A0A061AIW1_CAEEL Loading...

Choline/ethanolamine kinase

AlphaFold DB , UniProt , Accession A0A061AIW1, Species CAEEL (Caenorhabditis elegans), Gene cka-1, Length 451 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	32.8	Very low	29.6	Very low	238 Å²	238	144 Å²	144	100%	1.172	82%	0.819	S	S	*	*				0	88	0	-81.2	177	176.5	0	0	107.1
2	V	28.1	Very low	29.6	Very low	128 Å²	128	142.5 Å²	142.5	78%	0.776	82%	0.822	S	S	*	*				95.5	87.2	112.2	-175.4	0	0	0	0	109.4
3	S	23.7	Very low	29.5	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	82%	0.824	S	S	*	*				88.3	106	93.9	-54.8	0	0	0	0	111.6
4	L	27.4	Very low	29.4	Very low	164 Å²	164	141 Å²	141	86%	0.859	81%	0.814	S	S	*	*				71.8	117.6	90.1	-86.1	160.8	0	0	0	114.1
5	E	27.2	Very low	29.7	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	82%	0.822	S	S	*	*				-179.5	137.3	112.8	-97.7	175.3	-169.3	0	0	113.3
6	V	33	Very low	29.6	Very low	126 Å²	126	153.6 Å²	153.6	76%	0.764	83%	0.826	S	S	*	*			trans	-105.1	146	161.5	172.8	0	0	0	0	106.4
7	P	29.9	Very low	29.5	Very low	120 Å²	120	149.7 Å²	149.7	78%	0.779	82%	0.82	S	S	*	*			trans	-126.9	150.9	142.5	10.9	10.3	0	0	0	114.4
8	T	28.5	Very low	29.5	Very low	121 Å²	121	148.7 Å²	148.7	74%	0.742	82%	0.822	S	S	*	*			trans	-90.7	149.3	-173.9	39.5	0	0	0	0	114.7
9	E	29.1	Very low	29.5	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.822	82%	0.816	S	S	*	*			trans	70.5	112.1	145.1	-68.8	-174	173.7	0	0	124.3
10	S	32.5	Very low	29.9	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	82%	0.821	S	S	*	*				52.9	143.9	119.7	-60.2	0	0	0	0	122.1
11	P	33	Very low	29.8	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	82%	0.818	S	S	*	*				-147.6	157.5	53.7	37.3	-15.4	0	0	0	119.5
12	C	29.6	Very low	29.6	Very low	126 Å²	126	144.2 Å²	144.2	85%	0.851	80%	0.804	S	S	*	*			trans	19.2	110.8	145.2	-99.4	0	0	0	0	120.1
13	I	28.8	Very low	29.6	Very low	167 Å²	167	146.7 Å²	146.7	86%	0.856	81%	0.807	S	S	*	*			trans	-142.3	106	138.2	-58.6	-175.5	0	0	0	110.2
14	S	27.8	Very low	30.3	Very low	97 Å²	97	147.7 Å²	147.7	68%	0.678	80%	0.804	S	S	*	*			trans	40.8	113	140	-169.8	0	0	0	0	120.3	R16	S14-R16 PolarHBondContact O-N 3.12Å
15	R	34.4	Very low	30.5	Very low	248 Å²	248	144.6 Å²	144.6	94%	0.936	80%	0.801	S	S	*	*			trans	-53	120.7	156.1	-69.8	175.6	177	179.8	-2.3	110.3
16	R	28.2	Very low	31.3	Very low	236 Å²	236	139.6 Å²	139.6	89%	0.891	78%	0.777	S	S	*	*			trans	-112.1	127.4	149.3	-90.8	-176.4	175.1	-178.5	-1.2	108.3	S14	S14-R16 PolarHBondContact O-N 3.12Å
17	A	27.7	Very low	31.8	Very low	87 Å²	87	135.3 Å²	135.3	72%	0.719	75%	0.753	S	S	*	*			trans	-57.6	145.9	178.9	0	0	0	0	0	111.1	S19	A17-S19 PolarHBondContact O-N 3.27Å
18	P	28.8	Very low	32.8	Very low	132 Å²	132	134.7 Å²	134.7	86%	0.857	74%	0.739	S	S	*	*			trans	-67.1	115.5	158.9	0.7	16.1	0	0	0	106.6
19	S	30.7	Very low	33.8	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	74%	0.735	S	S	*	*			trans	-56.9	139.9	169.3	42	0	0	0	0	110.3	A17 E21	A17-S19 PolarHBondContact O-N 3.27Å; S19-E21 PolarHBondContact O-N 2.75Å
20	E	36.6	Very low	35	Very low	193 Å²	193	129.2 Å²	129.2	90%	0.902	71%	0.711	S	S	*	*	S	Bend	trans	-51	101.4	163.4	-68.6	171.1	140.1	0	0	109.8
21	E	29.1	Very low	35.9	Very low	165 Å²	165	124.7 Å²	124.7	77%	0.771	68%	0.679	S	S	*	*			trans	-153.8	86.5	156.6	-110.4	164.4	-159.6	0	0	106.4	S19 E23	S19-E21 PolarHBondContact O-N 2.75Å; E21-E23 VanDerWaalsContact C-N 3.27Å; E21-E23 PolarHBondContact O-N 3.14Å
22	C	27.6	Very low	36.6	Very low	130 Å²	130	123.1 Å²	123.1	88%	0.878	67%	0.667	S	S	*	*			trans	-72.8	87.6	171.7	-159.7	0	0	0	0	106.6	I24	C22-I24 VanDerWaalsContact C-N 3.28Å; C22-I24 PolarHBondContact O-N 3.12Å
23	E	28.5	Very low	37.5	Very low	180 Å²	180	122.2 Å²	122.2	84%	0.841	65%	0.653	S	S	*	*			trans	-64	92.7	174.7	-85.3	-171.4	153.9	0	0	110	E21 A25	E21-E23 VanDerWaalsContact C-N 3.27Å; E21-E23 PolarHBondContact O-N 3.14Å; E23-A25 PolarHBondContact O-N 3.32Å
24	I	38.3	Very low	38.4	Very low	119 Å²	119	122.4 Å²	122.4	61%	0.61	65%	0.653	S	S	*	*			trans	-33.5	109.4	152.5	-73.6	167	0	0	0	111.3	C22 F26	C22-I24 VanDerWaalsContact C-N 3.28Å; C22-I24 PolarHBondContact O-N 3.12Å; I24-F26 VanDerWaalsContact C-N 3.35Å; I24-F26 HydrophobicContact CB-CD2 4.23Å; I24-F26 HydrophobicContact CB-CE2 4.11Å; I24-F26 HydrophobicContact CD1-CE2 4.06Å; I24-F26 HydrophobicContact CG1-CE2 3.97Å; I24-F26 HydrophobicContact CG1-CZ 4.39Å; I24-F26 HydrophobicContact CG2-CB 3.91Å; I24-F26 HydrophobicContact CG2-CD1 4.13Å; I24-F26 HydrophobicContact CG2-CD2 2.84Å; I24-F26 HydrophobicContact CG2-CE1 4.34Å; I24-F26 HydrophobicContact CG2-CE2 3.07Å; I24-F26 HydrophobicContact CG2-CG 3.37Å; I24-F26 HydrophobicContact CG2-CZ 3.84Å; I24-F26 PolarHBondContact O-N 2.87Å
25	A	31	Very low	39.3	Very low	98 Å²	98	124.1 Å²	124.1	81%	0.81	64%	0.644	S	S	*	*			trans	-93.8	65.2	167	0	0	0	0	0	109.8	E23	E23-A25 PolarHBondContact O-N 3.32Å
26	F	44.7	Very low	39.7	Very low	77 Å²	77	121.6 Å²	121.6	34%	0.338	64%	0.64	S	S	.	*			trans	-86.7	113.4	168	-63.2	-40.9	0	0	0	108.8	I24 H28 F64	I24-F26 VanDerWaalsContact C-N 3.35Å; I24-F26 HydrophobicContact CB-CD2 4.23Å; I24-F26 HydrophobicContact CB-CE2 4.11Å; I24-F26 HydrophobicContact CD1-CE2 4.06Å; I24-F26 HydrophobicContact CG1-CE2 3.97Å; I24-F26 HydrophobicContact CG1-CZ 4.39Å; I24-F26 HydrophobicContact CG2-CB 3.91Å; I24-F26 HydrophobicContact CG2-CD1 4.13Å; I24-F26 HydrophobicContact CG2-CD2 2.84Å; I24-F26 HydrophobicContact CG2-CE1 4.34Å; I24-F26 HydrophobicContact CG2-CE2 3.07Å; I24-F26 HydrophobicContact CG2-CG 3.37Å; I24-F26 HydrophobicContact CG2-CZ 3.84Å; I24-F26 PolarHBondContact O-N 2.87Å; F26-H28 VanDerWaalsContact C-N 3.31Å; F26-H28 PolarHBondContact O-N 3.45Å; F26-F64 HydrophobicContact CB-CE2 4.17Å; F26-F64 HydrophobicContact CD1-CD1 4.18Å; F26-F64 HydrophobicContact CD1-CD2 4.04Å; F26-F64 AromaticContact CD1-CE1 3.88Å; F26-F64 HydrophobicContact CD1-CE1 3.88Å; F26-F64 AromaticContact CD1-CE2 3.73Å; F26-F64 HydrophobicContact CD1-CE2 3.73Å; F26-F64 HydrophobicContact CD1-CG 4.26Å; F26-F64 AromaticContact CD1-CZ 3.65Å; F26-F64 HydrophobicContact CD1-CZ 3.65Å; F26-F64 HydrophobicContact CE1-CD1 4.12Å; F26-F64 HydrophobicContact CE1-CE1 4.11Å; F26-F64 HydrophobicContact CE1-CG 4.35Å; F26-F64 HydrophobicContact CE1-CZ 4.35Å; F26-F64 HydrophobicContact CG-CD2 4.4Å; F26-F64 HydrophobicContact CG-CE2 4.16Å; F26-F64 HydrophobicContact CG-CZ 4.47Å
27	S	43.9	Very low	40.4	Very low	35 Å²	35	116.5 Å²	116.5	25%	0.245	63%	0.631	C	S	.	*			trans	-68.6	97.4	154.6	163.5	0	0	0	0	107.1	D29 D30	S27-D29 PolarHBondContact O-N 3.43Å; S27-D30 WeakPolarHBondContact OG-CA 2.99Å; S27-D30 WeakPolarHBondContact OG-CB 3.49Å; S27-D30 PolarHBondContact OG-N 2.84Å; S27-D30 PolarHBondContact OG-O 3Å
28	H	48.9	Very low	40.6	Very low	108 Å²	108	123.4 Å²	123.4	50%	0.5	64%	0.638	S	S	.	*	S	Bend	trans	-59.2	-29.9	177.6	-97.6	-83.7	0	0	0	111.8	F26	F26-H28 VanDerWaalsContact C-N 3.31Å; F26-H28 PolarHBondContact O-N 3.45Å
29	D	50.8	Low	40.9	Very low	123 Å²	123	120.6 Å²	120.6	66%	0.658	62%	0.618	S	S	*	*	S	Bend	trans	-117.3	-10.3	-166	-68.6	-47.7	0	0	0	115.9	S27	S27-D29 PolarHBondContact O-N 3.43Å
30	D	54.5	Low	41.1	Very low	59 Å²	59	122 Å²	122	32%	0.316	62%	0.623	S	S	.	*			trans	-126.1	101.7	177.6	-171.7	-8.7	0	0	0	111.1	S27 T32 L33	S27-D30 WeakPolarHBondContact OG-CA 2.99Å; S27-D30 WeakPolarHBondContact OG-CB 3.49Å; S27-D30 PolarHBondContact OG-N 2.84Å; S27-D30 PolarHBondContact OG-O 3Å; D30-T32 PolarHBondContact O-N 3.33Å; D30-T32 WeakPolarHBondContact OD1-CA 3.31Å; D30-T32 VanDerWaalsContact OD1-CB 3.29Å; D30-T32 WeakPolarHBondContact OD1-CB 3.37Å; D30-T32 PolarHBondContact OD1-N 3.39Å; D30-T32 PolarHBondContact OD1-OG1 3.48Å; D30-T32 PolarHBondContact OD2-OG1 3.27Å; D30-L33 HydrophobicContact CB-CB 4.48Å; D30-L33 HydrophobicContact CB-CD1 3.9Å; D30-L33 HydrophobicContact CB-CG 3.98Å; D30-L33 PolarHBondContact O-N 2.78Å; D30-L33 PolarHBondContact OD1-N 3.01Å
31	P	51.9	Low	41.3	Very low	16 Å²	16	118.4 Å²	118.4	10%	0.104	61%	0.61	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-5.6	176.7	30.1	-31.1	0	0	0	113.4	A71 R79	P31-A71 HydrophobicContact CB-CB 3.72Å; P31-A71 HydrophobicContact CG-CB 4.09Å; P31-R79 WeakPolarHBondContact CG-O 3.48Å
32	T	46.7	Very low	42	Very low	88 Å²	88	114.8 Å²	114.8	54%	0.54	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-13.2	176.3	74.4	0	0	0	0	113.2	D30 M34	D30-T32 PolarHBondContact O-N 3.33Å; D30-T32 WeakPolarHBondContact OD1-CA 3.31Å; D30-T32 VanDerWaalsContact OD1-CB 3.29Å; D30-T32 WeakPolarHBondContact OD1-CB 3.37Å; D30-T32 PolarHBondContact OD1-N 3.39Å; D30-T32 PolarHBondContact OD1-OG1 3.48Å; D30-T32 PolarHBondContact OD2-OG1 3.27Å; T32-M34 PolarHBondContact O-N 2.91Å
33	L	48.1	Very low	43	Very low	107 Å²	107	111.9 Å²	111.9	56%	0.56	58%	0.58	S	S	*	*	S	Bend	trans	-64.5	110.3	171.3	-81.2	174.2	0	0	0	109.3	D30 W35	D30-L33 HydrophobicContact CB-CB 4.48Å; D30-L33 HydrophobicContact CB-CD1 3.9Å; D30-L33 HydrophobicContact CB-CG 3.98Å; D30-L33 PolarHBondContact O-N 2.78Å; D30-L33 PolarHBondContact OD1-N 3.01Å; L33-W35 PolarHBondContact O-N 2.9Å
34	M	48.1	Very low	44.9	Very low	171 Å²	171	106.8 Å²	106.8	84%	0.842	56%	0.558	S	S	*	*			trans	-47.8	134.2	177.7	-70.1	-89.3	-83.8	0	0	110.7	T32 K36	T32-M34 PolarHBondContact O-N 2.91Å; M34-K36 PolarHBondContact O-N 3.26Å
35	W	47.4	Very low	46.6	Very low	133 Å²	133	102.1 Å²	102.1	50%	0.504	54%	0.535	S	S	.	.			trans	-41.9	112.6	154.9	-170.9	-73.6	0	0	0	107.2	L33 D37	L33-W35 PolarHBondContact O-N 2.9Å; W35-D37 VanDerWaalsContact C-N 3.32Å; W35-D37 PolarHBondContact O-N 3.24Å
36	K	41.7	Very low	48.6	Very low	195 Å²	195	101.3 Å²	101.3	85%	0.848	51%	0.513	S	S	*	.			trans	-61.2	106.4	171.5	-95.9	-177.1	178.3	174.3	0	106.2	M34 R38	M34-K36 PolarHBondContact O-N 3.26Å; K36-R38 VanDerWaalsContact C-N 3.3Å; K36-R38 PolarHBondContact O-N 3.4Å
37	D	42.7	Very low	50.1	Low	129 Å²	129	103.4 Å²	103.4	69%	0.69	52%	0.522	S	S	*	.	S	Bend	trans	-54.3	84.8	179.8	-164.2	9.3	0	0	0	111	W35	W35-D37 VanDerWaalsContact C-N 3.32Å; W35-D37 PolarHBondContact O-N 3.24Å
38	R	33.4	Very low	51.9	Low	232 Å²	232	102.1 Å²	102.1	88%	0.875	51%	0.513	S	S	*	.	S	Bend	trans	-152.7	46.3	163.7	-71	-160.1	-177	-170.3	-0.3	111.5	K36	K36-R38 VanDerWaalsContact C-N 3.3Å; K36-R38 PolarHBondContact O-N 3.4Å
39	T	33.7	Very low	53.5	Low	72 Å²	72	97 Å²	97	44%	0.442	49%	0.489	S	S	.	.			trans	-173.9	95	145	40.5	0	0	0	0	106.7	D41	T39-D41 PolarHBondContact O-N 3.01Å
40	T	36.1	Very low	54.8	Low	133 Å²	133	94.6 Å²	94.6	82%	0.816	48%	0.482	S	S	*	.			trans	-60.4	19.7	157	35.3	0	0	0	0	113.5	C42	T40-C42 PolarHBondContact O-N 2.89Å
41	D	39.3	Very low	55.9	Low	116 Å²	116	98.9 Å²	98.9	62%	0.62	50%	0.498	S	S	*	.	S	Bend	trans	-89.9	107.8	161.2	-70.5	-26.8	0	0	0	105.9	T39 V43	T39-D41 PolarHBondContact O-N 3.01Å; D41-V43 HydrophobicContact CB-CG2 4.45Å; D41-V43 PolarHBondContact O-N 3.28Å
42	C	44.4	Very low	57.2	Low	90 Å²	90	100.5 Å²	100.5	61%	0.608	50%	0.503	S	S	*	.			trans	-34.8	77.9	140.3	-149.8	0	0	0	0	108.9	T40 D44	T40-C42 PolarHBondContact O-N 2.89Å; C42-D44 WeakPolarHBondContact O-CA 3.21Å; C42-D44 PolarHBondContact O-N 3.01Å
43	V	47.9	Very low	58.4	Low	69 Å²	69	100 Å²	100	42%	0.418	50%	0.497	S	S	.	.			trans	-67.8	91.8	171.7	178.2	0	0	0	0	103.2	D41 L45 R65	D41-V43 HydrophobicContact CB-CG2 4.45Å; D41-V43 PolarHBondContact O-N 3.28Å; V43-L45 PolarHBondContact O-N 3.46Å; V43-R65 PolarHBondContact O-NH1 3.12Å
44	D	69.7	Low	59.6	Low	72 Å²	72	100.1 Å²	100.1	39%	0.385	51%	0.507	S	S	.	.			trans	-31.1	110.3	-155.6	-176.4	16.5	0	0	0	113.4	C42 K46 K47 V48	C42-D44 WeakPolarHBondContact O-CA 3.21Å; C42-D44 PolarHBondContact O-N 3.01Å; D44-K46 PolarHBondContact O-N 2.98Å; D44-K46 WeakPolarHBondContact OD1-CB 3.33Å; D44-K46 PolarHBondContact OD1-N 3.06Å; D44-K47 HydrophobicContact CB-CB 3.6Å; D44-K47 WeakPolarHBondContact O-CA 3.43Å; D44-K47 WeakPolarHBondContact O-CB 3.49Å; D44-K47 PolarHBondContact O-N 3.39Å; D44-K47 PolarHBondContact OD2-N 3.44Å; D44-V48 PolarHBondContact O-N 2.92Å
45	L	74.1	Confident	60.8	Low	22 Å²	22	96.9 Å²	96.9	12%	0.115	50%	0.501	C	S	.	.	H	α-helix	trans	-51.6	-37.6	173.6	-81.5	172.2	0	0	0	109.5	V43 V48 F49 L69 V122 F154 P155	V43-L45 PolarHBondContact O-N 3.46Å; L45-V48 PolarHBondContact O-N 3.06Å; L45-F49 HydrophobicContact CB-CD2 4.46Å; L45-F49 HydrophobicContact CD2-CD2 4.01Å; L45-F49 HydrophobicContact CD2-CE2 3.59Å; L45-F49 WeakPolarHBondContact O-CB 3.29Å; L45-F49 VanDerWaalsContact O-CD2 3.26Å; L45-F49 WeakPolarHBondContact O-CD2 3.38Å; L45-F49 PolarHBondContact O-N 2.91Å; L45-L69 HydrophobicContact CD2-CD1 4.4Å; L45-V122 HydrophobicContact CB-CG1 4.37Å; L45-F154 HydrophobicContact CD1-CD2 4.09Å; L45-F154 HydrophobicContact CD1-CE2 4.01Å; L45-P155 WeakPolarHBondContact CD1-O 3.23Å
46	K	72.6	Confident	62.3	Low	80 Å²	80	92.6 Å²	92.6	35%	0.348	49%	0.494	S	S	.	.	H	α-helix	trans	-57.6	-51.5	171.6	-175.4	-173.8	170.8	175	0	110.9	D44 V48 F49 S50 C124	D44-K46 PolarHBondContact O-N 2.98Å; D44-K46 WeakPolarHBondContact OD1-CB 3.33Å; D44-K46 PolarHBondContact OD1-N 3.06Å; K46-V48 VanDerWaalsContact C-N 3.25Å; K46-V48 PolarHBondContact O-N 2.98Å; K46-F49 PolarHBondContact O-N 3.17Å; K46-S50 WeakPolarHBondContact O-CA 3.18Å; K46-S50 WeakPolarHBondContact O-CB 3.29Å; K46-S50 PolarHBondContact O-N 2.85Å; K46-S50 PolarHBondContact O-OG 3.38Å; K46-C124 WeakPolarHBondContact CE-O 3.45Å; K46-C124 PolarHBondContact NZ-O 3.05Å
47	K	77.1	Confident	64.2	Low	122 Å²	122	89.4 Å²	89.4	53%	0.53	49%	0.493	S	S	.	.	H	α-helix	trans	-59	-30.7	178	-174	179.2	-177.4	179.1	0	114.2	D44 S50 K51	D44-K47 HydrophobicContact CB-CB 3.6Å; D44-K47 WeakPolarHBondContact O-CA 3.43Å; D44-K47 WeakPolarHBondContact O-CB 3.49Å; D44-K47 PolarHBondContact O-N 3.39Å; D44-K47 PolarHBondContact OD2-N 3.44Å; K47-S50 PolarHBondContact O-OG 3.27Å; K47-K51 WeakPolarHBondContact O-CE 3.32Å; K47-K51 WeakPolarHBondContact O-CG 3.42Å
48	V	81.6	Confident	66.1	Low	8 Å²	8	85.2 Å²	85.2	5%	0.048	47%	0.47	C	S	.	.	H	α-helix	trans	-83	-50	177.9	173.2	0	0	0	0	111.5	D44 L45 K46 S50 K51 E61 I62	D44-V48 PolarHBondContact O-N 2.92Å; L45-V48 PolarHBondContact O-N 3.06Å; K46-V48 VanDerWaalsContact C-N 3.25Å; K46-V48 PolarHBondContact O-N 2.98Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-S50 PolarHBondContact O-N 3.04Å; V48-K51 WeakPolarHBondContact O-CB 3.49Å; V48-K51 PolarHBondContact O-N 3.02Å; V48-E61 HydrophobicContact CG1-CB 4.38Å; V48-E61 HydrophobicContact CG1-CG 3.54Å; V48-E61 HydrophobicContact CG2-CG 4.29Å; V48-I62 HydrophobicContact CG1-CG1 3.92Å
49	F	82.3	Confident	68.6	Low	0 Å²	0	76.5 Å²	76.5	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-71.9	-25.4	-178	-77.5	-99.9	0	0	0	112	L45 K46 K51 F52 I62 R65 A66 L98 F100 L120 V122	L45-F49 HydrophobicContact CB-CD2 4.46Å; L45-F49 HydrophobicContact CD2-CD2 4.01Å; L45-F49 HydrophobicContact CD2-CE2 3.59Å; L45-F49 WeakPolarHBondContact O-CB 3.29Å; L45-F49 VanDerWaalsContact O-CD2 3.26Å; L45-F49 WeakPolarHBondContact O-CD2 3.38Å; L45-F49 PolarHBondContact O-N 2.91Å; K46-F49 PolarHBondContact O-N 3.17Å; F49-K51 PolarHBondContact O-N 2.92Å; F49-F52 WeakPolarHBondContact O-CB 3.36Å; F49-F52 PolarHBondContact O-N 3.28Å; F49-I62 HydrophobicContact CD1-CG2 4.15Å; F49-I62 HydrophobicContact CE1-CG2 3.86Å; F49-I62 HydrophobicContact CZ-CG2 4.38Å; F49-R65 HydrophobicContact CE2-CB 4.05Å; F49-R65 HydrophobicContact CZ-CB 4.28Å; F49-A66 HydrophobicContact CE1-CB 4.48Å; F49-A66 HydrophobicContact CZ-CB 4.25Å; F49-L98 VanDerWaalsContact C-CD1 3.41Å; F49-L98 HydrophobicContact CB-CD1 3.78Å; F49-L98 WeakPolarHBondContact O-CD1 3.49Å; F49-F100 HydrophobicContact CB-CE2 4.47Å; F49-F100 HydrophobicContact CD1-CD2 4Å; F49-F100 AromaticContact CD1-CE2 3.43Å; F49-F100 HydrophobicContact CD1-CE2 3.43Å; F49-F100 VanDerWaalsContact CD1-CE2 3.43Å; F49-F100 AromaticContact CD1-CZ 3.82Å; F49-F100 HydrophobicContact CD1-CZ 3.82Å; F49-F100 HydrophobicContact CE1-CD2 4.24Å; F49-F100 HydrophobicContact CE1-CE2 4.11Å; F49-F100 HydrophobicContact CG-CE2 4.41Å; F49-L120 HydrophobicContact CE1-CD2 3.77Å; F49-L120 HydrophobicContact CZ-CD2 4.04Å; F49-V122 HydrophobicContact CB-CG1 4.23Å; F49-V122 HydrophobicContact CB-CG2 4.36Å; F49-V122 HydrophobicContact CD1-CG2 3.87Å; F49-V122 HydrophobicContact CD2-CG2 4.35Å; F49-V122 HydrophobicContact CE1-CG2 4.18Å; F49-V122 HydrophobicContact CG-CG1 4.45Å; F49-V122 HydrophobicContact CG-CG2 3.93Å
50	S	76.7	Confident	71.1	Confident	73 Å²	73	75.6 Å²	75.6	51%	0.51	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.1	173.4	69.8	0	0	0	0	114.1	K46 K47 V48 F52	K46-S50 WeakPolarHBondContact O-CA 3.18Å; K46-S50 WeakPolarHBondContact O-CB 3.29Å; K46-S50 PolarHBondContact O-N 2.85Å; K46-S50 PolarHBondContact O-OG 3.38Å; K47-S50 PolarHBondContact O-OG 3.27Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-S50 PolarHBondContact O-N 3.04Å; S50-F52 PolarHBondContact O-N 3.46Å
51	K	78.4	Confident	73.4	Confident	148 Å²	148	73.1 Å²	73.1	64%	0.643	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.8	170.5	-61.8	174.6	-176.2	-178.5	0	112.5	K47 V48 F49 D53	K47-K51 WeakPolarHBondContact O-CE 3.32Å; K47-K51 WeakPolarHBondContact O-CG 3.42Å; V48-K51 WeakPolarHBondContact O-CB 3.49Å; V48-K51 PolarHBondContact O-N 3.02Å; F49-K51 PolarHBondContact O-N 2.92Å; K51-D53 PolarHBondContact O-N 3.4Å
52	F	79.2	Confident	75.7	Confident	50 Å²	50	67.7 Å²	67.7	22%	0.219	40%	0.4	C	S	.	.			trans	-61.8	128.3	175.5	174.7	-103.5	0	0	0	109.8	F49 S50 I58 I62 A90 F100	F49-F52 WeakPolarHBondContact O-CB 3.36Å; F49-F52 PolarHBondContact O-N 3.28Å; S50-F52 PolarHBondContact O-N 3.46Å; F52-I58 HydrophobicContact CD2-CG1 4.19Å; F52-I58 HydrophobicContact CE2-CD1 4.26Å; F52-I58 HydrophobicContact CE2-CG1 3.76Å; F52-I62 HydrophobicContact CB-CD1 4.05Å; F52-A90 HydrophobicContact CD1-CB 4.11Å; F52-A90 HydrophobicContact CE1-CB 3.21Å; F52-A90 HydrophobicContact CE2-CB 4.07Å; F52-A90 HydrophobicContact CZ-CB 3.19Å; F52-F100 HydrophobicContact CB-CE1 4.3Å; F52-F100 HydrophobicContact CB-CZ 4.05Å; F52-F100 HydrophobicContact CD1-CE1 4.08Å; F52-F100 HydrophobicContact CD1-CZ 4.26Å; F52-F100 AromaticContact CD2-CE1 3.84Å; F52-F100 HydrophobicContact CD2-CE1 3.84Å; F52-F100 HydrophobicContact CD2-CZ 4.43Å; F52-F100 HydrophobicContact CE1-CE1 4.45Å; F52-F100 HydrophobicContact CE2-CE1 4.23Å; F52-F100 AromaticContact CG-CE1 3.76Å; F52-F100 HydrophobicContact CG-CE1 3.76Å; F52-F100 AromaticContact CG-CZ 3.96Å; F52-F100 HydrophobicContact CG-CZ 3.96Å
53	D	72.5	Confident	77.8	Confident	79 Å²	79	65.3 Å²	65.3	42%	0.422	38%	0.381	S	S	.	.			trans	-124.4	116.8	174.9	177.8	-4.8	0	0	0	107.5	K51 S55 A56	K51-D53 PolarHBondContact O-N 3.4Å; D53-S55 PolarHBondContact O-N 3.1Å; D53-S55 VanDerWaalsContact O-N 3.15Å; D53-S55 WeakPolarHBondContact OD1-CB 3.49Å; D53-S55 PolarHBondContact OD1-N 3.27Å; D53-S55 PolarHBondContact OD1-OG 3.34Å; D53-S55 PolarHBondContact OD2-OG 2.91Å; D53-S55 VanDerWaalsContact OD2-OG 3.07Å; D53-A56 HydrophobicContact CB-CB 4.08Å; D53-A56 PolarHBondContact O-N 3.44Å; D53-A56 VanDerWaalsContact O-N 3.07Å; D53-A56 VanDerWaalsContact O-O 3.11Å
54	S	72.6	Confident	79.7	Confident	108 Å²	108	64.1 Å²	64.1	76%	0.755	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.9	179.5	63.8	0	0	0	0	114.1
55	S	73.1	Confident	80.5	Confident	103 Å²	103	61.9 Å²	61.9	72%	0.72	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.9	177.9	74.6	0	0	0	0	113.7	D53	D53-S55 PolarHBondContact O-N 3.1Å; D53-S55 VanDerWaalsContact O-N 3.15Å; D53-S55 WeakPolarHBondContact OD1-CB 3.49Å; D53-S55 PolarHBondContact OD1-N 3.27Å; D53-S55 PolarHBondContact OD1-OG 3.34Å; D53-S55 PolarHBondContact OD2-OG 2.91Å; D53-S55 VanDerWaalsContact OD2-OG 3.07Å
56	A	78.8	Confident	81.4	Confident	44 Å²	44	60.9 Å²	60.9	36%	0.364	35%	0.351	S	S	.	.	S	Bend	trans	-118.5	156.8	-177.1	0	0	0	0	0	112.1	D53 I58	D53-A56 HydrophobicContact CB-CB 4.08Å; D53-A56 PolarHBondContact O-N 3.44Å; D53-A56 VanDerWaalsContact O-N 3.07Å; D53-A56 VanDerWaalsContact O-O 3.11Å; A56-I58 PolarHBondContact O-N 3.04Å
57	P	81.8	Confident	82.3	Confident	128 Å²	128	57.4 Å²	57.4	83%	0.831	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-57.2	140.1	169.1	-23	33.7	0	0	0	111.5	S59	P57-S59 PolarHBondContact O-N 3.11Å
58	I	82.4	Confident	83	Confident	40 Å²	40	54.2 Å²	54.2	21%	0.205	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-60.6	127.8	177.6	-63.5	173.2	0	0	0	109.4	F52 A56 I62 L63 I88	F52-I58 HydrophobicContact CD2-CG1 4.19Å; F52-I58 HydrophobicContact CE2-CD1 4.26Å; F52-I58 HydrophobicContact CE2-CG1 3.76Å; A56-I58 PolarHBondContact O-N 3.04Å; I58-I62 HydrophobicContact CG2-CB 3.74Å; I58-I62 HydrophobicContact CG2-CG2 3.51Å; I58-L63 HydrophobicContact CB-CD2 4.31Å; I58-L63 HydrophobicContact CB-CG 4.42Å; I58-L63 HydrophobicContact CG2-CD2 3.91Å; I58-L63 HydrophobicContact CG2-CG 3.88Å; I58-I88 HydrophobicContact CD1-CG2 3.66Å; I58-I88 WeakPolarHBondContact CD1-O 3.4Å; I58-I88 HydrophobicContact CG2-CG2 4.48Å
59	S	86.2	Confident	83.5	Confident	50 Å²	50	54.4 Å²	54.4	35%	0.35	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-61.7	146.7	-178.3	73.4	0	0	0	0	112.3	P57 E61 I62 L63	P57-S59 PolarHBondContact O-N 3.11Å; S59-E61 PolarHBondContact O-N 3.43Å; S59-I62 PolarHBondContact O-N 3.18Å; S59-I62 WeakPolarHBondContact OG-CG1 3.41Å; S59-I62 PolarHBondContact OG-N 2.6Å; S59-L63 PolarHBondContact O-N 3.44Å
60	G	85.4	Confident	84.1	Confident	52 Å²	52	54.5 Å²	54.5	54%	0.536	32%	0.323	S	S	.	.	H	α-helix	trans	-56.7	-33.2	177	0	0	0	0	0	113.4	L63 F64	G60-L63 PolarHBondContact O-N 3.29Å; G60-F64 VanDerWaalsContact O-CB 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.48Å; G60-F64 PolarHBondContact O-N 3.43Å
61	E	85.4	Confident	84.8	Confident	82 Å²	82	51.2 Å²	51.2	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-45.3	174.2	-177	91	-162.2	0	0	111.6	V48 S59 R65	V48-E61 HydrophobicContact CG1-CB 4.38Å; V48-E61 HydrophobicContact CG1-CG 3.54Å; V48-E61 HydrophobicContact CG2-CG 4.29Å; S59-E61 PolarHBondContact O-N 3.43Å; E61-R65 WeakPolarHBondContact O-CB 3.16Å; E61-R65 VanDerWaalsContact O-CG 3.31Å; E61-R65 WeakPolarHBondContact O-CG 3.19Å; E61-R65 PolarHBondContact O-N 2.58Å; E61-R65 IonicContact OE1-CZ 3.29Å; E61-R65 VanDerWaalsContact OE1-CZ 3.29Å; E61-R65 IonicContact OE1-NE 3.04Å; E61-R65 PolarHBondContact OE1-NE 3.12Å; E61-R65 IonicContact OE1-NH2 2.81Å; E61-R65 PolarHBondContact OE1-NH2 3.26Å
62	I	87.2	Confident	85.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-46.6	177	-70	169.1	0	0	0	110.2	V48 F49 F52 I58 S59 F64 R65 A66 I88	V48-I62 HydrophobicContact CG1-CG1 3.92Å; F49-I62 HydrophobicContact CD1-CG2 4.15Å; F49-I62 HydrophobicContact CE1-CG2 3.86Å; F49-I62 HydrophobicContact CZ-CG2 4.38Å; F52-I62 HydrophobicContact CB-CD1 4.05Å; I58-I62 HydrophobicContact CG2-CB 3.74Å; I58-I62 HydrophobicContact CG2-CG2 3.51Å; S59-I62 PolarHBondContact O-N 3.18Å; S59-I62 WeakPolarHBondContact OG-CG1 3.41Å; S59-I62 PolarHBondContact OG-N 2.6Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 3.19Å; I62-R65 PolarHBondContact O-N 2.5Å; I62-A66 VanDerWaalsContact O-CB 3.28Å; I62-A66 WeakPolarHBondContact O-CB 3.23Å; I62-A66 PolarHBondContact O-N 3.17Å; I62-I88 HydrophobicContact CG2-CD1 4.44Å
63	L	89.3	Confident	86	Confident	40 Å²	40	50.7 Å²	50.7	21%	0.209	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-48.2	178.3	-67.7	172.5	0	0	0	111.2	I58 S59 G60 R67 I83 F86 I88	I58-L63 HydrophobicContact CB-CD2 4.31Å; I58-L63 HydrophobicContact CB-CG 4.42Å; I58-L63 HydrophobicContact CG2-CD2 3.91Å; I58-L63 HydrophobicContact CG2-CG 3.88Å; S59-L63 PolarHBondContact O-N 3.44Å; G60-L63 PolarHBondContact O-N 3.29Å; L63-R67 VanDerWaalsContact O-CB 3.29Å; L63-R67 WeakPolarHBondContact O-CB 3.05Å; L63-R67 PolarHBondContact O-N 2.88Å; L63-I83 HydrophobicContact CB-CD1 3.73Å; L63-F86 HydrophobicContact CD2-CD1 4.03Å; L63-I88 HydrophobicContact CD2-CG2 3.34Å
64	F	87	Confident	87	Confident	45 Å²	45	47.8 Å²	47.8	20%	0.197	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-47.7	-179.2	-179.1	-92.7	0	0	0	111.6	F26 G60 I62 R67 F68 I83	F26-F64 HydrophobicContact CB-CE2 4.17Å; F26-F64 HydrophobicContact CD1-CD1 4.18Å; F26-F64 HydrophobicContact CD1-CD2 4.04Å; F26-F64 AromaticContact CD1-CE1 3.88Å; F26-F64 HydrophobicContact CD1-CE1 3.88Å; F26-F64 AromaticContact CD1-CE2 3.73Å; F26-F64 HydrophobicContact CD1-CE2 3.73Å; F26-F64 HydrophobicContact CD1-CG 4.26Å; F26-F64 AromaticContact CD1-CZ 3.65Å; F26-F64 HydrophobicContact CD1-CZ 3.65Å; F26-F64 HydrophobicContact CE1-CD1 4.12Å; F26-F64 HydrophobicContact CE1-CE1 4.11Å; F26-F64 HydrophobicContact CE1-CG 4.35Å; F26-F64 HydrophobicContact CE1-CZ 4.35Å; F26-F64 HydrophobicContact CG-CD2 4.4Å; F26-F64 HydrophobicContact CG-CE2 4.16Å; F26-F64 HydrophobicContact CG-CZ 4.47Å; G60-F64 VanDerWaalsContact O-CB 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.48Å; G60-F64 PolarHBondContact O-N 3.43Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 3.19Å; F64-R67 PolarHBondContact O-N 3.48Å; F64-F68 WeakPolarHBondContact O-CB 3.5Å; F64-F68 PolarHBondContact O-N 3.13Å; F64-I83 HydrophobicContact CB-CD1 4.49Å
65	R	87.8	Confident	88	Confident	25 Å²	25	43 Å²	43	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-46.3	179.8	-72.7	-179.7	-177.7	-132.9	0.7	112.2	V43 F49 E61 I62 R67 F68 L69	V43-R65 PolarHBondContact O-NH1 3.12Å; F49-R65 HydrophobicContact CE2-CB 4.05Å; F49-R65 HydrophobicContact CZ-CB 4.28Å; E61-R65 WeakPolarHBondContact O-CB 3.16Å; E61-R65 VanDerWaalsContact O-CG 3.31Å; E61-R65 WeakPolarHBondContact O-CG 3.19Å; E61-R65 PolarHBondContact O-N 2.58Å; E61-R65 IonicContact OE1-CZ 3.29Å; E61-R65 VanDerWaalsContact OE1-CZ 3.29Å; E61-R65 IonicContact OE1-NE 3.04Å; E61-R65 PolarHBondContact OE1-NE 3.12Å; E61-R65 IonicContact OE1-NH2 2.81Å; E61-R65 PolarHBondContact OE1-NH2 3.26Å; I62-R65 PolarHBondContact O-N 2.5Å; R65-R67 PolarHBondContact O-N 3.23Å; R65-F68 PolarHBondContact O-N 3.48Å; R65-L69 VanDerWaalsContact O-CG 3.3Å; R65-L69 WeakPolarHBondContact O-CG 3.34Å; R65-L69 PolarHBondContact O-N 2.88Å
66	A	91.8	Very high	88.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-43.7	177.8	0	0	0	0	0	111.3	F49 I62 F68 L69 C70 F86 I88 L120	F49-A66 HydrophobicContact CE1-CB 4.48Å; F49-A66 HydrophobicContact CZ-CB 4.25Å; I62-A66 VanDerWaalsContact O-CB 3.28Å; I62-A66 WeakPolarHBondContact O-CB 3.23Å; I62-A66 PolarHBondContact O-N 3.17Å; A66-F68 PolarHBondContact O-N 2.96Å; A66-L69 PolarHBondContact O-N 3.01Å; A66-C70 PolarHBondContact O-N 3.47Å; A66-C70 PolarHBondContact O-SG 2.88Å; A66-F86 HydrophobicContact CB-CE1 3.63Å; A66-F86 HydrophobicContact CB-CZ 3.72Å; A66-I88 HydrophobicContact CB-CD1 3.73Å; A66-L120 HydrophobicContact CB-CD2 4.02Å
67	R	92.4	Very high	89.5	Confident	8 Å²	8	36.8 Å²	36.8	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-45.6	175.3	-170.6	-173.5	82.5	94.5	-4.5	112.2	L63 F64 R65 C70 A71 V81 I83 F86	L63-R67 VanDerWaalsContact O-CB 3.29Å; L63-R67 WeakPolarHBondContact O-CB 3.05Å; L63-R67 PolarHBondContact O-N 2.88Å; F64-R67 PolarHBondContact O-N 3.48Å; R65-R67 PolarHBondContact O-N 3.23Å; R67-C70 PolarHBondContact O-N 2.94Å; R67-A71 PolarHBondContact O-N 3.24Å; R67-V81 WeakPolarHBondContact CD-O 3.48Å; R67-V81 PolarHBondContact NH1-O 2.97Å; R67-I83 HydrophobicContact CB-CD1 4.32Å; R67-F86 HydrophobicContact CB-CD1 4.31Å; R67-F86 HydrophobicContact CB-CD2 3.89Å; R67-F86 HydrophobicContact CB-CE1 4.43Å; R67-F86 HydrophobicContact CB-CE2 4.03Å; R67-F86 HydrophobicContact CB-CG 4.04Å; R67-F86 HydrophobicContact CB-CZ 4.29Å; R67-F86 HydrophobicContact CG-CD2 3.9Å; R67-F86 HydrophobicContact CG-CE2 4.34Å; R67-F86 HydrophobicContact CG-CG 4.26Å
68	F	90.4	Very high	90.1	Very high	55 Å²	55	30.7 Å²	30.7	24%	0.241	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-46.5	176.3	173.2	-96.8	0	0	0	111.9	F64 R65 A66 C70 A71 K72	F64-F68 WeakPolarHBondContact O-CB 3.5Å; F64-F68 PolarHBondContact O-N 3.13Å; R65-F68 PolarHBondContact O-N 3.48Å; A66-F68 PolarHBondContact O-N 2.96Å; F68-C70 VanDerWaalsContact C-N 3.33Å; F68-C70 PolarHBondContact O-N 3.34Å; F68-A71 PolarHBondContact O-N 2.77Å; F68-K72 HydrophobicContact CE1-CD 3.94Å; F68-K72 HydrophobicContact CZ-CD 3.9Å; F68-K72 WeakPolarHBondContact O-CB 3.44Å; F68-K72 PolarHBondContact O-N 3.28Å
69	L	92.8	Very high	90.6	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-44.4	176.6	-69.9	173.4	0	0	0	111.2	L45 R65 A66 K72 Y73 L120 F154 F159	L45-L69 HydrophobicContact CD2-CD1 4.4Å; R65-L69 VanDerWaalsContact O-CG 3.3Å; R65-L69 WeakPolarHBondContact O-CG 3.34Å; R65-L69 PolarHBondContact O-N 2.88Å; A66-L69 PolarHBondContact O-N 3.01Å; L69-K72 PolarHBondContact O-N 2.87Å; L69-Y73 HydrophobicContact CD2-CD2 4.04Å; L69-Y73 HydrophobicContact CD2-CE2 3.7Å; L69-Y73 WeakPolarHBondContact O-CD2 3.28Å; L69-Y73 PolarHBondContact O-N 3.19Å; L69-L120 HydrophobicContact CD1-CD1 4.19Å; L69-F154 HydrophobicContact CD1-CE2 3.95Å; L69-F154 HydrophobicContact CD1-CZ 3.99Å; L69-F154 HydrophobicContact CD2-CD1 4.33Å; L69-F154 HydrophobicContact CD2-CD2 4.01Å; L69-F154 HydrophobicContact CD2-CE2 4.24Å; L69-F154 HydrophobicContact CD2-CG 4.09Å; L69-F159 HydrophobicContact CB-CE2 3.85Å; L69-F159 HydrophobicContact CB-CZ 3.79Å
70	C	94.2	Very high	90.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	19%	0.191	C	C	.	.	I	π-helix	trans	-60.3	-49.8	176.7	-62.7	0	0	0	0	111.6	A66 R67 F68 K72 L74 G75 W78 F86 F159	A66-C70 PolarHBondContact O-N 3.47Å; A66-C70 PolarHBondContact O-SG 2.88Å; R67-C70 PolarHBondContact O-N 2.94Å; F68-C70 VanDerWaalsContact C-N 3.33Å; F68-C70 PolarHBondContact O-N 3.34Å; C70-K72 VanDerWaalsContact C-N 3.31Å; C70-K72 PolarHBondContact O-N 3.3Å; C70-L74 HydrophobicContact CB-CD1 4.2Å; C70-L74 WeakPolarHBondContact O-CA 3.26Å; C70-L74 VanDerWaalsContact O-CB 3.25Å; C70-L74 WeakPolarHBondContact O-CB 3.43Å; C70-L74 PolarHBondContact O-N 2.88Å; C70-G75 PolarHBondContact O-N 2.93Å; C70-W78 HydrophobicContact CB-CB 4.21Å; C70-W78 HydrophobicContact CB-CD2 3.92Å; C70-W78 HydrophobicContact CB-CE3 3.48Å; C70-W78 VanDerWaalsContact CB-CE3 3.48Å; C70-W78 HydrophobicContact CB-CG 4.26Å; C70-W78 HydrophobicContact CB-CZ3 4.11Å; C70-F86 HydrophobicContact CB-CE2 4.47Å; C70-F159 HydrophobicContact CB-CZ 4.44Å
71	A	91.4	Very high	91	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.033	17%	0.166	C	C	.	.	I	π-helix	trans	-62.1	-37.5	-179.6	0	0	0	0	0	113	P31 R67 F68 G75 R79	P31-A71 HydrophobicContact CB-CB 3.72Å; P31-A71 HydrophobicContact CG-CB 4.09Å; R67-A71 PolarHBondContact O-N 3.24Å; F68-A71 PolarHBondContact O-N 2.77Å; A71-G75 WeakPolarHBondContact O-CA 3.26Å; A71-R79 HydrophobicContact CB-CG 4.26Å; A71-R79 WeakPolarHBondContact O-CG 3.16Å
72	K	91	Very high	91.2	Very high	119 Å²	119	37.9 Å²	37.9	52%	0.517	17%	0.169	S	C	.	.	I	π-helix	trans	-74.9	-48.5	-178.8	-177	173.5	178.5	-176.5	0	112.7	F68 L69 C70	F68-K72 HydrophobicContact CE1-CD 3.94Å; F68-K72 HydrophobicContact CZ-CD 3.9Å; F68-K72 WeakPolarHBondContact O-CB 3.44Å; F68-K72 PolarHBondContact O-N 3.28Å; L69-K72 PolarHBondContact O-N 2.87Å; C70-K72 VanDerWaalsContact C-N 3.31Å; C70-K72 PolarHBondContact O-N 3.3Å
73	Y	92.8	Very high	91.2	Very high	68 Å²	68	39.3 Å²	39.3	27%	0.267	18%	0.176	S	C	.	.	I	π-helix	trans	-99.4	-30.9	-169.2	-65.3	-77.7	0	0	0	114.1	L69 V153 F154	L69-Y73 HydrophobicContact CD2-CD2 4.04Å; L69-Y73 HydrophobicContact CD2-CE2 3.7Å; L69-Y73 WeakPolarHBondContact O-CD2 3.28Å; L69-Y73 PolarHBondContact O-N 3.19Å; Y73-V153 WeakPolarHBondContact CE1-O 3.36Å; Y73-F154 HydrophobicContact CD1-CB 4.47Å; Y73-F154 HydrophobicContact CD2-CB 4.19Å; Y73-F154 AromaticContact CD2-CD1 3.89Å; Y73-F154 HydrophobicContact CD2-CD1 3.89Å; Y73-F154 HydrophobicContact CD2-CG 4.3Å; Y73-F154 HydrophobicContact CE1-CB 3.83Å; Y73-F154 HydrophobicContact CE2-CB 3.49Å; Y73-F154 VanDerWaalsContact CE2-CB 3.49Å; Y73-F154 HydrophobicContact CE2-CD1 4.01Å; Y73-F154 AromaticContact CE2-CG 3.93Å; Y73-F154 HydrophobicContact CE2-CG 3.93Å; Y73-F154 HydrophobicContact CG-CD1 4.27Å; Y73-F154 WeakPolarHBondContact OH-CB 3.48Å
74	L	94.2	Very high	91.2	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	20%	0.196	C	C	.	.	I	π-helix	trans	-89.7	-33.5	174.9	-53.6	178.1	0	0	0	111.6	C70 W78 E114 P115 A118 L151 F159	C70-L74 HydrophobicContact CB-CD1 4.2Å; C70-L74 WeakPolarHBondContact O-CA 3.26Å; C70-L74 VanDerWaalsContact O-CB 3.25Å; C70-L74 WeakPolarHBondContact O-CB 3.43Å; C70-L74 PolarHBondContact O-N 2.88Å; L74-W78 HydrophobicContact CB-CG 3.98Å; L74-W78 HydrophobicContact CD1-CD2 4Å; L74-W78 HydrophobicContact CD1-CG 4.24Å; L74-W78 HydrophobicContact CD1-CZ2 4.05Å; L74-E114 WeakPolarHBondContact O-CB 3.46Å; L74-P115 HydrophobicContact CD1-CG 4.5Å; L74-P115 HydrophobicContact CD2-CG 4.39Å; L74-A118 HydrophobicContact CD1-CB 3.87Å; L74-A118 HydrophobicContact CD2-CB 4.5Å; L74-L151 HydrophobicContact CD2-CB 3.79Å; L74-L151 HydrophobicContact CD2-CD1 4.32Å; L74-F159 HydrophobicContact CD1-CD1 4.2Å; L74-F159 HydrophobicContact CD1-CE1 4.21Å; L74-F159 HydrophobicContact CD1-CG 4.47Å; L74-F159 HydrophobicContact CD2-CB 3.89Å; L74-F159 HydrophobicContact CD2-CD1 4.36Å; L74-F159 HydrophobicContact CD2-CD2 4.1Å; L74-F159 HydrophobicContact CD2-CG 3.88Å; L74-F159 HydrophobicContact CG-CD1 4.48Å; L74-F159 HydrophobicContact CG-CD2 4.24Å; L74-F159 HydrophobicContact CG-CE2 4.43Å; L74-F159 HydrophobicContact CG-CG 4.27Å
75	G	91.8	Very high	91.3	Very high	8 Å²	8	45 Å²	45	8%	0.082	20%	0.203	C	C	.	.			trans	69.3	-156.4	175.2	0	0	0	0	0	114.1	C70 A71 A77 W78	C70-G75 PolarHBondContact O-N 2.93Å; A71-G75 WeakPolarHBondContact O-CA 3.26Å; G75-A77 PolarHBondContact O-N 2.92Å; G75-W78 VanDerWaalsContact O-CB 3.25Å; G75-W78 WeakPolarHBondContact O-CB 3.45Å; G75-W78 PolarHBondContact O-N 2.98Å
76	G	92	Very high	91.5	Very high	14 Å²	14	44.5 Å²	44.5	14%	0.144	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	51.8	-129.2	176.8	0	0	0	0	0	114.5	W78 R79 E114	G76-W78 PolarHBondContact O-N 2.86Å; G76-R79 WeakPolarHBondContact O-CB 3.35Å; G76-R79 PolarHBondContact O-N 3.39Å; G76-E114 WeakPolarHBondContact CA-OE1 3.33Å
77	A	93.3	Very high	91.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.1	-29.8	178.7	0	0	0	0	0	113.4	G75 R79 K80 L104 T109 I111 E114	G75-A77 PolarHBondContact O-N 2.92Å; A77-R79 PolarHBondContact O-N 3.22Å; A77-R79 VanDerWaalsContact O-N 3.15Å; A77-K80 WeakPolarHBondContact O-CB 3.43Å; A77-K80 PolarHBondContact O-N 3.06Å; A77-L104 HydrophobicContact CB-CD1 3.86Å; A77-L104 HydrophobicContact CB-CD2 4.21Å; A77-T109 WeakPolarHBondContact CB-O 3.31Å; A77-I111 HydrophobicContact CB-CD1 4.29Å; A77-I111 HydrophobicContact CB-CG1 4.23Å; A77-E114 WeakPolarHBondContact CB-OE1 3.47Å; A77-E114 PolarHBondContact N-OE1 3.21Å
78	W	94	Very high	91.6	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.4	-24.1	178.6	-65.9	94.1	0	0	0	113.3	C70 L74 G75 G76 K80 V81 F86 V102 L104 P115	C70-W78 HydrophobicContact CB-CB 4.21Å; C70-W78 HydrophobicContact CB-CD2 3.92Å; C70-W78 HydrophobicContact CB-CE3 3.48Å; C70-W78 VanDerWaalsContact CB-CE3 3.48Å; C70-W78 HydrophobicContact CB-CG 4.26Å; C70-W78 HydrophobicContact CB-CZ3 4.11Å; L74-W78 HydrophobicContact CB-CG 3.98Å; L74-W78 HydrophobicContact CD1-CD2 4Å; L74-W78 HydrophobicContact CD1-CG 4.24Å; L74-W78 HydrophobicContact CD1-CZ2 4.05Å; G75-W78 VanDerWaalsContact O-CB 3.25Å; G75-W78 WeakPolarHBondContact O-CB 3.45Å; G75-W78 PolarHBondContact O-N 2.98Å; G76-W78 PolarHBondContact O-N 2.86Å; W78-K80 PolarHBondContact O-N 3.26Å; W78-V81 HydrophobicContact CE3-CG2 4.36Å; W78-F86 HydrophobicContact CZ3-CE2 4.1Å; W78-V102 HydrophobicContact CH2-CB 3.89Å; W78-V102 HydrophobicContact CH2-CG2 3.73Å; W78-V102 HydrophobicContact CZ2-CG2 4.39Å; W78-V102 HydrophobicContact CZ3-CB 4.08Å; W78-V102 HydrophobicContact CZ3-CG2 4.17Å; W78-L104 HydrophobicContact CD2-CD2 3.45Å; W78-L104 VanDerWaalsContact CD2-CD2 3.45Å; W78-L104 HydrophobicContact CD2-CG 4.13Å; W78-L104 HydrophobicContact CE3-CD2 3.73Å; W78-L104 HydrophobicContact CG-CD2 3.86Å; W78-L104 HydrophobicContact CH2-CD2 4.25Å; W78-L104 HydrophobicContact CH2-CG 4.21Å; W78-L104 HydrophobicContact CZ2-CD2 3.99Å; W78-L104 HydrophobicContact CZ2-CG 3.75Å; W78-L104 HydrophobicContact CZ3-CD2 4.12Å; W78-P115 PolarHBondContact NE1-O 3.13Å
79	R	91.6	Very high	91.6	Very high	138 Å²	138	54.1 Å²	54.1	52%	0.521	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-70.4	-17	174.2	-63.4	-178.4	-179.6	174	3.3	113.6	P31 A71 G76 A77	P31-R79 WeakPolarHBondContact CG-O 3.48Å; A71-R79 HydrophobicContact CB-CG 4.26Å; A71-R79 WeakPolarHBondContact O-CG 3.16Å; G76-R79 WeakPolarHBondContact O-CB 3.35Å; G76-R79 PolarHBondContact O-N 3.39Å; A77-R79 PolarHBondContact O-N 3.22Å; A77-R79 VanDerWaalsContact O-N 3.15Å
80	K	89.8	Confident	91.3	Very high	133 Å²	133	55.4 Å²	55.4	58%	0.578	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-98.9	-8.9	-177.9	-58.5	-179.1	-179.1	178.1	0	113	A77 W78 K82 L108 I111	A77-K80 WeakPolarHBondContact O-CB 3.43Å; A77-K80 PolarHBondContact O-N 3.06Å; W78-K80 PolarHBondContact O-N 3.26Å; K80-K82 PolarHBondContact O-N 3.41Å; K80-L108 HydrophobicContact CB-CD1 4.41Å; K80-I111 HydrophobicContact CD-CD1 4.19Å; K80-I111 VanDerWaalsContact NZ-CD1 3.32Å
81	V	90.6	Very high	90.8	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	26%	0.262	C	S	.	.			trans	-71	121.8	-176.9	-178.7	0	0	0	0	109.6	R67 W78 F86 L104 P105 L108	R67-V81 WeakPolarHBondContact CD-O 3.48Å; R67-V81 PolarHBondContact NH1-O 2.97Å; W78-V81 HydrophobicContact CE3-CG2 4.36Å; V81-F86 HydrophobicContact CG1-CB 4.18Å; V81-F86 HydrophobicContact CG1-CD2 4Å; V81-L104 HydrophobicContact CG2-CD2 3.67Å; V81-P105 HydrophobicContact CG1-CG 4Å; V81-P105 HydrophobicContact CG2-CG 4.33Å; V81-L108 HydrophobicContact CG2-CD1 3.82Å
82	K	89.4	Confident	89.6	Confident	102 Å²	102	64.6 Å²	64.6	44%	0.443	30%	0.303	S	S	.	.			trans	-79	157.2	173.6	-62.4	-178.9	177.1	-178	0	111.3	K80 E84 E85 F86	K80-K82 PolarHBondContact O-N 3.41Å; K82-E84 VanDerWaalsContact C-N 3.28Å; K82-E84 VanDerWaalsContact CB-OE2 3.29Å; K82-E84 WeakPolarHBondContact CB-OE2 3.47Å; K82-E84 PolarHBondContact O-N 3.34Å; K82-E85 HydrophobicContact CB-CG 4.49Å; K82-E85 PolarHBondContact O-N 2.95Å; K82-F86 PolarHBondContact O-N 3.2Å; K82-F86 VanDerWaalsContact O-N 3.12Å
83	I	87.1	Confident	87.8	Confident	31 Å²	31	60.9 Å²	60.9	16%	0.159	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65.3	-32.8	-176.9	-169	66.3	0	0	0	112.2	L63 F64 R67 E85 F86	L63-I83 HydrophobicContact CB-CD1 3.73Å; F64-I83 HydrophobicContact CB-CD1 4.49Å; R67-I83 HydrophobicContact CB-CD1 4.32Å; I83-E85 PolarHBondContact O-N 3.43Å; I83-F86 PolarHBondContact O-N 3.21Å
84	E	89.4	Confident	85.9	Confident	132 Å²	132	60 Å²	60	62%	0.617	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-70.5	-23	179.5	-42.5	79.6	-136.2	0	0	112.7	K82	K82-E84 VanDerWaalsContact C-N 3.28Å; K82-E84 VanDerWaalsContact CB-OE2 3.29Å; K82-E84 WeakPolarHBondContact CB-OE2 3.47Å; K82-E84 PolarHBondContact O-N 3.34Å
85	E	90.4	Very high	83.7	Confident	73 Å²	73	64 Å²	64	34%	0.341	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-102.8	-5.7	-177.4	-57.4	179.2	135.9	0	0	112.1	K82 I83 R87 P105 H107	K82-E85 HydrophobicContact CB-CG 4.49Å; K82-E85 PolarHBondContact O-N 2.95Å; I83-E85 PolarHBondContact O-N 3.43Å; E85-R87 PolarHBondContact O-N 3.44Å; E85-P105 HydrophobicContact CB-CG 4.01Å; E85-H107 IonicContact OE1-CE1 3.39Å; E85-H107 PolarHBondContact OE1-CE1 3.4Å; E85-H107 IonicContact OE2-CE1 2.87Å
86	F	91.9	Very high	82.1	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.066	34%	0.341	C	S	.	.			trans	-68.6	122.1	-176.5	-175.7	-108	0	0	0	110.8	L63 A66 R67 C70 W78 V81 K82 I83 I88 V102	L63-F86 HydrophobicContact CD2-CD1 4.03Å; A66-F86 HydrophobicContact CB-CE1 3.63Å; A66-F86 HydrophobicContact CB-CZ 3.72Å; R67-F86 HydrophobicContact CB-CD1 4.31Å; R67-F86 HydrophobicContact CB-CD2 3.89Å; R67-F86 HydrophobicContact CB-CE1 4.43Å; R67-F86 HydrophobicContact CB-CE2 4.03Å; R67-F86 HydrophobicContact CB-CG 4.04Å; R67-F86 HydrophobicContact CB-CZ 4.29Å; R67-F86 HydrophobicContact CG-CD2 3.9Å; R67-F86 HydrophobicContact CG-CE2 4.34Å; R67-F86 HydrophobicContact CG-CG 4.26Å; C70-F86 HydrophobicContact CB-CE2 4.47Å; W78-F86 HydrophobicContact CZ3-CE2 4.1Å; V81-F86 HydrophobicContact CG1-CB 4.18Å; V81-F86 HydrophobicContact CG1-CD2 4Å; K82-F86 PolarHBondContact O-N 3.2Å; K82-F86 VanDerWaalsContact O-N 3.12Å; I83-F86 PolarHBondContact O-N 3.21Å; F86-I88 HydrophobicContact CD1-CB 4.35Å; F86-I88 HydrophobicContact CD1-CG2 4.05Å; F86-I88 HydrophobicContact CE1-CB 3.76Å; F86-I88 HydrophobicContact CE1-CD1 4.36Å; F86-I88 HydrophobicContact CE1-CG2 3.81Å; F86-I88 HydrophobicContact CZ-CB 4.42Å; F86-V102 HydrophobicContact CE1-CG1 4.46Å; F86-V102 HydrophobicContact CE2-CG1 4.39Å; F86-V102 HydrophobicContact CZ-CB 4.28Å; F86-V102 HydrophobicContact CZ-CG1 3.68Å
87	R	92.5	Very high	81.2	Confident	127 Å²	127	65.7 Å²	65.7	48%	0.479	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.4	-178.5	-61.5	176.3	-176.9	-176.7	-3.2	109.6	E85 V102 E103	E85-R87 PolarHBondContact O-N 3.44Å; R87-V102 WeakPolarHBondContact O-CA 3.42Å; R87-E103 HydrophobicContact CB-CB 4.24Å; R87-E103 PolarHBondContact O-N 2.83Å; R87-E103 VanDerWaalsContact O-N 3.08Å
88	I	92.8	Very high	80.6	Confident	24 Å²	24	67.8 Å²	67.8	12%	0.123	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.4	174.1	-179	171.4	0	0	0	109.1	I58 I62 L63 A66 F86 F100 L101 V102	I58-I88 HydrophobicContact CD1-CG2 3.66Å; I58-I88 WeakPolarHBondContact CD1-O 3.4Å; I58-I88 HydrophobicContact CG2-CG2 4.48Å; I62-I88 HydrophobicContact CG2-CD1 4.44Å; L63-I88 HydrophobicContact CD2-CG2 3.34Å; A66-I88 HydrophobicContact CB-CD1 3.73Å; F86-I88 HydrophobicContact CD1-CB 4.35Å; F86-I88 HydrophobicContact CD1-CG2 4.05Å; F86-I88 HydrophobicContact CE1-CB 3.76Å; F86-I88 HydrophobicContact CE1-CD1 4.36Å; F86-I88 HydrophobicContact CE1-CG2 3.81Å; F86-I88 HydrophobicContact CZ-CB 4.42Å; I88-F100 HydrophobicContact CD1-CB 3.75Å; I88-F100 HydrophobicContact CD1-CD1 3.85Å; I88-F100 HydrophobicContact CD1-CG 3.92Å; I88-F100 HydrophobicContact CG1-CB 3.8Å; I88-F100 HydrophobicContact CG1-CD1 4.04Å; I88-F100 HydrophobicContact CG1-CG 4.27Å; I88-L101 CarbonylContact C-O 3.44Å; I88-L101 VanDerWaalsContact CA-O 3.27Å; I88-L101 WeakPolarHBondContact CA-O 3.13Å; I88-V102 HydrophobicContact CB-CG1 4.29Å; I88-V102 HydrophobicContact CD1-CG1 4.26Å; I88-V102 HydrophobicContact CG1-CG1 4.14Å
89	R	90.8	Very high	80.3	Confident	114 Å²	114	68.6 Å²	68.6	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.9	173.3	63.7	-176	-162.5	-164.1	7.1	109	F100 L101 E103	R89-F100 CarbonylContact O-C 3.52Å; R89-F100 VanDerWaalsContact O-CA 3.25Å; R89-F100 WeakPolarHBondContact O-CA 3.24Å; R89-L101 HydrophobicContact CG-CB 3.72Å; R89-L101 HydrophobicContact CG-CD2 4.39Å; R89-L101 PolarHBondContact N-O 2.75Å; R89-L101 PolarHBondContact O-N 2.89Å; R89-E103 IonicContact CZ-OE1 3.52Å; R89-E103 IonicContact NE-OE1 2.72Å; R89-E103 IonicContact NH1-OE1 3.95Å; R89-E103 PolarHBondContact NH1-OE1 3.34Å
90	A	86.8	Confident	80.3	Confident	39 Å²	39	62 Å²	62	32%	0.322	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.6	169.7	0	0	0	0	0	109.8	F52 L99 F100	F52-A90 HydrophobicContact CD1-CB 4.11Å; F52-A90 HydrophobicContact CE1-CB 3.21Å; F52-A90 HydrophobicContact CE2-CB 4.07Å; F52-A90 HydrophobicContact CZ-CB 3.19Å; A90-L99 WeakPolarHBondContact CA-O 3.28Å; A90-F100 HydrophobicContact CB-CD1 3.99Å; A90-F100 HydrophobicContact CB-CE1 3.98Å
91	I	82.6	Confident	80.6	Confident	52 Å²	52	55.7 Å²	55.7	27%	0.267	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.2	169.3	-61.6	-151.6	0	0	0	107.3	G93 L99 L101 L119 F162	I91-G93 PolarHBondContact O-N 2.67Å; I91-L99 HydrophobicContact CB-CB 4.21Å; I91-L99 PolarHBondContact N-O 3.22Å; I91-L101 HydrophobicContact CD1-CB 3.9Å; I91-L101 HydrophobicContact CG1-CB 4.07Å; I91-L119 HydrophobicContact CD1-CD2 3.62Å; I91-L119 HydrophobicContact CG1-CD2 4.34Å; I91-F162 HydrophobicContact CD1-CE2 4.24Å
92	T	66.5	Low	80.8	Confident	146 Å²	146	55.7 Å²	55.7	90%	0.896	30%	0.3	S	S	*	.			trans	-74.9	111.8	168.9	46.5	0	0	0	0	108.4
93	G	54.1	Low	81.2	Confident	41 Å²	41	52.4 Å²	52.4	42%	0.423	29%	0.286	S	S	.	.			trans	176.5	114.9	177.8	0	0	0	0	0	110.9	I91 L99	I91-G93 PolarHBondContact O-N 2.67Å; G93-L99 WeakPolarHBondContact O-CD1 3.2Å
94	G	53	Low	81.5	Confident	50 Å²	50	51.5 Å²	51.5	52%	0.515	28%	0.281	S	S	.	.			trans	101	136.6	179.1	0	0	0	0	0	114.1
95	M	48.4	Very low	81.8	Confident	102 Å²	102	45.3 Å²	45.3	50%	0.502	25%	0.253	S	S	.	.	S	Bend	trans	-84.3	-23.3	179.9	-46.8	-166.8	-118.8	0	0	112.2	W412 I422 Y426	M95-W412 HydrophobicContact CE-CH2 3.76Å; M95-W412 HydrophobicContact CE-CZ2 3.42Å; M95-W412 VanDerWaalsContact CE-CZ2 3.42Å; M95-W412 HydrophobicContact SD-CZ2 4.19Å; M95-I422 HydrophobicContact CB-CD1 3.42Å; M95-I422 VanDerWaalsContact CB-CD1 3.42Å; M95-I422 HydrophobicContact CG-CD1 3.12Å; M95-I422 HydrophobicContact SD-CD1 3.36Å; M95-I422 WeakPolarHBondContact SD-CD1 3.38Å; M95-Y426 PolarHBondContact SD-OH 3.33Å
96	S	57.7	Low	81.8	Confident	44 Å²	44	46 Å²	46	31%	0.308	27%	0.271	S	S	.	.	S	Bend	trans	-102.7	-16.1	-167.7	-53.7	0	0	0	0	114.7	C124 E312	S96-C124 VanDerWaalsContact O-CB 3.3Å; S96-C124 WeakPolarHBondContact O-CB 3.43Å; S96-E312 WeakPolarHBondContact CB-OE1 3.4Å; S96-E312 PolarHBondContact OG-OE1 3.32Å; S96-E312 PolarHBondContact OG-OE2 3.27Å
97	N	71.9	Confident	81.8	Confident	13 Å²	13	51 Å²	51	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154.5	-169.2	-68.4	-56.6	0	0	0	112.6	R121 H123	N97-R121 HydrophobicContact CB-CG 4.05Å; N97-H123 WeakPolarHBondContact OD1-CA 3.28Å
98	L	81.9	Confident	81.7	Confident	45 Å²	45	46.6 Å²	46.6	24%	0.236	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127	173.3	-60.4	169.8	0	0	0	110.3	F49 F100 V122	F49-L98 VanDerWaalsContact C-CD1 3.41Å; F49-L98 HydrophobicContact CB-CD1 3.78Å; F49-L98 WeakPolarHBondContact O-CD1 3.49Å; L98-F100 HydrophobicContact CB-CE2 3.72Å; L98-F100 HydrophobicContact CB-CZ 4.36Å; L98-V122 HydrophobicContact CB-CB 4.32Å; L98-V122 PolarHBondContact N-O 2.99Å; L98-V122 VanDerWaalsContact N-O 3.12Å; L98-V122 PolarHBondContact O-N 3.11Å
99	L	88	Confident	81.6	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.094	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.9	-179.2	-70.5	-179.4	0	0	0	111.9	A90 I91 G93 R121	A90-L99 WeakPolarHBondContact CA-O 3.28Å; I91-L99 HydrophobicContact CB-CB 4.21Å; I91-L99 PolarHBondContact N-O 3.22Å; G93-L99 WeakPolarHBondContact O-CD1 3.2Å; L99-R121 HydrophobicContact CD2-CB 3.67Å; L99-R121 HydrophobicContact CD2-CG 3.73Å
100	F	91.4	Very high	81.7	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.8	174.4	-56.7	-93.4	0	0	0	110.1	F49 F52 I88 R89 A90 L98 L119 L120	F49-F100 HydrophobicContact CB-CE2 4.47Å; F49-F100 HydrophobicContact CD1-CD2 4Å; F49-F100 AromaticContact CD1-CE2 3.43Å; F49-F100 HydrophobicContact CD1-CE2 3.43Å; F49-F100 VanDerWaalsContact CD1-CE2 3.43Å; F49-F100 AromaticContact CD1-CZ 3.82Å; F49-F100 HydrophobicContact CD1-CZ 3.82Å; F49-F100 HydrophobicContact CE1-CD2 4.24Å; F49-F100 HydrophobicContact CE1-CE2 4.11Å; F49-F100 HydrophobicContact CG-CE2 4.41Å; F52-F100 HydrophobicContact CB-CE1 4.3Å; F52-F100 HydrophobicContact CB-CZ 4.05Å; F52-F100 HydrophobicContact CD1-CE1 4.08Å; F52-F100 HydrophobicContact CD1-CZ 4.26Å; F52-F100 AromaticContact CD2-CE1 3.84Å; F52-F100 HydrophobicContact CD2-CE1 3.84Å; F52-F100 HydrophobicContact CD2-CZ 4.43Å; F52-F100 HydrophobicContact CE1-CE1 4.45Å; F52-F100 HydrophobicContact CE2-CE1 4.23Å; F52-F100 AromaticContact CG-CE1 3.76Å; F52-F100 HydrophobicContact CG-CE1 3.76Å; F52-F100 AromaticContact CG-CZ 3.96Å; F52-F100 HydrophobicContact CG-CZ 3.96Å; I88-F100 HydrophobicContact CD1-CB 3.75Å; I88-F100 HydrophobicContact CD1-CD1 3.85Å; I88-F100 HydrophobicContact CD1-CG 3.92Å; I88-F100 HydrophobicContact CG1-CB 3.8Å; I88-F100 HydrophobicContact CG1-CD1 4.04Å; I88-F100 HydrophobicContact CG1-CG 4.27Å; R89-F100 CarbonylContact O-C 3.52Å; R89-F100 VanDerWaalsContact O-CA 3.25Å; R89-F100 WeakPolarHBondContact O-CA 3.24Å; A90-F100 HydrophobicContact CB-CD1 3.99Å; A90-F100 HydrophobicContact CB-CE1 3.98Å; L98-F100 HydrophobicContact CB-CE2 3.72Å; L98-F100 HydrophobicContact CB-CZ 4.36Å; F100-L119 CarbonylContact O-C 3.44Å; F100-L119 WeakPolarHBondContact O-CA 3.22Å; F100-L120 HydrophobicContact CB-CB 4.25Å; F100-L120 PolarHBondContact N-O 2.95Å; F100-L120 PolarHBondContact O-N 3.32Å
101	L	94.4	Very high	81.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.1	164.6	-179.2	76.7	0	0	0	109.6	I88 R89 I91 E103 K117 A118 L119 F162	I88-L101 CarbonylContact C-O 3.44Å; I88-L101 VanDerWaalsContact CA-O 3.27Å; I88-L101 WeakPolarHBondContact CA-O 3.13Å; R89-L101 HydrophobicContact CG-CB 3.72Å; R89-L101 HydrophobicContact CG-CD2 4.39Å; R89-L101 PolarHBondContact N-O 2.75Å; R89-L101 PolarHBondContact O-N 2.89Å; I91-L101 HydrophobicContact CD1-CB 3.9Å; I91-L101 HydrophobicContact CG1-CB 4.07Å; L101-E103 HydrophobicContact CD2-CG 3.68Å; L101-E103 WeakPolarHBondContact CD2-OE1 3.48Å; L101-E103 HydrophobicContact CG-CG 3.9Å; L101-K117 HydrophobicContact CD1-CB 4.27Å; L101-A118 WeakPolarHBondContact CD1-O 3.33Å; L101-L119 HydrophobicContact CB-CD2 4.11Å; L101-L119 HydrophobicContact CD1-CD2 3.88Å; L101-L119 HydrophobicContact CD1-CG 4.41Å; L101-F162 HydrophobicContact CD1-CB 3.57Å; L101-F162 HydrophobicContact CD1-CD1 3.92Å; L101-F162 HydrophobicContact CD1-CD2 3.53Å; L101-F162 HydrophobicContact CD1-CE2 4.17Å; L101-F162 HydrophobicContact CD1-CG 3.36Å; L101-F162 HydrophobicContact CD2-CD1 4.41Å; L101-F162 HydrophobicContact CD2-CE1 4.31Å; L101-F162 HydrophobicContact CD2-CE2 4.41Å; L101-F162 HydrophobicContact CD2-CZ 4.31Å
102	V	96.1	Very high	82.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.7	168.5	-63.8	0	0	0	0	109.7	W78 F86 R87 I88 K117 A118 F159	W78-V102 HydrophobicContact CH2-CB 3.89Å; W78-V102 HydrophobicContact CH2-CG2 3.73Å; W78-V102 HydrophobicContact CZ2-CG2 4.39Å; W78-V102 HydrophobicContact CZ3-CB 4.08Å; W78-V102 HydrophobicContact CZ3-CG2 4.17Å; F86-V102 HydrophobicContact CE1-CG1 4.46Å; F86-V102 HydrophobicContact CE2-CG1 4.39Å; F86-V102 HydrophobicContact CZ-CB 4.28Å; F86-V102 HydrophobicContact CZ-CG1 3.68Å; R87-V102 WeakPolarHBondContact O-CA 3.42Å; I88-V102 HydrophobicContact CB-CG1 4.29Å; I88-V102 HydrophobicContact CD1-CG1 4.26Å; I88-V102 HydrophobicContact CG1-CG1 4.14Å; V102-K117 WeakPolarHBondContact O-CA 3.36Å; V102-A118 HydrophobicContact CG2-CB 3.93Å; V102-A118 WeakPolarHBondContact CG2-O 3.44Å; V102-A118 PolarHBondContact N-O 3.27Å; V102-A118 PolarHBondContact O-N 3.3Å; V102-F159 HydrophobicContact CG2-CE1 4.07Å
103	E	96.6	Very high	83.1	Confident	33 Å²	33	56.1 Å²	56.1	15%	0.154	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.4	-178.2	-55.7	-174.9	-118	0	0	111.1	R87 R89 L101 K117	R87-E103 HydrophobicContact CB-CB 4.24Å; R87-E103 PolarHBondContact O-N 2.83Å; R87-E103 VanDerWaalsContact O-N 3.08Å; R89-E103 IonicContact CZ-OE1 3.52Å; R89-E103 IonicContact NE-OE1 2.72Å; R89-E103 IonicContact NH1-OE1 3.95Å; R89-E103 PolarHBondContact NH1-OE1 3.34Å; L101-E103 HydrophobicContact CD2-CG 3.68Å; L101-E103 WeakPolarHBondContact CD2-OE1 3.48Å; L101-E103 HydrophobicContact CG-CG 3.9Å; E103-K117 HydrophobicContact CB-CG 4.33Å; E103-K117 HydrophobicContact CG-CB 4.48Å; E103-K117 HydrophobicContact CG-CD 4.01Å; E103-K117 HydrophobicContact CG-CG 3.97Å; E103-K117 WeakPolarHBondContact OE2-CD 3.37Å; E103-K117 WeakPolarHBondContact OE2-CE 3.4Å; E103-K117 IonicContact OE2-NZ 2.72Å; E103-K117 PolarHBondContact OE2-NZ 2.88Å
104	L	95	Very high	85	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.063	31%	0.309	C	S	.	.			trans	-61.8	144	170.6	-76.5	-178.2	0	0	0	110.5	A77 W78 V81 P110 E116	A77-L104 HydrophobicContact CB-CD1 3.86Å; A77-L104 HydrophobicContact CB-CD2 4.21Å; W78-L104 HydrophobicContact CD2-CD2 3.45Å; W78-L104 VanDerWaalsContact CD2-CD2 3.45Å; W78-L104 HydrophobicContact CD2-CG 4.13Å; W78-L104 HydrophobicContact CE3-CD2 3.73Å; W78-L104 HydrophobicContact CG-CD2 3.86Å; W78-L104 HydrophobicContact CH2-CD2 4.25Å; W78-L104 HydrophobicContact CH2-CG 4.21Å; W78-L104 HydrophobicContact CZ2-CD2 3.99Å; W78-L104 HydrophobicContact CZ2-CG 3.75Å; W78-L104 HydrophobicContact CZ3-CD2 4.12Å; V81-L104 HydrophobicContact CG2-CD2 3.67Å; L104-P110 HydrophobicContact CD1-CG 4.31Å; L104-E116 PolarHBondContact N-O 3.08Å
105	P	94.1	Very high	87	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.019	29%	0.293	C	S	.	.			trans	-56.8	140.6	167.1	-22.2	32.3	0	0	0	111.1	V81 E85 H107 L108	V81-P105 HydrophobicContact CG1-CG 4Å; V81-P105 HydrophobicContact CG2-CG 4.33Å; E85-P105 HydrophobicContact CB-CG 4.01Å; P105-H107 PolarHBondContact O-N 2.78Å; P105-L108 HydrophobicContact CG-CD1 4.13Å; P105-L108 PolarHBondContact O-N 3.23Å
106	A	91.4	Very high	89.2	Confident	88 Å²	88	54.4 Å²	54.4	73%	0.727	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.8	-173.4	0	0	0	0	0	115.4
107	H	91.4	Very high	91	Very high	120 Å²	120	56.2 Å²	56.2	56%	0.556	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.4	177.8	72.2	-94.3	0	0	0	113.2	E85 P105	E85-H107 IonicContact OE1-CE1 3.39Å; E85-H107 PolarHBondContact OE1-CE1 3.4Å; E85-H107 IonicContact OE2-CE1 2.87Å; P105-H107 PolarHBondContact O-N 2.78Å
108	L	90.7	Very high	92.2	Very high	34 Å²	34	55.6 Å²	55.6	18%	0.178	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-103.2	123.2	176.1	-65.3	-179	0	0	0	109.3	K80 V81 P105	K80-L108 HydrophobicContact CB-CD1 4.41Å; V81-L108 HydrophobicContact CG2-CD1 3.82Å; P105-L108 HydrophobicContact CG-CD1 4.13Å; P105-L108 PolarHBondContact O-N 3.23Å
109	T	91	Very high	92.8	Very high	98 Å²	98	54.6 Å²	54.6	60%	0.601	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-101.5	150.7	172	57.9	0	0	0	0	110	A77 I111	A77-T109 WeakPolarHBondContact CB-O 3.31Å; T109-I111 PolarHBondContact O-N 3.35Å
110	P	93.3	Very high	93.1	Very high	41 Å²	41	53.8 Å²	53.8	27%	0.266	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-52.1	139.9	169.4	-26.5	35.8	0	0	0	111.8	L104 E114 E116	L104-P110 HydrophobicContact CD1-CG 4.31Å; P110-E114 WeakPolarHBondContact CA-OE1 3.31Å; P110-E114 HydrophobicContact CB-CG 4.28Å; P110-E114 WeakPolarHBondContact CB-O 3.37Å; P110-E116 HydrophobicContact CG-CG 3.43Å; P110-E116 VanDerWaalsContact CG-CG 3.43Å
111	I	89.9	Confident	93	Very high	94 Å²	94	54.8 Å²	54.8	48%	0.482	29%	0.288	S	S	.	.	S	Bend	trans	-101.5	-31.4	-178.8	-55.6	170.8	0	0	0	110.2	A77 K80 T109 E114	A77-I111 HydrophobicContact CB-CD1 4.29Å; A77-I111 HydrophobicContact CB-CG1 4.23Å; K80-I111 HydrophobicContact CD-CD1 4.19Å; K80-I111 VanDerWaalsContact NZ-CD1 3.32Å; T109-I111 PolarHBondContact O-N 3.35Å; I111-E114 PolarHBondContact N-OE1 2.85Å
112	Q	88.4	Confident	92.7	Very high	154 Å²	154	54.8 Å²	54.8	72%	0.72	29%	0.288	S	S	*	.	S	Bend	trans	-128.1	-134.6	179.2	-56.1	-178.2	-17.3	0	0	109.5	E114	Q112-E114 WeakPolarHBondContact CA-OE2 3.49Å; Q112-E114 VanDerWaalsContact CB-OE2 3.25Å; Q112-E114 WeakPolarHBondContact CB-OE2 3.34Å; Q112-E114 PolarHBondContact N-OE2 3.27Å
113	M	87.3	Confident	92.1	Very high	187 Å²	187	55.6 Å²	55.6	92%	0.921	29%	0.292	S	S	*	.	S	Bend	trans	-91.9	4.9	-179.9	-63.7	-65.5	-65.2	0	0	112.8
114	E	92.5	Very high	91	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.065	30%	0.295	C	S	.	.			trans	-66.8	146.3	178.9	76.1	-81.2	-159.9	0	0	111.4	L74 G76 A77 P110 I111 Q112	L74-E114 WeakPolarHBondContact O-CB 3.46Å; G76-E114 WeakPolarHBondContact CA-OE1 3.33Å; A77-E114 WeakPolarHBondContact CB-OE1 3.47Å; A77-E114 PolarHBondContact N-OE1 3.21Å; P110-E114 WeakPolarHBondContact CA-OE1 3.31Å; P110-E114 HydrophobicContact CB-CG 4.28Å; P110-E114 WeakPolarHBondContact CB-O 3.37Å; I111-E114 PolarHBondContact N-OE1 2.85Å; Q112-E114 WeakPolarHBondContact CA-OE2 3.49Å; Q112-E114 VanDerWaalsContact CB-OE2 3.25Å; Q112-E114 WeakPolarHBondContact CB-OE2 3.34Å; Q112-E114 PolarHBondContact N-OE2 3.27Å
115	P	94.6	Very high	89.9	Confident	30 Å²	30	57.1 Å²	57.1	20%	0.195	30%	0.302	C	S	.	.			trans	-79.9	156	-179.4	36.3	-40.4	0	0	0	111.7	L74 W78 K117 A118 L151	L74-P115 HydrophobicContact CD1-CG 4.5Å; L74-P115 HydrophobicContact CD2-CG 4.39Å; W78-P115 PolarHBondContact NE1-O 3.13Å; P115-K117 VanDerWaalsContact C-N 3.32Å; P115-K117 WeakPolarHBondContact CB-O 3.03Å; P115-A118 HydrophobicContact CG-CB 4.17Å; P115-L151 HydrophobicContact CB-CD1 4.38Å; P115-L151 HydrophobicContact CG-CD1 3.72Å
116	E	95.6	Very high	88.7	Confident	113 Å²	113	62.1 Å²	62.1	53%	0.528	34%	0.337	S	S	.	.	S	Bend	trans	-71.2	-29.5	167.1	-66.2	-175	171.4	0	0	112.7	L104 P110	L104-E116 PolarHBondContact N-O 3.08Å; P110-E116 HydrophobicContact CG-CG 3.43Å; P110-E116 VanDerWaalsContact CG-CG 3.43Å
117	K	96.2	Very high	88.3	Confident	82 Å²	82	61.8 Å²	61.8	36%	0.357	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139	-176.8	-54.7	-169.5	-171.3	-158.1	0	110.4	L101 V102 E103 P115 F162	L101-K117 HydrophobicContact CD1-CB 4.27Å; V102-K117 WeakPolarHBondContact O-CA 3.36Å; E103-K117 HydrophobicContact CB-CG 4.33Å; E103-K117 HydrophobicContact CG-CB 4.48Å; E103-K117 HydrophobicContact CG-CD 4.01Å; E103-K117 HydrophobicContact CG-CG 3.97Å; E103-K117 WeakPolarHBondContact OE2-CD 3.37Å; E103-K117 WeakPolarHBondContact OE2-CE 3.4Å; E103-K117 IonicContact OE2-NZ 2.72Å; E103-K117 PolarHBondContact OE2-NZ 2.88Å; P115-K117 VanDerWaalsContact C-N 3.32Å; P115-K117 WeakPolarHBondContact CB-O 3.03Å; K117-F162 HydrophobicContact CB-CB 4.2Å; K117-F162 HydrophobicContact CB-CD1 4.15Å; K117-F162 HydrophobicContact CD-CD1 4.02Å; K117-F162 HydrophobicContact CD-CE1 4.33Å
118	A	96.5	Very high	87.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.4	177.5	0	0	0	0	0	111.3	L74 L101 V102 P115 L151 F159	L74-A118 HydrophobicContact CD1-CB 3.87Å; L74-A118 HydrophobicContact CD2-CB 4.5Å; L101-A118 WeakPolarHBondContact CD1-O 3.33Å; V102-A118 HydrophobicContact CG2-CB 3.93Å; V102-A118 WeakPolarHBondContact CG2-O 3.44Å; V102-A118 PolarHBondContact N-O 3.27Å; V102-A118 PolarHBondContact O-N 3.3Å; P115-A118 HydrophobicContact CG-CB 4.17Å; A118-L151 HydrophobicContact CB-CD1 3.76Å; A118-F159 HydrophobicContact CB-CD1 4.04Å
119	L	94.9	Very high	87.4	Confident	25 Å²	25	65.8 Å²	65.8	13%	0.131	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.4	169.6	-69	173.7	0	0	0	109.3	I91 F100 L101 F159 E160 F162	I91-L119 HydrophobicContact CD1-CD2 3.62Å; I91-L119 HydrophobicContact CG1-CD2 4.34Å; F100-L119 CarbonylContact O-C 3.44Å; F100-L119 WeakPolarHBondContact O-CA 3.22Å; L101-L119 HydrophobicContact CB-CD2 4.11Å; L101-L119 HydrophobicContact CD1-CD2 3.88Å; L101-L119 HydrophobicContact CD1-CG 4.41Å; L119-F159 CarbonylContact O-C 3.55Å; L119-F159 VanDerWaalsContact O-CA 3.27Å; L119-F159 WeakPolarHBondContact O-CA 3.42Å; L119-E160 HydrophobicContact CB-CB 4.18Å; L119-E160 PolarHBondContact N-O 3.01Å; L119-E160 PolarHBondContact O-N 3.05Å; L119-F162 HydrophobicContact CD1-CD2 4.19Å; L119-F162 HydrophobicContact CD2-CD2 3.85Å; L119-F162 HydrophobicContact CG-CB 4.14Å; L119-F162 HydrophobicContact CG-CD2 3.95Å
120	L	93.9	Very high	86.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.9	167.7	172.4	61.8	0	0	0	108.6	F49 A66 L69 F100 V122 F154 F159	F49-L120 HydrophobicContact CE1-CD2 3.77Å; F49-L120 HydrophobicContact CZ-CD2 4.04Å; A66-L120 HydrophobicContact CB-CD2 4.02Å; L69-L120 HydrophobicContact CD1-CD1 4.19Å; F100-L120 HydrophobicContact CB-CB 4.25Å; F100-L120 PolarHBondContact N-O 2.95Å; F100-L120 PolarHBondContact O-N 3.32Å; L120-V122 HydrophobicContact CD1-CG2 4.43Å; L120-V122 HydrophobicContact CG-CG2 4.22Å; L120-F154 HydrophobicContact CD1-CE1 4.01Å; L120-F154 HydrophobicContact CD1-CE2 4.45Å; L120-F154 HydrophobicContact CD1-CZ 3.43Å; L120-F154 VanDerWaalsContact CD1-CZ 3.43Å; L120-F159 HydrophobicContact CB-CD1 4.14Å; L120-F159 HydrophobicContact CB-CE1 3.78Å; L120-F159 HydrophobicContact CD1-CD1 4.33Å; L120-F159 HydrophobicContact CD1-CE1 3.85Å; L120-F159 HydrophobicContact CD1-CE2 4.44Å; L120-F159 HydrophobicContact CD1-CZ 3.91Å; L120-F159 HydrophobicContact CG-CE1 4.32Å
121	R	90.1	Very high	86.3	Confident	22 Å²	22	64.4 Å²	64.4	8%	0.083	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124	170.4	-173.7	179.4	-59.9	-97.3	-2	110	N97 L99 G157 R158 E160	N97-R121 HydrophobicContact CB-CG 4.05Å; L99-R121 HydrophobicContact CD2-CB 3.67Å; L99-R121 HydrophobicContact CD2-CG 3.73Å; R121-G157 CarbonylContact O-C 3.51Å; R121-G157 WeakPolarHBondContact O-CA 3.49Å; R121-R158 HydrophobicContact CB-CG 4.23Å; R121-R158 PolarHBondContact N-O 3.32Å; R121-R158 VanDerWaalsContact NE-NH2 3.19Å; R121-R158 PolarHBondContact O-N 3.48Å; R121-E160 IonicContact CZ-OE1 2.8Å; R121-E160 IonicContact CZ-OE2 2.72Å; R121-E160 IonicContact NE-OE1 2.67Å; R121-E160 PolarHBondContact NE-OE1 2.72Å; R121-E160 IonicContact NE-OE2 2.76Å; R121-E160 IonicContact NH2-OE1 3.79Å; R121-E160 PolarHBondContact NH2-OE1 2.79Å; R121-E160 IonicContact NH2-OE2 2.68Å; R121-E160 PolarHBondContact NH2-OE2 3.33Å; R121-E160 VanDerWaalsContact NH2-OE2 3.14Å
122	V	87.1	Confident	86.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.3	173.4	-176.2	0	0	0	0	108.8	L45 F49 L98 L120	L45-V122 HydrophobicContact CB-CG1 4.37Å; F49-V122 HydrophobicContact CB-CG1 4.23Å; F49-V122 HydrophobicContact CB-CG2 4.36Å; F49-V122 HydrophobicContact CD1-CG2 3.87Å; F49-V122 HydrophobicContact CD2-CG2 4.35Å; F49-V122 HydrophobicContact CE1-CG2 4.18Å; F49-V122 HydrophobicContact CG-CG1 4.45Å; F49-V122 HydrophobicContact CG-CG2 3.93Å; L98-V122 HydrophobicContact CB-CB 4.32Å; L98-V122 PolarHBondContact N-O 2.99Å; L98-V122 VanDerWaalsContact N-O 3.12Å; L98-V122 PolarHBondContact O-N 3.11Å; L120-V122 HydrophobicContact CD1-CG2 4.43Å; L120-V122 HydrophobicContact CG-CG2 4.22Å
123	H	82.8	Confident	86	Confident	17 Å²	17	59.9 Å²	59.9	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.4	-178.2	-67.5	137.5	0	0	0	111.4	N97 L131 E134 G156 R158	N97-H123 WeakPolarHBondContact OD1-CA 3.28Å; H123-L131 HydrophobicContact CB-CD2 3.84Å; H123-L131 VanDerWaalsContact CG-CD2 3.48Å; H123-E134 IonicContact NE2-OE1 3.63Å; H123-E134 IonicContact NE2-OE2 2.58Å; H123-G156 PolarHBondContact N-O 3.31Å; H123-R158 PolarHBondContact NE2-NH1 2.79Å
124	C	73.6	Confident	86	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.216	28%	0.275	C	S	.	.			trans	-100.7	-13.8	174.6	-61	0	0	0	0	113.2	K46 S96	K46-C124 WeakPolarHBondContact CE-O 3.45Å; K46-C124 PolarHBondContact NZ-O 3.05Å; S96-C124 VanDerWaalsContact O-CB 3.3Å; S96-C124 WeakPolarHBondContact O-CB 3.43Å
125	Q	72	Confident	85.8	Confident	45 Å²	45	52.2 Å²	52.2	21%	0.21	28%	0.281	C	S	.	.			trans	-79.7	152.7	174.5	63.1	176.7	-15.3	0	0	112.3	L131 E134	Q125-L131 HydrophobicContact CG-CD1 4.43Å; Q125-L131 HydrophobicContact CG-CD2 3.65Å; Q125-L131 HydrophobicContact CG-CG 3.9Å; Q125-E134 PolarHBondContact NE2-OE2 3.09Å; Q125-E134 VanDerWaalsContact NE2-OE2 3.14Å
126	S	70.6	Confident	85.7	Confident	109 Å²	109	53.5 Å²	53.5	76%	0.762	29%	0.288	S	S	*	.			trans	-112.7	2.1	178.3	57.3	0	0	0	0	113.5	I128	S126-I128 PolarHBondContact O-N 3.39Å
127	D	81.2	Confident	85.6	Confident	80 Å²	80	48.2 Å²	48.2	43%	0.428	26%	0.264	S	S	.	.			trans	-74.7	111.2	176.3	-169.6	-39	0	0	0	109.6	D129 Q130 L131	D127-D129 PolarHBondContact OD1-N 3.41Å; D127-Q130 HydrophobicContact CB-CB 3.96Å; D127-Q130 PolarHBondContact OD1-N 3.31Å; D127-Q130 VanDerWaalsContact OD1-N 3.11Å; D127-L131 WeakPolarHBondContact O-CB 3.31Å; D127-L131 WeakPolarHBondContact O-CD1 3.38Å; D127-L131 WeakPolarHBondContact O-CG 3.27Å; D127-L131 PolarHBondContact O-N 3.49Å; D127-L131 VanDerWaalsContact O-N 3.07Å
128	I	81.8	Confident	85.4	Confident	117 Å²	117	44.6 Å²	44.6	60%	0.6	25%	0.248	S	C	*	.	H	α-helix	trans	-69	-38.3	-175.9	-64	173.7	0	0	0	111	S126 L131 L132	S126-I128 PolarHBondContact O-N 3.39Å; I128-L131 PolarHBondContact O-N 3.28Å; I128-L132 HydrophobicContact CG2-CD1 3.88Å; I128-L132 HydrophobicContact CG2-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CB 3.42Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.26Å; I128-L132 PolarHBondContact O-N 2.99Å
129	D	81.3	Confident	85.2	Confident	121 Å²	121	47.2 Å²	47.2	65%	0.647	26%	0.264	S	S	*	.	H	α-helix	trans	-69.8	-39.1	-176.8	-69.2	-26.4	0	0	0	110.5	D127 S133	D127-D129 PolarHBondContact OD1-N 3.41Å; D129-S133 WeakPolarHBondContact O-CB 3.36Å; D129-S133 PolarHBondContact O-N 3.35Å; D129-S133 PolarHBondContact O-OG 3.1Å
130	Q	80.3	Confident	85.1	Confident	77 Å²	77	47.5 Å²	47.5	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-45.8	173.6	-168.9	171.5	-6	0	0	111.5	D127 L132 S133 E134	D127-Q130 HydrophobicContact CB-CB 3.96Å; D127-Q130 PolarHBondContact OD1-N 3.31Å; D127-Q130 VanDerWaalsContact OD1-N 3.11Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 2.73Å; Q130-S133 PolarHBondContact O-N 3.49Å; Q130-E134 WeakPolarHBondContact O-CB 3.39Å; Q130-E134 PolarHBondContact O-N 3.09Å
131	L	82.7	Confident	85.1	Confident	34 Å²	34	47.5 Å²	47.5	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-39.2	177.8	-74.9	170.4	0	0	0	113.1	H123 Q125 D127 I128 S135	H123-L131 HydrophobicContact CB-CD2 3.84Å; H123-L131 VanDerWaalsContact CG-CD2 3.48Å; Q125-L131 HydrophobicContact CG-CD1 4.43Å; Q125-L131 HydrophobicContact CG-CD2 3.65Å; Q125-L131 HydrophobicContact CG-CG 3.9Å; D127-L131 WeakPolarHBondContact O-CB 3.31Å; D127-L131 WeakPolarHBondContact O-CD1 3.38Å; D127-L131 WeakPolarHBondContact O-CG 3.27Å; D127-L131 PolarHBondContact O-N 3.49Å; D127-L131 VanDerWaalsContact O-N 3.07Å; I128-L131 PolarHBondContact O-N 3.28Å; L131-S135 WeakPolarHBondContact O-CB 3.48Å; L131-S135 PolarHBondContact O-N 2.92Å; L131-S135 PolarHBondContact O-OG 3.39Å
132	L	85.2	Confident	85.2	Confident	104 Å²	104	46.5 Å²	46.5	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-47.3	175.5	-74.9	172.6	0	0	0	111	I128 Q130 S135 V136	I128-L132 HydrophobicContact CG2-CD1 3.88Å; I128-L132 HydrophobicContact CG2-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CB 3.42Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.26Å; I128-L132 PolarHBondContact O-N 2.99Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 2.73Å; L132-S135 PolarHBondContact O-N 3.09Å; L132-V136 WeakPolarHBondContact O-CG2 3.11Å; L132-V136 PolarHBondContact O-N 2.94Å
133	S	86.5	Confident	85.4	Confident	48 Å²	48	52.9 Å²	52.9	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-46.5	178.7	-59	0	0	0	0	111.4	D129 Q130 S135 V136 V137	D129-S133 WeakPolarHBondContact O-CB 3.36Å; D129-S133 PolarHBondContact O-N 3.35Å; D129-S133 PolarHBondContact O-OG 3.1Å; Q130-S133 PolarHBondContact O-N 3.49Å; S133-S135 VanDerWaalsContact C-N 3.32Å; S133-S135 PolarHBondContact O-N 3.1Å; S133-V136 PolarHBondContact O-N 3.47Å; S133-V137 WeakPolarHBondContact O-CB 3.44Å; S133-V137 WeakPolarHBondContact O-CG2 3.44Å; S133-V137 PolarHBondContact O-N 2.74Å
134	E	87.1	Confident	85.8	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-42.3	176.3	-169.1	-166.5	151.9	0	0	111.4	H123 Q125 Q130 V137 F138 R158	H123-E134 IonicContact NE2-OE1 3.63Å; H123-E134 IonicContact NE2-OE2 2.58Å; Q125-E134 PolarHBondContact NE2-OE2 3.09Å; Q125-E134 VanDerWaalsContact NE2-OE2 3.14Å; Q130-E134 WeakPolarHBondContact O-CB 3.39Å; Q130-E134 PolarHBondContact O-N 3.09Å; E134-V137 PolarHBondContact O-N 3.41Å; E134-F138 VanDerWaalsContact O-CB 3.31Å; E134-F138 WeakPolarHBondContact O-CB 3.41Å; E134-F138 PolarHBondContact O-N 3.2Å; E134-R158 IonicContact OE1-CZ 2.71Å; E134-R158 IonicContact OE1-NH1 3.85Å; E134-R158 PolarHBondContact OE1-NH1 3Å; E134-R158 IonicContact OE1-NH2 3.27Å; E134-R158 PolarHBondContact OE1-NH2 3.37Å
135	S	88.4	Confident	86.6	Confident	28 Å²	28	61.8 Å²	61.8	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-41	179	-61.1	0	0	0	0	112.4	L131 L132 S133 T139	L131-S135 WeakPolarHBondContact O-CB 3.48Å; L131-S135 PolarHBondContact O-N 2.92Å; L131-S135 PolarHBondContact O-OG 3.39Å; L132-S135 PolarHBondContact O-N 3.09Å; S133-S135 VanDerWaalsContact C-N 3.32Å; S133-S135 PolarHBondContact O-N 3.1Å; S135-T139 WeakPolarHBondContact O-CB 3.32Å; S135-T139 PolarHBondContact O-N 3.44Å; S135-T139 PolarHBondContact O-OG1 2.95Å
136	V	92.1	Very high	87.5	Confident	56 Å²	56	60.3 Å²	60.3	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-48.7	175.1	166.9	0	0	0	0	110.6	L132 S133 T139 L140 P195 I196	L132-V136 WeakPolarHBondContact O-CG2 3.11Å; L132-V136 PolarHBondContact O-N 2.94Å; S133-V136 PolarHBondContact O-N 3.47Å; V136-T139 PolarHBondContact O-N 3.45Å; V136-L140 WeakPolarHBondContact O-CB 3.22Å; V136-L140 PolarHBondContact O-N 3.07Å; V136-P195 HydrophobicContact CG1-CG 3.61Å; V136-I196 HydrophobicContact CG1-CG2 4.11Å
137	V	92.8	Very high	88.5	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-49.1	178.8	164.3	0	0	0	0	111.3	S133 E134 T139 L140 L141 I196 F269 F311 C314	S133-V137 WeakPolarHBondContact O-CB 3.44Å; S133-V137 WeakPolarHBondContact O-CG2 3.44Å; S133-V137 PolarHBondContact O-N 2.74Å; E134-V137 PolarHBondContact O-N 3.41Å; V137-T139 VanDerWaalsContact C-N 3.3Å; V137-T139 PolarHBondContact O-N 3.23Å; V137-L140 WeakPolarHBondContact O-CB 3.44Å; V137-L140 PolarHBondContact O-N 2.79Å; V137-L141 HydrophobicContact CG1-CD1 3.68Å; V137-L141 WeakPolarHBondContact O-CG 3.49Å; V137-L141 PolarHBondContact O-N 3.45Å; V137-I196 HydrophobicContact CG2-CD1 4.09Å; V137-I196 HydrophobicContact CG2-CG2 4.32Å; V137-F269 HydrophobicContact CB-CZ 4.42Å; V137-F269 HydrophobicContact CG1-CE2 4.47Å; V137-F269 HydrophobicContact CG1-CZ 3.72Å; V137-F269 HydrophobicContact CG2-CE2 3.87Å; V137-F269 HydrophobicContact CG2-CZ 3.92Å; V137-F311 HydrophobicContact CG1-CB 3.81Å; V137-F311 HydrophobicContact CG1-CG 4.45Å; V137-C314 HydrophobicContact CG1-CB 3.77Å; V137-C314 HydrophobicContact CG2-CB 4.41Å
138	F	92.6	Very high	89.1	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-42.1	-179.5	-165.5	-72.3	0	0	0	111.2	E134 L140 L141 S142 P148 M150 E160 F311	E134-F138 VanDerWaalsContact O-CB 3.31Å; E134-F138 WeakPolarHBondContact O-CB 3.41Å; E134-F138 PolarHBondContact O-N 3.2Å; F138-L140 PolarHBondContact O-N 2.94Å; F138-L141 PolarHBondContact O-N 3.07Å; F138-S142 VanDerWaalsContact O-CB 3.29Å; F138-S142 WeakPolarHBondContact O-CB 3.26Å; F138-S142 PolarHBondContact O-N 2.98Å; F138-P148 WeakPolarHBondContact CE1-O 3.23Å; F138-P148 HydrophobicContact CZ-CB 4.25Å; F138-M150 HydrophobicContact CB-CE 3.79Å; F138-M150 HydrophobicContact CD1-CB 3.91Å; F138-M150 HydrophobicContact CD1-CE 3.42Å; F138-M150 VanDerWaalsContact CD1-CE 3.42Å; F138-M150 HydrophobicContact CD1-CG 4.33Å; F138-M150 HydrophobicContact CE1-CB 3.87Å; F138-M150 HydrophobicContact CE1-CE 4.38Å; F138-M150 HydrophobicContact CE1-CG 4.47Å; F138-M150 HydrophobicContact CG-CE 3.94Å; F138-E160 HydrophobicContact CE1-CG 4.22Å; F138-E160 HydrophobicContact CE2-CG 3.93Å; F138-E160 WeakPolarHBondContact CE2-OE1 3.45Å; F138-E160 HydrophobicContact CZ-CB 3.88Å; F138-E160 HydrophobicContact CZ-CG 3.47Å; F138-E160 VanDerWaalsContact CZ-CG 3.47Å; F138-F311 AromaticContact CD2-CD2 3.84Å; F138-F311 HydrophobicContact CD2-CD2 3.84Å; F138-F311 HydrophobicContact CD2-CE2 4.32Å; F138-F311 HydrophobicContact CE2-CD2 4.29Å; F138-F311 HydrophobicContact CE2-CE2 4.4Å; F138-F311 HydrophobicContact CG-CD2 4.48Å
139	T	92.6	Very high	89.7	Confident	56 Å²	56	49.6 Å²	49.6	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-46.9	178	-53.9	0	0	0	0	110.5	S135 V136 V137 L141 S142 E143 M150	S135-T139 WeakPolarHBondContact O-CB 3.32Å; S135-T139 PolarHBondContact O-N 3.44Å; S135-T139 PolarHBondContact O-OG1 2.95Å; V136-T139 PolarHBondContact O-N 3.45Å; V137-T139 VanDerWaalsContact C-N 3.3Å; V137-T139 PolarHBondContact O-N 3.23Å; T139-L141 PolarHBondContact O-N 3Å; T139-S142 WeakPolarHBondContact O-CB 3.44Å; T139-S142 PolarHBondContact O-N 3.41Å; T139-E143 WeakPolarHBondContact O-CG 3.34Å; T139-E143 PolarHBondContact O-N 3.46Å; T139-M150 WeakPolarHBondContact OG1-CE 3.39Å; T139-M150 PolarHBondContact OG1-SD 3.04Å
140	L	93.1	Very high	90.4	Very high	30 Å²	30	45.7 Å²	45.7	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-47.8	179	179.4	68.8	0	0	0	112	V136 V137 F138 E143 R144 L192 A194	V136-L140 WeakPolarHBondContact O-CB 3.22Å; V136-L140 PolarHBondContact O-N 3.07Å; V137-L140 WeakPolarHBondContact O-CB 3.44Å; V137-L140 PolarHBondContact O-N 2.79Å; F138-L140 PolarHBondContact O-N 2.94Å; L140-E143 PolarHBondContact O-N 3.39Å; L140-R144 HydrophobicContact CD1-CG 4.44Å; L140-R144 WeakPolarHBondContact O-CB 3.36Å; L140-R144 VanDerWaalsContact O-CG 3.23Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.38Å; L140-R144 VanDerWaalsContact O-N 3.1Å; L140-L192 HydrophobicContact CD2-CB 4.38Å; L140-L192 HydrophobicContact CD2-CD1 4.31Å; L140-A194 HydrophobicContact CD2-CB 3.49Å; L140-A194 VanDerWaalsContact CD2-CB 3.49Å
141	L	92.6	Very high	91.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-37.9	-178.4	-70	166.2	0	0	0	112.1	V137 F138 T139 R144 N145 L146 V189 L192 F269 F311	V137-L141 HydrophobicContact CG1-CD1 3.68Å; V137-L141 WeakPolarHBondContact O-CG 3.49Å; V137-L141 PolarHBondContact O-N 3.45Å; F138-L141 PolarHBondContact O-N 3.07Å; T139-L141 PolarHBondContact O-N 3Å; L141-R144 PolarHBondContact O-N 2.98Å; L141-N145 PolarHBondContact O-N 2.98Å; L141-L146 HydrophobicContact CD2-CB 3.75Å; L141-L146 HydrophobicContact CD2-CD1 4.13Å; L141-L146 PolarHBondContact O-N 2.84Å; L141-V189 HydrophobicContact CD2-CG2 4.36Å; L141-L192 HydrophobicContact CD2-CD1 3.46Å; L141-L192 VanDerWaalsContact CD2-CD1 3.46Å; L141-L192 HydrophobicContact CG-CD1 4.44Å; L141-F269 HydrophobicContact CD1-CE1 4.48Å; L141-F269 HydrophobicContact CD2-CE1 4.41Å; L141-F311 HydrophobicContact CB-CD2 4.48Å; L141-F311 HydrophobicContact CB-CE2 4.04Å; L141-F311 HydrophobicContact CB-CZ 4.21Å; L141-F311 HydrophobicContact CD1-CB 4.11Å; L141-F311 HydrophobicContact CD1-CD1 3.37Å; L141-F311 HydrophobicContact CD1-CD2 3.56Å; L141-F311 HydrophobicContact CD1-CE1 3.55Å; L141-F311 HydrophobicContact CD1-CE2 3.73Å; L141-F311 HydrophobicContact CD1-CG 3.38Å; L141-F311 HydrophobicContact CD1-CZ 3.73Å
142	S	93.1	Very high	91.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-49.9	171.9	166	0	0	0	0	111.8	F138 T139 R144 N145 K149 M150	F138-S142 VanDerWaalsContact O-CB 3.29Å; F138-S142 WeakPolarHBondContact O-CB 3.26Å; F138-S142 PolarHBondContact O-N 2.98Å; T139-S142 WeakPolarHBondContact O-CB 3.44Å; T139-S142 PolarHBondContact O-N 3.41Å; S142-R144 VanDerWaalsContact C-N 3.28Å; S142-R144 PolarHBondContact O-N 3.36Å; S142-N145 PolarHBondContact O-N 3.19Å; S142-K149 PolarHBondContact O-NZ 2.69Å; S142-K149 WeakPolarHBondContact OG-CA 3.33Å; S142-M150 PolarHBondContact OG-N 2.99Å
143	E	92.3	Very high	91.8	Very high	133 Å²	133	42 Å²	42	62%	0.621	22%	0.224	S	C	*	.	H	α-helix	trans	-69.3	-27	-177.8	-68.6	-52	109.3	0	0	112.7	T139 L140 N145	T139-E143 WeakPolarHBondContact O-CG 3.34Å; T139-E143 PolarHBondContact O-N 3.46Å; L140-E143 PolarHBondContact O-N 3.39Å; E143-N145 VanDerWaalsContact C-N 3.34Å
144	R	90.3	Very high	91.9	Very high	118 Å²	118	40.2 Å²	40.2	45%	0.445	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2.3	176.6	-63.4	-72.3	-174.9	144.2	2.2	114	L140 L141 S142 L146 L192	L140-R144 HydrophobicContact CD1-CG 4.44Å; L140-R144 WeakPolarHBondContact O-CB 3.36Å; L140-R144 VanDerWaalsContact O-CG 3.23Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.38Å; L140-R144 VanDerWaalsContact O-N 3.1Å; L141-R144 PolarHBondContact O-N 2.98Å; S142-R144 VanDerWaalsContact C-N 3.28Å; S142-R144 PolarHBondContact O-N 3.36Å; R144-L146 HydrophobicContact CB-CD1 3.99Å; R144-L146 HydrophobicContact CB-CG 4.12Å; R144-L146 PolarHBondContact O-N 3.3Å; R144-L192 HydrophobicContact CB-CD2 4.41Å; R144-L192 HydrophobicContact CG-CD2 3.9Å
145	N	90.6	Very high	91.8	Very high	118 Å²	118	44.1 Å²	44.1	63%	0.631	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	34.2	-174.5	-52.9	-62.5	0	0	0	113.3	L141 S142 E143 K149	L141-N145 PolarHBondContact O-N 2.98Å; S142-N145 PolarHBondContact O-N 3.19Å; E143-N145 VanDerWaalsContact C-N 3.34Å; N145-K149 VanDerWaalsContact OD1-CE 3.3Å; N145-K149 WeakPolarHBondContact OD1-CE 3.47Å; N145-K149 PolarHBondContact OD1-NZ 3.4Å
146	L	91.3	Very high	91.5	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.079	24%	0.244	C	C	.	.	S	Bend	trans	-103	6.7	178.1	-66.6	172.7	0	0	0	112.6	L141 R144 R188 V189 L192	L141-L146 HydrophobicContact CD2-CB 3.75Å; L141-L146 HydrophobicContact CD2-CD1 4.13Å; L141-L146 PolarHBondContact O-N 2.84Å; R144-L146 HydrophobicContact CB-CD1 3.99Å; R144-L146 HydrophobicContact CB-CG 4.12Å; R144-L146 PolarHBondContact O-N 3.3Å; L146-R188 HydrophobicContact CD1-CB 4.22Å; L146-R188 HydrophobicContact CD2-CB 3.74Å; L146-V189 HydrophobicContact CD1-CG2 4.39Å; L146-L192 HydrophobicContact CD1-CD1 3.78Å; L146-L192 HydrophobicContact CD1-CD2 4Å; L146-L192 HydrophobicContact CD1-CG 4.15Å
147	G	91.9	Very high	91.3	Very high	9 Å²	9	41.7 Å²	41.7	9%	0.093	23%	0.228	C	C	.	.	S	Bend	trans	-169.6	-173.3	177.7	0	0	0	0	0	112.1	L308	G147-L308 WeakPolarHBondContact CA-O 3.12Å
148	P	93.6	Very high	91.3	Very high	7 Å²	7	42 Å²	42	5%	0.045	23%	0.229	C	C	.	.			trans	-60	144.9	178.2	-19.9	30.9	0	0	0	112	F138 M150 Q161 I163 I309	F138-P148 WeakPolarHBondContact CE1-O 3.23Å; F138-P148 HydrophobicContact CZ-CB 4.25Å; P148-M150 PolarHBondContact O-N 3.49Å; P148-Q161 HydrophobicContact CB-CB 4.18Å; P148-I163 HydrophobicContact CB-CD1 4.12Å; P148-I163 HydrophobicContact CG-CD1 3.9Å; P148-I309 HydrophobicContact CG-CG2 3.76Å
149	K	94.8	Very high	91.4	Very high	65 Å²	65	41.7 Å²	41.7	28%	0.283	23%	0.228	S	C	.	.			trans	-63.8	137.1	175	-64.3	-68.8	178.5	-175.2	0	111.9	S142 N145 L151 E160 Q161	S142-K149 PolarHBondContact O-NZ 2.69Å; S142-K149 WeakPolarHBondContact OG-CA 3.33Å; N145-K149 VanDerWaalsContact OD1-CE 3.3Å; N145-K149 WeakPolarHBondContact OD1-CE 3.47Å; N145-K149 PolarHBondContact OD1-NZ 3.4Å; K149-L151 HydrophobicContact CB-CD2 4.29Å; K149-L151 PolarHBondContact O-N 2.87Å; K149-E160 CarbonylContact O-C 3.59Å; K149-E160 WeakPolarHBondContact O-CA 3.35Å; K149-Q161 HydrophobicContact CB-CB 3.96Å; K149-Q161 VanDerWaalsContact N-OE1 3.1Å; K149-Q161 PolarHBondContact O-N 3.31Å
150	M	94.1	Very high	91.5	Very high	39 Å²	39	39.3 Å²	39.3	19%	0.192	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	113	167.4	-174.2	177	-78.6	0	0	109.1	F138 T139 S142 P148 V153	F138-M150 HydrophobicContact CB-CE 3.79Å; F138-M150 HydrophobicContact CD1-CB 3.91Å; F138-M150 HydrophobicContact CD1-CE 3.42Å; F138-M150 VanDerWaalsContact CD1-CE 3.42Å; F138-M150 HydrophobicContact CD1-CG 4.33Å; F138-M150 HydrophobicContact CE1-CB 3.87Å; F138-M150 HydrophobicContact CE1-CE 4.38Å; F138-M150 HydrophobicContact CE1-CG 4.47Å; F138-M150 HydrophobicContact CG-CE 3.94Å; T139-M150 WeakPolarHBondContact OG1-CE 3.39Å; T139-M150 PolarHBondContact OG1-SD 3.04Å; S142-M150 PolarHBondContact OG-N 2.99Å; P148-M150 PolarHBondContact O-N 3.49Å; M150-V153 HydrophobicContact CE-CG2 4.01Å; M150-V153 HydrophobicContact CG-CG2 3.98Å; M150-V153 HydrophobicContact SD-CG2 3.27Å; M150-V153 WeakPolarHBondContact SD-CG2 3.4Å
151	L	95.1	Very high	91.6	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.277	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-24.1	-175.2	-59.2	172.6	0	0	0	113	L74 P115 A118 K149 F159 E160	L74-L151 HydrophobicContact CD2-CB 3.79Å; L74-L151 HydrophobicContact CD2-CD1 4.32Å; P115-L151 HydrophobicContact CB-CD1 4.38Å; P115-L151 HydrophobicContact CG-CD1 3.72Å; A118-L151 HydrophobicContact CB-CD1 3.76Å; K149-L151 HydrophobicContact CB-CD2 4.29Å; K149-L151 PolarHBondContact O-N 2.87Å; L151-F159 HydrophobicContact CB-CB 3.91Å; L151-F159 PolarHBondContact N-O 3.46Å; L151-E160 WeakPolarHBondContact CD1-O 3.43Å
152	G	92.6	Very high	91.7	Very high	13 Å²	13	43.4 Å²	43.4	13%	0.134	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	151.5	176.4	0	0	0	0	0	112.3	R158 F159	G152-R158 CarbonylContact O-C 3.53Å; G152-R158 VanDerWaalsContact O-CA 3.29Å; G152-R158 WeakPolarHBondContact O-CA 3.39Å; G152-R158 WeakPolarHBondContact O-CB 3.46Å; G152-F159 PolarHBondContact N-O 2.93Å; G152-F159 PolarHBondContact O-N 3.44Å
153	V	91.1	Very high	91.6	Very high	70 Å²	70	44.3 Å²	44.3	42%	0.424	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.9	179.9	-177.6	0	0	0	0	109.4	Y73 M150 R158	Y73-V153 WeakPolarHBondContact CE1-O 3.36Å; M150-V153 HydrophobicContact CE-CG2 4.01Å; M150-V153 HydrophobicContact CG-CG2 3.98Å; M150-V153 HydrophobicContact SD-CG2 3.27Å; M150-V153 WeakPolarHBondContact SD-CG2 3.4Å; V153-R158 HydrophobicContact CG2-CB 4.44Å
154	F	88.6	Confident	91.7	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.5	179.5	54	-95.6	0	0	0	111.6	L45 L69 Y73 L120 G156 G157 F159	L45-F154 HydrophobicContact CD1-CD2 4.09Å; L45-F154 HydrophobicContact CD1-CE2 4.01Å; L69-F154 HydrophobicContact CD1-CE2 3.95Å; L69-F154 HydrophobicContact CD1-CZ 3.99Å; L69-F154 HydrophobicContact CD2-CD1 4.33Å; L69-F154 HydrophobicContact CD2-CD2 4.01Å; L69-F154 HydrophobicContact CD2-CE2 4.24Å; L69-F154 HydrophobicContact CD2-CG 4.09Å; Y73-F154 HydrophobicContact CD1-CB 4.47Å; Y73-F154 HydrophobicContact CD2-CB 4.19Å; Y73-F154 AromaticContact CD2-CD1 3.89Å; Y73-F154 HydrophobicContact CD2-CD1 3.89Å; Y73-F154 HydrophobicContact CD2-CG 4.3Å; Y73-F154 HydrophobicContact CE1-CB 3.83Å; Y73-F154 HydrophobicContact CE2-CB 3.49Å; Y73-F154 VanDerWaalsContact CE2-CB 3.49Å; Y73-F154 HydrophobicContact CE2-CD1 4.01Å; Y73-F154 AromaticContact CE2-CG 3.93Å; Y73-F154 HydrophobicContact CE2-CG 3.93Å; Y73-F154 HydrophobicContact CG-CD1 4.27Å; Y73-F154 WeakPolarHBondContact OH-CB 3.48Å; L120-F154 HydrophobicContact CD1-CE1 4.01Å; L120-F154 HydrophobicContact CD1-CE2 4.45Å; L120-F154 HydrophobicContact CD1-CZ 3.43Å; L120-F154 VanDerWaalsContact CD1-CZ 3.43Å; F154-G156 PolarHBondContact O-N 3.28Å; F154-G157 VanDerWaalsContact CE2-CA 3.41Å; F154-G157 VanDerWaalsContact CZ-C 3.4Å; F154-G157 PolarHBondContact N-O 2.97Å; F154-G157 PolarHBondContact O-N 3.11Å; F154-G157 VanDerWaalsContact O-N 3.1Å; F154-F159 HydrophobicContact CD1-CD2 4.29Å; F154-F159 HydrophobicContact CD1-CE2 4.35Å; F154-F159 AromaticContact CE1-CD2 3.73Å; F154-F159 HydrophobicContact CE1-CD2 3.73Å; F154-F159 AromaticContact CE1-CE2 3.77Å; F154-F159 HydrophobicContact CE1-CE2 3.77Å
155	P	84.3	Confident	91.9	Very high	94 Å²	94	37 Å²	37	61%	0.61	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	118.1	176.3	-25.7	35.5	0	0	0	111.1	L45	L45-P155 WeakPolarHBondContact CD1-O 3.23Å
156	G	81.7	Confident	92	Very high	33 Å²	33	35.8 Å²	35.8	34%	0.34	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	8.1	179.5	0	0	0	0	0	116	H123 F154	H123-G156 PolarHBondContact N-O 3.31Å; F154-G156 PolarHBondContact O-N 3.28Å
157	G	88.4	Confident	92.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-171.5	174.1	0	0	0	0	0	115.9	R121 F154	R121-G157 CarbonylContact O-C 3.51Å; R121-G157 WeakPolarHBondContact O-CA 3.49Å; F154-G157 VanDerWaalsContact CE2-CA 3.41Å; F154-G157 VanDerWaalsContact CZ-C 3.4Å; F154-G157 PolarHBondContact N-O 2.97Å; F154-G157 PolarHBondContact O-N 3.11Å; F154-G157 VanDerWaalsContact O-N 3.1Å
158	R	92.3	Very high	92.4	Very high	8 Å²	8	36.2 Å²	36.2	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	164.2	178	62.1	178.5	178.6	-95.3	-3.9	112.4	R121 H123 E134 G152 V153 E160	R121-R158 HydrophobicContact CB-CG 4.23Å; R121-R158 PolarHBondContact N-O 3.32Å; R121-R158 VanDerWaalsContact NE-NH2 3.19Å; R121-R158 PolarHBondContact O-N 3.48Å; H123-R158 PolarHBondContact NE2-NH1 2.79Å; E134-R158 IonicContact OE1-CZ 2.71Å; E134-R158 IonicContact OE1-NH1 3.85Å; E134-R158 PolarHBondContact OE1-NH1 3Å; E134-R158 IonicContact OE1-NH2 3.27Å; E134-R158 PolarHBondContact OE1-NH2 3.37Å; G152-R158 CarbonylContact O-C 3.53Å; G152-R158 VanDerWaalsContact O-CA 3.29Å; G152-R158 WeakPolarHBondContact O-CA 3.39Å; G152-R158 WeakPolarHBondContact O-CB 3.46Å; V153-R158 HydrophobicContact CG2-CB 4.44Å; R158-E160 HydrophobicContact CG-CG 4.15Å; R158-E160 IonicContact CZ-OE1 3.67Å; R158-E160 IonicContact NE-OE1 3.18Å; R158-E160 PolarHBondContact NE-OE1 2.8Å; R158-E160 IonicContact NH2-OE1 3.5Å; R158-E160 PolarHBondContact NH2-OE1 2.84Å
159	F	95	Very high	92.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.9	165.6	-74.1	-75.3	0	0	0	110.7	L69 C70 L74 V102 A118 L119 L120 L151 G152 F154	L69-F159 HydrophobicContact CB-CE2 3.85Å; L69-F159 HydrophobicContact CB-CZ 3.79Å; C70-F159 HydrophobicContact CB-CZ 4.44Å; L74-F159 HydrophobicContact CD1-CD1 4.2Å; L74-F159 HydrophobicContact CD1-CE1 4.21Å; L74-F159 HydrophobicContact CD1-CG 4.47Å; L74-F159 HydrophobicContact CD2-CB 3.89Å; L74-F159 HydrophobicContact CD2-CD1 4.36Å; L74-F159 HydrophobicContact CD2-CD2 4.1Å; L74-F159 HydrophobicContact CD2-CG 3.88Å; L74-F159 HydrophobicContact CG-CD1 4.48Å; L74-F159 HydrophobicContact CG-CD2 4.24Å; L74-F159 HydrophobicContact CG-CE2 4.43Å; L74-F159 HydrophobicContact CG-CG 4.27Å; V102-F159 HydrophobicContact CG2-CE1 4.07Å; A118-F159 HydrophobicContact CB-CD1 4.04Å; L119-F159 CarbonylContact O-C 3.55Å; L119-F159 VanDerWaalsContact O-CA 3.27Å; L119-F159 WeakPolarHBondContact O-CA 3.42Å; L120-F159 HydrophobicContact CB-CD1 4.14Å; L120-F159 HydrophobicContact CB-CE1 3.78Å; L120-F159 HydrophobicContact CD1-CD1 4.33Å; L120-F159 HydrophobicContact CD1-CE1 3.85Å; L120-F159 HydrophobicContact CD1-CE2 4.44Å; L120-F159 HydrophobicContact CD1-CZ 3.91Å; L120-F159 HydrophobicContact CG-CE1 4.32Å; L151-F159 HydrophobicContact CB-CB 3.91Å; L151-F159 PolarHBondContact N-O 3.46Å; G152-F159 PolarHBondContact N-O 2.93Å; G152-F159 PolarHBondContact O-N 3.44Å; F154-F159 HydrophobicContact CD1-CD2 4.29Å; F154-F159 HydrophobicContact CD1-CE2 4.35Å; F154-F159 AromaticContact CE1-CD2 3.73Å; F154-F159 HydrophobicContact CE1-CD2 3.73Å; F154-F159 AromaticContact CE1-CE2 3.77Å; F154-F159 HydrophobicContact CE1-CE2 3.77Å
160	E	95	Very high	92.4	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.3	178.7	-48.4	176.2	173.7	0	0	109.3	L119 R121 F138 K149 L151 R158 F162	L119-E160 HydrophobicContact CB-CB 4.18Å; L119-E160 PolarHBondContact N-O 3.01Å; L119-E160 PolarHBondContact O-N 3.05Å; R121-E160 IonicContact CZ-OE1 2.8Å; R121-E160 IonicContact CZ-OE2 2.72Å; R121-E160 IonicContact NE-OE1 2.67Å; R121-E160 PolarHBondContact NE-OE1 2.72Å; R121-E160 IonicContact NE-OE2 2.76Å; R121-E160 IonicContact NH2-OE1 3.79Å; R121-E160 PolarHBondContact NH2-OE1 2.79Å; R121-E160 IonicContact NH2-OE2 2.68Å; R121-E160 PolarHBondContact NH2-OE2 3.33Å; R121-E160 VanDerWaalsContact NH2-OE2 3.14Å; F138-E160 HydrophobicContact CE1-CG 4.22Å; F138-E160 HydrophobicContact CE2-CG 3.93Å; F138-E160 WeakPolarHBondContact CE2-OE1 3.45Å; F138-E160 HydrophobicContact CZ-CB 3.88Å; F138-E160 HydrophobicContact CZ-CG 3.47Å; F138-E160 VanDerWaalsContact CZ-CG 3.47Å; K149-E160 CarbonylContact O-C 3.59Å; K149-E160 WeakPolarHBondContact O-CA 3.35Å; L151-E160 WeakPolarHBondContact CD1-O 3.43Å; R158-E160 HydrophobicContact CG-CG 4.15Å; R158-E160 IonicContact CZ-OE1 3.67Å; R158-E160 IonicContact NE-OE1 3.18Å; R158-E160 PolarHBondContact NE-OE1 2.8Å; R158-E160 IonicContact NH2-OE1 3.5Å; R158-E160 PolarHBondContact NH2-OE1 2.84Å; E160-F162 PolarHBondContact O-N 3.24Å
161	Q	95.3	Very high	92.4	Very high	76 Å²	76	38 Å²	38	36%	0.355	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	129.8	170.5	179.7	-177.2	12.9	0	0	110.2	P148 K149 I163	P148-Q161 HydrophobicContact CB-CB 4.18Å; K149-Q161 HydrophobicContact CB-CB 3.96Å; K149-Q161 VanDerWaalsContact N-OE1 3.1Å; K149-Q161 PolarHBondContact O-N 3.31Å; Q161-I163 HydrophobicContact CG-CG1 4.25Å
162	F	94.1	Very high	92.5	Very high	41 Å²	41	36.9 Å²	36.9	18%	0.18	21%	0.21	C	C	.	.			trans	-79.3	124.4	165.8	178.4	-113.8	0	0	0	109.6	I91 L101 K117 L119 E160 P164	I91-F162 HydrophobicContact CD1-CE2 4.24Å; L101-F162 HydrophobicContact CD1-CB 3.57Å; L101-F162 HydrophobicContact CD1-CD1 3.92Å; L101-F162 HydrophobicContact CD1-CD2 3.53Å; L101-F162 HydrophobicContact CD1-CE2 4.17Å; L101-F162 HydrophobicContact CD1-CG 3.36Å; L101-F162 HydrophobicContact CD2-CD1 4.41Å; L101-F162 HydrophobicContact CD2-CE1 4.31Å; L101-F162 HydrophobicContact CD2-CE2 4.41Å; L101-F162 HydrophobicContact CD2-CZ 4.31Å; K117-F162 HydrophobicContact CB-CB 4.2Å; K117-F162 HydrophobicContact CB-CD1 4.15Å; K117-F162 HydrophobicContact CD-CD1 4.02Å; K117-F162 HydrophobicContact CD-CE1 4.33Å; L119-F162 HydrophobicContact CD1-CD2 4.19Å; L119-F162 HydrophobicContact CD2-CD2 3.85Å; L119-F162 HydrophobicContact CG-CB 4.14Å; L119-F162 HydrophobicContact CG-CD2 3.95Å; E160-F162 PolarHBondContact O-N 3.24Å; F162-P164 HydrophobicContact CD1-CG 4.26Å; F162-P164 HydrophobicContact CE1-CB 4.43Å; F162-P164 HydrophobicContact CE1-CG 4.03Å; F162-P164 WeakPolarHBondContact O-CD 3.41Å
163	I	92	Very high	92.7	Very high	20 Å²	20	36.3 Å²	36.3	10%	0.103	20%	0.204	C	C	.	.			trans	-106.2	108.5	177	-56.7	178.7	0	0	0	108	P148 Q161 S165 I282 S307	P148-I163 HydrophobicContact CB-CD1 4.12Å; P148-I163 HydrophobicContact CG-CD1 3.9Å; Q161-I163 HydrophobicContact CG-CG1 4.25Å; I163-S165 PolarHBondContact O-N 2.98Å; I163-S165 PolarHBondContact O-OG 2.88Å; I163-I282 HydrophobicContact CG2-CG1 3.93Å; I163-S307 VanDerWaalsContact CD1-OG 3.24Å; I163-S307 WeakPolarHBondContact CD1-OG 3.43Å
164	P	93.7	Very high	92.9	Very high	60 Å²	60	33.3 Å²	33.3	39%	0.39	19%	0.186	S	C	.	.			trans	-59.9	111.6	170.8	-19.9	32.4	0	0	0	109.7	F162 D283	F162-P164 HydrophobicContact CD1-CG 4.26Å; F162-P164 HydrophobicContact CE1-CB 4.43Å; F162-P164 HydrophobicContact CE1-CG 4.03Å; F162-P164 WeakPolarHBondContact O-CD 3.41Å; P164-D283 VanDerWaalsContact C-CG 3.48Å; P164-D283 HydrophobicContact CB-CB 4.23Å; P164-D283 VanDerWaalsContact CB-OD2 3.28Å; P164-D283 WeakPolarHBondContact CB-OD2 3.41Å; P164-D283 PolarHBondContact O-N 3.04Å
165	S	93.9	Very high	93.3	Very high	36 Å²	36	35.5 Å²	35.5	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	173.5	-167.2	56.8	0	0	0	0	111.8	I163 L280 L281	I163-S165 PolarHBondContact O-N 2.98Å; I163-S165 PolarHBondContact O-OG 2.88Å; S165-L280 WeakPolarHBondContact OG-CD1 3.02Å; S165-L281 VanDerWaalsContact CA-O 3.23Å; S165-L281 WeakPolarHBondContact CA-O 3.48Å; S165-L281 WeakPolarHBondContact CB-O 2.95Å
166	R	94.4	Very high	93.8	Very high	93 Å²	93	33 Å²	33	35%	0.351	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.4	162.4	64.1	170.5	-172.5	86.4	-11.7	110.5	E172 L280 L281	R166-E172 IonicContact CZ-OE1 3.09Å; R166-E172 IonicContact CZ-OE2 2.71Å; R166-E172 IonicContact NH1-OE1 3.48Å; R166-E172 PolarHBondContact NH1-OE1 2.98Å; R166-E172 IonicContact NH1-OE2 3.4Å; R166-E172 PolarHBondContact NH1-OE2 2.99Å; R166-E172 IonicContact NH2-OE1 3.52Å; R166-E172 PolarHBondContact NH2-OE1 3.48Å; R166-E172 IonicContact NH2-OE2 3.33Å; R166-L280 CarbonylContact O-C 3.49Å; R166-L280 WeakPolarHBondContact O-CA 3.44Å; R166-L281 HydrophobicContact CG-CB 4.42Å; R166-L281 PolarHBondContact N-O 2.88Å; R166-L281 VanDerWaalsContact N-O 3.08Å; R166-L281 PolarHBondContact O-N 3.11Å
167	A	94.3	Very high	94.5	Very high	32 Å²	32	32 Å²	32	26%	0.264	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	149.6	166	0	0	0	0	0	110.9	F279 L280	A167-F279 CarbonylContact C-O 3.59Å; A167-F279 WeakPolarHBondContact CA-O 3.49Å; A167-L280 HydrophobicContact CB-CD2 4.23Å
168	L	96.6	Very high	94.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.168	C	C	.	.			trans	-66.4	161	165.5	-64.9	-175.6	0	0	0	110	E172 I173 L178 I182 E276 F279 L281 L306	L168-E172 WeakPolarHBondContact CA-OE2 3.45Å; L168-I173 HydrophobicContact CB-CG2 3.91Å; L168-I173 HydrophobicContact CD1-CG2 3.84Å; L168-L178 HydrophobicContact CD1-CD1 4.22Å; L168-L178 HydrophobicContact CD1-CD2 4.06Å; L168-L178 HydrophobicContact CD2-CD1 4.03Å; L168-L178 HydrophobicContact CD2-CD2 4.21Å; L168-I182 HydrophobicContact CD1-CD1 4.03Å; L168-E276 HydrophobicContact CB-CB 4.32Å; L168-E276 PolarHBondContact N-O 2.88Å; L168-E276 WeakPolarHBondContact O-CG 3.46Å; L168-F279 HydrophobicContact CB-CB 4.42Å; L168-F279 HydrophobicContact CD1-CB 3.63Å; L168-F279 HydrophobicContact CD1-CG 4.44Å; L168-F279 HydrophobicContact CG-CB 3.96Å; L168-F279 WeakPolarHBondContact CG-O 3.49Å; L168-F279 PolarHBondContact N-O 3.34Å; L168-L281 HydrophobicContact CD2-CB 3.99Å; L168-L306 HydrophobicContact CD1-CD1 4.49Å; L168-L306 HydrophobicContact CD1-CD2 4.27Å; L168-L306 HydrophobicContact CD2-CD2 4.39Å
169	Q	94.9	Very high	95.1	Very high	78 Å²	78	31.5 Å²	31.5	36%	0.364	17%	0.166	S	C	.	.			trans	-105.4	158.1	175.8	-54	-64.2	-69.5	0	0	110.4	L171 E172 I173 N335	Q169-L171 VanDerWaalsContact C-N 3.3Å; Q169-L171 PolarHBondContact O-N 3.15Å; Q169-E172 HydrophobicContact CB-CB 4.5Å; Q169-E172 HydrophobicContact CB-CG 4.01Å; Q169-E172 PolarHBondContact N-OE2 3.4Å; Q169-E172 WeakPolarHBondContact O-CA 3.29Å; Q169-E172 WeakPolarHBondContact O-CB 3.29Å; Q169-E172 PolarHBondContact O-N 3.24Å; Q169-I173 PolarHBondContact O-N 2.77Å; Q169-N335 PolarHBondContact OE1-ND2 3.25Å
170	C	93.9	Very high	95.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-48.6	-49.5	-178.6	175.2	0	0	0	0	112.4	E172 I173 Y332 D333	C170-E172 VanDerWaalsContact C-N 3.25Å; C170-E172 PolarHBondContact O-N 2.9Å; C170-I173 WeakPolarHBondContact O-CG1 3.45Å; C170-Y332 VanDerWaalsContact SG-C 3.54Å; C170-Y332 PolarHBondContact SG-O 3.02Å; C170-D333 HydrophobicContact CB-CB 3.78Å
171	L	93.3	Very high	95.4	Very high	71 Å²	71	39 Å²	39	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-76.2	-8.2	-179.5	-54.7	-173.3	0	0	0	114.3	Q169 S174 K175 Y348	Q169-L171 VanDerWaalsContact C-N 3.3Å; Q169-L171 PolarHBondContact O-N 3.15Å; L171-S174 PolarHBondContact O-OG 2.78Å; L171-K175 WeakPolarHBondContact O-CG 3.36Å; L171-Y348 HydrophobicContact CD2-CD2 4.26Å; L171-Y348 HydrophobicContact CD2-CE2 3.45Å; L171-Y348 VanDerWaalsContact CD2-CE2 3.45Å
172	E	96.9	Very high	95.5	Very high	29 Å²	29	35.3 Å²	35.3	14%	0.136	18%	0.183	C	C	.	.	H	α-helix	trans	-84	-39.1	176.7	-67.7	-178.3	138.3	0	0	111.6	R166 L168 Q169 C170 S174 K175 L178 L287	R166-E172 IonicContact CZ-OE1 3.09Å; R166-E172 IonicContact CZ-OE2 2.71Å; R166-E172 IonicContact NH1-OE1 3.48Å; R166-E172 PolarHBondContact NH1-OE1 2.98Å; R166-E172 IonicContact NH1-OE2 3.4Å; R166-E172 PolarHBondContact NH1-OE2 2.99Å; R166-E172 IonicContact NH2-OE1 3.52Å; R166-E172 PolarHBondContact NH2-OE1 3.48Å; R166-E172 IonicContact NH2-OE2 3.33Å; L168-E172 WeakPolarHBondContact CA-OE2 3.45Å; Q169-E172 HydrophobicContact CB-CB 4.5Å; Q169-E172 HydrophobicContact CB-CG 4.01Å; Q169-E172 PolarHBondContact N-OE2 3.4Å; Q169-E172 WeakPolarHBondContact O-CA 3.29Å; Q169-E172 WeakPolarHBondContact O-CB 3.29Å; Q169-E172 PolarHBondContact O-N 3.24Å; C170-E172 VanDerWaalsContact C-N 3.25Å; C170-E172 PolarHBondContact O-N 2.9Å; E172-S174 PolarHBondContact O-N 3.41Å; E172-K175 VanDerWaalsContact O-CB 3.29Å; E172-K175 WeakPolarHBondContact O-CB 3.18Å; E172-K175 WeakPolarHBondContact O-CG 3.22Å; E172-K175 PolarHBondContact O-N 2.98Å; E172-L178 HydrophobicContact CB-CD1 3.7Å; E172-L178 VanDerWaalsContact O-CD1 3.24Å; E172-L178 WeakPolarHBondContact O-CD1 3.36Å; E172-L287 HydrophobicContact CG-CD1 4.42Å; E172-L287 WeakPolarHBondContact OE1-CD1 3.16Å
173	I	96.7	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-20.4	-175.6	59.3	164.6	0	0	0	113.7	L168 Q169 C170 K175 S179 I182 E276 E329 Y330	L168-I173 HydrophobicContact CB-CG2 3.91Å; L168-I173 HydrophobicContact CD1-CG2 3.84Å; Q169-I173 PolarHBondContact O-N 2.77Å; C170-I173 WeakPolarHBondContact O-CG1 3.45Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-S179 PolarHBondContact O-OG 3.39Å; I173-I182 HydrophobicContact CB-CD1 4.05Å; I173-I182 HydrophobicContact CG2-CD1 3.93Å; I173-E276 HydrophobicContact CD1-CB 4.14Å; I173-E276 HydrophobicContact CG1-CB 4.35Å; I173-E276 HydrophobicContact CG2-CB 3.73Å; I173-E329 HydrophobicContact CD1-CB 4.11Å; I173-Y330 HydrophobicContact CB-CE1 4.4Å; I173-Y330 HydrophobicContact CD1-CD1 3.85Å; I173-Y330 HydrophobicContact CD1-CE1 4.27Å; I173-Y330 HydrophobicContact CG1-CD1 3.94Å; I173-Y330 HydrophobicContact CG1-CE1 4.19Å; I173-Y330 WeakPolarHBondContact O-CE1 3.42Å; I173-Y330 PolarHBondContact O-OH 3Å
174	S	94.8	Very high	95.9	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.049	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.5	174	65.5	0	0	0	0	114.2	L171 E172	L171-S174 PolarHBondContact O-OG 2.78Å; E172-S174 PolarHBondContact O-N 3.41Å
175	K	97	Very high	96.1	Very high	59 Å²	59	30.8 Å²	30.8	26%	0.257	16%	0.158	S	C	.	.	S	Bend	trans	-76.2	131	-176.9	-65.9	-174.5	175.6	-165	0	111.4	L171 E172 I173 G177 L178 S179 D289 D290	L171-K175 WeakPolarHBondContact O-CG 3.36Å; E172-K175 VanDerWaalsContact O-CB 3.29Å; E172-K175 WeakPolarHBondContact O-CB 3.18Å; E172-K175 WeakPolarHBondContact O-CG 3.22Å; E172-K175 PolarHBondContact O-N 2.98Å; I173-K175 VanDerWaalsContact C-N 3.33Å; K175-G177 VanDerWaalsContact C-N 3.25Å; K175-G177 PolarHBondContact O-N 3.15Å; K175-L178 PolarHBondContact O-N 3.24Å; K175-S179 PolarHBondContact O-N 3.42Å; K175-S179 PolarHBondContact O-OG 2.9Å; K175-S179 VanDerWaalsContact O-OG 3.06Å; K175-D289 WeakPolarHBondContact CD-O 3.3Å; K175-D289 VanDerWaalsContact CE-O 3.29Å; K175-D289 WeakPolarHBondContact CE-O 3.38Å; K175-D289 PolarHBondContact NZ-O 2.78Å; K175-D290 WeakPolarHBondContact CB-O 3.24Å
176	P	96.2	Very high	96.3	Very high	41 Å²	41	29.1 Å²	29.1	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-53.2	-35.6	-175.8	-29.7	35.4	0	0	0	115.4	K180 E354 V357	P176-K180 WeakPolarHBondContact O-CG 3.41Å; P176-K180 PolarHBondContact O-N 3.05Å; P176-E354 HydrophobicContact CG-CG 4.46Å; P176-V357 HydrophobicContact CB-CG1 4.21Å
177	G	96.4	Very high	96.4	Very high	11 Å²	11	24.7 Å²	24.7	11%	0.113	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-39.9	178.1	0	0	0	0	0	113.1	K175 D290 G291	K175-G177 VanDerWaalsContact C-N 3.25Å; K175-G177 PolarHBondContact O-N 3.15Å; G177-D290 PolarHBondContact N-O 3.49Å; G177-G291 CarbonylContact C-O 3.54Å; G177-G291 VanDerWaalsContact C-O 3.28Å
178	L	97.2	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-77	-38	175.8	-86.2	170.1	0	0	0	111.7	L168 E172 K175 K180 L181 I182 L287 G291 V293 L306	L168-L178 HydrophobicContact CD1-CD1 4.22Å; L168-L178 HydrophobicContact CD1-CD2 4.06Å; L168-L178 HydrophobicContact CD2-CD1 4.03Å; L168-L178 HydrophobicContact CD2-CD2 4.21Å; E172-L178 HydrophobicContact CB-CD1 3.7Å; E172-L178 VanDerWaalsContact O-CD1 3.24Å; E172-L178 WeakPolarHBondContact O-CD1 3.36Å; K175-L178 PolarHBondContact O-N 3.24Å; L178-K180 PolarHBondContact O-N 2.94Å; L178-L181 WeakPolarHBondContact O-CA 3.42Å; L178-L181 WeakPolarHBondContact O-CB 2.96Å; L178-L181 PolarHBondContact O-N 3.28Å; L178-I182 HydrophobicContact CB-CD1 4.42Å; L178-I182 WeakPolarHBondContact O-CG1 3.44Å; L178-I182 PolarHBondContact O-N 3.48Å; L178-L287 HydrophobicContact CD1-CD1 3.94Å; L178-L287 HydrophobicContact CD1-CD2 4Å; L178-L287 HydrophobicContact CD2-CD2 4.03Å; L178-L287 HydrophobicContact CG-CD2 3.95Å; L178-G291 WeakPolarHBondContact CG-O 3.42Å; L178-G291 PolarHBondContact N-O 3.15Å; L178-V293 HydrophobicContact CD2-CG2 3.96Å; L178-L306 HydrophobicContact CD2-CD1 4.1Å; L178-L306 HydrophobicContact CD2-CD2 4.16Å
179	S	96.6	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.8	-36	175.6	-51.6	0	0	0	0	111.9	I173 K175 L181 A183 Y330	I173-S179 PolarHBondContact O-OG 3.39Å; K175-S179 PolarHBondContact O-N 3.42Å; K175-S179 PolarHBondContact O-OG 2.9Å; K175-S179 VanDerWaalsContact O-OG 3.06Å; S179-L181 PolarHBondContact O-N 3.36Å; S179-A183 WeakPolarHBondContact O-CB 3.31Å; S179-A183 PolarHBondContact O-N 2.83Å; S179-Y330 PolarHBondContact OG-OH 2.84Å
180	K	97.1	Very high	96.5	Very high	123 Å²	123	21.2 Å²	21.2	54%	0.535	11%	0.107	S	C	.	.	H	α-helix	trans	-68.7	-13.9	175.3	-73	173	-176.9	179.7	0	114.7	P176 L178 P184 V357 A361	P176-K180 WeakPolarHBondContact O-CG 3.41Å; P176-K180 PolarHBondContact O-N 3.05Å; L178-K180 PolarHBondContact O-N 2.94Å; K180-P184 WeakPolarHBondContact O-CD 3.31Å; K180-P184 VanDerWaalsContact O-CG 3.23Å; K180-P184 WeakPolarHBondContact O-CG 3.38Å; K180-V357 HydrophobicContact CD-CG1 4.44Å; K180-V357 HydrophobicContact CG-CG1 3.94Å; K180-A361 HydrophobicContact CG-CB 4.32Å
181	L	97.3	Very high	96.5	Very high	39 Å²	39	21.4 Å²	21.4	20%	0.204	11%	0.108	C	C	.	.	H	α-helix	trans	-101.7	-38.6	174.9	-64.2	172.6	0	0	0	111.4	L178 S179 P184 I185 V293 P305 L306	L178-L181 WeakPolarHBondContact O-CA 3.42Å; L178-L181 WeakPolarHBondContact O-CB 2.96Å; L178-L181 PolarHBondContact O-N 3.28Å; S179-L181 PolarHBondContact O-N 3.36Å; L181-P184 WeakPolarHBondContact O-CD 3.25Å; L181-I185 WeakPolarHBondContact O-CD1 3.06Å; L181-I185 WeakPolarHBondContact O-CG1 3.22Å; L181-V293 HydrophobicContact CD1-CB 3.96Å; L181-V293 HydrophobicContact CD1-CG2 3.39Å; L181-P305 HydrophobicContact CD1-CG 3.72Å; L181-L306 HydrophobicContact CB-CD1 3.77Å; L181-L306 HydrophobicContact CB-CG 4.5Å
182	I	97.9	Very high	96.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.7	-47.7	177.1	-65.2	169.5	0	0	0	110.8	L168 I173 L178 I185 V186 F279 L306 F358	L168-I182 HydrophobicContact CD1-CD1 4.03Å; I173-I182 HydrophobicContact CB-CD1 4.05Å; I173-I182 HydrophobicContact CG2-CD1 3.93Å; L178-I182 HydrophobicContact CB-CD1 4.42Å; L178-I182 WeakPolarHBondContact O-CG1 3.44Å; L178-I182 PolarHBondContact O-N 3.48Å; I182-I185 WeakPolarHBondContact O-CB 3.45Å; I182-I185 PolarHBondContact O-N 3.35Å; I182-V186 HydrophobicContact CG2-CG2 4.16Å; I182-V186 WeakPolarHBondContact O-CG2 3.12Å; I182-V186 PolarHBondContact O-N 2.91Å; I182-F279 HydrophobicContact CB-CE1 4.38Å; I182-F279 HydrophobicContact CG1-CD1 4.21Å; I182-F279 HydrophobicContact CG1-CE1 4.26Å; I182-F279 HydrophobicContact CG1-CG 4.49Å; I182-F279 HydrophobicContact CG2-CD1 4.4Å; I182-F279 HydrophobicContact CG2-CE1 3.63Å; I182-F279 HydrophobicContact CG2-CE2 4.03Å; I182-F279 HydrophobicContact CG2-CZ 3.41Å; I182-F279 VanDerWaalsContact CG2-CZ 3.41Å; I182-L306 HydrophobicContact CG1-CD1 3.8Å; I182-F358 HydrophobicContact CB-CE2 4.23Å; I182-F358 HydrophobicContact CG2-CE2 3.77Å; I182-F358 HydrophobicContact CG2-CZ 4.43Å
183	A	98.3	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.7	-43.7	-175	0	0	0	0	0	113.5	S179 I185 V186 A187 F358 A361	S179-A183 WeakPolarHBondContact O-CB 3.31Å; S179-A183 PolarHBondContact O-N 2.83Å; A183-I185 PolarHBondContact O-N 3.13Å; A183-V186 PolarHBondContact O-N 3.02Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 2.92Å; A183-F358 HydrophobicContact CB-CD1 3.95Å; A183-F358 HydrophobicContact CB-CD2 3.76Å; A183-F358 HydrophobicContact CB-CE1 3.87Å; A183-F358 HydrophobicContact CB-CE2 3.71Å; A183-F358 HydrophobicContact CB-CG 3.87Å; A183-F358 HydrophobicContact CB-CZ 3.76Å; A183-F358 VanDerWaalsContact CB-O 3.28Å; A183-F358 WeakPolarHBondContact CB-O 3.42Å; A183-A361 HydrophobicContact CB-CB 3.88Å
184	P	97.3	Very high	95.9	Very high	18 Å²	18	20 Å²	20	12%	0.117	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-38.7	170.7	-29	37	0	0	0	114.5	K180 L181 A187 R188 E365	K180-P184 WeakPolarHBondContact O-CD 3.31Å; K180-P184 VanDerWaalsContact O-CG 3.23Å; K180-P184 WeakPolarHBondContact O-CG 3.38Å; L181-P184 WeakPolarHBondContact O-CD 3.25Å; P184-A187 PolarHBondContact O-N 2.91Å; P184-R188 WeakPolarHBondContact O-CG 3.32Å; P184-R188 PolarHBondContact O-N 2.77Å; P184-E365 HydrophobicContact CB-CB 3.91Å; P184-E365 HydrophobicContact CB-CG 3.79Å; P184-E365 HydrophobicContact CG-CB 4.36Å
185	I	97.2	Very high	95.8	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-47.8	177.6	-65	165.6	0	0	0	110.1	L181 I182 A183 A187 R188 V189 L306 L308	L181-I185 WeakPolarHBondContact O-CD1 3.06Å; L181-I185 WeakPolarHBondContact O-CG1 3.22Å; I182-I185 WeakPolarHBondContact O-CB 3.45Å; I182-I185 PolarHBondContact O-N 3.35Å; A183-I185 PolarHBondContact O-N 3.13Å; I185-A187 VanDerWaalsContact C-N 3.34Å; I185-A187 PolarHBondContact O-N 2.84Å; I185-R188 PolarHBondContact O-N 3.38Å; I185-V189 WeakPolarHBondContact O-CG2 3.32Å; I185-V189 PolarHBondContact O-N 2.92Å; I185-L306 HydrophobicContact CD1-CB 3.74Å; I185-L306 HydrophobicContact CD1-CD1 4.29Å; I185-L308 HydrophobicContact CG2-CB 4.01Å; I185-L308 HydrophobicContact CG2-CD2 4.15Å
186	V	97.8	Very high	95.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-43.2	177.4	-179.3	0	0	0	0	110.8	I182 A183 R188 V189 H190 L274 F279 F358 Y362	I182-V186 HydrophobicContact CG2-CG2 4.16Å; I182-V186 WeakPolarHBondContact O-CG2 3.12Å; I182-V186 PolarHBondContact O-N 2.91Å; A183-V186 PolarHBondContact O-N 3.02Å; V186-R188 PolarHBondContact O-N 2.71Å; V186-V189 PolarHBondContact O-N 3.1Å; V186-H190 VanDerWaalsContact CG1-CE1 3.49Å; V186-H190 WeakPolarHBondContact CG1-CE1 3.45Å; V186-H190 PolarHBondContact O-CD2 3.38Å; V186-H190 VanDerWaalsContact O-CG 3.31Å; V186-H190 PolarHBondContact O-N 2.9Å; V186-L274 HydrophobicContact CG1-CD1 3.85Å; V186-L274 HydrophobicContact CG2-CD1 3.75Å; V186-L274 HydrophobicContact CG2-CD2 4.09Å; V186-F279 HydrophobicContact CG2-CZ 4.45Å; V186-F358 HydrophobicContact CG2-CZ 4.31Å; V186-Y362 HydrophobicContact CB-CD2 4.44Å; V186-Y362 HydrophobicContact CG1-CD2 4.37Å; V186-Y362 HydrophobicContact CG1-CE2 4.12Å
187	A	97.1	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-45.2	175.1	0	0	0	0	0	112.3	A183 P184 I185 V189 H190 T191 Y362 E365 V366	A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 2.92Å; P184-A187 PolarHBondContact O-N 2.91Å; I185-A187 VanDerWaalsContact C-N 3.34Å; I185-A187 PolarHBondContact O-N 2.84Å; A187-V189 PolarHBondContact O-N 3.31Å; A187-H190 PolarHBondContact O-N 2.85Å; A187-T191 VanDerWaalsContact O-CG2 3.3Å; A187-T191 WeakPolarHBondContact O-CG2 3.42Å; A187-T191 PolarHBondContact O-N 3.3Å; A187-T191 VanDerWaalsContact O-N 3.12Å; A187-Y362 VanDerWaalsContact CA-CE2 3.42Å; A187-Y362 HydrophobicContact CB-CD2 3.69Å; A187-Y362 HydrophobicContact CB-CE2 3.75Å; A187-Y362 HydrophobicContact CB-CG 4.27Å; A187-E365 HydrophobicContact CB-CB 3.8Å; A187-E365 HydrophobicContact CB-CG 3.93Å; A187-V366 HydrophobicContact CB-CG2 3.76Å
188	R	95.5	Very high	95.1	Very high	36 Å²	36	28.3 Å²	28.3	14%	0.136	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-43.1	177.3	-71.6	-171.8	-66	-105.7	17	111.6	L146 P184 I185 V186 T191 D304 E365 M369	L146-R188 HydrophobicContact CD1-CB 4.22Å; L146-R188 HydrophobicContact CD2-CB 3.74Å; P184-R188 WeakPolarHBondContact O-CG 3.32Å; P184-R188 PolarHBondContact O-N 2.77Å; I185-R188 PolarHBondContact O-N 3.38Å; V186-R188 PolarHBondContact O-N 2.71Å; R188-T191 PolarHBondContact O-N 3.27Å; R188-T191 PolarHBondContact O-OG1 3.45Å; R188-D304 IonicContact NH2-OD1 3.92Å; R188-D304 PolarHBondContact NH2-OD1 3.42Å; R188-D304 VanDerWaalsContact NH2-OD1 3.11Å; R188-D304 IonicContact NH2-OD2 3.8Å; R188-D304 PolarHBondContact NH2-OD2 3.05Å; R188-E365 WeakPolarHBondContact CD-OE1 3.24Å; R188-E365 HydrophobicContact CG-CG 4.04Å; R188-E365 WeakPolarHBondContact CG-OE1 3.48Å; R188-E365 IonicContact CZ-OE1 3.67Å; R188-E365 IonicContact NH1-OE1 3.14Å; R188-E365 PolarHBondContact NH1-OE1 3.43Å; R188-M369 HydrophobicContact CG-CE 4.37Å; R188-M369 HydrophobicContact CG-CG 4.45Å; R188-M369 HydrophobicContact CG-SD 4.14Å
189	V	95.8	Very high	95	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-48.6	174.2	172.9	0	0	0	0	111.1	L141 L146 I185 V186 A187 T191 L192 F269 L308	L141-V189 HydrophobicContact CD2-CG2 4.36Å; L146-V189 HydrophobicContact CD1-CG2 4.39Å; I185-V189 WeakPolarHBondContact O-CG2 3.32Å; I185-V189 PolarHBondContact O-N 2.92Å; V186-V189 PolarHBondContact O-N 3.1Å; A187-V189 PolarHBondContact O-N 3.31Å; V189-T191 PolarHBondContact O-N 2.9Å; V189-T191 VanDerWaalsContact O-N 3.11Å; V189-L192 WeakPolarHBondContact O-CB 3.12Å; V189-L192 WeakPolarHBondContact O-CG 3.35Å; V189-L192 PolarHBondContact O-N 3.39Å; V189-F269 HydrophobicContact CG1-CD1 3.83Å; V189-F269 HydrophobicContact CG1-CE1 4Å; V189-L308 HydrophobicContact CG2-CD2 3.93Å
190	H	96.1	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-20.3	179.2	-69.7	-178.9	0	0	0	114.1	V186 A187 V268 F269 D322 Y362	V186-H190 VanDerWaalsContact CG1-CE1 3.49Å; V186-H190 WeakPolarHBondContact CG1-CE1 3.45Å; V186-H190 PolarHBondContact O-CD2 3.38Å; V186-H190 VanDerWaalsContact O-CG 3.31Å; V186-H190 PolarHBondContact O-N 2.9Å; A187-H190 PolarHBondContact O-N 2.85Å; H190-V268 HydrophobicContact CB-CB 4.04Å; H190-V268 HydrophobicContact CB-CG1 4.33Å; H190-V268 HydrophobicContact CB-CG2 3.97Å; H190-F269 WeakPolarHBondContact CA-O 3.21Å; H190-F269 PolarHBondContact CD2-O 3.16Å; H190-F269 VanDerWaalsContact CD2-O 3.31Å; H190-D322 IonicContact CD2-OD2 3.76Å; H190-D322 WeakPolarHBondContact NE2-CB 3.37Å; H190-D322 IonicContact NE2-OD2 3.15Å; H190-D322 PolarHBondContact NE2-OD2 2.59Å; H190-Y362 AromaticContact ND1-CE2 3.41Å; H190-Y362 WeakPolarHBondContact ND1-CE2 3.48Å; H190-Y362 AromaticContact ND1-CZ 3.51Å; H190-Y362 PolarHBondContact ND1-OH 3.21Å
191	T	93.6	Very high	94.5	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.025	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.4	175.4	64.9	0	0	0	0	113.6	A187 R188 V189 M369 N375 F378 L382	A187-T191 VanDerWaalsContact O-CG2 3.3Å; A187-T191 WeakPolarHBondContact O-CG2 3.42Å; A187-T191 PolarHBondContact O-N 3.3Å; A187-T191 VanDerWaalsContact O-N 3.12Å; R188-T191 PolarHBondContact O-N 3.27Å; R188-T191 PolarHBondContact O-OG1 3.45Å; V189-T191 PolarHBondContact O-N 2.9Å; V189-T191 VanDerWaalsContact O-N 3.11Å; T191-M369 HydrophobicContact CG2-CB 4.1Å; T191-M369 HydrophobicContact CG2-CG 4.43Å; T191-N375 PolarHBondContact O-ND2 3.49Å; T191-F378 HydrophobicContact CG2-CD2 4.07Å; T191-F378 HydrophobicContact CG2-CE2 3.55Å; T191-F378 HydrophobicContact CG2-CZ 4.37Å; T191-L382 HydrophobicContact CG2-CD2 3.94Å
192	L	92.4	Very high	94.1	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.052	17%	0.169	C	C	.	.			trans	-78.3	145.1	176.8	-63.8	176.8	0	0	0	112	L140 L141 R144 L146 V189 F269	L140-L192 HydrophobicContact CD2-CB 4.38Å; L140-L192 HydrophobicContact CD2-CD1 4.31Å; L141-L192 HydrophobicContact CD2-CD1 3.46Å; L141-L192 VanDerWaalsContact CD2-CD1 3.46Å; L141-L192 HydrophobicContact CG-CD1 4.44Å; R144-L192 HydrophobicContact CB-CD2 4.41Å; R144-L192 HydrophobicContact CG-CD2 3.9Å; L146-L192 HydrophobicContact CD1-CD1 3.78Å; L146-L192 HydrophobicContact CD1-CD2 4Å; L146-L192 HydrophobicContact CD1-CG 4.15Å; V189-L192 WeakPolarHBondContact O-CB 3.12Å; V189-L192 WeakPolarHBondContact O-CG 3.35Å; V189-L192 PolarHBondContact O-N 3.39Å; L192-F269 HydrophobicContact CB-CD1 3.98Å; L192-F269 HydrophobicContact CD1-CD1 3.94Å; L192-F269 HydrophobicContact CD1-CE1 4.04Å
193	D	90.9	Very high	93.9	Very high	60 Å²	60	32.6 Å²	32.6	32%	0.321	17%	0.174	S	C	.	.			trans	-102.9	91.7	166	-176.6	23.4	0	0	0	109.2	K198 Y316 H377	D193-K198 IonicContact OD1-NZ 3.74Å; D193-Y316 WeakPolarHBondContact CA-OH 3.08Å; D193-Y316 PolarHBondContact OD1-OH 3.48Å; D193-H377 HydrophobicContact CB-CB 4.04Å; D193-H377 IonicContact OD2-CD2 2.79Å; D193-H377 PolarHBondContact OD2-CD2 2.87Å; D193-H377 IonicContact OD2-CG 2.8Å
194	A	91.8	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.			trans	-88.9	131	-178.2	0	0	0	0	0	110.4	L140 I196 K198 F269 Y316	L140-A194 HydrophobicContact CD2-CB 3.49Å; L140-A194 VanDerWaalsContact CD2-CB 3.49Å; A194-I196 HydrophobicContact CB-CD1 4.41Å; A194-I196 HydrophobicContact CB-CG1 4.1Å; A194-I196 PolarHBondContact O-N 3.26Å; A194-K198 PolarHBondContact O-NZ 3.3Å; A194-F269 HydrophobicContact CB-CD1 4.45Å; A194-F269 HydrophobicContact CB-CD2 3.58Å; A194-F269 HydrophobicContact CB-CE2 3.83Å; A194-F269 HydrophobicContact CB-CG 3.92Å; A194-F269 HydrophobicContact CB-CZ 4.37Å; A194-Y316 HydrophobicContact CB-CE2 4.07Å; A194-Y316 PolarHBondContact N-OH 3.08Å; A194-Y316 WeakPolarHBondContact O-CE2 3.44Å; A194-Y316 PolarHBondContact O-OH 2.94Å
195	P	92.3	Very high	93.6	Very high	99 Å²	99	38.2 Å²	38.2	64%	0.643	20%	0.201	S	C	*	.	S	Bend	trans	-80.1	55.9	-175.6	32.4	-33.8	0	0	0	113	V136	V136-P195 HydrophobicContact CG1-CG 3.61Å
196	I	91.9	Very high	93.6	Very high	20 Å²	20	38 Å²	38	10%	0.103	20%	0.2	C	C	.	.	S	Bend	trans	-123	172.9	176	64.7	171.8	0	0	0	109.8	V136 V137 A194 K198 F269 Y316	V136-I196 HydrophobicContact CG1-CG2 4.11Å; V137-I196 HydrophobicContact CG2-CD1 4.09Å; V137-I196 HydrophobicContact CG2-CG2 4.32Å; A194-I196 HydrophobicContact CB-CD1 4.41Å; A194-I196 HydrophobicContact CB-CG1 4.1Å; A194-I196 PolarHBondContact O-N 3.26Å; I196-K198 PolarHBondContact O-N 2.95Å; I196-K198 PolarHBondContact O-NZ 3.49Å; I196-F269 HydrophobicContact CD1-CD2 3.96Å; I196-F269 HydrophobicContact CD1-CE2 3.72Å; I196-Y316 HydrophobicContact CD1-CD2 4.19Å; I196-Y316 HydrophobicContact CD1-CE2 4.48Å; I196-Y316 HydrophobicContact CG1-CD2 3.79Å; I196-Y316 HydrophobicContact CG1-CE2 3.84Å
197	P	92.1	Very high	93.6	Very high	83 Å²	83	40.8 Å²	40.8	54%	0.539	21%	0.21	S	C	.	.			trans	-52.4	133.9	176.4	-28.3	37.2	0	0	0	112.6	Y316	P197-Y316 VanDerWaalsContact O-CD2 3.23Å; P197-Y316 WeakPolarHBondContact O-CD2 3.46Å
198	K	92.2	Very high	93.5	Very high	92 Å²	92	45.7 Å²	45.7	40%	0.4	23%	0.233	S	C	.	.			trans	-89.9	-14.3	-172.9	-59.7	-66.4	-176.9	-86.5	0	114.1	D193 A194 I196 V267 Y316	D193-K198 IonicContact OD1-NZ 3.74Å; A194-K198 PolarHBondContact O-NZ 3.3Å; I196-K198 PolarHBondContact O-N 2.95Å; I196-K198 PolarHBondContact O-NZ 3.49Å; K198-V267 WeakPolarHBondContact O-CG1 3.42Å; K198-Y316 HydrophobicContact CD-CD1 3.96Å; K198-Y316 HydrophobicContact CD-CD2 3.84Å; K198-Y316 HydrophobicContact CD-CE1 3.57Å; K198-Y316 HydrophobicContact CD-CE2 3.45Å; K198-Y316 VanDerWaalsContact CD-CE2 3.45Å; K198-Y316 HydrophobicContact CD-CG 4.07Å; K198-Y316 WeakPolarHBondContact CE-OH 3.23Å; K198-Y316 VanDerWaalsContact O-CB 3.29Å; K198-Y316 WeakPolarHBondContact O-CB 3.13Å
199	E	93.2	Very high	93.6	Very high	144 Å²	144	45.3 Å²	45.3	67%	0.673	23%	0.232	S	C	*	.	S	Bend	trans	-74.6	140.1	178.5	-64.6	-59.1	145.3	0	0	111	Q201	E199-Q201 PolarHBondContact O-N 3.27Å; E199-Q201 PolarHBondContact O-NE2 3.39Å
200	P	94.6	Very high	93.7	Very high	32 Å²	32	45.3 Å²	45.3	21%	0.208	23%	0.232	C	C	.	.			trans	-63.9	126.1	-178	26	-33.6	0	0	0	112.1	V267 Y316 Y318	P200-V267 HydrophobicContact CG-CG2 4.35Å; P200-Y316 WeakPolarHBondContact CA-O 3.39Å; P200-Y318 HydrophobicContact CB-CD2 3.88Å; P200-Y318 HydrophobicContact CB-CE2 3.51Å; P200-Y318 HydrophobicContact CG-CD2 4.48Å; P200-Y318 HydrophobicContact CG-CE2 3.68Å
201	Q	90.3	Very high	93.8	Very high	49 Å²	49	49 Å²	49	23%	0.229	25%	0.249	C	C	.	.			trans	-93.6	-17.8	-171.7	-62.8	-68	-47.3	0	0	115.2	E199 L203 Q204 T205 Y316	E199-Q201 PolarHBondContact O-N 3.27Å; E199-Q201 PolarHBondContact O-NE2 3.39Å; Q201-L203 PolarHBondContact O-N 2.97Å; Q201-L203 VanDerWaalsContact O-N 3.15Å; Q201-Q204 WeakPolarHBondContact O-CB 3.3Å; Q201-Q204 PolarHBondContact O-N 3.1Å; Q201-Q204 VanDerWaalsContact O-N 3.07Å; Q201-T205 PolarHBondContact O-N 2.81Å; Q201-T205 PolarHBondContact O-OG1 2.87Å; Q201-Y316 PolarHBondContact N-O 2.86Å
202	T	88.5	Confident	93.9	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-46.8	-52.4	-170.1	-70.9	0	0	0	0	114.6	T205 A206 N317 F321 V404 F408	T202-T205 PolarHBondContact O-N 3.31Å; T202-A206 PolarHBondContact O-N 2.96Å; T202-N317 PolarHBondContact OG1-ND2 2.57Å; T202-N317 PolarHBondContact OG1-OD1 3.3Å; T202-F321 HydrophobicContact CG2-CD2 3.7Å; T202-F321 HydrophobicContact CG2-CE2 3.44Å; T202-F321 VanDerWaalsContact CG2-CE2 3.44Å; T202-F321 HydrophobicContact CG2-CG 4.47Å; T202-F321 HydrophobicContact CG2-CZ 4.05Å; T202-V404 HydrophobicContact CG2-CG1 4.45Å; T202-F408 HydrophobicContact CG2-CB 4.39Å; T202-F408 HydrophobicContact CG2-CD2 3.5Å; T202-F408 HydrophobicContact CG2-CE2 4.05Å; T202-F408 HydrophobicContact CG2-CG 4.21Å; T202-F408 WeakPolarHBondContact O-CD2 3.27Å; T202-F408 WeakPolarHBondContact O-CE2 3.33Å
203	L	94.1	Very high	94.2	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-71.8	-37.2	-174.1	-170.1	73.2	0	0	0	111.6	Q201 T205 A206 R207 L253 E257 L260	Q201-L203 PolarHBondContact O-N 2.97Å; Q201-L203 VanDerWaalsContact O-N 3.15Å; L203-T205 VanDerWaalsContact C-N 3.35Å; L203-A206 PolarHBondContact O-N 3.47Å; L203-R207 WeakPolarHBondContact O-CB 3.37Å; L203-R207 VanDerWaalsContact O-CG 3.29Å; L203-R207 WeakPolarHBondContact O-CG 3.42Å; L203-R207 PolarHBondContact O-N 3.35Å; L203-L253 HydrophobicContact CD1-CB 4.2Å; L203-L253 HydrophobicContact CD1-CD2 3.98Å; L203-E257 HydrophobicContact CD2-CB 3.39Å; L203-E257 HydrophobicContact CD2-CG 3.38Å; L203-L260 HydrophobicContact CB-CD1 4.44Å
204	Q	94.4	Very high	94.5	Very high	103 Å²	103	55 Å²	55	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-47.2	176.3	-180	175.8	-4	0	0	110.5	Q201 R207 Q208	Q201-Q204 WeakPolarHBondContact O-CB 3.3Å; Q201-Q204 PolarHBondContact O-N 3.1Å; Q201-Q204 VanDerWaalsContact O-N 3.07Å; Q204-R207 PolarHBondContact O-N 3.29Å; Q204-Q208 VanDerWaalsContact O-CG 3.31Å; Q204-Q208 WeakPolarHBondContact O-CG 3.35Å; Q204-Q208 PolarHBondContact O-N 2.9Å
205	T	93.8	Very high	94.7	Very high	32 Å²	32	62.9 Å²	62.9	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-46.9	177.1	-54.7	0	0	0	0	111.9	Q201 T202 L203 R207 Q208 W209 F408	Q201-T205 PolarHBondContact O-N 2.81Å; Q201-T205 PolarHBondContact O-OG1 2.87Å; T202-T205 PolarHBondContact O-N 3.31Å; L203-T205 VanDerWaalsContact C-N 3.35Å; T205-R207 VanDerWaalsContact C-N 3.33Å; T205-R207 PolarHBondContact O-N 3.49Å; T205-Q208 WeakPolarHBondContact O-CB 3.37Å; T205-Q208 PolarHBondContact O-N 3.35Å; T205-Q208 VanDerWaalsContact O-N 3.16Å; T205-W209 HydrophobicContact CG2-CD2 4.07Å; T205-W209 HydrophobicContact CG2-CE3 4.13Å; T205-W209 HydrophobicContact CG2-CH2 3.48Å; T205-W209 VanDerWaalsContact CG2-CH2 3.48Å; T205-W209 HydrophobicContact CG2-CZ2 3.36Å; T205-W209 HydrophobicContact CG2-CZ3 3.85Å; T205-W209 PolarHBondContact O-N 3.48Å; T205-F408 HydrophobicContact CG2-CE2 4.13Å; T205-F408 HydrophobicContact CG2-CZ 4.29Å
206	A	97	Very high	94.9	Very high	2 Å²	2	59 Å²	59	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-43	176.9	0	0	0	0	0	112.4	T202 L203 Q208 W209 L210 L253 F408 C411	T202-A206 PolarHBondContact O-N 2.96Å; L203-A206 PolarHBondContact O-N 3.47Å; A206-Q208 PolarHBondContact O-N 3.08Å; A206-W209 PolarHBondContact O-N 3.02Å; A206-L210 PolarHBondContact O-N 3.4Å; A206-L253 HydrophobicContact CB-CD2 4.27Å; A206-F408 HydrophobicContact CB-CD2 3.97Å; A206-C411 HydrophobicContact CB-CB 4.19Å; A206-C411 WeakPolarHBondContact O-CB 3.38Å
207	R	97.9	Very high	95.1	Very high	61 Å²	61	62.3 Å²	62.3	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-38.9	176.2	-73.2	-179	-172.6	-70.2	6.1	112	L203 Q204 T205 L210 E211 L253 N254 E257	L203-R207 WeakPolarHBondContact O-CB 3.37Å; L203-R207 VanDerWaalsContact O-CG 3.29Å; L203-R207 WeakPolarHBondContact O-CG 3.42Å; L203-R207 PolarHBondContact O-N 3.35Å; Q204-R207 PolarHBondContact O-N 3.29Å; T205-R207 VanDerWaalsContact C-N 3.33Å; T205-R207 PolarHBondContact O-N 3.49Å; R207-L210 PolarHBondContact O-N 2.87Å; R207-E211 WeakPolarHBondContact O-CB 3.36Å; R207-E211 WeakPolarHBondContact O-CG 3.22Å; R207-E211 PolarHBondContact O-N 3.39Å; R207-L253 HydrophobicContact CG-CD1 3.98Å; R207-N254 PolarHBondContact NH1-OD1 3.29Å; R207-N254 VanDerWaalsContact NH1-OD1 3.16Å; R207-N254 PolarHBondContact NH2-OD1 3.02Å; R207-E257 IonicContact CZ-OE2 3.49Å; R207-E257 IonicContact NH2-OE2 3.18Å; R207-E257 PolarHBondContact NH2-OE2 3Å
208	Q	96.3	Very high	95.2	Very high	102 Å²	102	59.8 Å²	59.8	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-43.7	175.7	-73.8	168.9	-9.8	0	0	111.9	Q204 T205 A206 E211 R212	Q204-Q208 VanDerWaalsContact O-CG 3.31Å; Q204-Q208 WeakPolarHBondContact O-CG 3.35Å; Q204-Q208 PolarHBondContact O-N 2.9Å; T205-Q208 WeakPolarHBondContact O-CB 3.37Å; T205-Q208 PolarHBondContact O-N 3.35Å; T205-Q208 VanDerWaalsContact O-N 3.16Å; A206-Q208 PolarHBondContact O-N 3.08Å; Q208-E211 PolarHBondContact O-N 2.91Å; Q208-R212 WeakPolarHBondContact O-CG 3.39Å; Q208-R212 PolarHBondContact O-N 3.21Å; Q208-R212 VanDerWaalsContact O-N 3.08Å
209	W	97.3	Very high	95.3	Very high	29 Å²	29	55.8 Å²	55.8	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-43.6	174.8	-64.7	-35.8	0	0	0	112.3	T205 A206 E211 R212 F213 Y313 F408 C411 W412 I415	T205-W209 HydrophobicContact CG2-CD2 4.07Å; T205-W209 HydrophobicContact CG2-CE3 4.13Å; T205-W209 HydrophobicContact CG2-CH2 3.48Å; T205-W209 VanDerWaalsContact CG2-CH2 3.48Å; T205-W209 HydrophobicContact CG2-CZ2 3.36Å; T205-W209 HydrophobicContact CG2-CZ3 3.85Å; T205-W209 PolarHBondContact O-N 3.48Å; A206-W209 PolarHBondContact O-N 3.02Å; W209-E211 VanDerWaalsContact C-N 3.35Å; W209-E211 PolarHBondContact O-N 3.44Å; W209-R212 WeakPolarHBondContact O-CB 3.11Å; W209-R212 PolarHBondContact O-N 3.34Å; W209-F213 PolarHBondContact O-N 3.12Å; W209-Y313 HydrophobicContact CH2-CE1 4.25Å; W209-Y313 HydrophobicContact CZ2-CE1 4.09Å; W209-F408 AromaticContact CH2-CE1 3.67Å; W209-F408 HydrophobicContact CH2-CE1 3.67Å; W209-F408 AromaticContact CH2-CE2 3.98Å; W209-F408 HydrophobicContact CH2-CE2 3.98Å; W209-F408 AromaticContact CH2-CZ 3.34Å; W209-F408 HydrophobicContact CH2-CZ 3.34Å; W209-F408 HydrophobicContact CZ3-CD1 4.05Å; W209-F408 HydrophobicContact CZ3-CD2 4.07Å; W209-F408 AromaticContact CZ3-CE1 3.57Å; W209-F408 HydrophobicContact CZ3-CE1 3.57Å; W209-F408 AromaticContact CZ3-CE2 3.61Å; W209-F408 HydrophobicContact CZ3-CE2 3.61Å; W209-F408 HydrophobicContact CZ3-CG 4.29Å; W209-F408 AromaticContact CZ3-CZ 3.35Å; W209-F408 HydrophobicContact CZ3-CZ 3.35Å; W209-C411 HydrophobicContact CB-CB 4.17Å; W209-C411 HydrophobicContact CE3-CB 4.33Å; W209-W412 HydrophobicContact CD2-CB 4.14Å; W209-W412 HydrophobicContact CE3-CB 3.62Å; W209-W412 HydrophobicContact CH2-CB 4.08Å; W209-W412 AromaticContact CH2-CD1 3.83Å; W209-W412 HydrophobicContact CH2-CG 4.31Å; W209-W412 AromaticContact CZ2-CD1 3.75Å; W209-W412 HydrophobicContact CZ3-CB 3.6Å; W209-W412 HydrophobicContact CZ3-CG 4.31Å; W209-I415 HydrophobicContact CB-CG2 3.92Å; W209-I415 HydrophobicContact CG-CG2 4.1Å
210	L	97.9	Very high	95.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-40.8	177.6	-173	62.7	0	0	0	112.1	A206 R207 R212 F213 K214 V246 L249 E250 L253	A206-L210 PolarHBondContact O-N 3.4Å; R207-L210 PolarHBondContact O-N 2.87Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 3.28Å; L210-F213 HydrophobicContact CD1-CD1 4.32Å; L210-F213 PolarHBondContact O-N 3.48Å; L210-K214 WeakPolarHBondContact O-CB 3.07Å; L210-K214 PolarHBondContact O-N 3.46Å; L210-V246 HydrophobicContact CD1-CG1 4.11Å; L210-V246 HydrophobicContact CD1-CG2 4.49Å; L210-V246 HydrophobicContact CD2-CG1 4.41Å; L210-V246 HydrophobicContact CG-CG1 4.11Å; L210-L249 HydrophobicContact CD1-CB 4.34Å; L210-L249 HydrophobicContact CD1-CD1 4.02Å; L210-L249 HydrophobicContact CD2-CB 4.03Å; L210-E250 HydrophobicContact CD2-CG 3.82Å; L210-L253 HydrophobicContact CD2-CD1 3.6Å
211	E	97.3	Very high	95.4	Very high	77 Å²	77	63.4 Å²	63.4	36%	0.36	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-29.9	176.1	-82.4	-64.2	136.1	0	0	113	R207 Q208 W209 K214 K215	R207-E211 WeakPolarHBondContact O-CB 3.36Å; R207-E211 WeakPolarHBondContact O-CG 3.22Å; R207-E211 PolarHBondContact O-N 3.39Å; Q208-E211 PolarHBondContact O-N 2.91Å; W209-E211 VanDerWaalsContact C-N 3.35Å; W209-E211 PolarHBondContact O-N 3.44Å; E211-K214 WeakPolarHBondContact OE1-CD 3.48Å; E211-K214 IonicContact OE1-NZ 2.91Å; E211-K214 PolarHBondContact OE1-NZ 3.1Å; E211-K215 WeakPolarHBondContact O-CE 3.4Å; E211-K215 WeakPolarHBondContact O-CG 3.27Å
212	R	96.9	Very high	95.7	Very high	112 Å²	112	64.6 Å²	64.6	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-70.9	-47.9	170	-70.8	172.5	64.5	-169.4	-0	110.8	Q208 W209 L210 K214 K215 I415 E419	Q208-R212 WeakPolarHBondContact O-CG 3.39Å; Q208-R212 PolarHBondContact O-N 3.21Å; Q208-R212 VanDerWaalsContact O-N 3.08Å; W209-R212 WeakPolarHBondContact O-CB 3.11Å; W209-R212 PolarHBondContact O-N 3.34Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 3.28Å; R212-K214 VanDerWaalsContact C-N 3.29Å; R212-K214 PolarHBondContact O-N 3.23Å; R212-K215 WeakPolarHBondContact O-CB 3.34Å; R212-K215 PolarHBondContact O-N 2.89Å; R212-I415 HydrophobicContact CB-CD1 3.75Å; R212-I415 HydrophobicContact CB-CG1 4.05Å; R212-E419 IonicContact CZ-OE1 2.89Å; R212-E419 IonicContact CZ-OE2 2.77Å; R212-E419 IonicContact NE-OE1 3.41Å; R212-E419 IonicContact NH2-OE1 3.6Å; R212-E419 PolarHBondContact NH2-OE1 3.25Å; R212-E419 IonicContact NH2-OE2 3.77Å; R212-E419 PolarHBondContact NH2-OE2 3.37Å
213	F	97.5	Very high	96.1	Very high	5 Å²	5	65.5 Å²	65.5	2%	0.022	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-40.8	178.6	175.7	-107.4	0	0	0	112	W209 L210 K215 T216 A218 I223 V246 L414 I415 E418	W209-F213 PolarHBondContact O-N 3.12Å; L210-F213 HydrophobicContact CD1-CD1 4.32Å; L210-F213 PolarHBondContact O-N 3.48Å; F213-K215 PolarHBondContact O-N 3.01Å; F213-K215 VanDerWaalsContact O-N 3.08Å; F213-T216 WeakPolarHBondContact O-CB 3.3Å; F213-T216 WeakPolarHBondContact O-CG2 3.46Å; F213-T216 PolarHBondContact O-N 3.45Å; F213-T216 PolarHBondContact O-OG1 3.04Å; F213-A218 HydrophobicContact CE2-CB 3.87Å; F213-A218 HydrophobicContact CZ-CB 4.1Å; F213-I223 HydrophobicContact CE1-CD1 4.03Å; F213-I223 HydrophobicContact CZ-CD1 4.28Å; F213-I223 HydrophobicContact CZ-CG1 4.48Å; F213-V246 HydrophobicContact CD1-CG2 4.01Å; F213-V246 HydrophobicContact CE1-CG2 4.01Å; F213-L414 HydrophobicContact CB-CB 4.41Å; F213-L414 HydrophobicContact CD1-CB 4.07Å; F213-L414 HydrophobicContact CD1-CD1 4.15Å; F213-L414 HydrophobicContact CD2-CB 3.78Å; F213-L414 WeakPolarHBondContact CD2-O 3.39Å; F213-L414 HydrophobicContact CE1-CB 4.29Å; F213-L414 HydrophobicContact CE1-CD1 4.11Å; F213-L414 HydrophobicContact CE1-CD2 4.39Å; F213-L414 HydrophobicContact CE2-CB 4.01Å; F213-L414 HydrophobicContact CE2-CD2 4.43Å; F213-L414 WeakPolarHBondContact CE2-O 3.28Å; F213-L414 HydrophobicContact CG-CB 3.81Å; F213-L414 HydrophobicContact CZ-CB 4.26Å; F213-L414 HydrophobicContact CZ-CD2 4.11Å; F213-I415 HydrophobicContact CB-CB 4.4Å; F213-I415 HydrophobicContact CB-CD1 4.44Å; F213-E418 HydrophobicContact CD2-CG 4.09Å; F213-E418 HydrophobicContact CE2-CG 4.07Å
214	K	96.9	Very high	96.1	Very high	84 Å²	84	70.7 Å²	70.7	37%	0.365	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.2	175.3	-174.7	177.6	-176.9	169.2	0	114.3	L210 E211 R212 T216 V246 E250	L210-K214 WeakPolarHBondContact O-CB 3.07Å; L210-K214 PolarHBondContact O-N 3.46Å; E211-K214 WeakPolarHBondContact OE1-CD 3.48Å; E211-K214 IonicContact OE1-NZ 2.91Å; E211-K214 PolarHBondContact OE1-NZ 3.1Å; R212-K214 VanDerWaalsContact C-N 3.29Å; R212-K214 PolarHBondContact O-N 3.23Å; K214-T216 VanDerWaalsContact C-N 3.35Å; K214-V246 HydrophobicContact CB-CG1 4.09Å; K214-V246 HydrophobicContact CD-CG1 4.01Å; K214-V246 HydrophobicContact CG-CG1 4.01Å; K214-E250 IonicContact NZ-OE1 2.95Å; K214-E250 PolarHBondContact NZ-OE1 3.24Å
215	K	96.4	Very high	96.1	Very high	164 Å²	164	66.6 Å²	66.6	71%	0.713	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.1	179.7	-62.4	171	-171.9	174.3	0	113.1	E211 R212 F213	E211-K215 WeakPolarHBondContact O-CE 3.4Å; E211-K215 WeakPolarHBondContact O-CG 3.27Å; R212-K215 WeakPolarHBondContact O-CB 3.34Å; R212-K215 PolarHBondContact O-N 2.89Å; F213-K215 PolarHBondContact O-N 3.01Å; F213-K215 VanDerWaalsContact O-N 3.08Å
216	T	96.8	Very high	96	Very high	18 Å²	18	70.9 Å²	70.9	11%	0.11	33%	0.331	C	S	.	.	S	Bend	trans	-90.6	157.1	176	72.2	0	0	0	0	110.6	F213 K214 A218 G219 I415 E418	F213-T216 WeakPolarHBondContact O-CB 3.3Å; F213-T216 WeakPolarHBondContact O-CG2 3.46Å; F213-T216 PolarHBondContact O-N 3.45Å; F213-T216 PolarHBondContact O-OG1 3.04Å; K214-T216 VanDerWaalsContact C-N 3.35Å; T216-A218 PolarHBondContact O-N 3.49Å; T216-G219 PolarHBondContact O-N 3.27Å; T216-G219 VanDerWaalsContact O-N 3.08Å; T216-G219 PolarHBondContact OG1-N 2.85Å; T216-G219 VanDerWaalsContact OG1-N 3.16Å; T216-I415 HydrophobicContact CG2-CD1 4.36Å; T216-E418 HydrophobicContact CG2-CB 4.13Å; T216-E418 HydrophobicContact CG2-CG 4.03Å
217	P	95.3	Very high	95.8	Very high	90 Å²	90	73 Å²	73	58%	0.584	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.4	173.8	-24.9	35.2	0	0	0	113.9
218	A	94.7	Very high	95.7	Very high	29 Å²	29	73 Å²	73	24%	0.24	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.2	175.2	0	0	0	0	0	112	F213 T216 E220 R221 E418	F213-A218 HydrophobicContact CE2-CB 3.87Å; F213-A218 HydrophobicContact CZ-CB 4.1Å; T216-A218 PolarHBondContact O-N 3.49Å; A218-E220 PolarHBondContact O-N 3.31Å; A218-R221 PolarHBondContact O-N 2.94Å; A218-R221 VanDerWaalsContact O-N 3.16Å; A218-E418 VanDerWaalsContact CB-CD 3.43Å; A218-E418 HydrophobicContact CB-CG 4.31Å; A218-E418 VanDerWaalsContact CB-OE1 3.24Å; A218-E418 WeakPolarHBondContact CB-OE1 3.42Å; A218-E418 WeakPolarHBondContact CB-OE2 3.46Å
219	G	94.9	Very high	95.7	Very high	9 Å²	9	70.8 Å²	70.8	9%	0.093	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.1	178.5	0	0	0	0	0	115	T216 R221 V246	T216-G219 PolarHBondContact O-N 3.27Å; T216-G219 VanDerWaalsContact O-N 3.08Å; T216-G219 PolarHBondContact OG1-N 2.85Å; T216-G219 VanDerWaalsContact OG1-N 3.16Å; G219-R221 VanDerWaalsContact C-N 3.27Å; G219-R221 PolarHBondContact O-N 2.86Å; G219-V246 WeakPolarHBondContact O-CG2 3.38Å
220	E	94.1	Very high	95.5	Very high	160 Å²	160	69.8 Å²	69.8	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.9	175.5	-64.3	-176.8	172.5	0	0	113.3	A218	A218-E220 PolarHBondContact O-N 3.31Å
221	R	95.5	Very high	95.2	Very high	175 Å²	175	77.3 Å²	77.3	66%	0.66	37%	0.368	S	S	*	.	S	Bend	trans	-111.9	151.5	-172.9	-59	-179.9	-172.5	170.8	4.9	111.1	A218 G219 I223	A218-R221 PolarHBondContact O-N 2.94Å; A218-R221 VanDerWaalsContact O-N 3.16Å; G219-R221 VanDerWaalsContact C-N 3.27Å; G219-R221 PolarHBondContact O-N 2.86Å; R221-I223 PolarHBondContact O-N 2.9Å
222	P	96.8	Very high	94.6	Very high	75 Å²	75	74.4 Å²	74.4	49%	0.487	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.6	133.5	166.8	-19.3	31.4	0	0	0	110.6	T245	P222-T245 HydrophobicContact CB-CG2 4.18Å; P222-T245 HydrophobicContact CG-CG2 4.13Å
223	I	96.1	Very high	93.7	Very high	24 Å²	24	72.2 Å²	72.2	12%	0.123	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.6	172.3	-60	157.7	0	0	0	107.4	F213 R221 T243 I244 L249 L414 R431	F213-I223 HydrophobicContact CE1-CD1 4.03Å; F213-I223 HydrophobicContact CZ-CD1 4.28Å; F213-I223 HydrophobicContact CZ-CG1 4.48Å; R221-I223 PolarHBondContact O-N 2.9Å; I223-T243 CarbonylContact O-C 3.53Å; I223-T243 WeakPolarHBondContact O-CA 3.14Å; I223-I244 HydrophobicContact CB-CG2 3.88Å; I223-I244 HydrophobicContact CD1-CG2 4.17Å; I223-I244 HydrophobicContact CG2-CG2 4.45Å; I223-I244 PolarHBondContact N-O 3.4Å; I223-I244 PolarHBondContact O-N 3.22Å; I223-L249 HydrophobicContact CD1-CD1 4.05Å; I223-L414 HydrophobicContact CD1-CD1 3.89Å; I223-L414 HydrophobicContact CD1-CD2 3.7Å; I223-L414 HydrophobicContact CD1-CG 4.48Å; I223-R431 HydrophobicContact CG2-CG 4.27Å
224	E	95	Very high	92.1	Very high	131 Å²	131	79.9 Å²	79.9	61%	0.612	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.6	174	-64.9	-174	171.9	0	0	110.9	Y226 T243 R431	E224-Y226 HydrophobicContact CB-CD1 4.24Å; E224-Y226 HydrophobicContact CB-CE1 4.33Å; E224-T243 HydrophobicContact CG-CG2 4.37Å; E224-R431 WeakPolarHBondContact O-CD 3.43Å
225	M	93.3	Very high	90.3	Very high	17 Å²	17	80.9 Å²	80.9	8%	0.084	41%	0.407	C	S	.	.			trans	-100.3	98.4	-176.7	-67.8	-63.3	-66.8	0	0	111.1	Y240 P241 S242 I244 R431 L434 A435	M225-Y240 HydrophobicContact CB-CD2 3.99Å; M225-Y240 HydrophobicContact CB-CE2 4.24Å; M225-Y240 HydrophobicContact CE-CD2 4.14Å; M225-P241 WeakPolarHBondContact CB-O 3.25Å; M225-P241 WeakPolarHBondContact CG-O 3.42Å; M225-S242 PolarHBondContact N-O 3.05Å; M225-I244 HydrophobicContact CG-CG2 4.42Å; M225-I244 HydrophobicContact SD-CG2 4.15Å; M225-R431 HydrophobicContact SD-CG 4.27Å; M225-L434 HydrophobicContact CE-CB 3.99Å; M225-L434 HydrophobicContact CE-CD2 3.78Å; M225-L434 HydrophobicContact CE-CG 3.85Å; M225-L434 HydrophobicContact SD-CD2 3.71Å; M225-L434 HydrophobicContact SD-CG 4.45Å; M225-A435 HydrophobicContact CE-CB 4.4Å
226	Y	92	Very high	88.4	Confident	122 Å²	122	75.8 Å²	75.8	48%	0.478	39%	0.388	S	S	.	.			trans	-130	140.9	168.2	58.6	-88.2	0	0	0	109.6	E224 R431	E224-Y226 HydrophobicContact CB-CD1 4.24Å; E224-Y226 HydrophobicContact CB-CE1 4.33Å; Y226-R431 PolarHBondContact O-NE 3.06Å; Y226-R431 VanDerWaalsContact OH-CZ 3.29Å; Y226-R431 PolarHBondContact OH-NH2 2.95Å; Y226-R431 VanDerWaalsContact OH-NH2 3.08Å
227	L	93.3	Very high	86	Confident	47 Å²	47	82.6 Å²	82.6	25%	0.246	42%	0.422	C	S	.	.			trans	-91.5	144	-175	-50.4	-174	0	0	0	110.5	A230 V232 Y240 D432 A435	L227-A230 HydrophobicContact CD1-CB 4.29Å; L227-A230 VanDerWaalsContact CD1-O 3.32Å; L227-A230 WeakPolarHBondContact CD1-O 3.44Å; L227-A230 HydrophobicContact CD2-CB 4.48Å; L227-V232 HydrophobicContact CD1-CB 4.12Å; L227-V232 HydrophobicContact CD1-CG2 4.45Å; L227-Y240 HydrophobicContact CD1-CE1 4.13Å; L227-Y240 HydrophobicContact CD2-CE2 4.29Å; L227-D432 WeakPolarHBondContact CA-OD1 3.36Å; L227-A435 HydrophobicContact CD1-CB 4.47Å; L227-A435 HydrophobicContact CD2-CB 3.26Å; L227-A435 HydrophobicContact CG-CB 4.49Å
228	T	95.5	Very high	84	Confident	59 Å²	59	83.4 Å²	83.4	36%	0.362	42%	0.416	S	S	.	.	S	Bend	trans	-107.9	-55.1	178.4	-51.2	0	0	0	0	110	P340 A428 D432	T228-P340 HydrophobicContact CG2-CB 4.2Å; T228-P340 HydrophobicContact CG2-CG 3.85Å; T228-A428 HydrophobicContact CG2-CB 4.25Å; T228-A428 WeakPolarHBondContact OG1-CB 3.22Å; T228-D432 PolarHBondContact N-OD1 3.3Å
229	Q	95.9	Very high	82.9	Confident	56 Å²	56	88.6 Å²	88.6	26%	0.262	44%	0.436	S	S	.	.	S	Bend	trans	-113.9	-31.5	178.7	-64.3	-64.6	-33.2	0	0	112.9	P340 Y342 I344 D432	Q229-P340 HydrophobicContact CG-CG 3.96Å; Q229-Y342 HydrophobicContact CB-CD2 4.5Å; Q229-Y342 HydrophobicContact CB-CE2 3.83Å; Q229-Y342 HydrophobicContact CG-CD2 4.12Å; Q229-Y342 HydrophobicContact CG-CE2 3.64Å; Q229-I344 HydrophobicContact CB-CB 4.01Å; Q229-I344 HydrophobicContact CB-CD1 3.9Å; Q229-I344 HydrophobicContact CB-CG1 3.74Å; Q229-D432 WeakPolarHBondContact CB-OD2 3.46Å; Q229-D432 PolarHBondContact N-OD1 3.08Å; Q229-D432 PolarHBondContact N-OD2 2.76Å
230	A	94.1	Very high	82.5	Confident	8 Å²	8	89.5 Å²	89.5	7%	0.066	44%	0.437	C	S	.	.			trans	-66.1	142.1	-177.2	0	0	0	0	0	111.5	L227 I344 D432 L436	L227-A230 HydrophobicContact CD1-CB 4.29Å; L227-A230 VanDerWaalsContact CD1-O 3.32Å; L227-A230 WeakPolarHBondContact CD1-O 3.44Å; L227-A230 HydrophobicContact CD2-CB 4.48Å; A230-I344 HydrophobicContact CB-CD1 4.11Å; A230-D432 HydrophobicContact CB-CB 3.8Å; A230-D432 WeakPolarHBondContact CB-OD1 3.24Å; A230-D432 PolarHBondContact N-OD1 2.84Å; A230-D432 PolarHBondContact N-OD2 2.82Å; A230-L436 HydrophobicContact CB-CD1 4.2Å; A230-L436 HydrophobicContact CB-CG 4.18Å
231	K	90.3	Very high	82.3	Confident	161 Å²	161	83.8 Å²	83.8	70%	0.7	41%	0.413	S	S	*	.			trans	-119	78.2	-179.4	-61.5	-176.9	-174.4	176.2	0	109.7	Q346	K231-Q346 PolarHBondContact O-NE2 2.74Å; K231-Q346 PolarHBondContact O-OE1 2.95Å; K231-Q346 VanDerWaalsContact O-OE1 3.11Å
232	V	86.3	Confident	82.1	Confident	16 Å²	16	80.1 Å²	80.1	10%	0.097	42%	0.415	C	S	.	.			trans	-103.4	123.3	177	-176.7	0	0	0	0	109.6	L227 K234 Y240 A435 L436 H439	L227-V232 HydrophobicContact CD1-CB 4.12Å; L227-V232 HydrophobicContact CD1-CG2 4.45Å; V232-K234 PolarHBondContact O-N 3.43Å; V232-Y240 HydrophobicContact CB-CD1 4.43Å; V232-Y240 HydrophobicContact CB-CE1 4.02Å; V232-Y240 HydrophobicContact CG1-CD1 4.11Å; V232-Y240 HydrophobicContact CG1-CE1 4.04Å; V232-A435 HydrophobicContact CG2-CB 4.31Å; V232-L436 HydrophobicContact CG2-CD2 4Å; V232-L436 HydrophobicContact CG2-CG 4.47Å; V232-H439 HydrophobicContact CG1-CB 3.89Å; V232-H439 HydrophobicContact CG2-CB 4.21Å
233	P	76.1	Confident	82	Confident	67 Å²	67	79.4 Å²	79.4	44%	0.435	41%	0.409	S	S	.	.			trans	-61.1	131.3	178.8	-22.3	32.6	0	0	0	112.4	S235	P233-S235 PolarHBondContact O-N 3.2Å
234	K	65.9	Low	82	Confident	165 Å²	165	78.3 Å²	78.3	72%	0.717	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.8	173.4	-69.7	-174.2	177	-178.1	0	113.6	V232 Q239	V232-K234 PolarHBondContact O-N 3.43Å; K234-Q239 PolarHBondContact O-NE2 3.43Å
235	S	57.9	Low	82.2	Confident	105 Å²	105	74.4 Å²	74.4	73%	0.734	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.3	-174.6	53.9	0	0	0	0	114.6	P233	P233-S235 PolarHBondContact O-N 3.2Å
236	D	55.8	Low	82.4	Confident	57 Å²	57	74.1 Å²	74.1	31%	0.305	39%	0.387	S	S	.	.	S	Bend	trans	-70.2	140.2	174.5	-89	-25.5	0	0	0	110.3	F238 Q239 H439	D236-F238 PolarHBondContact O-N 2.77Å; D236-Q239 VanDerWaalsContact O-CG 3.23Å; D236-Q239 WeakPolarHBondContact O-CG 3.42Å; D236-H439 IonicContact OD2-CE1 3.67Å; D236-H439 IonicContact OD2-ND1 3.59Å
237	I	48.3	Very low	82.6	Confident	162 Å²	162	70.4 Å²	70.4	83%	0.831	38%	0.382	S	S	*	.	S	Bend	trans	-59.9	-14.4	172.5	-71.2	165.6	0	0	0	111.6
238	F	52.6	Low	82.9	Confident	106 Å²	106	71.1 Å²	71.1	47%	0.465	38%	0.384	S	S	.	.	S	Bend	trans	-105.7	59.1	-179.7	-58.7	-83.4	0	0	0	111.3	D236 Y240	D236-F238 PolarHBondContact O-N 2.77Å; F238-Y240 PolarHBondContact O-N 3.26Å
239	Q	71.6	Confident	83	Confident	138 Å²	138	68.3 Å²	68.3	65%	0.645	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.1	129.4	-179.7	-63.8	-179.2	-7.2	0	0	110.2	K234 D236	K234-Q239 PolarHBondContact O-NE2 3.43Å; D236-Q239 VanDerWaalsContact O-CG 3.23Å; D236-Q239 WeakPolarHBondContact O-CG 3.42Å
240	Y	86.7	Confident	83.1	Confident	29 Å²	29	68 Å²	68	11%	0.114	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-59	138.5	155.8	59.3	-91.9	0	0	0	107.5	M225 L227 V232 F238 A435	M225-Y240 HydrophobicContact CB-CD2 3.99Å; M225-Y240 HydrophobicContact CB-CE2 4.24Å; M225-Y240 HydrophobicContact CE-CD2 4.14Å; L227-Y240 HydrophobicContact CD1-CE1 4.13Å; L227-Y240 HydrophobicContact CD2-CE2 4.29Å; V232-Y240 HydrophobicContact CB-CD1 4.43Å; V232-Y240 HydrophobicContact CB-CE1 4.02Å; V232-Y240 HydrophobicContact CG1-CD1 4.11Å; V232-Y240 HydrophobicContact CG1-CE1 4.04Å; F238-Y240 PolarHBondContact O-N 3.26Å; Y240-A435 HydrophobicContact CD1-CB 3.97Å; Y240-A435 HydrophobicContact CE1-CB 4.32Å; Y240-A435 HydrophobicContact CG-CB 4.11Å
241	P	89.9	Confident	83.3	Confident	39 Å²	39	74.4 Å²	74.4	25%	0.253	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-67.7	152.7	-173.8	32.1	-37.8	0	0	0	110	M225 T243 I244 F438	M225-P241 WeakPolarHBondContact CB-O 3.25Å; M225-P241 WeakPolarHBondContact CG-O 3.42Å; P241-T243 VanDerWaalsContact CB-O 3.27Å; P241-T243 WeakPolarHBondContact CB-O 3.49Å; P241-T243 WeakPolarHBondContact CG-O 3.28Å; P241-T243 PolarHBondContact O-N 3.12Å; P241-I244 HydrophobicContact CG-CB 4.13Å; P241-I244 HydrophobicContact CG-CD1 4.42Å; P241-I244 HydrophobicContact CG-CG1 4.44Å; P241-F438 VanDerWaalsContact CD-CE2 3.45Å; P241-F438 HydrophobicContact CG-CE2 4.2Å; P241-F438 HydrophobicContact CG-CZ 4.25Å
242	S	91.1	Very high	83.6	Confident	99 Å²	99	68.1 Å²	68.1	69%	0.692	36%	0.361	S	S	*	.	S	Bend	trans	-65	-25	176.6	56.3	0	0	0	0	112.9	M225	M225-S242 PolarHBondContact N-O 3.05Å
243	T	94.9	Very high	84.2	Confident	59 Å²	59	67.5 Å²	67.5	36%	0.362	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.8	171.1	59.2	0	0	0	0	109.8	I223 E224 P241	I223-T243 CarbonylContact O-C 3.53Å; I223-T243 WeakPolarHBondContact O-CA 3.14Å; E224-T243 HydrophobicContact CG-CG2 4.37Å; P241-T243 VanDerWaalsContact CB-O 3.27Å; P241-T243 WeakPolarHBondContact CB-O 3.49Å; P241-T243 WeakPolarHBondContact CG-O 3.28Å; P241-T243 PolarHBondContact O-N 3.12Å
244	I	96.3	Very high	85.3	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.3	175.4	-164.2	168	0	0	0	111.2	I223 M225 P241 Q248 L249 L434 F438	I223-I244 HydrophobicContact CB-CG2 3.88Å; I223-I244 HydrophobicContact CD1-CG2 4.17Å; I223-I244 HydrophobicContact CG2-CG2 4.45Å; I223-I244 PolarHBondContact N-O 3.4Å; I223-I244 PolarHBondContact O-N 3.22Å; M225-I244 HydrophobicContact CG-CG2 4.42Å; M225-I244 HydrophobicContact SD-CG2 4.15Å; P241-I244 HydrophobicContact CG-CB 4.13Å; P241-I244 HydrophobicContact CG-CD1 4.42Å; P241-I244 HydrophobicContact CG-CG1 4.44Å; I244-Q248 HydrophobicContact CD1-CB 4.21Å; I244-Q248 HydrophobicContact CG1-CB 3.57Å; I244-L249 HydrophobicContact CD1-CD2 3.63Å; I244-L249 HydrophobicContact CD1-CG 3.8Å; I244-L249 HydrophobicContact CG1-CD2 4.45Å; I244-L249 HydrophobicContact CG1-CG 4.12Å; I244-L434 HydrophobicContact CD1-CD2 3.98Å; I244-L434 HydrophobicContact CG2-CD2 3.76Å; I244-F438 HydrophobicContact CD1-CE2 4.04Å; I244-F438 HydrophobicContact CD1-CZ 3.9Å
245	T	97.7	Very high	86.8	Confident	48 Å²	48	62.3 Å²	62.3	29%	0.294	33%	0.332	S	S	.	.			trans	-96.9	161.3	174.6	65.5	0	0	0	0	111.3	P222 A247 Q248 L249	P222-T245 HydrophobicContact CB-CG2 4.18Å; P222-T245 HydrophobicContact CG-CG2 4.13Å; T245-A247 PolarHBondContact O-N 3.44Å; T245-Q248 WeakPolarHBondContact O-CA 3.23Å; T245-Q248 WeakPolarHBondContact O-CB 3.48Å; T245-Q248 PolarHBondContact O-N 2.83Å; T245-Q248 PolarHBondContact OG1-N 2.89Å; T245-Q248 PolarHBondContact OG1-OE1 3.34Å; T245-L249 PolarHBondContact O-N 2.85Å
246	V	97.7	Very high	88.7	Confident	11 Å²	11	57.4 Å²	57.4	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-53.9	-40.6	171.9	172.8	0	0	0	0	111.4	L210 F213 K214 G219 Q248 L249 E250	L210-V246 HydrophobicContact CD1-CG1 4.11Å; L210-V246 HydrophobicContact CD1-CG2 4.49Å; L210-V246 HydrophobicContact CD2-CG1 4.41Å; L210-V246 HydrophobicContact CG-CG1 4.11Å; F213-V246 HydrophobicContact CD1-CG2 4.01Å; F213-V246 HydrophobicContact CE1-CG2 4.01Å; K214-V246 HydrophobicContact CB-CG1 4.09Å; K214-V246 HydrophobicContact CD-CG1 4.01Å; K214-V246 HydrophobicContact CG-CG1 4.01Å; G219-V246 WeakPolarHBondContact O-CG2 3.38Å; V246-Q248 VanDerWaalsContact C-N 3.28Å; V246-Q248 PolarHBondContact O-N 3.33Å; V246-L249 WeakPolarHBondContact O-CB 3.4Å; V246-L249 PolarHBondContact O-N 3.21Å; V246-L249 VanDerWaalsContact O-N 3.17Å; V246-E250 HydrophobicContact CG1-CG 4.46Å; V246-E250 WeakPolarHBondContact O-CG 3.48Å; V246-E250 PolarHBondContact O-N 3.31Å
247	A	97.9	Very high	90.7	Very high	45 Å²	45	58.1 Å²	58.1	37%	0.372	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-28.1	177.2	0	0	0	0	0	113.5	T245 R251	T245-A247 PolarHBondContact O-N 3.44Å; A247-R251 WeakPolarHBondContact O-CG 3.36Å; A247-R251 PolarHBondContact O-N 3.05Å; A247-R251 PolarHBondContact O-NH1 3.37Å
248	Q	97.6	Very high	93.1	Very high	61 Å²	61	55.2 Å²	55.2	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-74.2	-43.2	171.1	-79.3	164.7	-48.1	0	0	111	I244 T245 V246 E250 R251 E252	I244-Q248 HydrophobicContact CD1-CB 4.21Å; I244-Q248 HydrophobicContact CG1-CB 3.57Å; T245-Q248 WeakPolarHBondContact O-CA 3.23Å; T245-Q248 WeakPolarHBondContact O-CB 3.48Å; T245-Q248 PolarHBondContact O-N 2.83Å; T245-Q248 PolarHBondContact OG1-N 2.89Å; T245-Q248 PolarHBondContact OG1-OE1 3.34Å; V246-Q248 VanDerWaalsContact C-N 3.28Å; V246-Q248 PolarHBondContact O-N 3.33Å; Q248-E250 VanDerWaalsContact C-N 3.31Å; Q248-E250 PolarHBondContact O-N 3.18Å; Q248-R251 WeakPolarHBondContact O-CB 3.41Å; Q248-R251 PolarHBondContact O-N 3.48Å; Q248-E252 WeakPolarHBondContact O-CG 3.27Å; Q248-E252 PolarHBondContact O-N 2.86Å
249	L	97.9	Very high	95.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-41	173.8	-74.7	169.6	0	0	0	112.2	L210 I223 I244 T245 V246 R251 E252 L253 V410 L414 L434	L210-L249 HydrophobicContact CD1-CB 4.34Å; L210-L249 HydrophobicContact CD1-CD1 4.02Å; L210-L249 HydrophobicContact CD2-CB 4.03Å; I223-L249 HydrophobicContact CD1-CD1 4.05Å; I244-L249 HydrophobicContact CD1-CD2 3.63Å; I244-L249 HydrophobicContact CD1-CG 3.8Å; I244-L249 HydrophobicContact CG1-CD2 4.45Å; I244-L249 HydrophobicContact CG1-CG 4.12Å; T245-L249 PolarHBondContact O-N 2.85Å; V246-L249 WeakPolarHBondContact O-CB 3.4Å; V246-L249 PolarHBondContact O-N 3.21Å; V246-L249 VanDerWaalsContact O-N 3.17Å; L249-R251 VanDerWaalsContact C-N 3.27Å; L249-R251 PolarHBondContact O-N 3.22Å; L249-E252 PolarHBondContact O-N 3.31Å; L249-E252 VanDerWaalsContact O-N 3.13Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 3.46Å; L249-V410 HydrophobicContact CD2-CG1 4.37Å; L249-L414 HydrophobicContact CD1-CD1 3.66Å; L249-L434 HydrophobicContact CD2-CD1 3.93Å; L249-L434 HydrophobicContact CD2-CD2 4.04Å
250	E	98.2	Very high	96.5	Very high	51 Å²	51	44 Å²	44	24%	0.238	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-38.7	173.6	-75	173	-175.1	0	0	111.9	L210 K214 V246 Q248 L253 N254	L210-E250 HydrophobicContact CD2-CG 3.82Å; K214-E250 IonicContact NZ-OE1 2.95Å; K214-E250 PolarHBondContact NZ-OE1 3.24Å; V246-E250 HydrophobicContact CG1-CG 4.46Å; V246-E250 WeakPolarHBondContact O-CG 3.48Å; V246-E250 PolarHBondContact O-N 3.31Å; Q248-E250 VanDerWaalsContact C-N 3.31Å; Q248-E250 PolarHBondContact O-N 3.18Å; E250-L253 PolarHBondContact O-N 3.49Å; E250-N254 PolarHBondContact O-N 2.55Å; E250-N254 PolarHBondContact O-ND2 3.16Å; E250-N254 PolarHBondContact O-OD1 3.14Å; E250-N254 VanDerWaalsContact O-OD1 3.12Å
251	R	98.2	Very high	96.9	Very high	141 Å²	141	48.4 Å²	48.4	53%	0.532	25%	0.252	S	S	.	.	H	α-helix	trans	-67.4	-38.8	174.9	-71.9	-169.9	-65.8	-93.8	19.7	112.3	A247 Q248 L249 N254 F255	A247-R251 WeakPolarHBondContact O-CG 3.36Å; A247-R251 PolarHBondContact O-N 3.05Å; A247-R251 PolarHBondContact O-NH1 3.37Å; Q248-R251 WeakPolarHBondContact O-CB 3.41Å; Q248-R251 PolarHBondContact O-N 3.48Å; L249-R251 VanDerWaalsContact C-N 3.27Å; L249-R251 PolarHBondContact O-N 3.22Å; R251-N254 WeakPolarHBondContact O-CB 3.42Å; R251-N254 PolarHBondContact O-N 3.36Å; R251-F255 PolarHBondContact O-N 2.77Å
252	E	98.1	Very high	97.2	Very high	30 Å²	30	49.6 Å²	49.6	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-40.1	174.4	-64.1	-56.2	141.9	0	0	111.4	Q248 L249 N254 F255 V256 I407 Y437 F438 K441	Q248-E252 WeakPolarHBondContact O-CG 3.27Å; Q248-E252 PolarHBondContact O-N 2.86Å; L249-E252 PolarHBondContact O-N 3.31Å; L249-E252 VanDerWaalsContact O-N 3.13Å; E252-N254 VanDerWaalsContact C-N 3.33Å; E252-N254 PolarHBondContact O-N 2.97Å; E252-F255 WeakPolarHBondContact O-CB 3.46Å; E252-F255 PolarHBondContact O-N 2.76Å; E252-V256 PolarHBondContact O-N 3.03Å; E252-I407 HydrophobicContact CB-CD1 3.58Å; E252-Y437 HydrophobicContact CB-CE1 4.03Å; E252-Y437 HydrophobicContact CG-CE1 4.03Å; E252-Y437 VanDerWaalsContact OE2-CE1 3.31Å; E252-Y437 WeakPolarHBondContact OE2-CE1 3.3Å; E252-Y437 PolarHBondContact OE2-OH 3.37Å; E252-F438 HydrophobicContact CG-CE1 4.26Å; E252-F438 HydrophobicContact CG-CZ 4.13Å; E252-K441 IonicContact OE1-NZ 3.11Å; E252-K441 PolarHBondContact OE1-NZ 2.91Å; E252-K441 WeakPolarHBondContact OE2-CE 3.11Å; E252-K441 IonicContact OE2-NZ 3.36Å; E252-K441 PolarHBondContact OE2-NZ 2.81Å
253	L	98.4	Very high	97.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-37.9	172	-70	176.6	0	0	0	112.4	L203 A206 R207 L210 L249 E250 F255 V256 E257 I407	L203-L253 HydrophobicContact CD1-CB 4.2Å; L203-L253 HydrophobicContact CD1-CD2 3.98Å; A206-L253 HydrophobicContact CB-CD2 4.27Å; R207-L253 HydrophobicContact CG-CD1 3.98Å; L210-L253 HydrophobicContact CD2-CD1 3.6Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 3.46Å; E250-L253 PolarHBondContact O-N 3.49Å; L253-F255 VanDerWaalsContact C-N 3.33Å; L253-V256 PolarHBondContact O-N 3.3Å; L253-E257 WeakPolarHBondContact O-CB 3.24Å; L253-E257 PolarHBondContact O-N 3.08Å; L253-I407 HydrophobicContact CD2-CD1 3.9Å; L253-I407 HydrophobicContact CD2-CG1 3.97Å; L253-I407 HydrophobicContact CD2-CG2 4.36Å; L253-I407 HydrophobicContact CG-CD1 4.25Å
254	N	98.5	Very high	97.3	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-65.4	-36.7	173.9	-62	-13	0	0	0	112	R207 E250 R251 E252 E257 F258	R207-N254 PolarHBondContact NH1-OD1 3.29Å; R207-N254 VanDerWaalsContact NH1-OD1 3.16Å; R207-N254 PolarHBondContact NH2-OD1 3.02Å; E250-N254 PolarHBondContact O-N 2.55Å; E250-N254 PolarHBondContact O-ND2 3.16Å; E250-N254 PolarHBondContact O-OD1 3.14Å; E250-N254 VanDerWaalsContact O-OD1 3.12Å; R251-N254 WeakPolarHBondContact O-CB 3.42Å; R251-N254 PolarHBondContact O-N 3.36Å; E252-N254 VanDerWaalsContact C-N 3.33Å; E252-N254 PolarHBondContact O-N 2.97Å; N254-E257 WeakPolarHBondContact O-CB 3.31Å; N254-E257 PolarHBondContact O-N 2.98Å; N254-F258 PolarHBondContact O-N 3.41Å
255	F	98.2	Very high	97.3	Very high	43 Å²	43	49.1 Å²	49.1	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-44.5	173.4	170.2	-95.5	0	0	0	111.3	R251 E252 L253 E257 F258 F259 K441 L444 E445 L448	R251-F255 PolarHBondContact O-N 2.77Å; E252-F255 WeakPolarHBondContact O-CB 3.46Å; E252-F255 PolarHBondContact O-N 2.76Å; L253-F255 VanDerWaalsContact C-N 3.33Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 2.74Å; F255-F258 WeakPolarHBondContact O-CB 3.12Å; F255-F258 PolarHBondContact O-N 3.25Å; F255-F259 PolarHBondContact O-N 2.94Å; F255-K441 HydrophobicContact CD1-CD 4.45Å; F255-K441 HydrophobicContact CD1-CG 4.42Å; F255-K441 HydrophobicContact CE1-CD 4.19Å; F255-K441 HydrophobicContact CE1-CG 3.74Å; F255-K441 HydrophobicContact CZ-CG 4.26Å; F255-L444 HydrophobicContact CE1-CB 3.86Å; F255-L444 HydrophobicContact CE1-CD1 3.88Å; F255-L444 HydrophobicContact CZ-CB 3.92Å; F255-E445 HydrophobicContact CE2-CG 4.17Å; F255-E445 HydrophobicContact CZ-CG 3.73Å; F255-L448 HydrophobicContact CE2-CD1 3.8Å; F255-L448 HydrophobicContact CZ-CD1 3.96Å
256	V	98.3	Very high	97.2	Very high	2 Å²	2	47 Å²	47	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-40.5	174.9	170.7	0	0	0	0	111.4	E252 L253 F258 F259 L260 V404 I407 Y437	E252-V256 PolarHBondContact O-N 3.03Å; L253-V256 PolarHBondContact O-N 3.3Å; V256-F258 VanDerWaalsContact C-N 3.32Å; V256-F258 PolarHBondContact O-N 3.47Å; V256-F259 WeakPolarHBondContact O-CB 3.31Å; V256-F259 PolarHBondContact O-N 3.49Å; V256-F259 VanDerWaalsContact O-N 3.14Å; V256-L260 HydrophobicContact CG1-CD1 4.04Å; V256-L260 HydrophobicContact CG1-CG 4.17Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.19Å; V256-L260 PolarHBondContact O-N 3.07Å; V256-V404 HydrophobicContact CG1-CB 4.45Å; V256-V404 HydrophobicContact CG1-CG1 3.9Å; V256-V404 HydrophobicContact CG1-CG2 4.08Å; V256-I407 HydrophobicContact CG2-CG2 4.01Å; V256-Y437 HydrophobicContact CG2-CE2 3.89Å
257	E	97.8	Very high	97.1	Very high	71 Å²	71	48.7 Å²	48.7	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-56.3	-46.7	173.8	-168.9	162.6	-157.2	0	0	112.3	L203 R207 L253 N254 F255 F259 L260 Q261	L203-E257 HydrophobicContact CD2-CB 3.39Å; L203-E257 HydrophobicContact CD2-CG 3.38Å; R207-E257 IonicContact CZ-OE2 3.49Å; R207-E257 IonicContact NH2-OE2 3.18Å; R207-E257 PolarHBondContact NH2-OE2 3Å; L253-E257 WeakPolarHBondContact O-CB 3.24Å; L253-E257 PolarHBondContact O-N 3.08Å; N254-E257 WeakPolarHBondContact O-CB 3.31Å; N254-E257 PolarHBondContact O-N 2.98Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 2.74Å; E257-F259 VanDerWaalsContact C-N 3.32Å; E257-F259 PolarHBondContact O-N 3.14Å; E257-L260 PolarHBondContact O-N 2.69Å; E257-Q261 WeakPolarHBondContact O-CG 3.43Å; E257-Q261 PolarHBondContact O-N 3.32Å; E257-Q261 VanDerWaalsContact O-N 3.07Å
258	F	97.9	Very high	97	Very high	101 Å²	101	46.6 Å²	46.6	44%	0.443	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-43.5	175.9	-178	-95.2	0	0	0	111.3	N254 F255 V256 Q261 H262 L448	N254-F258 PolarHBondContact O-N 3.41Å; F255-F258 WeakPolarHBondContact O-CB 3.12Å; F255-F258 PolarHBondContact O-N 3.25Å; V256-F258 VanDerWaalsContact C-N 3.32Å; V256-F258 PolarHBondContact O-N 3.47Å; F258-Q261 PolarHBondContact O-N 3.33Å; F258-H262 AromaticContact CD2-CE1 3.71Å; F258-H262 AromaticContact CE2-CE1 3.31Å; F258-H262 WeakPolarHBondContact CE2-CE1 3.48Å; F258-H262 AromaticContact CE2-ND1 3.93Å; F258-H262 AromaticContact CZ-CE1 3.59Å; F258-H262 AromaticContact CZ-ND1 3.95Å; F258-H262 PolarHBondContact O-N 3.39Å; F258-H262 PolarHBondContact O-ND1 2.59Å; F258-L448 HydrophobicContact CD1-CD1 3.78Å; F258-L448 HydrophobicContact CD1-CD2 4Å; F258-L448 HydrophobicContact CE1-CD1 4.05Å; F258-L448 HydrophobicContact CE1-CD2 3.79Å; F258-L448 HydrophobicContact CE1-CG 4.42Å
259	F	98.3	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-48.8	173	166.5	-103	0	0	0	112.4	F255 V256 E257 Q261 H262 S263 L400 F401 V404 L444 Y447 L448	F255-F259 PolarHBondContact O-N 2.94Å; V256-F259 WeakPolarHBondContact O-CB 3.31Å; V256-F259 PolarHBondContact O-N 3.49Å; V256-F259 VanDerWaalsContact O-N 3.14Å; E257-F259 VanDerWaalsContact C-N 3.32Å; E257-F259 PolarHBondContact O-N 3.14Å; F259-Q261 VanDerWaalsContact C-N 3.29Å; F259-Q261 PolarHBondContact O-N 3.27Å; F259-H262 CarbonylContact O-C 3.56Å; F259-H262 PolarHBondContact O-N 3.29Å; F259-S263 WeakPolarHBondContact O-CB 3.34Å; F259-S263 PolarHBondContact O-N 3.18Å; F259-L400 HydrophobicContact CE2-CB 4.25Å; F259-L400 HydrophobicContact CE2-CD1 4.17Å; F259-L400 HydrophobicContact CZ-CB 3.72Å; F259-L400 HydrophobicContact CZ-CD1 4.24Å; F259-F401 HydrophobicContact CE1-CD2 4.04Å; F259-F401 HydrophobicContact CE1-CE1 4.33Å; F259-F401 AromaticContact CE1-CE2 3.75Å; F259-F401 HydrophobicContact CE1-CE2 3.75Å; F259-F401 HydrophobicContact CE1-CG 4.46Å; F259-F401 AromaticContact CE1-CZ 3.92Å; F259-F401 HydrophobicContact CE1-CZ 3.92Å; F259-F401 HydrophobicContact CZ-CD2 4.11Å; F259-F401 AromaticContact CZ-CE2 3.79Å; F259-F401 HydrophobicContact CZ-CE2 3.79Å; F259-F401 HydrophobicContact CZ-CZ 4.34Å; F259-V404 HydrophobicContact CD1-CG2 3.97Å; F259-V404 HydrophobicContact CE1-CG2 3.93Å; F259-L444 HydrophobicContact CD1-CD1 4.41Å; F259-L444 HydrophobicContact CD1-CD2 3.79Å; F259-L444 HydrophobicContact CD2-CB 4.48Å; F259-L444 HydrophobicContact CD2-CD2 3.66Å; F259-L444 HydrophobicContact CE1-CD2 3.71Å; F259-L444 HydrophobicContact CE2-CD2 3.58Å; F259-L444 HydrophobicContact CG-CD1 4.39Å; F259-L444 HydrophobicContact CG-CD2 3.77Å; F259-L444 HydrophobicContact CG-CG 4.5Å; F259-L444 HydrophobicContact CZ-CD2 3.61Å; F259-Y447 HydrophobicContact CD2-CD1 4.04Å; F259-Y447 HydrophobicContact CD2-CE1 4.44Å; F259-Y447 AromaticContact CE2-CD1 3.71Å; F259-Y447 HydrophobicContact CE2-CD1 3.71Å; F259-Y447 HydrophobicContact CE2-CE1 4Å; F259-Y447 HydrophobicContact CE2-CG 4.35Å; F259-L448 HydrophobicContact CB-CD1 4.27Å; F259-L448 HydrophobicContact CD2-CD2 4.42Å; F259-L448 HydrophobicContact CD2-CG 4.43Å
260	L	97.1	Very high	96.9	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-42.4	-177.3	-69.8	175.6	0	0	0	111.7	L203 V256 E257 H262 S263 Y318 F401 V404	L203-L260 HydrophobicContact CB-CD1 4.44Å; V256-L260 HydrophobicContact CG1-CD1 4.04Å; V256-L260 HydrophobicContact CG1-CG 4.17Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.19Å; V256-L260 PolarHBondContact O-N 3.07Å; E257-L260 PolarHBondContact O-N 2.69Å; L260-H262 PolarHBondContact O-N 2.94Å; L260-S263 PolarHBondContact O-N 3.45Å; L260-S263 PolarHBondContact O-OG 2.94Å; L260-Y318 HydrophobicContact CB-CE2 3.93Å; L260-Y318 HydrophobicContact CD1-CD2 4.48Å; L260-Y318 HydrophobicContact CD1-CE2 3.97Å; L260-Y318 HydrophobicContact CD2-CD2 3.76Å; L260-Y318 HydrophobicContact CD2-CE2 3.83Å; L260-Y318 HydrophobicContact CD2-CG 4.26Å; L260-Y318 HydrophobicContact CG-CE2 4.12Å; L260-F401 HydrophobicContact CD2-CD1 4.24Å; L260-F401 HydrophobicContact CD2-CE1 3.37Å; L260-F401 HydrophobicContact CD2-CZ 3.86Å; L260-V404 HydrophobicContact CD2-CG1 4.24Å
261	Q	95.1	Very high	96.8	Very high	122 Å²	122	41.3 Å²	41.3	57%	0.57	19%	0.193	S	C	*	.	H	α-helix	trans	-60.9	-24.4	176.2	-70.8	172.2	-5	0	0	113.9	E257 F258 F259	E257-Q261 WeakPolarHBondContact O-CG 3.43Å; E257-Q261 PolarHBondContact O-N 3.32Å; E257-Q261 VanDerWaalsContact O-N 3.07Å; F258-Q261 PolarHBondContact O-N 3.33Å; F259-Q261 VanDerWaalsContact C-N 3.29Å; F259-Q261 PolarHBondContact O-N 3.27Å
262	H	96.4	Very high	96.8	Very high	64 Å²	64	34.9 Å²	34.9	30%	0.296	17%	0.169	S	C	.	.	H	α-helix	trans	-114.5	0.9	-177.3	-60	82.5	0	0	0	113.7	F258 F259 L260 H264 Y447 L448 L451	F258-H262 AromaticContact CD2-CE1 3.71Å; F258-H262 AromaticContact CE2-CE1 3.31Å; F258-H262 WeakPolarHBondContact CE2-CE1 3.48Å; F258-H262 AromaticContact CE2-ND1 3.93Å; F258-H262 AromaticContact CZ-CE1 3.59Å; F258-H262 AromaticContact CZ-ND1 3.95Å; F258-H262 PolarHBondContact O-N 3.39Å; F258-H262 PolarHBondContact O-ND1 2.59Å; F259-H262 CarbonylContact O-C 3.56Å; F259-H262 PolarHBondContact O-N 3.29Å; L260-H262 PolarHBondContact O-N 2.94Å; H262-H264 VanDerWaalsContact C-N 3.25Å; H262-H264 PolarHBondContact O-CD2 3.36Å; H262-H264 VanDerWaalsContact O-CD2 3.31Å; H262-H264 PolarHBondContact O-N 3.45Å; H262-Y447 PolarHBondContact O-OH 2.64Å; H262-L448 HydrophobicContact CB-CD2 4.15Å; H262-L451 HydrophobicContact CB-CD1 3.51Å
263	S	94.7	Very high	96.7	Very high	8 Å²	8	33.9 Å²	33.9	6%	0.056	16%	0.164	C	C	.	.	S	Bend	trans	-69.3	-24.8	-177.7	68	0	0	0	0	112.9	F259 L260 S265 Y447	F259-S263 WeakPolarHBondContact O-CB 3.34Å; F259-S263 PolarHBondContact O-N 3.18Å; L260-S263 PolarHBondContact O-N 3.45Å; L260-S263 PolarHBondContact O-OG 2.94Å; S263-S265 PolarHBondContact O-N 3.33Å; S263-S265 PolarHBondContact OG-N 2.97Å; S263-Y447 PolarHBondContact O-OH 2.84Å
264	H	92.9	Very high	96.6	Very high	134 Å²	134	33.8 Å²	33.8	62%	0.62	16%	0.164	S	C	*	.			trans	50.2	22.4	-170.6	-57.4	-67.3	0	0	0	113.9	H262 K393	H262-H264 VanDerWaalsContact C-N 3.25Å; H262-H264 PolarHBondContact O-CD2 3.36Å; H262-H264 VanDerWaalsContact O-CD2 3.31Å; H262-H264 PolarHBondContact O-N 3.45Å; H264-K393 WeakPolarHBondContact O-CE 3.3Å; H264-K393 PolarHBondContact O-NZ 3.07Å
265	S	96	Very high	96.5	Very high	8 Å²	8	32.1 Å²	32.1	6%	0.056	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-69	131.2	171	173.1	0	0	0	0	108.5	S263 R319 G320	S263-S265 PolarHBondContact O-N 3.33Å; S263-S265 PolarHBondContact OG-N 2.97Å; S265-R319 PolarHBondContact OG-N 2.88Å; S265-G320 PolarHBondContact OG-N 3.07Å
266	P	95.9	Very high	96.4	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-57.6	145.6	174.9	-23.8	34.6	0	0	0	111.4	V268 Y318 R319 D381 L382 E397	P266-V268 HydrophobicContact CB-CG1 4.36Å; P266-Y318 CarbonylContact O-C 3.28Å; P266-Y318 WeakPolarHBondContact O-CA 3.42Å; P266-R319 PolarHBondContact O-N 3.39Å; P266-D381 WeakPolarHBondContact CG-O 3.13Å; P266-L382 HydrophobicContact CB-CD1 4.25Å; P266-L382 HydrophobicContact CG-CD1 4.49Å; P266-E397 WeakPolarHBondContact CD-OE1 3.35Å
267	V	95.8	Very high	96.2	Very high	46 Å²	46	31.6 Å²	31.6	28%	0.279	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.9	170.8	179.4	0	0	0	0	108.5	K198 P200 Y316 N317 Y318	K198-V267 WeakPolarHBondContact O-CG1 3.42Å; P200-V267 HydrophobicContact CG-CG2 4.35Å; V267-Y316 HydrophobicContact CG1-CD1 4.28Å; V267-N317 CarbonylContact C-O 3.56Å; V267-N317 VanDerWaalsContact CA-O 3.31Å; V267-N317 WeakPolarHBondContact CA-O 3.31Å; V267-Y318 HydrophobicContact CG2-CD1 4.21Å; V267-Y318 HydrophobicContact CG2-CE1 4.22Å
268	V	95.9	Very high	96	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	158.9	-174.6	-60.4	0	0	0	0	110.3	H190 P266 S270 Y316 N317 R319 L382	H190-V268 HydrophobicContact CB-CB 4.04Å; H190-V268 HydrophobicContact CB-CG1 4.33Å; H190-V268 HydrophobicContact CB-CG2 3.97Å; P266-V268 HydrophobicContact CB-CG1 4.36Å; V268-S270 WeakPolarHBondContact CG2-OG 3.28Å; V268-S270 PolarHBondContact O-N 2.92Å; V268-S270 PolarHBondContact O-OG 2.85Å; V268-Y316 CarbonylContact O-C 3.46Å; V268-Y316 WeakPolarHBondContact O-CA 3.47Å; V268-N317 PolarHBondContact N-O 3.35Å; V268-N317 PolarHBondContact O-N 3.2Å; V268-N317 VanDerWaalsContact O-O 3.05Å; V268-R319 HydrophobicContact CG1-CB 4.35Å; V268-R319 HydrophobicContact CG2-CB 3.88Å; V268-L382 HydrophobicContact CG1-CD1 3.6Å
269	F	95.9	Very high	96	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	117.2	165.6	179.9	-109	0	0	0	108.8	V137 L141 V189 H190 L192 A194 I196 C314 Y316	V137-F269 HydrophobicContact CB-CZ 4.42Å; V137-F269 HydrophobicContact CG1-CE2 4.47Å; V137-F269 HydrophobicContact CG1-CZ 3.72Å; V137-F269 HydrophobicContact CG2-CE2 3.87Å; V137-F269 HydrophobicContact CG2-CZ 3.92Å; L141-F269 HydrophobicContact CD1-CE1 4.48Å; L141-F269 HydrophobicContact CD2-CE1 4.41Å; V189-F269 HydrophobicContact CG1-CD1 3.83Å; V189-F269 HydrophobicContact CG1-CE1 4Å; H190-F269 WeakPolarHBondContact CA-O 3.21Å; H190-F269 PolarHBondContact CD2-O 3.16Å; H190-F269 VanDerWaalsContact CD2-O 3.31Å; L192-F269 HydrophobicContact CB-CD1 3.98Å; L192-F269 HydrophobicContact CD1-CD1 3.94Å; L192-F269 HydrophobicContact CD1-CE1 4.04Å; A194-F269 HydrophobicContact CB-CD1 4.45Å; A194-F269 HydrophobicContact CB-CD2 3.58Å; A194-F269 HydrophobicContact CB-CE2 3.83Å; A194-F269 HydrophobicContact CB-CG 3.92Å; A194-F269 HydrophobicContact CB-CZ 4.37Å; I196-F269 HydrophobicContact CD1-CD2 3.96Å; I196-F269 HydrophobicContact CD1-CE2 3.72Å; F269-C314 HydrophobicContact CE2-CB 3.95Å; F269-C314 HydrophobicContact CZ-CB 3.7Å; F269-Y316 HydrophobicContact CB-CE1 4.23Å; F269-Y316 HydrophobicContact CB-CE2 4.26Å; F269-Y316 HydrophobicContact CD2-CD2 4.39Å; F269-Y316 HydrophobicContact CD2-CE2 4.25Å
270	S	96.7	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.3	-168.9	-56.6	0	0	0	0	110.3	V268 N272 C314 S315 D322	V268-S270 WeakPolarHBondContact CG2-OG 3.28Å; V268-S270 PolarHBondContact O-N 2.92Å; V268-S270 PolarHBondContact O-OG 2.85Å; S270-N272 WeakPolarHBondContact CB-OD1 3.31Å; S270-C314 VanDerWaalsContact O-CA 3.28Å; S270-C314 WeakPolarHBondContact O-CA 3.41Å; S270-S315 PolarHBondContact N-O 3.19Å; S270-S315 PolarHBondContact O-N 3.23Å; S270-S315 VanDerWaalsContact O-N 3.15Å; S270-D322 WeakPolarHBondContact CA-OD2 3.44Å; S270-D322 WeakPolarHBondContact CB-OD2 3.41Å
271	H	97.1	Very high	95.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.129	C	C	.	.			trans	-75.9	-35.1	174.4	-168.8	-90.6	0	0	0	112.3	D273 L274 I309 D310 F311 Y313 D322	H271-D273 PolarHBondContact CE1-O 3.18Å; H271-D273 VanDerWaalsContact CE1-O 3.26Å; H271-D273 VanDerWaalsContact ND1-C 3.28Å; H271-D273 PolarHBondContact ND1-N 2.89Å; H271-D273 PolarHBondContact ND1-O 3.29Å; H271-D273 PolarHBondContact O-N 3.08Å; H271-L274 HydrophobicContact CB-CD2 3.47Å; H271-L274 VanDerWaalsContact CB-CD2 3.47Å; H271-L274 HydrophobicContact CB-CG 3.93Å; H271-I309 PolarHBondContact CE1-O 3.24Å; H271-I309 PolarHBondContact NE2-O 3.25Å; H271-D310 PolarHBondContact CE1-O 3.2Å; H271-D310 PolarHBondContact NE2-O 3.15Å; H271-F311 AromaticContact CD2-CD1 3.7Å; H271-F311 AromaticContact NE2-CD1 3.55Å; H271-F311 AromaticContact NE2-CE1 3.95Å; H271-Y313 CarbonylContact O-C 3.59Å; H271-D322 PolarHBondContact N-OD2 3.17Å
272	N	97.3	Very high	95.9	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.027	12%	0.115	C	C	.	.	S	Bend	trans	65.5	-14.5	-176.9	-58.9	-46.7	0	0	0	116.3	S270 Y313 S315 N317 F321 D322	S270-N272 WeakPolarHBondContact CB-OD1 3.31Å; N272-Y313 WeakPolarHBondContact CB-O 3.33Å; N272-Y313 PolarHBondContact ND2-O 2.97Å; N272-S315 PolarHBondContact ND2-N 2.86Å; N272-S315 PolarHBondContact ND2-OG 3.46Å; N272-N317 WeakPolarHBondContact OD1-CB 3.39Å; N272-N317 PolarHBondContact OD1-ND2 3.12Å; N272-F321 HydrophobicContact CB-CD1 4.47Å; N272-F321 HydrophobicContact CB-CE1 4.07Å; N272-D322 WeakPolarHBondContact CA-OD1 3.15Å; N272-D322 PolarHBondContact N-OD1 2.85Å
273	D	96.3	Very high	95.8	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.048	13%	0.127	C	C	.	.			trans	-131.9	64.3	177.1	-171	28.4	0	0	0	113.3	H271 Q275 N278 Y313 W409	H271-D273 PolarHBondContact CE1-O 3.18Å; H271-D273 VanDerWaalsContact CE1-O 3.26Å; H271-D273 VanDerWaalsContact ND1-C 3.28Å; H271-D273 PolarHBondContact ND1-N 2.89Å; H271-D273 PolarHBondContact ND1-O 3.29Å; H271-D273 PolarHBondContact O-N 3.08Å; D273-Q275 PolarHBondContact O-N 2.65Å; D273-Q275 PolarHBondContact OD1-NE2 3.42Å; D273-Q275 PolarHBondContact OD2-NE2 3.33Å; D273-N278 PolarHBondContact O-ND2 2.78Å; D273-N278 PolarHBondContact OD2-ND2 3.2Å; D273-Y313 HydrophobicContact CB-CD2 3.8Å; D273-Y313 HydrophobicContact CB-CG 4.46Å; D273-W409 HydrophobicContact CB-CH2 4.47Å; D273-W409 HydrophobicContact CB-CZ2 4.3Å
274	L	97.2	Very high	95.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.151	C	C	.	.			trans	-82.5	48.3	-177.6	-63.3	173.9	0	0	0	113.7	V186 H271 F279 L308 D322 N325 H326	V186-L274 HydrophobicContact CG1-CD1 3.85Å; V186-L274 HydrophobicContact CG2-CD1 3.75Å; V186-L274 HydrophobicContact CG2-CD2 4.09Å; H271-L274 HydrophobicContact CB-CD2 3.47Å; H271-L274 VanDerWaalsContact CB-CD2 3.47Å; H271-L274 HydrophobicContact CB-CG 3.93Å; L274-F279 HydrophobicContact CB-CE2 4.35Å; L274-F279 HydrophobicContact CD2-CE2 4.37Å; L274-F279 HydrophobicContact CD2-CZ 3.87Å; L274-L308 HydrophobicContact CD2-CD1 4.13Å; L274-D322 HydrophobicContact CD1-CB 3.86Å; L274-N325 PolarHBondContact N-ND2 3.18Å; L274-H326 HydrophobicContact CB-CB 3.91Å; L274-H326 HydrophobicContact CD1-CB 4.22Å; L274-H326 PolarHBondContact O-ND1 3.2Å
275	Q	96.1	Very high	95.7	Very high	45 Å²	45	21.6 Å²	21.6	21%	0.21	13%	0.13	C	C	.	.			trans	-77.9	163.2	172.5	62.6	167	-65.8	0	0	112.8	D273 G277 N278 F279 E329 Y334	D273-Q275 PolarHBondContact O-N 2.65Å; D273-Q275 PolarHBondContact OD1-NE2 3.42Å; D273-Q275 PolarHBondContact OD2-NE2 3.33Å; Q275-G277 PolarHBondContact O-N 3.01Å; Q275-N278 HydrophobicContact CG-CB 4.43Å; Q275-N278 WeakPolarHBondContact CG-ND2 3.24Å; Q275-N278 PolarHBondContact O-N 2.68Å; Q275-N278 VanDerWaalsContact O-N 3.14Å; Q275-F279 WeakPolarHBondContact O-CD2 3.5Å; Q275-E329 HydrophobicContact CB-CB 4.4Å; Q275-E329 HydrophobicContact CB-CG 3.91Å; Q275-Y334 HydrophobicContact CB-CE2 4.47Å
276	E	95.1	Very high	95.5	Very high	11 Å²	11	27.6 Å²	27.6	5%	0.051	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-57.8	-34.2	-179.6	68.7	-86.8	-154.9	0	0	113.5	L168 I173 N278 F279 Y334	L168-E276 HydrophobicContact CB-CB 4.32Å; L168-E276 PolarHBondContact N-O 2.88Å; L168-E276 WeakPolarHBondContact O-CG 3.46Å; I173-E276 HydrophobicContact CD1-CB 4.14Å; I173-E276 HydrophobicContact CG1-CB 4.35Å; I173-E276 HydrophobicContact CG2-CB 3.73Å; E276-N278 PolarHBondContact O-N 3.35Å; E276-N278 VanDerWaalsContact O-N 3.16Å; E276-F279 PolarHBondContact O-N 2.96Å; E276-Y334 WeakPolarHBondContact OE1-CD2 3.39Å
277	G	93.8	Very high	95.5	Very high	24 Å²	24	29.5 Å²	29.5	25%	0.247	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.4	-26	-179.9	0	0	0	0	0	113.4	Q275	Q275-G277 PolarHBondContact O-N 3.01Å
278	N	95.5	Very high	95.5	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.043	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-93.1	-1.5	-175	-66	-20.3	0	0	0	113.3	D273 Q275 E276 L308 I309 D310	D273-N278 PolarHBondContact O-ND2 2.78Å; D273-N278 PolarHBondContact OD2-ND2 3.2Å; Q275-N278 HydrophobicContact CG-CB 4.43Å; Q275-N278 WeakPolarHBondContact CG-ND2 3.24Å; Q275-N278 PolarHBondContact O-N 2.68Å; Q275-N278 VanDerWaalsContact O-N 3.14Å; E276-N278 PolarHBondContact O-N 3.35Å; E276-N278 VanDerWaalsContact O-N 3.16Å; N278-L308 WeakPolarHBondContact O-CA 3.43Å; N278-I309 HydrophobicContact CB-CG1 4.45Å; N278-I309 WeakPolarHBondContact O-CG1 3.37Å; N278-I309 PolarHBondContact O-N 2.93Å; N278-D310 WeakPolarHBondContact OD1-CB 3.35Å
279	F	96.7	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.5	171.1	-66.9	-80	0	0	0	110.3	A167 L168 I182 V186 L274 Q275 E276 L308	A167-F279 CarbonylContact C-O 3.59Å; A167-F279 WeakPolarHBondContact CA-O 3.49Å; L168-F279 HydrophobicContact CB-CB 4.42Å; L168-F279 HydrophobicContact CD1-CB 3.63Å; L168-F279 HydrophobicContact CD1-CG 4.44Å; L168-F279 HydrophobicContact CG-CB 3.96Å; L168-F279 WeakPolarHBondContact CG-O 3.49Å; L168-F279 PolarHBondContact N-O 3.34Å; I182-F279 HydrophobicContact CB-CE1 4.38Å; I182-F279 HydrophobicContact CG1-CD1 4.21Å; I182-F279 HydrophobicContact CG1-CE1 4.26Å; I182-F279 HydrophobicContact CG1-CG 4.49Å; I182-F279 HydrophobicContact CG2-CD1 4.4Å; I182-F279 HydrophobicContact CG2-CE1 3.63Å; I182-F279 HydrophobicContact CG2-CE2 4.03Å; I182-F279 HydrophobicContact CG2-CZ 3.41Å; I182-F279 VanDerWaalsContact CG2-CZ 3.41Å; V186-F279 HydrophobicContact CG2-CZ 4.45Å; L274-F279 HydrophobicContact CB-CE2 4.35Å; L274-F279 HydrophobicContact CD2-CE2 4.37Å; L274-F279 HydrophobicContact CD2-CZ 3.87Å; Q275-F279 WeakPolarHBondContact O-CD2 3.5Å; E276-F279 PolarHBondContact O-N 2.96Å; F279-L308 HydrophobicContact CD1-CD1 3.97Å; F279-L308 HydrophobicContact CE1-CD1 3.56Å; F279-L308 HydrophobicContact CE2-CD1 4.35Å; F279-L308 HydrophobicContact CZ-CD1 3.78Å
280	L	95.7	Very high	95.3	Very high	24 Å²	24	40 Å²	40	13%	0.126	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.1	178.7	-57.8	-174.8	0	0	0	110.7	S165 R166 A167 L306 S307 I309	S165-L280 WeakPolarHBondContact OG-CD1 3.02Å; R166-L280 CarbonylContact O-C 3.49Å; R166-L280 WeakPolarHBondContact O-CA 3.44Å; A167-L280 HydrophobicContact CB-CD2 4.23Å; L280-L306 CarbonylContact O-C 3.5Å; L280-L306 VanDerWaalsContact O-CA 3.24Å; L280-L306 WeakPolarHBondContact O-CA 3.11Å; L280-S307 PolarHBondContact N-O 2.85Å; L280-S307 PolarHBondContact O-N 3.28Å; L280-I309 HydrophobicContact CD1-CD1 3.97Å; L280-I309 HydrophobicContact CD1-CG1 4.29Å; L280-I309 HydrophobicContact CD1-CG2 3.56Å; L280-I309 HydrophobicContact CD2-CD1 3.92Å; L280-I309 HydrophobicContact CD2-CG1 4.44Å; L280-I309 HydrophobicContact CG-CD1 3.96Å; L280-I309 HydrophobicContact CG-CG1 4.08Å; L280-I309 HydrophobicContact CG-CG2 4.01Å
281	L	96.5	Very high	95.3	Very high	6 Å²	6	40 Å²	40	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.2	166.7	-179.4	66.1	0	0	0	109.2	S165 R166 L168 L287 V293 P305 L306	S165-L281 VanDerWaalsContact CA-O 3.23Å; S165-L281 WeakPolarHBondContact CA-O 3.48Å; S165-L281 WeakPolarHBondContact CB-O 2.95Å; R166-L281 HydrophobicContact CG-CB 4.42Å; R166-L281 PolarHBondContact N-O 2.88Å; R166-L281 VanDerWaalsContact N-O 3.08Å; R166-L281 PolarHBondContact O-N 3.11Å; L168-L281 HydrophobicContact CD2-CB 3.99Å; L281-L287 HydrophobicContact CD2-CD1 4.06Å; L281-L287 HydrophobicContact CD2-CD2 4.47Å; L281-L287 HydrophobicContact CD2-CG 3.89Å; L281-V293 HydrophobicContact CD1-CG1 4.11Å; L281-V293 HydrophobicContact CD1-CG2 4.21Å; L281-P305 HydrophobicContact CD1-CB 4.26Å; L281-L306 HydrophobicContact CB-CD2 4.1Å; L281-L306 HydrophobicContact CD1-CD2 3.81Å
282	I	95.4	Very high	95.2	Very high	56 Å²	56	41.8 Å²	41.8	29%	0.287	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	142.3	-178.4	-61.1	169.2	0	0	0	110.2	I163 Y285 P305	I163-I282 HydrophobicContact CG2-CG1 3.93Å; I282-Y285 HydrophobicContact CB-CD2 4.22Å; I282-Y285 HydrophobicContact CB-CE2 4.25Å; I282-Y285 WeakPolarHBondContact O-CD2 3.44Å; I282-P305 WeakPolarHBondContact CG1-O 3.46Å; I282-P305 PolarHBondContact N-O 3.4Å
283	D	94.4	Very high	95.2	Very high	103 Å²	103	41.8 Å²	41.8	55%	0.551	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	146.6	176.7	-77	-16	0	0	0	111.8	P164	P164-D283 VanDerWaalsContact C-CG 3.48Å; P164-D283 HydrophobicContact CB-CB 4.23Å; P164-D283 VanDerWaalsContact CB-OD2 3.28Å; P164-D283 WeakPolarHBondContact CB-OD2 3.41Å; P164-D283 PolarHBondContact O-N 3.04Å
284	G	92.3	Very high	95.2	Very high	53 Å²	53	43.2 Å²	43.2	55%	0.546	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	-11	-179.4	0	0	0	0	0	114.3	P296	G284-P296 WeakPolarHBondContact O-CD 3.42Å; G284-P296 WeakPolarHBondContact O-CG 3.31Å
285	Y	94.4	Very high	95	Very high	49 Å²	49	44.4 Å²	44.4	19%	0.192	25%	0.25	C	C	.	.			trans	-93.5	155.3	170	-66.2	-74.5	0	0	0	112.5	I282 V293 L294 T295 T301 P305	I282-Y285 HydrophobicContact CB-CD2 4.22Å; I282-Y285 HydrophobicContact CB-CE2 4.25Å; I282-Y285 WeakPolarHBondContact O-CD2 3.44Å; Y285-V293 HydrophobicContact CD1-CG1 3.63Å; Y285-V293 HydrophobicContact CG-CG1 3.76Å; Y285-L294 WeakPolarHBondContact CA-O 3.35Å; Y285-T295 HydrophobicContact CE1-CG2 4.28Å; Y285-T301 HydrophobicContact CE1-CG2 4.31Å; Y285-T301 WeakPolarHBondContact CE1-OG1 3.38Å; Y285-P305 HydrophobicContact CD1-CB 4.14Å; Y285-P305 HydrophobicContact CD2-CB 3.68Å; Y285-P305 HydrophobicContact CE1-CB 4.07Å; Y285-P305 HydrophobicContact CE2-CB 3.6Å; Y285-P305 HydrophobicContact CG-CB 3.96Å
286	K	92.5	Very high	94.8	Very high	133 Å²	133	47 Å²	47	58%	0.578	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.7	172.1	-64	179.5	-177.7	172.9	0	109.8	V293 L294	K286-V293 CarbonylContact O-C 3.6Å; K286-V293 WeakPolarHBondContact O-CA 3.41Å; K286-L294 HydrophobicContact CB-CB 4.47Å; K286-L294 PolarHBondContact N-O 3.19Å; K286-L294 PolarHBondContact O-N 3.26Å
287	L	94.8	Very high	94.6	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.225	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.9	172.5	-75.4	176.1	0	0	0	110.8	E172 L178 L281 V293	E172-L287 HydrophobicContact CG-CD1 4.42Å; E172-L287 WeakPolarHBondContact OE1-CD1 3.16Å; L178-L287 HydrophobicContact CD1-CD1 3.94Å; L178-L287 HydrophobicContact CD1-CD2 4Å; L178-L287 HydrophobicContact CD2-CD2 4.03Å; L178-L287 HydrophobicContact CG-CD2 3.95Å; L281-L287 HydrophobicContact CD2-CD1 4.06Å; L281-L287 HydrophobicContact CD2-CD2 4.47Å; L281-L287 HydrophobicContact CD2-CG 3.89Å; L287-V293 HydrophobicContact CD2-CB 4.41Å; L287-V293 HydrophobicContact CD2-CG2 3.54Å
288	A	95.4	Very high	94.5	Very high	30 Å²	30	52.5 Å²	52.5	25%	0.248	31%	0.306	C	S	.	.			trans	-78	169.5	164.4	0	0	0	0	0	111.3	D290 G291 T292 L294	A288-D290 VanDerWaalsContact C-N 3.26Å; A288-D290 PolarHBondContact O-N 2.71Å; A288-G291 PolarHBondContact O-N 3.22Å; A288-T292 PolarHBondContact N-O 3.4Å; A288-L294 HydrophobicContact CB-CD1 4.22Å
289	D	93.9	Very high	94.4	Very high	154 Å²	154	58.2 Å²	58.2	82%	0.824	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.1	-177.7	-69.9	-20.3	0	0	0	112.8	K175 G291	K175-D289 WeakPolarHBondContact CD-O 3.3Å; K175-D289 VanDerWaalsContact CE-O 3.29Å; K175-D289 WeakPolarHBondContact CE-O 3.38Å; K175-D289 PolarHBondContact NZ-O 2.78Å; D289-G291 PolarHBondContact O-N 2.68Å
290	D	94.8	Very high	94.1	Very high	85 Å²	85	62.3 Å²	62.3	46%	0.455	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4.1	178.8	74.6	-15.7	0	0	0	114.2	K175 G177 A288 T292	K175-D290 WeakPolarHBondContact CB-O 3.24Å; G177-D290 PolarHBondContact N-O 3.49Å; A288-D290 VanDerWaalsContact C-N 3.26Å; A288-D290 PolarHBondContact O-N 2.71Å; D290-T292 VanDerWaalsContact CG-OG1 3.27Å; D290-T292 VanDerWaalsContact OD1-CB 3.23Å; D290-T292 WeakPolarHBondContact OD1-CB 3.35Å; D290-T292 PolarHBondContact OD1-N 2.81Å; D290-T292 PolarHBondContact OD1-OG1 3.02Å; D290-T292 PolarHBondContact OD2-OG1 3.03Å; D290-T292 VanDerWaalsContact OD2-OG1 3.12Å
291	G	95.8	Very high	93.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.357	C	S	.	.			trans	85.3	5.1	-178.3	0	0	0	0	0	114.2	G177 L178 A288 D289 V293	G177-G291 CarbonylContact C-O 3.54Å; G177-G291 VanDerWaalsContact C-O 3.28Å; L178-G291 WeakPolarHBondContact CG-O 3.42Å; L178-G291 PolarHBondContact N-O 3.15Å; A288-G291 PolarHBondContact O-N 3.22Å; D289-G291 PolarHBondContact O-N 2.68Å; G291-V293 PolarHBondContact O-N 2.81Å
292	T	96.5	Very high	93.2	Very high	39 Å²	39	69.7 Å²	69.7	24%	0.239	40%	0.398	C	S	.	.			trans	-63.4	126.3	174.2	-59.4	0	0	0	0	110.1	A288 D290 L294 P300	A288-T292 PolarHBondContact N-O 3.4Å; D290-T292 VanDerWaalsContact CG-OG1 3.27Å; D290-T292 VanDerWaalsContact OD1-CB 3.23Å; D290-T292 WeakPolarHBondContact OD1-CB 3.35Å; D290-T292 PolarHBondContact OD1-N 2.81Å; D290-T292 PolarHBondContact OD1-OG1 3.02Å; D290-T292 PolarHBondContact OD2-OG1 3.03Å; D290-T292 VanDerWaalsContact OD2-OG1 3.12Å; T292-L294 HydrophobicContact CG2-CD2 3.93Å; T292-P300 HydrophobicContact CG2-CB 4.39Å; T292-P300 HydrophobicContact CG2-CG 4.42Å
293	V	96.4	Very high	92.8	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.024	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.7	176.4	-177.9	0	0	0	0	109.9	L178 L181 L281 Y285 K286 L287 G291 T301 P305	L178-V293 HydrophobicContact CD2-CG2 3.96Å; L181-V293 HydrophobicContact CD1-CB 3.96Å; L181-V293 HydrophobicContact CD1-CG2 3.39Å; L281-V293 HydrophobicContact CD1-CG1 4.11Å; L281-V293 HydrophobicContact CD1-CG2 4.21Å; Y285-V293 HydrophobicContact CD1-CG1 3.63Å; Y285-V293 HydrophobicContact CG-CG1 3.76Å; K286-V293 CarbonylContact O-C 3.6Å; K286-V293 WeakPolarHBondContact O-CA 3.41Å; L287-V293 HydrophobicContact CD2-CB 4.41Å; L287-V293 HydrophobicContact CD2-CG2 3.54Å; G291-V293 PolarHBondContact O-N 2.81Å; V293-T301 HydrophobicContact CB-CG2 3.96Å; V293-T301 HydrophobicContact CG1-CG2 3.91Å; V293-T301 PolarHBondContact O-N 3.01Å; V293-T301 VanDerWaalsContact O-N 3.12Å; V293-P305 HydrophobicContact CB-CG 4.11Å; V293-P305 HydrophobicContact CG1-CB 3.79Å; V293-P305 HydrophobicContact CG1-CG 3.81Å; V293-P305 HydrophobicContact CG2-CG 4.05Å
294	L	95.7	Very high	92.5	Very high	40 Å²	40	72 Å²	72	21%	0.209	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.1	-175.9	-56.6	177.4	0	0	0	111.4	Y285 K286 A288 T292 K299 P300	Y285-L294 WeakPolarHBondContact CA-O 3.35Å; K286-L294 HydrophobicContact CB-CB 4.47Å; K286-L294 PolarHBondContact N-O 3.19Å; K286-L294 PolarHBondContact O-N 3.26Å; A288-L294 HydrophobicContact CB-CD1 4.22Å; T292-L294 HydrophobicContact CG2-CD2 3.93Å; L294-K299 CarbonylContact C-O 3.51Å; L294-K299 WeakPolarHBondContact CA-O 3.28Å; L294-P300 HydrophobicContact CD2-CG 4.44Å
295	T	93.8	Very high	92.6	Very high	26 Å²	26	69.6 Å²	69.6	16%	0.16	39%	0.385	C	S	.	.			trans	-67.9	166.5	167.1	53.5	0	0	0	0	111.2	Y285 D297 G298 K299	Y285-T295 HydrophobicContact CE1-CG2 4.28Å; T295-D297 VanDerWaalsContact CB-OD1 3.28Å; T295-D297 WeakPolarHBondContact CB-OD1 3.04Å; T295-D297 PolarHBondContact O-N 3.05Å; T295-D297 VanDerWaalsContact O-N 3.12Å; T295-D297 PolarHBondContact OG1-OD1 3.4Å; T295-G298 PolarHBondContact O-N 3.04Å; T295-K299 PolarHBondContact N-O 2.94Å; T295-K299 PolarHBondContact OG1-N 2.8Å; T295-K299 PolarHBondContact OG1-O 2.66Å
296	P	91.2	Very high	92.7	Very high	100 Å²	100	67.8 Å²	67.8	65%	0.649	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30.7	179	-29.2	35.7	0	0	0	115.1	G284 G298	G284-P296 WeakPolarHBondContact O-CD 3.42Å; G284-P296 WeakPolarHBondContact O-CG 3.31Å; P296-G298 VanDerWaalsContact C-N 3.25Å; P296-G298 PolarHBondContact O-N 3.22Å
297	D	92.3	Very high	92.8	Very high	101 Å²	101	62 Å²	62	54%	0.54	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5.2	176.2	70.1	-39.5	0	0	0	113.9	T295 K299	T295-D297 VanDerWaalsContact CB-OD1 3.28Å; T295-D297 WeakPolarHBondContact CB-OD1 3.04Å; T295-D297 PolarHBondContact O-N 3.05Å; T295-D297 VanDerWaalsContact O-N 3.12Å; T295-D297 PolarHBondContact OG1-OD1 3.4Å; D297-K299 WeakPolarHBondContact OD2-CD 3.38Å; D297-K299 VanDerWaalsContact OD2-CE 3.31Å; D297-K299 WeakPolarHBondContact OD2-CE 3.49Å; D297-K299 IonicContact OD2-NZ 2.75Å; D297-K299 PolarHBondContact OD2-NZ 3.45Å
298	G	91.2	Very high	92.9	Very high	48 Å²	48	60.1 Å²	60.1	50%	0.495	35%	0.345	S	S	.	.	S	Bend	trans	83.6	18.6	171.2	0	0	0	0	0	115.1	T295 P296	T295-G298 PolarHBondContact O-N 3.04Å; P296-G298 VanDerWaalsContact C-N 3.25Å; P296-G298 PolarHBondContact O-N 3.22Å
299	K	92.3	Very high	92.7	Very high	128 Å²	128	60.6 Å²	60.6	56%	0.557	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-102.6	152.5	178.3	-64	-179.8	-170.5	134.2	0	111.1	L294 T295 D297 T301	L294-K299 CarbonylContact C-O 3.51Å; L294-K299 WeakPolarHBondContact CA-O 3.28Å; T295-K299 PolarHBondContact N-O 2.94Å; T295-K299 PolarHBondContact OG1-N 2.8Å; T295-K299 PolarHBondContact OG1-O 2.66Å; D297-K299 WeakPolarHBondContact OD2-CD 3.38Å; D297-K299 VanDerWaalsContact OD2-CE 3.31Å; D297-K299 WeakPolarHBondContact OD2-CE 3.49Å; D297-K299 IonicContact OD2-NZ 2.75Å; D297-K299 PolarHBondContact OD2-NZ 3.45Å; K299-T301 PolarHBondContact O-N 3.07Å
300	P	91.2	Very high	92.4	Very high	87 Å²	87	55.2 Å²	55.2	57%	0.565	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-55.7	135.8	169.8	-24.3	34.7	0	0	0	111.1	T292 L294	T292-P300 HydrophobicContact CG2-CB 4.39Å; T292-P300 HydrophobicContact CG2-CG 4.42Å; L294-P300 HydrophobicContact CD2-CG 4.44Å
301	T	89.2	Confident	92.2	Very high	20 Å²	20	51.6 Å²	51.6	12%	0.123	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-70.3	146	174.1	-173.7	0	0	0	0	111.5	Y285 V293 K299 D303 P305	Y285-T301 HydrophobicContact CE1-CG2 4.31Å; Y285-T301 WeakPolarHBondContact CE1-OG1 3.38Å; V293-T301 HydrophobicContact CB-CG2 3.96Å; V293-T301 HydrophobicContact CG1-CG2 3.91Å; V293-T301 PolarHBondContact O-N 3.01Å; V293-T301 VanDerWaalsContact O-N 3.12Å; K299-T301 PolarHBondContact O-N 3.07Å; T301-D303 PolarHBondContact OG1-N 2.85Å; T301-D303 VanDerWaalsContact OG1-N 3.07Å; T301-D303 PolarHBondContact OG1-O 3.49Å; T301-P305 HydrophobicContact CG2-CB 4.19Å; T301-P305 HydrophobicContact CG2-CG 3.86Å
302	N	83.6	Confident	91.6	Very high	165 Å²	165	53.3 Å²	53.3	88%	0.882	30%	0.302	S	S	*	.			trans	-105.7	-6.7	166.5	-67.7	-35.6	0	0	0	112.3
303	D	86.9	Confident	91.2	Very high	109 Å²	109	53.8 Å²	53.8	58%	0.583	30%	0.3	S	S	*	.	S	Bend	trans	-88.4	159.5	175.7	-57.9	-38.8	0	0	0	109.8	T301 P305	T301-D303 PolarHBondContact OG1-N 2.85Å; T301-D303 VanDerWaalsContact OG1-N 3.07Å; T301-D303 PolarHBondContact OG1-O 3.49Å; D303-P305 WeakPolarHBondContact O-CD 3.45Å
304	D	88.8	Confident	91.1	Very high	99 Å²	99	54.4 Å²	54.4	53%	0.529	31%	0.305	S	S	.	.			trans	-73.5	104.7	170.6	-75.8	-46	0	0	0	109.3	R188 L306	R188-D304 IonicContact NH2-OD1 3.92Å; R188-D304 PolarHBondContact NH2-OD1 3.42Å; R188-D304 VanDerWaalsContact NH2-OD1 3.11Å; R188-D304 IonicContact NH2-OD2 3.8Å; R188-D304 PolarHBondContact NH2-OD2 3.05Å; D304-L306 VanDerWaalsContact C-N 3.34Å
305	P	94.8	Very high	91.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	30%	0.3	C	S	.	.			trans	-91.6	-2.2	-173.5	39.8	-34	0	0	0	112.5	L181 L281 I282 Y285 V293 T301 D303	L181-P305 HydrophobicContact CD1-CG 3.72Å; L281-P305 HydrophobicContact CD1-CB 4.26Å; I282-P305 WeakPolarHBondContact CG1-O 3.46Å; I282-P305 PolarHBondContact N-O 3.4Å; Y285-P305 HydrophobicContact CD1-CB 4.14Å; Y285-P305 HydrophobicContact CD2-CB 3.68Å; Y285-P305 HydrophobicContact CE1-CB 4.07Å; Y285-P305 HydrophobicContact CE2-CB 3.6Å; Y285-P305 HydrophobicContact CG-CB 3.96Å; V293-P305 HydrophobicContact CB-CG 4.11Å; V293-P305 HydrophobicContact CG1-CB 3.79Å; V293-P305 HydrophobicContact CG1-CG 3.81Å; V293-P305 HydrophobicContact CG2-CG 4.05Å; T301-P305 HydrophobicContact CG2-CB 4.19Å; T301-P305 HydrophobicContact CG2-CG 3.86Å; D303-P305 WeakPolarHBondContact O-CD 3.45Å
306	L	95.9	Very high	91.2	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.9	-176.5	-59.9	-178.9	0	0	0	109.9	L168 L178 L181 I182 I185 L280 L281 D304	L168-L306 HydrophobicContact CD1-CD1 4.49Å; L168-L306 HydrophobicContact CD1-CD2 4.27Å; L168-L306 HydrophobicContact CD2-CD2 4.39Å; L178-L306 HydrophobicContact CD2-CD1 4.1Å; L178-L306 HydrophobicContact CD2-CD2 4.16Å; L181-L306 HydrophobicContact CB-CD1 3.77Å; L181-L306 HydrophobicContact CB-CG 4.5Å; I182-L306 HydrophobicContact CG1-CD1 3.8Å; I185-L306 HydrophobicContact CD1-CB 3.74Å; I185-L306 HydrophobicContact CD1-CD1 4.29Å; L280-L306 CarbonylContact O-C 3.5Å; L280-L306 VanDerWaalsContact O-CA 3.24Å; L280-L306 WeakPolarHBondContact O-CA 3.11Å; L281-L306 HydrophobicContact CB-CD2 4.1Å; L281-L306 HydrophobicContact CD1-CD2 3.81Å; D304-L306 VanDerWaalsContact C-N 3.34Å
307	S	94.7	Very high	91.5	Very high	12 Å²	12	48.1 Å²	48.1	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.1	165.8	-174.3	0	0	0	0	109.6	I163 L280	I163-S307 VanDerWaalsContact CD1-OG 3.24Å; I163-S307 WeakPolarHBondContact CD1-OG 3.43Å; L280-S307 PolarHBondContact N-O 2.85Å; L280-S307 PolarHBondContact O-N 3.28Å
308	L	95.8	Very high	91.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.5	166.8	-174.5	68.9	0	0	0	109.1	G147 I185 V189 L274 N278 F279 F311	G147-L308 WeakPolarHBondContact CA-O 3.12Å; I185-L308 HydrophobicContact CG2-CB 4.01Å; I185-L308 HydrophobicContact CG2-CD2 4.15Å; V189-L308 HydrophobicContact CG2-CD2 3.93Å; L274-L308 HydrophobicContact CD2-CD1 4.13Å; N278-L308 WeakPolarHBondContact O-CA 3.43Å; F279-L308 HydrophobicContact CD1-CD1 3.97Å; F279-L308 HydrophobicContact CE1-CD1 3.56Å; F279-L308 HydrophobicContact CE2-CD1 4.35Å; F279-L308 HydrophobicContact CZ-CD1 3.78Å; L308-F311 HydrophobicContact CB-CE1 4.43Å; L308-F311 HydrophobicContact CD2-CE1 4.06Å; L308-F311 HydrophobicContact CG-CE1 3.9Å; L308-F311 WeakPolarHBondContact O-CZ 3.28Å
309	I	92.8	Very high	92	Very high	40 Å²	40	43 Å²	43	21%	0.205	22%	0.223	C	C	.	.			trans	-138.1	177.2	178.6	62.3	156.6	0	0	0	110.7	P148 H271 N278 L280	P148-I309 HydrophobicContact CG-CG2 3.76Å; H271-I309 PolarHBondContact CE1-O 3.24Å; H271-I309 PolarHBondContact NE2-O 3.25Å; N278-I309 HydrophobicContact CB-CG1 4.45Å; N278-I309 WeakPolarHBondContact O-CG1 3.37Å; N278-I309 PolarHBondContact O-N 2.93Å; L280-I309 HydrophobicContact CD1-CD1 3.97Å; L280-I309 HydrophobicContact CD1-CG1 4.29Å; L280-I309 HydrophobicContact CD1-CG2 3.56Å; L280-I309 HydrophobicContact CD2-CD1 3.92Å; L280-I309 HydrophobicContact CD2-CG1 4.44Å; L280-I309 HydrophobicContact CG-CD1 3.96Å; L280-I309 HydrophobicContact CG-CG1 4.08Å; L280-I309 HydrophobicContact CG-CG2 4.01Å
310	D	87.2	Confident	92.3	Very high	41 Å²	41	37 Å²	37	22%	0.219	20%	0.197	C	C	.	.			trans	63.7	68.7	173.5	-150.2	-8	0	0	0	115.4	H271 N278 E312	H271-D310 PolarHBondContact CE1-O 3.2Å; H271-D310 PolarHBondContact NE2-O 3.15Å; N278-D310 WeakPolarHBondContact OD1-CB 3.35Å; D310-E312 PolarHBondContact O-N 3.42Å
311	F	89.5	Confident	92.6	Very high	10 Å²	10	32.8 Å²	32.8	4%	0.044	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-84	21.2	-176.3	-48.4	-51.5	0	0	0	114.1	V137 F138 L141 H271 L308 Y313 C314	V137-F311 HydrophobicContact CG1-CB 3.81Å; V137-F311 HydrophobicContact CG1-CG 4.45Å; F138-F311 AromaticContact CD2-CD2 3.84Å; F138-F311 HydrophobicContact CD2-CD2 3.84Å; F138-F311 HydrophobicContact CD2-CE2 4.32Å; F138-F311 HydrophobicContact CE2-CD2 4.29Å; F138-F311 HydrophobicContact CE2-CE2 4.4Å; F138-F311 HydrophobicContact CG-CD2 4.48Å; L141-F311 HydrophobicContact CB-CD2 4.48Å; L141-F311 HydrophobicContact CB-CE2 4.04Å; L141-F311 HydrophobicContact CB-CZ 4.21Å; L141-F311 HydrophobicContact CD1-CB 4.11Å; L141-F311 HydrophobicContact CD1-CD1 3.37Å; L141-F311 HydrophobicContact CD1-CD2 3.56Å; L141-F311 HydrophobicContact CD1-CE1 3.55Å; L141-F311 HydrophobicContact CD1-CE2 3.73Å; L141-F311 HydrophobicContact CD1-CG 3.38Å; L141-F311 HydrophobicContact CD1-CZ 3.73Å; H271-F311 AromaticContact CD2-CD1 3.7Å; H271-F311 AromaticContact NE2-CD1 3.55Å; H271-F311 AromaticContact NE2-CE1 3.95Å; L308-F311 HydrophobicContact CB-CE1 4.43Å; L308-F311 HydrophobicContact CD2-CE1 4.06Å; L308-F311 HydrophobicContact CG-CE1 3.9Å; L308-F311 WeakPolarHBondContact O-CZ 3.28Å; F311-Y313 VanDerWaalsContact C-N 3.3Å; F311-Y313 PolarHBondContact O-N 3.36Å; F311-C314 HydrophobicContact CB-CB 4.41Å; F311-C314 WeakPolarHBondContact O-CB 3.39Å; F311-C314 PolarHBondContact O-N 2.99Å
312	E	83.8	Confident	93.1	Very high	35 Å²	35	31.9 Å²	31.9	16%	0.164	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-61.8	-36.7	-175.1	-178.4	170.5	163.2	0	0	112.4	S96 D310	S96-E312 WeakPolarHBondContact CB-OE1 3.4Å; S96-E312 PolarHBondContact OG-OE1 3.32Å; S96-E312 PolarHBondContact OG-OE2 3.27Å; D310-E312 PolarHBondContact O-N 3.42Å
313	Y	89.2	Confident	93.8	Very high	50 Å²	50	24 Å²	24	20%	0.196	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-94.6	1.8	-178.2	-63.9	-70.6	0	0	0	114	W209 H271 N272 D273 F311 S315 W409 W412	W209-Y313 HydrophobicContact CH2-CE1 4.25Å; W209-Y313 HydrophobicContact CZ2-CE1 4.09Å; H271-Y313 CarbonylContact O-C 3.59Å; N272-Y313 WeakPolarHBondContact CB-O 3.33Å; N272-Y313 PolarHBondContact ND2-O 2.97Å; D273-Y313 HydrophobicContact CB-CD2 3.8Å; D273-Y313 HydrophobicContact CB-CG 4.46Å; F311-Y313 VanDerWaalsContact C-N 3.3Å; F311-Y313 PolarHBondContact O-N 3.36Å; Y313-S315 PolarHBondContact O-N 3.12Å; Y313-W409 HydrophobicContact CD2-CH2 4.3Å; Y313-W409 HydrophobicContact CE2-CH2 4.12Å; Y313-W412 PolarHBondContact OH-NE1 3.4Å
314	C	94.1	Very high	94.3	Very high	17 Å²	17	18.8 Å²	18.8	12%	0.115	9%	0.094	C	C	.	.			trans	-61.9	129.5	-175.3	-77.2	0	0	0	0	112.6	V137 F269 S270 F311	V137-C314 HydrophobicContact CG1-CB 3.77Å; V137-C314 HydrophobicContact CG2-CB 4.41Å; F269-C314 HydrophobicContact CE2-CB 3.95Å; F269-C314 HydrophobicContact CZ-CB 3.7Å; S270-C314 VanDerWaalsContact O-CA 3.28Å; S270-C314 WeakPolarHBondContact O-CA 3.41Å; F311-C314 HydrophobicContact CB-CB 4.41Å; F311-C314 WeakPolarHBondContact O-CB 3.39Å; F311-C314 PolarHBondContact O-N 2.99Å
315	S	94.9	Very high	94.8	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.112	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	170.9	176.8	78.4	0	0	0	0	110.6	S270 N272 Y313	S270-S315 PolarHBondContact N-O 3.19Å; S270-S315 PolarHBondContact O-N 3.23Å; S270-S315 VanDerWaalsContact O-N 3.15Å; N272-S315 PolarHBondContact ND2-N 2.86Å; N272-S315 PolarHBondContact ND2-OG 3.46Å; Y313-S315 PolarHBondContact O-N 3.12Å
316	Y	95.7	Very high	95	Very high	18 Å²	18	14 Å²	14	7%	0.071	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	137.3	157.9	-79.8	-99	0	0	0	109.6	D193 A194 I196 P197 K198 P200 Q201 V267 V268 F269	D193-Y316 WeakPolarHBondContact CA-OH 3.08Å; D193-Y316 PolarHBondContact OD1-OH 3.48Å; A194-Y316 HydrophobicContact CB-CE2 4.07Å; A194-Y316 PolarHBondContact N-OH 3.08Å; A194-Y316 WeakPolarHBondContact O-CE2 3.44Å; A194-Y316 PolarHBondContact O-OH 2.94Å; I196-Y316 HydrophobicContact CD1-CD2 4.19Å; I196-Y316 HydrophobicContact CD1-CE2 4.48Å; I196-Y316 HydrophobicContact CG1-CD2 3.79Å; I196-Y316 HydrophobicContact CG1-CE2 3.84Å; P197-Y316 VanDerWaalsContact O-CD2 3.23Å; P197-Y316 WeakPolarHBondContact O-CD2 3.46Å; K198-Y316 HydrophobicContact CD-CD1 3.96Å; K198-Y316 HydrophobicContact CD-CD2 3.84Å; K198-Y316 HydrophobicContact CD-CE1 3.57Å; K198-Y316 HydrophobicContact CD-CE2 3.45Å; K198-Y316 VanDerWaalsContact CD-CE2 3.45Å; K198-Y316 HydrophobicContact CD-CG 4.07Å; K198-Y316 WeakPolarHBondContact CE-OH 3.23Å; K198-Y316 VanDerWaalsContact O-CB 3.29Å; K198-Y316 WeakPolarHBondContact O-CB 3.13Å; P200-Y316 WeakPolarHBondContact CA-O 3.39Å; Q201-Y316 PolarHBondContact N-O 2.86Å; V267-Y316 HydrophobicContact CG1-CD1 4.28Å; V268-Y316 CarbonylContact O-C 3.46Å; V268-Y316 WeakPolarHBondContact O-CA 3.47Å; F269-Y316 HydrophobicContact CB-CE1 4.23Å; F269-Y316 HydrophobicContact CB-CE2 4.26Å; F269-Y316 HydrophobicContact CD2-CD2 4.39Å; F269-Y316 HydrophobicContact CD2-CE2 4.25Å
317	N	96.9	Very high	95.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	170.9	-177.5	-163.9	18.3	0	0	0	111.7	T202 V267 V268 N272 R319 F321	T202-N317 PolarHBondContact OG1-ND2 2.57Å; T202-N317 PolarHBondContact OG1-OD1 3.3Å; V267-N317 CarbonylContact C-O 3.56Å; V267-N317 VanDerWaalsContact CA-O 3.31Å; V267-N317 WeakPolarHBondContact CA-O 3.31Å; V268-N317 PolarHBondContact N-O 3.35Å; V268-N317 PolarHBondContact O-N 3.2Å; V268-N317 VanDerWaalsContact O-O 3.05Å; N272-N317 WeakPolarHBondContact OD1-CB 3.39Å; N272-N317 PolarHBondContact OD1-ND2 3.12Å; N317-R319 PolarHBondContact O-N 3.15Å; N317-F321 VanDerWaalsContact ND2-CB 3.31Å; N317-F321 WeakPolarHBondContact ND2-CB 3.48Å; N317-F321 WeakPolarHBondContact ND2-CD1 3.32Å; N317-F321 WeakPolarHBondContact ND2-CG 3.2Å
318	Y	97.4	Very high	95.3	Very high	38 Å²	38	13 Å²	13	15%	0.149	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	127.2	173.8	-59	-83.1	0	0	0	110.5	P200 L260 P266 V267 G320 F321 F401	P200-Y318 HydrophobicContact CB-CD2 3.88Å; P200-Y318 HydrophobicContact CB-CE2 3.51Å; P200-Y318 HydrophobicContact CG-CD2 4.48Å; P200-Y318 HydrophobicContact CG-CE2 3.68Å; L260-Y318 HydrophobicContact CB-CE2 3.93Å; L260-Y318 HydrophobicContact CD1-CD2 4.48Å; L260-Y318 HydrophobicContact CD1-CE2 3.97Å; L260-Y318 HydrophobicContact CD2-CD2 3.76Å; L260-Y318 HydrophobicContact CD2-CE2 3.83Å; L260-Y318 HydrophobicContact CD2-CG 4.26Å; L260-Y318 HydrophobicContact CG-CE2 4.12Å; P266-Y318 CarbonylContact O-C 3.28Å; P266-Y318 WeakPolarHBondContact O-CA 3.42Å; V267-Y318 HydrophobicContact CG2-CD1 4.21Å; V267-Y318 HydrophobicContact CG2-CE1 4.22Å; Y318-G320 PolarHBondContact O-N 3.41Å; Y318-G320 VanDerWaalsContact O-N 3.12Å; Y318-F321 VanDerWaalsContact O-CB 3.27Å; Y318-F321 WeakPolarHBondContact O-CB 3.44Å; Y318-F321 PolarHBondContact O-N 3.44Å; Y318-F401 VanDerWaalsContact CB-CE1 3.5Å; Y318-F401 HydrophobicContact CD1-CZ 4.47Å; Y318-F401 HydrophobicContact CD2-CE1 4.33Å; Y318-F401 AromaticContact CG-CE1 3.94Å; Y318-F401 HydrophobicContact CG-CE1 3.94Å; Y318-F401 HydrophobicContact CG-CZ 4.16Å
319	R	97.8	Very high	95.4	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-47.8	-42.2	172.2	174.4	-177.6	68.3	-168.7	1.2	112	S265 P266 V268 N317 F321 D322 L323 Y362 L382 E397	S265-R319 PolarHBondContact OG-N 2.88Å; P266-R319 PolarHBondContact O-N 3.39Å; V268-R319 HydrophobicContact CG1-CB 4.35Å; V268-R319 HydrophobicContact CG2-CB 3.88Å; N317-R319 PolarHBondContact O-N 3.15Å; R319-F321 PolarHBondContact O-N 3.13Å; R319-D322 PolarHBondContact O-N 3.42Å; R319-L323 HydrophobicContact CG-CD1 3.85Å; R319-L323 HydrophobicContact CG-CG 4.23Å; R319-L323 WeakPolarHBondContact O-CG 3.48Å; R319-L323 PolarHBondContact O-N 2.99Å; R319-Y362 VanDerWaalsContact CD-OH 3.25Å; R319-Y362 WeakPolarHBondContact CD-OH 3.43Å; R319-L382 PolarHBondContact NH1-O 2.62Å; R319-E397 IonicContact CZ-OE1 3.49Å; R319-E397 IonicContact CZ-OE2 2.78Å; R319-E397 IonicContact NE-OE1 3.93Å; R319-E397 IonicContact NE-OE2 3.4Å; R319-E397 PolarHBondContact NE-OE2 3.02Å; R319-E397 IonicContact NH2-OE1 3.87Å; R319-E397 PolarHBondContact NH2-OE1 3.07Å; R319-E397 IonicContact NH2-OE2 2.98Å; R319-E397 PolarHBondContact NH2-OE2 3.36Å
320	G	98	Very high	95.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-54.5	-35.6	177.6	0	0	0	0	0	112.7	S265 Y318 L323 G324 F401	S265-G320 PolarHBondContact OG-N 3.07Å; Y318-G320 PolarHBondContact O-N 3.41Å; Y318-G320 VanDerWaalsContact O-N 3.12Å; G320-L323 PolarHBondContact O-N 3.19Å; G320-G324 PolarHBondContact O-N 2.82Å; G320-F401 VanDerWaalsContact C-CD1 3.41Å; G320-F401 WeakPolarHBondContact O-CB 3.49Å; G320-F401 WeakPolarHBondContact O-CG 3.47Å
321	F	98.6	Very high	96	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.4	-49.2	179.1	-175.7	-91	0	0	0	111.9	T202 N272 N317 Y318 R319 L323 G324 N325 F401 V404 F408	T202-F321 HydrophobicContact CG2-CD2 3.7Å; T202-F321 HydrophobicContact CG2-CE2 3.44Å; T202-F321 VanDerWaalsContact CG2-CE2 3.44Å; T202-F321 HydrophobicContact CG2-CG 4.47Å; T202-F321 HydrophobicContact CG2-CZ 4.05Å; N272-F321 HydrophobicContact CB-CD1 4.47Å; N272-F321 HydrophobicContact CB-CE1 4.07Å; N317-F321 VanDerWaalsContact ND2-CB 3.31Å; N317-F321 WeakPolarHBondContact ND2-CB 3.48Å; N317-F321 WeakPolarHBondContact ND2-CD1 3.32Å; N317-F321 WeakPolarHBondContact ND2-CG 3.2Å; Y318-F321 VanDerWaalsContact O-CB 3.27Å; Y318-F321 WeakPolarHBondContact O-CB 3.44Å; Y318-F321 PolarHBondContact O-N 3.44Å; R319-F321 PolarHBondContact O-N 3.13Å; F321-L323 VanDerWaalsContact C-N 3.33Å; F321-L323 PolarHBondContact O-N 2.96Å; F321-G324 PolarHBondContact O-N 3.26Å; F321-N325 HydrophobicContact CE1-CB 4.49Å; F321-N325 WeakPolarHBondContact O-CB 3.3Å; F321-N325 PolarHBondContact O-N 3.25Å; F321-F401 HydrophobicContact CB-CD1 3.95Å; F321-F401 HydrophobicContact CB-CE1 4.43Å; F321-V404 HydrophobicContact CD2-CG1 3.85Å; F321-V404 HydrophobicContact CE2-CG1 4.24Å; F321-F408 HydrophobicContact CE2-CB 3.89Å; F321-F408 HydrophobicContact CE2-CD1 4.36Å; F321-F408 HydrophobicContact CE2-CD2 4.39Å; F321-F408 AromaticContact CE2-CG 3.98Å; F321-F408 HydrophobicContact CE2-CG 3.98Å; F321-F408 HydrophobicContact CZ-CB 4.07Å; F321-F408 AromaticContact CZ-CD1 3.66Å; F321-F408 HydrophobicContact CZ-CD1 3.66Å; F321-F408 HydrophobicContact CZ-CD2 4.18Å; F321-F408 HydrophobicContact CZ-CE1 4.05Å; F321-F408 AromaticContact CZ-CG 3.72Å; F321-F408 HydrophobicContact CZ-CG 3.72Å; F321-F408 HydrophobicContact CZ-CZ 4.45Å
322	D	98.3	Very high	96.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.2	-44.4	177.6	-104.7	17.1	0	0	0	111.7	H190 S270 H271 N272 L274 R319 H326	H190-D322 IonicContact CD2-OD2 3.76Å; H190-D322 WeakPolarHBondContact NE2-CB 3.37Å; H190-D322 IonicContact NE2-OD2 3.15Å; H190-D322 PolarHBondContact NE2-OD2 2.59Å; S270-D322 WeakPolarHBondContact CA-OD2 3.44Å; S270-D322 WeakPolarHBondContact CB-OD2 3.41Å; H271-D322 PolarHBondContact N-OD2 3.17Å; N272-D322 WeakPolarHBondContact CA-OD1 3.15Å; N272-D322 PolarHBondContact N-OD1 2.85Å; L274-D322 HydrophobicContact CD1-CB 3.86Å; R319-D322 PolarHBondContact O-N 3.42Å; D322-H326 WeakPolarHBondContact O-CB 3.41Å; D322-H326 PolarHBondContact O-N 3.09Å
323	L	98.6	Very high	96.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.7	-52.1	178	-62.2	177	0	0	0	111.4	R319 G320 F321 N325 H326 F327 F358 Y362 I394	R319-L323 HydrophobicContact CG-CD1 3.85Å; R319-L323 HydrophobicContact CG-CG 4.23Å; R319-L323 WeakPolarHBondContact O-CG 3.48Å; R319-L323 PolarHBondContact O-N 2.99Å; G320-L323 PolarHBondContact O-N 3.19Å; F321-L323 VanDerWaalsContact C-N 3.33Å; F321-L323 PolarHBondContact O-N 2.96Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.29Å; L323-H326 PolarHBondContact O-N 2.83Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 PolarHBondContact O-N 3.35Å; L323-F358 HydrophobicContact CD2-CE1 3.76Å; L323-Y362 HydrophobicContact CD2-CD2 4.38Å; L323-Y362 HydrophobicContact CD2-CE2 4.47Å; L323-I394 HydrophobicContact CD1-CG2 3.78Å
324	G	98.4	Very high	97.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.6	-36.9	179.7	0	0	0	0	0	112.4	G320 F321 C328 S398	G320-G324 PolarHBondContact O-N 2.82Å; F321-G324 PolarHBondContact O-N 3.26Å; G324-C328 PolarHBondContact O-N 2.97Å; G324-C328 PolarHBondContact O-SG 2.78Å; G324-C328 VanDerWaalsContact O-SG 3.39Å; G324-S398 WeakPolarHBondContact CA-O 3.38Å
325	N	98.6	Very high	96.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.7	-51.2	172.6	-169.1	74.5	0	0	0	111.2	L274 F321 L323 F327 C328 E329 S405 W409	L274-N325 PolarHBondContact N-ND2 3.18Å; F321-N325 HydrophobicContact CE1-CB 4.49Å; F321-N325 WeakPolarHBondContact O-CB 3.3Å; F321-N325 PolarHBondContact O-N 3.25Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.29Å; N325-F327 VanDerWaalsContact C-N 3.27Å; N325-F327 PolarHBondContact O-N 3.1Å; N325-C328 WeakPolarHBondContact O-CA 3.48Å; N325-C328 WeakPolarHBondContact O-CB 3.4Å; N325-C328 PolarHBondContact O-N 3.41Å; N325-E329 WeakPolarHBondContact O-CG 3.47Å; N325-E329 PolarHBondContact O-N 2.85Å; N325-S405 PolarHBondContact OD1-OG 2.9Å; N325-W409 PolarHBondContact OD1-NE1 2.92Å
326	H	98.6	Very high	96.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57	-40	179	-174.3	56	0	0	0	112.6	L274 D322 L323 E329 Y330 F358	L274-H326 HydrophobicContact CB-CB 3.91Å; L274-H326 HydrophobicContact CD1-CB 4.22Å; L274-H326 PolarHBondContact O-ND1 3.2Å; D322-H326 WeakPolarHBondContact O-CB 3.41Å; D322-H326 PolarHBondContact O-N 3.09Å; L323-H326 PolarHBondContact O-N 2.83Å; H326-E329 PolarHBondContact O-N 3.22Å; H326-E329 VanDerWaalsContact O-N 3.15Å; H326-Y330 AromaticContact CD2-CE1 3.84Å; H326-Y330 AromaticContact CE1-CE1 3.91Å; H326-Y330 AromaticContact NE2-CE1 3.45Å; H326-Y330 WeakPolarHBondContact NE2-CE1 3.49Å; H326-Y330 WeakPolarHBondContact O-CD1 3.48Å; H326-Y330 PolarHBondContact O-N 3.39Å; H326-F358 AromaticContact CD2-CD2 3.91Å; H326-F358 AromaticContact CD2-CE2 3.29Å; H326-F358 WeakPolarHBondContact CD2-CE2 3.45Å; H326-F358 AromaticContact CD2-CZ 3.64Å; H326-F358 AromaticContact NE2-CD2 3.84Å; H326-F358 AromaticContact NE2-CE2 3.29Å; H326-F358 VanDerWaalsContact NE2-CE2 3.29Å; H326-F358 WeakPolarHBondContact NE2-CE2 3.09Å
327	F	98.4	Very high	96.4	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-75.1	-22	175.7	-68.8	-61.6	0	0	0	114.2	L323 N325 Y330 R355 F358	L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 PolarHBondContact O-N 3.35Å; N325-F327 VanDerWaalsContact C-N 3.27Å; N325-F327 PolarHBondContact O-N 3.1Å; F327-Y330 HydrophobicContact CD1-CD2 4.04Å; F327-Y330 HydrophobicContact CD1-CE1 4.32Å; F327-Y330 AromaticContact CD1-CE2 3.71Å; F327-Y330 HydrophobicContact CD1-CE2 3.71Å; F327-Y330 HydrophobicContact CD1-CG 4.48Å; F327-Y330 AromaticContact CD1-CZ 3.86Å; F327-Y330 AromaticContact CE1-CE2 3.85Å; F327-Y330 HydrophobicContact CE1-CE2 3.85Å; F327-Y330 AromaticContact CE1-CZ 3.83Å; F327-R355 HydrophobicContact CD1-CB 4.44Å; F327-R355 HydrophobicContact CD1-CG 4.46Å; F327-R355 HydrophobicContact CD2-CG 4.49Å; F327-R355 HydrophobicContact CE1-CB 3.91Å; F327-R355 HydrophobicContact CE1-CG 3.93Å; F327-R355 HydrophobicContact CE2-CG 3.97Å; F327-R355 HydrophobicContact CZ-CB 4.11Å; F327-R355 HydrophobicContact CZ-CG 3.66Å; F327-F358 HydrophobicContact CE1-CB 4.15Å; F327-F358 HydrophobicContact CE1-CG 4.27Å; F327-F358 HydrophobicContact CE2-CD1 4.3Å; F327-F358 HydrophobicContact CZ-CB 3.85Å; F327-F358 AromaticContact CZ-CD1 3.71Å; F327-F358 HydrophobicContact CZ-CD1 3.71Å; F327-F358 HydrophobicContact CZ-CE1 4.46Å; F327-F358 AromaticContact CZ-CG 3.8Å; F327-F358 HydrophobicContact CZ-CG 3.8Å
328	C	98.2	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-43.9	163.1	-79.3	0	0	0	0	110.1	G324 N325 Y330 G331 Y332 F349	G324-C328 PolarHBondContact O-N 2.97Å; G324-C328 PolarHBondContact O-SG 2.78Å; G324-C328 VanDerWaalsContact O-SG 3.39Å; N325-C328 WeakPolarHBondContact O-CA 3.48Å; N325-C328 WeakPolarHBondContact O-CB 3.4Å; N325-C328 PolarHBondContact O-N 3.41Å; C328-Y330 PolarHBondContact O-N 3.4Å; C328-Y330 VanDerWaalsContact O-N 3.15Å; C328-G331 PolarHBondContact O-N 3.49Å; C328-G331 VanDerWaalsContact O-N 3.09Å; C328-Y332 HydrophobicContact CB-CD2 4.31Å; C328-Y332 HydrophobicContact CB-CE2 3.95Å; C328-Y332 WeakPolarHBondContact O-CD2 3.38Å; C328-F349 WeakPolarHBondContact O-CE1 3.4Å
329	E	98.1	Very high	95.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-15.1	-177.2	-59.5	-49.9	136	0	0	113.9	I173 Q275 N325 H326 G331 Y332 Y334 R433	I173-E329 HydrophobicContact CD1-CB 4.11Å; Q275-E329 HydrophobicContact CB-CB 4.4Å; Q275-E329 HydrophobicContact CB-CG 3.91Å; N325-E329 WeakPolarHBondContact O-CG 3.47Å; N325-E329 PolarHBondContact O-N 2.85Å; H326-E329 PolarHBondContact O-N 3.22Å; H326-E329 VanDerWaalsContact O-N 3.15Å; E329-G331 PolarHBondContact O-N 2.94Å; E329-G331 VanDerWaalsContact O-N 3.1Å; E329-Y332 PolarHBondContact O-N 3.39Å; E329-Y334 VanDerWaalsContact CD-OH 3.31Å; E329-Y334 PolarHBondContact OE1-OH 3.02Å; E329-Y334 WeakPolarHBondContact OE2-CE2 3.5Å; E329-Y334 VanDerWaalsContact OE2-CZ 3.26Å; E329-Y334 PolarHBondContact OE2-OH 3.26Å; E329-R433 IonicContact OE1-NH1 3.98Å; E329-R433 PolarHBondContact OE1-NH1 2.98Å
330	Y	97.4	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.7	170.3	-78.9	18.3	0	0	0	113.6	I173 S179 H326 F327 C328 Y348 V351	I173-Y330 HydrophobicContact CB-CE1 4.4Å; I173-Y330 HydrophobicContact CD1-CD1 3.85Å; I173-Y330 HydrophobicContact CD1-CE1 4.27Å; I173-Y330 HydrophobicContact CG1-CD1 3.94Å; I173-Y330 HydrophobicContact CG1-CE1 4.19Å; I173-Y330 WeakPolarHBondContact O-CE1 3.42Å; I173-Y330 PolarHBondContact O-OH 3Å; S179-Y330 PolarHBondContact OG-OH 2.84Å; H326-Y330 AromaticContact CD2-CE1 3.84Å; H326-Y330 AromaticContact CE1-CE1 3.91Å; H326-Y330 AromaticContact NE2-CE1 3.45Å; H326-Y330 WeakPolarHBondContact NE2-CE1 3.49Å; H326-Y330 WeakPolarHBondContact O-CD1 3.48Å; H326-Y330 PolarHBondContact O-N 3.39Å; F327-Y330 HydrophobicContact CD1-CD2 4.04Å; F327-Y330 HydrophobicContact CD1-CE1 4.32Å; F327-Y330 AromaticContact CD1-CE2 3.71Å; F327-Y330 HydrophobicContact CD1-CE2 3.71Å; F327-Y330 HydrophobicContact CD1-CG 4.48Å; F327-Y330 AromaticContact CD1-CZ 3.86Å; F327-Y330 AromaticContact CE1-CE2 3.85Å; F327-Y330 HydrophobicContact CE1-CE2 3.85Å; F327-Y330 AromaticContact CE1-CZ 3.83Å; C328-Y330 PolarHBondContact O-N 3.4Å; C328-Y330 VanDerWaalsContact O-N 3.15Å; Y330-Y348 WeakPolarHBondContact O-CB 3.06Å; Y330-V351 HydrophobicContact CD2-CG2 3.97Å; Y330-V351 HydrophobicContact CE2-CG2 4.35Å
331	G	96.3	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-117.9	-4.2	-177.5	0	0	0	0	0	114.9	C328 E329 I344 H345 F349	C328-G331 PolarHBondContact O-N 3.49Å; C328-G331 VanDerWaalsContact O-N 3.09Å; E329-G331 PolarHBondContact O-N 2.94Å; E329-G331 VanDerWaalsContact O-N 3.1Å; G331-I344 CarbonylContact O-C 3.45Å; G331-I344 VanDerWaalsContact O-CA 3.26Å; G331-I344 WeakPolarHBondContact O-CA 3.44Å; G331-H345 PolarHBondContact O-N 3.22Å; G331-F349 VanDerWaalsContact CA-CE1 3.49Å
332	Y	96.4	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.3	172.2	-66.7	-73.3	0	0	0	108.9	C170 C328 E329 Y334 I344 F349 N406 Y429 R433 L436	C170-Y332 VanDerWaalsContact SG-C 3.54Å; C170-Y332 PolarHBondContact SG-O 3.02Å; C328-Y332 HydrophobicContact CB-CD2 4.31Å; C328-Y332 HydrophobicContact CB-CE2 3.95Å; C328-Y332 WeakPolarHBondContact O-CD2 3.38Å; E329-Y332 PolarHBondContact O-N 3.39Å; Y332-Y334 WeakPolarHBondContact CB-OH 3.23Å; Y332-I344 HydrophobicContact CD1-CD1 4.18Å; Y332-I344 HydrophobicContact CD1-CG1 3.79Å; Y332-I344 HydrophobicContact CE1-CD1 3.58Å; Y332-I344 HydrophobicContact CE1-CG1 3.68Å; Y332-I344 HydrophobicContact CE1-CG2 4.45Å; Y332-F349 HydrophobicContact CD2-CZ 4.47Å; Y332-F349 HydrophobicContact CE2-CE1 4.29Å; Y332-F349 AromaticContact CE2-CZ 3.92Å; Y332-F349 HydrophobicContact CE2-CZ 3.92Å; Y332-F349 AromaticContact CZ-CZ 3.95Å; Y332-N406 PolarHBondContact OH-OD1 3.03Å; Y332-N406 VanDerWaalsContact OH-OD1 3.1Å; Y332-Y429 AromaticContact CD1-CE2 3.89Å; Y332-Y429 HydrophobicContact CD1-CE2 3.89Å; Y332-Y429 HydrophobicContact CE1-CE2 4.18Å; Y332-R433 VanDerWaalsContact CD2-NH1 3.34Å; Y332-R433 VanDerWaalsContact CE1-CD 3.46Å; Y332-R433 VanDerWaalsContact CE2-NH1 3.26Å; Y332-R433 WeakPolarHBondContact OH-CD 3.46Å; Y332-L436 HydrophobicContact CE1-CD1 4.46Å; Y332-L436 WeakPolarHBondContact OH-CD1 3.44Å
333	D	95.8	Very high	95.3	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.128	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.5	175.4	-170.5	-18.1	0	0	0	108.6	C170 N335 Y342 K343 H345	C170-D333 HydrophobicContact CB-CB 3.78Å; D333-N335 WeakPolarHBondContact OD1-CB 3.39Å; D333-N335 PolarHBondContact OD1-N 3.14Å; D333-Y342 CarbonylContact O-C 3.6Å; D333-Y342 WeakPolarHBondContact O-CA 3.32Å; D333-Y342 WeakPolarHBondContact O-CB 3.36Å; D333-K343 HydrophobicContact CB-CB 4.36Å; D333-K343 PolarHBondContact N-O 3.41Å; D333-K343 PolarHBondContact O-N 3.01Å; D333-H345 IonicContact OD2-NE2 3.52Å
334	Y	93.1	Very high	95.2	Very high	60 Å²	60	37.3 Å²	37.3	24%	0.235	20%	0.202	C	C	.	.			trans	-96.1	2.5	-178.4	-51.8	-73.2	0	0	0	113.1	Q275 E276 E329 Y332 E336 F424 Y429	Q275-Y334 HydrophobicContact CB-CE2 4.47Å; E276-Y334 WeakPolarHBondContact OE1-CD2 3.39Å; E329-Y334 VanDerWaalsContact CD-OH 3.31Å; E329-Y334 PolarHBondContact OE1-OH 3.02Å; E329-Y334 WeakPolarHBondContact OE2-CE2 3.5Å; E329-Y334 VanDerWaalsContact OE2-CZ 3.26Å; E329-Y334 PolarHBondContact OE2-OH 3.26Å; Y332-Y334 WeakPolarHBondContact CB-OH 3.23Å; Y334-E336 VanDerWaalsContact C-N 3.29Å; Y334-E336 PolarHBondContact O-N 3.31Å; Y334-F424 HydrophobicContact CD1-CE2 4.22Å; Y334-Y429 HydrophobicContact CE1-CE2 4.04Å; Y334-Y429 PolarHBondContact OH-OH 3.44Å; Y334-Y429 VanDerWaalsContact OH-OH 3.07Å
335	N	89.6	Confident	95.1	Very high	114 Å²	114	38.7 Å²	38.7	61%	0.61	21%	0.209	S	C	*	.			trans	-94.5	44.6	-176.4	-163.7	14.9	0	0	0	112.5	Q169 D333	Q169-N335 PolarHBondContact OE1-ND2 3.25Å; D333-N335 WeakPolarHBondContact OD1-CB 3.39Å; D333-N335 PolarHBondContact OD1-N 3.14Å
336	E	91.5	Very high	94.9	Very high	64 Å²	64	40.5 Å²	40.5	30%	0.299	22%	0.217	S	C	.	.			trans	-102.4	125.8	178.7	-67.5	-68.6	168.2	0	0	110.7	Y334 E338 K343	Y334-E336 VanDerWaalsContact C-N 3.29Å; Y334-E336 PolarHBondContact O-N 3.31Å; E336-E338 VanDerWaalsContact C-N 3.31Å; E336-E338 PolarHBondContact O-N 3.29Å; E336-K343 HydrophobicContact CG-CB 3.84Å; E336-K343 WeakPolarHBondContact OE1-CB 3.47Å; E336-K343 WeakPolarHBondContact OE1-CD 3.29Å
337	A	89.4	Confident	94.6	Very high	96 Å²	96	46.1 Å²	46.1	79%	0.793	24%	0.243	S	C	*	.	S	Bend	trans	-76.1	-18	-176	0	0	0	0	0	113.8
338	E	92.4	Very high	94.5	Very high	159 Å²	159	48.6 Å²	48.6	74%	0.743	25%	0.253	S	S	*	.	S	Bend	trans	-120.3	155.9	-176.4	-63.7	-172.8	171.7	0	0	111.1	E336 Y341	E336-E338 VanDerWaalsContact C-N 3.31Å; E336-E338 PolarHBondContact O-N 3.29Å; E338-Y341 WeakPolarHBondContact O-CA 3.47Å; E338-Y341 PolarHBondContact O-N 3.37Å
339	A	90.6	Very high	94.3	Very high	73 Å²	73	49.1 Å²	49.1	60%	0.603	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	135.2	176.2	0	0	0	0	0	111.1	Y341	A339-Y341 VanDerWaalsContact C-N 3.35Å; A339-Y341 HydrophobicContact CB-CD2 4.4Å; A339-Y341 HydrophobicContact CB-CE2 4.01Å
340	P	95.4	Very high	94.1	Very high	10 Å²	10	56 Å²	56	7%	0.065	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.5	14.1	14.9	37.9	-38.7	0	0	0	115.1	T228 Q229 Y342 D425 A428	T228-P340 HydrophobicContact CG2-CB 4.2Å; T228-P340 HydrophobicContact CG2-CG 3.85Å; Q229-P340 HydrophobicContact CG-CG 3.96Å; P340-Y342 HydrophobicContact CB-CD1 3.94Å; P340-Y342 HydrophobicContact CB-CE1 3.54Å; P340-Y342 HydrophobicContact CG-CD1 3.92Å; P340-Y342 HydrophobicContact CG-CE1 3.65Å; P340-Y342 HydrophobicContact CG-CG 4.46Å; P340-Y342 WeakPolarHBondContact O-CD1 3.34Å; P340-Y342 PolarHBondContact O-N 3.36Å; P340-D425 HydrophobicContact CB-CB 3.82Å; P340-D425 PolarHBondContact O-N 3.4Å; P340-A428 HydrophobicContact CB-CB 4.24Å
341	Y	92.4	Very high	93.9	Very high	83 Å²	83	57.1 Å²	57.1	33%	0.325	29%	0.294	S	S	.	.	S	Bend	trans	67	18.7	-178	-47.7	-79.6	0	0	0	114.1	E338 A339 A423	E338-Y341 WeakPolarHBondContact O-CA 3.47Å; E338-Y341 PolarHBondContact O-N 3.37Å; A339-Y341 VanDerWaalsContact C-N 3.35Å; A339-Y341 HydrophobicContact CB-CD2 4.4Å; A339-Y341 HydrophobicContact CB-CE2 4.01Å; Y341-A423 WeakPolarHBondContact CD2-O 3.37Å; Y341-A423 HydrophobicContact CE2-CB 4.39Å
342	Y	95.4	Very high	93.9	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	33%	0.33	C	S	.	.			trans	-151.5	164.9	166.8	70.7	-85.7	0	0	0	111	Q229 D333 P340 I344 F424 A428 Y429 D432	Q229-Y342 HydrophobicContact CB-CD2 4.5Å; Q229-Y342 HydrophobicContact CB-CE2 3.83Å; Q229-Y342 HydrophobicContact CG-CD2 4.12Å; Q229-Y342 HydrophobicContact CG-CE2 3.64Å; D333-Y342 CarbonylContact O-C 3.6Å; D333-Y342 WeakPolarHBondContact O-CA 3.32Å; D333-Y342 WeakPolarHBondContact O-CB 3.36Å; P340-Y342 HydrophobicContact CB-CD1 3.94Å; P340-Y342 HydrophobicContact CB-CE1 3.54Å; P340-Y342 HydrophobicContact CG-CD1 3.92Å; P340-Y342 HydrophobicContact CG-CE1 3.65Å; P340-Y342 HydrophobicContact CG-CG 4.46Å; P340-Y342 WeakPolarHBondContact O-CD1 3.34Å; P340-Y342 PolarHBondContact O-N 3.36Å; Y342-I344 HydrophobicContact CD2-CG1 4.06Å; Y342-I344 HydrophobicContact CE2-CD1 3.93Å; Y342-I344 HydrophobicContact CE2-CG1 3.93Å; Y342-F424 HydrophobicContact CD1-CE1 4.42Å; Y342-F424 AromaticContact CD1-CE2 3.81Å; Y342-F424 HydrophobicContact CD1-CE2 3.81Å; Y342-F424 AromaticContact CD1-CZ 3.64Å; Y342-F424 HydrophobicContact CD1-CZ 3.64Å; Y342-F424 HydrophobicContact CE1-CZ 4.37Å; Y342-F424 HydrophobicContact CG-CE2 4.25Å; Y342-F424 HydrophobicContact CG-CZ 4.18Å; Y342-A428 HydrophobicContact CE1-CB 4.31Å; Y342-A428 PolarHBondContact OH-O 3.4Å; Y342-Y429 HydrophobicContact CD1-CD2 4.09Å; Y342-Y429 HydrophobicContact CD2-CD2 4.02Å; Y342-Y429 HydrophobicContact CE1-CD2 4.07Å; Y342-Y429 HydrophobicContact CE1-CG 4.37Å; Y342-Y429 HydrophobicContact CE2-CD2 4.03Å; Y342-Y429 HydrophobicContact CG-CD2 4.09Å; Y342-Y429 WeakPolarHBondContact OH-CA 3.23Å; Y342-Y429 PolarHBondContact OH-N 3.25Å; Y342-Y429 VanDerWaalsContact OH-N 3.16Å; Y342-D432 PolarHBondContact OH-OD2 3Å
343	K	96.7	Very high	93.9	Very high	83 Å²	83	72.2 Å²	72.2	36%	0.361	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.5	174.2	-177.7	172.8	179.2	-178.5	0	111.3	D333 E336 H345	D333-K343 HydrophobicContact CB-CB 4.36Å; D333-K343 PolarHBondContact N-O 3.41Å; D333-K343 PolarHBondContact O-N 3.01Å; E336-K343 HydrophobicContact CG-CB 3.84Å; E336-K343 WeakPolarHBondContact OE1-CB 3.47Å; E336-K343 WeakPolarHBondContact OE1-CD 3.29Å; K343-H345 VanDerWaalsContact CE-CE1 3.5Å; K343-H345 WeakPolarHBondContact CE-CE1 3.29Å
344	I	97.3	Very high	93.9	Very high	14 Å²	14	73.6 Å²	73.6	7%	0.072	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.7	178.1	-57.3	178.9	0	0	0	110.6	Q229 A230 G331 Y332 Y342 Q346 F349 D432 L436	Q229-I344 HydrophobicContact CB-CB 4.01Å; Q229-I344 HydrophobicContact CB-CD1 3.9Å; Q229-I344 HydrophobicContact CB-CG1 3.74Å; A230-I344 HydrophobicContact CB-CD1 4.11Å; G331-I344 CarbonylContact O-C 3.45Å; G331-I344 VanDerWaalsContact O-CA 3.26Å; G331-I344 WeakPolarHBondContact O-CA 3.44Å; Y332-I344 HydrophobicContact CD1-CD1 4.18Å; Y332-I344 HydrophobicContact CD1-CG1 3.79Å; Y332-I344 HydrophobicContact CE1-CD1 3.58Å; Y332-I344 HydrophobicContact CE1-CG1 3.68Å; Y332-I344 HydrophobicContact CE1-CG2 4.45Å; Y342-I344 HydrophobicContact CD2-CG1 4.06Å; Y342-I344 HydrophobicContact CE2-CD1 3.93Å; Y342-I344 HydrophobicContact CE2-CG1 3.93Å; I344-Q346 VanDerWaalsContact C-N 3.34Å; I344-Q346 HydrophobicContact CG2-CB 4.14Å; I344-Q346 PolarHBondContact O-N 3.18Å; I344-F349 HydrophobicContact CG2-CE2 3.96Å; I344-F349 HydrophobicContact CG2-CZ 3.84Å; I344-D432 HydrophobicContact CD1-CB 3.68Å; I344-L436 HydrophobicContact CD1-CD1 4.16Å; I344-L436 HydrophobicContact CG2-CD1 4.34Å
345	H	96.3	Very high	94.2	Very high	30 Å²	30	71.4 Å²	71.4	14%	0.139	36%	0.359	C	S	.	.			trans	-90.4	65.7	171	-61.5	-83.7	0	0	0	111.1	G331 D333 K343 H347 Y348	G331-H345 PolarHBondContact O-N 3.22Å; D333-H345 IonicContact OD2-NE2 3.52Å; K343-H345 VanDerWaalsContact CE-CE1 3.5Å; K343-H345 WeakPolarHBondContact CE-CE1 3.29Å; H345-H347 PolarHBondContact O-N 3.38Å; H345-Y348 HydrophobicContact CB-CD2 3.53Å; H345-Y348 HydrophobicContact CB-CE2 3.98Å; H345-Y348 PolarHBondContact O-N 3.2Å
346	Q	93.5	Very high	94.6	Very high	38 Å²	38	70.8 Å²	70.8	18%	0.178	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-54.1	-25	-169.2	-168.6	170.4	-24.3	0	0	115.7	K231 I344 Y348 F349 L436	K231-Q346 PolarHBondContact O-NE2 2.74Å; K231-Q346 PolarHBondContact O-OE1 2.95Å; K231-Q346 VanDerWaalsContact O-OE1 3.11Å; I344-Q346 VanDerWaalsContact C-N 3.34Å; I344-Q346 HydrophobicContact CG2-CB 4.14Å; I344-Q346 PolarHBondContact O-N 3.18Å; Q346-Y348 PolarHBondContact O-N 3Å; Q346-F349 HydrophobicContact CB-CD2 4.28Å; Q346-F349 HydrophobicContact CB-CE2 4.2Å; Q346-F349 HydrophobicContact CG-CD2 3.68Å; Q346-F349 HydrophobicContact CG-CE2 3.88Å; Q346-F349 WeakPolarHBondContact O-CB 3.4Å; Q346-F349 WeakPolarHBondContact O-CG 3.34Å; Q346-F349 PolarHBondContact O-N 3.07Å; Q346-F349 VanDerWaalsContact O-N 3.1Å; Q346-L436 HydrophobicContact CG-CD2 4.2Å
347	H	93.6	Very high	94.9	Very high	117 Å²	117	69 Å²	69	54%	0.542	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.7	175.7	65.1	-78.3	0	0	0	113.4	H345 F349 E350	H345-H347 PolarHBondContact O-N 3.38Å; H347-F349 PolarHBondContact O-N 3.15Å; H347-E350 PolarHBondContact O-N 2.87Å
348	Y	95.3	Very high	95.3	Very high	53 Å²	53	64.4 Å²	64.4	21%	0.208	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-73.2	-9	174.3	-74.3	-73.3	0	0	0	113.9	L171 Y330 H345 Q346 E350 V351	L171-Y348 HydrophobicContact CD2-CD2 4.26Å; L171-Y348 HydrophobicContact CD2-CE2 3.45Å; L171-Y348 VanDerWaalsContact CD2-CE2 3.45Å; Y330-Y348 WeakPolarHBondContact O-CB 3.06Å; H345-Y348 HydrophobicContact CB-CD2 3.53Å; H345-Y348 HydrophobicContact CB-CE2 3.98Å; H345-Y348 PolarHBondContact O-N 3.2Å; Q346-Y348 PolarHBondContact O-N 3Å; Y348-E350 PolarHBondContact O-N 3.36Å; Y348-V351 HydrophobicContact CD1-CG1 4.05Å; Y348-V351 WeakPolarHBondContact O-CG2 3.39Å
349	F	94.6	Very high	95.6	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.048	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-76.6	-16.1	174.9	-57.1	-21.6	0	0	0	112.7	C328 G331 Y332 I344 Q346 H347 R355 M402 L436	C328-F349 WeakPolarHBondContact O-CE1 3.4Å; G331-F349 VanDerWaalsContact CA-CE1 3.49Å; Y332-F349 HydrophobicContact CD2-CZ 4.47Å; Y332-F349 HydrophobicContact CE2-CE1 4.29Å; Y332-F349 AromaticContact CE2-CZ 3.92Å; Y332-F349 HydrophobicContact CE2-CZ 3.92Å; Y332-F349 AromaticContact CZ-CZ 3.95Å; I344-F349 HydrophobicContact CG2-CE2 3.96Å; I344-F349 HydrophobicContact CG2-CZ 3.84Å; Q346-F349 HydrophobicContact CB-CD2 4.28Å; Q346-F349 HydrophobicContact CB-CE2 4.2Å; Q346-F349 HydrophobicContact CG-CD2 3.68Å; Q346-F349 HydrophobicContact CG-CE2 3.88Å; Q346-F349 WeakPolarHBondContact O-CB 3.4Å; Q346-F349 WeakPolarHBondContact O-CG 3.34Å; Q346-F349 PolarHBondContact O-N 3.07Å; Q346-F349 VanDerWaalsContact O-N 3.1Å; H347-F349 PolarHBondContact O-N 3.15Å; F349-R355 PolarHBondContact O-NH2 3.42Å; F349-M402 HydrophobicContact CB-CE 3.74Å; F349-M402 HydrophobicContact CD1-CE 3.98Å; F349-M402 HydrophobicContact CG-CE 3.95Å; F349-L436 HydrophobicContact CD2-CD2 4.41Å; F349-L436 HydrophobicContact CE2-CD1 3.8Å; F349-L436 HydrophobicContact CE2-CD2 4.08Å; F349-L436 HydrophobicContact CZ-CD1 4.41Å
350	E	93.3	Very high	96	Very high	146 Å²	146	56.9 Å²	56.9	68%	0.682	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-111.7	13.5	-174.4	-58.9	-172.9	159	0	0	113.1	H347 Y348 E352	H347-E350 PolarHBondContact O-N 2.87Å; Y348-E350 PolarHBondContact O-N 3.36Å; E350-E352 PolarHBondContact O-N 3.46Å
351	V	94	Very high	96.2	Very high	23 Å²	23	57 Å²	57	14%	0.139	26%	0.26	C	S	.	.			trans	-76.2	89.6	-177.6	-67.3	0	0	0	0	112.8	Y330 Y348 E354 R355	Y330-V351 HydrophobicContact CD2-CG2 3.97Å; Y330-V351 HydrophobicContact CE2-CG2 4.35Å; Y348-V351 HydrophobicContact CD1-CG1 4.05Å; Y348-V351 WeakPolarHBondContact O-CG2 3.39Å; V351-E354 HydrophobicContact CB-CB 4.14Å; V351-E354 HydrophobicContact CB-CG 4.44Å; V351-E354 WeakPolarHBondContact CB-OE2 3.41Å; V351-E354 HydrophobicContact CG2-CB 3.98Å; V351-R355 WeakPolarHBondContact O-CB 3.37Å; V351-R355 PolarHBondContact O-N 3.42Å; V351-R355 VanDerWaalsContact O-N 3.17Å
352	E	96	Very high	96.5	Very high	161 Å²	161	53 Å²	53	75%	0.752	25%	0.245	S	C	*	.	H	α-helix	trans	-66.8	-41	-176.4	-64.4	-174.1	171.8	0	0	113.6	E350 K356	E350-E352 PolarHBondContact O-N 3.46Å; E352-K356 WeakPolarHBondContact O-CB 3.44Å; E352-K356 PolarHBondContact O-N 3.47Å
353	K	96.4	Very high	96.6	Very high	157 Å²	157	53 Å²	53	68%	0.683	25%	0.245	S	C	*	.	H	α-helix	trans	-70.6	-47.7	-174.6	-177.8	-175.9	174.9	-170.4	0	111.3	K356 V357	K353-K356 PolarHBondContact O-N 2.95Å; K353-V357 WeakPolarHBondContact O-CG2 3.47Å; K353-V357 PolarHBondContact O-N 3.35Å
354	E	96.3	Very high	96.7	Very high	53 Å²	53	53.3 Å²	53.3	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-44.7	178.6	-68.8	67.8	-157.6	0	0	110.2	P176 V351 K356 V357 F358	P176-E354 HydrophobicContact CG-CG 4.46Å; V351-E354 HydrophobicContact CB-CB 4.14Å; V351-E354 HydrophobicContact CB-CG 4.44Å; V351-E354 WeakPolarHBondContact CB-OE2 3.41Å; V351-E354 HydrophobicContact CG2-CB 3.98Å; E354-K356 PolarHBondContact O-N 2.72Å; E354-V357 PolarHBondContact O-N 3.5Å; E354-F358 PolarHBondContact O-N 3.07Å
355	R	97.6	Very high	96.6	Very high	13 Å²	13	53.4 Å²	53.4	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-48	172.8	177.8	179.8	-69.5	146	4.2	111.8	F327 F349 V351 V357 F358 C359 S398	F327-R355 HydrophobicContact CD1-CB 4.44Å; F327-R355 HydrophobicContact CD1-CG 4.46Å; F327-R355 HydrophobicContact CD2-CG 4.49Å; F327-R355 HydrophobicContact CE1-CB 3.91Å; F327-R355 HydrophobicContact CE1-CG 3.93Å; F327-R355 HydrophobicContact CE2-CG 3.97Å; F327-R355 HydrophobicContact CZ-CB 4.11Å; F327-R355 HydrophobicContact CZ-CG 3.66Å; F349-R355 PolarHBondContact O-NH2 3.42Å; V351-R355 WeakPolarHBondContact O-CB 3.37Å; V351-R355 PolarHBondContact O-N 3.42Å; V351-R355 VanDerWaalsContact O-N 3.17Å; R355-V357 VanDerWaalsContact C-N 3.33Å; R355-V357 PolarHBondContact O-N 2.97Å; R355-F358 WeakPolarHBondContact O-CB 3.29Å; R355-F358 PolarHBondContact O-N 3.16Å; R355-C359 PolarHBondContact O-N 3.38Å; R355-C359 PolarHBondContact O-SG 3.02Å; R355-S398 VanDerWaalsContact CD-OG 3.31Å; R355-S398 WeakPolarHBondContact CD-OG 3.43Å
356	K	98.2	Very high	96.7	Very high	102 Å²	102	52 Å²	52	44%	0.443	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-42.3	178.5	-177.1	170.3	177.4	173.7	0	112	E352 K353 E354 F358 C359 E360 I395	E352-K356 WeakPolarHBondContact O-CB 3.44Å; E352-K356 PolarHBondContact O-N 3.47Å; K353-K356 PolarHBondContact O-N 2.95Å; E354-K356 PolarHBondContact O-N 2.72Å; K356-F358 VanDerWaalsContact C-N 3.34Å; K356-F358 PolarHBondContact O-N 3.24Å; K356-C359 PolarHBondContact O-N 3.19Å; K356-E360 WeakPolarHBondContact CE-OE1 3.12Å; K356-E360 HydrophobicContact CG-CG 4.31Å; K356-E360 WeakPolarHBondContact O-CB 3.18Å; K356-E360 VanDerWaalsContact O-CG 3.32Å; K356-E360 WeakPolarHBondContact O-CG 3.32Å; K356-E360 PolarHBondContact O-N 2.8Å; K356-I395 HydrophobicContact CB-CD1 4.43Å; K356-I395 HydrophobicContact CG-CD1 4.23Å
357	V	98.4	Very high	96.8	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.152	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-44.9	176.2	170.4	0	0	0	0	111.5	P176 K180 K353 E354 R355 A361	P176-V357 HydrophobicContact CB-CG1 4.21Å; K180-V357 HydrophobicContact CD-CG1 4.44Å; K180-V357 HydrophobicContact CG-CG1 3.94Å; K353-V357 WeakPolarHBondContact O-CG2 3.47Å; K353-V357 PolarHBondContact O-N 3.35Å; E354-V357 PolarHBondContact O-N 3.5Å; R355-V357 VanDerWaalsContact C-N 3.33Å; R355-V357 PolarHBondContact O-N 2.97Å; V357-A361 PolarHBondContact O-N 3.23Å; V357-A361 VanDerWaalsContact O-N 3.13Å
358	F	98.6	Very high	96.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-50.2	175.5	-177.2	-76.2	0	0	0	111.3	I182 A183 V186 L323 H326 F327 E354 R355 K356 E360 A361 Y362	I182-F358 HydrophobicContact CB-CE2 4.23Å; I182-F358 HydrophobicContact CG2-CE2 3.77Å; I182-F358 HydrophobicContact CG2-CZ 4.43Å; A183-F358 HydrophobicContact CB-CD1 3.95Å; A183-F358 HydrophobicContact CB-CD2 3.76Å; A183-F358 HydrophobicContact CB-CE1 3.87Å; A183-F358 HydrophobicContact CB-CE2 3.71Å; A183-F358 HydrophobicContact CB-CG 3.87Å; A183-F358 HydrophobicContact CB-CZ 3.76Å; A183-F358 VanDerWaalsContact CB-O 3.28Å; A183-F358 WeakPolarHBondContact CB-O 3.42Å; V186-F358 HydrophobicContact CG2-CZ 4.31Å; L323-F358 HydrophobicContact CD2-CE1 3.76Å; H326-F358 AromaticContact CD2-CD2 3.91Å; H326-F358 AromaticContact CD2-CE2 3.29Å; H326-F358 WeakPolarHBondContact CD2-CE2 3.45Å; H326-F358 AromaticContact CD2-CZ 3.64Å; H326-F358 AromaticContact NE2-CD2 3.84Å; H326-F358 AromaticContact NE2-CE2 3.29Å; H326-F358 VanDerWaalsContact NE2-CE2 3.29Å; H326-F358 WeakPolarHBondContact NE2-CE2 3.09Å; F327-F358 HydrophobicContact CE1-CB 4.15Å; F327-F358 HydrophobicContact CE1-CG 4.27Å; F327-F358 HydrophobicContact CE2-CD1 4.3Å; F327-F358 HydrophobicContact CZ-CB 3.85Å; F327-F358 AromaticContact CZ-CD1 3.71Å; F327-F358 HydrophobicContact CZ-CD1 3.71Å; F327-F358 HydrophobicContact CZ-CE1 4.46Å; F327-F358 AromaticContact CZ-CG 3.8Å; F327-F358 HydrophobicContact CZ-CG 3.8Å; E354-F358 PolarHBondContact O-N 3.07Å; R355-F358 WeakPolarHBondContact O-CB 3.29Å; R355-F358 PolarHBondContact O-N 3.16Å; K356-F358 VanDerWaalsContact C-N 3.34Å; K356-F358 PolarHBondContact O-N 3.24Å; F358-E360 VanDerWaalsContact C-N 3.32Å; F358-E360 PolarHBondContact O-N 2.74Å; F358-A361 PolarHBondContact O-N 2.88Å; F358-Y362 WeakPolarHBondContact O-CB 3.36Å; F358-Y362 PolarHBondContact O-N 3.23Å
359	C	98.7	Very high	96.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-36.8	-177.6	-64.1	0	0	0	0	112.5	R355 K356 L363 L391 I394 I395	R355-C359 PolarHBondContact O-N 3.38Å; R355-C359 PolarHBondContact O-SG 3.02Å; K356-C359 PolarHBondContact O-N 3.19Å; C359-L363 VanDerWaalsContact O-CB 3.26Å; C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 PolarHBondContact O-N 3.08Å; C359-L391 HydrophobicContact CB-CD1 3.74Å; C359-I394 HydrophobicContact CB-CG2 3.86Å; C359-I395 HydrophobicContact CB-CG1 3.8Å
360	E	98.7	Very high	96.6	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-48.9	173.6	-76	173.6	168.6	0	0	111.4	K356 F358 Y362 L363 D364 L391	K356-E360 WeakPolarHBondContact CE-OE1 3.12Å; K356-E360 HydrophobicContact CG-CG 4.31Å; K356-E360 WeakPolarHBondContact O-CB 3.18Å; K356-E360 VanDerWaalsContact O-CG 3.32Å; K356-E360 WeakPolarHBondContact O-CG 3.32Å; K356-E360 PolarHBondContact O-N 2.8Å; F358-E360 VanDerWaalsContact C-N 3.32Å; F358-E360 PolarHBondContact O-N 2.74Å; E360-Y362 PolarHBondContact O-N 3.16Å; E360-L363 PolarHBondContact O-N 3.13Å; E360-D364 PolarHBondContact O-N 3.12Å; E360-L391 HydrophobicContact CG-CD1 3.92Å; E360-L391 HydrophobicContact CG-CD2 3.82Å
361	A	98.4	Very high	96.5	Very high	11 Å²	11	53.8 Å²	53.8	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-38.4	178.8	0	0	0	0	0	112.6	K180 A183 V357 F358 E365	K180-A361 HydrophobicContact CG-CB 4.32Å; A183-A361 HydrophobicContact CB-CB 3.88Å; V357-A361 PolarHBondContact O-N 3.23Å; V357-A361 VanDerWaalsContact O-N 3.13Å; F358-A361 PolarHBondContact O-N 2.88Å; A361-E365 PolarHBondContact O-N 3.41Å; A361-E365 VanDerWaalsContact O-N 3.17Å
362	Y	98.7	Very high	96.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-49.1	172.6	175.5	-87.3	0	0	0	110.2	V186 A187 H190 R319 L323 F358 E360 D364 E365 V366 I394	V186-Y362 HydrophobicContact CB-CD2 4.44Å; V186-Y362 HydrophobicContact CG1-CD2 4.37Å; V186-Y362 HydrophobicContact CG1-CE2 4.12Å; A187-Y362 VanDerWaalsContact CA-CE2 3.42Å; A187-Y362 HydrophobicContact CB-CD2 3.69Å; A187-Y362 HydrophobicContact CB-CE2 3.75Å; A187-Y362 HydrophobicContact CB-CG 4.27Å; H190-Y362 AromaticContact ND1-CE2 3.41Å; H190-Y362 WeakPolarHBondContact ND1-CE2 3.48Å; H190-Y362 AromaticContact ND1-CZ 3.51Å; H190-Y362 PolarHBondContact ND1-OH 3.21Å; R319-Y362 VanDerWaalsContact CD-OH 3.25Å; R319-Y362 WeakPolarHBondContact CD-OH 3.43Å; L323-Y362 HydrophobicContact CD2-CD2 4.38Å; L323-Y362 HydrophobicContact CD2-CE2 4.47Å; F358-Y362 WeakPolarHBondContact O-CB 3.36Å; F358-Y362 PolarHBondContact O-N 3.23Å; E360-Y362 PolarHBondContact O-N 3.16Å; Y362-D364 PolarHBondContact O-N 3.39Å; Y362-E365 PolarHBondContact O-N 3.46Å; Y362-V366 HydrophobicContact CD1-CG2 3.99Å; Y362-V366 HydrophobicContact CE1-CG2 3.5Å; Y362-V366 VanDerWaalsContact CE1-CG2 3.5Å; Y362-V366 HydrophobicContact CE2-CG2 4.38Å; Y362-V366 WeakPolarHBondContact O-CG2 3.42Å; Y362-V366 PolarHBondContact O-N 2.85Å; Y362-I394 HydrophobicContact CD1-CD1 3.94Å; Y362-I394 HydrophobicContact CD1-CG2 4.34Å; Y362-I394 HydrophobicContact CE1-CD1 4.04Å
363	L	98.3	Very high	95.4	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-42	-179.2	-173.1	62	0	0	0	112	C359 E360 E365 V366 Y367 V383 R387 D390 L391 I394	C359-L363 VanDerWaalsContact O-CB 3.26Å; C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 PolarHBondContact O-N 3.08Å; E360-L363 PolarHBondContact O-N 3.13Å; L363-E365 PolarHBondContact O-N 3.44Å; L363-V366 PolarHBondContact O-N 2.9Å; L363-Y367 HydrophobicContact CD1-CD2 3.66Å; L363-Y367 HydrophobicContact CD1-CE2 3.46Å; L363-Y367 VanDerWaalsContact CD1-CE2 3.46Å; L363-Y367 HydrophobicContact CD2-CE2 4.47Å; L363-Y367 HydrophobicContact CG-CD2 3.87Å; L363-Y367 HydrophobicContact CG-CE2 3.9Å; L363-Y367 WeakPolarHBondContact O-CD2 3.34Å; L363-Y367 PolarHBondContact O-N 2.76Å; L363-V383 HydrophobicContact CD1-CG1 3.7Å; L363-R387 WeakPolarHBondContact CD2-O 3.2Å; L363-D390 HydrophobicContact CD1-CB 3.89Å; L363-D390 HydrophobicContact CD2-CB 4.38Å; L363-L391 HydrophobicContact CD2-CB 3.77Å; L363-L391 HydrophobicContact CD2-CD1 4.43Å; L363-I394 HydrophobicContact CB-CD1 4.33Å; L363-I394 HydrophobicContact CD1-CD1 3.68Å
364	D	97.9	Very high	94.6	Very high	89 Å²	89	49.1 Å²	49.1	48%	0.476	27%	0.266	S	S	.	.	H	α-helix	trans	-55.2	-49.8	174.8	-77.1	-22.1	0	0	0	111.7	E360 Y362 Y367 K368 R387	E360-D364 PolarHBondContact O-N 3.12Å; Y362-D364 PolarHBondContact O-N 3.39Å; D364-Y367 PolarHBondContact O-N 3.33Å; D364-K368 WeakPolarHBondContact O-CB 3.42Å; D364-K368 PolarHBondContact O-N 3.48Å; D364-R387 IonicContact OD1-CZ 3.87Å; D364-R387 IonicContact OD1-NH1 3.29Å; D364-R387 IonicContact OD1-NH2 2.6Å; D364-R387 PolarHBondContact OD1-NH2 3.01Å
365	E	96.9	Very high	93.8	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-40.5	179.1	-170.3	74.6	172.1	0	0	111.5	P184 A187 R188 A361 Y362 L363 Y367 K368 M369	P184-E365 HydrophobicContact CB-CB 3.91Å; P184-E365 HydrophobicContact CB-CG 3.79Å; P184-E365 HydrophobicContact CG-CB 4.36Å; A187-E365 HydrophobicContact CB-CB 3.8Å; A187-E365 HydrophobicContact CB-CG 3.93Å; R188-E365 WeakPolarHBondContact CD-OE1 3.24Å; R188-E365 HydrophobicContact CG-CG 4.04Å; R188-E365 WeakPolarHBondContact CG-OE1 3.48Å; R188-E365 IonicContact CZ-OE1 3.67Å; R188-E365 IonicContact NH1-OE1 3.14Å; R188-E365 PolarHBondContact NH1-OE1 3.43Å; A361-E365 PolarHBondContact O-N 3.41Å; A361-E365 VanDerWaalsContact O-N 3.17Å; Y362-E365 PolarHBondContact O-N 3.46Å; L363-E365 PolarHBondContact O-N 3.44Å; E365-Y367 VanDerWaalsContact C-N 3.34Å; E365-Y367 PolarHBondContact O-N 3.08Å; E365-K368 WeakPolarHBondContact O-CB 3.49Å; E365-K368 PolarHBondContact O-N 3.48Å; E365-K368 IonicContact OE1-NZ 3.62Å; E365-K368 PolarHBondContact OE1-NZ 2.93Å; E365-K368 VanDerWaalsContact OE2-CD 3.22Å; E365-K368 WeakPolarHBondContact OE2-CD 3.49Å; E365-K368 IonicContact OE2-NZ 2.75Å; E365-K368 PolarHBondContact OE2-NZ 3.37Å; E365-M369 HydrophobicContact CG-CG 4.32Å; E365-M369 VanDerWaalsContact O-CG 3.26Å; E365-M369 WeakPolarHBondContact O-CG 3.4Å; E365-M369 PolarHBondContact O-N 3.25Å
366	V	96.5	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-45.2	175.8	171.4	0	0	0	0	111.8	A187 Y362 L363 M369 R370 F378 L382 V383	A187-V366 HydrophobicContact CB-CG2 3.76Å; Y362-V366 HydrophobicContact CD1-CG2 3.99Å; Y362-V366 HydrophobicContact CE1-CG2 3.5Å; Y362-V366 VanDerWaalsContact CE1-CG2 3.5Å; Y362-V366 HydrophobicContact CE2-CG2 4.38Å; Y362-V366 WeakPolarHBondContact O-CG2 3.42Å; Y362-V366 PolarHBondContact O-N 2.85Å; L363-V366 PolarHBondContact O-N 2.9Å; V366-M369 PolarHBondContact O-N 3.2Å; V366-R370 WeakPolarHBondContact O-CB 3.47Å; V366-R370 PolarHBondContact O-N 3.46Å; V366-F378 HydrophobicContact CG1-CZ 3.85Å; V366-L382 HydrophobicContact CG1-CD2 3.68Å; V366-L382 HydrophobicContact CG1-CG 3.96Å; V366-L382 HydrophobicContact CG2-CD2 4.17Å; V366-V383 HydrophobicContact CG1-CB 4.47Å; V366-V383 HydrophobicContact CG1-CG1 3.58Å; V366-V383 HydrophobicContact CG1-CG2 4.03Å
367	Y	95.8	Very high	91.7	Very high	41 Å²	41	52.9 Å²	52.9	16%	0.161	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-37.6	177.4	-91.5	-94.4	0	0	0	112.4	L363 D364 E365 R370 A371 V383 G385 D386 R387 D390	L363-Y367 HydrophobicContact CD1-CD2 3.66Å; L363-Y367 HydrophobicContact CD1-CE2 3.46Å; L363-Y367 VanDerWaalsContact CD1-CE2 3.46Å; L363-Y367 HydrophobicContact CD2-CE2 4.47Å; L363-Y367 HydrophobicContact CG-CD2 3.87Å; L363-Y367 HydrophobicContact CG-CE2 3.9Å; L363-Y367 WeakPolarHBondContact O-CD2 3.34Å; L363-Y367 PolarHBondContact O-N 2.76Å; D364-Y367 PolarHBondContact O-N 3.33Å; E365-Y367 VanDerWaalsContact C-N 3.34Å; E365-Y367 PolarHBondContact O-N 3.08Å; Y367-R370 PolarHBondContact O-N 3.16Å; Y367-A371 WeakPolarHBondContact O-CB 3.49Å; Y367-A371 PolarHBondContact O-N 3.45Å; Y367-V383 HydrophobicContact CD2-CG1 4.12Å; Y367-V383 HydrophobicContact CE2-CB 3.92Å; Y367-V383 HydrophobicContact CE2-CG1 3.66Å; Y367-V383 HydrophobicContact CE2-CG2 4.38Å; Y367-G385 WeakPolarHBondContact OH-CA 3.43Å; Y367-G385 PolarHBondContact OH-N 3.26Å; Y367-G385 PolarHBondContact OH-O 2.68Å; Y367-D386 PolarHBondContact OH-N 2.72Å; Y367-R387 HydrophobicContact CD2-CG 4.43Å; Y367-R387 VanDerWaalsContact CD2-NH1 3.31Å; Y367-R387 HydrophobicContact CE1-CG 3.98Å; Y367-R387 HydrophobicContact CE2-CG 3.85Å; Y367-D390 PolarHBondContact OH-OD2 3.23Å
368	K	94.8	Very high	91	Very high	111 Å²	111	53.4 Å²	53.4	48%	0.483	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-47.6	173.6	177	-166.6	168.7	-162.6	0	111.2	D364 E365 R370 A371 C372	D364-K368 WeakPolarHBondContact O-CB 3.42Å; D364-K368 PolarHBondContact O-N 3.48Å; E365-K368 WeakPolarHBondContact O-CB 3.49Å; E365-K368 PolarHBondContact O-N 3.48Å; E365-K368 IonicContact OE1-NZ 3.62Å; E365-K368 PolarHBondContact OE1-NZ 2.93Å; E365-K368 VanDerWaalsContact OE2-CD 3.22Å; E365-K368 WeakPolarHBondContact OE2-CD 3.49Å; E365-K368 IonicContact OE2-NZ 2.75Å; E365-K368 PolarHBondContact OE2-NZ 3.37Å; K368-R370 VanDerWaalsContact C-N 3.31Å; K368-R370 PolarHBondContact O-N 2.71Å; K368-A371 PolarHBondContact O-N 2.88Å; K368-A371 VanDerWaalsContact O-N 3.08Å; K368-C372 PolarHBondContact O-N 2.84Å; K368-C372 PolarHBondContact O-SG 3.41Å
369	M	92.8	Very high	89.9	Confident	45 Å²	45	54.6 Å²	54.6	22%	0.222	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-40.4	177.7	-67.4	-58.5	-73.7	0	0	111.9	R188 T191 E365 V366 A371 C372 F378	R188-M369 HydrophobicContact CG-CE 4.37Å; R188-M369 HydrophobicContact CG-CG 4.45Å; R188-M369 HydrophobicContact CG-SD 4.14Å; T191-M369 HydrophobicContact CG2-CB 4.1Å; T191-M369 HydrophobicContact CG2-CG 4.43Å; E365-M369 HydrophobicContact CG-CG 4.32Å; E365-M369 VanDerWaalsContact O-CG 3.26Å; E365-M369 WeakPolarHBondContact O-CG 3.4Å; E365-M369 PolarHBondContact O-N 3.25Å; V366-M369 PolarHBondContact O-N 3.2Å; M369-A371 VanDerWaalsContact C-N 3.32Å; M369-A371 PolarHBondContact O-N 2.95Å; M369-C372 PolarHBondContact O-N 2.83Å; M369-F378 HydrophobicContact CB-CE2 4.08Å
370	R	91.3	Very high	88.7	Confident	117 Å²	117	59.7 Å²	59.7	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-41.6	173.1	-173.5	-179.5	177.7	179.4	3.5	112.1	V366 Y367 K368 F378 V383	V366-R370 WeakPolarHBondContact O-CB 3.47Å; V366-R370 PolarHBondContact O-N 3.46Å; Y367-R370 PolarHBondContact O-N 3.16Å; K368-R370 VanDerWaalsContact C-N 3.31Å; K368-R370 PolarHBondContact O-N 2.71Å; R370-F378 HydrophobicContact CB-CD2 4.42Å; R370-F378 HydrophobicContact CB-CE1 4.01Å; R370-F378 HydrophobicContact CB-CE2 3.87Å; R370-F378 HydrophobicContact CB-CZ 3.64Å; R370-F378 HydrophobicContact CG-CD1 4.34Å; R370-F378 HydrophobicContact CG-CE1 4.05Å; R370-F378 HydrophobicContact CG-CZ 4.21Å; R370-V383 PolarHBondContact NH1-O 3.4Å
371	A	91.5	Very high	87.8	Confident	88 Å²	88	60.3 Å²	60.3	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-73.5	-33.1	-177.9	0	0	0	0	0	113.3	Y367 K368 M369 G373	Y367-A371 WeakPolarHBondContact O-CB 3.49Å; Y367-A371 PolarHBondContact O-N 3.45Å; K368-A371 PolarHBondContact O-N 2.88Å; K368-A371 VanDerWaalsContact O-N 3.08Å; M369-A371 VanDerWaalsContact C-N 3.32Å; M369-A371 PolarHBondContact O-N 2.95Å; A371-G373 VanDerWaalsContact C-N 3.33Å; A371-G373 PolarHBondContact O-N 3.44Å
372	C	88.1	Confident	87.3	Confident	67 Å²	67	59.9 Å²	59.9	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-37.8	176.8	-68	0	0	0	0	112.3	K368 M369 D374	K368-C372 PolarHBondContact O-N 2.84Å; K368-C372 PolarHBondContact O-SG 3.41Å; M369-C372 PolarHBondContact O-N 2.83Å; C372-D374 PolarHBondContact O-N 2.88Å
373	G	80.1	Confident	87	Confident	52 Å²	52	60 Å²	60	54%	0.536	34%	0.342	S	S	.	.			trans	74.7	7.6	178.8	0	0	0	0	0	115.1	A371 N375	A371-G373 VanDerWaalsContact C-N 3.33Å; A371-G373 PolarHBondContact O-N 3.44Å; G373-N375 PolarHBondContact O-N 3.06Å
374	D	79.2	Confident	86.8	Confident	124 Å²	124	63.8 Å²	63.8	66%	0.663	37%	0.365	S	S	*	.			trans	-68.9	-18.2	-179.1	-66.2	-32.5	0	0	0	113.7	C372 P376	C372-D374 PolarHBondContact O-N 2.88Å; D374-P376 WeakPolarHBondContact O-CD 3.46Å
375	N	78.8	Confident	86.5	Confident	17 Å²	17	61.7 Å²	61.7	9%	0.091	36%	0.364	C	S	.	.			trans	-103.6	104.3	170	-176.5	9.4	0	0	0	110.3	T191 G373 H377 F378	T191-N375 PolarHBondContact O-ND2 3.49Å; G373-N375 PolarHBondContact O-N 3.06Å; N375-H377 PolarHBondContact ND2-O 2.7Å; N375-H377 PolarHBondContact O-N 3.38Å; N375-H377 WeakPolarHBondContact OD1-CA 3.46Å; N375-H377 PolarHBondContact OD1-N 2.99Å; N375-F378 HydrophobicContact CB-CB 4.47Å; N375-F378 PolarHBondContact ND2-N 3.24Å; N375-F378 PolarHBondContact O-N 3.34Å
376	P	75.1	Confident	86.4	Confident	108 Å²	108	64.9 Å²	64.9	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.6	175.8	28.8	-35	0	0	0	112.9	D374	D374-P376 WeakPolarHBondContact O-CD 3.46Å
377	H	77.8	Confident	86.4	Confident	122 Å²	122	69.5 Å²	69.5	57%	0.565	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	30.3	177.8	-57.7	-57.1	0	0	0	111.9	D193 N375	D193-H377 HydrophobicContact CB-CB 4.04Å; D193-H377 IonicContact OD2-CD2 2.79Å; D193-H377 PolarHBondContact OD2-CD2 2.87Å; D193-H377 IonicContact OD2-CG 2.8Å; N375-H377 PolarHBondContact ND2-O 2.7Å; N375-H377 PolarHBondContact O-N 3.38Å; N375-H377 WeakPolarHBondContact OD1-CA 3.46Å; N375-H377 PolarHBondContact OD1-N 2.99Å
378	F	82.1	Confident	86.5	Confident	36 Å²	36	74.4 Å²	74.4	16%	0.158	42%	0.423	C	S	.	.			trans	-54	128.1	174	-175.5	-83.7	0	0	0	109.8	T191 V366 M369 R370 N375 S380 L382 V383	T191-F378 HydrophobicContact CG2-CD2 4.07Å; T191-F378 HydrophobicContact CG2-CE2 3.55Å; T191-F378 HydrophobicContact CG2-CZ 4.37Å; V366-F378 HydrophobicContact CG1-CZ 3.85Å; M369-F378 HydrophobicContact CB-CE2 4.08Å; R370-F378 HydrophobicContact CB-CD2 4.42Å; R370-F378 HydrophobicContact CB-CE1 4.01Å; R370-F378 HydrophobicContact CB-CE2 3.87Å; R370-F378 HydrophobicContact CB-CZ 3.64Å; R370-F378 HydrophobicContact CG-CD1 4.34Å; R370-F378 HydrophobicContact CG-CE1 4.05Å; R370-F378 HydrophobicContact CG-CZ 4.21Å; N375-F378 HydrophobicContact CB-CB 4.47Å; N375-F378 PolarHBondContact ND2-N 3.24Å; N375-F378 PolarHBondContact O-N 3.34Å; F378-S380 PolarHBondContact O-N 3.43Å; F378-L382 HydrophobicContact CE1-CB 4.18Å; F378-L382 HydrophobicContact CE1-CD2 4.42Å; F378-L382 HydrophobicContact CE2-CD2 4.44Å; F378-L382 HydrophobicContact CZ-CB 4.43Å; F378-L382 HydrophobicContact CZ-CD2 3.94Å; F378-V383 HydrophobicContact CE1-CG2 4.32Å; F378-V383 HydrophobicContact CZ-CG2 4.44Å
379	P	76.8	Confident	86.6	Confident	25 Å²	25	75.2 Å²	75.2	16%	0.162	43%	0.427	C	S	.	.			trans	-64.2	111.1	-177.2	-16	27.7	0	0	0	110.2	D381 L382	P379-D381 PolarHBondContact O-N 2.92Å; P379-L382 HydrophobicContact CB-CB 4.22Å; P379-L382 WeakPolarHBondContact O-CB 3.43Å; P379-L382 PolarHBondContact O-N 2.79Å; P379-L382 VanDerWaalsContact O-N 3.1Å
380	S	72.8	Confident	86.8	Confident	108 Å²	108	73.3 Å²	73.3	76%	0.755	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.1	-171	56.7	0	0	0	0	113.4	F378	F378-S380 PolarHBondContact O-N 3.43Å
381	D	81	Confident	87.2	Confident	88 Å²	88	68.9 Å²	68.9	47%	0.471	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.4	177	64.4	-29.8	0	0	0	113.5	P266 P379 V383	P266-D381 WeakPolarHBondContact CG-O 3.13Å; P379-D381 PolarHBondContact O-N 2.92Å; D381-V383 PolarHBondContact O-N 2.87Å
382	L	87.4	Confident	87.5	Confident	2 Å²	2	69 Å²	69	1%	0.01	39%	0.391	C	S	.	.	S	Bend	trans	-66.5	-36.9	-177.9	-161.6	60.8	0	0	0	112.6	T191 P266 V268 R319 V366 F378 P379	T191-L382 HydrophobicContact CG2-CD2 3.94Å; P266-L382 HydrophobicContact CB-CD1 4.25Å; P266-L382 HydrophobicContact CG-CD1 4.49Å; V268-L382 HydrophobicContact CG1-CD1 3.6Å; R319-L382 PolarHBondContact NH1-O 2.62Å; V366-L382 HydrophobicContact CG1-CD2 3.68Å; V366-L382 HydrophobicContact CG1-CG 3.96Å; V366-L382 HydrophobicContact CG2-CD2 4.17Å; F378-L382 HydrophobicContact CE1-CB 4.18Å; F378-L382 HydrophobicContact CE1-CD2 4.42Å; F378-L382 HydrophobicContact CE2-CD2 4.44Å; F378-L382 HydrophobicContact CZ-CB 4.43Å; F378-L382 HydrophobicContact CZ-CD2 3.94Å; P379-L382 HydrophobicContact CB-CB 4.22Å; P379-L382 WeakPolarHBondContact O-CB 3.43Å; P379-L382 PolarHBondContact O-N 2.79Å; P379-L382 VanDerWaalsContact O-N 3.1Å
383	V	92.8	Very high	87.9	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	38%	0.383	C	S	.	.			trans	-145.2	137.3	178.6	-76.2	0	0	0	0	111.2	L363 V366 Y367 R370 F378 D381 D390	L363-V383 HydrophobicContact CD1-CG1 3.7Å; V366-V383 HydrophobicContact CG1-CB 4.47Å; V366-V383 HydrophobicContact CG1-CG1 3.58Å; V366-V383 HydrophobicContact CG1-CG2 4.03Å; Y367-V383 HydrophobicContact CD2-CG1 4.12Å; Y367-V383 HydrophobicContact CE2-CB 3.92Å; Y367-V383 HydrophobicContact CE2-CG1 3.66Å; Y367-V383 HydrophobicContact CE2-CG2 4.38Å; R370-V383 PolarHBondContact NH1-O 3.4Å; F378-V383 HydrophobicContact CE1-CG2 4.32Å; F378-V383 HydrophobicContact CZ-CG2 4.44Å; D381-V383 PolarHBondContact O-N 2.87Å; V383-D390 WeakPolarHBondContact CB-OD2 3.2Å; V383-D390 HydrophobicContact CG1-CB 4.36Å
384	T	92.5	Very high	88.8	Confident	81 Å²	81	66.5 Å²	66.5	50%	0.497	36%	0.358	S	S	.	.			trans	-79.3	-23.1	-178.7	63	0	0	0	0	113.1	D386 D390	T384-D386 PolarHBondContact OG1-N 3.49Å; T384-D390 WeakPolarHBondContact CB-OD1 3.27Å; T384-D390 WeakPolarHBondContact CG2-OD1 3.27Å; T384-D390 VanDerWaalsContact N-CG 3.33Å; T384-D390 PolarHBondContact N-OD1 3.08Å; T384-D390 PolarHBondContact N-OD2 2.9Å; T384-D390 PolarHBondContact OG1-OD1 3.04Å; T384-D390 PolarHBondContact OG1-OD2 2.83Å
385	G	91.7	Very high	89.7	Confident	44 Å²	44	62.4 Å²	62.4	45%	0.454	34%	0.335	S	S	.	.	S	Bend	trans	100.7	-13.5	-169.7	0	0	0	0	0	113.2	Y367 D390	Y367-G385 WeakPolarHBondContact OH-CA 3.43Å; Y367-G385 PolarHBondContact OH-N 3.26Å; Y367-G385 PolarHBondContact OH-O 2.68Å; G385-D390 PolarHBondContact N-OD2 2.83Å
386	D	96.1	Very high	90.6	Very high	84 Å²	84	66.1 Å²	66.1	45%	0.449	35%	0.352	S	S	.	.			trans	-93.3	102.3	168	-179.3	-20.4	0	0	0	109	Y367 T384 E388 K389 D390	Y367-D386 PolarHBondContact OH-N 2.72Å; T384-D386 PolarHBondContact OG1-N 3.49Å; D386-E388 VanDerWaalsContact C-N 3.31Å; D386-E388 PolarHBondContact O-N 2.67Å; D386-E388 PolarHBondContact OD1-N 2.95Å; D386-E388 VanDerWaalsContact OD1-N 3.12Å; D386-K389 HydrophobicContact CB-CB 3.91Å; D386-K389 PolarHBondContact O-N 2.77Å; D386-K389 PolarHBondContact OD1-N 2.8Å; D386-K389 VanDerWaalsContact OD1-N 3.14Å; D386-D390 WeakPolarHBondContact O-CB 3.35Å; D386-D390 PolarHBondContact O-N 3.14Å
387	R	96.3	Very high	91.7	Very high	96 Å²	96	61.2 Å²	61.2	36%	0.362	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-35.4	-175	-72.9	-167.5	63.3	92.5	5.9	113.6	L363 D364 Y367 L391	L363-R387 WeakPolarHBondContact CD2-O 3.2Å; D364-R387 IonicContact OD1-CZ 3.87Å; D364-R387 IonicContact OD1-NH1 3.29Å; D364-R387 IonicContact OD1-NH2 2.6Å; D364-R387 PolarHBondContact OD1-NH2 3.01Å; Y367-R387 HydrophobicContact CD2-CG 4.43Å; Y367-R387 VanDerWaalsContact CD2-NH1 3.31Å; Y367-R387 HydrophobicContact CE1-CG 3.98Å; Y367-R387 HydrophobicContact CE2-CG 3.85Å; R387-L391 VanDerWaalsContact O-CB 3.26Å; R387-L391 WeakPolarHBondContact O-CB 3.38Å; R387-L391 PolarHBondContact O-N 3.12Å
388	E	97.5	Very high	92.7	Very high	144 Å²	144	55.4 Å²	55.4	67%	0.673	29%	0.293	S	S	*	.	H	α-helix	trans	-71.1	-45.9	-179.3	-175.7	179.3	174.8	0	0	110.1	D386 D390 L391 N392	D386-E388 VanDerWaalsContact C-N 3.31Å; D386-E388 PolarHBondContact O-N 2.67Å; D386-E388 PolarHBondContact OD1-N 2.95Å; D386-E388 VanDerWaalsContact OD1-N 3.12Å; E388-D390 VanDerWaalsContact C-N 3.35Å; E388-D390 PolarHBondContact O-N 2.87Å; E388-L391 PolarHBondContact O-N 3.4Å; E388-N392 WeakPolarHBondContact O-CB 3.46Å; E388-N392 VanDerWaalsContact O-CG 3.31Å; E388-N392 PolarHBondContact O-N 3.35Å; E388-N392 PolarHBondContact O-ND2 2.9Å
389	K	97.3	Very high	93.4	Very high	129 Å²	129	56 Å²	56	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-61.1	-44.1	175.6	-174.6	179	179.1	179.3	0	112	D386 N392 K393	D386-K389 HydrophobicContact CB-CB 3.91Å; D386-K389 PolarHBondContact O-N 2.77Å; D386-K389 PolarHBondContact OD1-N 2.8Å; D386-K389 VanDerWaalsContact OD1-N 3.14Å; K389-N392 PolarHBondContact O-N 2.74Å; K389-K393 WeakPolarHBondContact O-CB 3.31Å; K389-K393 PolarHBondContact O-N 2.91Å
390	D	97.5	Very high	94.4	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-42.3	179.5	-67.1	-26.3	0	0	0	111.5	L363 Y367 V383 T384 G385 D386 E388 K393 I394	L363-D390 HydrophobicContact CD1-CB 3.89Å; L363-D390 HydrophobicContact CD2-CB 4.38Å; Y367-D390 PolarHBondContact OH-OD2 3.23Å; V383-D390 WeakPolarHBondContact CB-OD2 3.2Å; V383-D390 HydrophobicContact CG1-CB 4.36Å; T384-D390 WeakPolarHBondContact CB-OD1 3.27Å; T384-D390 WeakPolarHBondContact CG2-OD1 3.27Å; T384-D390 VanDerWaalsContact N-CG 3.33Å; T384-D390 PolarHBondContact N-OD1 3.08Å; T384-D390 PolarHBondContact N-OD2 2.9Å; T384-D390 PolarHBondContact OG1-OD1 3.04Å; T384-D390 PolarHBondContact OG1-OD2 2.83Å; G385-D390 PolarHBondContact N-OD2 2.83Å; D386-D390 WeakPolarHBondContact O-CB 3.35Å; D386-D390 PolarHBondContact O-N 3.14Å; E388-D390 VanDerWaalsContact C-N 3.35Å; E388-D390 PolarHBondContact O-N 2.87Å; D390-K393 PolarHBondContact O-N 2.86Å; D390-I394 WeakPolarHBondContact O-CD1 3.33Å; D390-I394 VanDerWaalsContact O-CG1 3.28Å; D390-I394 WeakPolarHBondContact O-CG1 3.46Å; D390-I394 PolarHBondContact O-N 2.85Å
391	L	98.4	Very high	95.7	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-47.6	176.6	-179	59	0	0	0	111.5	C359 E360 L363 R387 E388 K393 I394 I395	C359-L391 HydrophobicContact CB-CD1 3.74Å; E360-L391 HydrophobicContact CG-CD1 3.92Å; E360-L391 HydrophobicContact CG-CD2 3.82Å; L363-L391 HydrophobicContact CD2-CB 3.77Å; L363-L391 HydrophobicContact CD2-CD1 4.43Å; R387-L391 VanDerWaalsContact O-CB 3.26Å; R387-L391 WeakPolarHBondContact O-CB 3.38Å; R387-L391 PolarHBondContact O-N 3.12Å; E388-L391 PolarHBondContact O-N 3.4Å; L391-K393 VanDerWaalsContact C-N 3.3Å; L391-K393 PolarHBondContact O-N 2.81Å; L391-I394 PolarHBondContact O-N 3.34Å; L391-I395 HydrophobicContact CD1-CD1 4.05Å; L391-I395 HydrophobicContact CD1-CG1 4.34Å; L391-I395 HydrophobicContact CG-CD1 3.99Å; L391-I395 WeakPolarHBondContact O-CG1 3.25Å; L391-I395 PolarHBondContact O-N 2.96Å
392	N	98	Very high	96.5	Very high	89 Å²	89	46.4 Å²	46.4	48%	0.476	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-41.3	178.3	-71.9	-26.4	0	0	0	111.4	E388 K389 I395 E396	E388-N392 WeakPolarHBondContact O-CB 3.46Å; E388-N392 VanDerWaalsContact O-CG 3.31Å; E388-N392 PolarHBondContact O-N 3.35Å; E388-N392 PolarHBondContact O-ND2 2.9Å; K389-N392 PolarHBondContact O-N 2.74Å; N392-I395 PolarHBondContact O-N 3.08Å; N392-E396 WeakPolarHBondContact O-CB 3.48Å; N392-E396 PolarHBondContact O-N 3.48Å
393	K	97.4	Very high	97	Very high	66 Å²	66	46.3 Å²	46.3	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-45	176	-176.8	174.6	178.4	-178.9	0	112.1	H264 K389 D390 L391 E396 E397	H264-K393 WeakPolarHBondContact O-CE 3.3Å; H264-K393 PolarHBondContact O-NZ 3.07Å; K389-K393 WeakPolarHBondContact O-CB 3.31Å; K389-K393 PolarHBondContact O-N 2.91Å; D390-K393 PolarHBondContact O-N 2.86Å; L391-K393 VanDerWaalsContact C-N 3.3Å; L391-K393 PolarHBondContact O-N 2.81Å; K393-E396 PolarHBondContact O-N 2.77Å; K393-E397 WeakPolarHBondContact CE-OE1 3.42Å; K393-E397 HydrophobicContact CG-CG 4.48Å; K393-E397 WeakPolarHBondContact O-CB 3.45Å; K393-E397 WeakPolarHBondContact O-CG 3.43Å; K393-E397 PolarHBondContact O-N 3.35Å
394	I	98.2	Very high	97.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-41.9	179.2	-70.3	162.2	0	0	0	111	L323 C359 Y362 L363 D390 L391 S398	L323-I394 HydrophobicContact CD1-CG2 3.78Å; C359-I394 HydrophobicContact CB-CG2 3.86Å; Y362-I394 HydrophobicContact CD1-CD1 3.94Å; Y362-I394 HydrophobicContact CD1-CG2 4.34Å; Y362-I394 HydrophobicContact CE1-CD1 4.04Å; L363-I394 HydrophobicContact CB-CD1 4.33Å; L363-I394 HydrophobicContact CD1-CD1 3.68Å; D390-I394 WeakPolarHBondContact O-CD1 3.33Å; D390-I394 VanDerWaalsContact O-CG1 3.28Å; D390-I394 WeakPolarHBondContact O-CG1 3.46Å; D390-I394 PolarHBondContact O-N 2.85Å; L391-I394 PolarHBondContact O-N 3.34Å; I394-S398 VanDerWaalsContact O-CB 3.31Å; I394-S398 WeakPolarHBondContact O-CB 3.34Å; I394-S398 PolarHBondContact O-N 3.15Å
395	I	98.4	Very high	97.5	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.195	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-46.1	175.7	-68.6	169.4	0	0	0	110.3	K356 C359 L391 N392 S398 I399	K356-I395 HydrophobicContact CB-CD1 4.43Å; K356-I395 HydrophobicContact CG-CD1 4.23Å; C359-I395 HydrophobicContact CB-CG1 3.8Å; L391-I395 HydrophobicContact CD1-CD1 4.05Å; L391-I395 HydrophobicContact CD1-CG1 4.34Å; L391-I395 HydrophobicContact CG-CD1 3.99Å; L391-I395 WeakPolarHBondContact O-CG1 3.25Å; L391-I395 PolarHBondContact O-N 2.96Å; N392-I395 PolarHBondContact O-N 3.08Å; I395-S398 PolarHBondContact O-N 2.7Å; I395-S398 PolarHBondContact O-OG 3.16Å; I395-I399 HydrophobicContact CG2-CD1 4.19Å; I395-I399 WeakPolarHBondContact O-CG1 3.4Å; I395-I399 PolarHBondContact O-N 2.58Å
396	E	97.9	Very high	97.9	Very high	95 Å²	95	40.3 Å²	40.3	44%	0.444	19%	0.19	S	C	.	.	H	α-helix	trans	-60.8	-49.9	178	-179.3	174.9	-120.6	0	0	112	N392 K393 S398 I399 L400	N392-E396 WeakPolarHBondContact O-CB 3.48Å; N392-E396 PolarHBondContact O-N 3.48Å; K393-E396 PolarHBondContact O-N 2.77Å; E396-S398 VanDerWaalsContact C-N 3.29Å; E396-S398 PolarHBondContact O-N 2.64Å; E396-I399 PolarHBondContact O-N 2.94Å; E396-I399 VanDerWaalsContact O-N 3.08Å; E396-L400 HydrophobicContact CG-CD1 3.64Å; E396-L400 HydrophobicContact CG-CG 4.15Å; E396-L400 WeakPolarHBondContact O-CG 3.31Å; E396-L400 PolarHBondContact O-N 2.89Å
397	E	97.9	Very high	98	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-55.4	-45	175.8	-76.5	172.4	-170	0	0	111.7	P266 R319 K393 I399 L400 F401	P266-E397 WeakPolarHBondContact CD-OE1 3.35Å; R319-E397 IonicContact CZ-OE1 3.49Å; R319-E397 IonicContact CZ-OE2 2.78Å; R319-E397 IonicContact NE-OE1 3.93Å; R319-E397 IonicContact NE-OE2 3.4Å; R319-E397 PolarHBondContact NE-OE2 3.02Å; R319-E397 IonicContact NH2-OE1 3.87Å; R319-E397 PolarHBondContact NH2-OE1 3.07Å; R319-E397 IonicContact NH2-OE2 2.98Å; R319-E397 PolarHBondContact NH2-OE2 3.36Å; K393-E397 WeakPolarHBondContact CE-OE1 3.42Å; K393-E397 HydrophobicContact CG-CG 4.48Å; K393-E397 WeakPolarHBondContact O-CB 3.45Å; K393-E397 WeakPolarHBondContact O-CG 3.43Å; K393-E397 PolarHBondContact O-N 3.35Å; E397-I399 PolarHBondContact O-N 3.08Å; E397-I399 VanDerWaalsContact O-N 3.13Å; E397-L400 PolarHBondContact O-N 2.79Å; E397-F401 HydrophobicContact CB-CD2 4.5Å; E397-F401 WeakPolarHBondContact O-CB 3.25Å; E397-F401 VanDerWaalsContact O-CD2 3.31Å; E397-F401 WeakPolarHBondContact O-CD2 3.36Å; E397-F401 PolarHBondContact O-N 2.76Å
398	S	97.9	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-23.2	-179.1	80.7	0	0	0	0	113.8	G324 R355 I394 I395 E396 M402	G324-S398 WeakPolarHBondContact CA-O 3.38Å; R355-S398 VanDerWaalsContact CD-OG 3.31Å; R355-S398 WeakPolarHBondContact CD-OG 3.43Å; I394-S398 VanDerWaalsContact O-CB 3.31Å; I394-S398 WeakPolarHBondContact O-CB 3.34Å; I394-S398 PolarHBondContact O-N 3.15Å; I395-S398 PolarHBondContact O-N 2.7Å; I395-S398 PolarHBondContact O-OG 3.16Å; E396-S398 VanDerWaalsContact C-N 3.29Å; E396-S398 PolarHBondContact O-N 2.64Å; S398-M402 VanDerWaalsContact O-CG 3.31Å; S398-M402 WeakPolarHBondContact O-CG 3.42Å
399	I	97.9	Very high	98.1	Very high	49 Å²	49	25.9 Å²	25.9	25%	0.251	12%	0.124	S	C	.	.	H	α-helix	trans	-88.4	-48.7	175.4	-67.6	163	0	0	0	110.5	I395 E396 E397 F401 M402	I395-I399 HydrophobicContact CG2-CD1 4.19Å; I395-I399 WeakPolarHBondContact O-CG1 3.4Å; I395-I399 PolarHBondContact O-N 2.58Å; E396-I399 PolarHBondContact O-N 2.94Å; E396-I399 VanDerWaalsContact O-N 3.08Å; E397-I399 PolarHBondContact O-N 3.08Å; E397-I399 VanDerWaalsContact O-N 3.13Å; I399-F401 PolarHBondContact O-N 3.05Å; I399-M402 PolarHBondContact O-N 3.34Å
400	L	98.1	Very high	98.2	Very high	13 Å²	13	19.8 Å²	19.8	7%	0.068	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-32.1	-175.5	-67.9	175.8	0	0	0	111.8	F259 E396 E397 P403 N443 L444 Y447	F259-L400 HydrophobicContact CE2-CB 4.25Å; F259-L400 HydrophobicContact CE2-CD1 4.17Å; F259-L400 HydrophobicContact CZ-CB 3.72Å; F259-L400 HydrophobicContact CZ-CD1 4.24Å; E396-L400 HydrophobicContact CG-CD1 3.64Å; E396-L400 HydrophobicContact CG-CG 4.15Å; E396-L400 WeakPolarHBondContact O-CG 3.31Å; E396-L400 PolarHBondContact O-N 2.89Å; E397-L400 PolarHBondContact O-N 2.79Å; L400-P403 VanDerWaalsContact O-CD 3.25Å; L400-P403 WeakPolarHBondContact O-CD 3.48Å; L400-P403 VanDerWaalsContact O-CG 3.22Å; L400-P403 WeakPolarHBondContact O-CG 3.5Å; L400-N443 HydrophobicContact CD2-CB 4.12Å; L400-N443 WeakPolarHBondContact CD2-O 3.36Å; L400-L444 HydrophobicContact CB-CD2 4.09Å; L400-L444 HydrophobicContact CD2-CD2 4.24Å; L400-L444 WeakPolarHBondContact O-CD2 3.48Å; L400-Y447 HydrophobicContact CD1-CD1 4.38Å; L400-Y447 HydrophobicContact CD1-CD2 3.41Å; L400-Y447 VanDerWaalsContact CD1-CD2 3.41Å; L400-Y447 HydrophobicContact CD1-CE2 3.8Å; L400-Y447 HydrophobicContact CD1-CG 3.74Å; L400-Y447 HydrophobicContact CD2-CD2 4.49Å; L400-Y447 HydrophobicContact CD2-CG 4.29Å
401	F	98.6	Very high	98.2	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-87.5	-4.8	-178.2	-80.2	-105.1	0	0	0	114.8	F259 L260 Y318 G320 F321 E397 I399 V404 S405	F259-F401 HydrophobicContact CE1-CD2 4.04Å; F259-F401 HydrophobicContact CE1-CE1 4.33Å; F259-F401 AromaticContact CE1-CE2 3.75Å; F259-F401 HydrophobicContact CE1-CE2 3.75Å; F259-F401 HydrophobicContact CE1-CG 4.46Å; F259-F401 AromaticContact CE1-CZ 3.92Å; F259-F401 HydrophobicContact CE1-CZ 3.92Å; F259-F401 HydrophobicContact CZ-CD2 4.11Å; F259-F401 AromaticContact CZ-CE2 3.79Å; F259-F401 HydrophobicContact CZ-CE2 3.79Å; F259-F401 HydrophobicContact CZ-CZ 4.34Å; L260-F401 HydrophobicContact CD2-CD1 4.24Å; L260-F401 HydrophobicContact CD2-CE1 3.37Å; L260-F401 HydrophobicContact CD2-CZ 3.86Å; Y318-F401 VanDerWaalsContact CB-CE1 3.5Å; Y318-F401 HydrophobicContact CD1-CZ 4.47Å; Y318-F401 HydrophobicContact CD2-CE1 4.33Å; Y318-F401 AromaticContact CG-CE1 3.94Å; Y318-F401 HydrophobicContact CG-CE1 3.94Å; Y318-F401 HydrophobicContact CG-CZ 4.16Å; G320-F401 VanDerWaalsContact C-CD1 3.41Å; G320-F401 WeakPolarHBondContact O-CB 3.49Å; G320-F401 WeakPolarHBondContact O-CG 3.47Å; F321-F401 HydrophobicContact CB-CD1 3.95Å; F321-F401 HydrophobicContact CB-CE1 4.43Å; E397-F401 HydrophobicContact CB-CD2 4.5Å; E397-F401 WeakPolarHBondContact O-CB 3.25Å; E397-F401 VanDerWaalsContact O-CD2 3.31Å; E397-F401 WeakPolarHBondContact O-CD2 3.36Å; E397-F401 PolarHBondContact O-N 2.76Å; I399-F401 PolarHBondContact O-N 3.05Å; F401-V404 HydrophobicContact CD1-CB 4.19Å; F401-V404 HydrophobicContact CD1-CG1 4.31Å; F401-V404 HydrophobicContact CD1-CG2 4.16Å; F401-V404 HydrophobicContact CG-CG2 4.42Å; F401-V404 WeakPolarHBondContact O-CB 3.16Å; F401-V404 PolarHBondContact O-N 3.35Å; F401-V404 VanDerWaalsContact O-N 3.13Å; F401-S405 PolarHBondContact O-N 2.93Å
402	M	98.3	Very high	98.1	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-56.7	-49.3	171	-62.6	-175.5	75.1	0	0	113.1	F349 S398 I399 V404 S405 N406	F349-M402 HydrophobicContact CB-CE 3.74Å; F349-M402 HydrophobicContact CD1-CE 3.98Å; F349-M402 HydrophobicContact CG-CE 3.95Å; S398-M402 VanDerWaalsContact O-CG 3.31Å; S398-M402 WeakPolarHBondContact O-CG 3.42Å; I399-M402 PolarHBondContact O-N 3.34Å; M402-V404 VanDerWaalsContact C-N 3.26Å; M402-V404 PolarHBondContact O-N 3.15Å; M402-S405 PolarHBondContact O-N 3.05Å; M402-N406 PolarHBondContact O-N 2.92Å; M402-N406 PolarHBondContact O-ND2 2.79Å
403	P	98	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-32.8	173.4	20.9	-31.8	0	0	0	112.7	L400 N406 I407 Y437 Q440 L444	L400-P403 VanDerWaalsContact O-CD 3.25Å; L400-P403 WeakPolarHBondContact O-CD 3.48Å; L400-P403 VanDerWaalsContact O-CG 3.22Å; L400-P403 WeakPolarHBondContact O-CG 3.5Å; P403-N406 PolarHBondContact O-N 2.94Å; P403-I407 PolarHBondContact O-N 3.31Å; P403-Y437 HydrophobicContact CB-CD2 3.79Å; P403-Y437 HydrophobicContact CB-CE2 4.3Å; P403-Y437 VanDerWaalsContact O-CD2 3.31Å; P403-Y437 WeakPolarHBondContact O-CD2 3.44Å; P403-Q440 HydrophobicContact CB-CB 3.97Å; P403-Q440 HydrophobicContact CG-CB 4.09Å; P403-L444 HydrophobicContact CB-CD1 4.19Å; P403-L444 HydrophobicContact CG-CD1 3.8Å; P403-L444 HydrophobicContact CG-CD2 4.12Å; P403-L444 HydrophobicContact CG-CG 3.76Å
404	V	98.6	Very high	98.1	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-45.8	176.1	-175.4	0	0	0	0	110.7	T202 V256 F259 L260 F321 F401 M402 N406 I407 F408 L444	T202-V404 HydrophobicContact CG2-CG1 4.45Å; V256-V404 HydrophobicContact CG1-CB 4.45Å; V256-V404 HydrophobicContact CG1-CG1 3.9Å; V256-V404 HydrophobicContact CG1-CG2 4.08Å; F259-V404 HydrophobicContact CD1-CG2 3.97Å; F259-V404 HydrophobicContact CE1-CG2 3.93Å; L260-V404 HydrophobicContact CD2-CG1 4.24Å; F321-V404 HydrophobicContact CD2-CG1 3.85Å; F321-V404 HydrophobicContact CE2-CG1 4.24Å; F401-V404 HydrophobicContact CD1-CB 4.19Å; F401-V404 HydrophobicContact CD1-CG1 4.31Å; F401-V404 HydrophobicContact CD1-CG2 4.16Å; F401-V404 HydrophobicContact CG-CG2 4.42Å; F401-V404 WeakPolarHBondContact O-CB 3.16Å; F401-V404 PolarHBondContact O-N 3.35Å; F401-V404 VanDerWaalsContact O-N 3.13Å; M402-V404 VanDerWaalsContact C-N 3.26Å; M402-V404 PolarHBondContact O-N 3.15Å; V404-N406 VanDerWaalsContact C-N 3.35Å; V404-I407 WeakPolarHBondContact O-CG2 3.33Å; V404-F408 WeakPolarHBondContact O-CB 3.47Å; V404-F408 PolarHBondContact O-N 2.99Å; V404-F408 VanDerWaalsContact O-N 3.08Å; V404-L444 HydrophobicContact CG2-CD1 4.48Å
405	S	98.5	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.7	-45.9	171.4	163	0	0	0	0	111	N325 F401 M402 I407 F408 W409 R433	N325-S405 PolarHBondContact OD1-OG 2.9Å; F401-S405 PolarHBondContact O-N 2.93Å; M402-S405 PolarHBondContact O-N 3.05Å; S405-I407 PolarHBondContact O-N 3.28Å; S405-F408 WeakPolarHBondContact O-CB 3.25Å; S405-F408 PolarHBondContact O-N 3.41Å; S405-W409 PolarHBondContact O-N 3.12Å; S405-R433 PolarHBondContact OG-NH2 3.43Å
406	N	98.4	Very high	97.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.4	-52.9	179.2	-79.7	-39.7	0	0	0	112.6	Y332 M402 P403 V404 F408 W409 V410 R433 Q440	Y332-N406 PolarHBondContact OH-OD1 3.03Å; Y332-N406 VanDerWaalsContact OH-OD1 3.1Å; M402-N406 PolarHBondContact O-N 2.92Å; M402-N406 PolarHBondContact O-ND2 2.79Å; P403-N406 PolarHBondContact O-N 2.94Å; V404-N406 VanDerWaalsContact C-N 3.35Å; N406-F408 VanDerWaalsContact C-N 3.31Å; N406-F408 PolarHBondContact O-N 3.04Å; N406-W409 PolarHBondContact O-N 2.74Å; N406-V410 WeakPolarHBondContact O-CG2 3.25Å; N406-V410 PolarHBondContact O-N 3.26Å; N406-R433 PolarHBondContact OD1-NE 3.28Å; N406-Q440 PolarHBondContact ND2-OE1 3.28Å
407	I	98.4	Very high	97.5	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-67.9	-30.9	-179.1	-163.3	168.6	0	0	0	112.8	E252 L253 V256 P403 V404 S405 V410 C411 Y437	E252-I407 HydrophobicContact CB-CD1 3.58Å; L253-I407 HydrophobicContact CD2-CD1 3.9Å; L253-I407 HydrophobicContact CD2-CG1 3.97Å; L253-I407 HydrophobicContact CD2-CG2 4.36Å; L253-I407 HydrophobicContact CG-CD1 4.25Å; V256-I407 HydrophobicContact CG2-CG2 4.01Å; P403-I407 PolarHBondContact O-N 3.31Å; V404-I407 WeakPolarHBondContact O-CG2 3.33Å; S405-I407 PolarHBondContact O-N 3.28Å; I407-V410 WeakPolarHBondContact O-CB 3.43Å; I407-V410 PolarHBondContact O-N 3.41Å; I407-C411 PolarHBondContact O-N 3.36Å; I407-Y437 HydrophobicContact CB-CD2 3.84Å; I407-Y437 HydrophobicContact CB-CE2 4.15Å; I407-Y437 HydrophobicContact CB-CG 4.18Å; I407-Y437 HydrophobicContact CD1-CD2 4.48Å; I407-Y437 HydrophobicContact CD1-CE1 4.14Å; I407-Y437 HydrophobicContact CD1-CE2 4.1Å; I407-Y437 HydrophobicContact CG2-CD2 4.31Å; I407-Y437 HydrophobicContact CG2-CE2 4.33Å
408	F	98.4	Very high	97.3	Very high	9 Å²	9	13.9 Å²	13.9	4%	0.039	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-51.4	173.3	175.6	-93.7	0	0	0	111.1	T202 T205 A206 W209 F321 V404 S405 N406 V410 C411 W412	T202-F408 HydrophobicContact CG2-CB 4.39Å; T202-F408 HydrophobicContact CG2-CD2 3.5Å; T202-F408 HydrophobicContact CG2-CE2 4.05Å; T202-F408 HydrophobicContact CG2-CG 4.21Å; T202-F408 WeakPolarHBondContact O-CD2 3.27Å; T202-F408 WeakPolarHBondContact O-CE2 3.33Å; T205-F408 HydrophobicContact CG2-CE2 4.13Å; T205-F408 HydrophobicContact CG2-CZ 4.29Å; A206-F408 HydrophobicContact CB-CD2 3.97Å; W209-F408 AromaticContact CH2-CE1 3.67Å; W209-F408 HydrophobicContact CH2-CE1 3.67Å; W209-F408 AromaticContact CH2-CE2 3.98Å; W209-F408 HydrophobicContact CH2-CE2 3.98Å; W209-F408 AromaticContact CH2-CZ 3.34Å; W209-F408 HydrophobicContact CH2-CZ 3.34Å; W209-F408 HydrophobicContact CZ3-CD1 4.05Å; W209-F408 HydrophobicContact CZ3-CD2 4.07Å; W209-F408 AromaticContact CZ3-CE1 3.57Å; W209-F408 HydrophobicContact CZ3-CE1 3.57Å; W209-F408 AromaticContact CZ3-CE2 3.61Å; W209-F408 HydrophobicContact CZ3-CE2 3.61Å; W209-F408 HydrophobicContact CZ3-CG 4.29Å; W209-F408 AromaticContact CZ3-CZ 3.35Å; W209-F408 HydrophobicContact CZ3-CZ 3.35Å; F321-F408 HydrophobicContact CE2-CB 3.89Å; F321-F408 HydrophobicContact CE2-CD1 4.36Å; F321-F408 HydrophobicContact CE2-CD2 4.39Å; F321-F408 AromaticContact CE2-CG 3.98Å; F321-F408 HydrophobicContact CE2-CG 3.98Å; F321-F408 HydrophobicContact CZ-CB 4.07Å; F321-F408 AromaticContact CZ-CD1 3.66Å; F321-F408 HydrophobicContact CZ-CD1 3.66Å; F321-F408 HydrophobicContact CZ-CD2 4.18Å; F321-F408 HydrophobicContact CZ-CE1 4.05Å; F321-F408 AromaticContact CZ-CG 3.72Å; F321-F408 HydrophobicContact CZ-CG 3.72Å; F321-F408 HydrophobicContact CZ-CZ 4.45Å; V404-F408 WeakPolarHBondContact O-CB 3.47Å; V404-F408 PolarHBondContact O-N 2.99Å; V404-F408 VanDerWaalsContact O-N 3.08Å; S405-F408 WeakPolarHBondContact O-CB 3.25Å; S405-F408 PolarHBondContact O-N 3.41Å; N406-F408 VanDerWaalsContact C-N 3.31Å; N406-F408 PolarHBondContact O-N 3.04Å; F408-V410 VanDerWaalsContact C-N 3.31Å; F408-V410 PolarHBondContact O-N 2.83Å; F408-C411 PolarHBondContact O-N 3.23Å; F408-W412 PolarHBondContact O-N 3.4Å
409	W	98.3	Very high	96.7	Very high	11 Å²	11	19 Å²	19	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-73.1	-20.6	179.2	-68.3	112.7	0	0	0	113.4	D273 Y313 N325 S405 N406 W412 S413	D273-W409 HydrophobicContact CB-CH2 4.47Å; D273-W409 HydrophobicContact CB-CZ2 4.3Å; Y313-W409 HydrophobicContact CD2-CH2 4.3Å; Y313-W409 HydrophobicContact CE2-CH2 4.12Å; N325-W409 PolarHBondContact OD1-NE1 2.92Å; S405-W409 PolarHBondContact O-N 3.12Å; N406-W409 PolarHBondContact O-N 2.74Å; W409-W412 HydrophobicContact CE3-CB 3.82Å; W409-W412 AromaticContact CE3-CD2 3.76Å; W409-W412 HydrophobicContact CE3-CD2 3.76Å; W409-W412 AromaticContact CE3-CE3 3.98Å; W409-W412 HydrophobicContact CE3-CE3 3.98Å; W409-W412 AromaticContact CE3-CG 3.7Å; W409-W412 HydrophobicContact CE3-CG 3.7Å; W409-W412 HydrophobicContact CZ3-CB 4.32Å; W409-W412 AromaticContact CZ3-CD1 3.94Å; W409-W412 AromaticContact CZ3-CD2 3.94Å; W409-W412 HydrophobicContact CZ3-CD2 3.94Å; W409-W412 HydrophobicContact CZ3-CE3 4.5Å; W409-W412 AromaticContact CZ3-CG 3.84Å; W409-W412 HydrophobicContact CZ3-CG 3.84Å; W409-S413 VanDerWaalsContact O-CB 3.23Å; W409-S413 WeakPolarHBondContact O-CB 3.29Å; W409-S413 PolarHBondContact O-N 3.01Å
410	V	98.6	Very high	95.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-60	-50.7	167	170	0	0	0	0	110.4	L249 N406 I407 F408 W412 S413 L414 G430 R433 L434	L249-V410 HydrophobicContact CD2-CG1 4.37Å; N406-V410 WeakPolarHBondContact O-CG2 3.25Å; N406-V410 PolarHBondContact O-N 3.26Å; I407-V410 WeakPolarHBondContact O-CB 3.43Å; I407-V410 PolarHBondContact O-N 3.41Å; F408-V410 VanDerWaalsContact C-N 3.31Å; F408-V410 PolarHBondContact O-N 2.83Å; V410-W412 VanDerWaalsContact C-N 3.31Å; V410-W412 PolarHBondContact O-N 3.12Å; V410-S413 PolarHBondContact O-N 3.38Å; V410-S413 VanDerWaalsContact O-N 3.15Å; V410-L414 HydrophobicContact CG1-CD1 3.95Å; V410-L414 HydrophobicContact CG1-CG 4.29Å; V410-L414 VanDerWaalsContact O-CG 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.08Å; V410-L414 PolarHBondContact O-N 2.97Å; V410-G430 WeakPolarHBondContact CG2-O 3.35Å; V410-R433 HydrophobicContact CG2-CB 3.69Å; V410-L434 HydrophobicContact CG1-CB 4.27Å; V410-L434 HydrophobicContact CG1-CD1 4.45Å; V410-L434 HydrophobicContact CG2-CB 3.62Å; V410-L434 HydrophobicContact CG2-CD1 4.33Å
411	C	98.3	Very high	94.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-42.1	-179.7	-65.6	0	0	0	0	111.8	A206 W209 I407 F408 I415	A206-C411 HydrophobicContact CB-CB 4.19Å; A206-C411 WeakPolarHBondContact O-CB 3.38Å; W209-C411 HydrophobicContact CB-CB 4.17Å; W209-C411 HydrophobicContact CE3-CB 4.33Å; I407-C411 PolarHBondContact O-N 3.36Å; F408-C411 PolarHBondContact O-N 3.23Å; C411-I415 PolarHBondContact O-N 3.5Å
412	W	96.8	Very high	93.7	Very high	23 Å²	23	27 Å²	27	9%	0.087	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-45.7	173.1	177.1	89.5	0	0	0	112.2	M95 W209 Y313 F408 W409 V410 L414 I415 N416 Y426 Y429	M95-W412 HydrophobicContact CE-CH2 3.76Å; M95-W412 HydrophobicContact CE-CZ2 3.42Å; M95-W412 VanDerWaalsContact CE-CZ2 3.42Å; M95-W412 HydrophobicContact SD-CZ2 4.19Å; W209-W412 HydrophobicContact CD2-CB 4.14Å; W209-W412 HydrophobicContact CE3-CB 3.62Å; W209-W412 HydrophobicContact CH2-CB 4.08Å; W209-W412 AromaticContact CH2-CD1 3.83Å; W209-W412 HydrophobicContact CH2-CG 4.31Å; W209-W412 AromaticContact CZ2-CD1 3.75Å; W209-W412 HydrophobicContact CZ3-CB 3.6Å; W209-W412 HydrophobicContact CZ3-CG 4.31Å; Y313-W412 PolarHBondContact OH-NE1 3.4Å; F408-W412 PolarHBondContact O-N 3.4Å; W409-W412 HydrophobicContact CE3-CB 3.82Å; W409-W412 AromaticContact CE3-CD2 3.76Å; W409-W412 HydrophobicContact CE3-CD2 3.76Å; W409-W412 AromaticContact CE3-CE3 3.98Å; W409-W412 HydrophobicContact CE3-CE3 3.98Å; W409-W412 AromaticContact CE3-CG 3.7Å; W409-W412 HydrophobicContact CE3-CG 3.7Å; W409-W412 HydrophobicContact CZ3-CB 4.32Å; W409-W412 AromaticContact CZ3-CD1 3.94Å; W409-W412 AromaticContact CZ3-CD2 3.94Å; W409-W412 HydrophobicContact CZ3-CD2 3.94Å; W409-W412 HydrophobicContact CZ3-CE3 4.5Å; W409-W412 AromaticContact CZ3-CG 3.84Å; W409-W412 HydrophobicContact CZ3-CG 3.84Å; V410-W412 VanDerWaalsContact C-N 3.31Å; V410-W412 PolarHBondContact O-N 3.12Å; W412-L414 PolarHBondContact O-N 3.29Å; W412-I415 WeakPolarHBondContact O-CG2 3.18Å; W412-I415 PolarHBondContact O-N 3.01Å; W412-N416 PolarHBondContact NE1-ND2 3.18Å; W412-N416 VanDerWaalsContact NE1-ND2 3.19Å; W412-N416 PolarHBondContact O-N 3.45Å; W412-N416 VanDerWaalsContact O-N 3.08Å; W412-N416 PolarHBondContact O-ND2 3.33Å; W412-Y426 AromaticContact CH2-CD1 3.98Å; W412-Y426 HydrophobicContact CH2-CD1 3.98Å; W412-Y426 AromaticContact CH2-CE1 3.42Å; W412-Y426 HydrophobicContact CH2-CE1 3.42Å; W412-Y426 VanDerWaalsContact CH2-CE1 3.42Å; W412-Y426 HydrophobicContact CZ2-CE1 4.08Å; W412-Y426 AromaticContact CZ3-CD1 3.79Å; W412-Y426 HydrophobicContact CZ3-CD1 3.79Å; W412-Y426 AromaticContact CZ3-CE1 3.75Å; W412-Y426 HydrophobicContact CZ3-CE1 3.75Å; W412-Y429 HydrophobicContact CE3-CE1 4.48Å; W412-Y429 HydrophobicContact CZ3-CD1 4.36Å; W412-Y429 HydrophobicContact CZ3-CE1 4.13Å
413	S	97.2	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.4	-39.3	-176.5	-157.8	0	0	0	0	112.1	W409 V410 I415 N416 A417 Y426 Y429 G430	W409-S413 VanDerWaalsContact O-CB 3.23Å; W409-S413 WeakPolarHBondContact O-CB 3.29Å; W409-S413 PolarHBondContact O-N 3.01Å; V410-S413 PolarHBondContact O-N 3.38Å; V410-S413 VanDerWaalsContact O-N 3.15Å; S413-I415 PolarHBondContact O-N 2.9Å; S413-N416 PolarHBondContact O-N 3.07Å; S413-A417 WeakPolarHBondContact O-CB 3.34Å; S413-A417 PolarHBondContact O-N 3.38Å; S413-Y426 WeakPolarHBondContact O-CB 3.03Å; S413-Y426 WeakPolarHBondContact OG-CA 3.46Å; S413-Y426 PolarHBondContact OG-O 3.11Å; S413-Y429 WeakPolarHBondContact OG-CD1 3.34Å; S413-G430 PolarHBondContact OG-N 3.3Å
414	L	97.6	Very high	92.3	Very high	14 Å²	14	32 Å²	32	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-43.3	179	-71	174.7	0	0	0	112.2	F213 I223 L249 V410 W412	F213-L414 HydrophobicContact CB-CB 4.41Å; F213-L414 HydrophobicContact CD1-CB 4.07Å; F213-L414 HydrophobicContact CD1-CD1 4.15Å; F213-L414 HydrophobicContact CD2-CB 3.78Å; F213-L414 WeakPolarHBondContact CD2-O 3.39Å; F213-L414 HydrophobicContact CE1-CB 4.29Å; F213-L414 HydrophobicContact CE1-CD1 4.11Å; F213-L414 HydrophobicContact CE1-CD2 4.39Å; F213-L414 HydrophobicContact CE2-CB 4.01Å; F213-L414 HydrophobicContact CE2-CD2 4.43Å; F213-L414 WeakPolarHBondContact CE2-O 3.28Å; F213-L414 HydrophobicContact CG-CB 3.81Å; F213-L414 HydrophobicContact CZ-CB 4.26Å; F213-L414 HydrophobicContact CZ-CD2 4.11Å; I223-L414 HydrophobicContact CD1-CD1 3.89Å; I223-L414 HydrophobicContact CD1-CD2 3.7Å; I223-L414 HydrophobicContact CD1-CG 4.48Å; L249-L414 HydrophobicContact CD1-CD1 3.66Å; V410-L414 HydrophobicContact CG1-CD1 3.95Å; V410-L414 HydrophobicContact CG1-CG 4.29Å; V410-L414 VanDerWaalsContact O-CG 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.08Å; V410-L414 PolarHBondContact O-N 2.97Å; W412-L414 PolarHBondContact O-N 3.29Å
415	I	95.4	Very high	92.1	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-71.9	-37.7	177.3	-171.6	56.5	0	0	0	111.9	W209 R212 F213 T216 C411 W412 S413 A417 E418 E419	W209-I415 HydrophobicContact CB-CG2 3.92Å; W209-I415 HydrophobicContact CG-CG2 4.1Å; R212-I415 HydrophobicContact CB-CD1 3.75Å; R212-I415 HydrophobicContact CB-CG1 4.05Å; F213-I415 HydrophobicContact CB-CB 4.4Å; F213-I415 HydrophobicContact CB-CD1 4.44Å; T216-I415 HydrophobicContact CG2-CD1 4.36Å; C411-I415 PolarHBondContact O-N 3.5Å; W412-I415 WeakPolarHBondContact O-CG2 3.18Å; W412-I415 PolarHBondContact O-N 3.01Å; S413-I415 PolarHBondContact O-N 2.9Å; I415-A417 VanDerWaalsContact C-N 3.29Å; I415-A417 PolarHBondContact O-N 3.46Å; I415-E418 PolarHBondContact O-N 3.27Å; I415-E418 VanDerWaalsContact O-N 3.12Å; I415-E419 HydrophobicContact CD1-CG 3.98Å; I415-E419 WeakPolarHBondContact CD1-OE1 3.36Å; I415-E419 HydrophobicContact CG1-CG 4.31Å; I415-E419 PolarHBondContact O-N 3.24Å; I415-E419 VanDerWaalsContact O-N 3.13Å
416	N	91.8	Very high	91.9	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-68.8	-26.3	177.4	-79.9	-80.6	0	0	0	113.1	W412 S413 E418 E419 S420 Y426	W412-N416 PolarHBondContact NE1-ND2 3.18Å; W412-N416 VanDerWaalsContact NE1-ND2 3.19Å; W412-N416 PolarHBondContact O-N 3.45Å; W412-N416 VanDerWaalsContact O-N 3.08Å; W412-N416 PolarHBondContact O-ND2 3.33Å; S413-N416 PolarHBondContact O-N 3.07Å; N416-E418 PolarHBondContact O-N 2.77Å; N416-E419 PolarHBondContact O-N 2.69Å; N416-S420 WeakPolarHBondContact O-CB 3.11Å; N416-S420 PolarHBondContact O-N 3.36Å; N416-Y426 HydrophobicContact CB-CD1 3.4Å; N416-Y426 VanDerWaalsContact CB-CD1 3.4Å; N416-Y426 HydrophobicContact CB-CD2 4.22Å; N416-Y426 HydrophobicContact CB-CE1 3.51Å; N416-Y426 HydrophobicContact CB-CE2 4.33Å; N416-Y426 HydrophobicContact CB-CG 3.78Å
417	A	94.1	Very high	91.8	Very high	43 Å²	43	36.3 Å²	36.3	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-26	171.8	0	0	0	0	0	113.1	S413 I415	S413-A417 WeakPolarHBondContact O-CB 3.34Å; S413-A417 PolarHBondContact O-N 3.38Å; I415-A417 VanDerWaalsContact C-N 3.29Å; I415-A417 PolarHBondContact O-N 3.46Å
418	E	93.3	Very high	91.8	Very high	90 Å²	90	36.2 Å²	36.2	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-97.6	-28.5	-179.1	-58.2	-65	119.3	0	0	112.8	F213 T216 A218 I415 N416	F213-E418 HydrophobicContact CD2-CG 4.09Å; F213-E418 HydrophobicContact CE2-CG 4.07Å; T216-E418 HydrophobicContact CG2-CB 4.13Å; T216-E418 HydrophobicContact CG2-CG 4.03Å; A218-E418 VanDerWaalsContact CB-CD 3.43Å; A218-E418 HydrophobicContact CB-CG 4.31Å; A218-E418 VanDerWaalsContact CB-OE1 3.24Å; A218-E418 WeakPolarHBondContact CB-OE1 3.42Å; A218-E418 WeakPolarHBondContact CB-OE2 3.46Å; I415-E418 PolarHBondContact O-N 3.27Å; I415-E418 VanDerWaalsContact O-N 3.12Å; N416-E418 PolarHBondContact O-N 2.77Å
419	E	86.4	Confident	91.8	Very high	107 Å²	107	36 Å²	36	50%	0.5	21%	0.213	S	C	.	.	H	α-helix	trans	-114.3	-25.2	-169	-64.5	-177.7	163.2	0	0	114.7	R212 I415 N416	R212-E419 IonicContact CZ-OE1 2.89Å; R212-E419 IonicContact CZ-OE2 2.77Å; R212-E419 IonicContact NE-OE1 3.41Å; R212-E419 IonicContact NH2-OE1 3.6Å; R212-E419 PolarHBondContact NH2-OE1 3.25Å; R212-E419 IonicContact NH2-OE2 3.77Å; R212-E419 PolarHBondContact NH2-OE2 3.37Å; I415-E419 HydrophobicContact CD1-CG 3.98Å; I415-E419 WeakPolarHBondContact CD1-OE1 3.36Å; I415-E419 HydrophobicContact CG1-CG 4.31Å; I415-E419 PolarHBondContact O-N 3.24Å; I415-E419 VanDerWaalsContact O-N 3.13Å; N416-E419 PolarHBondContact O-N 2.69Å
420	S	79.8	Confident	91.8	Very high	33 Å²	33	35.6 Å²	35.6	23%	0.231	21%	0.212	C	C	.	.			trans	-77.9	139.8	-173.7	-174.5	0	0	0	0	111.7	N416 I422 Y426	N416-S420 WeakPolarHBondContact O-CB 3.11Å; N416-S420 PolarHBondContact O-N 3.36Å; S420-I422 PolarHBondContact OG-N 3.26Å; S420-Y426 VanDerWaalsContact OG-CE2 3.32Å; S420-Y426 WeakPolarHBondContact OG-CE2 3.47Å; S420-Y426 PolarHBondContact OG-OH 2.95Å
421	S	73.8	Confident	91.7	Very high	125 Å²	125	36.9 Å²	36.9	87%	0.874	22%	0.216	S	C	*	.			trans	-94.6	0.9	173.5	56	0	0	0	0	113.2
422	I	76.9	Confident	91.7	Very high	72 Å²	72	36.9 Å²	36.9	37%	0.369	22%	0.216	S	C	.	.	S	Bend	trans	-79.4	139.7	-177.2	-67.3	166.5	0	0	0	110	M95 S420 F424	M95-I422 HydrophobicContact CB-CD1 3.42Å; M95-I422 VanDerWaalsContact CB-CD1 3.42Å; M95-I422 HydrophobicContact CG-CD1 3.12Å; M95-I422 HydrophobicContact SD-CD1 3.36Å; M95-I422 WeakPolarHBondContact SD-CD1 3.38Å; S420-I422 PolarHBondContact OG-N 3.26Å; I422-F424 HydrophobicContact CG2-CB 4.15Å; I422-F424 PolarHBondContact O-N 2.94Å
423	A	80.3	Confident	91.7	Very high	72 Å²	72	35.8 Å²	35.8	60%	0.595	21%	0.212	S	C	*	.	S	Bend	trans	-71.5	76.9	174.3	0	0	0	0	0	110.6	Y341	Y341-A423 WeakPolarHBondContact CD2-O 3.37Å; Y341-A423 HydrophobicContact CE2-CB 4.39Å
424	F	87.6	Confident	91.7	Very high	38 Å²	38	36 Å²	36	17%	0.167	21%	0.213	C	C	.	.	S	Bend	trans	-144.6	133.7	176.4	-176.1	-93.2	0	0	0	108.6	Y334 Y342 I422 Y426 Y429	Y334-F424 HydrophobicContact CD1-CE2 4.22Å; Y342-F424 HydrophobicContact CD1-CE1 4.42Å; Y342-F424 AromaticContact CD1-CE2 3.81Å; Y342-F424 HydrophobicContact CD1-CE2 3.81Å; Y342-F424 AromaticContact CD1-CZ 3.64Å; Y342-F424 HydrophobicContact CD1-CZ 3.64Å; Y342-F424 HydrophobicContact CE1-CZ 4.37Å; Y342-F424 HydrophobicContact CG-CE2 4.25Å; Y342-F424 HydrophobicContact CG-CZ 4.18Å; I422-F424 HydrophobicContact CG2-CB 4.15Å; I422-F424 PolarHBondContact O-N 2.94Å; F424-Y426 VanDerWaalsContact C-N 3.29Å; F424-Y426 HydrophobicContact CB-CD2 4.3Å; F424-Y426 HydrophobicContact CB-CE2 3.86Å; F424-Y426 AromaticContact CD1-CD1 3.53Å; F424-Y426 HydrophobicContact CD1-CD1 3.53Å; F424-Y426 HydrophobicContact CD1-CD2 4.02Å; F424-Y426 AromaticContact CD1-CE1 3.68Å; F424-Y426 HydrophobicContact CD1-CE1 3.68Å; F424-Y426 HydrophobicContact CD1-CE2 4.14Å; F424-Y426 AromaticContact CD1-CG 3.72Å; F424-Y426 HydrophobicContact CD1-CG 3.72Å; F424-Y426 AromaticContact CD1-CZ 3.99Å; F424-Y426 AromaticContact CE1-CD1 3.98Å; F424-Y426 HydrophobicContact CE1-CD1 3.98Å; F424-Y426 HydrophobicContact CE1-CE1 4.31Å; F424-Y426 HydrophobicContact CE1-CG 4.39Å; F424-Y426 HydrophobicContact CG-CE1 4.43Å; F424-Y426 HydrophobicContact CG-CE2 4.48Å; F424-Y426 WeakPolarHBondContact O-CD2 3.11Å; F424-Y426 PolarHBondContact O-N 3.35Å; F424-Y429 AromaticContact CE1-CD1 3.95Å; F424-Y429 HydrophobicContact CE1-CD1 3.95Å; F424-Y429 HydrophobicContact CE1-CD2 4.23Å; F424-Y429 AromaticContact CE1-CG 3.66Å; F424-Y429 HydrophobicContact CE1-CG 3.66Å; F424-Y429 HydrophobicContact CZ-CD1 4.22Å; F424-Y429 AromaticContact CZ-CD2 3.8Å; F424-Y429 HydrophobicContact CZ-CD2 3.8Å; F424-Y429 HydrophobicContact CZ-CE2 4.34Å; F424-Y429 AromaticContact CZ-CG 3.72Å; F424-Y429 HydrophobicContact CZ-CG 3.72Å
425	D	94.3	Very high	91.6	Very high	66 Å²	66	35.3 Å²	35.3	35%	0.353	21%	0.21	S	C	.	.			trans	-82.8	77.6	179.3	-168.5	-18.1	0	0	0	110.6	P340 G427 A428 Y429	P340-D425 HydrophobicContact CB-CB 3.82Å; P340-D425 PolarHBondContact O-N 3.4Å; D425-G427 PolarHBondContact O-N 2.95Å; D425-G427 PolarHBondContact OD1-N 2.75Å; D425-A428 HydrophobicContact CB-CB 3.96Å; D425-A428 PolarHBondContact O-N 3.31Å; D425-A428 WeakPolarHBondContact OD1-CB 3.5Å; D425-A428 PolarHBondContact OD1-N 2.97Å; D425-A428 WeakPolarHBondContact OD2-CB 3.1Å; D425-Y429 WeakPolarHBondContact O-CB 3.46Å; D425-Y429 PolarHBondContact O-N 3.3Å
426	Y	95.2	Very high	91.6	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-29.2	176.3	-63.2	-81.8	0	0	0	112.6	M95 W412 S413 N416 S420 F424 G430	M95-Y426 PolarHBondContact SD-OH 3.33Å; W412-Y426 AromaticContact CH2-CD1 3.98Å; W412-Y426 HydrophobicContact CH2-CD1 3.98Å; W412-Y426 AromaticContact CH2-CE1 3.42Å; W412-Y426 HydrophobicContact CH2-CE1 3.42Å; W412-Y426 VanDerWaalsContact CH2-CE1 3.42Å; W412-Y426 HydrophobicContact CZ2-CE1 4.08Å; W412-Y426 AromaticContact CZ3-CD1 3.79Å; W412-Y426 HydrophobicContact CZ3-CD1 3.79Å; W412-Y426 AromaticContact CZ3-CE1 3.75Å; W412-Y426 HydrophobicContact CZ3-CE1 3.75Å; S413-Y426 WeakPolarHBondContact O-CB 3.03Å; S413-Y426 WeakPolarHBondContact OG-CA 3.46Å; S413-Y426 PolarHBondContact OG-O 3.11Å; N416-Y426 HydrophobicContact CB-CD1 3.4Å; N416-Y426 VanDerWaalsContact CB-CD1 3.4Å; N416-Y426 HydrophobicContact CB-CD2 4.22Å; N416-Y426 HydrophobicContact CB-CE1 3.51Å; N416-Y426 HydrophobicContact CB-CE2 4.33Å; N416-Y426 HydrophobicContact CB-CG 3.78Å; S420-Y426 VanDerWaalsContact OG-CE2 3.32Å; S420-Y426 WeakPolarHBondContact OG-CE2 3.47Å; S420-Y426 PolarHBondContact OG-OH 2.95Å; F424-Y426 VanDerWaalsContact C-N 3.29Å; F424-Y426 HydrophobicContact CB-CD2 4.3Å; F424-Y426 HydrophobicContact CB-CE2 3.86Å; F424-Y426 AromaticContact CD1-CD1 3.53Å; F424-Y426 HydrophobicContact CD1-CD1 3.53Å; F424-Y426 HydrophobicContact CD1-CD2 4.02Å; F424-Y426 AromaticContact CD1-CE1 3.68Å; F424-Y426 HydrophobicContact CD1-CE1 3.68Å; F424-Y426 HydrophobicContact CD1-CE2 4.14Å; F424-Y426 AromaticContact CD1-CG 3.72Å; F424-Y426 HydrophobicContact CD1-CG 3.72Å; F424-Y426 AromaticContact CD1-CZ 3.99Å; F424-Y426 AromaticContact CE1-CD1 3.98Å; F424-Y426 HydrophobicContact CE1-CD1 3.98Å; F424-Y426 HydrophobicContact CE1-CE1 4.31Å; F424-Y426 HydrophobicContact CE1-CG 4.39Å; F424-Y426 HydrophobicContact CG-CE1 4.43Å; F424-Y426 HydrophobicContact CG-CE2 4.48Å; F424-Y426 WeakPolarHBondContact O-CD2 3.11Å; F424-Y426 PolarHBondContact O-N 3.35Å; Y426-G430 PolarHBondContact O-N 2.94Å
427	G	96.4	Very high	91.9	Very high	17 Å²	17	34 Å²	34	18%	0.175	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-51	175.9	0	0	0	0	0	111.2	D425 R431	D425-G427 PolarHBondContact O-N 2.95Å; D425-G427 PolarHBondContact OD1-N 2.75Å; G427-R431 VanDerWaalsContact C-CZ 3.5Å; G427-R431 WeakPolarHBondContact O-CG 3.29Å; G427-R431 VanDerWaalsContact O-CZ 3.32Å; G427-R431 PolarHBondContact O-N 3.07Å; G427-R431 VanDerWaalsContact O-N 3.15Å; G427-R431 PolarHBondContact O-NH1 3.48Å; G427-R431 VanDerWaalsContact O-NH1 3.12Å
428	A	97.1	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-47.1	175.8	0	0	0	0	0	111.8	T228 P340 Y342 D425 G430 R431 D432	T228-A428 HydrophobicContact CG2-CB 4.25Å; T228-A428 WeakPolarHBondContact OG1-CB 3.22Å; P340-A428 HydrophobicContact CB-CB 4.24Å; Y342-A428 HydrophobicContact CE1-CB 4.31Å; Y342-A428 PolarHBondContact OH-O 3.4Å; D425-A428 HydrophobicContact CB-CB 3.96Å; D425-A428 PolarHBondContact O-N 3.31Å; D425-A428 WeakPolarHBondContact OD1-CB 3.5Å; D425-A428 PolarHBondContact OD1-N 2.97Å; D425-A428 WeakPolarHBondContact OD2-CB 3.1Å; A428-G430 PolarHBondContact O-N 3.1Å; A428-R431 PolarHBondContact O-N 3.43Å; A428-D432 PolarHBondContact O-N 3.48Å
429	Y	98.1	Very high	91.9	Very high	6 Å²	6	30 Å²	30	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-49.2	179.5	-176.6	-111.8	0	0	0	111.6	Y332 Y334 Y342 W412 S413 F424 D425 R431 D432 R433	Y332-Y429 AromaticContact CD1-CE2 3.89Å; Y332-Y429 HydrophobicContact CD1-CE2 3.89Å; Y332-Y429 HydrophobicContact CE1-CE2 4.18Å; Y334-Y429 HydrophobicContact CE1-CE2 4.04Å; Y334-Y429 PolarHBondContact OH-OH 3.44Å; Y334-Y429 VanDerWaalsContact OH-OH 3.07Å; Y342-Y429 HydrophobicContact CD1-CD2 4.09Å; Y342-Y429 HydrophobicContact CD2-CD2 4.02Å; Y342-Y429 HydrophobicContact CE1-CD2 4.07Å; Y342-Y429 HydrophobicContact CE1-CG 4.37Å; Y342-Y429 HydrophobicContact CE2-CD2 4.03Å; Y342-Y429 HydrophobicContact CG-CD2 4.09Å; Y342-Y429 WeakPolarHBondContact OH-CA 3.23Å; Y342-Y429 PolarHBondContact OH-N 3.25Å; Y342-Y429 VanDerWaalsContact OH-N 3.16Å; W412-Y429 HydrophobicContact CE3-CE1 4.48Å; W412-Y429 HydrophobicContact CZ3-CD1 4.36Å; W412-Y429 HydrophobicContact CZ3-CE1 4.13Å; S413-Y429 WeakPolarHBondContact OG-CD1 3.34Å; F424-Y429 AromaticContact CE1-CD1 3.95Å; F424-Y429 HydrophobicContact CE1-CD1 3.95Å; F424-Y429 HydrophobicContact CE1-CD2 4.23Å; F424-Y429 AromaticContact CE1-CG 3.66Å; F424-Y429 HydrophobicContact CE1-CG 3.66Å; F424-Y429 HydrophobicContact CZ-CD1 4.22Å; F424-Y429 AromaticContact CZ-CD2 3.8Å; F424-Y429 HydrophobicContact CZ-CD2 3.8Å; F424-Y429 HydrophobicContact CZ-CE2 4.34Å; F424-Y429 AromaticContact CZ-CG 3.72Å; F424-Y429 HydrophobicContact CZ-CG 3.72Å; D425-Y429 WeakPolarHBondContact O-CB 3.46Å; D425-Y429 PolarHBondContact O-N 3.3Å; Y429-R431 VanDerWaalsContact C-N 3.34Å; Y429-R431 PolarHBondContact O-N 3.32Å; Y429-D432 PolarHBondContact O-N 2.89Å; Y429-R433 HydrophobicContact CD1-CG 4.15Å; Y429-R433 HydrophobicContact CD2-CG 4.32Å; Y429-R433 HydrophobicContact CE1-CG 3.92Å; Y429-R433 HydrophobicContact CE2-CG 4.08Å; Y429-R433 HydrophobicContact CG-CG 4.36Å; Y429-R433 VanDerWaalsContact O-CG 3.28Å; Y429-R433 WeakPolarHBondContact O-CG 3.32Å; Y429-R433 PolarHBondContact O-N 2.91Å; Y429-R433 PolarHBondContact OH-NH1 2.96Å
430	G	97.8	Very high	92.3	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-41.6	177.1	0	0	0	0	0	113	V410 S413 Y426 A428 L434	V410-G430 WeakPolarHBondContact CG2-O 3.35Å; S413-G430 PolarHBondContact OG-N 3.3Å; Y426-G430 PolarHBondContact O-N 2.94Å; A428-G430 PolarHBondContact O-N 3.1Å; G430-L434 VanDerWaalsContact O-CB 3.24Å; G430-L434 WeakPolarHBondContact O-CB 3.24Å; G430-L434 PolarHBondContact O-N 3.45Å
431	R	97.3	Very high	93	Very high	28 Å²	28	25.4 Å²	25.4	11%	0.106	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-42.1	177.4	-70.4	-174.9	-59.2	-86.6	-0.2	112.6	I223 E224 M225 Y226 G427 A428 Y429 L434 A435	I223-R431 HydrophobicContact CG2-CG 4.27Å; E224-R431 WeakPolarHBondContact O-CD 3.43Å; M225-R431 HydrophobicContact SD-CG 4.27Å; Y226-R431 PolarHBondContact O-NE 3.06Å; Y226-R431 VanDerWaalsContact OH-CZ 3.29Å; Y226-R431 PolarHBondContact OH-NH2 2.95Å; Y226-R431 VanDerWaalsContact OH-NH2 3.08Å; G427-R431 VanDerWaalsContact C-CZ 3.5Å; G427-R431 WeakPolarHBondContact O-CG 3.29Å; G427-R431 VanDerWaalsContact O-CZ 3.32Å; G427-R431 PolarHBondContact O-N 3.07Å; G427-R431 VanDerWaalsContact O-N 3.15Å; G427-R431 PolarHBondContact O-NH1 3.48Å; G427-R431 VanDerWaalsContact O-NH1 3.12Å; A428-R431 PolarHBondContact O-N 3.43Å; Y429-R431 VanDerWaalsContact C-N 3.34Å; Y429-R431 PolarHBondContact O-N 3.32Å; R431-L434 PolarHBondContact O-N 3.05Å; R431-A435 PolarHBondContact O-N 3.02Å
432	D	97.5	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65	-47.4	177.6	-79.7	-22.3	0	0	0	111.6	L227 T228 Q229 A230 Y342 I344 A428 Y429 L434 A435 L436	L227-D432 WeakPolarHBondContact CA-OD1 3.36Å; T228-D432 PolarHBondContact N-OD1 3.3Å; Q229-D432 WeakPolarHBondContact CB-OD2 3.46Å; Q229-D432 PolarHBondContact N-OD1 3.08Å; Q229-D432 PolarHBondContact N-OD2 2.76Å; A230-D432 HydrophobicContact CB-CB 3.8Å; A230-D432 WeakPolarHBondContact CB-OD1 3.24Å; A230-D432 PolarHBondContact N-OD1 2.84Å; A230-D432 PolarHBondContact N-OD2 2.82Å; Y342-D432 PolarHBondContact OH-OD2 3Å; I344-D432 HydrophobicContact CD1-CB 3.68Å; A428-D432 PolarHBondContact O-N 3.48Å; Y429-D432 PolarHBondContact O-N 2.89Å; D432-L434 VanDerWaalsContact C-N 3.3Å; D432-L434 PolarHBondContact O-N 3.37Å; D432-A435 PolarHBondContact O-N 3.04Å; D432-L436 WeakPolarHBondContact O-CG 3.29Å; D432-L436 PolarHBondContact O-N 2.92Å; D432-L436 VanDerWaalsContact O-N 3.08Å
433	R	98.1	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-43.9	173.8	-64.9	-65.4	-73.1	-132.3	7.8	110.7	E329 Y332 S405 N406 V410 Y429 L436 Y437	E329-R433 IonicContact OE1-NH1 3.98Å; E329-R433 PolarHBondContact OE1-NH1 2.98Å; Y332-R433 VanDerWaalsContact CD2-NH1 3.34Å; Y332-R433 VanDerWaalsContact CE1-CD 3.46Å; Y332-R433 VanDerWaalsContact CE2-NH1 3.26Å; Y332-R433 WeakPolarHBondContact OH-CD 3.46Å; S405-R433 PolarHBondContact OG-NH2 3.43Å; N406-R433 PolarHBondContact OD1-NE 3.28Å; V410-R433 HydrophobicContact CG2-CB 3.69Å; Y429-R433 HydrophobicContact CD1-CG 4.15Å; Y429-R433 HydrophobicContact CD2-CG 4.32Å; Y429-R433 HydrophobicContact CE1-CG 3.92Å; Y429-R433 HydrophobicContact CE2-CG 4.08Å; Y429-R433 HydrophobicContact CG-CG 4.36Å; Y429-R433 VanDerWaalsContact O-CG 3.28Å; Y429-R433 WeakPolarHBondContact O-CG 3.32Å; Y429-R433 PolarHBondContact O-N 2.91Å; Y429-R433 PolarHBondContact OH-NH1 2.96Å; R433-L436 PolarHBondContact O-N 3.26Å; R433-Y437 PolarHBondContact O-N 3.2Å
434	L	97.4	Very high	95.4	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-38.7	-178.8	-178.1	59.4	0	0	0	112.6	M225 I244 L249 V410 G430 R431 D432 L436 Y437 F438	M225-L434 HydrophobicContact CE-CB 3.99Å; M225-L434 HydrophobicContact CE-CD2 3.78Å; M225-L434 HydrophobicContact CE-CG 3.85Å; M225-L434 HydrophobicContact SD-CD2 3.71Å; M225-L434 HydrophobicContact SD-CG 4.45Å; I244-L434 HydrophobicContact CD1-CD2 3.98Å; I244-L434 HydrophobicContact CG2-CD2 3.76Å; L249-L434 HydrophobicContact CD2-CD1 3.93Å; L249-L434 HydrophobicContact CD2-CD2 4.04Å; V410-L434 HydrophobicContact CG1-CB 4.27Å; V410-L434 HydrophobicContact CG1-CD1 4.45Å; V410-L434 HydrophobicContact CG2-CB 3.62Å; V410-L434 HydrophobicContact CG2-CD1 4.33Å; G430-L434 VanDerWaalsContact O-CB 3.24Å; G430-L434 WeakPolarHBondContact O-CB 3.24Å; G430-L434 PolarHBondContact O-N 3.45Å; R431-L434 PolarHBondContact O-N 3.05Å; D432-L434 VanDerWaalsContact C-N 3.3Å; D432-L434 PolarHBondContact O-N 3.37Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 3.18Å; L434-Y437 HydrophobicContact CD1-CD1 3.9Å; L434-Y437 WeakPolarHBondContact O-CB 3.3Å; L434-Y437 PolarHBondContact O-N 3.42Å; L434-F438 HydrophobicContact CD1-CD2 4.11Å; L434-F438 HydrophobicContact CD1-CE2 3.66Å; L434-F438 HydrophobicContact CD1-CZ 4.46Å; L434-F438 HydrophobicContact CD2-CE2 4.35Å; L434-F438 HydrophobicContact CG-CD2 4.12Å; L434-F438 HydrophobicContact CG-CE2 3.81Å; L434-F438 VanDerWaalsContact O-CD2 3.22Å; L434-F438 WeakPolarHBondContact O-CD2 3.4Å; L434-F438 PolarHBondContact O-N 3.33Å; L434-F438 VanDerWaalsContact O-N 3.1Å
435	A	95.6	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-38.9	174.4	0	0	0	0	0	111.9	M225 L227 V232 Y240 R431 D432 F438 H439	M225-A435 HydrophobicContact CE-CB 4.4Å; L227-A435 HydrophobicContact CD1-CB 4.47Å; L227-A435 HydrophobicContact CD2-CB 3.26Å; L227-A435 HydrophobicContact CG-CB 4.49Å; V232-A435 HydrophobicContact CG2-CB 4.31Å; Y240-A435 HydrophobicContact CD1-CB 3.97Å; Y240-A435 HydrophobicContact CE1-CB 4.32Å; Y240-A435 HydrophobicContact CG-CB 4.11Å; R431-A435 PolarHBondContact O-N 3.02Å; D432-A435 PolarHBondContact O-N 3.04Å; A435-F438 PolarHBondContact O-N 2.85Å; A435-H439 PolarHBondContact O-N 3.34Å
436	L	95.8	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.6	-36.2	174.5	-70.3	165.7	0	0	0	112.4	A230 V232 Y332 I344 Q346 F349 D432 R433 L434 H439 Q440	A230-L436 HydrophobicContact CB-CD1 4.2Å; A230-L436 HydrophobicContact CB-CG 4.18Å; V232-L436 HydrophobicContact CG2-CD2 4Å; V232-L436 HydrophobicContact CG2-CG 4.47Å; Y332-L436 HydrophobicContact CE1-CD1 4.46Å; Y332-L436 WeakPolarHBondContact OH-CD1 3.44Å; I344-L436 HydrophobicContact CD1-CD1 4.16Å; I344-L436 HydrophobicContact CG2-CD1 4.34Å; Q346-L436 HydrophobicContact CG-CD2 4.2Å; F349-L436 HydrophobicContact CD2-CD2 4.41Å; F349-L436 HydrophobicContact CE2-CD1 3.8Å; F349-L436 HydrophobicContact CE2-CD2 4.08Å; F349-L436 HydrophobicContact CZ-CD1 4.41Å; D432-L436 WeakPolarHBondContact O-CG 3.29Å; D432-L436 PolarHBondContact O-N 2.92Å; D432-L436 VanDerWaalsContact O-N 3.08Å; R433-L436 PolarHBondContact O-N 3.26Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 3.18Å; L436-H439 PolarHBondContact O-N 3.18Å; L436-Q440 WeakPolarHBondContact O-CB 3.31Å; L436-Q440 WeakPolarHBondContact O-CG 3.26Å; L436-Q440 PolarHBondContact O-N 3.46Å
437	Y	97.2	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-53.4	-54.4	168.6	161.4	-100.7	0	0	0	110.8	E252 V256 P403 I407 R433 L434 H439 Q440 K441	E252-Y437 HydrophobicContact CB-CE1 4.03Å; E252-Y437 HydrophobicContact CG-CE1 4.03Å; E252-Y437 VanDerWaalsContact OE2-CE1 3.31Å; E252-Y437 WeakPolarHBondContact OE2-CE1 3.3Å; E252-Y437 PolarHBondContact OE2-OH 3.37Å; V256-Y437 HydrophobicContact CG2-CE2 3.89Å; P403-Y437 HydrophobicContact CB-CD2 3.79Å; P403-Y437 HydrophobicContact CB-CE2 4.3Å; P403-Y437 VanDerWaalsContact O-CD2 3.31Å; P403-Y437 WeakPolarHBondContact O-CD2 3.44Å; I407-Y437 HydrophobicContact CB-CD2 3.84Å; I407-Y437 HydrophobicContact CB-CE2 4.15Å; I407-Y437 HydrophobicContact CB-CG 4.18Å; I407-Y437 HydrophobicContact CD1-CD2 4.48Å; I407-Y437 HydrophobicContact CD1-CE1 4.14Å; I407-Y437 HydrophobicContact CD1-CE2 4.1Å; I407-Y437 HydrophobicContact CG2-CD2 4.31Å; I407-Y437 HydrophobicContact CG2-CE2 4.33Å; R433-Y437 PolarHBondContact O-N 3.2Å; L434-Y437 HydrophobicContact CD1-CD1 3.9Å; L434-Y437 WeakPolarHBondContact O-CB 3.3Å; L434-Y437 PolarHBondContact O-N 3.42Å; Y437-H439 VanDerWaalsContact C-N 3.32Å; Y437-H439 PolarHBondContact O-N 3.23Å; Y437-Q440 CarbonylContact O-C 3.48Å; Y437-Q440 PolarHBondContact O-N 2.58Å; Y437-K441 HydrophobicContact CE1-CD 4.18Å; Y437-K441 VanDerWaalsContact O-CB 3.3Å; Y437-K441 WeakPolarHBondContact O-CB 3.33Å; Y437-K441 PolarHBondContact O-N 2.81Å
438	F	95.3	Very high	95.8	Very high	23 Å²	23	25 Å²	25	10%	0.101	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-40	179.6	-77.9	-67.2	0	0	0	112.4	P241 I244 E252 L434 A435 Q440 K441	P241-F438 VanDerWaalsContact CD-CE2 3.45Å; P241-F438 HydrophobicContact CG-CE2 4.2Å; P241-F438 HydrophobicContact CG-CZ 4.25Å; I244-F438 HydrophobicContact CD1-CE2 4.04Å; I244-F438 HydrophobicContact CD1-CZ 3.9Å; E252-F438 HydrophobicContact CG-CE1 4.26Å; E252-F438 HydrophobicContact CG-CZ 4.13Å; L434-F438 HydrophobicContact CD1-CD2 4.11Å; L434-F438 HydrophobicContact CD1-CE2 3.66Å; L434-F438 HydrophobicContact CD1-CZ 4.46Å; L434-F438 HydrophobicContact CD2-CE2 4.35Å; L434-F438 HydrophobicContact CG-CD2 4.12Å; L434-F438 HydrophobicContact CG-CE2 3.81Å; L434-F438 VanDerWaalsContact O-CD2 3.22Å; L434-F438 WeakPolarHBondContact O-CD2 3.4Å; L434-F438 PolarHBondContact O-N 3.33Å; L434-F438 VanDerWaalsContact O-N 3.1Å; A435-F438 PolarHBondContact O-N 2.85Å; F438-Q440 VanDerWaalsContact C-N 3.31Å; F438-Q440 PolarHBondContact O-N 2.79Å; F438-K441 HydrophobicContact CD1-CD 4.45Å; F438-K441 PolarHBondContact O-N 2.94Å
439	H	92.5	Very high	95.7	Very high	28 Å²	28	29 Å²	29	13%	0.13	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-38.5	177.2	-177.3	69.3	0	0	0	112.8	V232 D236 A435 L436 Y437 K442	V232-H439 HydrophobicContact CG1-CB 3.89Å; V232-H439 HydrophobicContact CG2-CB 4.21Å; D236-H439 IonicContact OD2-CE1 3.67Å; D236-H439 IonicContact OD2-ND1 3.59Å; A435-H439 PolarHBondContact O-N 3.34Å; L436-H439 PolarHBondContact O-N 3.18Å; Y437-H439 VanDerWaalsContact C-N 3.32Å; Y437-H439 PolarHBondContact O-N 3.23Å; H439-K442 PolarHBondContact CE1-NZ 3.01Å; H439-K442 WeakPolarHBondContact O-CD 3.44Å; H439-K442 WeakPolarHBondContact O-CE 3.46Å; H439-K442 WeakPolarHBondContact O-CG 3.45Å
440	Q	93.8	Very high	95.3	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.075	17%	0.171	C	C	.	.	H	α-helix	trans	-90.3	-17.2	-178.2	-66.8	174.4	-24.4	0	0	113.4	P403 N406 L436 Y437 F438 K442 N443	P403-Q440 HydrophobicContact CB-CB 3.97Å; P403-Q440 HydrophobicContact CG-CB 4.09Å; N406-Q440 PolarHBondContact ND2-OE1 3.28Å; L436-Q440 WeakPolarHBondContact O-CB 3.31Å; L436-Q440 WeakPolarHBondContact O-CG 3.26Å; L436-Q440 PolarHBondContact O-N 3.46Å; Y437-Q440 CarbonylContact O-C 3.48Å; Y437-Q440 PolarHBondContact O-N 2.58Å; F438-Q440 VanDerWaalsContact C-N 3.31Å; F438-Q440 PolarHBondContact O-N 2.79Å; Q440-K442 PolarHBondContact O-N 3.34Å; Q440-K442 VanDerWaalsContact O-N 3.09Å; Q440-N443 VanDerWaalsContact O-CB 3.31Å; Q440-N443 WeakPolarHBondContact O-CB 3.44Å; Q440-N443 PolarHBondContact O-N 2.91Å
441	K	95	Very high	94.8	Very high	27 Å²	27	40.6 Å²	40.6	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-53.3	-31.6	179.4	-177.5	-178	174	179.4	0	112.7	E252 F255 Y437 F438 N443 L444 E445	E252-K441 IonicContact OE1-NZ 3.11Å; E252-K441 PolarHBondContact OE1-NZ 2.91Å; E252-K441 WeakPolarHBondContact OE2-CE 3.11Å; E252-K441 IonicContact OE2-NZ 3.36Å; E252-K441 PolarHBondContact OE2-NZ 2.81Å; F255-K441 HydrophobicContact CD1-CD 4.45Å; F255-K441 HydrophobicContact CD1-CG 4.42Å; F255-K441 HydrophobicContact CE1-CD 4.19Å; F255-K441 HydrophobicContact CE1-CG 3.74Å; F255-K441 HydrophobicContact CZ-CG 4.26Å; Y437-K441 HydrophobicContact CE1-CD 4.18Å; Y437-K441 VanDerWaalsContact O-CB 3.3Å; Y437-K441 WeakPolarHBondContact O-CB 3.33Å; Y437-K441 PolarHBondContact O-N 2.81Å; F438-K441 HydrophobicContact CD1-CD 4.45Å; F438-K441 PolarHBondContact O-N 2.94Å; K441-N443 PolarHBondContact O-N 2.87Å; K441-N443 VanDerWaalsContact O-N 3.09Å; K441-L444 WeakPolarHBondContact O-CA 3.29Å; K441-L444 VanDerWaalsContact O-CB 3.32Å; K441-L444 WeakPolarHBondContact O-CB 3.36Å; K441-L444 PolarHBondContact O-N 3.33Å; K441-E445 WeakPolarHBondContact CE-OE1 3.35Å; K441-E445 HydrophobicContact CG-CG 4.34Å; K441-E445 PolarHBondContact O-N 2.7Å
442	K	90.6	Very high	94.6	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	21%	0.207	S	C	.	.	H	α-helix	trans	-52.1	-30.8	173.4	68.1	-170.2	174.9	-167.5	0	113.7	H439 Q440 K446	H439-K442 PolarHBondContact CE1-NZ 3.01Å; H439-K442 WeakPolarHBondContact O-CD 3.44Å; H439-K442 WeakPolarHBondContact O-CE 3.46Å; H439-K442 WeakPolarHBondContact O-CG 3.45Å; Q440-K442 PolarHBondContact O-N 3.34Å; Q440-K442 VanDerWaalsContact O-N 3.09Å; K442-K446 VanDerWaalsContact O-CB 3.27Å; K442-K446 WeakPolarHBondContact O-CB 3.37Å; K442-K446 PolarHBondContact O-N 2.74Å
443	N	93.7	Very high	94.5	Very high	52 Å²	52	43.4 Å²	43.4	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-69	-41	176.9	-63.1	-21.5	0	0	0	110.8	L400 Q440 K441 Y447	L400-N443 HydrophobicContact CD2-CB 4.12Å; L400-N443 WeakPolarHBondContact CD2-O 3.36Å; Q440-N443 VanDerWaalsContact O-CB 3.31Å; Q440-N443 WeakPolarHBondContact O-CB 3.44Å; Q440-N443 PolarHBondContact O-N 2.91Å; K441-N443 PolarHBondContact O-N 2.87Å; K441-N443 VanDerWaalsContact O-N 3.09Å; N443-Y447 WeakPolarHBondContact O-CB 3.35Å; N443-Y447 PolarHBondContact O-N 3.44Å
444	L	96.6	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-46.1	174.6	-59.4	-174.6	0	0	0	111.3	F255 F259 L400 P403 V404 K441 K446 Y447 L448	F255-L444 HydrophobicContact CE1-CB 3.86Å; F255-L444 HydrophobicContact CE1-CD1 3.88Å; F255-L444 HydrophobicContact CZ-CB 3.92Å; F259-L444 HydrophobicContact CD1-CD1 4.41Å; F259-L444 HydrophobicContact CD1-CD2 3.79Å; F259-L444 HydrophobicContact CD2-CB 4.48Å; F259-L444 HydrophobicContact CD2-CD2 3.66Å; F259-L444 HydrophobicContact CE1-CD2 3.71Å; F259-L444 HydrophobicContact CE2-CD2 3.58Å; F259-L444 HydrophobicContact CG-CD1 4.39Å; F259-L444 HydrophobicContact CG-CD2 3.77Å; F259-L444 HydrophobicContact CG-CG 4.5Å; F259-L444 HydrophobicContact CZ-CD2 3.61Å; L400-L444 HydrophobicContact CB-CD2 4.09Å; L400-L444 HydrophobicContact CD2-CD2 4.24Å; L400-L444 WeakPolarHBondContact O-CD2 3.48Å; P403-L444 HydrophobicContact CB-CD1 4.19Å; P403-L444 HydrophobicContact CG-CD1 3.8Å; P403-L444 HydrophobicContact CG-CD2 4.12Å; P403-L444 HydrophobicContact CG-CG 3.76Å; V404-L444 HydrophobicContact CG2-CD1 4.48Å; K441-L444 WeakPolarHBondContact O-CA 3.29Å; K441-L444 VanDerWaalsContact O-CB 3.32Å; K441-L444 WeakPolarHBondContact O-CB 3.36Å; K441-L444 PolarHBondContact O-N 3.33Å; L444-K446 PolarHBondContact O-N 3.36Å; L444-Y447 PolarHBondContact O-N 3.04Å; L444-L448 WeakPolarHBondContact O-CB 3.32Å; L444-L448 WeakPolarHBondContact O-CG 3.33Å; L444-L448 PolarHBondContact O-N 2.98Å
445	E	95.1	Very high	94.1	Very high	66 Å²	66	48.3 Å²	48.3	31%	0.308	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-44.9	178.7	-67.9	175.2	159.8	0	0	111.5	F255 K441 L448 S449	F255-E445 HydrophobicContact CE2-CG 4.17Å; F255-E445 HydrophobicContact CZ-CG 3.73Å; K441-E445 WeakPolarHBondContact CE-OE1 3.35Å; K441-E445 HydrophobicContact CG-CG 4.34Å; K441-E445 PolarHBondContact O-N 2.7Å; E445-L448 PolarHBondContact O-N 2.8Å; E445-S449 WeakPolarHBondContact O-CB 3.39Å; E445-S449 PolarHBondContact O-N 2.91Å; E445-S449 PolarHBondContact O-OG 3.21Å
446	K	95.1	Very high	94	Very high	142 Å²	142	51.3 Å²	51.3	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-45.9	175.6	-177.1	-179.1	176.7	-173.1	0	111.5	K442 L444 S449 N450	K442-K446 VanDerWaalsContact O-CB 3.27Å; K442-K446 WeakPolarHBondContact O-CB 3.37Å; K442-K446 PolarHBondContact O-N 2.74Å; L444-K446 PolarHBondContact O-N 3.36Å; K446-S449 PolarHBondContact O-N 3.45Å; K446-S449 PolarHBondContact O-OG 3.04Å; K446-N450 PolarHBondContact O-N 2.83Å; K446-N450 PolarHBondContact O-ND2 3.2Å; K446-N450 VanDerWaalsContact O-ND2 3.11Å
447	Y	96.2	Very high	93.9	Very high	33 Å²	33	54.7 Å²	54.7	13%	0.129	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-50.9	177.2	177.3	-92.4	0	0	0	111.2	F259 H262 S263 L400 N443 L444 S449 N450 L451	F259-Y447 HydrophobicContact CD2-CD1 4.04Å; F259-Y447 HydrophobicContact CD2-CE1 4.44Å; F259-Y447 AromaticContact CE2-CD1 3.71Å; F259-Y447 HydrophobicContact CE2-CD1 3.71Å; F259-Y447 HydrophobicContact CE2-CE1 4Å; F259-Y447 HydrophobicContact CE2-CG 4.35Å; H262-Y447 PolarHBondContact O-OH 2.64Å; S263-Y447 PolarHBondContact O-OH 2.84Å; L400-Y447 HydrophobicContact CD1-CD1 4.38Å; L400-Y447 HydrophobicContact CD1-CD2 3.41Å; L400-Y447 VanDerWaalsContact CD1-CD2 3.41Å; L400-Y447 HydrophobicContact CD1-CE2 3.8Å; L400-Y447 HydrophobicContact CD1-CG 3.74Å; L400-Y447 HydrophobicContact CD2-CD2 4.49Å; L400-Y447 HydrophobicContact CD2-CG 4.29Å; N443-Y447 WeakPolarHBondContact O-CB 3.35Å; N443-Y447 PolarHBondContact O-N 3.44Å; L444-Y447 PolarHBondContact O-N 3.04Å; Y447-S449 VanDerWaalsContact C-N 3.28Å; Y447-S449 PolarHBondContact O-N 3.37Å; Y447-N450 PolarHBondContact O-N 3.01Å; Y447-L451 HydrophobicContact CD1-CD1 4.39Å; Y447-L451 HydrophobicContact CE1-CD1 4Å; Y447-L451 HydrophobicContact CE1-CD2 4.07Å; Y447-L451 HydrophobicContact CE1-CG 4.2Å; Y447-L451 PolarHBondContact O-N 3.48Å
448	L	96.3	Very high	93.7	Very high	25 Å²	25	58.6 Å²	58.6	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-31.8	179.9	-71.7	174.6	0	0	0	113.4	F255 F258 F259 H262 L444 E445 N450 L451	F255-L448 HydrophobicContact CE2-CD1 3.8Å; F255-L448 HydrophobicContact CZ-CD1 3.96Å; F258-L448 HydrophobicContact CD1-CD1 3.78Å; F258-L448 HydrophobicContact CD1-CD2 4Å; F258-L448 HydrophobicContact CE1-CD1 4.05Å; F258-L448 HydrophobicContact CE1-CD2 3.79Å; F258-L448 HydrophobicContact CE1-CG 4.42Å; F259-L448 HydrophobicContact CB-CD1 4.27Å; F259-L448 HydrophobicContact CD2-CD2 4.42Å; F259-L448 HydrophobicContact CD2-CG 4.43Å; H262-L448 HydrophobicContact CB-CD2 4.15Å; L444-L448 WeakPolarHBondContact O-CB 3.32Å; L444-L448 WeakPolarHBondContact O-CG 3.33Å; L444-L448 PolarHBondContact O-N 2.98Å; E445-L448 PolarHBondContact O-N 2.8Å; L448-N450 PolarHBondContact O-N 3Å; L448-L451 HydrophobicContact CD2-CD1 3.65Å; L448-L451 PolarHBondContact O-N 3.34Å
449	S	94	Very high	93.5	Very high	85 Å²	85	61.4 Å²	61.4	59%	0.594	31%	0.31	S	S	*	.	H	α-helix	trans	-71.2	-15.9	175.9	69.5	0	0	0	0	114.4	E445 K446 Y447	E445-S449 WeakPolarHBondContact O-CB 3.39Å; E445-S449 PolarHBondContact O-N 2.91Å; E445-S449 PolarHBondContact O-OG 3.21Å; K446-S449 PolarHBondContact O-N 3.45Å; K446-S449 PolarHBondContact O-OG 3.04Å; Y447-S449 VanDerWaalsContact C-N 3.28Å; Y447-S449 PolarHBondContact O-N 3.37Å
450	N	91	Very high	93.6	Very high	122 Å²	122	64.2 Å²	64.2	65%	0.652	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-4.3	-180	-65.1	-31.9	0	0	0	113.3	K446 Y447 L448	K446-N450 PolarHBondContact O-N 2.83Å; K446-N450 PolarHBondContact O-ND2 3.2Å; K446-N450 VanDerWaalsContact O-ND2 3.11Å; Y447-N450 PolarHBondContact O-N 3.01Å; L448-N450 PolarHBondContact O-N 3Å
451	L	86	Confident	93.6	Very high	129 Å²	129	68.5 Å²	68.5	68%	0.675	35%	0.347	S	S	*	.			trans	-76.5	0	170.5	-64.6	175.8	0	0	0	110.4	H262 Y447 L448	H262-L451 HydrophobicContact CB-CD1 3.51Å; Y447-L451 HydrophobicContact CD1-CD1 4.39Å; Y447-L451 HydrophobicContact CE1-CD1 4Å; Y447-L451 HydrophobicContact CE1-CD2 4.07Å; Y447-L451 HydrophobicContact CE1-CG 4.2Å; Y447-L451 PolarHBondContact O-N 3.48Å; L448-L451 HydrophobicContact CD2-CD1 3.65Å; L448-L451 PolarHBondContact O-N 3.34Å

Retrieved 451 of 451 residues in 425.7 ms (Link to these results)

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