85Å; R351-F373 HydrophobicContact CB-CG 3.87Å; R351-F373 HydrophobicContact CB-CZ 4.08Å; R351-F373 HydrophobicContact CG-CD2 4.48Å; R351-D376 WeakPolarHBondContact CD-OD2 3.09Å; R351-D376 IonicContact CZ-OD2 3.35Å; R351-D376 IonicContact NE-OD2 3.5Å; R351-D376 IonicContact NH1-OD2 2.79Å; R351-D376 PolarHBondContact NH1-OD2 2.86Å; R351-Y377 PolarHBondContact NE-OH 3.46Å; R351-W390 VanDerWaalsContact NH1-CH2 3.28Å
352	N	96.1	Very high	92.3	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-101	15.2	179.5	-67.2	-25.9	0	0	0	112	D347 A349 T350 S364 S366 S369	D347-N352 PolarHBondContact O-ND2 3.49Å; D347-N352 PolarHBondContact OD1-ND2 2.61Å; D347-N352 PolarHBondContact OD2-ND2 2.82Å; A349-N352 PolarHBondContact O-N 3.44Å; T350-N352 PolarHBondContact O-N 2.87Å; N352-S364 PolarHBondContact O-N 3.49Å; N352-S366 PolarHBondContact ND2-OG 3.33Å; N352-S369 VanDerWaalsContact OD1-CB 3.29Å; N352-S369 WeakPolarHBondContact OD1-CB 3.02Å; N352-S369 PolarHBondContact OD1-OG 3.48Å
353	C	95.5	Very high	92.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.6	173.2	-63.6	0	0	0	0	111.5	L297 T350 A362	L297-C353 HydrophobicContact CB-CB 3.7Å; L297-C353 WeakPolarHBondContact CB-O 3.48Å; L297-C353 HydrophobicContact CD2-CB 3.56Å; L297-C353 HydrophobicContact CG-CB 4.28Å; L297-C353 PolarHBondContact N-O 3.42Å; T350-C353 PolarHBondContact O-N 2.84Å; C353-A362 CarbonylContact C-O 3.43Å; C353-A362 WeakPolarHBondContact CA-O 3.4Å
354	L	92.7	Very high	92.5	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.5	173.9	-59.6	178.1	0	0	0	110.8	A261 A292 V361 A362	A261-L354 HydrophobicContact CB-CD1 3.89Å; A292-L354 HydrophobicContact CB-CB 3.89Å; A292-L354 HydrophobicContact CB-CD1 4.06Å; A292-L354 HydrophobicContact CB-CG 4.49Å; L354-V361 CarbonylContact O-C 3.53Å; L354-V361 WeakPolarHBondContact O-CA 3.44Å; L354-A362 PolarHBondContact N-O 2.81Å; L354-A362 PolarHBondContact O-N 2.8Å
355	L	89.1	Confident	92.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.3	175.4	-76.1	162.1	0	0	0	111.6	K293 Y294 G295 L297 F300 V361	K293-L355 PolarHBondContact N-O 2.87Å; Y294-L355 PolarHBondContact N-O 3.16Å; G295-L355 PolarHBondContact O-N 2.79Å; L297-L355 HydrophobicContact CB-CG 4.46Å; L297-L355 HydrophobicContact CD1-CD1 4.3Å; L297-L355 HydrophobicContact CD1-CD2 4.08Å; L297-L355 HydrophobicContact CD1-CG 4.28Å; F300-L355 HydrophobicContact CB-CD1 3.3Å; F300-L355 HydrophobicContact CD1-CD1 3.51Å; F300-L355 HydrophobicContact CD2-CD1 3.78Å; F300-L355 HydrophobicContact CE1-CD1 4.17Å; F300-L355 HydrophobicContact CE2-CD1 4.42Å; F300-L355 HydrophobicContact CG-CD1 3.25Å; L355-V361 HydrophobicContact CD2-CG1 3.58Å; L355-V361 HydrophobicContact CG-CG1 4.46Å
356	K	84.9	Confident	92.1	Very high	32 Å²	32	21.2 Å²	21.2	14%	0.139	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-50.7	174.1	-54.6	-163.8	158.7	162.5	0	111.2	S258 I260 N291 K293 R360 A362	S258-K356 PolarHBondContact O-NZ 2.8Å; I260-K356 PolarHBondContact O-NZ 3.48Å; N291-K356 HydrophobicContact CB-CD 4.18Å; N291-K356 WeakPolarHBondContact O-CA 3.36Å; N291-K356 WeakPolarHBondContact O-CB 3.38Å; N291-K356 WeakPolarHBondContact O-CG 3.24Å; K293-K356 WeakPolarHBondContact CB-O 3.3Å; K356-R360 HydrophobicContact CB-CB 4.17Å; K356-R360 PolarHBondContact N-O 2.91Å; K356-A362 HydrophobicContact CD-CB 4.12Å; K356-A362 HydrophobicContact CG-CB 4.18Å
357	C	79.5	Confident	91.8	Very high	48 Å²	48	18.4 Å²	18.4	32%	0.324	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	175.5	164.8	78.7	0	0	0	0	110.1	Y294 T359 R360	Y294-C357 VanDerWaalsContact CE2-CA 3.49Å; Y294-C357 HydrophobicContact CE2-CB 4.06Å; C357-T359 PolarHBondContact O-N 2.83Å; C357-R360 PolarHBondContact N-O 3.28Å; C357-R360 PolarHBondContact O-N 2.9Å; C357-R360 VanDerWaalsContact SG-CB 3.52Å; C357-R360 WeakPolarHBondContact SG-CD 3.42Å; C357-R360 WeakPolarHBondContact SG-CG 3.44Å
358	R	75.1	Confident	91.5	Very high	92 Å²	92	18 Å²	18	35%	0.347	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.3	-37.4	-168.9	-75.6	-175.4	179.1	136.1	2.3	115.8	Y294 M327	Y294-R358 HydrophobicContact CE1-CG 4.36Å; M327-R358 WeakPolarHBondContact CE-O 3.31Å
359	T	84.1	Confident	91.3	Very high	40 Å²	40	18.3 Å²	18.3	25%	0.245	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	6.7	179.7	57.7	0	0	0	0	113.6	Q323 M327 Q330 C357	Q323-T359 HydrophobicContact CB-CG2 4.12Å; Q323-T359 HydrophobicContact CG-CG2 3.87Å; M327-T359 HydrophobicContact CE-CG2 4.08Å; Q330-T359 PolarHBondContact NE2-O 3.47Å; C357-T359 PolarHBondContact O-N 2.83Å
360	R	91.8	Very high	91.1	Very high	117 Å²	117	22.3 Å²	22.3	44%	0.442	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.2	176.1	-68.4	-175.5	74.2	106.4	6.4	109.9	Q330 K356 C357	Q330-R360 VanDerWaalsContact OE1-CA 3.25Å; K356-R360 HydrophobicContact CB-CB 4.17Å; K356-R360 PolarHBondContact N-O 2.91Å; C357-R360 PolarHBondContact N-O 3.28Å; C357-R360 PolarHBondContact O-N 2.9Å; C357-R360 VanDerWaalsContact SG-CB 3.52Å; C357-R360 WeakPolarHBondContact SG-CD 3.42Å; C357-R360 WeakPolarHBondContact SG-CG 3.44Å
361	V	95	Very high	91	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	153.6	-179.1	-65.4	0	0	0	0	110.5	H259 L297 M327 Q330 I331 L354 L355	H259-V361 PolarHBondContact ND1-O 3.33Å; L297-V361 HydrophobicContact CD1-CG1 3.94Å; L297-V361 HydrophobicContact CD2-CG1 3.88Å; L297-V361 HydrophobicContact CG-CG1 4.43Å; M327-V361 HydrophobicContact CB-CG1 4.27Å; M327-V361 HydrophobicContact CB-CG2 4.23Å; M327-V361 HydrophobicContact CG-CG1 3.96Å; M327-V361 WeakPolarHBondContact O-CG2 3.36Å; M327-V361 HydrophobicContact SD-CG1 4.39Å; Q330-V361 HydrophobicContact CB-CG2 3.52Å; Q330-V361 HydrophobicContact CG-CG2 4.39Å; I331-V361 HydrophobicContact CG1-CG2 3.92Å; L354-V361 CarbonylContact O-C 3.53Å; L354-V361 WeakPolarHBondContact O-CA 3.44Å; L355-V361 HydrophobicContact CD2-CG1 3.58Å; L355-V361 HydrophobicContact CG-CG1 4.46Å
362	A	94.6	Very high	90.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.1	167.5	0	0	0	0	0	110.9	H259 A261 C353 L354 K356	H259-A362 CarbonylContact O-C 3.47Å; H259-A362 WeakPolarHBondContact O-CA 3.15Å; A261-A362 HydrophobicContact CB-CB 4.17Å; C353-A362 CarbonylContact C-O 3.43Å; C353-A362 WeakPolarHBondContact CA-O 3.4Å; L354-A362 PolarHBondContact N-O 2.81Å; L354-A362 PolarHBondContact O-N 2.8Å; K356-A362 HydrophobicContact CD-CB 4.12Å; K356-A362 HydrophobicContact CG-CB 4.18Å
363	L	95.8	Very high	90.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.8	174	-170.6	59.6	0	0	0	109.2	H259 I260 A261 A334 L338 H345 I348	H259-L363 PolarHBondContact O-N 3.37Å; I260-L363 CarbonylContact C-O 3.28Å; I260-L363 WeakPolarHBondContact CA-O 3.24Å; A261-L363 PolarHBondContact N-O 3.04Å; A334-L363 HydrophobicContact CB-CB 3.83Å; A334-L363 HydrophobicContact CB-CD2 4.16Å; L338-L363 HydrophobicContact CD1-CD2 4.12Å; H345-L363 VanDerWaalsContact CD2-CD2 3.45Å; H345-L363 WeakPolarHBondContact CD2-CD2 3.49Å; H345-L363 WeakPolarHBondContact NE2-CG 3.35Å; I348-L363 HydrophobicContact CD1-CD2 4.48Å; I348-L363 HydrophobicContact CG1-CD2 4.37Å; I348-L363 HydrophobicContact CG2-CD1 4.23Å
364	S	93.7	Very high	90.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	162.1	-178.6	-170.3	0	0	0	0	109.5	K231 H345 N352	K231-S364 PolarHBondContact NZ-OG 3.3Å; K231-S364 VanDerWaalsContact NZ-OG 3.12Å; H345-S364 PolarHBondContact NE2-O 3.17Å; H345-S364 VanDerWaalsContact NE2-O 3.09Å; N352-S364 PolarHBondContact O-N 3.49Å
365	D	92.6	Very high	91	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	17%	0.169	C	C	.	.			trans	-59.6	165.8	170.1	64.7	82.6	0	0	0	112.3	K231 D248 F252 Y289 A367	K231-D365 PolarHBondContact NZ-O 3.06Å; K231-D365 IonicContact NZ-OD1 2.78Å; K231-D365 PolarHBondContact NZ-OD1 3.06Å; K231-D365 IonicContact NZ-OD2 2.67Å; K231-D365 PolarHBondContact NZ-OD2 3.22Å; D248-D365 WeakPolarHBondContact O-CB 3.43Å; F252-D365 HydrophobicContact CD2-CB 4.09Å; F252-D365 HydrophobicContact CE2-CB 4.03Å; Y289-D365 WeakPolarHBondContact CE1-OD2 3.49Å; Y289-D365 PolarHBondContact OH-OD2 3.37Å; D365-A367 WeakPolarHBondContact OD1-CB 3.45Å; D365-A367 PolarHBondContact OD1-N 2.91Å
366	S	90.4	Very high	91.5	Very high	13 Å²	13	35 Å²	35	9%	0.091	17%	0.17	C	C	.	.			trans	-101.1	17.8	-177.7	-48.9	0	0	0	0	113.4	D347 N352 L368 S369	D347-S366 WeakPolarHBondContact CB-OG 3.38Å; D347-S366 WeakPolarHBondContact OD2-CB 3.34Å; D347-S366 PolarHBondContact OD2-OG 2.88Å; N352-S366 PolarHBondContact ND2-OG 3.33Å; S366-L368 PolarHBondContact O-N 3.45Å; S366-L368 VanDerWaalsContact O-N 3.1Å; S366-S369 VanDerWaalsContact CA-OG 3.32Å; S366-S369 WeakPolarHBondContact CA-OG 2.97Å; S366-S369 WeakPolarHBondContact O-CB 3.15Å; S366-S369 PolarHBondContact O-N 3.44Å; S366-S369 PolarHBondContact O-OG 3.34Å
367	A	87.6	Confident	92.1	Very high	10 Å²	10	34.1 Å²	34.1	8%	0.083	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.2	-164	0	0	0	0	0	114.5	F245 D248 A249 D365	F245-A367 HydrophobicContact CD2-CB 3.58Å; F245-A367 HydrophobicContact CE2-CB 4.09Å; F245-A367 WeakPolarHBondContact O-CB 3.23Å; D248-A367 HydrophobicContact CB-CB 3.77Å; A249-A367 HydrophobicContact CB-CB 4Å; D365-A367 WeakPolarHBondContact OD1-CB 3.45Å; D365-A367 PolarHBondContact OD1-N 2.91Å
368	L	91.7	Very high	92.9	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	0.5	176.2	-63.3	-172.7	0	0	0	113.3	S204 K231 L233 F245 S366 R370 D371 L372	S204-L368 VanDerWaalsContact CB-CD2 3.49Å; K231-L368 HydrophobicContact CB-CD1 3.66Å; K231-L368 HydrophobicContact CB-CG 4.42Å; K231-L368 HydrophobicContact CD-CD1 4.04Å; K231-L368 HydrophobicContact CD-CG 4.19Å; K231-L368 HydrophobicContact CG-CD1 3.8Å; K231-L368 HydrophobicContact CG-CG 4.49Å; L233-L368 HydrophobicContact CD2-CD2 3.82Å; F245-L368 HydrophobicContact CD2-CD2 3.34Å; F245-L368 HydrophobicContact CD2-CG 3.88Å; F245-L368 HydrophobicContact CE2-CD1 4.16Å; F245-L368 HydrophobicContact CE2-CD2 3.52Å; F245-L368 HydrophobicContact CE2-CG 3.67Å; F245-L368 HydrophobicContact CG-CD2 4.18Å; F245-L368 HydrophobicContact CZ-CD2 4.42Å; S366-L368 PolarHBondContact O-N 3.45Å; S366-L368 VanDerWaalsContact O-N 3.1Å; L368-R370 VanDerWaalsContact C-N 3.33Å; L368-R370 PolarHBondContact O-N 3.26Å; L368-D371 PolarHBondContact O-N 2.96Å; L368-L372 HydrophobicContact CB-CD1 3.72Å; L368-L372 HydrophobicContact CB-CG 4.01Å; L368-L372 HydrophobicContact CD1-CD1 4.29Å; L368-L372 WeakPolarHBondContact O-CG 3.47Å; L368-L372 PolarHBondContact O-N 3.4Å
369	S	93.7	Very high	93.7	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-69.9	-32.2	-163	-56	0	0	0	0	113	N352 S366 D371 L372 F373 Y377	N352-S369 VanDerWaalsContact OD1-CB 3.29Å; N352-S369 WeakPolarHBondContact OD1-CB 3.02Å; N352-S369 PolarHBondContact OD1-OG 3.48Å; S366-S369 VanDerWaalsContact CA-OG 3.32Å; S366-S369 WeakPolarHBondContact CA-OG 2.97Å; S366-S369 WeakPolarHBondContact O-CB 3.15Å; S366-S369 PolarHBondContact O-N 3.44Å; S366-S369 PolarHBondContact O-OG 3.34Å; S369-D371 PolarHBondContact O-N 2.9Å; S369-L372 PolarHBondContact O-N 3.5Å; S369-F373 PolarHBondContact O-N 2.87Å; S369-Y377 VanDerWaalsContact C-CE2 3.44Å; S369-Y377 WeakPolarHBondContact CB-OH 3.43Å; S369-Y377 VanDerWaalsContact O-CE2 3.28Å; S369-Y377 WeakPolarHBondContact O-CE2 3.44Å
370	R	94.6	Very high	94.1	Very high	84 Å²	84	31.7 Å²	31.7	32%	0.317	16%	0.156	S	C	.	.	H	α-helix	trans	-59.9	-33	173	-59.7	-177.3	-171	105	6.4	112.8	D248 L368 Y377 N385	D248-R370 IonicContact OD2-NH1 3.53Å; D248-R370 IonicContact OD2-NH2 3.92Å; L368-R370 VanDerWaalsContact C-N 3.33Å; L368-R370 PolarHBondContact O-N 3.26Å; R370-Y377 HydrophobicContact CB-CD1 4.5Å; R370-Y377 HydrophobicContact CB-CG 4.43Å; R370-Y377 HydrophobicContact CG-CD1 3.68Å; R370-Y377 HydrophobicContact CG-CE1 3.77Å; R370-Y377 HydrophobicContact CG-CG 4.09Å; R370-N385 PolarHBondContact NE-O 3.3Å
371	D	95.5	Very high	93.9	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-90.2	-36.2	-178.9	-169.8	42	0	0	0	112.2	G201 T202 F203 S204 L368 S369	G201-D371 VanDerWaalsContact CA-OD2 3.29Å; G201-D371 WeakPolarHBondContact CA-OD2 3.43Å; T202-D371 WeakPolarHBondContact CA-OD1 3.44Å; T202-D371 WeakPolarHBondContact CB-OD1 3.36Å; T202-D371 VanDerWaalsContact N-CG 3.31Å; T202-D371 PolarHBondContact N-OD1 3.3Å; T202-D371 PolarHBondContact N-OD2 3.46Å; T202-D371 VanDerWaalsContact N-OD2 3.15Å; T202-D371 PolarHBondContact OG1-OD1 3.32Å; F203-D371 HydrophobicContact CD1-CB 4.26Å; F203-D371 VanDerWaalsContact CD1-OD1 3.29Å; F203-D371 WeakPolarHBondContact CD1-OD1 3.46Å; F203-D371 HydrophobicContact CE1-CB 3.65Å; F203-D371 VanDerWaalsContact CE1-CG 3.45Å; F203-D371 VanDerWaalsContact CE1-OD1 3.3Å; F203-D371 WeakPolarHBondContact CE1-OD1 3.42Å; F203-D371 HydrophobicContact CE2-CB 3.95Å; F203-D371 HydrophobicContact CZ-CB 3.5Å; F203-D371 VanDerWaalsContact CZ-CB 3.5Å; F203-D371 PolarHBondContact N-OD1 2.8Å; F203-D371 PolarHBondContact N-OD2 2.79Å; S204-D371 WeakPolarHBondContact CA-OD2 3.43Å; S204-D371 VanDerWaalsContact CB-OD2 3.24Å; S204-D371 WeakPolarHBondContact CB-OD2 3.33Å; S204-D371 PolarHBondContact N-OD2 3.4Å; S204-D371 PolarHBondContact OG-OD2 3.14Å; L368-D371 PolarHBondContact O-N 2.96Å; S369-D371 PolarHBondContact O-N 2.9Å
372	L	94.8	Very high	93.4	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.136	18%	0.179	C	C	.	.	H	α-helix	trans	-83.2	-20.9	-177.6	-61.8	-178.9	0	0	0	113.4	L199 L206 L368 S369	L199-L372 HydrophobicContact CB-CD1 4.42Å; L199-L372 HydrophobicContact CB-CD2 4Å; L199-L372 HydrophobicContact CD1-CD1 4.41Å; L206-L372 HydrophobicContact CB-CD1 4.29Å; L368-L372 HydrophobicContact CB-CD1 3.72Å; L368-L372 HydrophobicContact CB-CG 4.01Å; L368-L372 HydrophobicContact CD1-CD1 4.29Å; L368-L372 WeakPolarHBondContact O-CG 3.47Å; L368-L372 PolarHBondContact O-N 3.4Å; S369-L372 PolarHBondContact O-N 3.5Å
373	F	96.6	Very high	93	Very high	21 Å²	21	39 Å²	39	9%	0.092	22%	0.22	C	C	.	.			trans	-136.9	57.6	-179.3	-59.8	-83.4	0	0	0	111.4	L199 N296 K298 L299 R351 S369 E375 D376 Y377	L199-F373 HydrophobicContact CD1-CE2 4.22Å; L199-F373 HydrophobicContact CD1-CZ 3.83Å; N296-F373 HydrophobicContact CB-CZ 4.41Å; N296-F373 WeakPolarHBondContact ND2-CZ 3.34Å; N296-F373 WeakPolarHBondContact OD1-CZ 3.38Å; K298-F373 HydrophobicContact CD-CD1 4.41Å; K298-F373 HydrophobicContact CD-CE1 4.49Å; L299-F373 HydrophobicContact CD1-CE1 4.35Å; L299-F373 HydrophobicContact CD1-CZ 4.39Å; L299-F373 HydrophobicContact CD2-CE1 4.06Å; L299-F373 HydrophobicContact CG-CE1 4.02Å; L299-F373 HydrophobicContact CG-CZ 4.36Å; R351-F373 HydrophobicContact CB-CD1 4.08Å; R351-F373 HydrophobicContact CB-CD2 3.75Å; R351-F373 HydrophobicContact CB-CE1 4.17Å; R351-F373 HydrophobicContact CB-CE2 3.85Å; R351-F373 HydrophobicContact CB-CG 3.87Å; R351-F373 HydrophobicContact CB-CZ 4.08Å; R351-F373 HydrophobicContact CG-CD2 4.48Å; S369-F373 PolarHBondContact O-N 2.87Å; F373-E375 PolarHBondContact O-N 3.4Å; F373-E375 VanDerWaalsContact O-N 3.16Å; F373-D376 HydrophobicContact CB-CB 4.36Å; F373-D376 WeakPolarHBondContact O-CB 3.44Å; F373-D376 PolarHBondContact O-N 2.74Å; F373-Y377 WeakPolarHBondContact O-CD2 3.13Å
374	P	95.6	Very high	92.6	Very high	74 Å²	74	41.6 Å²	41.6	48%	0.481	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-57.2	-35	-172	23.8	-34.4	0	0	0	113.3	D376 Y377	P374-D376 PolarHBondContact O-N 3.47Å; P374-D376 VanDerWaalsContact O-N 3.11Å; P374-Y377 PolarHBondContact O-N 2.7Å; P374-Y377 VanDerWaalsContact O-O 3.04Å
375	E	95.1	Very high	92.5	Very high	149 Å²	149	45.1 Å²	45.1	70%	0.696	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-61.6	-17.9	177.5	-56.9	-54.3	139.3	0	0	114.7	F373	F373-E375 PolarHBondContact O-N 3.4Å; F373-E375 VanDerWaalsContact O-N 3.16Å
376	D	97.9	Very high	92.6	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-89.6	-9.7	177.3	-74.9	-2.9	0	0	0	112.7	K298 R351 F373 P374 P387 W390 Q423	K298-D376 IonicContact NZ-OD1 3.48Å; K298-D376 PolarHBondContact NZ-OD1 3.49Å; K298-D376 IonicContact NZ-OD2 3.8Å; K298-D376 PolarHBondContact NZ-OD2 3.46Å; R351-D376 WeakPolarHBondContact CD-OD2 3.09Å; R351-D376 IonicContact CZ-OD2 3.35Å; R351-D376 IonicContact NE-OD2 3.5Å; R351-D376 IonicContact NH1-OD2 2.79Å; R351-D376 PolarHBondContact NH1-OD2 2.86Å; F373-D376 HydrophobicContact CB-CB 4.36Å; F373-D376 WeakPolarHBondContact O-CB 3.44Å; F373-D376 PolarHBondContact O-N 2.74Å; P374-D376 PolarHBondContact O-N 3.47Å; P374-D376 VanDerWaalsContact O-N 3.11Å; D376-P387 WeakPolarHBondContact O-CA 3.32Å; D376-W390 HydrophobicContact CB-CH2 3.92Å; D376-W390 HydrophobicContact CB-CZ3 3.8Å; D376-W390 WeakPolarHBondContact OD1-CH2 3.48Å; D376-Q423 PolarHBondContact OD1-NE2 3.25Å; D376-Q423 PolarHBondContact OD1-OE1 3.23Å; D376-Q423 VanDerWaalsContact OD1-OE1 3.05Å
377	Y	97.6	Very high	93	Very high	13 Å²	13	45.6 Å²	45.6	5%	0.051	26%	0.255	C	S	.	.			trans	-119.1	136	-174.9	-66.1	-97.5	0	0	0	111.5	D347 R351 S369 R370 F373 P374 R386 P387	D347-Y377 PolarHBondContact OD2-OH 3.4Å; R351-Y377 PolarHBondContact NE-OH 3.46Å; S369-Y377 VanDerWaalsContact C-CE2 3.44Å; S369-Y377 WeakPolarHBondContact CB-OH 3.43Å; S369-Y377 VanDerWaalsContact O-CE2 3.28Å; S369-Y377 WeakPolarHBondContact O-CE2 3.44Å; R370-Y377 HydrophobicContact CB-CD1 4.5Å; R370-Y377 HydrophobicContact CB-CG 4.43Å; R370-Y377 HydrophobicContact CG-CD1 3.68Å; R370-Y377 HydrophobicContact CG-CE1 3.77Å; R370-Y377 HydrophobicContact CG-CG 4.09Å; F373-Y377 WeakPolarHBondContact O-CD2 3.13Å; P374-Y377 PolarHBondContact O-N 2.7Å; P374-Y377 VanDerWaalsContact O-O 3.04Å; Y377-R386 WeakPolarHBondContact CA-O 3.12Å; Y377-P387 HydrophobicContact CD1-CB 4.25Å; Y377-P387 HydrophobicContact CE1-CB 3.97Å; Y377-P387 HydrophobicContact CE1-CG 4.2Å
378	H	97	Very high	93.5	Very high	48 Å²	48	45.1 Å²	45.1	22%	0.222	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.4	-178.7	-52.6	-82.1	0	0	0	110.7	R386 V388 A430	H378-R386 PolarHBondContact N-O 3.49Å; H378-R386 PolarHBondContact O-N 3.44Å; H378-V388 HydrophobicContact CB-CG2 3.99Å; H378-A430 HydrophobicContact CB-CB 3.61Å; H378-A430 WeakPolarHBondContact CD2-CB 3.41Å
379	C	92.9	Very high	93.8	Very high	39 Å²	39	45.7 Å²	45.7	26%	0.264	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.6	172.8	-179.6	0	0	0	0	108.9	G381 N383 N385 F431	C379-G381 VanDerWaalsContact C-N 3.25Å; C379-G381 PolarHBondContact O-N 2.84Å; C379-N383 WeakPolarHBondContact SG-CA 3.23Å; C379-N383 PolarHBondContact SG-N 3.34Å; C379-N385 WeakPolarHBondContact CB-OD1 3.15Å; C379-N385 PolarHBondContact N-OD1 2.76Å; C379-F431 WeakPolarHBondContact O-CE1 3.33Å; C379-F431 WeakPolarHBondContact O-CZ 3.35Å
380	L	91	Very high	94	Very high	42 Å²	42	45.3 Å²	45.3	22%	0.22	25%	0.251	C	S	.	.			trans	-93.8	46	179.1	-57.3	-178.2	0	0	0	111.3	D382 V388 L396 A430 F431	L380-D382 VanDerWaalsContact C-N 3.34Å; L380-D382 PolarHBondContact O-N 2.93Å; L380-V388 HydrophobicContact CD1-CG1 4.17Å; L380-V388 HydrophobicContact CD1-CG2 3.8Å; L380-V388 HydrophobicContact CD2-CG2 4.03Å; L380-V388 HydrophobicContact CG-CG2 3.84Å; L380-L396 HydrophobicContact CD1-CD2 4.4Å; L380-A430 HydrophobicContact CD2-CB 4.48Å; L380-F431 HydrophobicContact CD2-CD1 3.91Å; L380-F431 HydrophobicContact CD2-CE1 4.18Å; L380-F431 HydrophobicContact CD2-CG 4.24Å
381	G	87.4	Confident	94.2	Very high	70 Å²	70	41.5 Å²	41.5	72%	0.722	24%	0.237	S	C	*	.	S	Bend	trans	79.1	6.8	177.7	0	0	0	0	0	116	C379	C379-G381 VanDerWaalsContact C-N 3.25Å; C379-G381 PolarHBondContact O-N 2.84Å
382	D	86.4	Confident	94.4	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	24%	0.235	C	C	.	.	S	Bend	trans	-118.6	21.8	-175.1	61.3	7.2	0	0	0	113.8	L380 T384 R386 R399	L380-D382 VanDerWaalsContact C-N 3.34Å; L380-D382 PolarHBondContact O-N 2.93Å; D382-T384 PolarHBondContact O-N 3.18Å; D382-T384 PolarHBondContact O-OG1 2.86Å; D382-T384 VanDerWaalsContact O-OG1 3.13Å; D382-T384 PolarHBondContact OD1-N 3Å; D382-R386 IonicContact OD1-CZ 2.81Å; D382-R386 IonicContact OD1-NH1 3.86Å; D382-R386 IonicContact OD1-NH2 2.82Å; D382-R386 IonicContact OD2-CZ 3.76Å; D382-R386 IonicContact OD2-NH1 3.87Å; D382-R386 PolarHBondContact OD2-NH1 3.1Å; D382-R386 IonicContact OD2-NH2 2.68Å; D382-R386 PolarHBondContact OD2-NH2 2.72Å; D382-R399 VanDerWaalsContact CB-NH2 3.32Å; D382-R399 VanDerWaalsContact CG-NH2 3.28Å; D382-R399 IonicContact OD2-CZ 3.75Å; D382-R399 IonicContact OD2-NE 3.62Å; D382-R399 IonicContact OD2-NH2 2.87Å; D382-R399 PolarHBondContact OD2-NH2 2.73Å
383	N	84.6	Confident	94.5	Very high	160 Å²	160	40.5 Å²	40.5	86%	0.856	23%	0.232	S	C	*	.	S	Bend	trans	53.9	18.7	-178.6	-63.6	-31.7	0	0	0	114.8	C379	C379-N383 WeakPolarHBondContact SG-CA 3.23Å; C379-N383 PolarHBondContact SG-N 3.34Å
384	T	87.3	Confident	94.6	Very high	57 Å²	57	40.4 Å²	40.4	35%	0.35	23%	0.232	S	C	.	.			trans	-119.7	110.3	-179.1	-52.7	0	0	0	0	110.5	D382 R386	D382-T384 PolarHBondContact O-N 3.18Å; D382-T384 PolarHBondContact O-OG1 2.86Å; D382-T384 VanDerWaalsContact O-OG1 3.13Å; D382-T384 PolarHBondContact OD1-N 3Å; T384-R386 HydrophobicContact CG2-CG 4.17Å; T384-R386 PolarHBondContact O-N 2.75Å
385	N	92.4	Very high	94.6	Very high	76 Å²	76	36.9 Å²	36.9	41%	0.406	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.3	174.7	-80.3	-22.3	0	0	0	111	R370 C379	R370-N385 PolarHBondContact NE-O 3.3Å; C379-N385 WeakPolarHBondContact CB-OD1 3.15Å; C379-N385 PolarHBondContact N-OD1 2.76Å
386	R	94.9	Very high	94.7	Very high	16 Å²	16	30.5 Å²	30.5	6%	0.06	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153	-179	-70.8	-173	-67	-105.6	-6.2	111.8	Y377 H378 D382 T384 V388 L391	Y377-R386 WeakPolarHBondContact CA-O 3.12Å; H378-R386 PolarHBondContact N-O 3.49Å; H378-R386 PolarHBondContact O-N 3.44Å; D382-R386 IonicContact OD1-CZ 2.81Å; D382-R386 IonicContact OD1-NH1 3.86Å; D382-R386 IonicContact OD1-NH2 2.82Å; D382-R386 IonicContact OD2-CZ 3.76Å; D382-R386 IonicContact OD2-NH1 3.87Å; D382-R386 PolarHBondContact OD2-NH1 3.1Å; D382-R386 IonicContact OD2-NH2 2.68Å; D382-R386 PolarHBondContact OD2-NH2 2.72Å; T384-R386 HydrophobicContact CG2-CG 4.17Å; T384-R386 PolarHBondContact O-N 2.75Å; R386-V388 HydrophobicContact CB-CG2 4.33Å; R386-V388 PolarHBondContact O-N 3.1Å; R386-L391 HydrophobicContact CB-CD1 4.02Å
387	P	97.9	Very high	94.5	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.058	20%	0.196	C	C	.	.			trans	-78.8	61.9	176.3	35.6	-37.4	0	0	0	111.2	D347 D376 Y377 K389 W390 L391	D347-P387 WeakPolarHBondContact OD1-CG 3.49Å; D376-P387 WeakPolarHBondContact O-CA 3.32Å; Y377-P387 HydrophobicContact CD1-CB 4.25Å; Y377-P387 HydrophobicContact CE1-CB 3.97Å; Y377-P387 HydrophobicContact CE1-CG 4.2Å; P387-K389 PolarHBondContact O-N 3.07Å; P387-W390 HydrophobicContact CB-CB 4.37Å; P387-W390 HydrophobicContact CB-CE3 4.14Å; P387-W390 WeakPolarHBondContact O-CA 3.16Å; P387-W390 PolarHBondContact O-N 3.09Å; P387-L391 HydrophobicContact CG-CD2 4.21Å; P387-L391 HydrophobicContact CG-CG 4.31Å; P387-L391 PolarHBondContact O-N 2.91Å
388	V	98.2	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-46.8	-42.4	-165.9	175.2	0	0	0	0	113.1	H378 L380 R386 W390 L391 L396 A430 M433	H378-V388 HydrophobicContact CB-CG2 3.99Å; L380-V388 HydrophobicContact CD1-CG1 4.17Å; L380-V388 HydrophobicContact CD1-CG2 3.8Å; L380-V388 HydrophobicContact CD2-CG2 4.03Å; L380-V388 HydrophobicContact CG-CG2 3.84Å; R386-V388 HydrophobicContact CB-CG2 4.33Å; R386-V388 PolarHBondContact O-N 3.1Å; V388-W390 PolarHBondContact O-N 2.79Å; V388-L391 PolarHBondContact O-N 3.39Å; V388-L396 HydrophobicContact CB-CD2 4.43Å; V388-L396 HydrophobicContact CG1-CD2 3.8Å; V388-A430 HydrophobicContact CB-CB 4.33Å; V388-A430 HydrophobicContact CG1-CB 4.25Å; V388-A430 WeakPolarHBondContact CG1-O 3.29Å; V388-M433 HydrophobicContact CG1-CB 3.81Å; V388-M433 HydrophobicContact CG1-CG 3.88Å
389	K	98.5	Very high	94.2	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-72.4	-11	-177.3	-58.4	-170.6	177.3	-165.4	0	114.5	P387 P424 Y425 I428 M433	P387-K389 PolarHBondContact O-N 3.07Å; K389-P424 HydrophobicContact CB-CG 4.17Å; K389-P424 VanDerWaalsContact CD-O 3.23Å; K389-P424 WeakPolarHBondContact CD-O 3.4Å; K389-Y425 HydrophobicContact CB-CD2 4.26Å; K389-Y425 PolarHBondContact NZ-O 3.09Å; K389-I428 VanDerWaalsContact CE-O 3.32Å; K389-I428 WeakPolarHBondContact CE-O 3.48Å; K389-I428 PolarHBondContact NZ-O 3.15Å; K389-M433 HydrophobicContact CG-CG 4.29Å; K389-M433 HydrophobicContact CG-SD 4.26Å
390	W	98.7	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-100.5	-14.6	173.2	-72.1	-104.4	0	0	0	113.2	A349 R351 D376 P387 V388 W408 S409 I412 E416 P424	A349-W390 HydrophobicContact CB-CG 4.36Å; R351-W390 VanDerWaalsContact NH1-CH2 3.28Å; D376-W390 HydrophobicContact CB-CH2 3.92Å; D376-W390 HydrophobicContact CB-CZ3 3.8Å; D376-W390 WeakPolarHBondContact OD1-CH2 3.48Å; P387-W390 HydrophobicContact CB-CB 4.37Å; P387-W390 HydrophobicContact CB-CE3 4.14Å; P387-W390 WeakPolarHBondContact O-CA 3.16Å; P387-W390 PolarHBondContact O-N 3.09Å; V388-W390 PolarHBondContact O-N 2.79Å; W390-W408 VanDerWaalsContact O-CD1 3.23Å; W390-S409 PolarHBondContact O-OG 3.3Å; W390-S409 VanDerWaalsContact O-OG 3.08Å; W390-I412 VanDerWaalsContact CD1-CG2 3.43Å; W390-I412 HydrophobicContact CD2-CG2 4.32Å; W390-I412 HydrophobicContact CG-CB 4.42Å; W390-I412 HydrophobicContact CG-CG2 3.93Å; W390-E416 PolarHBondContact NE1-OE2 3.36Å; W390-P424 HydrophobicContact CD2-CG 4.2Å; W390-P424 HydrophobicContact CE3-CG 4.33Å; W390-P424 HydrophobicContact CH2-CG 3.57Å; W390-P424 HydrophobicContact CZ2-CG 3.43Å; W390-P424 VanDerWaalsContact CZ2-CG 3.43Å; W390-P424 HydrophobicContact CZ3-CG 4.05Å
391	L	98.5	Very high	94.6	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	-79.8	144.9	-172.8	-67.5	-178.6	0	0	0	112.7	R386 P387 V388 A395 L396 Y401 W408	R386-L391 HydrophobicContact CB-CD1 4.02Å; P387-L391 HydrophobicContact CG-CD2 4.21Å; P387-L391 HydrophobicContact CG-CG 4.31Å; P387-L391 PolarHBondContact O-N 2.91Å; V388-L391 PolarHBondContact O-N 3.39Å; L391-A395 HydrophobicContact CB-CB 4.31Å; L391-A395 HydrophobicContact CD2-CB 4.39Å; L391-L396 HydrophobicContact CB-CD2 3.81Å; L391-L396 HydrophobicContact CB-CG 3.87Å; L391-L396 HydrophobicContact CD1-CD2 3.9Å; L391-L396 HydrophobicContact CG-CD2 4.46Å; L391-Y401 HydrophobicContact CD2-CE1 4Å; L391-W408 PolarHBondContact O-NE1 3.34Å
392	A	98.4	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.			trans	-69.4	157.6	170.4	0	0	0	0	0	111.7	E394 A395 L396 T405 W408	A392-E394 VanDerWaalsContact C-N 3.32Å; A392-E394 WeakPolarHBondContact CB-OE2 3.47Å; A392-E394 PolarHBondContact O-N 3.23Å; A392-A395 HydrophobicContact CB-CB 4.47Å; A392-A395 WeakPolarHBondContact O-CB 3.32Å; A392-A395 PolarHBondContact O-N 3.1Å; A392-L396 PolarHBondContact O-N 3.42Å; A392-T405 HydrophobicContact CB-CG2 4.02Å; A392-W408 HydrophobicContact CB-CB 3.72Å; A392-W408 HydrophobicContact CB-CD2 3.83Å; A392-W408 HydrophobicContact CB-CE3 4.07Å; A392-W408 HydrophobicContact CB-CG 3.69Å
393	L	97.7	Very high	95.6	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-42	-176.6	-174.3	60.9	0	0	0	112.7	A395 L396 I397 T434 L437 R438 T463	L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 3.2Å; L393-L396 PolarHBondContact O-N 3.16Å; L393-I397 HydrophobicContact CD1-CD1 3.69Å; L393-I397 HydrophobicContact CD1-CG1 4.2Å; L393-I397 HydrophobicContact CD2-CD1 4.34Å; L393-I397 HydrophobicContact CG-CD1 3.65Å; L393-I397 HydrophobicContact CG-CG1 4.47Å; L393-I397 VanDerWaalsContact O-CG1 3.3Å; L393-I397 WeakPolarHBondContact O-CG1 3.41Å; L393-I397 PolarHBondContact O-N 2.97Å; L393-T434 HydrophobicContact CD1-CG2 4.25Å; L393-L437 HydrophobicContact CD1-CB 3.92Å; L393-R438 HydrophobicContact CD1-CG 4.08Å; L393-R438 HydrophobicContact CD2-CG 4.13Å; L393-T463 HydrophobicContact CD2-CG2 4.15Å
394	E	97.7	Very high	96.3	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-30.3	175.7	69.4	-81.2	-163.4	0	0	113.1	A392 E398 R399 K400 T405 P465 R468	A392-E394 VanDerWaalsContact C-N 3.32Å; A392-E394 WeakPolarHBondContact CB-OE2 3.47Å; A392-E394 PolarHBondContact O-N 3.23Å; E394-E398 WeakPolarHBondContact O-CA 3.34Å; E394-E398 WeakPolarHBondContact O-CB 3.45Å; E394-E398 PolarHBondContact O-N 3.15Å; E394-R399 PolarHBondContact O-N 2.92Å; E394-K400 PolarHBondContact O-N 2.84Å; E394-T405 HydrophobicContact CG-CG2 3.93Å; E394-T405 VanDerWaalsContact OE1-CG2 3.28Å; E394-T405 WeakPolarHBondContact OE1-CG2 3.43Å; E394-P465 HydrophobicContact CG-CG 4.19Å; E394-R468 IonicContact OE1-CZ 3.41Å; E394-R468 IonicContact OE1-NH1 2.66Å; E394-R468 PolarHBondContact OE1-NH1 3.08Å; E394-R468 IonicContact OE1-NH2 2.61Å; E394-R468 PolarHBondContact OE1-NH2 3.49Å; E394-R468 IonicContact OE2-CZ 3.86Å; E394-R468 IonicContact OE2-NH1 3.55Å; E394-R468 IonicContact OE2-NH2 3.69Å; E394-R468 PolarHBondContact OE2-NH2 3.18Å
395	A	97.4	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-73.6	-31.9	174.4	0	0	0	0	0	111.5	L391 A392 L393 R399 Y401 T405	L391-A395 HydrophobicContact CB-CB 4.31Å; L391-A395 HydrophobicContact CD2-CB 4.39Å; A392-A395 HydrophobicContact CB-CB 4.47Å; A392-A395 WeakPolarHBondContact O-CB 3.32Å; A392-A395 PolarHBondContact O-N 3.1Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 3.2Å; A395-R399 VanDerWaalsContact O-CA 3.27Å; A395-R399 WeakPolarHBondContact O-CA 3.41Å; A395-R399 PolarHBondContact O-N 3.21Å; A395-Y401 HydrophobicContact CB-CD1 4.33Å; A395-Y401 HydrophobicContact CB-CE1 4.08Å; A395-T405 HydrophobicContact CB-CG2 4.17Å
396	L	95.8	Very high	97.1	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-73	-41.4	175.2	-69.8	172.2	0	0	0	112.6	L380 V388 L391 A392 L393 L437	L380-L396 HydrophobicContact CD1-CD2 4.4Å; V388-L396 HydrophobicContact CB-CD2 4.43Å; V388-L396 HydrophobicContact CG1-CD2 3.8Å; L391-L396 HydrophobicContact CB-CD2 3.81Å; L391-L396 HydrophobicContact CB-CG 3.87Å; L391-L396 HydrophobicContact CD1-CD2 3.9Å; L391-L396 HydrophobicContact CG-CD2 4.46Å; A392-L396 PolarHBondContact O-N 3.42Å; L393-L396 PolarHBondContact O-N 3.16Å; L396-L437 HydrophobicContact CD1-CD1 3.8Å
397	I	94.6	Very high	97.3	Very high	71 Å²	71	34.8 Å²	34.8	36%	0.364	16%	0.163	S	C	.	.	H	α-helix	trans	-84.1	-52.2	-175.1	-61.9	166.4	0	0	0	111.3	L393 T434 R438	L393-I397 HydrophobicContact CD1-CD1 3.69Å; L393-I397 HydrophobicContact CD1-CG1 4.2Å; L393-I397 HydrophobicContact CD2-CD1 4.34Å; L393-I397 HydrophobicContact CG-CD1 3.65Å; L393-I397 HydrophobicContact CG-CG1 4.47Å; L393-I397 VanDerWaalsContact O-CG1 3.3Å; L393-I397 WeakPolarHBondContact O-CG1 3.41Å; L393-I397 PolarHBondContact O-N 2.97Å; I397-T434 HydrophobicContact CD1-CG2 4.39Å; I397-T434 HydrophobicContact CG1-CG2 3.78Å; I397-R438 VanDerWaalsContact CD1-NH2 3.35Å
398	E	94	Very high	97.4	Very high	129 Å²	129	34.4 Å²	34.4	60%	0.603	16%	0.161	S	C	*	.	S	Bend	trans	-105.5	-4.4	-167.9	-60	172.7	-168.3	0	0	112.5	E394 K400	E394-E398 WeakPolarHBondContact O-CA 3.34Å; E394-E398 WeakPolarHBondContact O-CB 3.45Å; E394-E398 PolarHBondContact O-N 3.15Å; E398-K400 HydrophobicContact CB-CB 4.12Å; E398-K400 PolarHBondContact O-N 2.97Å; E398-K400 VanDerWaalsContact O-N 3.16Å
399	R	93.7	Very high	97.4	Very high	131 Å²	131	34.5 Å²	34.5	49%	0.494	16%	0.161	S	C	.	.			trans	52.8	30.1	-168.6	-56.3	-173.8	-179.1	-174.5	8.4	112.9	D382 E394 A395 Y401	D382-R399 VanDerWaalsContact CB-NH2 3.32Å; D382-R399 VanDerWaalsContact CG-NH2 3.28Å; D382-R399 IonicContact OD2-CZ 3.75Å; D382-R399 IonicContact OD2-NE 3.62Å; D382-R399 IonicContact OD2-NH2 2.87Å; D382-R399 PolarHBondContact OD2-NH2 2.73Å; E394-R399 PolarHBondContact O-N 2.92Å; A395-R399 VanDerWaalsContact O-CA 3.27Å; A395-R399 WeakPolarHBondContact O-CA 3.41Å; A395-R399 PolarHBondContact O-N 3.21Å; R399-Y401 HydrophobicContact CB-CE2 4.43Å; R399-Y401 WeakPolarHBondContact O-CD2 3.33Å; R399-Y401 WeakPolarHBondContact O-CE2 3.4Å
400	K	95.2	Very high	97.4	Very high	117 Å²	117	33.9 Å²	33.9	51%	0.509	16%	0.159	S	C	.	.			trans	-87.4	118	178.3	-175.6	175.9	-179.5	175.1	0	109.5	E394 E398 T402 T405	E394-K400 PolarHBondContact O-N 2.84Å; E398-K400 HydrophobicContact CB-CB 4.12Å; E398-K400 PolarHBondContact O-N 2.97Å; E398-K400 VanDerWaalsContact O-N 3.16Å; K400-T402 HydrophobicContact CG-CG2 4.19Å; K400-T405 WeakPolarHBondContact O-CG2 3.47Å
401	Y	96.6	Very high	97.4	Very high	68 Å²	68	33.9 Å²	33.9	27%	0.267	16%	0.159	S	C	.	.			trans	-106.4	131.9	177	-62.6	-87.7	0	0	0	110.4	E346 L391 A395 R399	E346-Y401 HydrophobicContact CB-CD1 4.04Å; E346-Y401 HydrophobicContact CB-CE1 4.35Å; E346-Y401 HydrophobicContact CG-CD1 4.02Å; E346-Y401 HydrophobicContact CG-CG 4.21Å; L391-Y401 HydrophobicContact CD2-CE1 4Å; A395-Y401 HydrophobicContact CB-CD1 4.33Å; A395-Y401 HydrophobicContact CB-CE1 4.08Å; R399-Y401 HydrophobicContact CB-CE2 4.43Å; R399-Y401 WeakPolarHBondContact O-CD2 3.33Å; R399-Y401 WeakPolarHBondContact O-CE2 3.4Å
402	T	97.8	Very high	97.4	Very high	40 Å²	40	33.7 Å²	33.7	25%	0.245	16%	0.158	C	C	.	.			trans	-146.1	170.3	-179.6	67.8	0	0	0	0	110.6	K400 A404 T405 D406	K400-T402 HydrophobicContact CG-CG2 4.19Å; T402-A404 PolarHBondContact O-N 3.21Å; T402-A404 VanDerWaalsContact O-N 3.16Å; T402-A404 PolarHBondContact OG1-N 3.5Å; T402-T405 PolarHBondContact N-OG1 2.69Å; T402-T405 WeakPolarHBondContact O-CB 3.26Å; T402-T405 PolarHBondContact O-N 2.94Å; T402-T405 PolarHBondContact O-OG1 3.49Å; T402-T405 PolarHBondContact OG1-N 2.82Å; T402-D406 PolarHBondContact O-N 2.72Å
403	M	98.2	Very high	97.5	Very high	71 Å²	71	33.7 Å²	33.7	35%	0.35	16%	0.158	S	C	.	.	H	α-helix	trans	-54.5	-32.9	169.3	-64.2	177.8	-176.1	0	0	112.2	H339 I344 T405 D406 V407	H339-M403 HydrophobicContact CB-CE 4.12Å; H339-M403 HydrophobicContact CB-CG 4.22Å; H339-M403 HydrophobicContact CB-SD 3.9Å; H339-M403 PolarHBondContact CE1-O 2.83Å; H339-M403 WeakPolarHBondContact O-CE 3.28Å; I344-M403 HydrophobicContact CG1-CG 4.38Å; M403-T405 VanDerWaalsContact C-N 3.33Å; M403-T405 PolarHBondContact O-N 2.9Å; M403-D406 WeakPolarHBondContact O-CB 3.3Å; M403-D406 PolarHBondContact O-N 3.01Å; M403-V407 WeakPolarHBondContact O-CG2 3.38Å; M403-V407 PolarHBondContact O-N 3.42Å; M403-V407 VanDerWaalsContact O-N 3.1Å
404	A	98.7	Very high	97.5	Very high	20 Å²	20	33.4 Å²	33.4	17%	0.165	16%	0.156	C	C	.	.	H	α-helix	trans	-71.9	-24.5	176.4	0	0	0	0	0	113.3	T402 W408 P465 R468	T402-A404 PolarHBondContact O-N 3.21Å; T402-A404 VanDerWaalsContact O-N 3.16Å; T402-A404 PolarHBondContact OG1-N 3.5Å; A404-W408 PolarHBondContact O-N 2.82Å; A404-P465 HydrophobicContact CB-CB 3.81Å; A404-R468 PolarHBondContact O-NH1 3.27Å
405	T	98.7	Very high	97.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-71.7	-37.7	170.1	62.7	0	0	0	0	111.6	A392 E394 A395 K400 T402 M403 V407 W408 S409	A392-T405 HydrophobicContact CB-CG2 4.02Å; E394-T405 HydrophobicContact CG-CG2 3.93Å; E394-T405 VanDerWaalsContact OE1-CG2 3.28Å; E394-T405 WeakPolarHBondContact OE1-CG2 3.43Å; A395-T405 HydrophobicContact CB-CG2 4.17Å; K400-T405 WeakPolarHBondContact O-CG2 3.47Å; T402-T405 PolarHBondContact N-OG1 2.69Å; T402-T405 WeakPolarHBondContact O-CB 3.26Å; T402-T405 PolarHBondContact O-N 2.94Å; T402-T405 PolarHBondContact O-OG1 3.49Å; T402-T405 PolarHBondContact OG1-N 2.82Å; M403-T405 VanDerWaalsContact C-N 3.33Å; M403-T405 PolarHBondContact O-N 2.9Å; T405-V407 VanDerWaalsContact C-N 3.31Å; T405-V407 PolarHBondContact O-N 3.3Å; T405-W408 WeakPolarHBondContact O-CB 3.32Å; T405-W408 PolarHBondContact O-N 3.05Å; T405-S409 PolarHBondContact O-N 2.87Å; T405-S409 VanDerWaalsContact O-N 3.15Å; T405-S409 PolarHBondContact O-OG 3.05Å
406	D	98.7	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-37.8	172.5	-83.7	-8.7	0	0	0	111.6	H339 H345 E346 I348 T402 M403 W408 S409 V410	H339-D406 IonicContact CD2-OD2 3.64Å; H339-D406 IonicContact CE1-OD2 3.07Å; H339-D406 WeakPolarHBondContact NE2-CB 3.26Å; H339-D406 IonicContact NE2-OD2 3.58Å; H339-D406 PolarHBondContact NE2-OD2 2.82Å; H345-D406 PolarHBondContact N-OD1 3.12Å; H345-D406 PolarHBondContact N-OD2 3.18Å; E346-D406 PolarHBondContact N-OD1 3.14Å; I348-D406 HydrophobicContact CD1-CB 3.86Å; T402-D406 PolarHBondContact O-N 2.72Å; M403-D406 WeakPolarHBondContact O-CB 3.3Å; M403-D406 PolarHBondContact O-N 3.01Å; D406-W408 VanDerWaalsContact C-N 3.28Å; D406-W408 PolarHBondContact O-N 2.72Å; D406-S409 PolarHBondContact O-N 3.37Å; D406-V410 WeakPolarHBondContact O-CB 3.23Å; D406-V410 VanDerWaalsContact O-CG2 3.31Å; D406-V410 WeakPolarHBondContact O-CG2 3.37Å; D406-V410 PolarHBondContact O-N 3.1Å
407	V	98.9	Very high	97.5	Very high	4 Å²	4	33 Å²	33	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-41.9	173.8	170.1	0	0	0	0	111.3	M403 T405 V410 G411 C460 R468 P469 I471 L474	M403-V407 WeakPolarHBondContact O-CG2 3.38Å; M403-V407 PolarHBondContact O-N 3.42Å; M403-V407 VanDerWaalsContact O-N 3.1Å; T405-V407 VanDerWaalsContact C-N 3.31Å; T405-V407 PolarHBondContact O-N 3.3Å; V407-V410 WeakPolarHBondContact O-CB 3.49Å; V407-V410 PolarHBondContact O-N 3.3Å; V407-G411 PolarHBondContact O-N 3.44Å; V407-C460 HydrophobicContact CG1-CB 4.1Å; V407-C460 WeakPolarHBondContact O-CB 3.33Å; V407-R468 HydrophobicContact CG1-CB 4.06Å; V407-P469 HydrophobicContact CG1-CG 4.46Å; V407-P469 WeakPolarHBondContact CG1-O 3.41Å; V407-P469 VanDerWaalsContact CG2-O 3.32Å; V407-P469 WeakPolarHBondContact CG2-O 3.49Å; V407-I471 HydrophobicContact CG2-CD1 3.73Å; V407-I471 HydrophobicContact CG2-CG1 4.08Å; V407-L474 HydrophobicContact CG1-CD1 4.22Å
408	W	98.8	Very high	97.5	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-50.3	176.1	-179.4	-70.6	0	0	0	111.4	W390 L391 A392 A404 T405 D406 V410 G411 I412 L437 W461	W390-W408 VanDerWaalsContact O-CD1 3.23Å; L391-W408 PolarHBondContact O-NE1 3.34Å; A392-W408 HydrophobicContact CB-CB 3.72Å; A392-W408 HydrophobicContact CB-CD2 3.83Å; A392-W408 HydrophobicContact CB-CE3 4.07Å; A392-W408 HydrophobicContact CB-CG 3.69Å; A404-W408 PolarHBondContact O-N 2.82Å; T405-W408 WeakPolarHBondContact O-CB 3.32Å; T405-W408 PolarHBondContact O-N 3.05Å; D406-W408 VanDerWaalsContact C-N 3.28Å; D406-W408 PolarHBondContact O-N 2.72Å; W408-V410 VanDerWaalsContact C-N 3.28Å; W408-V410 PolarHBondContact O-N 3.07Å; W408-G411 WeakPolarHBondContact O-CA 3.42Å; W408-G411 PolarHBondContact O-N 3.3Å; W408-I412 PolarHBondContact O-N 2.94Å; W408-I412 VanDerWaalsContact O-N 3.12Å; W408-L437 HydrophobicContact CH2-CD1 4.27Å; W408-L437 HydrophobicContact CH2-CD2 4.09Å; W408-L437 HydrophobicContact CZ2-CD1 3.76Å; W408-L437 HydrophobicContact CZ2-CD2 3.8Å; W408-L437 HydrophobicContact CZ2-CG 4.38Å; W408-W461 HydrophobicContact CD2-CB 4.45Å; W408-W461 AromaticContact CD2-CD1 3.61Å; W408-W461 HydrophobicContact CD2-CG 4.38Å; W408-W461 AromaticContact CE2-CD1 3.79Å; W408-W461 HydrophobicContact CE3-CB 4.09Å; W408-W461 HydrophobicContact CE3-CG 4.48Å; W408-W461 AromaticContact CG-CD1 3.83Å; W408-W461 HydrophobicContact CH2-CB 4.16Å; W408-W461 HydrophobicContact CZ2-CB 4.49Å; W408-W461 HydrophobicContact CZ3-CB 3.94Å; W408-W461 PolarHBondContact O-NE1 3.42Å
409	S	98.9	Very high	97.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-37.2	178.3	-53.5	0	0	0	0	112.1	I348 W390 T405 D406 I412 T413	I348-S409 WeakPolarHBondContact O-CB 3.24Å; W390-S409 PolarHBondContact O-OG 3.3Å; W390-S409 VanDerWaalsContact O-OG 3.08Å; T405-S409 PolarHBondContact O-N 2.87Å; T405-S409 VanDerWaalsContact O-N 3.15Å; T405-S409 PolarHBondContact O-OG 3.05Å; D406-S409 PolarHBondContact O-N 3.37Å; S409-I412 PolarHBondContact O-N 3.25Å; S409-T413 PolarHBondContact O-N 3.37Å; S409-T413 PolarHBondContact O-OG1 3.39Å
410	V	98.8	Very high	97.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-44.8	170.5	160.1	0	0	0	0	110.9	L332 I348 D406 V407 W408 I412 T413 L414 I471 L474	L332-V410 HydrophobicContact CD2-CG1 3.41Å; L332-V410 VanDerWaalsContact CD2-CG1 3.41Å; I348-V410 HydrophobicContact CB-CG2 4.38Å; I348-V410 HydrophobicContact CD1-CG2 3.81Å; I348-V410 HydrophobicContact CG2-CG2 3.87Å; D406-V410 WeakPolarHBondContact O-CB 3.23Å; D406-V410 VanDerWaalsContact O-CG2 3.31Å; D406-V410 WeakPolarHBondContact O-CG2 3.37Å; D406-V410 PolarHBondContact O-N 3.1Å; V407-V410 WeakPolarHBondContact O-CB 3.49Å; V407-V410 PolarHBondContact O-N 3.3Å; W408-V410 VanDerWaalsContact C-N 3.28Å; W408-V410 PolarHBondContact O-N 3.07Å; V410-I412 VanDerWaalsContact C-N 3.28Å; V410-I412 PolarHBondContact O-N 3.47Å; V410-T413 CarbonylContact O-C 3.48Å; V410-T413 WeakPolarHBondContact O-CA 3.44Å; V410-T413 WeakPolarHBondContact O-CB 3.24Å; V410-T413 PolarHBondContact O-N 3Å; V410-L414 HydrophobicContact CG1-CD1 4.29Å; V410-L414 HydrophobicContact CG1-CG 4.3Å; V410-L414 WeakPolarHBondContact O-CG 3.47Å; V410-L414 PolarHBondContact O-N 2.89Å; V410-I471 HydrophobicContact CB-CD1 4.34Å; V410-I471 HydrophobicContact CG1-CD1 4.37Å; V410-I471 HydrophobicContact CG2-CD1 3.91Å; V410-L474 HydrophobicContact CG1-CD1 4.01Å
411	G	98.8	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55	-44.4	174.3	0	0	0	0	0	112.3	V407 W408 L414 W415 W461	V407-G411 PolarHBondContact O-N 3.44Å; W408-G411 WeakPolarHBondContact O-CA 3.42Å; W408-G411 PolarHBondContact O-N 3.3Å; G411-L414 PolarHBondContact O-N 3.08Å; G411-W415 PolarHBondContact O-N 2.99Å; G411-W461 VanDerWaalsContact C-CZ2 3.48Å; G411-W461 WeakPolarHBondContact O-CZ2 3.42Å
412	I	98.8	Very high	97.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-42.1	174.7	-54.2	-66.7	0	0	0	110.8	W390 W408 S409 V410 L414 W415 E416 P424 Y425 L443 W461	W390-I412 VanDerWaalsContact CD1-CG2 3.43Å; W390-I412 HydrophobicContact CD2-CG2 4.32Å; W390-I412 HydrophobicContact CG-CB 4.42Å; W390-I412 HydrophobicContact CG-CG2 3.93Å; W408-I412 PolarHBondContact O-N 2.94Å; W408-I412 VanDerWaalsContact O-N 3.12Å; S409-I412 PolarHBondContact O-N 3.25Å; V410-I412 VanDerWaalsContact C-N 3.28Å; V410-I412 PolarHBondContact O-N 3.47Å; I412-L414 PolarHBondContact O-N 3.42Å; I412-W415 CarbonylContact O-C 3.55Å; I412-W415 WeakPolarHBondContact O-CA 3.41Å; I412-W415 WeakPolarHBondContact O-CB 3.31Å; I412-W415 PolarHBondContact O-N 2.97Å; I412-W415 VanDerWaalsContact O-N 3.13Å; I412-E416 WeakPolarHBondContact O-CG 3.47Å; I412-E416 PolarHBondContact O-N 3.15Å; I412-P424 HydrophobicContact CG2-CB 3.78Å; I412-P424 HydrophobicContact CG2-CG 3.88Å; I412-Y425 HydrophobicContact CD1-CE2 3.86Å; I412-L443 HydrophobicContact CD1-CD1 3.61Å; I412-W461 HydrophobicContact CD1-CZ2 3.7Å; I412-W461 HydrophobicContact CG1-CZ2 4.44Å
413	T	98.7	Very high	97.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-62.1	-39.6	177.2	-55.7	0	0	0	0	112.5	I331 I348 A349 T350 S409 V410 W415 E416 L417	I331-T413 HydrophobicContact CD1-CG2 4.07Å; I331-T413 HydrophobicContact CG2-CG2 4.49Å; I348-T413 PolarHBondContact O-OG1 2.83Å; I348-T413 VanDerWaalsContact O-OG1 3.1Å; A349-T413 VanDerWaalsContact CA-OG1 3.32Å; A349-T413 WeakPolarHBondContact CA-OG1 3.29Å; T350-T413 HydrophobicContact CG2-CG2 3.96Å; S409-T413 PolarHBondContact O-N 3.37Å; S409-T413 PolarHBondContact O-OG1 3.39Å; V410-T413 CarbonylContact O-C 3.48Å; V410-T413 WeakPolarHBondContact O-CA 3.44Å; V410-T413 WeakPolarHBondContact O-CB 3.24Å; V410-T413 PolarHBondContact O-N 3Å; T413-W415 VanDerWaalsContact C-N 3.34Å; T413-E416 WeakPolarHBondContact O-CB 3.22Å; T413-E416 PolarHBondContact O-N 3.05Å; T413-L417 WeakPolarHBondContact O-CG 3.44Å; T413-L417 PolarHBondContact O-N 3.35Å
414	L	98.4	Very high	97.2	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-66.3	-39	174.4	-64.8	-177.9	0	0	0	111	A328 V410 G411 I412 L417 V418 I457	A328-L414 HydrophobicContact CB-CD2 3.36Å; V410-L414 HydrophobicContact CG1-CD1 4.29Å; V410-L414 HydrophobicContact CG1-CG 4.3Å; V410-L414 WeakPolarHBondContact O-CG 3.47Å; V410-L414 PolarHBondContact O-N 2.89Å; G411-L414 PolarHBondContact O-N 3.08Å; I412-L414 PolarHBondContact O-N 3.42Å; L414-L417 HydrophobicContact CD2-CD1 4.25Å; L414-L417 WeakPolarHBondContact O-CB 3.15Å; L414-L417 PolarHBondContact O-N 2.88Å; L414-V418 WeakPolarHBondContact O-CG2 3.37Å; L414-V418 PolarHBondContact O-N 2.65Å; L414-I457 HydrophobicContact CB-CD1 3.95Å; L414-I457 HydrophobicContact CB-CG1 3.8Å; L414-I457 HydrophobicContact CD1-CG1 4.09Å
415	W	98.1	Very high	97.1	Very high	21 Å²	21	15.1 Å²	15.1	8%	0.08	7%	0.071	C	C	.	.	H	α-helix	trans	-62.7	-42.4	172.5	-174.6	99.1	0	0	0	111.6	G411 I412 T413 L417 V418 T419 Q422 P424 L443 K444 W454 I457 W461	G411-W415 PolarHBondContact O-N 2.99Å; I412-W415 CarbonylContact O-C 3.55Å; I412-W415 WeakPolarHBondContact O-CA 3.41Å; I412-W415 WeakPolarHBondContact O-CB 3.31Å; I412-W415 PolarHBondContact O-N 2.97Å; I412-W415 VanDerWaalsContact O-N 3.13Å; T413-W415 VanDerWaalsContact C-N 3.34Å; W415-L417 VanDerWaalsContact C-N 3.31Å; W415-L417 PolarHBondContact O-N 3.44Å; W415-V418 PolarHBondContact O-N 3.4Å; W415-T419 HydrophobicContact CD2-CG2 3.79Å; W415-T419 HydrophobicContact CE3-CG2 3.99Å; W415-T419 HydrophobicContact CG-CG2 4.5Å; W415-T419 HydrophobicContact CH2-CG2 3.8Å; W415-T419 HydrophobicContact CZ2-CG2 3.61Å; W415-T419 HydrophobicContact CZ3-CG2 3.98Å; W415-T419 WeakPolarHBondContact CZ3-OG1 3.03Å; W415-T419 WeakPolarHBondContact O-CB 3.27Å; W415-T419 WeakPolarHBondContact O-CG2 3.22Å; W415-T419 PolarHBondContact O-N 2.76Å; W415-T419 PolarHBondContact O-OG1 2.85Å; W415-Q422 HydrophobicContact CH2-CB 3.94Å; W415-Q422 HydrophobicContact CZ3-CB 3.96Å; W415-P424 HydrophobicContact CE3-CB 4.4Å; W415-P424 HydrophobicContact CZ3-CB 4.28Å; W415-L443 HydrophobicContact CB-CD1 4.2Å; W415-L443 HydrophobicContact CD2-CD1 3.7Å; W415-L443 HydrophobicContact CE3-CD1 4.15Å; W415-L443 HydrophobicContact CG-CD1 3.7Å; W415-L443 HydrophobicContact CZ2-CD2 4.25Å; W415-K444 PolarHBondContact NE1-O 3.28Å; W415-K444 VanDerWaalsContact NE1-O 3.17Å; W415-W454 AromaticContact CD1-CZ3 3.95Å; W415-I457 HydrophobicContact CB-CG2 4.49Å; W415-W461 HydrophobicContact CB-CH2 4.29Å; W415-W461 HydrophobicContact CB-CZ2 4.37Å; W415-W461 HydrophobicContact CG-CH2 4.5Å
416	E	97.6	Very high	97	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-41.7	173.3	-70.4	-179.5	94.9	0	0	111.3	T350 W390 I412 T413 T419 R420 G421	T350-E416 HydrophobicContact CG2-CB 3.58Å; T350-E416 HydrophobicContact CG2-CG 4.39Å; T350-E416 PolarHBondContact N-OE2 3.03Å; T350-E416 PolarHBondContact OG1-OE1 2.92Å; W390-E416 PolarHBondContact NE1-OE2 3.36Å; I412-E416 WeakPolarHBondContact O-CG 3.47Å; I412-E416 PolarHBondContact O-N 3.15Å; T413-E416 WeakPolarHBondContact O-CB 3.22Å; T413-E416 PolarHBondContact O-N 3.05Å; E416-T419 WeakPolarHBondContact CA-OG1 3.5Å; E416-T419 PolarHBondContact O-OG1 2.95Å; E416-R420 PolarHBondContact O-N 2.84Å; E416-G421 PolarHBondContact O-N 3.47Å
417	L	95.7	Very high	96.9	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-47.7	176.4	-73.6	172.3	0	0	0	112.1	L297 L301 L324 M327 A328 I331 T350 T413 L414 W415 T419 R420	L297-L417 HydrophobicContact CD2-CD2 4.26Å; L301-L417 HydrophobicContact CD1-CD2 3.95Å; L301-L417 HydrophobicContact CD2-CD2 4.38Å; L324-L417 HydrophobicContact CD2-CD2 4.4Å; M327-L417 HydrophobicContact CB-CD2 4.36Å; M327-L417 HydrophobicContact SD-CD2 4.45Å; A328-L417 HydrophobicContact CB-CD1 3.75Å; I331-L417 HydrophobicContact CD1-CD1 4.22Å; T350-L417 HydrophobicContact CG2-CD2 4.45Å; T350-L417 HydrophobicContact CG2-CG 4.43Å; T413-L417 WeakPolarHBondContact O-CG 3.44Å; T413-L417 PolarHBondContact O-N 3.35Å; L414-L417 HydrophobicContact CD2-CD1 4.25Å; L414-L417 WeakPolarHBondContact O-CB 3.15Å; L414-L417 PolarHBondContact O-N 2.88Å; W415-L417 VanDerWaalsContact C-N 3.31Å; W415-L417 PolarHBondContact O-N 3.44Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 3.42Å; L417-R420 PolarHBondContact O-N 3.21Å
418	V	94.3	Very high	96.8	Very high	25 Å²	25	24.7 Å²	24.7	15%	0.152	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-38	-178.6	173.7	0	0	0	0	111.6	L414 W415 R420 P446 C449 L453 I457	L414-V418 WeakPolarHBondContact O-CG2 3.37Å; L414-V418 PolarHBondContact O-N 2.65Å; W415-V418 PolarHBondContact O-N 3.4Å; V418-R420 VanDerWaalsContact C-N 3.29Å; V418-P446 HydrophobicContact CG1-CB 3.92Å; V418-P446 HydrophobicContact CG1-CG 3.85Å; V418-C449 HydrophobicContact CG1-CB 3.8Å; V418-L453 HydrophobicContact CG2-CD2 3.84Å; V418-I457 HydrophobicContact CG2-CD1 4Å
419	T	93.5	Very high	96.7	Very high	12 Å²	12	28.6 Å²	28.6	7%	0.074	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.2	177.9	58.7	0	0	0	0	113.8	W415 E416 L417 Q422 P446	W415-T419 HydrophobicContact CD2-CG2 3.79Å; W415-T419 HydrophobicContact CE3-CG2 3.99Å; W415-T419 HydrophobicContact CG-CG2 4.5Å; W415-T419 HydrophobicContact CH2-CG2 3.8Å; W415-T419 HydrophobicContact CZ2-CG2 3.61Å; W415-T419 HydrophobicContact CZ3-CG2 3.98Å; W415-T419 WeakPolarHBondContact CZ3-OG1 3.03Å; W415-T419 WeakPolarHBondContact O-CB 3.27Å; W415-T419 WeakPolarHBondContact O-CG2 3.22Å; W415-T419 PolarHBondContact O-N 2.76Å; W415-T419 PolarHBondContact O-OG1 2.85Å; E416-T419 WeakPolarHBondContact CA-OG1 3.5Å; E416-T419 PolarHBondContact O-OG1 2.95Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 3.42Å; T419-Q422 WeakPolarHBondContact O-CG 3.49Å; T419-P446 HydrophobicContact CG2-CB 3.92Å; T419-P446 HydrophobicContact CG2-CG 3.58Å
420	R	92.4	Very high	96.6	Very high	65 Å²	65	28.6 Å²	28.6	25%	0.245	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	43.2	-178.5	-56.2	-176.2	165.4	85.5	1.1	113.6	L301 L319 E416 L417 V418	L301-R420 CarbonylContact C-O 3.57Å; L319-R420 PolarHBondContact O-NH2 3.16Å; E416-R420 PolarHBondContact O-N 2.84Å; L417-R420 PolarHBondContact O-N 3.21Å; V418-R420 VanDerWaalsContact C-N 3.29Å
421	G	93.4	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	19%	0.189	C	C	.	.	S	Bend	trans	85.6	25.7	171.5	0	0	0	0	0	114.1	Q302 E416	Q302-G421 WeakPolarHBondContact CG-O 3.4Å; Q302-G421 PolarHBondContact NE2-O 2.92Å; E416-G421 PolarHBondContact O-N 3.47Å
422	Q	94.7	Very high	96.4	Very high	111 Å²	111	40 Å²	40	52%	0.519	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-63.8	154.7	169.1	-72.1	-179.5	3	0	0	111	W415 T419	W415-Q422 HydrophobicContact CH2-CB 3.94Å; W415-Q422 HydrophobicContact CZ3-CB 3.96Å; T419-Q422 WeakPolarHBondContact O-CG 3.49Å
423	Q	96.4	Very high	96.4	Very high	51 Å²	51	40.1 Å²	40.1	24%	0.238	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.5	122.7	175.1	-166.5	66	5.2	0	0	109.9	D376 A426	D376-Q423 PolarHBondContact OD1-NE2 3.25Å; D376-Q423 PolarHBondContact OD1-OE1 3.23Å; D376-Q423 VanDerWaalsContact OD1-OE1 3.05Å; Q423-A426 HydrophobicContact CB-CB 4.27Å
424	P	98.3	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	143.1	173.9	27.9	-33.9	0	0	0	109.6	K389 W390 I412 W415 A426 L443	K389-P424 HydrophobicContact CB-CG 4.17Å; K389-P424 VanDerWaalsContact CD-O 3.23Å; K389-P424 WeakPolarHBondContact CD-O 3.4Å; W390-P424 HydrophobicContact CD2-CG 4.2Å; W390-P424 HydrophobicContact CE3-CG 4.33Å; W390-P424 HydrophobicContact CH2-CG 3.57Å; W390-P424 HydrophobicContact CZ2-CG 3.43Å; W390-P424 VanDerWaalsContact CZ2-CG 3.43Å; W390-P424 HydrophobicContact CZ3-CG 4.05Å; I412-P424 HydrophobicContact CG2-CB 3.78Å; I412-P424 HydrophobicContact CG2-CG 3.88Å; W415-P424 HydrophobicContact CE3-CB 4.4Å; W415-P424 HydrophobicContact CZ3-CB 4.28Å; P424-A426 PolarHBondContact O-N 3.1Å; P424-L443 HydrophobicContact CB-CD1 4.11Å; P424-L443 HydrophobicContact CB-CD2 4.4Å
425	Y	98.1	Very high	96.3	Very high	7 Å²	7	44 Å²	44	3%	0.027	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	43	178.4	-54.6	-80.6	0	0	0	112.5	K389 I412 S427 I428 M433 Y441 L443	K389-Y425 HydrophobicContact CB-CD2 4.26Å; K389-Y425 PolarHBondContact NZ-O 3.09Å; I412-Y425 HydrophobicContact CD1-CE2 3.86Å; Y425-S427 PolarHBondContact O-N 3.03Å; Y425-S427 VanDerWaalsContact O-N 3.17Å; Y425-I428 PolarHBondContact O-N 2.91Å; Y425-I428 VanDerWaalsContact O-N 3.07Å; Y425-M433 HydrophobicContact CD1-CE 4.02Å; Y425-M433 HydrophobicContact CD1-SD 4.36Å; Y425-M433 HydrophobicContact CD2-CE 3.53Å; Y425-M433 HydrophobicContact CD2-SD 4.22Å; Y425-M433 HydrophobicContact CE1-CE 4.21Å; Y425-M433 HydrophobicContact CE2-CE 3.73Å; Y425-M433 HydrophobicContact CG-CE 3.69Å; Y425-M433 HydrophobicContact CG-SD 3.91Å; Y425-Y441 HydrophobicContact CD1-CE1 4.02Å; Y425-Y441 HydrophobicContact CE1-CD1 4.18Å; Y425-Y441 AromaticContact CE1-CE1 3.97Å; Y425-Y441 HydrophobicContact CE1-CE1 3.97Å; Y425-L443 HydrophobicContact CD1-CD2 3.63Å; Y425-L443 HydrophobicContact CD1-CG 4.19Å; Y425-L443 HydrophobicContact CD2-CD2 3.86Å; Y425-L443 HydrophobicContact CD2-CG 4.19Å; Y425-L443 HydrophobicContact CE1-CD2 3.72Å; Y425-L443 HydrophobicContact CE1-CG 3.74Å; Y425-L443 HydrophobicContact CE2-CD1 4.08Å; Y425-L443 HydrophobicContact CE2-CD2 3.96Å; Y425-L443 HydrophobicContact CE2-CG 3.76Å; Y425-L443 HydrophobicContact CG-CD2 3.7Å; Y425-L443 HydrophobicContact CG-CG 4.39Å; Y425-L443 VanDerWaalsContact N-CD2 3.35Å; Y425-L443 PolarHBondContact OH-N 3.47Å
426	A	96.3	Very high	96.3	Very high	76 Å²	76	44.3 Å²	44.3	63%	0.628	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.1	-174.4	0	0	0	0	0	113.5	Q423 P424	Q423-A426 HydrophobicContact CB-CB 4.27Å; P424-A426 PolarHBondContact O-N 3.1Å
427	S	95.6	Very high	96.3	Very high	104 Å²	104	44.4 Å²	44.4	73%	0.727	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.3	-179.2	66.6	0	0	0	0	114.7	Y425	Y425-S427 PolarHBondContact O-N 3.03Å; Y425-S427 VanDerWaalsContact O-N 3.17Å
428	I	97.6	Very high	96.4	Very high	28 Å²	28	51.7 Å²	51.7	14%	0.144	28%	0.275	C	S	.	.	S	Bend	trans	-115.5	131.4	-178.6	-53.5	-62.8	0	0	0	108.1	K389 Y425 E432 M433 V436	K389-I428 VanDerWaalsContact CE-O 3.32Å; K389-I428 WeakPolarHBondContact CE-O 3.48Å; K389-I428 PolarHBondContact NZ-O 3.15Å; Y425-I428 PolarHBondContact O-N 2.91Å; Y425-I428 VanDerWaalsContact O-N 3.07Å; I428-E432 HydrophobicContact CG2-CB 4.06Å; I428-M433 HydrophobicContact CB-SD 4.09Å; I428-M433 HydrophobicContact CG2-CG 4.46Å; I428-M433 HydrophobicContact CG2-SD 3.66Å; I428-V436 HydrophobicContact CD1-CG2 4.48Å; I428-V436 HydrophobicContact CG2-CB 4.45Å; I428-V436 HydrophobicContact CG2-CG2 3.93Å
429	D	96.8	Very high	96.5	Very high	84 Å²	84	56 Å²	56	45%	0.449	30%	0.302	S	S	.	.			trans	-69.8	146.6	175.2	-172.1	-79.2	0	0	0	110.7	F431 E432 M433	D429-F431 PolarHBondContact O-N 3.03Å; D429-F431 WeakPolarHBondContact OD1-CB 3.45Å; D429-F431 VanDerWaalsContact OD1-CD2 3.22Å; D429-F431 WeakPolarHBondContact OD1-CD2 3.34Å; D429-F431 PolarHBondContact OD1-N 3.07Å; D429-E432 HydrophobicContact CB-CG 4.17Å; D429-E432 PolarHBondContact N-OE2 3.08Å; D429-E432 PolarHBondContact O-N 3.48Å; D429-E432 VanDerWaalsContact O-N 3.08Å; D429-M433 PolarHBondContact O-N 3.2Å
430	A	96.7	Very high	96.7	Very high	2 Å²	2	57.5 Å²	57.5	2%	0.017	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.8	-34.9	-180	0	0	0	0	0	113	H378 L380 V388 E432 M433	H378-A430 HydrophobicContact CB-CB 3.61Å; H378-A430 WeakPolarHBondContact CD2-CB 3.41Å; L380-A430 HydrophobicContact CD2-CB 4.48Å; V388-A430 HydrophobicContact CB-CB 4.33Å; V388-A430 HydrophobicContact CG1-CB 4.25Å; V388-A430 WeakPolarHBondContact CG1-O 3.29Å; A430-E432 VanDerWaalsContact C-N 3.25Å; A430-E432 PolarHBondContact O-N 2.98Å; A430-M433 WeakPolarHBondContact O-CB 3.24Å; A430-M433 PolarHBondContact O-N 3.12Å
431	F	96.2	Very high	96.9	Very high	138 Å²	138	58.3 Å²	58.3	61%	0.605	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-67.1	-26.1	177.6	-70.4	-84	0	0	0	112.7	C379 L380 D429	C379-F431 WeakPolarHBondContact O-CE1 3.33Å; C379-F431 WeakPolarHBondContact O-CZ 3.35Å; L380-F431 HydrophobicContact CD2-CD1 3.91Å; L380-F431 HydrophobicContact CD2-CE1 4.18Å; L380-F431 HydrophobicContact CD2-CG 4.24Å; D429-F431 PolarHBondContact O-N 3.03Å; D429-F431 WeakPolarHBondContact OD1-CB 3.45Å; D429-F431 VanDerWaalsContact OD1-CD2 3.22Å; D429-F431 WeakPolarHBondContact OD1-CD2 3.34Å; D429-F431 PolarHBondContact OD1-N 3.07Å
432	E	97.4	Very high	97.2	Very high	104 Å²	104	59.1 Å²	59.1	49%	0.486	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-86.4	-14.9	-179.9	-61.9	-179.4	140.2	0	0	113.1	I428 D429 A430 T434 A435 V436	I428-E432 HydrophobicContact CG2-CB 4.06Å; D429-E432 HydrophobicContact CB-CG 4.17Å; D429-E432 PolarHBondContact N-OE2 3.08Å; D429-E432 PolarHBondContact O-N 3.48Å; D429-E432 VanDerWaalsContact O-N 3.08Å; A430-E432 VanDerWaalsContact C-N 3.25Å; A430-E432 PolarHBondContact O-N 2.98Å; E432-T434 VanDerWaalsContact C-N 3.31Å; E432-T434 PolarHBondContact O-N 2.92Å; E432-A435 PolarHBondContact O-N 3.25Å; E432-V436 HydrophobicContact CB-CG2 4.33Å; E432-V436 WeakPolarHBondContact O-CG2 3.47Å; E432-V436 PolarHBondContact O-N 3.35Å
433	M	97.9	Very high	97.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-54	-43.3	-171	-76	-60.5	-50.7	0	0	113.4	V388 K389 Y425 I428 D429 A430 A435 V436 L437	V388-M433 HydrophobicContact CG1-CB 3.81Å; V388-M433 HydrophobicContact CG1-CG 3.88Å; K389-M433 HydrophobicContact CG-CG 4.29Å; K389-M433 HydrophobicContact CG-SD 4.26Å; Y425-M433 HydrophobicContact CD1-CE 4.02Å; Y425-M433 HydrophobicContact CD1-SD 4.36Å; Y425-M433 HydrophobicContact CD2-CE 3.53Å; Y425-M433 HydrophobicContact CD2-SD 4.22Å; Y425-M433 HydrophobicContact CE1-CE 4.21Å; Y425-M433 HydrophobicContact CE2-CE 3.73Å; Y425-M433 HydrophobicContact CG-CE 3.69Å; Y425-M433 HydrophobicContact CG-SD 3.91Å; I428-M433 HydrophobicContact CB-SD 4.09Å; I428-M433 HydrophobicContact CG2-CG 4.46Å; I428-M433 HydrophobicContact CG2-SD 3.66Å; D429-M433 PolarHBondContact O-N 3.2Å; A430-M433 WeakPolarHBondContact O-CB 3.24Å; A430-M433 PolarHBondContact O-N 3.12Å; M433-A435 PolarHBondContact O-N 3.34Å; M433-V436 PolarHBondContact O-N 3.38Å; M433-L437 HydrophobicContact CE-CD1 4.12Å; M433-L437 HydrophobicContact CE-CD2 4.43Å; M433-L437 HydrophobicContact CE-CG 4.15Å; M433-L437 WeakPolarHBondContact O-CB 3.49Å; M433-L437 VanDerWaalsContact O-CG 3.23Å; M433-L437 WeakPolarHBondContact O-CG 3.19Å; M433-L437 PolarHBondContact O-N 3.43Å
434	T	97.2	Very high	97.3	Very high	28 Å²	28	59.3 Å²	59.3	17%	0.172	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-43.2	178.9	-57.8	0	0	0	0	111.7	L393 I397 E432 R438	L393-T434 HydrophobicContact CD1-CG2 4.25Å; I397-T434 HydrophobicContact CD1-CG2 4.39Å; I397-T434 HydrophobicContact CG1-CG2 3.78Å; E432-T434 VanDerWaalsContact C-N 3.31Å; E432-T434 PolarHBondContact O-N 2.92Å; T434-R438 WeakPolarHBondContact O-CG 3.5Å; T434-R438 PolarHBondContact O-N 2.96Å; T434-R438 VanDerWaalsContact O-N 3.17Å
435	A	97.8	Very high	97.3	Very high	62 Å²	62	63.1 Å²	63.1	51%	0.512	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-47.7	179.1	0	0	0	0	0	110.8	E432 M433 L437 R438 T439	E432-A435 PolarHBondContact O-N 3.25Å; M433-A435 PolarHBondContact O-N 3.34Å; A435-L437 PolarHBondContact O-N 2.98Å; A435-R438 WeakPolarHBondContact O-CB 3.29Å; A435-R438 PolarHBondContact O-N 3.48Å; A435-T439 PolarHBondContact O-N 3.04Å
436	V	97.9	Very high	97.1	Very high	29 Å²	29	63.7 Å²	63.7	18%	0.176	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-43.5	178.5	169.8	0	0	0	0	111.7	I428 E432 M433 R438 T439 Y441	I428-V436 HydrophobicContact CD1-CG2 4.48Å; I428-V436 HydrophobicContact CG2-CB 4.45Å; I428-V436 HydrophobicContact CG2-CG2 3.93Å; E432-V436 HydrophobicContact CB-CG2 4.33Å; E432-V436 WeakPolarHBondContact O-CG2 3.47Å; E432-V436 PolarHBondContact O-N 3.35Å; M433-V436 PolarHBondContact O-N 3.38Å; V436-R438 VanDerWaalsContact C-N 3.33Å; V436-R438 PolarHBondContact O-N 2.95Å; V436-T439 PolarHBondContact O-N 3.03Å; V436-T439 PolarHBondContact O-OG1 3.47Å; V436-Y441 HydrophobicContact CG1-CD1 3.34Å; V436-Y441 HydrophobicContact CG1-CE1 4.21Å; V436-Y441 HydrophobicContact CG1-CG 3.82Å; V436-Y441 WeakPolarHBondContact O-CB 3.27Å
437	L	98.1	Very high	96.7	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-69.5	-30.1	179.3	-70.3	177.6	0	0	0	112.9	L393 L396 W408 M433 A435 T439 G440 Y441 R442	L393-L437 HydrophobicContact CD1-CB 3.92Å; L396-L437 HydrophobicContact CD1-CD1 3.8Å; W408-L437 HydrophobicContact CH2-CD1 4.27Å; W408-L437 HydrophobicContact CH2-CD2 4.09Å; W408-L437 HydrophobicContact CZ2-CD1 3.76Å; W408-L437 HydrophobicContact CZ2-CD2 3.8Å; W408-L437 HydrophobicContact CZ2-CG 4.38Å; M433-L437 HydrophobicContact CE-CD1 4.12Å; M433-L437 HydrophobicContact CE-CD2 4.43Å; M433-L437 HydrophobicContact CE-CG 4.15Å; M433-L437 WeakPolarHBondContact O-CB 3.49Å; M433-L437 VanDerWaalsContact O-CG 3.23Å; M433-L437 WeakPolarHBondContact O-CG 3.19Å; M433-L437 PolarHBondContact O-N 3.43Å; A435-L437 PolarHBondContact O-N 2.98Å; L437-T439 VanDerWaalsContact C-N 3.33Å; L437-G440 PolarHBondContact O-N 3.22Å; L437-Y441 WeakPolarHBondContact CD2-O 2.89Å; L437-R442 PolarHBondContact O-NH1 3.32Å
438	R	97.2	Very high	96.1	Very high	156 Å²	156	69.7 Å²	69.7	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-66.3	-31.3	175.9	-80.7	177.8	173.9	166.4	-2.2	113	L393 I397 T434 A435 V436 G440	L393-R438 HydrophobicContact CD1-CG 4.08Å; L393-R438 HydrophobicContact CD2-CG 4.13Å; I397-R438 VanDerWaalsContact CD1-NH2 3.35Å; T434-R438 WeakPolarHBondContact O-CG 3.5Å; T434-R438 PolarHBondContact O-N 2.96Å; T434-R438 VanDerWaalsContact O-N 3.17Å; A435-R438 WeakPolarHBondContact O-CB 3.29Å; A435-R438 PolarHBondContact O-N 3.48Å; V436-R438 VanDerWaalsContact C-N 3.33Å; V436-R438 PolarHBondContact O-N 2.95Å; R438-G440 PolarHBondContact O-N 3.45Å
439	T	97.2	Very high	95.8	Very high	115 Å²	115	68.7 Å²	68.7	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.7	175.6	71	0	0	0	0	113.1	A435 V436 L437 Y441	A435-T439 PolarHBondContact O-N 3.04Å; V436-T439 PolarHBondContact O-N 3.03Å; V436-T439 PolarHBondContact O-OG1 3.47Å; L437-T439 VanDerWaalsContact C-N 3.33Å; T439-Y441 PolarHBondContact OG1-N 2.93Å
440	G	97.1	Very high	95.6	Very high	45 Å²	45	67.8 Å²	67.8	46%	0.464	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-1.7	-174.5	0	0	0	0	0	113.7	L437 R438	L437-G440 PolarHBondContact O-N 3.22Å; R438-G440 PolarHBondContact O-N 3.45Å
441	Y	98	Very high	95.5	Very high	82 Å²	82	72.1 Å²	72.1	32%	0.322	37%	0.37	S	S	.	.			trans	-60.4	139.7	174.3	-177.1	-94.5	0	0	0	111.3	Y425 V436 L437 T439	Y425-Y441 HydrophobicContact CD1-CE1 4.02Å; Y425-Y441 HydrophobicContact CE1-CD1 4.18Å; Y425-Y441 AromaticContact CE1-CE1 3.97Å; Y425-Y441 HydrophobicContact CE1-CE1 3.97Å; V436-Y441 HydrophobicContact CG1-CD1 3.34Å; V436-Y441 HydrophobicContact CG1-CE1 4.21Å; V436-Y441 HydrophobicContact CG1-CG 3.82Å; V436-Y441 WeakPolarHBondContact O-CB 3.27Å; L437-Y441 WeakPolarHBondContact CD2-O 2.89Å; T439-Y441 PolarHBondContact OG1-N 2.93Å
442	R	98.2	Very high	95.5	Very high	18 Å²	18	69.5 Å²	69.5	7%	0.068	36%	0.363	C	S	.	.			trans	-139.8	168.2	176.4	-61.5	-61.9	-178.9	-92.2	0.3	109.2	L437 F458 W461 T463	L437-R442 PolarHBondContact O-NH1 3.32Å; R442-F458 HydrophobicContact CB-CE2 3.81Å; R442-F458 HydrophobicContact CB-CZ 4.46Å; R442-F458 HydrophobicContact CG-CE2 4.15Å; R442-F458 HydrophobicContact CG-CZ 4.37Å; R442-W461 HydrophobicContact CB-CE3 4.09Å; R442-W461 HydrophobicContact CG-CB 4.26Å; R442-W461 HydrophobicContact CG-CE3 4.5Å; R442-W461 PolarHBondContact NE-O 3.27Å; R442-W461 PolarHBondContact NH2-O 3.18Å; R442-T463 PolarHBondContact NH2-OG1 2.64Å
443	L	98.1	Very high	95.4	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.047	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-52.5	143.4	171.6	-68.6	170.8	0	0	0	111.1	I412 W415 P424 Y425 W454 W461	I412-L443 HydrophobicContact CD1-CD1 3.61Å; W415-L443 HydrophobicContact CB-CD1 4.2Å; W415-L443 HydrophobicContact CD2-CD1 3.7Å; W415-L443 HydrophobicContact CE3-CD1 4.15Å; W415-L443 HydrophobicContact CG-CD1 3.7Å; W415-L443 HydrophobicContact CZ2-CD2 4.25Å; P424-L443 HydrophobicContact CB-CD1 4.11Å; P424-L443 HydrophobicContact CB-CD2 4.4Å; Y425-L443 HydrophobicContact CD1-CD2 3.63Å; Y425-L443 HydrophobicContact CD1-CG 4.19Å; Y425-L443 HydrophobicContact CD2-CD2 3.86Å; Y425-L443 HydrophobicContact CD2-CG 4.19Å; Y425-L443 HydrophobicContact CE1-CD2 3.72Å; Y425-L443 HydrophobicContact CE1-CG 3.74Å; Y425-L443 HydrophobicContact CE2-CD1 4.08Å; Y425-L443 HydrophobicContact CE2-CD2 3.96Å; Y425-L443 HydrophobicContact CE2-CG 3.76Å; Y425-L443 HydrophobicContact CG-CD2 3.7Å; Y425-L443 HydrophobicContact CG-CG 4.39Å; Y425-L443 VanDerWaalsContact N-CD2 3.35Å; Y425-L443 PolarHBondContact OH-N 3.47Å; L443-W454 VanDerWaalsContact O-CH2 3.22Å; L443-W454 WeakPolarHBondContact O-CH2 3.48Å; L443-W454 WeakPolarHBondContact O-CZ2 3.34Å; L443-W461 HydrophobicContact CB-CH2 3.85Å; L443-W461 HydrophobicContact CB-CZ3 4Å; L443-W461 HydrophobicContact CD1-CH2 3.95Å; L443-W461 HydrophobicContact CD1-CZ2 4.06Å; L443-W461 HydrophobicContact CG-CH2 4.38Å
444	K	96.4	Very high	95.4	Very high	157 Å²	157	66.9 Å²	66.9	68%	0.683	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-77.7	151.5	175.1	-63.3	-178.7	-178.4	178.9	0	110.6	W415 P446 W454	W415-K444 PolarHBondContact NE1-O 3.28Å; W415-K444 VanDerWaalsContact NE1-O 3.17Å; K444-P446 WeakPolarHBondContact O-CD 3.34Å; K444-W454 VanDerWaalsContact C-CH2 3.5Å
445	K	97.3	Very high	95.4	Very high	79 Å²	79	71.8 Å²	71.8	34%	0.343	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-58	123.3	171.1	-177.1	-177	171.7	-164.4	0	109.3	C449 D451 W454	K445-C449 WeakPolarHBondContact CE-O 3.34Å; K445-C449 HydrophobicContact CG-CB 4.19Å; K445-C449 PolarHBondContact NZ-O 3.15Å; K445-D451 WeakPolarHBondContact CE-OD1 3.4Å; K445-D451 IonicContact NZ-OD1 2.64Å; K445-D451 PolarHBondContact NZ-OD1 3.44Å; K445-D451 IonicContact NZ-OD2 3.13Å; K445-D451 PolarHBondContact NZ-OD2 3.24Å; K445-D451 VanDerWaalsContact NZ-OD2 3.13Å; K445-W454 HydrophobicContact CB-CD2 3.7Å; K445-W454 HydrophobicContact CB-CE3 4.25Å; K445-W454 HydrophobicContact CB-CG 3.95Å; K445-W454 HydrophobicContact CB-CH2 4.5Å; K445-W454 HydrophobicContact CB-CZ2 4Å; K445-W454 HydrophobicContact CD-CB 4.11Å; K445-W454 HydrophobicContact CD-CG 3.9Å; K445-W454 HydrophobicContact CG-CB 4.03Å; K445-W454 HydrophobicContact CG-CD2 3.78Å; K445-W454 HydrophobicContact CG-CE3 4.28Å; K445-W454 HydrophobicContact CG-CG 3.64Å; K445-W454 VanDerWaalsContact N-CZ2 3.33Å
446	P	94.2	Very high	95.4	Very high	20 Å²	20	69.5 Å²	69.5	13%	0.13	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.7	173.5	-22.7	34.3	0	0	0	111.7	V418 T419 K444 N448 C449	V418-P446 HydrophobicContact CG1-CB 3.92Å; V418-P446 HydrophobicContact CG1-CG 3.85Å; T419-P446 HydrophobicContact CG2-CB 3.92Å; T419-P446 HydrophobicContact CG2-CG 3.58Å; K444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-N448 VanDerWaalsContact C-N 3.28Å; P446-N448 PolarHBondContact O-N 3.46Å; P446-C449 HydrophobicContact CB-CB 4.13Å; P446-C449 HydrophobicContact CG-CB 4.35Å; P446-C449 WeakPolarHBondContact O-CB 3.47Å; P446-C449 PolarHBondContact O-N 3.46Å
447	H	88.4	Confident	95.5	Very high	182 Å²	182	68.2 Å²	68.2	84%	0.843	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-42.8	-176.8	-179.8	-85.5	0	0	0	113.5	C449	H447-C449 VanDerWaalsContact C-N 3.33Å; H447-C449 PolarHBondContact O-N 3.08Å
448	N	82.5	Confident	95.5	Very high	124 Å²	124	72 Å²	72	66%	0.663	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	20.7	-177	-61.9	-29.8	0	0	0	113.5	P446	P446-N448 VanDerWaalsContact C-N 3.28Å; P446-N448 PolarHBondContact O-N 3.46Å
449	C	91.8	Very high	95.5	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.041	34%	0.337	C	S	.	.			trans	-97.3	122.7	-179.8	-168.3	0	0	0	0	110.7	V418 K445 P446 H447	V418-C449 HydrophobicContact CG1-CB 3.8Å; K445-C449 WeakPolarHBondContact CE-O 3.34Å; K445-C449 HydrophobicContact CG-CB 4.19Å; K445-C449 PolarHBondContact NZ-O 3.15Å; P446-C449 HydrophobicContact CB-CB 4.13Å; P446-C449 HydrophobicContact CG-CB 4.35Å; P446-C449 WeakPolarHBondContact O-CB 3.47Å; P446-C449 PolarHBondContact O-N 3.46Å; H447-C449 VanDerWaalsContact C-N 3.33Å; H447-C449 PolarHBondContact O-N 3.08Å
450	P	92.5	Very high	95.6	Very high	66 Å²	66	60.1 Å²	60.1	43%	0.429	30%	0.303	S	S	.	.			trans	-62.3	146.8	172	-26.6	38.4	0	0	0	112.3	D452 L453 W454 F481	P450-D452 VanDerWaalsContact C-N 3.31Å; P450-D452 PolarHBondContact O-N 3.07Å; P450-L453 PolarHBondContact O-N 2.93Å; P450-W454 PolarHBondContact O-N 3.06Å; P450-F481 HydrophobicContact CB-CE2 4.06Å; P450-F481 HydrophobicContact CB-CZ 3.85Å; P450-F481 HydrophobicContact CG-CZ 3.95Å
451	D	95.2	Very high	95.7	Very high	92 Å²	92	58.3 Å²	58.3	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-39.7	-177.5	-79.7	-57.7	0	0	0	113.5	K445 L453 W454 K455	K445-D451 WeakPolarHBondContact CE-OD1 3.4Å; K445-D451 IonicContact NZ-OD1 2.64Å; K445-D451 PolarHBondContact NZ-OD1 3.44Å; K445-D451 IonicContact NZ-OD2 3.13Å; K445-D451 PolarHBondContact NZ-OD2 3.24Å; K445-D451 VanDerWaalsContact NZ-OD2 3.13Å; D451-L453 PolarHBondContact O-N 2.99Å; D451-W454 WeakPolarHBondContact O-CB 3.02Å; D451-W454 PolarHBondContact O-N 3.44Å; D451-W454 VanDerWaalsContact O-N 3.17Å; D451-K455 WeakPolarHBondContact O-CG 3.39Å; D451-K455 PolarHBondContact O-N 3.02Å
452	D	94.4	Very high	95.7	Very high	84 Å²	84	59.2 Å²	59.2	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-34.9	-179.3	-64.6	-33.5	0	0	0	112.5	P450 K455 I456 F481	P450-D452 VanDerWaalsContact C-N 3.31Å; P450-D452 PolarHBondContact O-N 3.07Å; D452-K455 IonicContact OD1-NZ 2.81Å; D452-K455 PolarHBondContact OD1-NZ 3.5Å; D452-I456 WeakPolarHBondContact O-CG1 3.49Å; D452-I456 PolarHBondContact O-N 3.4Å; D452-F481 HydrophobicContact CB-CD2 3.85Å; D452-F481 HydrophobicContact CB-CE2 4.02Å
453	L	95.6	Very high	95.6	Very high	17 Å²	17	62.4 Å²	62.4	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-41.9	170	-178.5	57.1	0	0	0	110.9	V418 P450 D451 K455 I456 I457 L478 F481	V418-L453 HydrophobicContact CG2-CD2 3.84Å; P450-L453 PolarHBondContact O-N 2.93Å; D451-L453 PolarHBondContact O-N 2.99Å; L453-K455 PolarHBondContact O-N 3.43Å; L453-I456 WeakPolarHBondContact O-CB 3.43Å; L453-I456 PolarHBondContact O-N 3.07Å; L453-I456 VanDerWaalsContact O-N 3.15Å; L453-I457 HydrophobicContact CD1-CD1 4.32Å; L453-I457 HydrophobicContact CD1-CG1 4.44Å; L453-I457 HydrophobicContact CG-CD1 4.05Å; L453-I457 WeakPolarHBondContact O-CG1 3.44Å; L453-I457 PolarHBondContact O-N 2.92Å; L453-L478 HydrophobicContact CD1-CD1 3.64Å; L453-F481 HydrophobicContact CB-CD1 4.25Å; L453-F481 HydrophobicContact CB-CE1 3.7Å; L453-F481 HydrophobicContact CB-CE2 4.15Å; L453-F481 HydrophobicContact CB-CZ 3.66Å; L453-F481 HydrophobicContact CD1-CD1 4.21Å; L453-F481 HydrophobicContact CD1-CE1 4.17Å; L453-F481 HydrophobicContact CD2-CE1 4.08Å; L453-F481 HydrophobicContact CG-CE1 4.2Å
454	W	97.7	Very high	95.6	Very high	32 Å²	32	66.2 Å²	66.2	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-42.2	178.2	-178.1	-118.9	0	0	0	112.4	W415 L443 K444 K445 P450 D451 I456 I457 F458 W461	W415-W454 AromaticContact CD1-CZ3 3.95Å; L443-W454 VanDerWaalsContact O-CH2 3.22Å; L443-W454 WeakPolarHBondContact O-CH2 3.48Å; L443-W454 WeakPolarHBondContact O-CZ2 3.34Å; K444-W454 VanDerWaalsContact C-CH2 3.5Å; K445-W454 HydrophobicContact CB-CD2 3.7Å; K445-W454 HydrophobicContact CB-CE3 4.25Å; K445-W454 HydrophobicContact CB-CG 3.95Å; K445-W454 HydrophobicContact CB-CH2 4.5Å; K445-W454 HydrophobicContact CB-CZ2 4Å; K445-W454 HydrophobicContact CD-CB 4.11Å; K445-W454 HydrophobicContact CD-CG 3.9Å; K445-W454 HydrophobicContact CG-CB 4.03Å; K445-W454 HydrophobicContact CG-CD2 3.78Å; K445-W454 HydrophobicContact CG-CE3 4.28Å; K445-W454 HydrophobicContact CG-CG 3.64Å; K445-W454 VanDerWaalsContact N-CZ2 3.33Å; P450-W454 PolarHBondContact O-N 3.06Å; D451-W454 WeakPolarHBondContact O-CB 3.02Å; D451-W454 PolarHBondContact O-N 3.44Å; D451-W454 VanDerWaalsContact O-N 3.17Å; W454-I456 PolarHBondContact O-N 3.11Å; W454-I457 HydrophobicContact CE3-CB 4.2Å; W454-I457 HydrophobicContact CE3-CG2 4.26Å; W454-I457 HydrophobicContact CZ3-CB 4.41Å; W454-I457 HydrophobicContact CZ3-CG2 3.96Å; W454-I457 PolarHBondContact O-N 3.38Å; W454-F458 HydrophobicContact CD2-CB 4.44Å; W454-F458 AromaticContact CE2-CD2 3.9Å; W454-F458 HydrophobicContact CH2-CD2 4.2Å; W454-F458 HydrophobicContact CZ2-CB 4.36Å; W454-F458 AromaticContact CZ2-CD2 3.49Å; W454-F458 HydrophobicContact CZ2-CD2 3.49Å; W454-F458 VanDerWaalsContact CZ2-CD2 3.49Å; W454-F458 HydrophobicContact CZ2-CE2 4.19Å; W454-F458 HydrophobicContact CZ2-CG 4.32Å; W454-F458 VanDerWaalsContact O-CB 3.26Å; W454-F458 WeakPolarHBondContact O-CB 3.47Å; W454-F458 PolarHBondContact O-N 3.18Å; W454-W461 AromaticContact CH2-CH2 3.98Å; W454-W461 HydrophobicContact CH2-CH2 3.98Å; W454-W461 AromaticContact CH2-CZ3 3.55Å; W454-W461 HydrophobicContact CH2-CZ3 3.55Å; W454-W461 HydrophobicContact CZ2-CZ3 4.3Å; W454-W461 HydrophobicContact CZ3-CH2 4.09Å; W454-W461 HydrophobicContact CZ3-CZ3 4.04Å
455	K	97.9	Very high	95.7	Very high	132 Å²	132	60.7 Å²	60.7	57%	0.574	31%	0.31	S	S	*	.	H	α-helix	trans	-56.4	-38.9	174.4	-70.8	169.4	-164.9	160.5	0	111.8	D451 D452 L453 A459	D451-K455 WeakPolarHBondContact O-CG 3.39Å; D451-K455 PolarHBondContact O-N 3.02Å; D452-K455 IonicContact OD1-NZ 2.81Å; D452-K455 PolarHBondContact OD1-NZ 3.5Å; L453-K455 PolarHBondContact O-N 3.43Å; K455-A459 WeakPolarHBondContact O-CB 3.23Å; K455-A459 PolarHBondContact O-N 3.05Å
456	I	98.4	Very high	95.7	Very high	14 Å²	14	61.8 Å²	61.8	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-48.7	176.8	-62.9	167.6	0	0	0	110.7	D452 L453 W454 L474 K477 F481	D452-I456 WeakPolarHBondContact O-CG1 3.49Å; D452-I456 PolarHBondContact O-N 3.4Å; L453-I456 WeakPolarHBondContact O-CB 3.43Å; L453-I456 PolarHBondContact O-N 3.07Å; L453-I456 VanDerWaalsContact O-N 3.15Å; W454-I456 PolarHBondContact O-N 3.11Å; I456-L474 HydrophobicContact CG2-CD2 3.76Å; I456-K477 HydrophobicContact CD1-CB 3.9Å; I456-K477 HydrophobicContact CG1-CB 3.96Å; I456-F481 HydrophobicContact CD1-CB 4.04Å
457	I	98.5	Very high	95.9	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-50.8	-179.4	-65.1	174.5	0	0	0	110.6	L414 W415 V418 L453 W454 A459 C460 W461	L414-I457 HydrophobicContact CB-CD1 3.95Å; L414-I457 HydrophobicContact CB-CG1 3.8Å; L414-I457 HydrophobicContact CD1-CG1 4.09Å; W415-I457 HydrophobicContact CB-CG2 4.49Å; V418-I457 HydrophobicContact CG2-CD1 4Å; L453-I457 HydrophobicContact CD1-CD1 4.32Å; L453-I457 HydrophobicContact CD1-CG1 4.44Å; L453-I457 HydrophobicContact CG-CD1 4.05Å; L453-I457 WeakPolarHBondContact O-CG1 3.44Å; L453-I457 PolarHBondContact O-N 2.92Å; W454-I457 HydrophobicContact CE3-CB 4.2Å; W454-I457 HydrophobicContact CE3-CG2 4.26Å; W454-I457 HydrophobicContact CZ3-CB 4.41Å; W454-I457 HydrophobicContact CZ3-CG2 3.96Å; W454-I457 PolarHBondContact O-N 3.38Å; I457-A459 VanDerWaalsContact C-N 3.25Å; I457-A459 PolarHBondContact O-N 3.33Å; I457-C460 WeakPolarHBondContact O-CB 3.46Å; I457-C460 PolarHBondContact O-N 3.48Å; I457-C460 PolarHBondContact O-SG 3.23Å; I457-C460 VanDerWaalsContact O-SG 3.35Å; I457-W461 HydrophobicContact CG2-CH2 3.54Å; I457-W461 HydrophobicContact CG2-CZ2 3.79Å; I457-W461 HydrophobicContact CG2-CZ3 4.18Å
458	F	98.5	Very high	96.4	Very high	82 Å²	82	55.6 Å²	55.6	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-28.9	-175.5	-165.4	-99.1	0	0	0	113	R442 W454 C460 W461	R442-F458 HydrophobicContact CB-CE2 3.81Å; R442-F458 HydrophobicContact CB-CZ 4.46Å; R442-F458 HydrophobicContact CG-CE2 4.15Å; R442-F458 HydrophobicContact CG-CZ 4.37Å; W454-F458 HydrophobicContact CD2-CB 4.44Å; W454-F458 AromaticContact CE2-CD2 3.9Å; W454-F458 HydrophobicContact CH2-CD2 4.2Å; W454-F458 HydrophobicContact CZ2-CB 4.36Å; W454-F458 AromaticContact CZ2-CD2 3.49Å; W454-F458 HydrophobicContact CZ2-CD2 3.49Å; W454-F458 VanDerWaalsContact CZ2-CD2 3.49Å; W454-F458 HydrophobicContact CZ2-CE2 4.19Å; W454-F458 HydrophobicContact CZ2-CG 4.32Å; W454-F458 VanDerWaalsContact O-CB 3.26Å; W454-F458 WeakPolarHBondContact O-CB 3.47Å; W454-F458 PolarHBondContact O-N 3.18Å; F458-C460 PolarHBondContact O-N 2.85Å; F458-W461 AromaticContact CD2-CE3 3.9Å; F458-W461 HydrophobicContact CD2-CE3 3.9Å; F458-W461 HydrophobicContact CD2-CZ3 4.05Å; F458-W461 HydrophobicContact CE2-CE3 4.47Å; F458-W461 PolarHBondContact O-N 3.19Å
459	A	98.5	Very high	97.2	Very high	21 Å²	21	50.2 Å²	50.2	17%	0.174	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-61.6	-20.6	174.1	0	0	0	0	0	113.5	K455 I457 W461 P469	K455-A459 WeakPolarHBondContact O-CB 3.23Å; K455-A459 PolarHBondContact O-N 3.05Å; I457-A459 VanDerWaalsContact C-N 3.25Å; I457-A459 PolarHBondContact O-N 3.33Å; A459-W461 PolarHBondContact O-N 3.15Å; A459-P469 HydrophobicContact CB-CG 4.3Å; A459-P469 VanDerWaalsContact O-CD 3.23Å; A459-P469 WeakPolarHBondContact O-CD 3.4Å
460	C	98.8	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-70.8	-17.8	177.7	-58.1	0	0	0	0	113.3	V407 I457 F458 R468	V407-C460 HydrophobicContact CG1-CB 4.1Å; V407-C460 WeakPolarHBondContact O-CB 3.33Å; I457-C460 WeakPolarHBondContact O-CB 3.46Å; I457-C460 PolarHBondContact O-N 3.48Å; I457-C460 PolarHBondContact O-SG 3.23Å; I457-C460 VanDerWaalsContact O-SG 3.35Å; F458-C460 PolarHBondContact O-N 2.85Å; C460-R468 VanDerWaalsContact O-CD 3.29Å; C460-R468 WeakPolarHBondContact O-CD 3.41Å
461	W	98.6	Very high	97.8	Very high	6 Å²	6	50.5 Å²	50.5	2%	0.023	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-110.4	27.5	-170.8	-49.8	-44.3	0	0	0	114.4	W408 G411 I412 W415 R442 L443 W454 I457 F458 A459	W408-W461 HydrophobicContact CD2-CB 4.45Å; W408-W461 AromaticContact CD2-CD1 3.61Å; W408-W461 HydrophobicContact CD2-CG 4.38Å; W408-W461 AromaticContact CE2-CD1 3.79Å; W408-W461 HydrophobicContact CE3-CB 4.09Å; W408-W461 HydrophobicContact CE3-CG 4.48Å; W408-W461 AromaticContact CG-CD1 3.83Å; W408-W461 HydrophobicContact CH2-CB 4.16Å; W408-W461 HydrophobicContact CZ2-CB 4.49Å; W408-W461 HydrophobicContact CZ3-CB 3.94Å; W408-W461 PolarHBondContact O-NE1 3.42Å; G411-W461 VanDerWaalsContact C-CZ2 3.48Å; G411-W461 WeakPolarHBondContact O-CZ2 3.42Å; I412-W461 HydrophobicContact CD1-CZ2 3.7Å; I412-W461 HydrophobicContact CG1-CZ2 4.44Å; W415-W461 HydrophobicContact CB-CH2 4.29Å; W415-W461 HydrophobicContact CB-CZ2 4.37Å; W415-W461 HydrophobicContact CG-CH2 4.5Å; R442-W461 HydrophobicContact CB-CE3 4.09Å; R442-W461 HydrophobicContact CG-CB 4.26Å; R442-W461 HydrophobicContact CG-CE3 4.5Å; R442-W461 PolarHBondContact NE-O 3.27Å; R442-W461 PolarHBondContact NH2-O 3.18Å; L443-W461 HydrophobicContact CB-CH2 3.85Å; L443-W461 HydrophobicContact CB-CZ3 4Å; L443-W461 HydrophobicContact CD1-CH2 3.95Å; L443-W461 HydrophobicContact CD1-CZ2 4.06Å; L443-W461 HydrophobicContact CG-CH2 4.38Å; W454-W461 AromaticContact CH2-CH2 3.98Å; W454-W461 HydrophobicContact CH2-CH2 3.98Å; W454-W461 AromaticContact CH2-CZ3 3.55Å; W454-W461 HydrophobicContact CH2-CZ3 3.55Å; W454-W461 HydrophobicContact CZ2-CZ3 4.3Å; W454-W461 HydrophobicContact CZ3-CH2 4.09Å; W454-W461 HydrophobicContact CZ3-CZ3 4.04Å; I457-W461 HydrophobicContact CG2-CH2 3.54Å; I457-W461 HydrophobicContact CG2-CZ2 3.79Å; I457-W461 HydrophobicContact CG2-CZ3 4.18Å; F458-W461 AromaticContact CD2-CE3 3.9Å; F458-W461 HydrophobicContact CD2-CE3 3.9Å; F458-W461 HydrophobicContact CD2-CZ3 4.05Å; F458-W461 HydrophobicContact CE2-CE3 4.47Å; F458-W461 PolarHBondContact O-N 3.19Å; A459-W461 PolarHBondContact O-N 3.15Å
462	K	98.3	Very high	98	Very high	101 Å²	101	53.1 Å²	53.1	44%	0.439	28%	0.282	S	S	.	.			trans	-62.3	136.4	169.4	-63.1	-62.6	-175.5	178.3	0	110.1	A467 R468	K462-A467 HydrophobicContact CB-CB 4.1Å; K462-A467 HydrophobicContact CG-CB 4.37Å; K462-R468 HydrophobicContact CB-CG 3.98Å; K462-R468 PolarHBondContact O-NE 3.16Å; K462-R468 PolarHBondContact O-NH2 3.44Å
463	T	97.1	Very high	98.2	Very high	86 Å²	86	53.8 Å²	53.8	53%	0.528	28%	0.282	S	S	.	.	S	Bend	trans	-59.5	-50.7	-179.5	-55.8	0	0	0	0	111	L393 R442 P465 R468	L393-T463 HydrophobicContact CD2-CG2 4.15Å; R442-T463 PolarHBondContact NH2-OG1 2.64Å; T463-P465 WeakPolarHBondContact O-CD 3.5Å; T463-R468 PolarHBondContact O-NH2 3.44Å
464	N	97.6	Very high	98.3	Very high	89 Å²	89	53 Å²	53	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-69.5	119.7	172.9	179.8	4.4	0	0	0	110.4	S466 A467	N464-S466 VanDerWaalsContact C-N 3.28Å; N464-S466 PolarHBondContact ND2-OG 3.33Å; N464-S466 PolarHBondContact O-N 3.44Å; N464-S466 PolarHBondContact OD1-N 3.25Å; N464-S466 VanDerWaalsContact OD1-N 3.11Å; N464-S466 PolarHBondContact OD1-OG 3.49Å; N464-A467 HydrophobicContact CB-CB 4.14Å; N464-A467 WeakPolarHBondContact O-CB 3.3Å; N464-A467 PolarHBondContact O-N 2.79Å; N464-A467 VanDerWaalsContact O-N 3.12Å
465	P	98.3	Very high	98.4	Very high	41 Å²	41	52.5 Å²	52.5	27%	0.266	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.5	-35.3	179.3	-24.6	35.2	0	0	0	113.9	E394 A404 T463 A467 R468	E394-P465 HydrophobicContact CG-CG 4.19Å; A404-P465 HydrophobicContact CB-CB 3.81Å; T463-P465 WeakPolarHBondContact O-CD 3.5Å; P465-A467 PolarHBondContact O-N 2.82Å; P465-R468 WeakPolarHBondContact O-CB 3.32Å; P465-R468 PolarHBondContact O-N 2.98Å
466	S	97.9	Very high	98.4	Very high	102 Å²	102	50.7 Å²	50.7	71%	0.713	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-73.1	-14.5	-180	65.8	0	0	0	0	113.8	N464 R468	N464-S466 VanDerWaalsContact C-N 3.28Å; N464-S466 PolarHBondContact ND2-OG 3.33Å; N464-S466 PolarHBondContact O-N 3.44Å; N464-S466 PolarHBondContact OD1-N 3.25Å; N464-S466 VanDerWaalsContact OD1-N 3.11Å; N464-S466 PolarHBondContact OD1-OG 3.49Å; S466-R468 VanDerWaalsContact C-N 3.35Å
467	A	98.4	Very high	98.4	Very high	57 Å²	57	54.9 Å²	54.9	47%	0.471	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-86.8	-5.6	174.7	0	0	0	0	0	113.1	K462 N464 P465	K462-A467 HydrophobicContact CB-CB 4.1Å; K462-A467 HydrophobicContact CG-CB 4.37Å; N464-A467 HydrophobicContact CB-CB 4.14Å; N464-A467 WeakPolarHBondContact O-CB 3.3Å; N464-A467 PolarHBondContact O-N 2.79Å; N464-A467 VanDerWaalsContact O-N 3.12Å; P465-A467 PolarHBondContact O-N 2.82Å
468	R	98.7	Very high	98.3	Very high	15 Å²	15	54.9 Å²	54.9	6%	0.057	30%	0.295	C	S	.	.	S	Bend	trans	-80.1	146.7	175.9	-60.1	176.3	-165.8	154.2	12.9	109.7	E394 A404 V407 C460 K462 T463 P465 S466	E394-R468 IonicContact OE1-CZ 3.41Å; E394-R468 IonicContact OE1-NH1 2.66Å; E394-R468 PolarHBondContact OE1-NH1 3.08Å; E394-R468 IonicContact OE1-NH2 2.61Å; E394-R468 PolarHBondContact OE1-NH2 3.49Å; E394-R468 IonicContact OE2-CZ 3.86Å; E394-R468 IonicContact OE2-NH1 3.55Å; E394-R468 IonicContact OE2-NH2 3.69Å; E394-R468 PolarHBondContact OE2-NH2 3.18Å; A404-R468 PolarHBondContact O-NH1 3.27Å; V407-R468 HydrophobicContact CG1-CB 4.06Å; C460-R468 VanDerWaalsContact O-CD 3.29Å; C460-R468 WeakPolarHBondContact O-CD 3.41Å; K462-R468 HydrophobicContact CB-CG 3.98Å; K462-R468 PolarHBondContact O-NE 3.16Å; K462-R468 PolarHBondContact O-NH2 3.44Å; T463-R468 PolarHBondContact O-NH2 3.44Å; P465-R468 WeakPolarHBondContact O-CB 3.32Å; P465-R468 PolarHBondContact O-N 2.98Å; S466-R468 VanDerWaalsContact C-N 3.35Å
469	P	98.6	Very high	98.2	Very high	10 Å²	10	56.6 Å²	56.6	7%	0.065	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.6	151.4	174.2	29.7	-34.9	0	0	0	111	V407 A459 Q473 L474	V407-P469 HydrophobicContact CG1-CG 4.46Å; V407-P469 WeakPolarHBondContact CG1-O 3.41Å; V407-P469 VanDerWaalsContact CG2-O 3.32Å; V407-P469 WeakPolarHBondContact CG2-O 3.49Å; A459-P469 HydrophobicContact CB-CG 4.3Å; A459-P469 VanDerWaalsContact O-CD 3.23Å; A459-P469 WeakPolarHBondContact O-CD 3.4Å; P469-Q473 VanDerWaalsContact CA-OE1 3.23Å; P469-Q473 HydrophobicContact CB-CB 4.08Å; P469-L474 HydrophobicContact CB-CD2 4.14Å; P469-L474 HydrophobicContact CB-CG 4.2Å; P469-L474 HydrophobicContact CG-CD1 4.44Å; P469-L474 HydrophobicContact CG-CD2 3.5Å; P469-L474 HydrophobicContact CG-CG 3.85Å
470	T	98.6	Very high	98.1	Very high	76 Å²	76	58.4 Å²	58.4	47%	0.466	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-70.9	159.6	167.1	67.2	0	0	0	0	110.7	R472 Q473 L474	T470-R472 PolarHBondContact O-N 3.15Å; T470-Q473 WeakPolarHBondContact O-CB 3.47Å; T470-Q473 PolarHBondContact O-N 3.22Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.44Å; T470-Q473 PolarHBondContact OG1-N 3.35Å; T470-L474 PolarHBondContact O-N 3.03Å
471	I	98.7	Very high	97.8	Very high	2 Å²	2	59 Å²	59	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-41.5	175	-60.5	-63.6	0	0	0	110.8	L332 A335 D336 H339 V407 V410 Q473 L474 I475	L332-I471 HydrophobicContact CB-CG2 4.25Å; L332-I471 HydrophobicContact CD2-CD1 4.29Å; L332-I471 HydrophobicContact CD2-CG2 4.03Å; L332-I471 WeakPolarHBondContact O-CG2 3.46Å; A335-I471 HydrophobicContact CB-CD1 4.3Å; A335-I471 HydrophobicContact CB-CG1 4.31Å; A335-I471 HydrophobicContact CB-CG2 4.15Å; D336-I471 HydrophobicContact CB-CB 4.42Å; D336-I471 HydrophobicContact CB-CG2 3.79Å; H339-I471 WeakPolarHBondContact ND1-CG1 3.48Å; V407-I471 HydrophobicContact CG2-CD1 3.73Å; V407-I471 HydrophobicContact CG2-CG1 4.08Å; V410-I471 HydrophobicContact CB-CD1 4.34Å; V410-I471 HydrophobicContact CG1-CD1 4.37Å; V410-I471 HydrophobicContact CG2-CD1 3.91Å; I471-Q473 VanDerWaalsContact C-N 3.34Å; I471-Q473 PolarHBondContact O-N 3.16Å; I471-L474 HydrophobicContact CD1-CD1 4.3Å; I471-L474 WeakPolarHBondContact O-CB 3.42Å; I471-L474 PolarHBondContact O-N 3.3Å; I471-L474 VanDerWaalsContact O-N 3.11Å; I471-I475 HydrophobicContact CG2-CD1 4.23Å; I471-I475 WeakPolarHBondContact O-CG1 3.48Å; I471-I475 PolarHBondContact O-N 3.47Å
472	R	98.3	Very high	97.5	Very high	147 Å²	147	61.4 Å²	61.4	56%	0.555	33%	0.331	S	S	*	.	H	α-helix	trans	-56.1	-44.2	173.9	-169	160.4	-64.8	-178.5	0.2	113.3	D336 T470 L474 I475 T476	D336-R472 WeakPolarHBondContact OD1-CB 3.44Å; D336-R472 PolarHBondContact OD1-N 3.22Å; D336-R472 IonicContact OD1-NE 3.21Å; D336-R472 IonicContact OD1-NH2 3.6Å; D336-R472 IonicContact OD2-CZ 3.62Å; D336-R472 IonicContact OD2-NE 3.33Å; D336-R472 PolarHBondContact OD2-NE 3.37Å; D336-R472 IonicContact OD2-NH2 2.74Å; D336-R472 PolarHBondContact OD2-NH2 3.28Å; T470-R472 PolarHBondContact O-N 3.15Å; R472-L474 VanDerWaalsContact C-N 3.35Å; R472-I475 PolarHBondContact O-N 3.17Å; R472-T476 PolarHBondContact O-N 2.9Å; R472-T476 VanDerWaalsContact O-N 3.09Å; R472-T476 PolarHBondContact O-OG1 3.47Å
473	Q	98.6	Very high	97.1	Very high	98 Å²	98	60.5 Å²	60.5	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-38.2	175.9	-72.5	170.2	-22.2	0	0	111.9	P469 T470 I471 T476 K477	P469-Q473 VanDerWaalsContact CA-OE1 3.23Å; P469-Q473 HydrophobicContact CB-CB 4.08Å; T470-Q473 WeakPolarHBondContact O-CB 3.47Å; T470-Q473 PolarHBondContact O-N 3.22Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.44Å; T470-Q473 PolarHBondContact OG1-N 3.35Å; I471-Q473 VanDerWaalsContact C-N 3.34Å; I471-Q473 PolarHBondContact O-N 3.16Å; Q473-T476 PolarHBondContact O-N 2.86Å; Q473-K477 WeakPolarHBondContact O-CG 3.35Å; Q473-K477 PolarHBondContact O-N 3.01Å
474	L	98.7	Very high	96.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-42.4	173.5	-69.5	177	0	0	0	111.8	L332 V407 V410 I456 P469 T470 I471 R472 T476 K477 L478	L332-L474 HydrophobicContact CD1-CB 4.26Å; L332-L474 HydrophobicContact CD2-CB 3.99Å; L332-L474 HydrophobicContact CD2-CD1 4.03Å; V407-L474 HydrophobicContact CG1-CD1 4.22Å; V410-L474 HydrophobicContact CG1-CD1 4.01Å; I456-L474 HydrophobicContact CG2-CD2 3.76Å; P469-L474 HydrophobicContact CB-CD2 4.14Å; P469-L474 HydrophobicContact CB-CG 4.2Å; P469-L474 HydrophobicContact CG-CD1 4.44Å; P469-L474 HydrophobicContact CG-CD2 3.5Å; P469-L474 HydrophobicContact CG-CG 3.85Å; T470-L474 PolarHBondContact O-N 3.03Å; I471-L474 HydrophobicContact CD1-CD1 4.3Å; I471-L474 WeakPolarHBondContact O-CB 3.42Å; I471-L474 PolarHBondContact O-N 3.3Å; I471-L474 VanDerWaalsContact O-N 3.11Å; R472-L474 VanDerWaalsContact C-N 3.35Å; L474-T476 PolarHBondContact O-N 3.06Å; L474-K477 PolarHBondContact O-N 3.35Å; L474-L478 VanDerWaalsContact O-CB 3.23Å; L474-L478 WeakPolarHBondContact O-CB 3.2Å; L474-L478 PolarHBondContact O-N 3.04Å
475	I	98.6	Very high	95.8	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-49.7	175.1	-67.7	168.5	0	0	0	110.4	L329 L332 D336 I471 R472 K477 L478 K479	L329-I475 HydrophobicContact CD2-CG2 4.32Å; L332-I475 HydrophobicContact CB-CD1 4.16Å; L332-I475 HydrophobicContact CB-CG1 3.58Å; L332-I475 HydrophobicContact CD1-CG1 4.27Å; L332-I475 HydrophobicContact CG-CG1 4.48Å; D336-I475 HydrophobicContact CB-CD1 3.86Å; I471-I475 HydrophobicContact CG2-CD1 4.23Å; I471-I475 WeakPolarHBondContact O-CG1 3.48Å; I471-I475 PolarHBondContact O-N 3.47Å; R472-I475 PolarHBondContact O-N 3.17Å; I475-K477 PolarHBondContact O-N 3.21Å; I475-L478 PolarHBondContact O-N 3.36Å; I475-K479 HydrophobicContact CG2-CD 4.05Å; I475-K479 HydrophobicContact CG2-CG 4.39Å; I475-K479 WeakPolarHBondContact O-CB 3.24Å; I475-K479 WeakPolarHBondContact O-CG 3.11Å; I475-K479 PolarHBondContact O-N 3.37Å
476	T	98.3	Very high	94.8	Very high	93 Å²	93	58.1 Å²	58.1	57%	0.571	32%	0.322	S	S	*	.	H	α-helix	trans	-59.2	-48.7	179.7	-59.5	0	0	0	0	111.6	R472 Q473 L474 L478 K479 A480	R472-T476 PolarHBondContact O-N 2.9Å; R472-T476 VanDerWaalsContact O-N 3.09Å; R472-T476 PolarHBondContact O-OG1 3.47Å; Q473-T476 PolarHBondContact O-N 2.86Å; L474-T476 PolarHBondContact O-N 3.06Å; T476-L478 PolarHBondContact O-N 3.31Å; T476-K479 PolarHBondContact O-N 3.23Å; T476-A480 PolarHBondContact O-N 3.34Å; T476-A480 VanDerWaalsContact O-N 3.08Å
477	K	98.1	Very high	93.7	Very high	103 Å²	103	59.4 Å²	59.4	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-42.6	179.1	-70.8	179.5	177.5	-176.1	0	112.1	I456 Q473 L474 I475 A480 F481	I456-K477 HydrophobicContact CD1-CB 3.9Å; I456-K477 HydrophobicContact CG1-CB 3.96Å; Q473-K477 WeakPolarHBondContact O-CG 3.35Å; Q473-K477 PolarHBondContact O-N 3.01Å; L474-K477 PolarHBondContact O-N 3.35Å; I475-K477 PolarHBondContact O-N 3.21Å; K477-A480 PolarHBondContact O-N 2.98Å; K477-F481 PolarHBondContact O-N 3.21Å
478	L	97.1	Very high	91.8	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-71	-33.7	-178.8	-170.4	63	0	0	0	112.3	I325 A328 L329 L332 L453 L474 I475 T476 F481 Q482	I325-L478 HydrophobicContact CG2-CD1 4.17Å; I325-L478 HydrophobicContact CG2-CG 4.12Å; A328-L478 HydrophobicContact CB-CD2 3.63Å; L329-L478 HydrophobicContact CD2-CB 3.98Å; L329-L478 HydrophobicContact CD2-CD2 3.89Å; L329-L478 HydrophobicContact CD2-CG 4.02Å; L329-L478 HydrophobicContact CG-CD2 3.85Å; L329-L478 HydrophobicContact CG-CG 4.16Å; L332-L478 HydrophobicContact CD1-CD2 3.68Å; L453-L478 HydrophobicContact CD1-CD1 3.64Å; L474-L478 VanDerWaalsContact O-CB 3.23Å; L474-L478 WeakPolarHBondContact O-CB 3.2Å; L474-L478 PolarHBondContact O-N 3.04Å; I475-L478 PolarHBondContact O-N 3.36Å; T476-L478 PolarHBondContact O-N 3.31Å; L478-F481 HydrophobicContact CD1-CD1 4.18Å; L478-F481 PolarHBondContact O-N 3.49Å; L478-Q482 WeakPolarHBondContact O-CB 3.23Å; L478-Q482 PolarHBondContact O-N 3.39Å
479	K	96.7	Very high	89.4	Confident	117 Å²	117	74.4 Å²	74.4	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-44.2	171.1	-76.8	-179	176.5	-179.3	0	112	L329 I475 T476 F481 Q482 V483	L329-K479 HydrophobicContact CD1-CG 4.18Å; L329-K479 HydrophobicContact CD2-CG 3.77Å; I475-K479 HydrophobicContact CG2-CD 4.05Å; I475-K479 HydrophobicContact CG2-CG 4.39Å; I475-K479 WeakPolarHBondContact O-CB 3.24Å; I475-K479 WeakPolarHBondContact O-CG 3.11Å; I475-K479 PolarHBondContact O-N 3.37Å; T476-K479 PolarHBondContact O-N 3.23Å; K479-F481 VanDerWaalsContact C-N 3.31Å; K479-F481 PolarHBondContact O-N 3.35Å; K479-Q482 WeakPolarHBondContact O-CB 3.18Å; K479-Q482 PolarHBondContact O-N 3.18Å; K479-Q482 VanDerWaalsContact O-N 3.15Å; K479-V483 WeakPolarHBondContact O-CG2 3.48Å; K479-V483 PolarHBondContact O-N 3.17Å
480	A	95.5	Very high	89	Confident	59 Å²	59	77.6 Å²	77.6	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-42.2	175.3	0	0	0	0	0	111.6	T476 K477 V483 T484	T476-A480 PolarHBondContact O-N 3.34Å; T476-A480 VanDerWaalsContact O-N 3.08Å; K477-A480 PolarHBondContact O-N 2.98Å; A480-V483 PolarHBondContact O-N 3.39Å; A480-T484 PolarHBondContact O-N 3.3Å; A480-T484 PolarHBondContact O-OG1 3.02Å
481	F	93.9	Very high	88.5	Confident	14 Å²	14	77.7 Å²	77.7	6%	0.061	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-41.3	172.9	178.8	-106.2	0	0	0	112.4	I325 P450 D452 L453 I456 K477 L478 K479 V483 T484 V485	I325-F481 HydrophobicContact CD1-CD1 3.94Å; I325-F481 HydrophobicContact CD1-CE1 3.58Å; I325-F481 HydrophobicContact CG1-CD1 4.48Å; I325-F481 HydrophobicContact CG1-CE1 4.27Å; P450-F481 HydrophobicContact CB-CE2 4.06Å; P450-F481 HydrophobicContact CB-CZ 3.85Å; P450-F481 HydrophobicContact CG-CZ 3.95Å; D452-F481 HydrophobicContact CB-CD2 3.85Å; D452-F481 HydrophobicContact CB-CE2 4.02Å; L453-F481 HydrophobicContact CB-CD1 4.25Å; L453-F481 HydrophobicContact CB-CE1 3.7Å; L453-F481 HydrophobicContact CB-CE2 4.15Å; L453-F481 HydrophobicContact CB-CZ 3.66Å; L453-F481 HydrophobicContact CD1-CD1 4.21Å; L453-F481 HydrophobicContact CD1-CE1 4.17Å; L453-F481 HydrophobicContact CD2-CE1 4.08Å; L453-F481 HydrophobicContact CG-CE1 4.2Å; I456-F481 HydrophobicContact CD1-CB 4.04Å; K477-F481 PolarHBondContact O-N 3.21Å; L478-F481 HydrophobicContact CD1-CD1 4.18Å; L478-F481 PolarHBondContact O-N 3.49Å; K479-F481 VanDerWaalsContact C-N 3.31Å; K479-F481 PolarHBondContact O-N 3.35Å; F481-V483 VanDerWaalsContact C-N 3.34Å; F481-V483 PolarHBondContact O-N 3.47Å; F481-T484 WeakPolarHBondContact O-CB 3.48Å; F481-T484 PolarHBondContact O-N 3.1Å; F481-T484 VanDerWaalsContact O-N 3.16Å; F481-V485 HydrophobicContact CD1-CG2 4.16Å; F481-V485 HydrophobicContact CD2-CG2 4.35Å; F481-V485 HydrophobicContact CE1-CG2 3.59Å; F481-V485 HydrophobicContact CE2-CG2 3.79Å; F481-V485 HydrophobicContact CZ-CG2 3.36Å; F481-V485 WeakPolarHBondContact O-CG2 3.27Å; F481-V485 PolarHBondContact O-N 3.17Å
482	Q	92.7	Very high	87.9	Confident	55 Å²	55	81.9 Å²	81.9	26%	0.257	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-43.1	177.1	-170.8	-178.7	26.7	0	0	112.3	I325 L478 K479 T484 V485 T486	I325-Q482 HydrophobicContact CG2-CB 3.82Å; I325-Q482 HydrophobicContact CG2-CG 3.87Å; L478-Q482 WeakPolarHBondContact O-CB 3.23Å; L478-Q482 PolarHBondContact O-N 3.39Å; K479-Q482 WeakPolarHBondContact O-CB 3.18Å; K479-Q482 PolarHBondContact O-N 3.18Å; K479-Q482 VanDerWaalsContact O-N 3.15Å; Q482-T484 VanDerWaalsContact C-N 3.32Å; Q482-V485 PolarHBondContact O-N 2.96Å; Q482-T486 WeakPolarHBondContact O-CB 3.19Å; Q482-T486 PolarHBondContact O-N 3.08Å; Q482-T486 PolarHBondContact O-OG1 3.2Å
483	V	90	Very high	87.3	Confident	83 Å²	83	78.1 Å²	78.1	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-44.6	175.8	172.8	0	0	0	0	110.3	K479 A480 F481 V485 T486 N487	K479-V483 WeakPolarHBondContact O-CG2 3.48Å; K479-V483 PolarHBondContact O-N 3.17Å; A480-V483 PolarHBondContact O-N 3.39Å; F481-V483 VanDerWaalsContact C-N 3.34Å; F481-V483 PolarHBondContact O-N 3.47Å; V483-V485 PolarHBondContact O-N 2.91Å; V483-T486 PolarHBondContact O-N 2.75Å; V483-N487 VanDerWaalsContact O-CG 3.28Å; V483-N487 PolarHBondContact O-N 3.22Å
484	T	85	Confident	86.6	Confident	63 Å²	63	76.8 Å²	76.8	39%	0.387	40%	0.4	S	S	.	.	H	α-helix	trans	-58.3	-51.8	177.6	-51.3	0	0	0	0	110.8	A480 F481 Q482 T486 N487 Y488	A480-T484 PolarHBondContact O-N 3.3Å; A480-T484 PolarHBondContact O-OG1 3.02Å; F481-T484 WeakPolarHBondContact O-CB 3.48Å; F481-T484 PolarHBondContact O-N 3.1Å; F481-T484 VanDerWaalsContact O-N 3.16Å; Q482-T484 VanDerWaalsContact C-N 3.32Å; T484-T486 VanDerWaalsContact C-N 3.29Å; T484-T486 PolarHBondContact O-N 2.89Å; T484-N487 PolarHBondContact O-N 2.86Å; T484-Y488 HydrophobicContact CG2-CD2 4.12Å; T484-Y488 HydrophobicContact CG2-CE2 3.83Å; T484-Y488 WeakPolarHBondContact O-CD2 3.28Å; T484-Y488 PolarHBondContact O-N 3.45Å
485	V	81.1	Confident	85.8	Confident	31 Å²	31	81.9 Å²	81.9	19%	0.188	43%	0.426	C	S	.	.	H	α-helix	trans	-61.7	-36.1	179.2	174.3	0	0	0	0	112.4	I325 F481 Q482 V483 I489	I325-V485 HydrophobicContact CD1-CG1 4.49Å; I325-V485 HydrophobicContact CD1-CG2 4.27Å; F481-V485 HydrophobicContact CD1-CG2 4.16Å; F481-V485 HydrophobicContact CD2-CG2 4.35Å; F481-V485 HydrophobicContact CE1-CG2 3.59Å; F481-V485 HydrophobicContact CE2-CG2 3.79Å; F481-V485 HydrophobicContact CZ-CG2 3.36Å; F481-V485 WeakPolarHBondContact O-CG2 3.27Å; F481-V485 PolarHBondContact O-N 3.17Å; Q482-V485 PolarHBondContact O-N 2.96Å; V483-V485 PolarHBondContact O-N 2.91Å; V485-I489 HydrophobicContact CG1-CD1 4.48Å
486	T	77.9	Confident	84.9	Confident	72 Å²	72	86.1 Å²	86.1	44%	0.442	45%	0.449	S	S	.	.	H	α-helix	trans	-75.9	-28.1	-177.7	-48.1	0	0	0	0	112.2	Q482 V483 T484 Y488	Q482-T486 WeakPolarHBondContact O-CB 3.19Å; Q482-T486 PolarHBondContact O-N 3.08Å; Q482-T486 PolarHBondContact O-OG1 3.2Å; V483-T486 PolarHBondContact O-N 2.75Å; T484-T486 VanDerWaalsContact C-N 3.29Å; T484-T486 PolarHBondContact O-N 2.89Å; T486-Y488 VanDerWaalsContact C-N 3.34Å
487	N	74.6	Confident	83.9	Confident	128 Å²	128	85.6 Å²	85.6	68%	0.684	44%	0.439	S	S	*	.	H	α-helix	trans	-77.5	-16.2	177.1	-70.9	-8.8	0	0	0	113.8	V483 T484	V483-N487 VanDerWaalsContact O-CG 3.28Å; V483-N487 PolarHBondContact O-N 3.22Å; T484-N487 PolarHBondContact O-N 2.86Å
488	Y	59.2	Low	82.7	Confident	205 Å²	205	84.2 Å²	84.2	80%	0.804	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.9	177.4	-81.2	-73.6	0	0	0	113.7	T484 T486	T484-Y488 HydrophobicContact CG2-CD2 4.12Å; T484-Y488 HydrophobicContact CG2-CE2 3.83Å; T484-Y488 WeakPolarHBondContact O-CD2 3.28Å; T484-Y488 PolarHBondContact O-N 3.45Å; T486-Y488 VanDerWaalsContact C-N 3.34Å
489	I	48.5	Very low	81.4	Confident	182 Å²	182	91.7 Å²	91.7	93%	0.933	48%	0.478	S	S	*	.			trans	-99.5	0	173.8	-59.2	170.3	0	0	0	107.8	V485	V485-I489 HydrophobicContact CG1-CD1 4.48Å

Retrieved 489 of 489 residues in 135.8 ms (Link to these results)

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