A0A077ZJF5_TRITR Loading...

Muscle cell intermediate filament protein OV71

AlphaFold DB , UniProt , Accession A0A077ZJF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 559 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	43.1	Very low	45.6	Very low	246 Å²	246	161.7 Å²	161.7	100%	1.212	86%	0.861	S	S	*	*				0	135.4	0	-75.9	178.5	166.3	0	0	108.1
2	S	45.7	Very low	45.4	Very low	116 Å²	116	162.3 Å²	162.3	81%	0.811	86%	0.855	S	S	*	*			trans	59.4	91.7	176.5	-66.7	0	0	0	0	119
3	K	42.4	Very low	45.7	Very low	215 Å²	215	154.5 Å²	154.5	94%	0.935	84%	0.837	S	S	*	*			trans	-75.8	107.7	148.5	-82.2	-179	173.7	-179.2	0	107.4	A5	K3-A5 PolarHBondContact O-N 3.21Å
4	T	51.2	Low	45.5	Very low	132 Å²	132	156.3 Å²	156.3	81%	0.81	84%	0.837	S	S	*	*			trans	-72.4	106.3	169.5	5.3	0	0	0	0	108.2	E6	T4-E6 PolarHBondContact O-N 2.88Å
5	A	46.3	Very low	46.6	Very low	97 Å²	97	160.2 Å²	160.2	80%	0.802	84%	0.837	S	S	*	*			trans	-80.8	105.1	166.2	0	0	0	0	0	107.4	K3 S7	K3-A5 PolarHBondContact O-N 3.21Å; A5-S7 PolarHBondContact O-N 2.83Å; A5-S7 VanDerWaalsContact O-N 3.1Å
6	E	44.3	Very low	46.5	Very low	185 Å²	185	165.1 Å²	165.1	86%	0.864	84%	0.841	S	S	*	*			trans	-69.5	101.1	169.3	-80	176.1	158.2	0	0	108.3	T4 T8	T4-E6 PolarHBondContact O-N 2.88Å; E6-T8 PolarHBondContact O-N 3.35Å
7	S	48.6	Very low	47.1	Very low	101 Å²	101	160.2 Å²	160.2	71%	0.706	83%	0.825	S	S	*	*			trans	-78.3	94.6	169.6	174.2	0	0	0	0	108.2	A5 L9	A5-S7 PolarHBondContact O-N 2.83Å; A5-S7 VanDerWaalsContact O-N 3.1Å; S7-L9 PolarHBondContact O-N 3.37Å; S7-L9 VanDerWaalsContact O-N 3.07Å
8	T	43.6	Very low	47.7	Very low	133 Å²	133	157.7 Å²	157.7	82%	0.816	82%	0.824	S	S	*	*			trans	-64.8	103.2	168	5.1	0	0	0	0	108.8	E6 E10	E6-T8 PolarHBondContact O-N 3.35Å; T8-E10 PolarHBondContact O-N 3.24Å
9	L	46.1	Very low	48	Very low	156 Å²	156	157.3 Å²	157.3	82%	0.817	82%	0.821	S	S	*	*			trans	-72.7	101.4	169.3	-82.6	149.2	0	0	0	108.3	S7 Y11	S7-L9 PolarHBondContact O-N 3.37Å; S7-L9 VanDerWaalsContact O-N 3.07Å; L9-Y11 PolarHBondContact O-N 3.35Å
10	E	42.3	Very low	48.3	Very low	177 Å²	177	155.4 Å²	155.4	83%	0.827	82%	0.817	S	S	*	*			trans	-68.5	105.5	166.8	-74	178.8	167	0	0	108.6	T8 E12	T8-E10 PolarHBondContact O-N 3.24Å; E10-E12 PolarHBondContact O-N 3.31Å
11	Y	47.9	Very low	48.1	Very low	221 Å²	221	153.8 Å²	153.8	87%	0.867	82%	0.816	S	S	*	*			trans	-87.5	84	177.3	-155.5	-89.8	0	0	0	108.5	L9 G13	L9-Y11 PolarHBondContact O-N 3.35Å; Y11-G13 VanDerWaalsContact C-N 3.3Å; Y11-G13 PolarHBondContact O-N 2.93Å
12	E	43.3	Very low	48.2	Very low	169 Å²	169	153.9 Å²	153.9	79%	0.79	80%	0.802	S	S	*	*			trans	-73.1	85.6	169.4	-70.9	-148.9	151.2	0	0	109.9	E10 E14	E10-E12 PolarHBondContact O-N 3.31Å; E12-E14 PolarHBondContact O-N 2.9Å
13	G	48.9	Very low	47.9	Very low	60 Å²	60	154.9 Å²	154.9	62%	0.619	80%	0.804	S	S	*	*			trans	-79.8	89.2	169.5	0	0	0	0	0	110.8	Y11 Y15	Y11-G13 VanDerWaalsContact C-N 3.3Å; Y11-G13 PolarHBondContact O-N 2.93Å; G13-Y15 PolarHBondContact O-N 3.4Å
14	E	43.2	Very low	47.8	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	80%	0.797	S	S	*	*			trans	-67.1	97.3	167	-74.1	-173.6	155.3	0	0	110.1	E12 R16	E12-E14 PolarHBondContact O-N 2.9Å; E14-R16 PolarHBondContact O-N 3.45Å
15	Y	61.9	Low	47.3	Very low	215 Å²	215	146.6 Å²	146.6	84%	0.843	80%	0.797	S	S	*	*			trans	-76.1	107.2	174.2	-175.5	-98.3	0	0	0	110.4	G13	G13-Y15 PolarHBondContact O-N 3.4Å
16	R	45.9	Very low	46.9	Very low	239 Å²	239	152.4 Å²	152.4	90%	0.902	80%	0.798	S	S	*	*			trans	-107.3	113.2	175.5	-148.8	179.8	-170.4	-167.3	4.3	110	E14	E14-R16 PolarHBondContact O-N 3.45Å
17	S	56.9	Low	46.5	Very low	81 Å²	81	148.9 Å²	148.9	57%	0.566	79%	0.794	S	S	*	*			trans	-72.5	138	177.5	113.9	0	0	0	0	111
18	S	57.9	Low	46	Very low	115 Å²	115	149.6 Å²	149.6	80%	0.804	80%	0.799	S	S	*	*			trans	-101.9	23.9	-175.6	65.7	0	0	0	0	113.7	T20	S18-T20 PolarHBondContact O-N 2.87Å
19	I	52.2	Low	45.5	Very low	150 Å²	150	149.6 Å²	149.6	77%	0.769	80%	0.799	S	S	*	*			trans	-92.7	102.5	-174.7	-60.2	175	0	0	0	109.7
20	T	54.7	Low	45	Very low	120 Å²	120	154.1 Å²	154.1	74%	0.736	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.2	135.5	171.1	47.6	0	0	0	0	111.8	S18	S18-T20 PolarHBondContact O-N 2.87Å
21	P	44.1	Very low	44.5	Very low	122 Å²	122	150.5 Å²	150.5	79%	0.792	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.3	-179.2	28.4	-32.1	0	0	0	112
22	R	44.1	Very low	43.8	Very low	247 Å²	247	145 Å²	145	93%	0.932	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-89.6	117.1	173.2	-67.8	-175.9	176.9	-144.2	-0.8	109.4
23	T	39.3	Very low	43.4	Very low	137 Å²	137	142 Å²	142	84%	0.84	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-80.7	123.8	173.4	110.9	0	0	0	0	108.2
24	A	41.7	Very low	42.5	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	80%	0.8	S	S	*	*			trans	-106.6	105	176.5	0	0	0	0	0	108.6	R26	A24-R26 PolarHBondContact O-N 3.39Å
25	G	41.1	Very low	42.3	Very low	79 Å²	79	142.7 Å²	142.7	81%	0.814	80%	0.801	S	S	*	*			trans	-67.9	117.7	173.7	0	0	0	0	0	111
26	R	36.9	Very low	40.7	Very low	219 Å²	219	136.1 Å²	136.1	83%	0.826	80%	0.799	S	S	*	*			trans	-85.6	109.3	171.7	-91.2	177.9	156.5	-167.6	-3.8	109.7	A24	A24-R26 PolarHBondContact O-N 3.39Å
27	S	36.7	Very low	40.3	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	80%	0.798	S	S	*	*			trans	-94.7	123.2	160.8	-173.3	0	0	0	0	108.3
28	S	37.7	Very low	38.9	Very low	116 Å²	116	131.6 Å²	131.6	81%	0.811	81%	0.81	S	S	*	*			trans	-128.7	91.6	179	167.1	0	0	0	0	108.9
29	T	33.2	Very low	37.6	Very low	132 Å²	132	130.5 Å²	130.5	81%	0.81	81%	0.807	S	S	*	*			trans	-104.3	122.9	164	21.7	0	0	0	0	108.2
30	R	34.1	Very low	36.8	Very low	251 Å²	251	132.8 Å²	132.8	95%	0.947	82%	0.815	S	S	*	*			trans	-147.4	110.4	163.7	-148	169.2	171.9	176.5	-2.9	110.9
31	S	33	Very low	35.9	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	82%	0.82	S	S	*	*			trans	-92.6	152.4	177.8	45.8	0	0	0	0	111.6
32	S	33	Very low	35.7	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	82%	0.824	S	S	*	*			trans	52.5	127.1	142.8	64.9	0	0	0	0	120.3
33	S	35.7	Very low	35.1	Very low	107 Å²	107	126.5 Å²	126.5	75%	0.748	82%	0.821	S	S	*	*				167.1	123.4	102.2	55.1	0	0	0	0	110
34	G	28.9	Very low	34.9	Very low	78 Å²	78	123.5 Å²	123.5	80%	0.804	82%	0.818	S	S	*	*			trans	-79.9	152.4	168.2	0	0	0	0	0	111.5
35	M	38.9	Very low	34.9	Very low	176 Å²	176	130.9 Å²	130.9	87%	0.867	83%	0.825	S	S	*	*			trans	-140.7	106	168.9	-69.9	171.7	72	0	0	107.6
36	G	28.9	Very low	34.9	Very low	78 Å²	78	134.1 Å²	134.1	80%	0.804	83%	0.829	S	S	*	*			trans	-82.1	149.3	160.9	0	0	0	0	0	109.3
37	S	36.6	Very low	34.7	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	83%	0.832	S	S	*	*			trans	-145.1	124.9	167.7	-74.4	0	0	0	0	109
38	A	29.2	Very low	34.8	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	84%	0.837	S	S	*	*			trans	-104.8	157.7	-175.4	0	0	0	0	0	110.7
39	A	29.1	Very low	34.8	Very low	91 Å²	91	138 Å²	138	75%	0.752	84%	0.836	S	S	*	*			trans	64.9	127.4	149.1	0	0	0	0	0	119.1
40	Q	36.6	Very low	34.9	Very low	199 Å²	199	137.1 Å²	137.1	93%	0.93	83%	0.83	S	S	*	*				-168.4	126.6	120.6	-102.1	169.9	35.2	0	0	111.5
41	T	35.7	Very low	35	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	82%	0.824	S	S	*	*			trans	-89.4	142.5	174.8	43.2	0	0	0	0	111.2
42	P	38.5	Very low	34.9	Very low	134 Å²	134	134.4 Å²	134.4	87%	0.87	83%	0.827	S	S	*	*			trans	-97.4	126.5	178.6	31.7	-22.3	0	0	0	112.1
43	G	32.1	Very low	35.1	Very low	85 Å²	85	138.6 Å²	138.6	88%	0.876	84%	0.837	S	S	*	*			trans	-109.4	125	172.9	0	0	0	0	0	111.3
44	G	36.2	Very low	35.2	Very low	75 Å²	75	137.7 Å²	137.7	77%	0.773	84%	0.844	S	S	*	*			trans	-139.3	120	172.6	0	0	0	0	0	110.6
45	R	40.6	Very low	35.3	Very low	250 Å²	250	139.4 Å²	139.4	94%	0.943	84%	0.844	S	S	*	*			trans	-132.9	127.2	169.5	-72.6	-175.6	180	175.2	0.2	108.1
46	V	41	Very low	34.9	Very low	147 Å²	147	136.5 Å²	136.5	89%	0.891	84%	0.841	S	S	*	*			trans	-107.2	126.6	-179.8	176	0	0	0	0	108.4
47	L	34	Very low	35.3	Very low	169 Å²	169	139.2 Å²	139.2	89%	0.885	84%	0.842	S	S	*	*			trans	-95.3	130.7	173.8	-83.7	134.1	0	0	0	109.7
48	K	37.7	Very low	35.1	Very low	205 Å²	205	140 Å²	140	89%	0.891	84%	0.841	S	S	*	*			trans	-111.5	114.9	179.2	-172.6	179.2	-177.9	-178.8	0	108.5
49	I	37.8	Very low	35.3	Very low	152 Å²	152	141 Å²	141	78%	0.779	84%	0.842	S	S	*	*			trans	-90.2	137.7	-177.8	-66.1	172.6	0	0	0	109.9
50	V	35.6	Very low	35.5	Very low	115 Å²	115	140.3 Å²	140.3	70%	0.697	84%	0.844	S	S	*	*			trans	-84.3	141.1	177.5	174.3	0	0	0	0	109.5	E52	V50-E52 HydrophobicContact CG1-CG 4.05Å
51	T	36.2	Very low	35.2	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	84%	0.84	S	S	*	*			trans	-123.7	111.3	170.8	-54.6	0	0	0	0	108.4
52	E	29.9	Very low	35.1	Very low	162 Å²	162	136.9 Å²	136.9	76%	0.757	83%	0.833	S	S	*	*			trans	-97.8	178.6	170.2	-64.1	-175.5	162.9	0	0	110	V50	V50-E52 HydrophobicContact CG1-CG 4.05Å
53	M	38.1	Very low	35.2	Very low	192 Å²	192	136 Å²	136	95%	0.946	83%	0.827	S	S	*	*			trans	105.8	84	166.7	-54	-175.4	119.2	0	0	116
54	G	37.2	Very low	35.5	Very low	87 Å²	87	137 Å²	137	90%	0.897	82%	0.82	S	S	*	*			trans	-95.8	114.9	155.4	0	0	0	0	0	109.5
55	S	30.9	Very low	35.6	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	83%	0.826	S	S	*	*			trans	-86.8	138.5	-173.3	179.9	0	0	0	0	112.4
56	S	31	Very low	35.9	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	80%	0.804	S	S	*	*			trans	-87.3	126.5	172.7	42.1	0	0	0	0	111.1
57	T	36.7	Very low	36.4	Very low	134 Å²	134	130.7 Å²	130.7	82%	0.822	79%	0.788	S	S	*	*			trans	-95.3	111	176.9	50.7	0	0	0	0	111
58	V	32.4	Very low	37.3	Very low	143 Å²	143	129 Å²	129	87%	0.867	78%	0.78	S	S	*	*			trans	-95.6	133.8	165.6	89.5	0	0	0	0	107.8
59	S	33.6	Very low	38	Very low	120 Å²	120	121.7 Å²	121.7	84%	0.839	76%	0.757	S	S	*	*			trans	-155.5	131.7	179.9	-74.6	0	0	0	0	111.5
60	G	34.2	Very low	38.9	Very low	76 Å²	76	116.6 Å²	116.6	78%	0.784	74%	0.738	S	S	*	*			trans	141.4	61	156.4	0	0	0	0	0	117.3
61	I	30	Very low	39.9	Very low	166 Å²	166	118 Å²	118	85%	0.851	74%	0.737	S	S	*	*			trans	-142.3	131.8	158.3	-59.7	-178.4	0	0	0	110.4
62	S	32.9	Very low	41.2	Very low	98 Å²	98	115.1 Å²	115.1	69%	0.685	72%	0.722	S	S	*	*			trans	82.4	112.3	160.5	-66.8	0	0	0	0	121
63	P	41	Very low	42.7	Very low	117 Å²	117	114.3 Å²	114.3	76%	0.76	72%	0.717	S	S	*	*			trans	-93.8	155.8	168.2	36	-27.9	0	0	0	112
64	S	39.4	Very low	43.9	Very low	104 Å²	104	110.9 Å²	110.9	73%	0.727	70%	0.701	S	S	*	*	S	Bend	trans	102.4	-12.9	156.7	80.3	0	0	0	0	121.2
65	F	36.5	Very low	45.4	Very low	206 Å²	206	109.8 Å²	109.8	90%	0.904	68%	0.684	S	S	*	*	S	Bend	trans	-102.4	-6.8	158.8	-81.1	-84	0	0	0	113.6
66	S	48.5	Very low	47.5	Very low	68 Å²	68	106.9 Å²	106.9	48%	0.476	67%	0.667	S	S	.	*	S	Bend	trans	-90.5	-5.3	-174.5	-163.3	0	0	0	0	115	N68 A69 A70	S66-N68 PolarHBondContact O-N 3.16Å; S66-A69 PolarHBondContact O-N 3.44Å; S66-A70 WeakPolarHBondContact O-CB 3.37Å; S66-A70 PolarHBondContact O-N 2.86Å
67	A	51.9	Low	49.4	Very low	67 Å²	67	103.8 Å²	103.8	55%	0.554	64%	0.643	S	S	*	*	H	α-helix	trans	-67.3	-38.3	-175.9	0	0	0	0	0	113	Q71	A67-Q71 PolarHBondContact O-N 3.28Å
68	N	51	Low	51.3	Low	134 Å²	134	102 Å²	102	72%	0.717	63%	0.626	S	S	*	*	H	α-helix	trans	-78	-33.2	177.2	-71.7	-5.9	0	0	0	112	S66 S72	S66-N68 PolarHBondContact O-N 3.16Å; N68-S72 WeakPolarHBondContact O-CB 3.46Å; N68-S72 PolarHBondContact O-N 3.27Å; N68-S72 PolarHBondContact O-OG 3.36Å
69	A	53.9	Low	53.5	Low	50 Å²	50	100.9 Å²	100.9	41%	0.413	61%	0.609	S	S	.	*	H	α-helix	trans	-68.2	-42.6	174.2	0	0	0	0	0	111.4	S66 S72 F73	S66-A69 PolarHBondContact O-N 3.44Å; A69-S72 CarbonylContact O-C 3.6Å; A69-S72 PolarHBondContact O-N 3.14Å; A69-S72 PolarHBondContact O-OG 2.77Å; A69-F73 WeakPolarHBondContact O-CB 3.33Å; A69-F73 PolarHBondContact O-N 2.73Å
70	A	55.5	Low	55.6	Low	45 Å²	45	100.9 Å²	100.9	37%	0.372	60%	0.596	S	S	.	*	H	α-helix	trans	-67	-39	-178.9	0	0	0	0	0	113.3	S66 F73 L74	S66-A70 WeakPolarHBondContact O-CB 3.37Å; S66-A70 PolarHBondContact O-N 2.86Å; A70-F73 PolarHBondContact O-N 2.94Å; A70-L74 WeakPolarHBondContact O-CG 3.3Å; A70-L74 PolarHBondContact O-N 2.77Å
71	Q	56.5	Low	57.8	Low	144 Å²	144	103.7 Å²	103.7	67%	0.673	59%	0.586	S	S	*	*	H	α-helix	trans	-66.8	-39.9	172.2	-81.3	-172	-17.3	0	0	112	A67 F73 L74 A75	A67-Q71 PolarHBondContact O-N 3.28Å; Q71-F73 PolarHBondContact O-N 3.41Å; Q71-L74 PolarHBondContact O-N 3.01Å; Q71-A75 VanDerWaalsContact O-CB 3.26Å; Q71-A75 WeakPolarHBondContact O-CB 3.32Å; Q71-A75 PolarHBondContact O-N 3.35Å
72	S	63.5	Low	60.3	Low	74 Å²	74	102.6 Å²	102.6	52%	0.517	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-32.5	173	77.5	0	0	0	0	112.1	N68 A69 A76	N68-S72 WeakPolarHBondContact O-CB 3.46Å; N68-S72 PolarHBondContact O-N 3.27Å; N68-S72 PolarHBondContact O-OG 3.36Å; A69-S72 CarbonylContact O-C 3.6Å; A69-S72 PolarHBondContact O-N 3.14Å; A69-S72 PolarHBondContact O-OG 2.77Å; S72-A76 WeakPolarHBondContact O-CB 3.39Å; S72-A76 PolarHBondContact O-N 3.04Å
73	F	60.9	Low	62.6	Low	145 Å²	145	103.3 Å²	103.3	64%	0.636	56%	0.564	S	S	*	*	H	α-helix	trans	-74.7	-43.6	179	-153.1	-87.2	0	0	0	111.7	A69 A70 Q71 A76 T77	A69-F73 WeakPolarHBondContact O-CB 3.33Å; A69-F73 PolarHBondContact O-N 2.73Å; A70-F73 PolarHBondContact O-N 2.94Å; Q71-F73 PolarHBondContact O-N 3.41Å; F73-A76 PolarHBondContact O-N 2.97Å; F73-T77 HydrophobicContact CD1-CG2 3.9Å; F73-T77 HydrophobicContact CE1-CG2 3.83Å; F73-T77 WeakPolarHBondContact O-CG2 3.18Å; F73-T77 PolarHBondContact O-N 3.48Å; F73-T77 PolarHBondContact O-OG1 3.45Å
74	L	64.2	Low	64.4	Low	120 Å²	120	102.3 Å²	102.3	63%	0.628	55%	0.55	S	S	*	*	H	α-helix	trans	-65.1	-39.3	173.1	-72.5	174.9	0	0	0	111.9	A70 Q71 A76 T77 E78	A70-L74 WeakPolarHBondContact O-CG 3.3Å; A70-L74 PolarHBondContact O-N 2.77Å; Q71-L74 PolarHBondContact O-N 3.01Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-T77 WeakPolarHBondContact CA-OG1 2.78Å; L74-T77 PolarHBondContact O-OG1 3.5Å; L74-T77 VanDerWaalsContact O-OG1 3.13Å; L74-E78 WeakPolarHBondContact O-CB 3.42Å; L74-E78 PolarHBondContact O-N 2.75Å
75	A	69.7	Low	66.5	Low	65 Å²	65	102.9 Å²	102.9	54%	0.537	54%	0.542	S	S	.	.	H	α-helix	trans	-66.6	-36.7	173.7	0	0	0	0	0	111.8	Q71 K79	Q71-A75 VanDerWaalsContact O-CB 3.26Å; Q71-A75 WeakPolarHBondContact O-CB 3.32Å; Q71-A75 PolarHBondContact O-N 3.35Å; A75-K79 WeakPolarHBondContact O-CB 3.49Å; A75-K79 PolarHBondContact O-N 3.2Å
76	A	73.5	Confident	68.8	Low	53 Å²	53	97 Å²	97	44%	0.438	52%	0.52	S	S	.	.	H	α-helix	trans	-68.1	-45.3	174.8	0	0	0	0	0	112	S72 F73 L74 K79 E80	S72-A76 WeakPolarHBondContact O-CB 3.39Å; S72-A76 PolarHBondContact O-N 3.04Å; F73-A76 PolarHBondContact O-N 2.97Å; L74-A76 VanDerWaalsContact C-N 3.33Å; A76-K79 WeakPolarHBondContact O-CB 2.91Å; A76-K79 PolarHBondContact O-N 3.41Å; A76-E80 VanDerWaalsContact O-CB 3.32Å; A76-E80 WeakPolarHBondContact O-CB 3.42Å; A76-E80 PolarHBondContact O-N 3.37Å
77	T	72.1	Confident	70.5	Confident	50 Å²	50	98.7 Å²	98.7	31%	0.307	52%	0.523	S	S	.	.	H	α-helix	trans	-69.6	-36.2	178.1	51.3	0	0	0	0	112.2	F73 L74 E80 K81	F73-T77 HydrophobicContact CD1-CG2 3.9Å; F73-T77 HydrophobicContact CE1-CG2 3.83Å; F73-T77 WeakPolarHBondContact O-CG2 3.18Å; F73-T77 PolarHBondContact O-N 3.48Å; F73-T77 PolarHBondContact O-OG1 3.45Å; L74-T77 WeakPolarHBondContact CA-OG1 2.78Å; L74-T77 PolarHBondContact O-OG1 3.5Å; L74-T77 VanDerWaalsContact O-OG1 3.13Å; T77-E80 PolarHBondContact O-N 3.43Å; T77-K81 VanDerWaalsContact O-CB 3.26Å; T77-K81 WeakPolarHBondContact O-CB 3.48Å; T77-K81 PolarHBondContact O-N 2.84Å
78	E	76.3	Confident	72.1	Confident	98 Å²	98	99.6 Å²	99.6	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-69.5	-36.1	174.2	-169.1	68.5	-154.6	0	0	111.2	L74 R82	L74-E78 WeakPolarHBondContact O-CB 3.42Å; L74-E78 PolarHBondContact O-N 2.75Å; E78-R82 WeakPolarHBondContact O-CB 3.4Å; E78-R82 PolarHBondContact O-N 2.88Å
79	K	78.9	Confident	73.8	Confident	119 Å²	119	97.4 Å²	97.4	52%	0.517	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-47.4	171.1	-177.7	-175.5	172.7	-166.2	0	111.2	A75 A76 K81 R82 E83	A75-K79 WeakPolarHBondContact O-CB 3.49Å; A75-K79 PolarHBondContact O-N 3.2Å; A76-K79 WeakPolarHBondContact O-CB 2.91Å; A76-K79 PolarHBondContact O-N 3.41Å; K79-K81 PolarHBondContact O-N 3.24Å; K79-R82 PolarHBondContact O-N 3.42Å; K79-E83 WeakPolarHBondContact CE-OE1 3.38Å; K79-E83 WeakPolarHBondContact O-CG 3.06Å; K79-E83 PolarHBondContact O-N 3.33Å
80	E	78.3	Confident	75.5	Confident	119 Å²	119	102.1 Å²	102.1	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-62	-41.7	177.6	-172.3	-179.5	-164.4	0	0	111.6	A76 T77 R82 E83 M84	A76-E80 VanDerWaalsContact O-CB 3.32Å; A76-E80 WeakPolarHBondContact O-CB 3.42Å; A76-E80 PolarHBondContact O-N 3.37Å; T77-E80 PolarHBondContact O-N 3.43Å; E80-R82 VanDerWaalsContact C-N 3.35Å; E80-R82 PolarHBondContact O-N 2.75Å; E80-E83 WeakPolarHBondContact O-CB 3.35Å; E80-E83 PolarHBondContact O-N 2.73Å; E80-M84 WeakPolarHBondContact O-CB 3.49Å; E80-M84 WeakPolarHBondContact O-CG 3.25Å; E80-M84 PolarHBondContact O-N 3.33Å
81	K	79.9	Confident	77	Confident	135 Å²	135	104.7 Å²	104.7	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-63.7	-39.9	175.6	-168.6	-179.7	-179.4	-174	0	112	T77 K79 M84 Q85	T77-K81 VanDerWaalsContact O-CB 3.26Å; T77-K81 WeakPolarHBondContact O-CB 3.48Å; T77-K81 PolarHBondContact O-N 2.84Å; K79-K81 PolarHBondContact O-N 3.24Å; K81-M84 PolarHBondContact O-N 3.46Å; K81-Q85 WeakPolarHBondContact O-CB 3.4Å; K81-Q85 PolarHBondContact O-N 3.02Å
82	R	81.3	Confident	78.4	Confident	144 Å²	144	100.5 Å²	100.5	54%	0.543	51%	0.507	S	S	.	.	H	α-helix	trans	-68.6	-36.7	175.8	-148.9	-178.3	-62.7	104.4	-3.2	111.7	E78 K79 E80 N86	E78-R82 WeakPolarHBondContact O-CB 3.4Å; E78-R82 PolarHBondContact O-N 2.88Å; K79-R82 PolarHBondContact O-N 3.42Å; E80-R82 VanDerWaalsContact C-N 3.35Å; E80-R82 PolarHBondContact O-N 2.75Å; R82-N86 WeakPolarHBondContact O-CB 3.49Å; R82-N86 PolarHBondContact O-N 3.21Å
83	E	81.8	Confident	79.7	Confident	112 Å²	112	102.4 Å²	102.4	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-43.9	171.5	-75.3	175.1	-175.3	0	0	111.4	K79 E80 N86 L87	K79-E83 WeakPolarHBondContact CE-OE1 3.38Å; K79-E83 WeakPolarHBondContact O-CG 3.06Å; K79-E83 PolarHBondContact O-N 3.33Å; E80-E83 WeakPolarHBondContact O-CB 3.35Å; E80-E83 PolarHBondContact O-N 2.73Å; E83-N86 PolarHBondContact O-N 3.27Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 PolarHBondContact O-N 2.89Å
84	M	79.4	Confident	81.3	Confident	96 Å²	96	103.8 Å²	103.8	47%	0.473	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-37.5	175.1	-77.2	-60.8	-64.5	0	0	112.8	E80 K81 L87 N88	E80-M84 WeakPolarHBondContact O-CB 3.49Å; E80-M84 WeakPolarHBondContact O-CG 3.25Å; E80-M84 PolarHBondContact O-N 3.33Å; K81-M84 PolarHBondContact O-N 3.46Å; M84-L87 PolarHBondContact O-N 2.81Å; M84-L87 HydrophobicContact SD-CD2 4.41Å; M84-N88 WeakPolarHBondContact O-CB 3.12Å; M84-N88 PolarHBondContact O-N 3.48Å
85	Q	82.3	Confident	82.6	Confident	117 Å²	117	101.6 Å²	101.6	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-45	175.4	-164.9	170.4	6.1	0	0	110.8	K81 L87 N88 D89	K81-Q85 WeakPolarHBondContact O-CB 3.4Å; K81-Q85 PolarHBondContact O-N 3.02Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.5Å; Q85-N88 PolarHBondContact O-N 2.89Å; Q85-D89 WeakPolarHBondContact O-CB 3.38Å; Q85-D89 VanDerWaalsContact O-CG 3.23Å; Q85-D89 PolarHBondContact O-N 3.14Å
86	N	86.1	Confident	83.7	Confident	82 Å²	82	102.6 Å²	102.6	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-37.3	174.6	-162.9	-11.5	0	0	0	111.9	R82 E83 R90	R82-N86 WeakPolarHBondContact O-CB 3.49Å; R82-N86 PolarHBondContact O-N 3.21Å; E83-N86 PolarHBondContact O-N 3.27Å; N86-R90 VanDerWaalsContact O-CG 3.25Å; N86-R90 WeakPolarHBondContact O-CG 3.28Å; N86-R90 PolarHBondContact O-N 2.85Å; N86-R90 PolarHBondContact OD1-NE 3.31Å
87	L	83.7	Confident	84.6	Confident	103 Å²	103	106.9 Å²	106.9	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-42.8	174.6	-161.2	76.4	0	0	0	111.5	E83 M84 Q85 R90 L91	E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 PolarHBondContact O-N 2.89Å; M84-L87 PolarHBondContact O-N 2.81Å; M84-L87 HydrophobicContact SD-CD2 4.41Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.5Å; L87-R90 PolarHBondContact O-N 3.21Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 2.82Å
88	N	85.8	Confident	85.8	Confident	86 Å²	86	107.9 Å²	107.9	46%	0.46	51%	0.509	S	S	.	.	H	α-helix	trans	-66.1	-39.2	175.9	-81.8	-13	0	0	0	112.3	M84 Q85 R90 L91 S92	M84-N88 WeakPolarHBondContact O-CB 3.12Å; M84-N88 PolarHBondContact O-N 3.48Å; Q85-N88 PolarHBondContact O-N 2.89Å; N88-R90 VanDerWaalsContact C-N 3.34Å; N88-L91 PolarHBondContact O-N 2.88Å; N88-S92 WeakPolarHBondContact O-CB 3.23Å; N88-S92 PolarHBondContact O-N 2.87Å
89	D	86.5	Confident	86.5	Confident	89 Å²	89	109.1 Å²	109.1	48%	0.476	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-40.7	175.5	-69.3	-24.4	0	0	0	110.9	Q85 S92 N93	Q85-D89 WeakPolarHBondContact O-CB 3.38Å; Q85-D89 VanDerWaalsContact O-CG 3.23Å; Q85-D89 PolarHBondContact O-N 3.14Å; D89-S92 PolarHBondContact O-N 3.39Å; D89-N93 WeakPolarHBondContact O-CB 3.33Å; D89-N93 PolarHBondContact O-N 2.78Å; D89-N93 PolarHBondContact O-ND2 3.38Å; D89-N93 VanDerWaalsContact O-ND2 3.17Å
90	R	88.5	Confident	87.3	Confident	149 Å²	149	104.9 Å²	104.9	56%	0.562	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-45.1	172	-71.6	172.5	-171.5	-157	-0.9	111.8	N86 L87 N88 S92 N93 Y94	N86-R90 VanDerWaalsContact O-CG 3.25Å; N86-R90 WeakPolarHBondContact O-CG 3.28Å; N86-R90 PolarHBondContact O-N 2.85Å; N86-R90 PolarHBondContact OD1-NE 3.31Å; L87-R90 PolarHBondContact O-N 3.21Å; N88-R90 VanDerWaalsContact C-N 3.34Å; R90-S92 VanDerWaalsContact C-N 3.33Å; R90-S92 PolarHBondContact O-N 3.34Å; R90-N93 PolarHBondContact O-N 3.48Å; R90-Y94 WeakPolarHBondContact O-CD2 3.28Å; R90-Y94 PolarHBondContact O-N 3.37Å
91	L	87.1	Confident	88.1	Confident	98 Å²	98	102.8 Å²	102.8	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-41.8	177.6	-172.1	71.4	0	0	0	110.9	L87 N88 Y94 I95	L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 2.82Å; N88-L91 PolarHBondContact O-N 2.88Å; L91-Y94 WeakPolarHBondContact O-CB 3.16Å; L91-Y94 PolarHBondContact O-N 3.03Å; L91-I95 HydrophobicContact CD2-CD1 4.48Å; L91-I95 HydrophobicContact CG-CD1 4.06Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 3.28Å
92	S	85.9	Confident	88.8	Confident	57 Å²	57	100.8 Å²	100.8	40%	0.399	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.5	-162.5	0	0	0	0	111.2	N88 D89 R90 Y94 I95 D96	N88-S92 WeakPolarHBondContact O-CB 3.23Å; N88-S92 PolarHBondContact O-N 2.87Å; D89-S92 PolarHBondContact O-N 3.39Å; R90-S92 VanDerWaalsContact C-N 3.33Å; R90-S92 PolarHBondContact O-N 3.34Å; S92-Y94 VanDerWaalsContact C-N 3.3Å; S92-Y94 PolarHBondContact O-N 2.84Å; S92-I95 PolarHBondContact O-N 2.93Å; S92-I95 VanDerWaalsContact O-N 3.14Å; S92-D96 PolarHBondContact O-N 3.45Å
93	N	92.1	Very high	89.4	Confident	114 Å²	114	97.4 Å²	97.4	61%	0.61	49%	0.487	S	S	*	.	H	α-helix	trans	-60.5	-38.8	174.4	-74.1	-34.2	0	0	0	112.4	D89 R90 R97	D89-N93 WeakPolarHBondContact O-CB 3.33Å; D89-N93 PolarHBondContact O-N 2.78Å; D89-N93 PolarHBondContact O-ND2 3.38Å; D89-N93 VanDerWaalsContact O-ND2 3.17Å; R90-N93 PolarHBondContact O-N 3.48Å; N93-R97 WeakPolarHBondContact O-CB 3.05Å; N93-R97 PolarHBondContact O-N 3.03Å
94	Y	93.2	Very high	90	Very high	173 Å²	173	97.2 Å²	97.2	68%	0.678	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-42.6	173.3	-93	-69.7	0	0	0	112.2	R90 L91 S92 R97 V98	R90-Y94 WeakPolarHBondContact O-CD2 3.28Å; R90-Y94 PolarHBondContact O-N 3.37Å; L91-Y94 WeakPolarHBondContact O-CB 3.16Å; L91-Y94 PolarHBondContact O-N 3.03Å; S92-Y94 VanDerWaalsContact C-N 3.3Å; S92-Y94 PolarHBondContact O-N 2.84Å; Y94-R97 PolarHBondContact O-N 3.34Å; Y94-V98 VanDerWaalsContact O-CG2 3.29Å; Y94-V98 WeakPolarHBondContact O-CG2 3.3Å; Y94-V98 PolarHBondContact O-N 3.38Å
95	I	92.4	Very high	90.8	Very high	74 Å²	74	97.5 Å²	97.5	38%	0.379	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-44.5	177.3	-72.2	167.5	0	0	0	110.5	L91 S92 R97 V98 K99	L91-I95 HydrophobicContact CD2-CD1 4.48Å; L91-I95 HydrophobicContact CG-CD1 4.06Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 3.28Å; S92-I95 PolarHBondContact O-N 2.93Å; S92-I95 VanDerWaalsContact O-N 3.14Å; I95-R97 VanDerWaalsContact C-N 3.31Å; I95-R97 PolarHBondContact O-N 3.44Å; I95-V98 PolarHBondContact O-N 2.79Å; I95-K99 HydrophobicContact CG2-CD 4.12Å; I95-K99 HydrophobicContact CG2-CG 4.41Å; I95-K99 WeakPolarHBondContact O-CB 3.18Å; I95-K99 WeakPolarHBondContact O-CG 3.38Å; I95-K99 PolarHBondContact O-N 3.37Å
96	D	92.7	Very high	91.4	Very high	86 Å²	86	100.4 Å²	100.4	46%	0.46	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-35.9	178.1	-69.1	-26.5	0	0	0	111.4	S92 G100	S92-D96 PolarHBondContact O-N 3.45Å; D96-G100 PolarHBondContact O-N 2.83Å
97	R	93.2	Very high	91.9	Very high	144 Å²	144	103.4 Å²	103.4	54%	0.543	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-43.4	171.9	-175.2	57.5	174.9	152.7	0.6	112.1	N93 Y94 I95 G100 L101	N93-R97 WeakPolarHBondContact O-CB 3.05Å; N93-R97 PolarHBondContact O-N 3.03Å; Y94-R97 PolarHBondContact O-N 3.34Å; I95-R97 VanDerWaalsContact C-N 3.31Å; I95-R97 PolarHBondContact O-N 3.44Å; R97-G100 PolarHBondContact O-N 2.91Å; R97-L101 HydrophobicContact CG-CD1 4.17Å; R97-L101 WeakPolarHBondContact O-CB 3.22Å; R97-L101 VanDerWaalsContact O-CG 3.3Å; R97-L101 WeakPolarHBondContact O-CG 3.45Å; R97-L101 PolarHBondContact O-N 3.05Å
98	V	95.5	Very high	92.4	Very high	70 Å²	70	103.1 Å²	103.1	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-46.7	176.5	169.8	0	0	0	0	110.6	Y94 I95 G100 L101 E102	Y94-V98 VanDerWaalsContact O-CG2 3.29Å; Y94-V98 WeakPolarHBondContact O-CG2 3.3Å; Y94-V98 PolarHBondContact O-N 3.38Å; I95-V98 PolarHBondContact O-N 2.79Å; V98-G100 VanDerWaalsContact C-N 3.29Å; V98-G100 PolarHBondContact O-N 2.89Å; V98-L101 CarbonylContact O-C 3.54Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-L101 VanDerWaalsContact O-N 3.13Å; V98-E102 HydrophobicContact CG1-CG 4.21Å; V98-E102 WeakPolarHBondContact O-CB 3.41Å; V98-E102 WeakPolarHBondContact O-CG 3.35Å; V98-E102 PolarHBondContact O-N 3.47Å
99	K	92.7	Very high	92.9	Very high	124 Å²	124	103.5 Å²	103.5	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-58.1	-42.3	174.6	-75	175.6	-179.1	170.4	0	112	I95 E102 S103	I95-K99 HydrophobicContact CG2-CD 4.12Å; I95-K99 HydrophobicContact CG2-CG 4.41Å; I95-K99 WeakPolarHBondContact O-CB 3.18Å; I95-K99 WeakPolarHBondContact O-CG 3.38Å; I95-K99 PolarHBondContact O-N 3.37Å; K99-E102 PolarHBondContact O-N 3.15Å; K99-S103 WeakPolarHBondContact O-CB 3.42Å; K99-S103 PolarHBondContact O-N 3.33Å
100	G	94.5	Very high	93.3	Very high	31 Å²	31	100.7 Å²	100.7	32%	0.32	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-44.7	174.6	0	0	0	0	0	112.3	D96 R97 V98 S103 Q104	D96-G100 PolarHBondContact O-N 2.83Å; R97-G100 PolarHBondContact O-N 2.91Å; V98-G100 VanDerWaalsContact C-N 3.29Å; V98-G100 PolarHBondContact O-N 2.89Å; G100-S103 PolarHBondContact O-N 2.88Å; G100-Q104 WeakPolarHBondContact O-CG 3.14Å; G100-Q104 PolarHBondContact O-N 3.2Å
101	L	94.8	Very high	93.6	Very high	74 Å²	74	97 Å²	97	39%	0.387	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-39.4	176	-74.3	170.4	0	0	0	112.3	R97 V98 Q104 N105	R97-L101 HydrophobicContact CG-CD1 4.17Å; R97-L101 WeakPolarHBondContact O-CB 3.22Å; R97-L101 VanDerWaalsContact O-CG 3.3Å; R97-L101 WeakPolarHBondContact O-CG 3.45Å; R97-L101 PolarHBondContact O-N 3.05Å; V98-L101 CarbonylContact O-C 3.54Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-L101 VanDerWaalsContact O-N 3.13Å; L101-Q104 PolarHBondContact O-N 3.08Å; L101-N105 WeakPolarHBondContact O-CB 3.21Å; L101-N105 PolarHBondContact O-N 3.49Å
102	E	94.8	Very high	93.9	Very high	93 Å²	93	97.3 Å²	97.3	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-41.4	175.2	-76.5	-178.3	179.4	0	0	111.7	V98 K99 N105 R106	V98-E102 HydrophobicContact CG1-CG 4.21Å; V98-E102 WeakPolarHBondContact O-CB 3.41Å; V98-E102 WeakPolarHBondContact O-CG 3.35Å; V98-E102 PolarHBondContact O-N 3.47Å; K99-E102 PolarHBondContact O-N 3.15Å; E102-N105 PolarHBondContact O-N 2.82Å; E102-R106 WeakPolarHBondContact O-CG 3.38Å; E102-R106 PolarHBondContact O-N 3.19Å; E102-R106 IonicContact OE2-NH2 3.7Å
103	S	94	Very high	94.2	Very high	74 Å²	74	100.4 Å²	100.4	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-44.2	174.1	178.2	0	0	0	0	111.2	K99 G100 R106 K107	K99-S103 WeakPolarHBondContact O-CB 3.42Å; K99-S103 PolarHBondContact O-N 3.33Å; G100-S103 PolarHBondContact O-N 2.88Å; S103-R106 PolarHBondContact O-N 3.08Å; S103-K107 PolarHBondContact O-N 3.24Å
104	Q	95.5	Very high	94.1	Very high	107 Å²	107	99.7 Å²	99.7	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-42.4	174.1	-75.8	-179.9	-17.3	0	0	112.2	G100 L101 R106 K107 L108	G100-Q104 WeakPolarHBondContact O-CG 3.14Å; G100-Q104 PolarHBondContact O-N 3.2Å; L101-Q104 PolarHBondContact O-N 3.08Å; Q104-R106 PolarHBondContact O-N 2.87Å; Q104-K107 WeakPolarHBondContact O-CB 3.38Å; Q104-K107 PolarHBondContact O-N 2.9Å; Q104-L108 WeakPolarHBondContact O-CG 3.4Å; Q104-L108 PolarHBondContact O-N 3.21Å
105	N	94.5	Very high	93.9	Very high	103 Å²	103	96.7 Å²	96.7	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-43.3	176.6	-107.8	-12	0	0	0	111.6	L101 E102 K107 L108 V109	L101-N105 WeakPolarHBondContact O-CB 3.21Å; L101-N105 PolarHBondContact O-N 3.49Å; E102-N105 PolarHBondContact O-N 2.82Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 3.39Å; N105-L108 PolarHBondContact O-N 2.96Å; N105-V109 WeakPolarHBondContact O-CB 3.17Å; N105-V109 WeakPolarHBondContact O-CG2 3.38Å; N105-V109 PolarHBondContact O-N 2.83Å
106	R	95.7	Very high	93.7	Very high	177 Å²	177	101.8 Å²	101.8	67%	0.668	51%	0.507	S	S	*	.	H	α-helix	trans	-59.6	-41.1	174.5	-74.1	-179.8	-138	166.9	5.1	111.7	E102 S103 Q104 V109 G110	E102-R106 WeakPolarHBondContact O-CG 3.38Å; E102-R106 PolarHBondContact O-N 3.19Å; E102-R106 IonicContact OE2-NH2 3.7Å; S103-R106 PolarHBondContact O-N 3.08Å; Q104-R106 PolarHBondContact O-N 2.87Å; R106-V109 PolarHBondContact O-N 2.84Å; R106-G110 PolarHBondContact O-N 3.44Å
107	K	96.5	Very high	93.4	Very high	146 Å²	146	101.5 Å²	101.5	64%	0.635	51%	0.512	S	S	*	.	H	α-helix	trans	-64.5	-48.4	176.8	-166.4	-179.4	-179.9	-172.4	0	111.7	S103 Q104 N105 V109 G110 D111	S103-K107 PolarHBondContact O-N 3.24Å; Q104-K107 WeakPolarHBondContact O-CB 3.38Å; Q104-K107 PolarHBondContact O-N 2.9Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 3.39Å; K107-V109 VanDerWaalsContact C-N 3.3Å; K107-V109 PolarHBondContact O-N 3.46Å; K107-G110 PolarHBondContact O-N 2.9Å; K107-G110 VanDerWaalsContact O-N 3.12Å; K107-D111 VanDerWaalsContact O-CG 3.29Å; K107-D111 PolarHBondContact O-N 3.42Å
108	L	95.1	Very high	93.2	Very high	97 Å²	97	102 Å²	102	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-37.5	177.6	-73	171	0	0	0	112.5	Q104 N105 D111 L112	Q104-L108 WeakPolarHBondContact O-CG 3.4Å; Q104-L108 PolarHBondContact O-N 3.21Å; N105-L108 PolarHBondContact O-N 2.96Å; L108-D111 PolarHBondContact O-N 3.49Å; L108-L112 WeakPolarHBondContact O-CB 3.44Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.26Å; L108-L112 PolarHBondContact O-N 3.42Å
109	V	95.3	Very high	92.6	Very high	93 Å²	93	109 Å²	109	56%	0.564	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-42.3	174.3	169.2	0	0	0	0	110.8	N105 R106 K107 L112 E113	N105-V109 WeakPolarHBondContact O-CB 3.17Å; N105-V109 WeakPolarHBondContact O-CG2 3.38Å; N105-V109 PolarHBondContact O-N 2.83Å; R106-V109 PolarHBondContact O-N 2.84Å; K107-V109 VanDerWaalsContact C-N 3.3Å; K107-V109 PolarHBondContact O-N 3.46Å; V109-L112 PolarHBondContact O-N 3.47Å; V109-E113 PolarHBondContact O-N 2.91Å
110	G	95	Very high	92.1	Very high	31 Å²	31	104.8 Å²	104.8	32%	0.32	53%	0.525	S	S	.	.	H	α-helix	trans	-60.3	-48.7	172.9	0	0	0	0	0	112.5	R106 K107 L112 E113 D114	R106-G110 PolarHBondContact O-N 3.44Å; K107-G110 PolarHBondContact O-N 2.9Å; K107-G110 VanDerWaalsContact O-N 3.12Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 2.82Å; G110-E113 PolarHBondContact O-N 2.87Å; G110-E113 VanDerWaalsContact O-N 3.16Å; G110-D114 PolarHBondContact O-N 3.14Å
111	D	94.6	Very high	91.7	Very high	72 Å²	72	109.6 Å²	109.6	39%	0.385	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-37.3	178.7	-64.8	-20.5	0	0	0	111.8	K107 L108 L115	K107-D111 VanDerWaalsContact O-CG 3.29Å; K107-D111 PolarHBondContact O-N 3.42Å; L108-D111 PolarHBondContact O-N 3.49Å; D111-L115 WeakPolarHBondContact O-CB 3.18Å; D111-L115 WeakPolarHBondContact O-CG 3.34Å; D111-L115 PolarHBondContact O-N 3.01Å
112	L	92.9	Very high	91.3	Very high	103 Å²	103	109.9 Å²	109.9	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-68.7	-38.8	175.4	-79.2	173.6	0	0	0	112.8	L108 V109 G110 R116	L108-L112 WeakPolarHBondContact O-CB 3.44Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.26Å; L108-L112 PolarHBondContact O-N 3.42Å; V109-L112 PolarHBondContact O-N 3.47Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 2.82Å; L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 WeakPolarHBondContact O-CG 3.47Å; L112-R116 PolarHBondContact O-N 3.43Å
113	E	92.6	Very high	90.9	Very high	123 Å²	123	109.7 Å²	109.7	58%	0.575	54%	0.544	S	S	*	.	H	α-helix	trans	-66.7	-43.7	176.4	-172.5	58.7	-153.2	0	0	110.8	V109 G110 L115 R116 S117	V109-E113 PolarHBondContact O-N 2.91Å; G110-E113 PolarHBondContact O-N 2.87Å; G110-E113 VanDerWaalsContact O-N 3.16Å; E113-L115 PolarHBondContact O-N 2.77Å; E113-R116 PolarHBondContact O-N 2.94Å; E113-S117 WeakPolarHBondContact O-CB 3.38Å; E113-S117 PolarHBondContact O-N 2.9Å
114	D	90.9	Very high	90.6	Very high	98 Å²	98	108.7 Å²	108.7	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-43.8	175.1	-78.9	-14.8	0	0	0	112	G110 S117 R118	G110-D114 PolarHBondContact O-N 3.14Å; D114-S117 PolarHBondContact O-N 3.35Å; D114-R118 VanDerWaalsContact O-CG 3.3Å; D114-R118 WeakPolarHBondContact O-CG 3.42Å; D114-R118 PolarHBondContact O-N 3.45Å; D114-R118 VanDerWaalsContact O-N 3.11Å
115	L	89.3	Confident	90.3	Very high	110 Å²	110	107 Å²	107	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-63.1	-44.4	174.7	-80.7	168.1	0	0	0	111.6	D111 E113 S117 R118 W119	D111-L115 WeakPolarHBondContact O-CB 3.18Å; D111-L115 WeakPolarHBondContact O-CG 3.34Å; D111-L115 PolarHBondContact O-N 3.01Å; E113-L115 PolarHBondContact O-N 2.77Å; L115-S117 PolarHBondContact O-N 2.88Å; L115-R118 PolarHBondContact O-N 2.82Å; L115-W119 WeakPolarHBondContact O-CB 3.35Å; L115-W119 PolarHBondContact O-N 3.28Å
116	R	88.1	Confident	90	Very high	181 Å²	181	106.5 Å²	106.5	68%	0.683	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-39.3	178.1	-82.2	178.5	171.8	-108.5	-0.4	112.5	L112 E113 R118 W119	L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 WeakPolarHBondContact O-CG 3.47Å; L112-R116 PolarHBondContact O-N 3.43Å; E113-R116 PolarHBondContact O-N 2.94Å; R116-R118 VanDerWaalsContact C-N 3.34Å; R116-W119 PolarHBondContact O-N 3.46Å
117	S	86.5	Confident	89.9	Confident	81 Å²	81	105.1 Å²	105.1	57%	0.566	53%	0.527	S	S	*	.	H	α-helix	trans	-65.9	-36.3	177.4	-177.7	0	0	0	0	112.3	E113 D114 L115	E113-S117 WeakPolarHBondContact O-CB 3.38Å; E113-S117 PolarHBondContact O-N 2.9Å; D114-S117 PolarHBondContact O-N 3.35Å; L115-S117 PolarHBondContact O-N 2.88Å
118	R	87.7	Confident	89.7	Confident	154 Å²	154	102.4 Å²	102.4	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-80	-31.9	176.2	-68.3	170.5	-176.5	-108	3.4	112.9	D114 L115 R116 G120 K121 D122	D114-R118 VanDerWaalsContact O-CG 3.3Å; D114-R118 WeakPolarHBondContact O-CG 3.42Å; D114-R118 PolarHBondContact O-N 3.45Å; D114-R118 VanDerWaalsContact O-N 3.11Å; L115-R118 PolarHBondContact O-N 2.82Å; R116-R118 VanDerWaalsContact C-N 3.34Å; R118-G120 PolarHBondContact O-N 3.47Å; R118-K121 PolarHBondContact O-N 2.88Å; R118-K121 VanDerWaalsContact O-N 3.16Å; R118-D122 PolarHBondContact O-N 3.48Å; R118-D122 VanDerWaalsContact O-N 3.07Å
119	W	84.3	Confident	89.5	Confident	218 Å²	218	104.6 Å²	104.6	83%	0.826	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	121.9	-179.3	-162.2	2.5	0	0	0	110	L115 R116 K121	L115-W119 WeakPolarHBondContact O-CB 3.35Å; L115-W119 PolarHBondContact O-N 3.28Å; R116-W119 PolarHBondContact O-N 3.46Å; W119-K121 VanDerWaalsContact C-N 3.31Å; W119-K121 PolarHBondContact O-N 3.05Å
120	G	81.6	Confident	89.4	Confident	35 Å²	35	108 Å²	108	36%	0.361	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-45.7	-174	0	0	0	0	0	112	R118 T123 S124	R118-G120 PolarHBondContact O-N 3.47Å; G120-T123 VanDerWaalsContact C-OG1 3.26Å; G120-T123 WeakPolarHBondContact CA-OG1 3.36Å; G120-T123 PolarHBondContact O-N 3.27Å; G120-T123 PolarHBondContact O-OG1 3.42Å; G120-S124 WeakPolarHBondContact O-CB 3.42Å; G120-S124 PolarHBondContact O-N 2.93Å
121	K	86.3	Confident	89.4	Confident	131 Å²	131	109.1 Å²	109.1	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-53	177.9	-170	171.8	-177.1	174.7	0	111.6	R118 W119 T123 S124 D125	R118-K121 PolarHBondContact O-N 2.88Å; R118-K121 VanDerWaalsContact O-N 3.16Å; W119-K121 VanDerWaalsContact C-N 3.31Å; W119-K121 PolarHBondContact O-N 3.05Å; K121-T123 PolarHBondContact O-N 2.64Å; K121-S124 PolarHBondContact O-N 3.45Å; K121-D125 WeakPolarHBondContact O-CB 3.44Å; K121-D125 VanDerWaalsContact O-CG 3.24Å; K121-D125 PolarHBondContact O-N 3.49Å
122	D	85.7	Confident	89.4	Confident	81 Å²	81	110.1 Å²	110.1	43%	0.433	54%	0.537	S	S	.	.	H	α-helix	trans	-59.8	-37.2	178.5	-70.3	-9	0	0	0	111.4	R118 I126	R118-D122 PolarHBondContact O-N 3.48Å; R118-D122 VanDerWaalsContact O-N 3.07Å; D122-I126 WeakPolarHBondContact O-CB 3.31Å; D122-I126 WeakPolarHBondContact O-CD1 3.32Å; D122-I126 WeakPolarHBondContact O-CG1 3.18Å; D122-I126 PolarHBondContact O-N 2.87Å
123	T	87.4	Confident	89.5	Confident	88 Å²	88	109.8 Å²	109.8	54%	0.54	54%	0.536	S	S	.	.	H	α-helix	trans	-72.4	-33.8	177	50.9	0	0	0	0	113.4	G120 K121 K127	G120-T123 VanDerWaalsContact C-OG1 3.26Å; G120-T123 WeakPolarHBondContact CA-OG1 3.36Å; G120-T123 PolarHBondContact O-N 3.27Å; G120-T123 PolarHBondContact O-OG1 3.42Å; K121-T123 PolarHBondContact O-N 2.64Å; T123-K127 VanDerWaalsContact O-CB 3.31Å; T123-K127 WeakPolarHBondContact O-CB 3.35Å; T123-K127 PolarHBondContact O-N 2.93Å; T123-K127 VanDerWaalsContact O-N 3.07Å
124	S	88	Confident	89.6	Confident	54 Å²	54	108.3 Å²	108.3	38%	0.378	53%	0.531	S	S	.	.	H	α-helix	trans	-69.6	-49.1	174.4	-164.8	0	0	0	0	109.8	G120 K121 I126 K127 D128	G120-S124 WeakPolarHBondContact O-CB 3.42Å; G120-S124 PolarHBondContact O-N 2.93Å; K121-S124 PolarHBondContact O-N 3.45Å; S124-I126 VanDerWaalsContact C-N 3.26Å; S124-I126 PolarHBondContact O-N 3.32Å; S124-K127 CarbonylContact O-C 3.56Å; S124-K127 WeakPolarHBondContact O-CA 3.38Å; S124-K127 WeakPolarHBondContact O-CB 3.49Å; S124-K127 PolarHBondContact O-N 2.98Å; S124-D128 WeakPolarHBondContact O-CB 3.37Å; S124-D128 PolarHBondContact O-N 3.35Å; S124-D128 PolarHBondContact OG-OD2 3.13Å
125	D	88.6	Confident	89.8	Confident	70 Å²	70	105.7 Å²	105.7	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-57.5	-40.7	179.4	-68.2	-8.2	0	0	0	111.3	K121 K129	K121-D125 WeakPolarHBondContact O-CB 3.44Å; K121-D125 VanDerWaalsContact O-CG 3.24Å; K121-D125 PolarHBondContact O-N 3.49Å; D125-K129 WeakPolarHBondContact O-CB 3.27Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.21Å; D125-K129 PolarHBondContact O-N 2.84Å; D125-K129 VanDerWaalsContact O-N 3.09Å
126	I	89	Confident	90.1	Very high	93 Å²	93	103.3 Å²	103.3	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-45.3	174.1	-71.4	167.5	0	0	0	111.4	D122 S124 D128 K129 Y130	D122-I126 WeakPolarHBondContact O-CB 3.31Å; D122-I126 WeakPolarHBondContact O-CD1 3.32Å; D122-I126 WeakPolarHBondContact O-CG1 3.18Å; D122-I126 PolarHBondContact O-N 2.87Å; S124-I126 VanDerWaalsContact C-N 3.26Å; S124-I126 PolarHBondContact O-N 3.32Å; I126-D128 VanDerWaalsContact C-N 3.32Å; I126-D128 PolarHBondContact O-N 2.97Å; I126-K129 PolarHBondContact O-N 3.34Å; I126-Y130 HydrophobicContact CG2-CD2 3.53Å; I126-Y130 HydrophobicContact CG2-CE2 3.47Å; I126-Y130 VanDerWaalsContact CG2-CE2 3.47Å; I126-Y130 WeakPolarHBondContact O-CD2 3.27Å; I126-Y130 PolarHBondContact O-N 3.46Å
127	K	92.5	Very high	90.5	Very high	148 Å²	148	96.9 Å²	96.9	64%	0.643	49%	0.494	S	S	*	.	H	α-helix	trans	-62.8	-40.8	179.4	-177.2	-172.2	173.3	-162.4	0	111.4	T123 S124 Y130 A131	T123-K127 VanDerWaalsContact O-CB 3.31Å; T123-K127 WeakPolarHBondContact O-CB 3.35Å; T123-K127 PolarHBondContact O-N 2.93Å; T123-K127 VanDerWaalsContact O-N 3.07Å; S124-K127 CarbonylContact O-C 3.56Å; S124-K127 WeakPolarHBondContact O-CA 3.38Å; S124-K127 WeakPolarHBondContact O-CB 3.49Å; S124-K127 PolarHBondContact O-N 2.98Å; K127-Y130 PolarHBondContact O-N 3.39Å; K127-A131 WeakPolarHBondContact O-CB 2.97Å; K127-A131 PolarHBondContact O-N 2.87Å
128	D	92.5	Very high	91	Very high	89 Å²	89	98.9 Å²	98.9	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-41.6	-179.7	-64.9	-26.1	0	0	0	110.6	S124 I126 A131 E132	S124-D128 WeakPolarHBondContact O-CB 3.37Å; S124-D128 PolarHBondContact O-N 3.35Å; S124-D128 PolarHBondContact OG-OD2 3.13Å; I126-D128 VanDerWaalsContact C-N 3.32Å; I126-D128 PolarHBondContact O-N 2.97Å; D128-A131 PolarHBondContact O-N 2.94Å; D128-E132 WeakPolarHBondContact O-CB 3.46Å; D128-E132 PolarHBondContact O-N 3.44Å
129	K	91.5	Very high	91.5	Very high	144 Å²	144	98.3 Å²	98.3	63%	0.626	49%	0.487	S	S	*	.	H	α-helix	trans	-59	-51.1	171.6	-74	173.9	-176.7	-176.3	0	112.4	D125 I126 A131 E132 D133	D125-K129 WeakPolarHBondContact O-CB 3.27Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.21Å; D125-K129 PolarHBondContact O-N 2.84Å; D125-K129 VanDerWaalsContact O-N 3.09Å; I126-K129 PolarHBondContact O-N 3.34Å; K129-A131 VanDerWaalsContact C-N 3.31Å; K129-A131 PolarHBondContact O-N 3.18Å; K129-E132 PolarHBondContact O-N 3Å; K129-D133 PolarHBondContact O-N 3.32Å
130	Y	92.9	Very high	92.1	Very high	164 Å²	164	91.6 Å²	91.6	64%	0.643	47%	0.47	S	S	*	.	H	α-helix	trans	-68.1	-29.5	179.1	-77.6	-62.1	0	0	0	113.3	I126 K127 L134	I126-Y130 HydrophobicContact CG2-CD2 3.53Å; I126-Y130 HydrophobicContact CG2-CE2 3.47Å; I126-Y130 VanDerWaalsContact CG2-CE2 3.47Å; I126-Y130 WeakPolarHBondContact O-CD2 3.27Å; I126-Y130 PolarHBondContact O-N 3.46Å; K127-Y130 PolarHBondContact O-N 3.39Å; Y130-L134 WeakPolarHBondContact O-CB 3.45Å; Y130-L134 PolarHBondContact O-N 3.46Å
131	A	94.8	Very high	92.8	Very high	54 Å²	54	95.1 Å²	95.1	45%	0.446	48%	0.48	S	S	.	.	H	α-helix	trans	-67.6	-41.9	174	0	0	0	0	0	111.1	K127 D128 K129 L134 S135	K127-A131 WeakPolarHBondContact O-CB 2.97Å; K127-A131 PolarHBondContact O-N 2.87Å; D128-A131 PolarHBondContact O-N 2.94Å; K129-A131 VanDerWaalsContact C-N 3.31Å; K129-A131 PolarHBondContact O-N 3.18Å; A131-L134 PolarHBondContact O-N 2.87Å; A131-S135 WeakPolarHBondContact O-CB 3.48Å; A131-S135 PolarHBondContact O-N 3.26Å
132	E	94	Very high	93.4	Very high	94 Å²	94	93.4 Å²	93.4	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-65	-46	174.5	-177.6	55.5	-155.3	0	0	111.5	D128 K129 L134 S135 N136	D128-E132 WeakPolarHBondContact O-CB 3.46Å; D128-E132 PolarHBondContact O-N 3.44Å; K129-E132 PolarHBondContact O-N 3Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.49Å; E132-S135 WeakPolarHBondContact O-CB 3.14Å; E132-S135 PolarHBondContact O-N 2.87Å; E132-S135 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-N 3.1Å; E132-N136 PolarHBondContact O-ND2 2.84Å; E132-N136 PolarHBondContact OE1-ND2 3.34Å; E132-N136 PolarHBondContact OE1-OD1 2.72Å
133	D	94.8	Very high	93.9	Very high	95 Å²	95	93.3 Å²	93.3	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-40.8	175.8	-69.9	-21.9	0	0	0	112	K129 S135 N136 A137	K129-D133 PolarHBondContact O-N 3.32Å; D133-S135 VanDerWaalsContact C-N 3.35Å; D133-N136 PolarHBondContact O-N 3.02Å; D133-A137 VanDerWaalsContact O-CB 3.3Å; D133-A137 WeakPolarHBondContact O-CB 3.2Å; D133-A137 PolarHBondContact O-N 3.39Å
134	L	95.5	Very high	94.3	Very high	93 Å²	93	95.1 Å²	95.1	49%	0.487	48%	0.48	S	S	.	.	H	α-helix	trans	-67.2	-36.4	176.2	-174.6	66.4	0	0	0	112	Y130 A131 E132 R138	Y130-L134 WeakPolarHBondContact O-CB 3.45Å; Y130-L134 PolarHBondContact O-N 3.46Å; A131-L134 PolarHBondContact O-N 2.87Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.49Å; L134-R138 VanDerWaalsContact O-CG 3.31Å; L134-R138 WeakPolarHBondContact O-CG 3.41Å; L134-R138 PolarHBondContact O-N 2.87Å; L134-R138 VanDerWaalsContact O-N 3.08Å
135	S	95.8	Very high	94.7	Very high	42 Å²	42	95.2 Å²	95.2	29%	0.294	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-47.9	174	-176.4	0	0	0	0	110.6	A131 E132 D133 R138 R139	A131-S135 WeakPolarHBondContact O-CB 3.48Å; A131-S135 PolarHBondContact O-N 3.26Å; E132-S135 WeakPolarHBondContact O-CB 3.14Å; E132-S135 PolarHBondContact O-N 2.87Å; E132-S135 VanDerWaalsContact O-N 3.13Å; D133-S135 VanDerWaalsContact C-N 3.35Å; S135-R138 PolarHBondContact O-N 3.49Å; S135-R139 WeakPolarHBondContact O-CG 3.22Å; S135-R139 PolarHBondContact O-N 3.04Å
136	N	95.8	Very high	95.2	Very high	61 Å²	61	100.2 Å²	100.2	33%	0.326	50%	0.498	S	S	.	.	H	α-helix	trans	-65.1	-41.4	178.4	-69.9	-31.3	0	0	0	112	E132 D133 R138 R139 T140	E132-N136 PolarHBondContact O-N 3.1Å; E132-N136 PolarHBondContact O-ND2 2.84Å; E132-N136 PolarHBondContact OE1-ND2 3.34Å; E132-N136 PolarHBondContact OE1-OD1 2.72Å; D133-N136 PolarHBondContact O-N 3.02Å; N136-R138 VanDerWaalsContact C-N 3.29Å; N136-R138 PolarHBondContact O-N 3.13Å; N136-R139 PolarHBondContact O-N 3.34Å; N136-R139 PolarHBondContact OD1-NH1 3.26Å; N136-T140 WeakPolarHBondContact O-CG2 3.12Å; N136-T140 PolarHBondContact O-N 3.05Å; N136-T140 PolarHBondContact O-OG1 3.38Å
137	A	96.2	Very high	95.6	Very high	46 Å²	46	101.4 Å²	101.4	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-32.5	174.3	0	0	0	0	0	113.2	D133 T140 I141	D133-A137 VanDerWaalsContact O-CB 3.3Å; D133-A137 WeakPolarHBondContact O-CB 3.2Å; D133-A137 PolarHBondContact O-N 3.39Å; A137-T140 WeakPolarHBondContact CA-OG1 3.29Å; A137-T140 PolarHBondContact O-OG1 3.43Å; A137-I141 WeakPolarHBondContact O-CD1 3.5Å; A137-I141 VanDerWaalsContact O-CG1 3.25Å; A137-I141 WeakPolarHBondContact O-CG1 3.36Å; A137-I141 PolarHBondContact O-N 2.87Å
138	R	96.6	Very high	95.8	Very high	122 Å²	122	100.4 Å²	100.4	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-71.8	-43.6	173.9	-75.3	176.4	-174.2	173.5	9.4	111.8	L134 S135 N136 T140 I141 D142	L134-R138 VanDerWaalsContact O-CG 3.31Å; L134-R138 WeakPolarHBondContact O-CG 3.41Å; L134-R138 PolarHBondContact O-N 2.87Å; L134-R138 VanDerWaalsContact O-N 3.08Å; S135-R138 PolarHBondContact O-N 3.49Å; N136-R138 VanDerWaalsContact C-N 3.29Å; N136-R138 PolarHBondContact O-N 3.13Å; R138-T140 VanDerWaalsContact C-N 3.31Å; R138-T140 PolarHBondContact O-N 2.88Å; R138-I141 PolarHBondContact O-N 3.43Å; R138-D142 PolarHBondContact O-N 2.85Å
139	R	97.2	Very high	96	Very high	143 Å²	143	99 Å²	99	54%	0.54	49%	0.494	S	S	.	.	H	α-helix	trans	-56.6	-46.1	175.1	-71.4	174.4	178.8	163.1	-3.4	111.1	S135 N136 I141 D142 D143	S135-R139 WeakPolarHBondContact O-CG 3.22Å; S135-R139 PolarHBondContact O-N 3.04Å; N136-R139 PolarHBondContact O-N 3.34Å; N136-R139 PolarHBondContact OD1-NH1 3.26Å; R139-I141 PolarHBondContact O-N 3.39Å; R139-D142 PolarHBondContact O-N 2.97Å; R139-D143 WeakPolarHBondContact O-CB 3.38Å; R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.49Å
140	T	96.9	Very high	96.3	Very high	77 Å²	77	97.7 Å²	97.7	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-64.5	-38.6	177.9	57.3	0	0	0	0	112.8	N136 A137 R138 D143 M144	N136-T140 WeakPolarHBondContact O-CG2 3.12Å; N136-T140 PolarHBondContact O-N 3.05Å; N136-T140 PolarHBondContact O-OG1 3.38Å; A137-T140 WeakPolarHBondContact CA-OG1 3.29Å; A137-T140 PolarHBondContact O-OG1 3.43Å; R138-T140 VanDerWaalsContact C-N 3.31Å; R138-T140 PolarHBondContact O-N 2.88Å; T140-D143 PolarHBondContact O-N 2.87Å; T140-M144 WeakPolarHBondContact O-CB 3.11Å; T140-M144 WeakPolarHBondContact O-CG 3.39Å; T140-M144 PolarHBondContact O-N 3.48Å
141	I	97.9	Very high	96.4	Very high	109 Å²	109	94.2 Å²	94.2	56%	0.559	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-45.2	173.9	-72.5	167.2	0	0	0	111.3	A137 R138 R139 M144 A145	A137-I141 WeakPolarHBondContact O-CD1 3.5Å; A137-I141 VanDerWaalsContact O-CG1 3.25Å; A137-I141 WeakPolarHBondContact O-CG1 3.36Å; A137-I141 PolarHBondContact O-N 2.87Å; R138-I141 PolarHBondContact O-N 3.43Å; R139-I141 PolarHBondContact O-N 3.39Å; I141-M144 PolarHBondContact O-N 2.91Å; I141-A145 WeakPolarHBondContact O-CB 3.49Å; I141-A145 PolarHBondContact O-N 2.87Å
142	D	97.1	Very high	96.6	Very high	95 Å²	95	96.6 Å²	96.6	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-65.2	-40.9	179.8	-70.1	-21.9	0	0	0	111.3	R138 R139 A145 R146	R138-D142 PolarHBondContact O-N 2.85Å; R139-D142 PolarHBondContact O-N 2.97Å; D142-A145 PolarHBondContact O-N 3.42Å; D142-R146 WeakPolarHBondContact O-CG 3.18Å; D142-R146 PolarHBondContact O-N 3.36Å
143	D	97.1	Very high	96.7	Very high	78 Å²	78	95.5 Å²	95.5	42%	0.417	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-43.5	175.3	-70.5	-25.1	0	0	0	111.6	R139 T140 A145 R146 Q147	R139-D143 WeakPolarHBondContact O-CB 3.38Å; R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.49Å; T140-D143 PolarHBondContact O-N 2.87Å; D143-A145 VanDerWaalsContact C-N 3.33Å; D143-A145 PolarHBondContact O-N 3.11Å; D143-R146 PolarHBondContact O-N 2.86Å; D143-Q147 WeakPolarHBondContact O-CG 3.41Å; D143-Q147 PolarHBondContact O-N 2.9Å
144	M	96.3	Very high	96.9	Very high	127 Å²	127	95.4 Å²	95.4	63%	0.626	48%	0.48	S	S	*	.	H	α-helix	trans	-63.1	-38.4	174.6	-74.9	-179.8	73.2	0	0	112.2	T140 I141 Q147 K148	T140-M144 WeakPolarHBondContact O-CB 3.11Å; T140-M144 WeakPolarHBondContact O-CG 3.39Å; T140-M144 PolarHBondContact O-N 3.48Å; I141-M144 PolarHBondContact O-N 2.91Å; M144-Q147 PolarHBondContact O-N 3.43Å; M144-K148 VanDerWaalsContact O-CB 3.29Å; M144-K148 WeakPolarHBondContact O-CB 3.36Å; M144-K148 PolarHBondContact O-N 2.96Å
145	A	96.8	Very high	96.9	Very high	56 Å²	56	95 Å²	95	46%	0.463	48%	0.477	S	S	.	.	H	α-helix	trans	-65.4	-40.1	176.6	0	0	0	0	0	111.7	I141 D142 D143 K148 S149	I141-A145 WeakPolarHBondContact O-CB 3.49Å; I141-A145 PolarHBondContact O-N 2.87Å; D142-A145 PolarHBondContact O-N 3.42Å; D143-A145 VanDerWaalsContact C-N 3.33Å; D143-A145 PolarHBondContact O-N 3.11Å; A145-K148 PolarHBondContact O-N 2.93Å; A145-S149 PolarHBondContact O-N 2.91Å; A145-S149 PolarHBondContact O-OG 3.26Å
146	R	97.6	Very high	97	Very high	175 Å²	175	95.7 Å²	95.7	66%	0.66	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-50.9	173.6	-72.4	173.7	-178.4	-176.7	0.8	111.5	D142 D143 K148 S149 E150	D142-R146 WeakPolarHBondContact O-CG 3.18Å; D142-R146 PolarHBondContact O-N 3.36Å; D143-R146 PolarHBondContact O-N 2.86Å; R146-K148 VanDerWaalsContact C-N 3.29Å; R146-K148 PolarHBondContact O-N 3.16Å; R146-S149 PolarHBondContact O-N 3.38Å; R146-S149 VanDerWaalsContact O-N 3.13Å; R146-S149 PolarHBondContact O-OG 2.99Å; R146-E150 PolarHBondContact O-N 2.86Å
147	Q	97.3	Very high	97	Very high	117 Å²	117	100.5 Å²	100.5	55%	0.547	50%	0.495	S	S	.	.	H	α-helix	trans	-58.6	-41.8	177.6	-71.8	176.7	6.4	0	0	111.8	D143 M144 E150 I151	D143-Q147 WeakPolarHBondContact O-CG 3.41Å; D143-Q147 PolarHBondContact O-N 2.9Å; M144-Q147 PolarHBondContact O-N 3.43Å; Q147-E150 PolarHBondContact O-N 3.29Å; Q147-I151 WeakPolarHBondContact O-CG1 3.44Å; Q147-I151 PolarHBondContact O-N 3.28Å
148	K	96.7	Very high	97	Very high	127 Å²	127	103.3 Å²	103.3	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-58.7	-48.8	174.6	178.8	-178.2	167.7	-176.5	0	111.5	M144 A145 R146 E150 I151 E152	M144-K148 VanDerWaalsContact O-CB 3.29Å; M144-K148 WeakPolarHBondContact O-CB 3.36Å; M144-K148 PolarHBondContact O-N 2.96Å; A145-K148 PolarHBondContact O-N 2.93Å; R146-K148 VanDerWaalsContact C-N 3.29Å; R146-K148 PolarHBondContact O-N 3.16Å; K148-E150 VanDerWaalsContact C-N 3.3Å; K148-E150 PolarHBondContact O-N 3Å; K148-I151 PolarHBondContact O-N 2.98Å; K148-E152 WeakPolarHBondContact CE-OE1 3.32Å; K148-E152 HydrophobicContact CG-CG 4.49Å; K148-E152 IonicContact NZ-OE1 3.16Å; K148-E152 WeakPolarHBondContact O-CG 3.25Å; K148-E152 PolarHBondContact O-N 3.47Å
149	S	97	Very high	97	Very high	61 Å²	61	103.2 Å²	103.2	43%	0.427	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-36	179.4	69	0	0	0	0	112.7	A145 R146 E152 V153	A145-S149 PolarHBondContact O-N 2.91Å; A145-S149 PolarHBondContact O-OG 3.26Å; R146-S149 PolarHBondContact O-N 3.38Å; R146-S149 VanDerWaalsContact O-N 3.13Å; R146-S149 PolarHBondContact O-OG 2.99Å; S149-E152 PolarHBondContact O-N 2.89Å; S149-V153 WeakPolarHBondContact O-CG2 3.45Å; S149-V153 PolarHBondContact O-N 2.84Å
150	E	97.8	Very high	97	Very high	116 Å²	116	101.3 Å²	101.3	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-46.1	175.8	-175	177.9	178.3	0	0	111.5	R146 Q147 K148 E152 V153 Q154	R146-E150 PolarHBondContact O-N 2.86Å; Q147-E150 PolarHBondContact O-N 3.29Å; K148-E150 VanDerWaalsContact C-N 3.3Å; K148-E150 PolarHBondContact O-N 3Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.15Å; E150-V153 PolarHBondContact O-N 3.4Å; E150-Q154 WeakPolarHBondContact O-CG 3.34Å; E150-Q154 PolarHBondContact O-N 3.3Å
151	I	96.1	Very high	97	Very high	91 Å²	91	100.9 Å²	100.9	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.4	-68	167.3	0	0	0	110.8	Q147 K148 V153 Q154 I155	Q147-I151 WeakPolarHBondContact O-CG1 3.44Å; Q147-I151 PolarHBondContact O-N 3.28Å; K148-I151 PolarHBondContact O-N 2.98Å; I151-V153 PolarHBondContact O-N 3.28Å; I151-Q154 PolarHBondContact O-N 3.23Å; I151-I155 HydrophobicContact CG2-CD1 3.83Å; I151-I155 HydrophobicContact CG2-CG1 4.33Å; I151-I155 VanDerWaalsContact O-CG1 3.3Å; I151-I155 WeakPolarHBondContact O-CG1 3.33Å; I151-I155 PolarHBondContact O-N 3.44Å
152	E	98.1	Very high	96.9	Very high	104 Å²	104	100 Å²	100	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-41.5	176.6	-75.5	173.6	166.9	0	0	112	K148 S149 E150 I155 S156	K148-E152 WeakPolarHBondContact CE-OE1 3.32Å; K148-E152 HydrophobicContact CG-CG 4.49Å; K148-E152 IonicContact NZ-OE1 3.16Å; K148-E152 WeakPolarHBondContact O-CG 3.25Å; K148-E152 PolarHBondContact O-N 3.47Å; S149-E152 PolarHBondContact O-N 2.89Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.15Å; E152-I155 PolarHBondContact O-N 3Å; E152-S156 PolarHBondContact O-N 3.47Å
153	V	97	Very high	96.8	Very high	70 Å²	70	98.2 Å²	98.2	42%	0.424	50%	0.498	S	S	.	.	H	α-helix	trans	-64.3	-42.2	173.9	170.5	0	0	0	0	111.3	S149 E150 I151 S156 R157	S149-V153 WeakPolarHBondContact O-CG2 3.45Å; S149-V153 PolarHBondContact O-N 2.84Å; E150-V153 PolarHBondContact O-N 3.4Å; I151-V153 PolarHBondContact O-N 3.28Å; V153-S156 PolarHBondContact O-N 2.86Å; V153-R157 WeakPolarHBondContact O-CG 3.46Å; V153-R157 PolarHBondContact O-N 3.35Å
154	Q	97.4	Very high	96.7	Very high	93 Å²	93	98.8 Å²	98.8	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-42.2	176.1	-71.7	175.2	5.4	0	0	111.9	E150 I151 R157 L158	E150-Q154 WeakPolarHBondContact O-CG 3.34Å; E150-Q154 PolarHBondContact O-N 3.3Å; I151-Q154 PolarHBondContact O-N 3.23Å; Q154-R157 PolarHBondContact O-N 3.37Å; Q154-L158 WeakPolarHBondContact O-CB 3.33Å; Q154-L158 WeakPolarHBondContact O-CG 3.43Å; Q154-L158 PolarHBondContact O-N 3.5Å
155	I	96	Very high	96.6	Very high	84 Å²	84	100.3 Å²	100.3	43%	0.431	50%	0.498	S	S	.	.	H	α-helix	trans	-60.4	-46.5	175.6	-71.7	168.2	0	0	0	110.4	I151 E152 R157 L158 Q159	I151-I155 HydrophobicContact CG2-CD1 3.83Å; I151-I155 HydrophobicContact CG2-CG1 4.33Å; I151-I155 VanDerWaalsContact O-CG1 3.3Å; I151-I155 WeakPolarHBondContact O-CG1 3.33Å; I151-I155 PolarHBondContact O-N 3.44Å; E152-I155 PolarHBondContact O-N 3Å; I155-R157 PolarHBondContact O-N 3.48Å; I155-L158 PolarHBondContact O-N 3.31Å; I155-Q159 HydrophobicContact CG2-CG 4.41Å; I155-Q159 WeakPolarHBondContact O-CB 3.27Å; I155-Q159 VanDerWaalsContact O-CG 3.28Å; I155-Q159 WeakPolarHBondContact O-CG 3.37Å; I155-Q159 PolarHBondContact O-N 3.48Å
156	S	97.3	Very high	96.5	Very high	57 Å²	57	105.9 Å²	105.9	40%	0.399	51%	0.507	S	S	.	.	H	α-helix	trans	-59.7	-46.1	177.8	-169.1	0	0	0	0	111.6	E152 V153 L158 Q159 D160	E152-S156 PolarHBondContact O-N 3.47Å; V153-S156 PolarHBondContact O-N 2.86Å; S156-L158 PolarHBondContact O-N 2.89Å; S156-Q159 WeakPolarHBondContact O-CB 3.29Å; S156-Q159 PolarHBondContact O-N 3.36Å; S156-D160 PolarHBondContact O-N 3.04Å
157	R	95.8	Very high	96.4	Very high	162 Å²	162	106.2 Å²	106.2	61%	0.611	51%	0.508	S	S	*	.	H	α-helix	trans	-61	-46.1	177.3	-71.3	175.1	-175.6	176.1	2.3	112	V153 Q154 I155 Q159 D160 D161	V153-R157 WeakPolarHBondContact O-CG 3.46Å; V153-R157 PolarHBondContact O-N 3.35Å; Q154-R157 PolarHBondContact O-N 3.37Å; I155-R157 PolarHBondContact O-N 3.48Å; R157-Q159 VanDerWaalsContact C-N 3.27Å; R157-Q159 PolarHBondContact O-N 3Å; R157-D160 PolarHBondContact O-N 3.47Å; R157-D161 VanDerWaalsContact O-CG 3.27Å; R157-D161 PolarHBondContact O-N 3.03Å
158	L	96.4	Very high	96.4	Very high	105 Å²	105	107.8 Å²	107.8	55%	0.55	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-32	177.5	-72.2	172.9	0	0	0	112.3	Q154 I155 S156 I162	Q154-L158 WeakPolarHBondContact O-CB 3.33Å; Q154-L158 WeakPolarHBondContact O-CG 3.43Å; Q154-L158 PolarHBondContact O-N 3.5Å; I155-L158 PolarHBondContact O-N 3.31Å; S156-L158 PolarHBondContact O-N 2.89Å; L158-I162 WeakPolarHBondContact O-CB 3.48Å; L158-I162 WeakPolarHBondContact O-CD1 3.26Å; L158-I162 WeakPolarHBondContact O-CG1 3.33Å; L158-I162 PolarHBondContact O-N 3.06Å
159	Q	97.7	Very high	96.2	Very high	120 Å²	120	107.8 Å²	107.8	56%	0.561	51%	0.506	S	S	*	.	H	α-helix	trans	-67.7	-43.2	173.5	-75.4	174.2	-16.8	0	0	111.9	I155 S156 R157 I162 A163	I155-Q159 HydrophobicContact CG2-CG 4.41Å; I155-Q159 WeakPolarHBondContact O-CB 3.27Å; I155-Q159 VanDerWaalsContact O-CG 3.28Å; I155-Q159 WeakPolarHBondContact O-CG 3.37Å; I155-Q159 PolarHBondContact O-N 3.48Å; S156-Q159 WeakPolarHBondContact O-CB 3.29Å; S156-Q159 PolarHBondContact O-N 3.36Å; R157-Q159 VanDerWaalsContact C-N 3.27Å; R157-Q159 PolarHBondContact O-N 3Å; Q159-I162 PolarHBondContact O-N 3.28Å; Q159-A163 PolarHBondContact O-N 3.43Å
160	D	97.1	Very high	96	Very high	103 Å²	103	109.7 Å²	109.7	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-62.3	-45.4	175	-66.9	-28.9	0	0	0	111	S156 R157 I162 A163 E164	S156-D160 PolarHBondContact O-N 3.04Å; R157-D160 PolarHBondContact O-N 3.47Å; D160-I162 PolarHBondContact O-N 2.91Å; D160-A163 WeakPolarHBondContact O-CB 3.37Å; D160-A163 PolarHBondContact O-N 3.2Å; D160-A163 VanDerWaalsContact O-N 3.16Å; D160-E164 PolarHBondContact O-N 2.95Å
161	D	96.7	Very high	95.8	Very high	69 Å²	69	106.8 Å²	106.8	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-59.1	-45	175.5	-69.7	-17.4	0	0	0	111.2	R157 A163 E164 Y165	R157-D161 VanDerWaalsContact O-CG 3.27Å; R157-D161 PolarHBondContact O-N 3.03Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.86Å; D161-E164 PolarHBondContact O-N 3.34Å; D161-Y165 HydrophobicContact CB-CD2 4.39Å; D161-Y165 HydrophobicContact CB-CE2 4.25Å; D161-Y165 WeakPolarHBondContact O-CB 3.1Å; D161-Y165 WeakPolarHBondContact O-CD2 3.44Å; D161-Y165 PolarHBondContact O-N 3.01Å
162	I	94.6	Very high	95.6	Very high	90 Å²	90	105.3 Å²	105.3	46%	0.462	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-42.9	176.5	-74.3	165.6	0	0	0	111	L158 Q159 D160 E164 Y165 R166	L158-I162 WeakPolarHBondContact O-CB 3.48Å; L158-I162 WeakPolarHBondContact O-CD1 3.26Å; L158-I162 WeakPolarHBondContact O-CG1 3.33Å; L158-I162 PolarHBondContact O-N 3.06Å; Q159-I162 PolarHBondContact O-N 3.28Å; D160-I162 PolarHBondContact O-N 2.91Å; I162-E164 VanDerWaalsContact C-N 3.33Å; I162-Y165 PolarHBondContact O-N 3.48Å; I162-R166 WeakPolarHBondContact O-CB 3.32Å; I162-R166 VanDerWaalsContact O-CG 3.27Å; I162-R166 WeakPolarHBondContact O-CG 3.35Å; I162-R166 PolarHBondContact O-N 3.49Å
163	A	95.5	Very high	95.4	Very high	58 Å²	58	103.2 Å²	103.2	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-40.9	177.7	0	0	0	0	0	111.3	Q159 D160 D161 R166 R167	Q159-A163 PolarHBondContact O-N 3.43Å; D160-A163 WeakPolarHBondContact O-CB 3.37Å; D160-A163 PolarHBondContact O-N 3.2Å; D160-A163 VanDerWaalsContact O-N 3.16Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.86Å; A163-R166 PolarHBondContact O-N 3.47Å; A163-R167 PolarHBondContact O-N 3.49Å
164	E	95.9	Very high	95.3	Very high	89 Å²	89	106.6 Å²	106.6	42%	0.416	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-47.5	175.2	-172.2	179.6	-179.5	0	0	112	D160 D161 I162 R166 R167 R168	D160-E164 PolarHBondContact O-N 2.95Å; D161-E164 PolarHBondContact O-N 3.34Å; I162-E164 VanDerWaalsContact C-N 3.33Å; E164-R166 VanDerWaalsContact C-N 3.29Å; E164-R166 PolarHBondContact O-N 2.9Å; E164-R167 PolarHBondContact O-N 2.85Å; E164-R168 HydrophobicContact CG-CG 4.41Å; E164-R168 WeakPolarHBondContact O-CG 3.42Å; E164-R168 PolarHBondContact O-N 3.16Å; E164-R168 IonicContact OE1-CZ 3.71Å; E164-R168 IonicContact OE1-NE 2.74Å; E164-R168 PolarHBondContact OE1-NE 3.38Å; E164-R168 IonicContact OE1-NH2 3.22Å; E164-R168 PolarHBondContact OE1-NH2 3.32Å
165	Y	93.6	Very high	95.1	Very high	159 Å²	159	108.1 Å²	108.1	62%	0.624	51%	0.511	S	S	*	.	H	α-helix	trans	-61	-37.5	176.8	-76.4	-57.4	0	0	0	112.3	D161 I162 Y169	D161-Y165 HydrophobicContact CB-CD2 4.39Å; D161-Y165 HydrophobicContact CB-CE2 4.25Å; D161-Y165 WeakPolarHBondContact O-CB 3.1Å; D161-Y165 WeakPolarHBondContact O-CD2 3.44Å; D161-Y165 PolarHBondContact O-N 3.01Å; I162-Y165 PolarHBondContact O-N 3.48Å; Y165-Y169 VanDerWaalsContact O-CB 3.31Å; Y165-Y169 WeakPolarHBondContact O-CB 3.46Å; Y165-Y169 PolarHBondContact O-N 2.85Å
166	R	95.4	Very high	94.9	Very high	174 Å²	174	111.2 Å²	111.2	66%	0.657	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-48.4	173.3	-76	175.6	-179.8	-150.3	1.8	111.4	I162 A163 E164 R168 Y169 D170	I162-R166 WeakPolarHBondContact O-CB 3.32Å; I162-R166 VanDerWaalsContact O-CG 3.27Å; I162-R166 WeakPolarHBondContact O-CG 3.35Å; I162-R166 PolarHBondContact O-N 3.49Å; A163-R166 PolarHBondContact O-N 3.47Å; E164-R166 VanDerWaalsContact C-N 3.29Å; E164-R166 PolarHBondContact O-N 2.9Å; R166-R168 PolarHBondContact O-N 2.94Å; R166-Y169 WeakPolarHBondContact O-CB 3.42Å; R166-Y169 PolarHBondContact O-N 2.98Å; R166-Y169 VanDerWaalsContact O-N 3.14Å; R166-D170 PolarHBondContact O-N 2.93Å
167	R	95.9	Very high	94.7	Very high	182 Å²	182	112.6 Å²	112.6	69%	0.687	52%	0.517	S	S	*	.	H	α-helix	trans	-58.9	-46.9	176.7	-177.2	-178.9	175.1	179.6	0.9	111.9	A163 E164 Y169 D170 D171	A163-R167 PolarHBondContact O-N 3.49Å; E164-R167 PolarHBondContact O-N 2.85Å; R167-Y169 VanDerWaalsContact C-N 3.28Å; R167-Y169 PolarHBondContact O-N 3.3Å; R167-D170 PolarHBondContact O-N 3.49Å; R167-D171 WeakPolarHBondContact O-CB 3.46Å; R167-D171 PolarHBondContact O-N 2.93Å
168	R	96	Very high	94.7	Very high	149 Å²	149	109 Å²	109	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-60.9	-37.9	176.5	-70.9	178	179.6	-155.5	2.4	111.7	E164 R166 A172	E164-R168 HydrophobicContact CG-CG 4.41Å; E164-R168 WeakPolarHBondContact O-CG 3.42Å; E164-R168 PolarHBondContact O-N 3.16Å; E164-R168 IonicContact OE1-CZ 3.71Å; E164-R168 IonicContact OE1-NE 2.74Å; E164-R168 PolarHBondContact OE1-NE 3.38Å; E164-R168 IonicContact OE1-NH2 3.22Å; E164-R168 PolarHBondContact OE1-NH2 3.32Å; R166-R168 PolarHBondContact O-N 2.94Å; R168-A172 WeakPolarHBondContact O-CB 3.47Å; R168-A172 PolarHBondContact O-N 3.36Å
169	Y	92.2	Very high	94.4	Very high	127 Å²	127	105.6 Å²	105.6	50%	0.498	50%	0.501	S	S	.	.	H	α-helix	trans	-66.1	-46.6	175.4	179.9	-97.8	0	0	0	112	Y165 R166 R167 D171 A172 V173	Y165-Y169 VanDerWaalsContact O-CB 3.31Å; Y165-Y169 WeakPolarHBondContact O-CB 3.46Å; Y165-Y169 PolarHBondContact O-N 2.85Å; R166-Y169 WeakPolarHBondContact O-CB 3.42Å; R166-Y169 PolarHBondContact O-N 2.98Å; R166-Y169 VanDerWaalsContact O-N 3.14Å; R167-Y169 VanDerWaalsContact C-N 3.28Å; R167-Y169 PolarHBondContact O-N 3.3Å; Y169-D171 PolarHBondContact O-N 3.24Å; Y169-A172 PolarHBondContact O-N 3.07Å; Y169-V173 HydrophobicContact CD1-CG2 4.12Å; Y169-V173 HydrophobicContact CE1-CG2 3.71Å; Y169-V173 HydrophobicContact CE2-CG2 4.26Å; Y169-V173 WeakPolarHBondContact O-CG2 3.44Å; Y169-V173 PolarHBondContact O-N 3.19Å
170	D	94.3	Very high	94.2	Very high	101 Å²	101	104.3 Å²	104.3	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-41.3	178.8	-68.4	-25.9	0	0	0	111.7	R166 R167 V173 R174	R166-D170 PolarHBondContact O-N 2.93Å; R167-D170 PolarHBondContact O-N 3.49Å; D170-V173 PolarHBondContact O-N 3.49Å; D170-R174 PolarHBondContact O-N 2.68Å
171	D	92.9	Very high	94.1	Very high	56 Å²	56	103.4 Å²	103.4	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-42.4	173.7	-76.8	-32.9	0	0	0	111.8	R167 Y169 R174 L175	R167-D171 WeakPolarHBondContact O-CB 3.46Å; R167-D171 PolarHBondContact O-N 2.93Å; Y169-D171 PolarHBondContact O-N 3.24Å; D171-R174 PolarHBondContact O-N 2.91Å; D171-R174 IonicContact OD1-CZ 2.68Å; D171-R174 IonicContact OD1-NH1 2.78Å; D171-R174 PolarHBondContact OD1-NH1 2.97Å; D171-R174 IonicContact OD1-NH2 3.92Å; D171-R174 PolarHBondContact OD1-NH2 2.98Å; D171-L175 WeakPolarHBondContact O-CB 3.5Å; D171-L175 PolarHBondContact O-N 3.45Å
172	A	93	Very high	94.1	Very high	59 Å²	59	105.2 Å²	105.2	49%	0.488	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-37.4	176	0	0	0	0	0	112.6	R168 Y169 R176	R168-A172 WeakPolarHBondContact O-CB 3.47Å; R168-A172 PolarHBondContact O-N 3.36Å; Y169-A172 PolarHBondContact O-N 3.07Å; A172-R176 VanDerWaalsContact O-CB 3.31Å; A172-R176 WeakPolarHBondContact O-CB 3.42Å; A172-R176 PolarHBondContact O-N 2.71Å
173	V	93.1	Very high	93.8	Very high	61 Å²	61	105.2 Å²	105.2	37%	0.37	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-44.5	174.6	169.1	0	0	0	0	110.7	Y169 D170 R176 Q177	Y169-V173 HydrophobicContact CD1-CG2 4.12Å; Y169-V173 HydrophobicContact CE1-CG2 3.71Å; Y169-V173 HydrophobicContact CE2-CG2 4.26Å; Y169-V173 WeakPolarHBondContact O-CG2 3.44Å; Y169-V173 PolarHBondContact O-N 3.19Å; D170-V173 PolarHBondContact O-N 3.49Å; V173-R176 PolarHBondContact O-N 2.74Å; V173-Q177 PolarHBondContact O-N 3.45Å
174	R	94.8	Very high	93.7	Very high	141 Å²	141	104.6 Å²	104.6	53%	0.532	49%	0.489	S	S	.	.	H	α-helix	trans	-59.4	-51.2	175.8	-174.5	179.6	68	-121.1	-6.3	111.1	D170 D171 R176 Q177 D178	D170-R174 PolarHBondContact O-N 2.68Å; D171-R174 PolarHBondContact O-N 2.91Å; D171-R174 IonicContact OD1-CZ 2.68Å; D171-R174 IonicContact OD1-NH1 2.78Å; D171-R174 PolarHBondContact OD1-NH1 2.97Å; D171-R174 IonicContact OD1-NH2 3.92Å; D171-R174 PolarHBondContact OD1-NH2 2.98Å; R174-R176 VanDerWaalsContact C-N 3.28Å; R174-R176 PolarHBondContact O-N 3.35Å; R174-Q177 WeakPolarHBondContact O-CA 3.41Å; R174-Q177 WeakPolarHBondContact O-CB 3.26Å; R174-Q177 PolarHBondContact O-N 2.92Å; R174-D178 PolarHBondContact O-N 3.36Å
175	L	93.9	Very high	93.7	Very high	124 Å²	124	102.9 Å²	102.9	65%	0.649	49%	0.487	S	S	*	.	H	α-helix	trans	-60.6	-38.4	179.7	-174.5	64.8	0	0	0	112.3	D171 Q177 G179	D171-L175 WeakPolarHBondContact O-CB 3.5Å; D171-L175 PolarHBondContact O-N 3.45Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-G179 PolarHBondContact O-N 3.34Å
176	R	91.6	Very high	93.7	Very high	150 Å²	150	99 Å²	99	57%	0.566	48%	0.477	S	S	*	.	H	α-helix	trans	-64.6	-36.9	174.1	176.6	176.7	168.2	-111.6	7	112.1	A172 V173 R174 K180	A172-R176 VanDerWaalsContact O-CB 3.31Å; A172-R176 WeakPolarHBondContact O-CB 3.42Å; A172-R176 PolarHBondContact O-N 2.71Å; V173-R176 PolarHBondContact O-N 2.74Å; R174-R176 VanDerWaalsContact C-N 3.28Å; R174-R176 PolarHBondContact O-N 3.35Å; R176-K180 WeakPolarHBondContact O-CG 3.33Å; R176-K180 PolarHBondContact O-N 2.99Å; R176-K180 VanDerWaalsContact O-N 3.1Å
177	Q	93.2	Very high	93.8	Very high	85 Å²	85	98.9 Å²	98.9	40%	0.397	48%	0.477	S	S	.	.	H	α-helix	trans	-69.6	-47.1	177.3	-175.9	55.5	29.5	0	0	111.1	V173 R174 L175 G179 K180 D181	V173-Q177 PolarHBondContact O-N 3.45Å; R174-Q177 WeakPolarHBondContact O-CA 3.41Å; R174-Q177 WeakPolarHBondContact O-CB 3.26Å; R174-Q177 PolarHBondContact O-N 2.92Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; Q177-G179 VanDerWaalsContact C-N 3.27Å; Q177-G179 PolarHBondContact O-N 3.42Å; Q177-K180 WeakPolarHBondContact O-CB 3.48Å; Q177-K180 PolarHBondContact O-N 3Å; Q177-D181 PolarHBondContact NE2-OD1 2.89Å; Q177-D181 PolarHBondContact NE2-OD2 2.78Å; Q177-D181 VanDerWaalsContact NE2-OD2 3.15Å; Q177-D181 PolarHBondContact O-N 3.36Å
178	D	94.3	Very high	93.7	Very high	87 Å²	87	95 Å²	95	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-56.4	-43.1	174.9	-63.1	-19.3	0	0	0	111.3	R174 K180 D181 Q182	R174-D178 PolarHBondContact O-N 3.36Å; D178-K180 PolarHBondContact O-N 2.95Å; D178-D181 PolarHBondContact O-N 3.11Å; D178-Q182 WeakPolarHBondContact O-CB 3.48Å; D178-Q182 PolarHBondContact O-N 3.21Å
179	G	91.8	Very high	93.8	Very high	34 Å²	34	92.7 Å²	92.7	35%	0.351	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-39.1	175	0	0	0	0	0	113.4	L175 Q177 I183	L175-G179 PolarHBondContact O-N 3.34Å; Q177-G179 VanDerWaalsContact C-N 3.27Å; Q177-G179 PolarHBondContact O-N 3.42Å; G179-I183 WeakPolarHBondContact O-CB 3.48Å; G179-I183 WeakPolarHBondContact O-CD1 3.27Å; G179-I183 VanDerWaalsContact O-CG1 3.24Å; G179-I183 WeakPolarHBondContact O-CG1 3.31Å; G179-I183 PolarHBondContact O-N 2.94Å
180	K	93.3	Very high	93.9	Very high	92 Å²	92	91.3 Å²	91.3	40%	0.4	47%	0.466	S	S	.	.	H	α-helix	trans	-66.3	-42.1	175	-76.6	175.1	179.7	-179.2	0	112	R176 Q177 D178 Q182 I183 A184	R176-K180 WeakPolarHBondContact O-CG 3.33Å; R176-K180 PolarHBondContact O-N 2.99Å; R176-K180 VanDerWaalsContact O-N 3.1Å; Q177-K180 WeakPolarHBondContact O-CB 3.48Å; Q177-K180 PolarHBondContact O-N 3Å; D178-K180 PolarHBondContact O-N 2.95Å; K180-Q182 VanDerWaalsContact C-N 3.33Å; K180-I183 PolarHBondContact O-N 3.37Å; K180-A184 WeakPolarHBondContact O-CB 3.28Å; K180-A184 PolarHBondContact O-N 3.34Å
181	D	95.1	Very high	94	Very high	84 Å²	84	89.7 Å²	89.7	45%	0.449	46%	0.461	S	S	.	.	H	α-helix	trans	-67.1	-38.4	-179.7	-65.1	-24.5	0	0	0	110.6	Q177 D178 A184 S185	Q177-D181 PolarHBondContact NE2-OD1 2.89Å; Q177-D181 PolarHBondContact NE2-OD2 2.78Å; Q177-D181 VanDerWaalsContact NE2-OD2 3.15Å; Q177-D181 PolarHBondContact O-N 3.36Å; D178-D181 PolarHBondContact O-N 3.11Å; D181-A184 PolarHBondContact O-N 3.49Å; D181-S185 WeakPolarHBondContact O-CB 3.24Å; D181-S185 PolarHBondContact O-N 2.9Å
182	Q	95.8	Very high	94.1	Very high	108 Å²	108	91.9 Å²	91.9	51%	0.505	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-42.5	171.9	-174	61	19.6	0	0	112.5	D178 K180 A184 S185 L186	D178-Q182 WeakPolarHBondContact O-CB 3.48Å; D178-Q182 PolarHBondContact O-N 3.21Å; K180-Q182 VanDerWaalsContact C-N 3.33Å; Q182-A184 VanDerWaalsContact C-N 3.32Å; Q182-A184 PolarHBondContact O-N 3.29Å; Q182-S185 PolarHBondContact O-N 3.06Å; Q182-L186 HydrophobicContact CG-CD1 4.2Å; Q182-L186 WeakPolarHBondContact O-CB 3.33Å; Q182-L186 WeakPolarHBondContact O-CG 3.5Å; Q182-L186 PolarHBondContact O-N 3.4Å
183	I	89.5	Confident	94.2	Very high	90 Å²	90	91.1 Å²	91.1	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-62.3	-40.8	174.7	-72.2	165.9	0	0	0	110.8	G179 K180 L186 R187	G179-I183 WeakPolarHBondContact O-CB 3.48Å; G179-I183 WeakPolarHBondContact O-CD1 3.27Å; G179-I183 VanDerWaalsContact O-CG1 3.24Å; G179-I183 WeakPolarHBondContact O-CG1 3.31Å; G179-I183 PolarHBondContact O-N 2.94Å; K180-I183 PolarHBondContact O-N 3.37Å; I183-L186 PolarHBondContact O-N 2.95Å; I183-R187 HydrophobicContact CG2-CG 4.46Å; I183-R187 WeakPolarHBondContact O-CB 3.5Å; I183-R187 VanDerWaalsContact O-CG 3.25Å; I183-R187 WeakPolarHBondContact O-CG 3.42Å; I183-R187 PolarHBondContact O-N 2.72Å
184	A	92.6	Very high	94.3	Very high	44 Å²	44	93 Å²	93	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-63.6	-44	176.5	0	0	0	0	0	111.6	K180 D181 Q182 R187 N188	K180-A184 WeakPolarHBondContact O-CB 3.28Å; K180-A184 PolarHBondContact O-N 3.34Å; D181-A184 PolarHBondContact O-N 3.49Å; Q182-A184 VanDerWaalsContact C-N 3.32Å; Q182-A184 PolarHBondContact O-N 3.29Å; A184-R187 PolarHBondContact O-N 3.02Å; A184-N188 PolarHBondContact O-N 3.17Å
185	S	95	Very high	94.3	Very high	53 Å²	53	90.2 Å²	90.2	37%	0.371	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-48	174.9	-178.1	0	0	0	0	112.2	D181 Q182 R187 N188 M189	D181-S185 WeakPolarHBondContact O-CB 3.24Å; D181-S185 PolarHBondContact O-N 2.9Å; Q182-S185 PolarHBondContact O-N 3.06Å; S185-R187 VanDerWaalsContact C-N 3.32Å; S185-R187 PolarHBondContact O-N 3.19Å; S185-N188 PolarHBondContact O-N 3.39Å; S185-M189 WeakPolarHBondContact O-CG 3.44Å; S185-M189 PolarHBondContact O-N 2.95Å
186	L	94.8	Very high	94.5	Very high	78 Å²	78	90 Å²	90	41%	0.408	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-40.7	175.9	-74.3	165.5	0	0	0	112.2	Q182 I183 M189 I190	Q182-L186 HydrophobicContact CG-CD1 4.2Å; Q182-L186 WeakPolarHBondContact O-CB 3.33Å; Q182-L186 WeakPolarHBondContact O-CG 3.5Å; Q182-L186 PolarHBondContact O-N 3.4Å; I183-L186 PolarHBondContact O-N 2.95Å; L186-M189 HydrophobicContact CD2-CE 3.49Å; L186-M189 VanDerWaalsContact CD2-CE 3.49Å; L186-M189 HydrophobicContact CG-CE 4.18Å; L186-M189 PolarHBondContact O-N 3.35Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.47Å; L186-I190 PolarHBondContact O-N 3Å
187	R	95.8	Very high	94.7	Very high	172 Å²	172	86.8 Å²	86.8	65%	0.649	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-42.5	175.8	-76.3	172.2	176.8	-169	-0.9	112	I183 A184 S185 I190 T191	I183-R187 HydrophobicContact CG2-CG 4.46Å; I183-R187 WeakPolarHBondContact O-CB 3.5Å; I183-R187 VanDerWaalsContact O-CG 3.25Å; I183-R187 WeakPolarHBondContact O-CG 3.42Å; I183-R187 PolarHBondContact O-N 2.72Å; A184-R187 PolarHBondContact O-N 3.02Å; S185-R187 VanDerWaalsContact C-N 3.32Å; S185-R187 PolarHBondContact O-N 3.19Å; R187-I190 PolarHBondContact O-N 2.98Å; R187-T191 PolarHBondContact O-N 3.3Å; R187-T191 PolarHBondContact O-OG1 3.1Å
188	N	94.8	Very high	94.9	Very high	99 Å²	99	89 Å²	89	53%	0.529	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-43.4	176.6	-66.8	-14.6	0	0	0	111.5	A184 S185 I190 T191 D192	A184-N188 PolarHBondContact O-N 3.17Å; S185-N188 PolarHBondContact O-N 3.39Å; N188-I190 VanDerWaalsContact C-N 3.31Å; N188-I190 PolarHBondContact O-N 3.28Å; N188-T191 WeakPolarHBondContact CA-OG1 3.5Å; N188-T191 PolarHBondContact O-N 3.44Å; N188-T191 PolarHBondContact O-OG1 3.01Å; N188-D192 VanDerWaalsContact O-CG 3.28Å; N188-D192 PolarHBondContact O-N 3.36Å
189	M	97.1	Very high	94.9	Very high	102 Å²	102	88.7 Å²	88.7	50%	0.502	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-37.5	175.7	-67.9	-170.4	-58.7	0	0	112.5	S185 L186 D192 A193	S185-M189 WeakPolarHBondContact O-CG 3.44Å; S185-M189 PolarHBondContact O-N 2.95Å; L186-M189 HydrophobicContact CD2-CE 3.49Å; L186-M189 VanDerWaalsContact CD2-CE 3.49Å; L186-M189 HydrophobicContact CG-CE 4.18Å; L186-M189 PolarHBondContact O-N 3.35Å; M189-D192 PolarHBondContact O-N 2.96Å; M189-A193 WeakPolarHBondContact O-CB 3.33Å; M189-A193 PolarHBondContact O-N 3.34Å
190	I	94.9	Very high	95.2	Very high	97 Å²	97	91.4 Å²	91.4	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-46.5	173.7	-70.5	166	0	0	0	110.2	L186 R187 N188 D192 A193 E194	L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.47Å; L186-I190 PolarHBondContact O-N 3Å; R187-I190 PolarHBondContact O-N 2.98Å; N188-I190 VanDerWaalsContact C-N 3.31Å; N188-I190 PolarHBondContact O-N 3.28Å; I190-D192 VanDerWaalsContact C-N 3.32Å; I190-D192 PolarHBondContact O-N 3.29Å; I190-A193 PolarHBondContact O-N 3.48Å; I190-E194 HydrophobicContact CG2-CG 4.36Å; I190-E194 WeakPolarHBondContact O-CB 3.31Å; I190-E194 VanDerWaalsContact O-CG 3.31Å; I190-E194 WeakPolarHBondContact O-CG 3.44Å; I190-E194 PolarHBondContact O-N 2.87Å
191	T	95.8	Very high	95.3	Very high	68 Å²	68	94.9 Å²	94.9	42%	0.417	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-39.7	178.4	52	0	0	0	0	112.2	R187 N188 E194 T195	R187-T191 PolarHBondContact O-N 3.3Å; R187-T191 PolarHBondContact O-OG1 3.1Å; N188-T191 WeakPolarHBondContact CA-OG1 3.5Å; N188-T191 PolarHBondContact O-N 3.44Å; N188-T191 PolarHBondContact O-OG1 3.01Å; T191-E194 PolarHBondContact O-N 3.4Å; T191-T195 WeakPolarHBondContact O-CG2 3.46Å; T191-T195 PolarHBondContact O-N 2.95Å
192	D	95.7	Very high	95.4	Very high	102 Å²	102	95.6 Å²	95.6	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-48.7	177.9	-68.1	-18.9	0	0	0	110.7	N188 M189 I190 E194 T195 E196	N188-D192 VanDerWaalsContact O-CG 3.28Å; N188-D192 PolarHBondContact O-N 3.36Å; M189-D192 PolarHBondContact O-N 2.96Å; I190-D192 VanDerWaalsContact C-N 3.32Å; I190-D192 PolarHBondContact O-N 3.29Å; D192-E194 VanDerWaalsContact C-N 3.32Å; D192-E194 PolarHBondContact O-N 2.94Å; D192-T195 PolarHBondContact O-N 3.39Å; D192-T195 VanDerWaalsContact O-N 3.11Å; D192-T195 PolarHBondContact O-OG1 2.76Å; D192-E196 PolarHBondContact O-N 3.1Å
193	A	94.6	Very high	95.5	Very high	43 Å²	43	97.5 Å²	97.5	36%	0.355	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-39.1	176.1	0	0	0	0	0	112.4	M189 I190 T195 E196 I197	M189-A193 WeakPolarHBondContact O-CB 3.33Å; M189-A193 PolarHBondContact O-N 3.34Å; I190-A193 PolarHBondContact O-N 3.48Å; A193-T195 VanDerWaalsContact C-N 3.35Å; A193-T195 PolarHBondContact O-N 3.47Å; A193-E196 PolarHBondContact O-N 3.27Å; A193-I197 WeakPolarHBondContact O-CB 3.49Å; A193-I197 VanDerWaalsContact O-CG1 3.26Å; A193-I197 WeakPolarHBondContact O-CG1 3.28Å; A193-I197 PolarHBondContact O-N 3.42Å
194	E	96.2	Very high	95.8	Very high	99 Å²	99	100.5 Å²	100.5	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-39.9	174.7	-77.3	-179.1	178.9	0	0	112.3	I190 T191 D192 K198	I190-E194 HydrophobicContact CG2-CG 4.36Å; I190-E194 WeakPolarHBondContact O-CB 3.31Å; I190-E194 VanDerWaalsContact O-CG 3.31Å; I190-E194 WeakPolarHBondContact O-CG 3.44Å; I190-E194 PolarHBondContact O-N 2.87Å; T191-E194 PolarHBondContact O-N 3.4Å; D192-E194 VanDerWaalsContact C-N 3.32Å; D192-E194 PolarHBondContact O-N 2.94Å; E194-K198 VanDerWaalsContact O-CG 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.37Å; E194-K198 PolarHBondContact O-N 3.5Å; E194-K198 VanDerWaalsContact O-N 3.07Å
195	T	95.3	Very high	96.1	Very high	84 Å²	84	105.1 Å²	105.1	52%	0.515	50%	0.502	S	S	.	.	H	α-helix	trans	-67.9	-39.1	175.7	64.8	0	0	0	0	112	T191 D192 A193 K198 L199	T191-T195 WeakPolarHBondContact O-CG2 3.46Å; T191-T195 PolarHBondContact O-N 2.95Å; D192-T195 PolarHBondContact O-N 3.39Å; D192-T195 VanDerWaalsContact O-N 3.11Å; D192-T195 PolarHBondContact O-OG1 2.76Å; A193-T195 VanDerWaalsContact C-N 3.35Å; A193-T195 PolarHBondContact O-N 3.47Å; T195-K198 PolarHBondContact O-N 2.92Å; T195-L199 PolarHBondContact O-N 3.4Å
196	E	97.3	Very high	96.1	Very high	118 Å²	118	106.4 Å²	106.4	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-64	-45.9	175.8	-174.1	178.5	-171.1	0	0	111.4	D192 A193 K198 L199 L200	D192-E196 PolarHBondContact O-N 3.1Å; A193-E196 PolarHBondContact O-N 3.27Å; E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.36Å; E196-L199 WeakPolarHBondContact O-CB 3.39Å; E196-L199 PolarHBondContact O-N 2.96Å; E196-L199 VanDerWaalsContact O-N 3.16Å; E196-L200 HydrophobicContact CG-CD1 4.04Å; E196-L200 HydrophobicContact CG-CG 4.4Å; E196-L200 WeakPolarHBondContact O-CB 3.26Å; E196-L200 WeakPolarHBondContact O-CG 3.46Å; E196-L200 PolarHBondContact O-N 2.98Å
197	I	95.3	Very high	96.2	Very high	83 Å²	83	107 Å²	107	43%	0.426	51%	0.511	S	S	.	.	H	α-helix	trans	-58.8	-42.5	175.4	-71.7	167.3	0	0	0	110.7	A193 L200 R201	A193-I197 WeakPolarHBondContact O-CB 3.49Å; A193-I197 VanDerWaalsContact O-CG1 3.26Å; A193-I197 WeakPolarHBondContact O-CG1 3.28Å; A193-I197 PolarHBondContact O-N 3.42Å; I197-L200 PolarHBondContact O-N 3.27Å; I197-R201 HydrophobicContact CG2-CG 4.38Å; I197-R201 WeakPolarHBondContact O-CB 3.02Å; I197-R201 VanDerWaalsContact O-CG 3.24Å; I197-R201 WeakPolarHBondContact O-CG 3.32Å; I197-R201 PolarHBondContact O-N 3.15Å
198	K	97.2	Very high	96.2	Very high	133 Å²	133	101.7 Å²	101.7	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-61.4	-45.2	176.5	-75.4	168.9	-174.3	166.9	0	111.4	E194 T195 E196 R201 Q202	E194-K198 VanDerWaalsContact O-CG 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.37Å; E194-K198 PolarHBondContact O-N 3.5Å; E194-K198 VanDerWaalsContact O-N 3.07Å; T195-K198 PolarHBondContact O-N 2.92Å; E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.36Å; K198-R201 PolarHBondContact O-N 3.07Å; K198-Q202 PolarHBondContact O-N 2.95Å
199	L	96.1	Very high	96.3	Very high	80 Å²	80	101.5 Å²	101.5	42%	0.419	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-47.6	177.9	178.4	63.2	0	0	0	111.8	T195 E196 R201 Q202 R203	T195-L199 PolarHBondContact O-N 3.4Å; E196-L199 WeakPolarHBondContact O-CB 3.39Å; E196-L199 PolarHBondContact O-N 2.96Å; E196-L199 VanDerWaalsContact O-N 3.16Å; L199-R201 PolarHBondContact O-N 3.41Å; L199-Q202 WeakPolarHBondContact O-CB 3.5Å; L199-Q202 PolarHBondContact O-N 3.02Å; L199-R203 WeakPolarHBondContact O-CG 3.49Å; L199-R203 PolarHBondContact O-N 2.92Å
200	L	96.7	Very high	96.3	Very high	90 Å²	90	101.4 Å²	101.4	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-41.9	178.5	-73.1	173.7	0	0	0	111.7	E196 I197 Q202 R203 F204	E196-L200 HydrophobicContact CG-CD1 4.04Å; E196-L200 HydrophobicContact CG-CG 4.4Å; E196-L200 WeakPolarHBondContact O-CB 3.26Å; E196-L200 WeakPolarHBondContact O-CG 3.46Å; E196-L200 PolarHBondContact O-N 2.98Å; I197-L200 PolarHBondContact O-N 3.27Å; L200-Q202 VanDerWaalsContact C-N 3.32Å; L200-Q202 PolarHBondContact O-N 2.95Å; L200-R203 PolarHBondContact O-N 3.3Å; L200-F204 WeakPolarHBondContact O-CB 3.43Å; L200-F204 PolarHBondContact O-N 2.94Å
201	R	96.4	Very high	96.3	Very high	165 Å²	165	103 Å²	103	62%	0.623	51%	0.505	S	S	*	.	H	α-helix	trans	-61.3	-39.4	174	-76.1	176.9	177.4	-171.9	1.3	112.1	I197 K198 L199 R205	I197-R201 HydrophobicContact CG2-CG 4.38Å; I197-R201 WeakPolarHBondContact O-CB 3.02Å; I197-R201 VanDerWaalsContact O-CG 3.24Å; I197-R201 WeakPolarHBondContact O-CG 3.32Å; I197-R201 PolarHBondContact O-N 3.15Å; K198-R201 PolarHBondContact O-N 3.07Å; L199-R201 PolarHBondContact O-N 3.41Å; R201-R205 WeakPolarHBondContact O-CG 3.44Å; R201-R205 PolarHBondContact O-N 3.27Å
202	Q	97	Very high	96.3	Very high	100 Å²	100	102.3 Å²	102.3	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-45.6	174.9	-176.7	179.3	-2.1	0	0	111.8	K198 L199 L200 F204 R205 N206	K198-Q202 PolarHBondContact O-N 2.95Å; L199-Q202 WeakPolarHBondContact O-CB 3.5Å; L199-Q202 PolarHBondContact O-N 3.02Å; L200-Q202 VanDerWaalsContact C-N 3.32Å; L200-Q202 PolarHBondContact O-N 2.95Å; Q202-F204 VanDerWaalsContact C-N 3.32Å; Q202-F204 PolarHBondContact O-N 3.32Å; Q202-R205 PolarHBondContact O-N 2.93Å; Q202-N206 PolarHBondContact O-N 2.98Å; Q202-N206 PolarHBondContact O-OD1 2.95Å
203	R	97.7	Very high	96.3	Very high	147 Å²	147	106 Å²	106	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-59.1	-44	176.1	-72.1	178.6	178	-172.1	0.6	111.7	L199 L200 R205 N206 V207	L199-R203 WeakPolarHBondContact O-CG 3.49Å; L199-R203 PolarHBondContact O-N 2.92Å; L200-R203 PolarHBondContact O-N 3.3Å; R203-R205 PolarHBondContact O-N 3.16Å; R203-N206 PolarHBondContact O-N 2.74Å; R203-V207 WeakPolarHBondContact O-CG2 3.48Å; R203-V207 PolarHBondContact O-N 3.04Å
204	F	96.5	Very high	96.4	Very high	153 Å²	153	111.2 Å²	111.2	67%	0.671	52%	0.521	S	S	*	.	H	α-helix	trans	-60.5	-43.6	176.5	-175.8	-93.5	0	0	0	112.1	L200 Q202 V207 S208	L200-F204 WeakPolarHBondContact O-CB 3.43Å; L200-F204 PolarHBondContact O-N 2.94Å; Q202-F204 VanDerWaalsContact C-N 3.32Å; Q202-F204 PolarHBondContact O-N 3.32Å; F204-V207 PolarHBondContact O-N 3.21Å; F204-S208 VanDerWaalsContact O-CB 3.26Å; F204-S208 WeakPolarHBondContact O-CB 3.27Å; F204-S208 PolarHBondContact O-N 3.42Å
205	R	97.3	Very high	96.4	Very high	142 Å²	142	110 Å²	110	54%	0.536	52%	0.524	S	S	.	.	H	α-helix	trans	-59.5	-48.6	174	-75.9	-172	-61.9	-116.6	0.4	112	R201 Q202 R203 V207 S208 D209	R201-R205 WeakPolarHBondContact O-CG 3.44Å; R201-R205 PolarHBondContact O-N 3.27Å; Q202-R205 PolarHBondContact O-N 2.93Å; R203-R205 PolarHBondContact O-N 3.16Å; R205-V207 PolarHBondContact O-N 3.08Å; R205-S208 WeakPolarHBondContact O-CB 3.45Å; R205-S208 PolarHBondContact O-N 3.09Å; R205-S208 VanDerWaalsContact O-N 3.15Å; R205-D209 PolarHBondContact O-N 3.16Å
206	N	95.9	Very high	96.4	Very high	79 Å²	79	112.1 Å²	112.1	42%	0.422	53%	0.526	S	S	.	.	H	α-helix	trans	-58.3	-47.3	179.9	-66.1	-1.9	0	0	0	111.7	Q202 R203 S208 D209 E210	Q202-N206 PolarHBondContact O-N 2.98Å; Q202-N206 PolarHBondContact O-OD1 2.95Å; R203-N206 PolarHBondContact O-N 2.74Å; N206-S208 VanDerWaalsContact C-N 3.33Å; N206-S208 PolarHBondContact O-N 3.06Å; N206-D209 PolarHBondContact O-N 3.32Å; N206-E210 WeakPolarHBondContact O-CG 3.49Å; N206-E210 PolarHBondContact O-N 3.42Å
207	V	96.6	Very high	96.4	Very high	90 Å²	90	109.4 Å²	109.4	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-37.7	177.7	173.3	0	0	0	0	111.5	R203 F204 R205 E210 M211	R203-V207 WeakPolarHBondContact O-CG2 3.48Å; R203-V207 PolarHBondContact O-N 3.04Å; F204-V207 PolarHBondContact O-N 3.21Å; R205-V207 PolarHBondContact O-N 3.08Å; V207-E210 PolarHBondContact O-N 3.04Å; V207-M211 WeakPolarHBondContact O-CB 3.44Å; V207-M211 PolarHBondContact O-N 3.41Å
208	S	96.6	Very high	96.2	Very high	62 Å²	62	109.9 Å²	109.9	43%	0.434	52%	0.518	S	S	.	.	H	α-helix	trans	-64.8	-40.9	175.7	-172.2	0	0	0	0	112	F204 R205 N206 M211 S212	F204-S208 VanDerWaalsContact O-CB 3.26Å; F204-S208 WeakPolarHBondContact O-CB 3.27Å; F204-S208 PolarHBondContact O-N 3.42Å; R205-S208 WeakPolarHBondContact O-CB 3.45Å; R205-S208 PolarHBondContact O-N 3.09Å; R205-S208 VanDerWaalsContact O-N 3.15Å; N206-S208 VanDerWaalsContact C-N 3.33Å; N206-S208 PolarHBondContact O-N 3.06Å; S208-M211 PolarHBondContact O-N 3.07Å; S208-S212 PolarHBondContact O-N 3.27Å
209	D	96.8	Very high	96.1	Very high	95 Å²	95	106.5 Å²	106.5	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-67	-41.7	175.6	-72	-23.4	0	0	0	111.6	R205 N206 S212 R213	R205-D209 PolarHBondContact O-N 3.16Å; N206-D209 PolarHBondContact O-N 3.32Å; D209-S212 WeakPolarHBondContact O-CB 3.25Å; D209-S212 PolarHBondContact O-N 3.4Å; D209-R213 WeakPolarHBondContact O-CG 3.43Å; D209-R213 PolarHBondContact O-N 3.47Å
210	E	96.2	Very high	96.1	Very high	99 Å²	99	108 Å²	108	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-46.5	173.1	-76.2	174.6	-163.1	0	0	111.4	N206 V207 S212 R213 Y214	N206-E210 WeakPolarHBondContact O-CG 3.49Å; N206-E210 PolarHBondContact O-N 3.42Å; V207-E210 PolarHBondContact O-N 3.04Å; E210-S212 VanDerWaalsContact C-N 3.28Å; E210-S212 PolarHBondContact O-N 3.29Å; E210-R213 WeakPolarHBondContact O-CB 3.29Å; E210-R213 PolarHBondContact O-N 2.81Å; E210-R213 VanDerWaalsContact O-N 3.11Å; E210-Y214 HydrophobicContact CB-CD2 4.42Å; E210-Y214 HydrophobicContact CB-CE2 4.2Å; E210-Y214 WeakPolarHBondContact O-CD2 3.3Å; E210-Y214 PolarHBondContact O-N 3.36Å
211	M	95	Very high	95.9	Very high	132 Å²	132	109.9 Å²	109.9	65%	0.65	52%	0.523	S	S	*	.	H	α-helix	trans	-60	-40.3	176.1	-172.3	63.3	-178.2	0	0	111.5	V207 S208 S215	V207-M211 WeakPolarHBondContact O-CB 3.44Å; V207-M211 PolarHBondContact O-N 3.41Å; S208-M211 PolarHBondContact O-N 3.07Å; M211-S215 VanDerWaalsContact O-CB 3.26Å; M211-S215 WeakPolarHBondContact O-CB 3.37Å; M211-S215 PolarHBondContact O-N 3.23Å
212	S	96.3	Very high	95.7	Very high	53 Å²	53	110 Å²	110	37%	0.371	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-40.6	174.5	-168.3	0	0	0	0	112.1	S208 D209 E210 K216	S208-S212 PolarHBondContact O-N 3.27Å; D209-S212 WeakPolarHBondContact O-CB 3.25Å; D209-S212 PolarHBondContact O-N 3.4Å; E210-S212 VanDerWaalsContact C-N 3.28Å; E210-S212 PolarHBondContact O-N 3.29Å; S212-K216 WeakPolarHBondContact O-CG 3.43Å; S212-K216 PolarHBondContact O-N 3.46Å
213	R	96.3	Very high	95.6	Very high	179 Å²	179	108.6 Å²	108.6	68%	0.675	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-52.4	175.3	-73.6	172.4	-178	-110.8	3	111.3	D209 E210 S215 K216 D217	D209-R213 WeakPolarHBondContact O-CG 3.43Å; D209-R213 PolarHBondContact O-N 3.47Å; E210-R213 WeakPolarHBondContact O-CB 3.29Å; E210-R213 PolarHBondContact O-N 2.81Å; E210-R213 VanDerWaalsContact O-N 3.11Å; R213-S215 VanDerWaalsContact C-N 3.29Å; R213-S215 PolarHBondContact O-N 2.94Å; R213-K216 PolarHBondContact O-N 2.96Å; R213-K216 VanDerWaalsContact O-N 3.13Å; R213-D217 PolarHBondContact O-N 3.48Å
214	Y	95.5	Very high	95.5	Very high	152 Å²	152	107 Å²	107	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-60.8	-37.7	178.3	-70.2	-56.6	0	0	0	112.5	E210 D217 N218	E210-Y214 HydrophobicContact CB-CD2 4.42Å; E210-Y214 HydrophobicContact CB-CE2 4.2Å; E210-Y214 WeakPolarHBondContact O-CD2 3.3Å; E210-Y214 PolarHBondContact O-N 3.36Å; Y214-D217 PolarHBondContact O-N 3.21Å; Y214-N218 VanDerWaalsContact O-CB 3.25Å; Y214-N218 WeakPolarHBondContact O-CB 3.37Å; Y214-N218 VanDerWaalsContact O-CG 3.31Å; Y214-N218 PolarHBondContact O-N 3.01Å; Y214-N218 PolarHBondContact O-ND2 3.3Å
215	S	96.2	Very high	95.3	Very high	74 Å²	74	104.9 Å²	104.9	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-44.1	174.6	-180	0	0	0	0	112.2	M211 R213 A219	M211-S215 VanDerWaalsContact O-CB 3.26Å; M211-S215 WeakPolarHBondContact O-CB 3.37Å; M211-S215 PolarHBondContact O-N 3.23Å; R213-S215 VanDerWaalsContact C-N 3.29Å; R213-S215 PolarHBondContact O-N 2.94Å; S215-A219 PolarHBondContact O-N 2.99Å
216	K	96.6	Very high	95.1	Very high	129 Å²	129	104 Å²	104	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-66.2	-43	176.4	-73.7	172.9	-176	173.8	0	112.3	S212 R213 A219 K220	S212-K216 WeakPolarHBondContact O-CG 3.43Å; S212-K216 PolarHBondContact O-N 3.46Å; R213-K216 PolarHBondContact O-N 2.96Å; R213-K216 VanDerWaalsContact O-N 3.13Å; K216-A219 WeakPolarHBondContact O-CB 3.36Å; K216-A219 PolarHBondContact O-N 2.99Å; K216-K220 WeakPolarHBondContact O-CG 3.5Å; K216-K220 PolarHBondContact O-N 3.47Å
217	D	96.3	Very high	94.9	Very high	60 Å²	60	106 Å²	106	32%	0.321	52%	0.52	S	S	.	.	H	α-helix	trans	-70.7	-38.8	-179	-68.6	-21.3	0	0	0	111.2	R213 Y214 A219 K220 F221	R213-D217 PolarHBondContact O-N 3.48Å; Y214-D217 PolarHBondContact O-N 3.21Å; D217-A219 VanDerWaalsContact C-N 3.3Å; D217-A219 PolarHBondContact O-N 2.92Å; D217-K220 PolarHBondContact O-N 2.95Å; D217-K220 IonicContact OD1-NZ 3.72Å; D217-K220 PolarHBondContact OD1-NZ 3.23Å; D217-F221 HydrophobicContact CB-CE2 4.23Å; D217-F221 WeakPolarHBondContact O-CD2 3.24Å; D217-F221 WeakPolarHBondContact O-CG 3.49Å; D217-F221 PolarHBondContact O-N 2.88Å
218	N	91.8	Very high	94.7	Very high	94 Å²	94	104 Å²	104	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-57.8	-43	168.9	-81.2	-23.3	0	0	0	111.8	Y214 K220 F221 W222	Y214-N218 VanDerWaalsContact O-CB 3.25Å; Y214-N218 WeakPolarHBondContact O-CB 3.37Å; Y214-N218 VanDerWaalsContact O-CG 3.31Å; Y214-N218 PolarHBondContact O-N 3.01Å; Y214-N218 PolarHBondContact O-ND2 3.3Å; N218-K220 VanDerWaalsContact C-N 3.34Å; N218-K220 PolarHBondContact O-N 3.1Å; N218-F221 PolarHBondContact O-N 2.99Å; N218-W222 WeakPolarHBondContact O-CB 3.39Å; N218-W222 PolarHBondContact O-N 3.35Å
219	A	94.4	Very high	94.5	Very high	61 Å²	61	110.2 Å²	110.2	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-40.2	176.7	0	0	0	0	0	112.4	S215 K216 D217 W222 D223	S215-A219 PolarHBondContact O-N 2.99Å; K216-A219 WeakPolarHBondContact O-CB 3.36Å; K216-A219 PolarHBondContact O-N 2.99Å; D217-A219 VanDerWaalsContact C-N 3.3Å; D217-A219 PolarHBondContact O-N 2.92Å; A219-W222 PolarHBondContact O-N 2.75Å; A219-D223 PolarHBondContact O-N 3.07Å; A219-D223 VanDerWaalsContact O-N 3.1Å
220	K	95.6	Very high	94.1	Very high	113 Å²	113	109.5 Å²	109.5	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-64.7	-46.7	174.1	-68.2	172	-169.6	160.1	0	112	K216 D217 N218 W222 D223 E224	K216-K220 WeakPolarHBondContact O-CG 3.5Å; K216-K220 PolarHBondContact O-N 3.47Å; D217-K220 PolarHBondContact O-N 2.95Å; D217-K220 IonicContact OD1-NZ 3.72Å; D217-K220 PolarHBondContact OD1-NZ 3.23Å; N218-K220 VanDerWaalsContact C-N 3.34Å; N218-K220 PolarHBondContact O-N 3.1Å; K220-W222 PolarHBondContact O-N 2.96Å; K220-D223 PolarHBondContact O-N 3.48Å; K220-D223 VanDerWaalsContact O-N 3.13Å; K220-E224 WeakPolarHBondContact O-CB 3.2Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 3.45Å
221	F	93	Very high	93.9	Very high	129 Å²	129	109.4 Å²	109.4	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-60.5	-37.3	177.7	-69.2	-47.5	0	0	0	111.8	D217 N218 L225	D217-F221 HydrophobicContact CB-CE2 4.23Å; D217-F221 WeakPolarHBondContact O-CD2 3.24Å; D217-F221 WeakPolarHBondContact O-CG 3.49Å; D217-F221 PolarHBondContact O-N 2.88Å; N218-F221 PolarHBondContact O-N 2.99Å; F221-L225 WeakPolarHBondContact O-CB 3.4Å; F221-L225 PolarHBondContact O-N 3.24Å
222	W	92.9	Very high	93.7	Very high	167 Å²	167	106.9 Å²	106.9	63%	0.633	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-43.7	173.4	-86.2	112.6	0	0	0	112.8	N218 A219 K220 L225 Q226	N218-W222 WeakPolarHBondContact O-CB 3.39Å; N218-W222 PolarHBondContact O-N 3.35Å; A219-W222 PolarHBondContact O-N 2.75Å; K220-W222 PolarHBondContact O-N 2.96Å; W222-L225 HydrophobicContact CE3-CD2 4.39Å; W222-L225 HydrophobicContact CZ3-CD2 4.32Å; W222-Q226 WeakPolarHBondContact O-CG 3.39Å; W222-Q226 PolarHBondContact O-N 3.42Å
223	D	94.8	Very high	93.2	Very high	71 Å²	71	110.3 Å²	110.3	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-66.4	-45.4	176.7	178.3	55.5	0	0	0	112.1	A219 K220 L225 Q226 K227	A219-D223 PolarHBondContact O-N 3.07Å; A219-D223 VanDerWaalsContact O-N 3.1Å; K220-D223 PolarHBondContact O-N 3.48Å; K220-D223 VanDerWaalsContact O-N 3.13Å; D223-L225 PolarHBondContact O-N 3.3Å; D223-Q226 PolarHBondContact O-N 3.19Å; D223-K227 WeakPolarHBondContact O-CG 3.45Å; D223-K227 PolarHBondContact O-N 2.95Å; D223-K227 WeakPolarHBondContact OD1-CE 3.49Å; D223-K227 IonicContact OD1-NZ 2.64Å; D223-K227 WeakPolarHBondContact OD2-CE 3.3Å; D223-K227 IonicContact OD2-NZ 3.95Å; D223-K227 PolarHBondContact OD2-NZ 3Å
224	E	94.3	Very high	92.7	Very high	114 Å²	114	109.5 Å²	109.5	53%	0.533	53%	0.534	S	S	.	.	H	α-helix	trans	-62.1	-43	175.9	-73.9	178.4	-173.5	0	0	111.9	K220 Q226 K227 A228	K220-E224 WeakPolarHBondContact O-CB 3.2Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 3.45Å; E224-Q226 VanDerWaalsContact C-N 3.34Å; E224-Q226 PolarHBondContact O-N 2.87Å; E224-K227 PolarHBondContact O-N 2.83Å; E224-A228 VanDerWaalsContact O-CB 3.32Å; E224-A228 WeakPolarHBondContact O-CB 3.45Å; E224-A228 PolarHBondContact O-N 2.82Å
225	L	92.9	Very high	92.4	Very high	107 Å²	107	111 Å²	111	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-62.4	-41.1	176.3	-176.7	65.9	0	0	0	111.3	F221 W222 D223 R229	F221-L225 WeakPolarHBondContact O-CB 3.4Å; F221-L225 PolarHBondContact O-N 3.24Å; W222-L225 HydrophobicContact CE3-CD2 4.39Å; W222-L225 HydrophobicContact CZ3-CD2 4.32Å; D223-L225 PolarHBondContact O-N 3.3Å; L225-R229 VanDerWaalsContact O-CB 3.22Å; L225-R229 WeakPolarHBondContact O-CB 3.45Å; L225-R229 PolarHBondContact O-N 2.94Å
226	Q	92.4	Very high	91.8	Very high	125 Å²	125	113 Å²	113	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-65.6	-40.9	175.5	-77.8	-170.3	-8.8	0	0	112.6	W222 D223 E224 S230	W222-Q226 WeakPolarHBondContact O-CG 3.39Å; W222-Q226 PolarHBondContact O-N 3.42Å; D223-Q226 PolarHBondContact O-N 3.19Å; E224-Q226 VanDerWaalsContact C-N 3.34Å; E224-Q226 PolarHBondContact O-N 2.87Å; Q226-S230 WeakPolarHBondContact O-CB 3.3Å; Q226-S230 PolarHBondContact O-N 2.99Å; Q226-S230 PolarHBondContact O-OG 2.83Å
227	K	93.1	Very high	91.2	Very high	120 Å²	120	113.6 Å²	113.6	52%	0.522	54%	0.54	S	S	.	.	H	α-helix	trans	-63.8	-49.6	175	-73.5	168.6	176.4	168.1	0	111.3	D223 E224 R229 S230 V231	D223-K227 WeakPolarHBondContact O-CG 3.45Å; D223-K227 PolarHBondContact O-N 2.95Å; D223-K227 WeakPolarHBondContact OD1-CE 3.49Å; D223-K227 IonicContact OD1-NZ 2.64Å; D223-K227 WeakPolarHBondContact OD2-CE 3.3Å; D223-K227 IonicContact OD2-NZ 3.95Å; D223-K227 PolarHBondContact OD2-NZ 3Å; E224-K227 PolarHBondContact O-N 2.83Å; K227-R229 VanDerWaalsContact C-N 3.32Å; K227-R229 PolarHBondContact O-N 2.86Å; K227-S230 PolarHBondContact O-N 3.36Å; K227-S230 VanDerWaalsContact O-N 3.14Å; K227-V231 WeakPolarHBondContact O-CG2 3.21Å; K227-V231 PolarHBondContact O-N 3.13Å
228	A	91.8	Very high	90.5	Very high	47 Å²	47	117.3 Å²	117.3	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-60.7	-42.1	178.4	0	0	0	0	0	111.5	E224 S230 V231 N232	E224-A228 VanDerWaalsContact O-CB 3.32Å; E224-A228 WeakPolarHBondContact O-CB 3.45Å; E224-A228 PolarHBondContact O-N 2.82Å; A228-S230 PolarHBondContact O-N 3.08Å; A228-V231 PolarHBondContact O-N 3.13Å; A228-N232 WeakPolarHBondContact O-CB 3.41Å; A228-N232 PolarHBondContact O-N 3.26Å; A228-N232 PolarHBondContact O-ND2 3.45Å
229	R	92.1	Very high	90.1	Very high	193 Å²	193	117.4 Å²	117.4	73%	0.728	55%	0.545	S	S	*	.	H	α-helix	trans	-58.5	-46.1	173.5	-174.6	177.9	-176.5	-179.5	1.4	111.6	L225 K227 L233	L225-R229 VanDerWaalsContact O-CB 3.22Å; L225-R229 WeakPolarHBondContact O-CB 3.45Å; L225-R229 PolarHBondContact O-N 2.94Å; K227-R229 VanDerWaalsContact C-N 3.32Å; K227-R229 PolarHBondContact O-N 2.86Å; R229-L233 WeakPolarHBondContact O-CB 3.43Å; R229-L233 PolarHBondContact O-N 3.44Å
230	S	89.6	Confident	89.3	Confident	80 Å²	80	119.7 Å²	119.7	56%	0.559	55%	0.548	S	S	*	.	H	α-helix	trans	-65.2	-43	179.7	-58.1	0	0	0	0	112.5	Q226 K227 A228 L233 R234	Q226-S230 WeakPolarHBondContact O-CB 3.3Å; Q226-S230 PolarHBondContact O-N 2.99Å; Q226-S230 PolarHBondContact O-OG 2.83Å; K227-S230 PolarHBondContact O-N 3.36Å; K227-S230 VanDerWaalsContact O-N 3.14Å; A228-S230 PolarHBondContact O-N 3.08Å; S230-L233 PolarHBondContact O-N 3.17Å; S230-R234 PolarHBondContact O-N 2.91Å; S230-R234 VanDerWaalsContact O-N 3.08Å
231	V	91.7	Very high	88.4	Confident	97 Å²	97	119.7 Å²	119.7	59%	0.588	55%	0.548	S	S	*	.	H	α-helix	trans	-65.2	-46.3	177.2	172.5	0	0	0	0	111.1	K227 A228 L233 R234 R235	K227-V231 WeakPolarHBondContact O-CG2 3.21Å; K227-V231 PolarHBondContact O-N 3.13Å; A228-V231 PolarHBondContact O-N 3.13Å; V231-L233 PolarHBondContact O-N 3.37Å; V231-R234 WeakPolarHBondContact O-CB 3.39Å; V231-R234 PolarHBondContact O-N 3.13Å; V231-R235 PolarHBondContact O-N 2.86Å
232	N	89.7	Confident	87.8	Confident	79 Å²	79	118.2 Å²	118.2	42%	0.422	54%	0.543	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177.5	-86.6	-36.2	0	0	0	111.6	A228 R234 R235 H236	A228-N232 WeakPolarHBondContact O-CB 3.41Å; A228-N232 PolarHBondContact O-N 3.26Å; A228-N232 PolarHBondContact O-ND2 3.45Å; N232-R234 VanDerWaalsContact C-N 3.26Å; N232-R234 PolarHBondContact O-N 2.94Å; N232-R235 PolarHBondContact O-N 3.42Å; N232-R235 VanDerWaalsContact O-N 3.15Å; N232-H236 PolarHBondContact O-CD2 2.96Å; N232-H236 PolarHBondContact O-N 3.31Å
233	L	86	Confident	86.8	Confident	126 Å²	126	114.8 Å²	114.8	66%	0.66	54%	0.537	S	S	*	.	H	α-helix	trans	-59.3	-40.2	176.7	-147.8	73.5	0	0	0	111.5	R229 S230 V231 Y237	R229-L233 WeakPolarHBondContact O-CB 3.43Å; R229-L233 PolarHBondContact O-N 3.44Å; S230-L233 PolarHBondContact O-N 3.17Å; V231-L233 PolarHBondContact O-N 3.37Å; L233-Y237 WeakPolarHBondContact O-CB 3.3Å; L233-Y237 PolarHBondContact O-N 3.3Å
234	R	86.5	Confident	85.6	Confident	161 Å²	161	118.2 Å²	118.2	61%	0.608	55%	0.55	S	S	*	*	H	α-helix	trans	-65.2	-44.3	174.9	-157.8	80.7	-178.3	174.7	3.1	111.9	S230 V231 N232 Y237 W238	S230-R234 PolarHBondContact O-N 2.91Å; S230-R234 VanDerWaalsContact O-N 3.08Å; V231-R234 WeakPolarHBondContact O-CB 3.39Å; V231-R234 PolarHBondContact O-N 3.13Å; N232-R234 VanDerWaalsContact C-N 3.26Å; N232-R234 PolarHBondContact O-N 2.94Å; R234-Y237 PolarHBondContact O-N 2.97Å; R234-W238 PolarHBondContact O-N 3.39Å
235	R	88.5	Confident	84.4	Confident	183 Å²	183	116 Å²	116	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-64.5	-44.8	180	-168.1	-178.1	-175.3	-161.4	1.9	111.5	V231 N232 W238 K239	V231-R235 PolarHBondContact O-N 2.86Å; N232-R235 PolarHBondContact O-N 3.42Å; N232-R235 VanDerWaalsContact O-N 3.15Å; R235-W238 PolarHBondContact O-N 3.36Å; R235-K239 WeakPolarHBondContact O-CB 3.43Å; R235-K239 PolarHBondContact O-N 3.06Å
236	H	84.9	Confident	82.9	Confident	117 Å²	117	116 Å²	116	54%	0.542	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-44.4	175.4	-73.5	-62.7	0	0	0	111.4	N232 W238 K239 I240	N232-H236 PolarHBondContact O-CD2 2.96Å; N232-H236 PolarHBondContact O-N 3.31Å; H236-W238 VanDerWaalsContact C-N 3.33Å; H236-W238 PolarHBondContact O-N 2.87Å; H236-K239 PolarHBondContact O-N 2.86Å; H236-I240 WeakPolarHBondContact O-CB 3.24Å; H236-I240 WeakPolarHBondContact O-CD1 3.42Å; H236-I240 WeakPolarHBondContact O-CG1 3.22Å; H236-I240 PolarHBondContact O-N 3.23Å
237	Y	83	Confident	81.3	Confident	141 Å²	141	117.5 Å²	117.5	55%	0.553	56%	0.562	S	S	*	*	H	α-helix	trans	-56.4	-45.6	175.5	-178.8	-94.8	0	0	0	112.4	L233 R234 K241	L233-Y237 WeakPolarHBondContact O-CB 3.3Å; L233-Y237 PolarHBondContact O-N 3.3Å; R234-Y237 PolarHBondContact O-N 2.97Å; Y237-K241 PolarHBondContact O-N 3.03Å
238	W	81	Confident	79.6	Confident	139 Å²	139	116.8 Å²	116.8	53%	0.527	57%	0.572	S	S	.	*	H	α-helix	trans	-68.2	-42.8	177.1	-78	117.7	0	0	0	113.4	R234 R235 H236 I240 K241 E242	R234-W238 PolarHBondContact O-N 3.39Å; R235-W238 PolarHBondContact O-N 3.36Å; H236-W238 VanDerWaalsContact C-N 3.33Å; H236-W238 PolarHBondContact O-N 2.87Å; W238-I240 VanDerWaalsContact C-N 3.34Å; W238-I240 PolarHBondContact O-N 2.86Å; W238-K241 HydrophobicContact CE3-CD 4.33Å; W238-K241 HydrophobicContact CZ3-CD 4.23Å; W238-K241 WeakPolarHBondContact O-CB 3.25Å; W238-K241 PolarHBondContact O-N 2.98Å; W238-K241 VanDerWaalsContact O-N 3.14Å; W238-E242 PolarHBondContact O-N 3.35Å
239	K	83.1	Confident	77.5	Confident	95 Å²	95	124.7 Å²	124.7	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-66.6	-38.4	-178.8	-171.5	58.9	-179.9	178.2	0	111.8	R235 H236 K241 E242 L243	R235-K239 WeakPolarHBondContact O-CB 3.43Å; R235-K239 PolarHBondContact O-N 3.06Å; H236-K239 PolarHBondContact O-N 2.86Å; K239-K241 VanDerWaalsContact C-N 3.29Å; K239-K241 PolarHBondContact O-N 3.21Å; K239-E242 WeakPolarHBondContact CD-OE2 3.29Å; K239-E242 IonicContact NZ-OE1 3.94Å; K239-E242 IonicContact NZ-OE2 2.73Å; K239-E242 PolarHBondContact NZ-OE2 2.99Å; K239-E242 PolarHBondContact O-N 3.39Å; K239-L243 HydrophobicContact CD-CD1 4.4Å; K239-L243 HydrophobicContact CD-CG 4.23Å; K239-L243 HydrophobicContact CG-CD1 3.97Å; K239-L243 HydrophobicContact CG-CG 4.28Å; K239-L243 WeakPolarHBondContact O-CB 3.35Å; K239-L243 VanDerWaalsContact O-CG 3.28Å; K239-L243 WeakPolarHBondContact O-CG 3.38Å; K239-L243 PolarHBondContact O-N 2.8Å
240	I	78	Confident	74.9	Confident	109 Å²	109	123.2 Å²	123.2	56%	0.559	59%	0.594	S	S	*	*	H	α-helix	trans	-58.7	-45	172.4	-69.7	165.4	0	0	0	109.8	H236 W238 E242 Q244	H236-I240 WeakPolarHBondContact O-CB 3.24Å; H236-I240 WeakPolarHBondContact O-CD1 3.42Å; H236-I240 WeakPolarHBondContact O-CG1 3.22Å; H236-I240 PolarHBondContact O-N 3.23Å; W238-I240 VanDerWaalsContact C-N 3.34Å; W238-I240 PolarHBondContact O-N 2.86Å; I240-E242 PolarHBondContact O-N 3.36Å; I240-Q244 VanDerWaalsContact O-CB 3.3Å; I240-Q244 WeakPolarHBondContact O-CB 3.34Å; I240-Q244 PolarHBondContact O-N 2.79Å
241	K	78.1	Confident	72.6	Confident	114 Å²	114	124.3 Å²	124.3	50%	0.496	60%	0.599	S	S	.	*	H	α-helix	trans	-65.1	-38.9	178.4	-165.2	173.7	-175.7	176.3	0	113.2	Y237 W238 K239 A245	Y237-K241 PolarHBondContact O-N 3.03Å; W238-K241 HydrophobicContact CE3-CD 4.33Å; W238-K241 HydrophobicContact CZ3-CD 4.23Å; W238-K241 WeakPolarHBondContact O-CB 3.25Å; W238-K241 PolarHBondContact O-N 2.98Å; W238-K241 VanDerWaalsContact O-N 3.14Å; K239-K241 VanDerWaalsContact C-N 3.29Å; K239-K241 PolarHBondContact O-N 3.21Å; K241-A245 PolarHBondContact O-N 3.25Å
242	E	79.8	Confident	70.4	Confident	98 Å²	98	125.9 Å²	125.9	46%	0.458	61%	0.609	S	S	.	*	H	α-helix	trans	-68.8	-48.2	177.1	-174.7	-167.6	-164.9	0	0	111.9	W238 K239 I240 Q244 A245 L246	W238-E242 PolarHBondContact O-N 3.35Å; K239-E242 WeakPolarHBondContact CD-OE2 3.29Å; K239-E242 IonicContact NZ-OE1 3.94Å; K239-E242 IonicContact NZ-OE2 2.73Å; K239-E242 PolarHBondContact NZ-OE2 2.99Å; K239-E242 PolarHBondContact O-N 3.39Å; I240-E242 PolarHBondContact O-N 3.36Å; E242-Q244 PolarHBondContact O-N 2.85Å; E242-A245 WeakPolarHBondContact O-CA 3.44Å; E242-A245 WeakPolarHBondContact O-CB 3.25Å; E242-A245 PolarHBondContact O-N 3.42Å; E242-L246 HydrophobicContact CG-CD1 4.16Å; E242-L246 PolarHBondContact O-N 2.91Å
243	L	72.5	Confident	68.3	Low	95 Å²	95	130 Å²	130	50%	0.497	63%	0.63	S	S	.	*	H	α-helix	trans	-61.4	-36.6	178.1	-72.1	172.6	0	0	0	111.4	K239 A245 L246 L247	K239-L243 HydrophobicContact CD-CD1 4.4Å; K239-L243 HydrophobicContact CD-CG 4.23Å; K239-L243 HydrophobicContact CG-CD1 3.97Å; K239-L243 HydrophobicContact CG-CG 4.28Å; K239-L243 WeakPolarHBondContact O-CB 3.35Å; K239-L243 VanDerWaalsContact O-CG 3.28Å; K239-L243 WeakPolarHBondContact O-CG 3.38Å; K239-L243 PolarHBondContact O-N 2.8Å; L243-A245 PolarHBondContact O-N 2.8Å; L243-L246 PolarHBondContact O-N 2.72Å; L243-L247 PolarHBondContact O-N 2.91Å
244	Q	68.7	Low	66.7	Low	143 Å²	143	126.7 Å²	126.7	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-62.5	-29.1	173.9	-167.6	174	3	0	0	112.5	I240 E242	I240-Q244 VanDerWaalsContact O-CB 3.3Å; I240-Q244 WeakPolarHBondContact O-CB 3.34Å; I240-Q244 PolarHBondContact O-N 2.79Å; E242-Q244 PolarHBondContact O-N 2.85Å
245	A	68.2	Low	65	Low	66 Å²	66	126.6 Å²	126.6	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-80.9	-41.5	176.5	0	0	0	0	0	112.9	K241 E242 L243 L247 S248	K241-A245 PolarHBondContact O-N 3.25Å; E242-A245 WeakPolarHBondContact O-CA 3.44Å; E242-A245 WeakPolarHBondContact O-CB 3.25Å; E242-A245 PolarHBondContact O-N 3.42Å; L243-A245 PolarHBondContact O-N 2.8Å; A245-L247 PolarHBondContact O-N 2.86Å; A245-S248 WeakPolarHBondContact O-CB 3.47Å; A245-S248 PolarHBondContact O-N 2.91Å
246	L	63.1	Low	63.5	Low	107 Å²	107	123.1 Å²	123.1	56%	0.56	61%	0.607	S	S	*	*	H	α-helix	trans	-67.4	-33.6	-178.3	-75.9	165.2	0	0	0	113.1	E242 L243 S248 R249	E242-L246 HydrophobicContact CG-CD1 4.16Å; E242-L246 PolarHBondContact O-N 2.91Å; L243-L246 PolarHBondContact O-N 2.72Å; L246-S248 PolarHBondContact O-N 2.84Å; L246-R249 PolarHBondContact O-N 2.85Å
247	L	58.2	Low	62.6	Low	157 Å²	157	123.9 Å²	123.9	82%	0.822	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-15.5	177.2	-162.5	71.3	0	0	0	113.1	L243 A245 R249	L243-L247 PolarHBondContact O-N 2.91Å; A245-L247 PolarHBondContact O-N 2.86Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.8Å
248	S	57.3	Low	61.5	Low	105 Å²	105	122.4 Å²	122.4	73%	0.734	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	6.2	-177.8	-58	0	0	0	0	114.2	A245 L246	A245-S248 WeakPolarHBondContact O-CB 3.47Å; A245-S248 PolarHBondContact O-N 2.91Å; L246-S248 PolarHBondContact O-N 2.84Å
249	R	46.8	Very low	61	Low	213 Å²	213	120.5 Å²	120.5	80%	0.804	60%	0.601	S	S	*	*			trans	-149.5	77.9	-172.1	-174.8	-176.6	160	174.4	-4.9	112.6	L246 L247	L246-R249 PolarHBondContact O-N 2.85Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.8Å
250	E	38.9	Very low	60.4	Low	163 Å²	163	121 Å²	121	76%	0.762	61%	0.609	S	S	*	*			trans	-144.2	125.9	166.8	-85.8	-55.4	151	0	0	112.7
251	P	41.7	Very low	60.2	Low	102 Å²	102	120.1 Å²	120.1	66%	0.662	60%	0.602	S	S	*	*			trans	-97.5	160.8	170.6	32.5	-21.7	0	0	0	113.6
252	T	43.9	Very low	60.2	Low	130 Å²	130	119.9 Å²	119.9	80%	0.798	61%	0.606	S	S	*	*	S	Bend	trans	-99.8	14.9	-141.8	-19.8	0	0	0	0	117.3	T254	T252-T254 PolarHBondContact O-N 2.84Å
253	D	45.8	Very low	60.3	Low	165 Å²	165	118.1 Å²	118.1	88%	0.882	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	39.8	-166.2	-149.6	14.1	0	0	0	115.2
254	T	51.9	Low	60.9	Low	57 Å²	57	116.4 Å²	116.4	35%	0.35	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.3	11	-173.7	34.3	0	0	0	0	111.7	T252 E256 F257 F258	T252-T254 PolarHBondContact O-N 2.84Å; T254-E256 PolarHBondContact O-N 3.31Å; T254-F257 PolarHBondContact O-N 3.27Å; T254-F258 VanDerWaalsContact CB-CD2 3.49Å; T254-F258 HydrophobicContact CG2-CE2 4.31Å; T254-F258 WeakPolarHBondContact O-CB 3.32Å; T254-F258 WeakPolarHBondContact O-CD2 3.29Å; T254-F258 WeakPolarHBondContact O-CG 3.43Å; T254-F258 PolarHBondContact O-N 3.49Å; T254-F258 VanDerWaalsContact OG1-CD2 3.3Å; T254-F258 WeakPolarHBondContact OG1-CD2 3.3Å; T254-F258 WeakPolarHBondContact OG1-CE2 3.09Å
255	R	51.5	Low	61.7	Low	159 Å²	159	111.6 Å²	111.6	60%	0.6	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-36.9	-164.9	-155	-174.7	78.6	141	0.2	115.3	K259	R255-K259 PolarHBondContact O-N 3.3Å
256	E	58.2	Low	62.6	Low	111 Å²	111	111.2 Å²	111.2	52%	0.519	57%	0.574	S	S	.	*	H	α-helix	trans	-83.4	-33.7	-177.8	-62.7	-59.1	140.8	0	0	111.9	T254 K259 N260	T254-E256 PolarHBondContact O-N 3.31Å; E256-K259 PolarHBondContact O-N 3.14Å; E256-K259 IonicContact OE1-NZ 2.9Å; E256-K259 PolarHBondContact OE1-NZ 3.28Å; E256-K259 WeakPolarHBondContact OE2-CD 3.47Å; E256-K259 IonicContact OE2-NZ 3.4Å; E256-K259 PolarHBondContact OE2-NZ 2.9Å; E256-N260 PolarHBondContact O-N 3.31Å
257	F	65.9	Low	63.8	Low	133 Å²	133	112.5 Å²	112.5	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-59	-48.9	164.6	174.5	-101.4	0	0	0	110	T254 K259 N260 E261	T254-F257 PolarHBondContact O-N 3.27Å; F257-K259 VanDerWaalsContact C-N 3.34Å; F257-K259 PolarHBondContact O-N 3.18Å; F257-N260 PolarHBondContact O-N 2.78Å; F257-E261 HydrophobicContact CD1-CG 4.11Å; F257-E261 HydrophobicContact CD2-CG 4.17Å; F257-E261 HydrophobicContact CE1-CG 3.74Å; F257-E261 HydrophobicContact CE2-CG 3.81Å; F257-E261 HydrophobicContact CG-CG 4.31Å; F257-E261 HydrophobicContact CZ-CG 3.58Å; F257-E261 WeakPolarHBondContact O-CB 3.32Å; F257-E261 WeakPolarHBondContact O-CG 3.31Å; F257-E261 PolarHBondContact O-N 2.75Å
258	F	59.4	Low	65.4	Low	109 Å²	109	108.4 Å²	108.4	48%	0.478	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-31.5	176.6	-73.9	-44.1	0	0	0	114.1	T254 L262	T254-F258 VanDerWaalsContact CB-CD2 3.49Å; T254-F258 HydrophobicContact CG2-CE2 4.31Å; T254-F258 WeakPolarHBondContact O-CB 3.32Å; T254-F258 WeakPolarHBondContact O-CD2 3.29Å; T254-F258 WeakPolarHBondContact O-CG 3.43Å; T254-F258 PolarHBondContact O-N 3.49Å; T254-F258 VanDerWaalsContact OG1-CD2 3.3Å; T254-F258 WeakPolarHBondContact OG1-CD2 3.3Å; T254-F258 WeakPolarHBondContact OG1-CE2 3.09Å; F258-L262 WeakPolarHBondContact O-CA 3.21Å; F258-L262 WeakPolarHBondContact O-CB 3.36Å; F258-L262 PolarHBondContact O-N 2.92Å
259	K	69.6	Low	67	Low	100 Å²	100	107.8 Å²	107.8	44%	0.435	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-41.9	174.3	-88.3	179.6	-176.4	164.1	0	112.2	R255 E256 F257 L262 A263	R255-K259 PolarHBondContact O-N 3.3Å; E256-K259 PolarHBondContact O-N 3.14Å; E256-K259 IonicContact OE1-NZ 2.9Å; E256-K259 PolarHBondContact OE1-NZ 3.28Å; E256-K259 WeakPolarHBondContact OE2-CD 3.47Å; E256-K259 IonicContact OE2-NZ 3.4Å; E256-K259 PolarHBondContact OE2-NZ 2.9Å; F257-K259 VanDerWaalsContact C-N 3.34Å; F257-K259 PolarHBondContact O-N 3.18Å; K259-L262 PolarHBondContact O-N 3.03Å; K259-A263 WeakPolarHBondContact O-CB 3.32Å; K259-A263 PolarHBondContact O-N 2.94Å
260	N	70.1	Confident	69.2	Low	106 Å²	106	105.7 Å²	105.7	57%	0.567	53%	0.53	S	S	*	.	H	α-helix	trans	-71.7	-45.2	-179.5	-153.4	-22.4	0	0	0	110.4	E256 F257 L262 A263 L264	E256-N260 PolarHBondContact O-N 3.31Å; F257-N260 PolarHBondContact O-N 2.78Å; N260-L262 VanDerWaalsContact C-N 3.29Å; N260-L262 PolarHBondContact O-N 3.22Å; N260-A263 PolarHBondContact O-N 3.39Å; N260-A263 VanDerWaalsContact O-N 3.16Å; N260-L264 WeakPolarHBondContact O-CB 3.24Å; N260-L264 WeakPolarHBondContact O-CG 3.39Å; N260-L264 PolarHBondContact O-N 3.14Å
261	E	75.3	Confident	71.8	Confident	90 Å²	90	101.6 Å²	101.6	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-60.4	-37.2	170.7	-70.6	-61.9	133.2	0	0	112	F257 A265	F257-E261 HydrophobicContact CD1-CG 4.11Å; F257-E261 HydrophobicContact CD2-CG 4.17Å; F257-E261 HydrophobicContact CE1-CG 3.74Å; F257-E261 HydrophobicContact CE2-CG 3.81Å; F257-E261 HydrophobicContact CG-CG 4.31Å; F257-E261 HydrophobicContact CZ-CG 3.58Å; F257-E261 WeakPolarHBondContact O-CB 3.32Å; F257-E261 WeakPolarHBondContact O-CG 3.31Å; F257-E261 PolarHBondContact O-N 2.75Å; E261-A265 WeakPolarHBondContact O-CA 3.35Å; E261-A265 WeakPolarHBondContact O-CB 3.34Å; E261-A265 PolarHBondContact O-N 3.01Å
262	L	76.7	Confident	74.3	Confident	109 Å²	109	102.1 Å²	102.1	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-68.9	-39.4	175	-178.1	68.2	0	0	0	111.1	F258 K259 N260 A265 V266	F258-L262 WeakPolarHBondContact O-CA 3.21Å; F258-L262 WeakPolarHBondContact O-CB 3.36Å; F258-L262 PolarHBondContact O-N 2.92Å; K259-L262 PolarHBondContact O-N 3.03Å; N260-L262 VanDerWaalsContact C-N 3.29Å; N260-L262 PolarHBondContact O-N 3.22Å; L262-A265 PolarHBondContact O-N 3.2Å; L262-V266 HydrophobicContact CD1-CG2 4.24Å; L262-V266 HydrophobicContact CG-CG2 4.31Å; L262-V266 VanDerWaalsContact O-CB 3.25Å; L262-V266 WeakPolarHBondContact O-CB 3.27Å; L262-V266 WeakPolarHBondContact O-CG2 3.24Å; L262-V266 PolarHBondContact O-N 3.45Å
263	A	82.1	Confident	76.5	Confident	61 Å²	61	103.7 Å²	103.7	50%	0.504	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-42.9	177.1	0	0	0	0	0	111.4	K259 N260 V266 R267	K259-A263 WeakPolarHBondContact O-CB 3.32Å; K259-A263 PolarHBondContact O-N 2.94Å; N260-A263 PolarHBondContact O-N 3.39Å; N260-A263 VanDerWaalsContact O-N 3.16Å; A263-V266 PolarHBondContact O-N 3.34Å; A263-R267 WeakPolarHBondContact O-CB 3.35Å; A263-R267 PolarHBondContact O-N 3.01Å
264	L	84.7	Confident	78.8	Confident	59 Å²	59	100.8 Å²	100.8	31%	0.309	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-49.1	172.5	-71.5	173.5	0	0	0	110.8	N260 V266 R267 D268	N260-L264 WeakPolarHBondContact O-CB 3.24Å; N260-L264 WeakPolarHBondContact O-CG 3.39Å; N260-L264 PolarHBondContact O-N 3.14Å; L264-V266 VanDerWaalsContact C-N 3.32Å; L264-V266 PolarHBondContact O-N 3.45Å; L264-R267 CarbonylContact O-C 3.6Å; L264-R267 WeakPolarHBondContact O-CB 3.47Å; L264-R267 PolarHBondContact O-N 2.88Å; L264-R267 VanDerWaalsContact O-N 3.14Å; L264-D268 WeakPolarHBondContact O-CB 3.39Å; L264-D268 PolarHBondContact O-N 2.91Å
265	A	86.8	Confident	80.8	Confident	42 Å²	42	103 Å²	103	35%	0.347	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-40	176.3	0	0	0	0	0	112	E261 L262 D268 I269	E261-A265 WeakPolarHBondContact O-CA 3.35Å; E261-A265 WeakPolarHBondContact O-CB 3.34Å; E261-A265 PolarHBondContact O-N 3.01Å; L262-A265 PolarHBondContact O-N 3.2Å; A265-D268 PolarHBondContact O-N 2.93Å; A265-I269 WeakPolarHBondContact O-CB 3.39Å; A265-I269 WeakPolarHBondContact O-CD1 3.49Å; A265-I269 WeakPolarHBondContact O-CG1 3.38Å; A265-I269 PolarHBondContact O-N 2.87Å
266	V	86.1	Confident	82.8	Confident	57 Å²	57	100 Å²	100	35%	0.345	49%	0.488	S	S	.	.	H	α-helix	trans	-66.4	-41.4	175.9	166.6	0	0	0	0	110.9	L262 A263 L264 R270	L262-V266 HydrophobicContact CD1-CG2 4.24Å; L262-V266 HydrophobicContact CG-CG2 4.31Å; L262-V266 VanDerWaalsContact O-CB 3.25Å; L262-V266 WeakPolarHBondContact O-CB 3.27Å; L262-V266 WeakPolarHBondContact O-CG2 3.24Å; L262-V266 PolarHBondContact O-N 3.45Å; A263-V266 PolarHBondContact O-N 3.34Å; L264-V266 VanDerWaalsContact C-N 3.32Å; L264-V266 PolarHBondContact O-N 3.45Å; V266-R270 WeakPolarHBondContact O-CB 3.43Å; V266-R270 VanDerWaalsContact O-CG 3.23Å; V266-R270 WeakPolarHBondContact O-CG 3.35Å; V266-R270 PolarHBondContact O-N 2.9Å
267	R	89.6	Confident	84.5	Confident	134 Å²	134	97.4 Å²	97.4	51%	0.506	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175.4	-175.7	-164.7	67.2	173	-1.7	111	A263 L264 R270 N271	A263-R267 WeakPolarHBondContact O-CB 3.35Å; A263-R267 PolarHBondContact O-N 3.01Å; L264-R267 CarbonylContact O-C 3.6Å; L264-R267 WeakPolarHBondContact O-CB 3.47Å; L264-R267 PolarHBondContact O-N 2.88Å; L264-R267 VanDerWaalsContact O-N 3.14Å; R267-R270 WeakPolarHBondContact O-CB 3.44Å; R267-R270 PolarHBondContact O-N 2.91Å; R267-N271 VanDerWaalsContact O-CG 3.26Å; R267-N271 PolarHBondContact O-N 2.79Å
268	D	91	Very high	85.9	Confident	72 Å²	72	96.7 Å²	96.7	39%	0.385	48%	0.483	S	S	.	.	H	α-helix	trans	-69.1	-40.8	-179.5	-64.6	-6.1	0	0	0	110	L264 A265 R270 N271 E272	L264-D268 WeakPolarHBondContact O-CB 3.39Å; L264-D268 PolarHBondContact O-N 2.91Å; A265-D268 PolarHBondContact O-N 2.93Å; D268-R270 VanDerWaalsContact C-N 3.33Å; D268-R270 PolarHBondContact O-N 2.84Å; D268-N271 PolarHBondContact O-N 2.8Å; D268-E272 WeakPolarHBondContact O-CB 3.43Å; D268-E272 VanDerWaalsContact O-CG 3.28Å; D268-E272 WeakPolarHBondContact O-CG 3.26Å; D268-E272 PolarHBondContact O-N 2.98Å
269	I	91.8	Very high	87.6	Confident	91 Å²	91	96.4 Å²	96.4	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-57.9	-45.2	169.8	-74	164.5	0	0	0	110.6	A265 E272 Y273	A265-I269 WeakPolarHBondContact O-CB 3.39Å; A265-I269 WeakPolarHBondContact O-CD1 3.49Å; A265-I269 WeakPolarHBondContact O-CG1 3.38Å; A265-I269 PolarHBondContact O-N 2.87Å; I269-E272 PolarHBondContact O-N 2.84Å; I269-Y273 HydrophobicContact CG2-CD2 3.49Å; I269-Y273 VanDerWaalsContact CG2-CD2 3.49Å; I269-Y273 HydrophobicContact CG2-CE2 3.59Å; I269-Y273 WeakPolarHBondContact O-CB 3.34Å; I269-Y273 WeakPolarHBondContact O-CD2 3.42Å; I269-Y273 PolarHBondContact O-N 2.75Å
270	R	91.6	Very high	88.7	Confident	170 Å²	170	96.2 Å²	96.2	64%	0.642	49%	0.487	S	S	*	.	H	α-helix	trans	-62	-44.6	176.3	-77.7	173.9	179.6	-173	0.4	111.7	V266 R267 D268 Y273 D274	V266-R270 WeakPolarHBondContact O-CB 3.43Å; V266-R270 VanDerWaalsContact O-CG 3.23Å; V266-R270 WeakPolarHBondContact O-CG 3.35Å; V266-R270 PolarHBondContact O-N 2.9Å; R267-R270 WeakPolarHBondContact O-CB 3.44Å; R267-R270 PolarHBondContact O-N 2.91Å; D268-R270 VanDerWaalsContact C-N 3.33Å; D268-R270 PolarHBondContact O-N 2.84Å; R270-Y273 PolarHBondContact O-N 2.79Å; R270-D274 WeakPolarHBondContact O-CB 3.48Å; R270-D274 PolarHBondContact O-N 3.12Å
271	N	93.6	Very high	89.9	Confident	77 Å²	77	96.6 Å²	96.6	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-44.7	176.4	-70.4	-16.4	0	0	0	111.5	R267 D268 D274 I275	R267-N271 VanDerWaalsContact O-CG 3.26Å; R267-N271 PolarHBondContact O-N 2.79Å; D268-N271 PolarHBondContact O-N 2.8Å; N271-D274 PolarHBondContact O-N 2.78Å; N271-I275 WeakPolarHBondContact O-CB 3.45Å; N271-I275 WeakPolarHBondContact O-CG1 3.27Å; N271-I275 PolarHBondContact O-N 2.84Å
272	E	94.6	Very high	90.9	Very high	113 Å²	113	95.1 Å²	95.1	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-44.6	175	-72.6	-61.7	136.7	0	0	111	D268 I269 D274 I275 I276	D268-E272 WeakPolarHBondContact O-CB 3.43Å; D268-E272 VanDerWaalsContact O-CG 3.28Å; D268-E272 WeakPolarHBondContact O-CG 3.26Å; D268-E272 PolarHBondContact O-N 2.98Å; I269-E272 PolarHBondContact O-N 2.84Å; E272-D274 PolarHBondContact O-N 2.82Å; E272-I275 PolarHBondContact O-N 3.22Å; E272-I276 WeakPolarHBondContact O-CB 3.47Å; E272-I276 WeakPolarHBondContact O-CD1 3.36Å; E272-I276 WeakPolarHBondContact O-CG1 3.31Å; E272-I276 PolarHBondContact O-N 3.3Å
273	Y	91	Very high	91.7	Very high	162 Å²	162	93.8 Å²	93.8	64%	0.635	47%	0.474	S	S	*	.	H	α-helix	trans	-63	-40.2	174.9	-91.9	-70.6	0	0	0	112.4	I269 R270 I276 A277	I269-Y273 HydrophobicContact CG2-CD2 3.49Å; I269-Y273 VanDerWaalsContact CG2-CD2 3.49Å; I269-Y273 HydrophobicContact CG2-CE2 3.59Å; I269-Y273 WeakPolarHBondContact O-CB 3.34Å; I269-Y273 WeakPolarHBondContact O-CD2 3.42Å; I269-Y273 PolarHBondContact O-N 2.75Å; R270-Y273 PolarHBondContact O-N 2.79Å; Y273-I276 PolarHBondContact O-N 3.09Å; Y273-A277 WeakPolarHBondContact O-CB 3.38Å; Y273-A277 PolarHBondContact O-N 3.46Å
274	D	93.7	Very high	92.2	Very high	105 Å²	105	94.9 Å²	94.9	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-66.6	-42.1	177	-79.1	-15.7	0	0	0	111.1	R270 N271 E272 A277 Q278	R270-D274 WeakPolarHBondContact O-CB 3.48Å; R270-D274 PolarHBondContact O-N 3.12Å; N271-D274 PolarHBondContact O-N 2.78Å; E272-D274 PolarHBondContact O-N 2.82Å; D274-A277 PolarHBondContact O-N 2.8Å; D274-Q278 WeakPolarHBondContact O-CB 3.31Å; D274-Q278 WeakPolarHBondContact O-CG 3.34Å; D274-Q278 PolarHBondContact O-N 3.45Å
275	I	94.4	Very high	92.8	Very high	102 Å²	102	97.3 Å²	97.3	52%	0.523	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-48.8	174	-69.5	164.5	0	0	0	110.1	N271 E272 A277 Q278 Q279	N271-I275 WeakPolarHBondContact O-CB 3.45Å; N271-I275 WeakPolarHBondContact O-CG1 3.27Å; N271-I275 PolarHBondContact O-N 2.84Å; E272-I275 PolarHBondContact O-N 3.22Å; I275-A277 VanDerWaalsContact C-N 3.33Å; I275-A277 PolarHBondContact O-N 2.63Å; I275-Q278 PolarHBondContact O-N 2.93Å; I275-Q279 VanDerWaalsContact O-CB 3.26Å; I275-Q279 WeakPolarHBondContact O-CB 2.92Å; I275-Q279 PolarHBondContact O-N 3.35Å
276	I	93.4	Very high	93.2	Very high	98 Å²	98	98.5 Å²	98.5	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-62.1	-41.5	178.2	-68.6	163.6	0	0	0	110.8	E272 Y273 Q279 N280	E272-I276 WeakPolarHBondContact O-CB 3.47Å; E272-I276 WeakPolarHBondContact O-CD1 3.36Å; E272-I276 WeakPolarHBondContact O-CG1 3.31Å; E272-I276 PolarHBondContact O-N 3.3Å; Y273-I276 PolarHBondContact O-N 3.09Å; I276-Q279 PolarHBondContact O-N 2.82Å; I276-N280 WeakPolarHBondContact O-CB 3.46Å; I276-N280 PolarHBondContact O-N 3.03Å
277	A	92.7	Very high	93.6	Very high	56 Å²	56	102.4 Å²	102.4	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-42.9	178.9	0	0	0	0	0	111.7	Y273 D274 I275 K281	Y273-A277 WeakPolarHBondContact O-CB 3.38Å; Y273-A277 PolarHBondContact O-N 3.46Å; D274-A277 PolarHBondContact O-N 2.8Å; I275-A277 VanDerWaalsContact C-N 3.33Å; I275-A277 PolarHBondContact O-N 2.63Å; A277-K281 WeakPolarHBondContact O-CB 3.36Å; A277-K281 PolarHBondContact O-N 3.44Å
278	Q	94.9	Very high	93.8	Very high	118 Å²	118	102.3 Å²	102.3	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-66.1	-44.6	174.9	-70.7	-63.2	-8	0	0	111.8	D274 I275 N280 K281 T282	D274-Q278 WeakPolarHBondContact O-CB 3.31Å; D274-Q278 WeakPolarHBondContact O-CG 3.34Å; D274-Q278 PolarHBondContact O-N 3.45Å; I275-Q278 PolarHBondContact O-N 2.93Å; Q278-N280 PolarHBondContact O-N 2.98Å; Q278-K281 WeakPolarHBondContact O-CB 3.31Å; Q278-K281 PolarHBondContact O-N 3.42Å; Q278-T282 PolarHBondContact O-N 3.37Å; Q278-T282 PolarHBondContact O-OG1 3.2Å
279	Q	95.3	Very high	94.1	Very high	103 Å²	103	106.2 Å²	106.2	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-47.6	176.9	-175.9	61	38.7	0	0	111.2	I275 I276 K281 T282 D283	I275-Q279 VanDerWaalsContact O-CB 3.26Å; I275-Q279 WeakPolarHBondContact O-CB 2.92Å; I275-Q279 PolarHBondContact O-N 3.35Å; I276-Q279 PolarHBondContact O-N 2.82Å; Q279-K281 VanDerWaalsContact C-N 3.3Å; Q279-K281 PolarHBondContact O-N 2.95Å; Q279-T282 WeakPolarHBondContact CA-OG1 3.27Å; Q279-T282 PolarHBondContact O-N 3Å; Q279-T282 PolarHBondContact O-OG1 2.95Å; Q279-D283 VanDerWaalsContact NE2-CG 3.3Å; Q279-D283 PolarHBondContact NE2-OD1 3.08Å; Q279-D283 PolarHBondContact NE2-OD2 3.23Å; Q279-D283 VanDerWaalsContact NE2-OD2 3.08Å; Q279-D283 VanDerWaalsContact O-CB 3.31Å; Q279-D283 WeakPolarHBondContact O-CB 3.27Å; Q279-D283 PolarHBondContact O-N 2.62Å
280	N	93.5	Very high	94.3	Very high	96 Å²	96	107.2 Å²	107.2	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-39.5	177	-171.3	13.5	0	0	0	111.4	I276 Q278 D283 M284	I276-N280 WeakPolarHBondContact O-CB 3.46Å; I276-N280 PolarHBondContact O-N 3.03Å; Q278-N280 PolarHBondContact O-N 2.98Å; N280-D283 PolarHBondContact O-N 3.23Å; N280-M284 VanDerWaalsContact O-CB 3.27Å; N280-M284 WeakPolarHBondContact O-CB 3.45Å; N280-M284 WeakPolarHBondContact O-CG 3.29Å; N280-M284 PolarHBondContact O-N 2.88Å
281	K	95.7	Very high	94.5	Very high	113 Å²	113	103.2 Å²	103.2	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-49.4	174	-178.5	-174.9	170.2	-171.3	0	111.5	A277 Q278 Q279 D283 M284 E285	A277-K281 WeakPolarHBondContact O-CB 3.36Å; A277-K281 PolarHBondContact O-N 3.44Å; Q278-K281 WeakPolarHBondContact O-CB 3.31Å; Q278-K281 PolarHBondContact O-N 3.42Å; Q279-K281 VanDerWaalsContact C-N 3.3Å; Q279-K281 PolarHBondContact O-N 2.95Å; K281-D283 VanDerWaalsContact C-N 3.32Å; K281-D283 PolarHBondContact O-N 3.27Å; K281-M284 PolarHBondContact O-N 2.86Å; K281-E285 WeakPolarHBondContact CE-OE1 3.42Å; K281-E285 IonicContact NZ-OE1 2.75Å; K281-E285 WeakPolarHBondContact O-CB 3.31Å; K281-E285 WeakPolarHBondContact O-CG 3.37Å; K281-E285 PolarHBondContact O-N 2.88Å
282	T	95.2	Very high	94.5	Very high	59 Å²	59	104 Å²	104	36%	0.362	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-36.3	179.5	50.7	0	0	0	0	112.5	Q278 Q279 S286	Q278-T282 PolarHBondContact O-N 3.37Å; Q278-T282 PolarHBondContact O-OG1 3.2Å; Q279-T282 WeakPolarHBondContact CA-OG1 3.27Å; Q279-T282 PolarHBondContact O-N 3Å; Q279-T282 PolarHBondContact O-OG1 2.95Å; T282-S286 VanDerWaalsContact O-CB 3.27Å; T282-S286 WeakPolarHBondContact O-CB 3.49Å; T282-S286 PolarHBondContact O-N 2.87Å; T282-S286 PolarHBondContact O-OG 3.1Å
283	D	94.3	Very high	94.5	Very high	81 Å²	81	104.4 Å²	104.4	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-43.5	177.2	-70.1	-17.4	0	0	0	110.7	Q279 N280 K281 S286 W287	Q279-D283 VanDerWaalsContact NE2-CG 3.3Å; Q279-D283 PolarHBondContact NE2-OD1 3.08Å; Q279-D283 PolarHBondContact NE2-OD2 3.23Å; Q279-D283 VanDerWaalsContact NE2-OD2 3.08Å; Q279-D283 VanDerWaalsContact O-CB 3.31Å; Q279-D283 WeakPolarHBondContact O-CB 3.27Å; Q279-D283 PolarHBondContact O-N 2.62Å; N280-D283 PolarHBondContact O-N 3.23Å; K281-D283 VanDerWaalsContact C-N 3.32Å; K281-D283 PolarHBondContact O-N 3.27Å; D283-S286 PolarHBondContact O-N 3.1Å; D283-W287 WeakPolarHBondContact O-CB 3.41Å; D283-W287 PolarHBondContact O-N 3.37Å
284	M	92.9	Very high	94.6	Very high	84 Å²	84	102.1 Å²	102.1	41%	0.414	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-44.5	175.6	-73.8	-70.9	-81.2	0	0	112.1	N280 K281 W287 Y288	N280-M284 VanDerWaalsContact O-CB 3.27Å; N280-M284 WeakPolarHBondContact O-CB 3.45Å; N280-M284 WeakPolarHBondContact O-CG 3.29Å; N280-M284 PolarHBondContact O-N 2.88Å; K281-M284 PolarHBondContact O-N 2.86Å; M284-W287 PolarHBondContact O-N 3.41Å; M284-Y288 HydrophobicContact CE-CE2 3.79Å; M284-Y288 WeakPolarHBondContact O-CD2 3.43Å; M284-Y288 PolarHBondContact O-N 2.86Å
285	E	96	Very high	94.6	Very high	111 Å²	111	100.9 Å²	100.9	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.7	-76	177.1	-179.8	0	0	111.5	K281 Y288 K289	K281-E285 WeakPolarHBondContact CE-OE1 3.42Å; K281-E285 IonicContact NZ-OE1 2.75Å; K281-E285 WeakPolarHBondContact O-CB 3.31Å; K281-E285 WeakPolarHBondContact O-CG 3.37Å; K281-E285 PolarHBondContact O-N 2.88Å; E285-Y288 PolarHBondContact O-N 2.8Å; E285-K289 VanDerWaalsContact O-CB 3.29Å; E285-K289 WeakPolarHBondContact O-CB 3.26Å; E285-K289 PolarHBondContact O-N 3.05Å
286	S	94.9	Very high	94.6	Very high	66 Å²	66	102.2 Å²	102.2	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-41.9	176.3	-60.8	0	0	0	0	111.6	T282 D283 K289 L290	T282-S286 VanDerWaalsContact O-CB 3.27Å; T282-S286 WeakPolarHBondContact O-CB 3.49Å; T282-S286 PolarHBondContact O-N 2.87Å; T282-S286 PolarHBondContact O-OG 3.1Å; D283-S286 PolarHBondContact O-N 3.1Å; S286-K289 PolarHBondContact O-N 2.81Å; S286-L290 WeakPolarHBondContact O-CB 3.4Å; S286-L290 WeakPolarHBondContact O-CG 3.48Å; S286-L290 PolarHBondContact O-N 3.14Å
287	W	95.5	Very high	94.5	Very high	140 Å²	140	101.3 Å²	101.3	53%	0.53	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-48.6	177.2	-176.8	84.7	0	0	0	111.9	D283 M284 K289 L290 K291	D283-W287 WeakPolarHBondContact O-CB 3.41Å; D283-W287 PolarHBondContact O-N 3.37Å; M284-W287 PolarHBondContact O-N 3.41Å; W287-K289 VanDerWaalsContact C-N 3.34Å; W287-K289 PolarHBondContact O-N 2.9Å; W287-L290 PolarHBondContact O-N 2.87Å; W287-K291 WeakPolarHBondContact O-CB 3.32Å; W287-K291 PolarHBondContact O-N 2.75Å
288	Y	94.1	Very high	94.5	Very high	131 Å²	131	101.2 Å²	101.2	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-39.5	176.8	-82	-63.8	0	0	0	112.1	M284 E285 K291 V292	M284-Y288 HydrophobicContact CE-CE2 3.79Å; M284-Y288 WeakPolarHBondContact O-CD2 3.43Å; M284-Y288 PolarHBondContact O-N 2.86Å; E285-Y288 PolarHBondContact O-N 2.8Å; Y288-K291 PolarHBondContact O-N 2.84Å; Y288-V292 WeakPolarHBondContact O-CG2 3.26Å; Y288-V292 PolarHBondContact O-N 3.27Å
289	K	96.4	Very high	94.3	Very high	154 Å²	154	99.6 Å²	99.6	67%	0.67	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-47.1	176	-175.5	179.6	179	-178.3	0	111.7	E285 S286 W287 K291 V292 Q293	E285-K289 VanDerWaalsContact O-CB 3.29Å; E285-K289 WeakPolarHBondContact O-CB 3.26Å; E285-K289 PolarHBondContact O-N 3.05Å; S286-K289 PolarHBondContact O-N 2.81Å; W287-K289 VanDerWaalsContact C-N 3.34Å; W287-K289 PolarHBondContact O-N 2.9Å; K289-K291 VanDerWaalsContact C-N 3.33Å; K289-K291 PolarHBondContact O-N 3.28Å; K289-V292 PolarHBondContact O-N 2.84Å; K289-Q293 WeakPolarHBondContact O-CB 3.4Å; K289-Q293 PolarHBondContact O-N 3.42Å
290	L	95.7	Very high	94.2	Very high	113 Å²	113	97.8 Å²	97.8	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-41.1	175	-73.1	174.2	0	0	0	111.3	S286 W287 Q293 E294	S286-L290 WeakPolarHBondContact O-CB 3.4Å; S286-L290 WeakPolarHBondContact O-CG 3.48Å; S286-L290 PolarHBondContact O-N 3.14Å; W287-L290 PolarHBondContact O-N 2.87Å; L290-Q293 PolarHBondContact O-N 3.43Å; L290-E294 WeakPolarHBondContact O-CB 3.49Å; L290-E294 PolarHBondContact O-N 3.26Å
291	K	96	Very high	94.1	Very high	85 Å²	85	102.5 Å²	102.5	37%	0.37	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-41.1	179.8	-165.1	70.3	-161	161.8	0	112.6	W287 Y288 K289 E294 V295	W287-K291 WeakPolarHBondContact O-CB 3.32Å; W287-K291 PolarHBondContact O-N 2.75Å; Y288-K291 PolarHBondContact O-N 2.84Å; K289-K291 VanDerWaalsContact C-N 3.33Å; K289-K291 PolarHBondContact O-N 3.28Å; K291-E294 WeakPolarHBondContact CD-OE2 3.46Å; K291-E294 IonicContact NZ-OE1 2.63Å; K291-E294 PolarHBondContact NZ-OE1 2.81Å; K291-E294 IonicContact NZ-OE2 3.22Å; K291-E294 PolarHBondContact NZ-OE2 3.11Å; K291-E294 PolarHBondContact O-N 2.96Å; K291-V295 VanDerWaalsContact O-CG2 3.29Å; K291-V295 WeakPolarHBondContact O-CG2 3.44Å; K291-V295 PolarHBondContact O-N 2.92Å
292	V	94.6	Very high	93.9	Very high	94 Å²	94	103.8 Å²	103.8	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-43.8	174.1	170.5	0	0	0	0	110.7	Y288 K289 V295 Q296	Y288-V292 WeakPolarHBondContact O-CG2 3.26Å; Y288-V292 PolarHBondContact O-N 3.27Å; K289-V292 PolarHBondContact O-N 2.84Å; V292-V295 PolarHBondContact O-N 2.8Å; V292-Q296 WeakPolarHBondContact O-CB 3.45Å; V292-Q296 PolarHBondContact O-N 2.84Å
293	Q	94.7	Very high	93.8	Very high	121 Å²	121	102.5 Å²	102.5	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-63.9	-41.2	177.2	-173.9	179.7	-5.8	0	0	112.3	K289 L290 Q296 S297	K289-Q293 WeakPolarHBondContact O-CB 3.4Å; K289-Q293 PolarHBondContact O-N 3.42Å; L290-Q293 PolarHBondContact O-N 3.43Å; Q293-Q296 PolarHBondContact O-N 3.27Å; Q293-S297 WeakPolarHBondContact O-CB 3.25Å; Q293-S297 PolarHBondContact O-N 2.89Å
294	E	93.4	Very high	93.8	Very high	114 Å²	114	105.2 Å²	105.2	53%	0.533	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-47.9	175.5	-172.7	-166.2	171.1	0	0	111	L290 K291 S297 A298	L290-E294 WeakPolarHBondContact O-CB 3.49Å; L290-E294 PolarHBondContact O-N 3.26Å; K291-E294 WeakPolarHBondContact CD-OE2 3.46Å; K291-E294 IonicContact NZ-OE1 2.63Å; K291-E294 PolarHBondContact NZ-OE1 2.81Å; K291-E294 IonicContact NZ-OE2 3.22Å; K291-E294 PolarHBondContact NZ-OE2 3.11Å; K291-E294 PolarHBondContact O-N 2.96Å; E294-S297 PolarHBondContact O-N 3.45Å; E294-A298 VanDerWaalsContact O-CB 3.27Å; E294-A298 WeakPolarHBondContact O-CB 3.31Å; E294-A298 PolarHBondContact O-N 3.35Å
295	V	93.6	Very high	93.7	Very high	79 Å²	79	105.9 Å²	105.9	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-46.2	176.9	170.6	0	0	0	0	110.5	K291 V292 S297 A298 T299	K291-V295 VanDerWaalsContact O-CG2 3.29Å; K291-V295 WeakPolarHBondContact O-CG2 3.44Å; K291-V295 PolarHBondContact O-N 2.92Å; V292-V295 PolarHBondContact O-N 2.8Å; V295-S297 PolarHBondContact O-N 3.16Å; V295-A298 PolarHBondContact O-N 3.26Å; V295-T299 WeakPolarHBondContact O-CB 3.5Å; V295-T299 PolarHBondContact O-N 3.35Å; V295-T299 PolarHBondContact O-OG1 3.45Å
296	Q	92.9	Very high	93.6	Very high	130 Å²	130	103.7 Å²	103.7	61%	0.607	53%	0.532	S	S	*	.	H	α-helix	trans	-62.6	-44	179	-171.7	170.8	6.2	0	0	111.9	V292 Q293 T299 S300	V292-Q296 WeakPolarHBondContact O-CB 3.45Å; V292-Q296 PolarHBondContact O-N 2.84Å; Q293-Q296 PolarHBondContact O-N 3.27Å; Q296-T299 PolarHBondContact O-N 2.98Å; Q296-S300 PolarHBondContact O-N 2.62Å; Q296-S300 PolarHBondContact O-OG 3.49Å
297	S	91.8	Very high	93.6	Very high	79 Å²	79	105 Å²	105	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-64.6	-39.2	175.8	-173.1	0	0	0	0	112.1	Q293 E294 V295 R301	Q293-S297 WeakPolarHBondContact O-CB 3.25Å; Q293-S297 PolarHBondContact O-N 2.89Å; E294-S297 PolarHBondContact O-N 3.45Å; V295-S297 PolarHBondContact O-N 3.16Å; S297-R301 WeakPolarHBondContact O-CB 3.29Å; S297-R301 PolarHBondContact O-N 2.98Å
298	A	92.1	Very high	93.5	Very high	55 Å²	55	104.8 Å²	104.8	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-65.9	-43.6	176.2	0	0	0	0	0	111.3	E294 V295 R301 Q302	E294-A298 VanDerWaalsContact O-CB 3.27Å; E294-A298 WeakPolarHBondContact O-CB 3.31Å; E294-A298 PolarHBondContact O-N 3.35Å; V295-A298 PolarHBondContact O-N 3.26Å; A298-R301 PolarHBondContact O-N 2.97Å; A298-Q302 VanDerWaalsContact O-CB 3.32Å; A298-Q302 WeakPolarHBondContact O-CB 3.23Å; A298-Q302 PolarHBondContact O-N 3.43Å
299	T	92.5	Very high	93.4	Very high	84 Å²	84	103.5 Å²	103.5	52%	0.515	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-44.2	175.3	-58.9	0	0	0	0	111.8	V295 Q296 R301 Q302 G303	V295-T299 WeakPolarHBondContact O-CB 3.5Å; V295-T299 PolarHBondContact O-N 3.35Å; V295-T299 PolarHBondContact O-OG1 3.45Å; Q296-T299 PolarHBondContact O-N 2.98Å; T299-R301 PolarHBondContact O-N 3.36Å; T299-Q302 PolarHBondContact O-N 2.96Å; T299-G303 PolarHBondContact O-N 2.89Å
300	S	92.5	Very high	93.4	Very high	64 Å²	64	105.3 Å²	105.3	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-61.7	-43.9	175.7	-65.5	0	0	0	0	112	Q296 G303 M304	Q296-S300 PolarHBondContact O-N 2.62Å; Q296-S300 PolarHBondContact O-OG 3.49Å; S300-G303 PolarHBondContact O-N 3.17Å; S300-M304 WeakPolarHBondContact O-CG 3.43Å; S300-M304 PolarHBondContact O-N 3Å
301	R	92	Very high	93.4	Very high	196 Å²	196	105.9 Å²	105.9	74%	0.74	54%	0.535	S	S	*	.	H	α-helix	trans	-63.8	-43.4	176.6	-176	178.5	173.7	-160.1	-2.3	111.9	S297 A298 T299 G303 M304 E305	S297-R301 WeakPolarHBondContact O-CB 3.29Å; S297-R301 PolarHBondContact O-N 2.98Å; A298-R301 PolarHBondContact O-N 2.97Å; T299-R301 PolarHBondContact O-N 3.36Å; R301-G303 VanDerWaalsContact C-N 3.31Å; R301-G303 PolarHBondContact O-N 3.36Å; R301-M304 PolarHBondContact O-N 2.9Å; R301-E305 WeakPolarHBondContact O-CB 3.34Å; R301-E305 PolarHBondContact O-N 3.03Å
302	Q	91.6	Very high	93.2	Very high	140 Å²	140	104.3 Å²	104.3	65%	0.654	53%	0.529	S	S	*	.	H	α-helix	trans	-63	-38.6	176.2	-173.4	178	13.4	0	0	111.7	A298 T299 S306	A298-Q302 VanDerWaalsContact O-CB 3.32Å; A298-Q302 WeakPolarHBondContact O-CB 3.23Å; A298-Q302 PolarHBondContact O-N 3.43Å; T299-Q302 PolarHBondContact O-N 2.96Å; Q302-S306 VanDerWaalsContact O-CB 3.27Å; Q302-S306 WeakPolarHBondContact O-CB 3.34Å; Q302-S306 PolarHBondContact O-N 2.74Å
303	G	93.1	Very high	93.2	Very high	32 Å²	32	103.5 Å²	103.5	33%	0.33	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175	0	0	0	0	0	112.9	T299 S300 R301 S306 N307	T299-G303 PolarHBondContact O-N 2.89Å; S300-G303 PolarHBondContact O-N 3.17Å; R301-G303 VanDerWaalsContact C-N 3.31Å; R301-G303 PolarHBondContact O-N 3.36Å; G303-S306 PolarHBondContact O-N 3.45Å; G303-N307 WeakPolarHBondContact O-CB 3.49Å; G303-N307 PolarHBondContact O-N 3.19Å; G303-N307 PolarHBondContact O-ND2 2.79Å
304	M	92.9	Very high	93.3	Very high	137 Å²	137	104.2 Å²	104.2	68%	0.675	53%	0.525	S	S	*	.	H	α-helix	trans	-63.5	-46.1	176	-68.2	178.4	-167.1	0	0	111.9	S300 R301 S306 N307 Y308	S300-M304 WeakPolarHBondContact O-CG 3.43Å; S300-M304 PolarHBondContact O-N 3Å; R301-M304 PolarHBondContact O-N 2.9Å; M304-S306 PolarHBondContact O-N 2.81Å; M304-N307 PolarHBondContact O-N 3.16Å; M304-Y308 WeakPolarHBondContact O-CB 3.42Å; M304-Y308 PolarHBondContact O-N 3.37Å
305	E	91.4	Very high	93.3	Very high	98 Å²	98	104.4 Å²	104.4	46%	0.458	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-43.1	177.7	-177.2	62.5	-146.8	0	0	111.6	R301 N307 Y308 Q309	R301-E305 WeakPolarHBondContact O-CB 3.34Å; R301-E305 PolarHBondContact O-N 3.03Å; E305-N307 PolarHBondContact O-N 3.44Å; E305-Y308 PolarHBondContact O-N 3Å; E305-Q309 VanDerWaalsContact O-CG 3.31Å; E305-Q309 WeakPolarHBondContact O-CG 3.33Å; E305-Q309 PolarHBondContact O-N 2.8Å; E305-Q309 PolarHBondContact OE1-NE2 3.49Å
306	S	93.4	Very high	93.3	Very high	66 Å²	66	105.3 Å²	105.3	46%	0.462	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-40.1	177.3	-177.3	0	0	0	0	112.3	Q302 G303 M304 R310	Q302-S306 VanDerWaalsContact O-CB 3.27Å; Q302-S306 WeakPolarHBondContact O-CB 3.34Å; Q302-S306 PolarHBondContact O-N 2.74Å; G303-S306 PolarHBondContact O-N 3.45Å; M304-S306 PolarHBondContact O-N 2.81Å; S306-R310 WeakPolarHBondContact O-CB 3.17Å; S306-R310 PolarHBondContact O-N 3.34Å
307	N	94.8	Very high	93.4	Very high	94 Å²	94	107.4 Å²	107.4	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-65.4	-44.2	175.3	-75.8	-23	0	0	0	111.6	G303 M304 E305 Q309 R310 E311	G303-N307 WeakPolarHBondContact O-CB 3.49Å; G303-N307 PolarHBondContact O-N 3.19Å; G303-N307 PolarHBondContact O-ND2 2.79Å; M304-N307 PolarHBondContact O-N 3.16Å; E305-N307 PolarHBondContact O-N 3.44Å; N307-Q309 PolarHBondContact O-N 3.19Å; N307-R310 WeakPolarHBondContact O-CB 3.41Å; N307-R310 PolarHBondContact O-N 3.08Å; N307-E311 WeakPolarHBondContact O-CG 3.02Å; N307-E311 PolarHBondContact O-N 2.92Å
308	Y	93.3	Very high	93.6	Very high	134 Å²	134	107.2 Å²	107.2	53%	0.525	52%	0.516	S	S	.	.	H	α-helix	trans	-57.9	-49.6	175.6	176.8	-99.3	0	0	0	111.6	M304 E305 R310 E311 E312	M304-Y308 WeakPolarHBondContact O-CB 3.42Å; M304-Y308 PolarHBondContact O-N 3.37Å; E305-Y308 PolarHBondContact O-N 3Å; Y308-R310 VanDerWaalsContact C-N 3.29Å; Y308-R310 PolarHBondContact O-N 3.17Å; Y308-E311 PolarHBondContact O-N 3Å; Y308-E312 WeakPolarHBondContact O-CB 3.49Å; Y308-E312 PolarHBondContact O-N 3.2Å
309	Q	93	Very high	93.7	Very high	105 Å²	105	109.4 Å²	109.4	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-37	177.1	-70.2	176.2	4.6	0	0	112.2	E305 N307 E312 V313	E305-Q309 VanDerWaalsContact O-CG 3.31Å; E305-Q309 WeakPolarHBondContact O-CG 3.33Å; E305-Q309 PolarHBondContact O-N 2.8Å; E305-Q309 PolarHBondContact OE1-NE2 3.49Å; N307-Q309 PolarHBondContact O-N 3.19Å; Q309-E312 PolarHBondContact O-N 2.91Å; Q309-V313 WeakPolarHBondContact O-CB 3.48Å; Q309-V313 VanDerWaalsContact O-CG2 3.28Å; Q309-V313 WeakPolarHBondContact O-CG2 3.4Å; Q309-V313 PolarHBondContact O-N 3.36Å
310	R	95.3	Very high	93.7	Very high	192 Å²	192	110 Å²	110	73%	0.725	52%	0.515	S	S	*	.	H	α-helix	trans	-66.8	-40.7	176.8	-174.2	178.4	177.7	-177.3	-1	112.2	S306 N307 Y308 K314	S306-R310 WeakPolarHBondContact O-CB 3.17Å; S306-R310 PolarHBondContact O-N 3.34Å; N307-R310 WeakPolarHBondContact O-CB 3.41Å; N307-R310 PolarHBondContact O-N 3.08Å; Y308-R310 VanDerWaalsContact C-N 3.29Å; Y308-R310 PolarHBondContact O-N 3.17Å; R310-K314 WeakPolarHBondContact O-CB 3.35Å; R310-K314 PolarHBondContact O-N 3.42Å
311	E	95.7	Very high	93.8	Very high	124 Å²	124	113.5 Å²	113.5	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-67	-39.7	174.9	-73.8	175.3	-169.5	0	0	111.8	N307 Y308 K314 R315	N307-E311 WeakPolarHBondContact O-CG 3.02Å; N307-E311 PolarHBondContact O-N 2.92Å; Y308-E311 PolarHBondContact O-N 3Å; E311-K314 WeakPolarHBondContact O-CB 3.29Å; E311-K314 PolarHBondContact O-N 3.47Å; E311-R315 PolarHBondContact O-N 3.44Å
312	E	92.3	Very high	94	Very high	52 Å²	52	108.8 Å²	108.8	24%	0.243	51%	0.514	C	S	.	.	H	α-helix	trans	-59.6	-51.5	174.8	-168.1	61.6	-142.3	0	0	111.5	Y308 Q309 K314 R315 M316	Y308-E312 WeakPolarHBondContact O-CB 3.49Å; Y308-E312 PolarHBondContact O-N 3.2Å; Q309-E312 PolarHBondContact O-N 2.91Å; E312-K314 VanDerWaalsContact C-N 3.27Å; E312-K314 PolarHBondContact O-N 2.89Å; E312-R315 PolarHBondContact O-N 2.97Å; E312-R315 IonicContact OE1-CZ 2.98Å; E312-R315 IonicContact OE1-NH1 2.72Å; E312-R315 PolarHBondContact OE1-NH1 2.97Å; E312-R315 IonicContact OE2-CZ 3.56Å; E312-R315 IonicContact OE2-NH1 3.82Å; E312-R315 PolarHBondContact OE2-NH1 3.38Å; E312-R315 IonicContact OE2-NH2 2.93Å; E312-R315 PolarHBondContact OE2-NH2 2.94Å; E312-M316 WeakPolarHBondContact O-CG 3.47Å; E312-M316 PolarHBondContact O-N 3.21Å; E312-M316 WeakPolarHBondContact OE1-CE 3.36Å
313	V	94.5	Very high	94	Very high	77 Å²	77	106.3 Å²	106.3	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-38	177.4	169.6	0	0	0	0	111.4	Q309 R317	Q309-V313 WeakPolarHBondContact O-CB 3.48Å; Q309-V313 VanDerWaalsContact O-CG2 3.28Å; Q309-V313 WeakPolarHBondContact O-CG2 3.4Å; Q309-V313 PolarHBondContact O-N 3.36Å; V313-R317 PolarHBondContact O-N 3.32Å
314	K	96.8	Very high	94.1	Very high	136 Å²	136	112.2 Å²	112.2	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-50.6	175.5	-174.2	-168.5	171.2	-157.9	0	110.9	R310 E311 E312 M316 R317 D318	R310-K314 WeakPolarHBondContact O-CB 3.35Å; R310-K314 PolarHBondContact O-N 3.42Å; E311-K314 WeakPolarHBondContact O-CB 3.29Å; E311-K314 PolarHBondContact O-N 3.47Å; E312-K314 VanDerWaalsContact C-N 3.27Å; E312-K314 PolarHBondContact O-N 2.89Å; K314-M316 VanDerWaalsContact C-N 3.3Å; K314-M316 PolarHBondContact O-N 2.98Å; K314-R317 WeakPolarHBondContact O-CB 3.42Å; K314-R317 PolarHBondContact O-N 3.4Å; K314-R317 VanDerWaalsContact O-N 3.1Å; K314-D318 PolarHBondContact O-N 3.09Å
315	R	94.7	Very high	94.2	Very high	118 Å²	118	107.4 Å²	107.4	45%	0.445	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-41.3	-179.9	-161.6	-174.4	-32	91.4	1.8	111.9	E311 E312 D318 H319	E311-R315 PolarHBondContact O-N 3.44Å; E312-R315 PolarHBondContact O-N 2.97Å; E312-R315 IonicContact OE1-CZ 2.98Å; E312-R315 IonicContact OE1-NH1 2.72Å; E312-R315 PolarHBondContact OE1-NH1 2.97Å; E312-R315 IonicContact OE2-CZ 3.56Å; E312-R315 IonicContact OE2-NH1 3.82Å; E312-R315 PolarHBondContact OE2-NH1 3.38Å; E312-R315 IonicContact OE2-NH2 2.93Å; E312-R315 PolarHBondContact OE2-NH2 2.94Å; R315-D318 PolarHBondContact O-N 2.98Å; R315-H319 WeakPolarHBondContact O-CB 3.3Å; R315-H319 PolarHBondContact O-N 3.43Å
316	M	93.2	Very high	94.4	Very high	98 Å²	98	108.7 Å²	108.7	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-38.7	176.2	-67.5	-61.7	161.9	0	0	111.9	E312 K314 M320	E312-M316 WeakPolarHBondContact O-CG 3.47Å; E312-M316 PolarHBondContact O-N 3.21Å; E312-M316 WeakPolarHBondContact OE1-CE 3.36Å; K314-M316 VanDerWaalsContact C-N 3.3Å; K314-M316 PolarHBondContact O-N 2.98Å; M316-M320 WeakPolarHBondContact O-CB 3.49Å; M316-M320 VanDerWaalsContact O-CG 3.27Å; M316-M320 WeakPolarHBondContact O-CG 3.38Å; M316-M320 PolarHBondContact O-N 2.81Å
317	R	94.9	Very high	94.2	Very high	175 Å²	175	110.3 Å²	110.3	66%	0.66	51%	0.51	S	S	*	.	H	α-helix	trans	-63.6	-45.6	173.4	-83.8	-177.4	-179.5	164.7	1.5	112.6	V313 K314 H319 M320 Q321	V313-R317 PolarHBondContact O-N 3.32Å; K314-R317 WeakPolarHBondContact O-CB 3.42Å; K314-R317 PolarHBondContact O-N 3.4Å; K314-R317 VanDerWaalsContact O-N 3.1Å; R317-H319 VanDerWaalsContact C-N 3.34Å; R317-H319 PolarHBondContact O-N 2.81Å; R317-M320 PolarHBondContact O-N 2.86Å; R317-Q321 PolarHBondContact O-N 3.39Å
318	D	96.6	Very high	94.2	Very high	74 Å²	74	108.4 Å²	108.4	40%	0.396	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-45.6	178.7	-63.6	-17.4	0	0	0	109.8	K314 R315 M320 Q321 D322	K314-D318 PolarHBondContact O-N 3.09Å; R315-D318 PolarHBondContact O-N 2.98Å; D318-M320 PolarHBondContact O-N 3.44Å; D318-Q321 WeakPolarHBondContact O-CB 3.42Å; D318-Q321 PolarHBondContact O-N 3.47Å; D318-Q321 VanDerWaalsContact O-N 3.07Å; D318-D322 PolarHBondContact O-N 3.23Å
319	H	93.8	Very high	94.3	Very high	101 Å²	101	107.2 Å²	107.2	47%	0.468	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-41.8	176	-171.4	60.8	0	0	0	113.1	R315 R317 Q321 D322 L323	R315-H319 WeakPolarHBondContact O-CB 3.3Å; R315-H319 PolarHBondContact O-N 3.43Å; R317-H319 VanDerWaalsContact C-N 3.34Å; R317-H319 PolarHBondContact O-N 2.81Å; H319-Q321 VanDerWaalsContact C-N 3.27Å; H319-Q321 PolarHBondContact O-N 3.35Å; H319-D322 PolarHBondContact O-N 3.35Å; H319-L323 WeakPolarHBondContact O-CG 3.37Å; H319-L323 PolarHBondContact O-N 2.86Å
320	M	92.2	Very high	94.3	Very high	97 Å²	97	107.6 Å²	107.6	48%	0.478	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-31.8	174.2	-75.6	-173.5	81.7	0	0	112.6	M316 R317 D318 R324	M316-M320 WeakPolarHBondContact O-CB 3.49Å; M316-M320 VanDerWaalsContact O-CG 3.27Å; M316-M320 WeakPolarHBondContact O-CG 3.38Å; M316-M320 PolarHBondContact O-N 2.81Å; R317-M320 PolarHBondContact O-N 2.86Å; D318-M320 PolarHBondContact O-N 3.44Å; M320-R324 VanDerWaalsContact O-CG 3.3Å; M320-R324 WeakPolarHBondContact O-CG 3.44Å; M320-R324 PolarHBondContact O-N 3Å; M320-R324 VanDerWaalsContact O-N 3.16Å
321	Q	95	Very high	94.3	Very high	137 Å²	137	103.9 Å²	103.9	64%	0.64	51%	0.505	S	S	*	.	H	α-helix	trans	-71.1	-43.6	175.4	-178.5	169.6	-7.7	0	0	111.1	R317 D318 H319 L323 R324 G325	R317-Q321 PolarHBondContact O-N 3.39Å; D318-Q321 WeakPolarHBondContact O-CB 3.42Å; D318-Q321 PolarHBondContact O-N 3.47Å; D318-Q321 VanDerWaalsContact O-N 3.07Å; H319-Q321 VanDerWaalsContact C-N 3.27Å; H319-Q321 PolarHBondContact O-N 3.35Å; Q321-L323 PolarHBondContact O-N 2.97Å; Q321-R324 PolarHBondContact O-N 2.85Å; Q321-G325 PolarHBondContact O-N 3.29Å
322	D	94.7	Very high	94.4	Very high	98 Å²	98	100 Å²	100	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-44.1	175.3	-69.7	-17.2	0	0	0	112	D318 H319 R324 G325 K326	D318-D322 PolarHBondContact O-N 3.23Å; H319-D322 PolarHBondContact O-N 3.35Å; D322-R324 VanDerWaalsContact C-N 3.34Å; D322-R324 PolarHBondContact O-N 3Å; D322-G325 PolarHBondContact O-N 3.43Å; D322-K326 WeakPolarHBondContact O-CG 3.45Å; D322-K326 PolarHBondContact O-N 3.35Å
323	L	92.2	Very high	94.5	Very high	88 Å²	88	103.4 Å²	103.4	46%	0.461	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-38.7	176.4	-74.4	177.3	0	0	0	112.1	H319 Q321 K326 L327	H319-L323 WeakPolarHBondContact O-CG 3.37Å; H319-L323 PolarHBondContact O-N 2.86Å; Q321-L323 PolarHBondContact O-N 2.97Å; L323-K326 PolarHBondContact O-N 3.49Å; L323-L327 WeakPolarHBondContact O-CB 3.28Å; L323-L327 PolarHBondContact O-N 2.92Å
324	R	95.3	Very high	94.4	Very high	155 Å²	155	103.8 Å²	103.8	59%	0.585	51%	0.512	S	S	*	.	H	α-helix	trans	-65.3	-39.2	174	-76.9	-178.4	-177	103.4	-3.9	112.3	M320 Q321 D322 L327 A328	M320-R324 VanDerWaalsContact O-CG 3.3Å; M320-R324 WeakPolarHBondContact O-CG 3.44Å; M320-R324 PolarHBondContact O-N 3Å; M320-R324 VanDerWaalsContact O-N 3.16Å; Q321-R324 PolarHBondContact O-N 2.85Å; D322-R324 VanDerWaalsContact C-N 3.34Å; D322-R324 PolarHBondContact O-N 3Å; R324-L327 PolarHBondContact O-N 3.28Å; R324-A328 PolarHBondContact O-N 3.42Å
325	G	95.2	Very high	94.4	Very high	36 Å²	36	101.9 Å²	101.9	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-48.4	174	0	0	0	0	0	111.9	Q321 D322 L327 A328 D329	Q321-G325 PolarHBondContact O-N 3.29Å; D322-G325 PolarHBondContact O-N 3.43Å; G325-L327 VanDerWaalsContact C-N 3.31Å; G325-L327 PolarHBondContact O-N 3.48Å; G325-A328 PolarHBondContact O-N 2.91Å; G325-D329 PolarHBondContact O-N 3.2Å
326	K	95.4	Very high	94.5	Very high	126 Å²	126	102.1 Å²	102.1	55%	0.548	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-38.2	176.4	-70.3	174.6	-176.5	178	0	112.8	D322 L323 D329 L330	D322-K326 WeakPolarHBondContact O-CG 3.45Å; D322-K326 PolarHBondContact O-N 3.35Å; L323-K326 PolarHBondContact O-N 3.49Å; K326-D329 PolarHBondContact O-N 3.45Å; K326-L330 WeakPolarHBondContact O-CB 3.38Å; K326-L330 WeakPolarHBondContact O-CG 3.4Å; K326-L330 PolarHBondContact O-N 2.95Å
327	L	89.5	Confident	94.6	Very high	100 Å²	100	101.9 Å²	101.9	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-49.3	174.8	-168.8	86.9	0	0	0	110.4	L323 R324 G325 D329 L330 E331	L323-L327 WeakPolarHBondContact O-CB 3.28Å; L323-L327 PolarHBondContact O-N 2.92Å; R324-L327 PolarHBondContact O-N 3.28Å; G325-L327 VanDerWaalsContact C-N 3.31Å; G325-L327 PolarHBondContact O-N 3.48Å; L327-D329 VanDerWaalsContact C-N 3.34Å; L327-D329 PolarHBondContact O-N 2.92Å; L327-L330 PolarHBondContact O-N 3.26Å; L327-E331 WeakPolarHBondContact O-CB 3.48Å; L327-E331 WeakPolarHBondContact O-CG 3.45Å; L327-E331 PolarHBondContact O-N 2.93Å
328	A	95.1	Very high	94.6	Very high	54 Å²	54	98.2 Å²	98.2	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-39.5	178	0	0	0	0	0	112.6	R324 G325 E331 G332	R324-A328 PolarHBondContact O-N 3.42Å; G325-A328 PolarHBondContact O-N 2.91Å; A328-E331 PolarHBondContact O-N 3.3Å; A328-G332 PolarHBondContact O-N 3.41Å
329	D	95.2	Very high	94.6	Very high	108 Å²	108	101.6 Å²	101.6	58%	0.578	52%	0.521	S	S	*	.	H	α-helix	trans	-64.5	-41.1	175.3	-70.7	-23.4	0	0	0	112.2	G325 K326 L327 K333	G325-D329 PolarHBondContact O-N 3.2Å; K326-D329 PolarHBondContact O-N 3.45Å; L327-D329 VanDerWaalsContact C-N 3.34Å; L327-D329 PolarHBondContact O-N 2.92Å; D329-K333 WeakPolarHBondContact O-CG 3.33Å; D329-K333 PolarHBondContact O-N 3.31Å
330	L	92.8	Very high	94.8	Very high	113 Å²	113	101.9 Å²	101.9	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-68.8	-40.4	176.8	-75.2	172.9	0	0	0	111.7	K326 L327 K333 N334	K326-L330 WeakPolarHBondContact O-CB 3.38Å; K326-L330 WeakPolarHBondContact O-CG 3.4Å; K326-L330 PolarHBondContact O-N 2.95Å; L327-L330 PolarHBondContact O-N 3.26Å; L330-K333 PolarHBondContact O-N 3.31Å; L330-N334 WeakPolarHBondContact O-CB 3.46Å; L330-N334 PolarHBondContact O-N 3.48Å
331	E	95.9	Very high	94.8	Very high	114 Å²	114	101 Å²	101	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-60.5	-45.7	173.1	-74.4	172.7	172.6	0	0	111	L327 A328 K333 N334 V335	L327-E331 WeakPolarHBondContact O-CB 3.48Å; L327-E331 WeakPolarHBondContact O-CG 3.45Å; L327-E331 PolarHBondContact O-N 2.93Å; A328-E331 PolarHBondContact O-N 3.3Å; E331-K333 PolarHBondContact O-N 2.89Å; E331-N334 PolarHBondContact O-N 2.97Å; E331-V335 WeakPolarHBondContact O-CG2 3.45Å; E331-V335 PolarHBondContact O-N 3.05Å
332	G	96.1	Very high	94.9	Very high	43 Å²	43	100.6 Å²	100.6	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-41.1	175.9	0	0	0	0	0	113.2	A328 M336	A328-G332 PolarHBondContact O-N 3.41Å; G332-M336 PolarHBondContact O-N 3.36Å; G332-M336 VanDerWaalsContact O-N 3.1Å
333	K	95.6	Very high	95	Very high	123 Å²	123	101.9 Å²	101.9	54%	0.535	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-39.5	173.8	-75.1	173.1	-176.6	174.3	0	112.3	D329 L330 E331 M336 L337	D329-K333 WeakPolarHBondContact O-CG 3.33Å; D329-K333 PolarHBondContact O-N 3.31Å; L330-K333 PolarHBondContact O-N 3.31Å; E331-K333 PolarHBondContact O-N 2.89Å; K333-M336 WeakPolarHBondContact O-CB 3.33Å; K333-M336 PolarHBondContact O-N 3.34Å; K333-L337 WeakPolarHBondContact O-CG 3.36Å; K333-L337 PolarHBondContact O-N 3.21Å
334	N	91.4	Very high	95.1	Very high	86 Å²	86	102.8 Å²	102.8	46%	0.46	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-45.5	178.6	-166.5	47.2	0	0	0	110.9	L330 E331 M336 L337 E338	L330-N334 WeakPolarHBondContact O-CB 3.46Å; L330-N334 PolarHBondContact O-N 3.48Å; E331-N334 PolarHBondContact O-N 2.97Å; N334-M336 VanDerWaalsContact C-N 3.31Å; N334-M336 PolarHBondContact O-N 3.22Å; N334-L337 PolarHBondContact O-N 3.47Å; N334-E338 PolarHBondContact ND2-OE1 3.49Å; N334-E338 WeakPolarHBondContact O-CB 3.3Å; N334-E338 VanDerWaalsContact O-CG 3.32Å; N334-E338 WeakPolarHBondContact O-CG 3.39Å; N334-E338 PolarHBondContact O-N 2.88Å
335	V	97	Very high	95.1	Very high	95 Å²	95	99.3 Å²	99.3	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-59.7	-40.7	174.7	172.9	0	0	0	0	111.9	E331 K339	E331-V335 WeakPolarHBondContact O-CG2 3.45Å; E331-V335 PolarHBondContact O-N 3.05Å; V335-K339 WeakPolarHBondContact O-CB 2.83Å; V335-K339 PolarHBondContact O-N 2.99Å
336	M	96.4	Very high	95.1	Very high	123 Å²	123	103.2 Å²	103.2	61%	0.606	53%	0.53	S	S	*	.	H	α-helix	trans	-62.8	-46.5	176.2	-174.5	-147.2	-63.9	0	0	111.9	G332 K333 N334 K339 Q340	G332-M336 PolarHBondContact O-N 3.36Å; G332-M336 VanDerWaalsContact O-N 3.1Å; K333-M336 WeakPolarHBondContact O-CB 3.33Å; K333-M336 PolarHBondContact O-N 3.34Å; N334-M336 VanDerWaalsContact C-N 3.31Å; N334-M336 PolarHBondContact O-N 3.22Å; M336-K339 PolarHBondContact O-N 2.9Å; M336-Q340 PolarHBondContact O-N 2.93Å
337	L	95.4	Very high	95.2	Very high	93 Å²	93	101.4 Å²	101.4	49%	0.487	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-41.2	179.4	-73.4	171.5	0	0	0	111.7	K333 N334 K339 Q340 V341	K333-L337 WeakPolarHBondContact O-CG 3.36Å; K333-L337 PolarHBondContact O-N 3.21Å; N334-L337 PolarHBondContact O-N 3.47Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.03Å; L337-Q340 PolarHBondContact O-N 3.12Å; L337-V341 WeakPolarHBondContact O-CG2 3.36Å; L337-V341 PolarHBondContact O-N 2.89Å
338	E	96	Very high	95.5	Very high	99 Å²	99	101 Å²	101	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-59.1	-44	174.3	-75.7	173.1	-176.6	0	0	111.3	N334 Q340 V341 Q342	N334-E338 PolarHBondContact ND2-OE1 3.49Å; N334-E338 WeakPolarHBondContact O-CB 3.3Å; N334-E338 VanDerWaalsContact O-CG 3.32Å; N334-E338 WeakPolarHBondContact O-CG 3.39Å; N334-E338 PolarHBondContact O-N 2.88Å; E338-Q340 PolarHBondContact O-N 3.05Å; E338-V341 PolarHBondContact O-N 3.36Å; E338-Q342 WeakPolarHBondContact O-CG 3.34Å; E338-Q342 PolarHBondContact O-N 3.46Å
339	K	96.7	Very high	95.6	Very high	145 Å²	145	102.7 Å²	102.7	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-62.9	-41.1	174.5	-174.6	178.8	177.6	-178.5	0	112.1	V335 M336 L337 Q342 E343	V335-K339 WeakPolarHBondContact O-CB 2.83Å; V335-K339 PolarHBondContact O-N 2.99Å; M336-K339 PolarHBondContact O-N 2.9Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.03Å; K339-Q342 PolarHBondContact O-N 3.46Å; K339-E343 PolarHBondContact O-N 2.89Å
340	Q	96.9	Very high	95.6	Very high	106 Å²	106	100.5 Å²	100.5	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-39.6	177.7	-173.4	177.7	15.6	0	0	112.1	M336 L337 E338 E343 L344	M336-Q340 PolarHBondContact O-N 2.93Å; L337-Q340 PolarHBondContact O-N 3.12Å; E338-Q340 PolarHBondContact O-N 3.05Å; Q340-E343 PolarHBondContact O-N 3.49Å; Q340-L344 HydrophobicContact CG-CD1 4.2Å; Q340-L344 WeakPolarHBondContact O-CB 3.32Å; Q340-L344 WeakPolarHBondContact O-CG 3.05Å; Q340-L344 PolarHBondContact O-N 2.96Å
341	V	94.2	Very high	95.8	Very high	80 Å²	80	97.5 Å²	97.5	49%	0.485	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.7	170.1	0	0	0	0	110.9	L337 E338 L344 N345	L337-V341 WeakPolarHBondContact O-CG2 3.36Å; L337-V341 PolarHBondContact O-N 2.89Å; E338-V341 PolarHBondContact O-N 3.36Å; V341-L344 PolarHBondContact O-N 2.7Å; V341-N345 WeakPolarHBondContact O-CB 3.35Å; V341-N345 VanDerWaalsContact O-CG 3.28Å; V341-N345 PolarHBondContact O-N 3.13Å; V341-N345 PolarHBondContact O-ND2 3.47Å
342	Q	96.5	Very high	95.8	Very high	128 Å²	128	96.7 Å²	96.7	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-61.7	-44.5	175.7	-73.1	173.7	6	0	0	112.2	E338 K339 N345 H346	E338-Q342 WeakPolarHBondContact O-CG 3.34Å; E338-Q342 PolarHBondContact O-N 3.46Å; K339-Q342 PolarHBondContact O-N 3.46Å; Q342-N345 PolarHBondContact O-N 3.01Å; Q342-H346 PolarHBondContact O-N 3.33Å
343	E	96.1	Very high	95.8	Very high	125 Å²	125	101.2 Å²	101.2	58%	0.584	49%	0.493	S	S	*	.	H	α-helix	trans	-61.6	-47.4	176.6	-173.7	67.1	-152.4	0	0	111.7	K339 Q340 N345 H346 Q347	K339-E343 PolarHBondContact O-N 2.89Å; Q340-E343 PolarHBondContact O-N 3.49Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 2.96Å; E343-H346 PolarHBondContact O-N 3.29Å; E343-Q347 PolarHBondContact O-N 3.4Å
344	L	95.3	Very high	95.9	Very high	106 Å²	106	101.1 Å²	101.1	56%	0.555	49%	0.494	S	S	*	.	H	α-helix	trans	-64.1	-36.5	178.3	-75.9	169.8	0	0	0	112.4	Q340 V341 Q347 L348	Q340-L344 HydrophobicContact CG-CD1 4.2Å; Q340-L344 WeakPolarHBondContact O-CB 3.32Å; Q340-L344 WeakPolarHBondContact O-CG 3.05Å; Q340-L344 PolarHBondContact O-N 2.96Å; V341-L344 PolarHBondContact O-N 2.7Å; L344-Q347 PolarHBondContact O-N 3.5Å; L344-L348 WeakPolarHBondContact O-CB 3.37Å; L344-L348 PolarHBondContact O-N 2.94Å
345	N	95.5	Very high	96	Very high	83 Å²	83	105.4 Å²	105.4	44%	0.444	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-43.3	174.8	-76.3	-20.4	0	0	0	111.6	V341 Q342 E343 Q347 L348 E349	V341-N345 WeakPolarHBondContact O-CB 3.35Å; V341-N345 VanDerWaalsContact O-CG 3.28Å; V341-N345 PolarHBondContact O-N 3.13Å; V341-N345 PolarHBondContact O-ND2 3.47Å; Q342-N345 PolarHBondContact O-N 3.01Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 2.96Å; N345-Q347 VanDerWaalsContact C-N 3.34Å; N345-Q347 PolarHBondContact O-N 3.32Å; N345-L348 PolarHBondContact O-N 3.42Å; N345-E349 WeakPolarHBondContact O-CG 3.34Å; N345-E349 PolarHBondContact O-N 2.96Å
346	H	95.4	Very high	96	Very high	118 Å²	118	107.3 Å²	107.3	55%	0.546	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-45.8	173.7	-101.9	62.4	0	0	0	111.5	Q342 E343 L348 E349 D350	Q342-H346 PolarHBondContact O-N 3.33Å; E343-H346 PolarHBondContact O-N 3.29Å; H346-L348 VanDerWaalsContact C-N 3.34Å; H346-L348 PolarHBondContact O-N 3.4Å; H346-E349 PolarHBondContact O-N 3.02Å; H346-D350 PolarHBondContact O-N 2.88Å
347	Q	96.8	Very high	96	Very high	88 Å²	88	108.1 Å²	108.1	41%	0.411	51%	0.512	S	S	.	.	H	α-helix	trans	-60.5	-43.7	176.9	-174.2	61.7	46.9	0	0	111.7	E343 L344 N345 D350 D351	E343-Q347 PolarHBondContact O-N 3.4Å; L344-Q347 PolarHBondContact O-N 3.5Å; N345-Q347 VanDerWaalsContact C-N 3.34Å; N345-Q347 PolarHBondContact O-N 3.32Å; Q347-D350 PolarHBondContact O-N 2.83Å; Q347-D351 PolarHBondContact NE2-OD1 3.22Å; Q347-D351 WeakPolarHBondContact O-CB 3.39Å; Q347-D351 PolarHBondContact O-N 3.18Å
348	L	95	Very high	96	Very high	92 Å²	92	105.7 Å²	105.7	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177.9	-175.5	70.1	0	0	0	112	L344 N345 H346 D351 Q352	L344-L348 WeakPolarHBondContact O-CB 3.37Å; L344-L348 PolarHBondContact O-N 2.94Å; N345-L348 PolarHBondContact O-N 3.42Å; H346-L348 VanDerWaalsContact C-N 3.34Å; H346-L348 PolarHBondContact O-N 3.4Å; L348-D351 PolarHBondContact O-N 3.45Å; L348-Q352 WeakPolarHBondContact O-CB 3.32Å; L348-Q352 VanDerWaalsContact O-CG 3.24Å; L348-Q352 WeakPolarHBondContact O-CG 3.36Å; L348-Q352 PolarHBondContact O-N 3.49Å
349	E	96.8	Very high	96	Very high	88 Å²	88	106.4 Å²	106.4	41%	0.411	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-42	176.1	-74.8	178.4	-160.9	0	0	111.7	N345 H346 Q352 R353	N345-E349 WeakPolarHBondContact O-CG 3.34Å; N345-E349 PolarHBondContact O-N 2.96Å; H346-E349 PolarHBondContact O-N 3.02Å; E349-Q352 PolarHBondContact O-N 3.37Å; E349-R353 WeakPolarHBondContact O-CG 3.41Å; E349-R353 PolarHBondContact O-N 3.26Å
350	D	96.6	Very high	96	Very high	63 Å²	63	104.2 Å²	104.2	34%	0.337	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-39.5	177.6	-77.3	-19.8	0	0	0	112.2	H346 Q347 R353 Q354	H346-D350 PolarHBondContact O-N 2.88Å; Q347-D350 PolarHBondContact O-N 2.83Å; D350-R353 PolarHBondContact O-N 3.3Å; D350-R353 IonicContact OD1-NH1 2.59Å; D350-R353 PolarHBondContact OD1-NH1 3.2Å; D350-Q354 WeakPolarHBondContact O-CG 3.24Å; D350-Q354 PolarHBondContact O-N 3.26Å
351	D	96	Very high	96	Very high	50 Å²	50	102.5 Å²	102.5	27%	0.267	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-42.3	174.4	-70.8	-16	0	0	0	111.1	Q347 L348 R353 Q354 Y355	Q347-D351 PolarHBondContact NE2-OD1 3.22Å; Q347-D351 WeakPolarHBondContact O-CB 3.39Å; Q347-D351 PolarHBondContact O-N 3.18Å; L348-D351 PolarHBondContact O-N 3.45Å; D351-R353 PolarHBondContact O-N 2.93Å; D351-Q354 PolarHBondContact O-N 3.35Å; D351-Y355 HydrophobicContact CB-CE2 4.27Å; D351-Y355 WeakPolarHBondContact O-CD2 3.27Å; D351-Y355 PolarHBondContact O-N 2.91Å
352	Q	96.5	Very high	96	Very high	97 Å²	97	105.1 Å²	105.1	45%	0.453	50%	0.502	S	S	.	.	H	α-helix	trans	-58.5	-46.7	174.2	-78.3	175	5.7	0	0	111.6	L348 E349 Q354 Y355 E356	L348-Q352 WeakPolarHBondContact O-CB 3.32Å; L348-Q352 VanDerWaalsContact O-CG 3.24Å; L348-Q352 WeakPolarHBondContact O-CG 3.36Å; L348-Q352 PolarHBondContact O-N 3.49Å; E349-Q352 PolarHBondContact O-N 3.37Å; Q352-Q354 VanDerWaalsContact C-N 3.32Å; Q352-Q354 PolarHBondContact O-N 2.89Å; Q352-Y355 PolarHBondContact O-N 3.45Å; Q352-E356 WeakPolarHBondContact O-CG 3.21Å; Q352-E356 PolarHBondContact O-N 2.84Å
353	R	96.9	Very high	95.9	Very high	138 Å²	138	102 Å²	102	52%	0.521	49%	0.489	S	S	.	.	H	α-helix	trans	-59.3	-42.3	175.6	-71.9	170.5	-174.9	164	4.4	111.9	E349 D350 D351 E356 M357	E349-R353 WeakPolarHBondContact O-CG 3.41Å; E349-R353 PolarHBondContact O-N 3.26Å; D350-R353 PolarHBondContact O-N 3.3Å; D350-R353 IonicContact OD1-NH1 2.59Å; D350-R353 PolarHBondContact OD1-NH1 3.2Å; D351-R353 PolarHBondContact O-N 2.93Å; R353-E356 PolarHBondContact O-N 2.95Å; R353-M357 WeakPolarHBondContact O-CB 3.29Å; R353-M357 VanDerWaalsContact O-CG 3.27Å; R353-M357 WeakPolarHBondContact O-CG 3.33Å; R353-M357 PolarHBondContact O-N 2.91Å
354	Q	96.1	Very high	95.9	Very high	121 Å²	121	98 Å²	98	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-63.6	-42.8	176.9	-72.3	176.8	44.3	0	0	112	D350 D351 Q352 M357 A358	D350-Q354 WeakPolarHBondContact O-CG 3.24Å; D350-Q354 PolarHBondContact O-N 3.26Å; D351-Q354 PolarHBondContact O-N 3.35Å; Q352-Q354 VanDerWaalsContact C-N 3.32Å; Q352-Q354 PolarHBondContact O-N 2.89Å; Q354-M357 PolarHBondContact O-N 3.38Å; Q354-A358 WeakPolarHBondContact O-CB 3.38Å; Q354-A358 PolarHBondContact O-N 3Å
355	Y	94.6	Very high	96	Very high	176 Å²	176	97.4 Å²	97.4	69%	0.69	47%	0.472	S	S	*	.	H	α-helix	trans	-65.2	-41	176.1	-72.4	-53	0	0	0	112.4	D351 Q352 A358 L359	D351-Y355 HydrophobicContact CB-CE2 4.27Å; D351-Y355 WeakPolarHBondContact O-CD2 3.27Å; D351-Y355 PolarHBondContact O-N 2.91Å; Q352-Y355 PolarHBondContact O-N 3.45Å; Y355-A358 PolarHBondContact O-N 3.01Å; Y355-L359 WeakPolarHBondContact O-CB 3.38Å; Y355-L359 PolarHBondContact O-N 3.42Å
356	E	96.4	Very high	95.9	Very high	134 Å²	134	97.5 Å²	97.5	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-62.5	-43.7	175.2	-74.5	179.6	175.8	0	0	111.9	Q352 R353 L359 N360	Q352-E356 WeakPolarHBondContact O-CG 3.21Å; Q352-E356 PolarHBondContact O-N 2.84Å; R353-E356 PolarHBondContact O-N 2.95Å; E356-L359 PolarHBondContact O-N 3.42Å; E356-N360 WeakPolarHBondContact O-CB 3.49Å; E356-N360 PolarHBondContact O-N 3.26Å
357	M	95.5	Very high	95.9	Very high	141 Å²	141	97.5 Å²	97.5	70%	0.695	47%	0.467	S	S	*	.	H	α-helix	trans	-61.4	-44.5	174.5	-72.5	175.8	66.6	0	0	111.7	R353 Q354 N360 D361	R353-M357 WeakPolarHBondContact O-CB 3.29Å; R353-M357 VanDerWaalsContact O-CG 3.27Å; R353-M357 WeakPolarHBondContact O-CG 3.33Å; R353-M357 PolarHBondContact O-N 2.91Å; Q354-M357 PolarHBondContact O-N 3.38Å; M357-N360 PolarHBondContact O-N 3.2Å; M357-D361 PolarHBondContact O-N 2.92Å
358	A	96.6	Very high	95.9	Very high	41 Å²	41	99.4 Å²	99.4	34%	0.339	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-40.5	177.8	0	0	0	0	0	112.1	Q354 Y355 D361 R362	Q354-A358 WeakPolarHBondContact O-CB 3.38Å; Q354-A358 PolarHBondContact O-N 3Å; Y355-A358 PolarHBondContact O-N 3.01Å; A358-D361 PolarHBondContact O-N 3.36Å; A358-R362 WeakPolarHBondContact O-CG 3.45Å; A358-R362 PolarHBondContact O-N 2.84Å
359	L	95.5	Very high	95.9	Very high	114 Å²	114	99.9 Å²	99.9	60%	0.597	48%	0.475	S	S	*	.	H	α-helix	trans	-61.4	-48.2	175.7	-168	88.9	0	0	0	110.5	Y355 E356 D361 R362 D363	Y355-L359 WeakPolarHBondContact O-CB 3.38Å; Y355-L359 PolarHBondContact O-N 3.42Å; E356-L359 PolarHBondContact O-N 3.42Å; L359-D361 VanDerWaalsContact C-N 3.34Å; L359-D361 PolarHBondContact O-N 2.98Å; L359-R362 PolarHBondContact O-N 3.08Å; L359-D363 PolarHBondContact O-N 2.96Å
360	N	96.1	Very high	95.8	Very high	100 Å²	100	103 Å²	103	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-63.8	-38.1	-179.9	-173.1	41	0	0	0	112.4	E356 M357 D363 A364	E356-N360 WeakPolarHBondContact O-CB 3.49Å; E356-N360 PolarHBondContact O-N 3.26Å; M357-N360 PolarHBondContact O-N 3.2Å; N360-D363 PolarHBondContact O-N 2.84Å; N360-A364 WeakPolarHBondContact O-CB 3.38Å; N360-A364 PolarHBondContact O-N 2.99Å
361	D	97.3	Very high	95.8	Very high	70 Å²	70	106.2 Å²	106.2	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-45.1	172.8	177.5	66.2	0	0	0	111.7	M357 A358 L359 A364 Q365	M357-D361 PolarHBondContact O-N 2.92Å; A358-D361 PolarHBondContact O-N 3.36Å; L359-D361 VanDerWaalsContact C-N 3.34Å; L359-D361 PolarHBondContact O-N 2.98Å; D361-A364 PolarHBondContact O-N 3.36Å; D361-Q365 WeakPolarHBondContact O-CG 3.43Å; D361-Q365 PolarHBondContact O-N 3.19Å; D361-Q365 PolarHBondContact OD2-NE2 3.29Å
362	R	94.3	Very high	95.8	Very high	134 Å²	134	108.3 Å²	108.3	51%	0.506	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-41.3	175.5	-68.6	-52.3	108.7	78	1.4	112.5	A358 L359 A364 Q365 L366	A358-R362 WeakPolarHBondContact O-CG 3.45Å; A358-R362 PolarHBondContact O-N 2.84Å; L359-R362 PolarHBondContact O-N 3.08Å; R362-A364 VanDerWaalsContact C-N 3.3Å; R362-A364 PolarHBondContact O-N 2.78Å; R362-Q365 PolarHBondContact O-N 3.25Å; R362-L366 WeakPolarHBondContact O-CB 3.25Å; R362-L366 WeakPolarHBondContact O-CG 3.41Å; R362-L366 PolarHBondContact O-N 3.46Å
363	D	95.4	Very high	95.7	Very high	63 Å²	63	107.1 Å²	107.1	34%	0.337	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-35.9	176.4	-79.1	-26.6	0	0	0	111.9	L359 N360 L366 R367	L359-D363 PolarHBondContact O-N 2.96Å; N360-D363 PolarHBondContact O-N 2.84Å; D363-L366 PolarHBondContact O-N 3.41Å; D363-R367 WeakPolarHBondContact O-CB 3.39Å; D363-R367 WeakPolarHBondContact O-CG 3.39Å; D363-R367 PolarHBondContact O-N 3.18Å
364	A	96.1	Very high	95.6	Very high	41 Å²	41	107 Å²	107	34%	0.339	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-43.4	172.6	0	0	0	0	0	112.1	N360 D361 R362 R367 K368	N360-A364 WeakPolarHBondContact O-CB 3.38Å; N360-A364 PolarHBondContact O-N 2.99Å; D361-A364 PolarHBondContact O-N 3.36Å; R362-A364 VanDerWaalsContact C-N 3.3Å; R362-A364 PolarHBondContact O-N 2.78Å; A364-R367 PolarHBondContact O-N 3.47Å; A364-K368 WeakPolarHBondContact O-CB 3.42Å; A364-K368 PolarHBondContact O-N 3.46Å
365	Q	96.7	Very high	95.5	Very high	93 Å²	93	104.1 Å²	104.1	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-63.4	-43.3	174.3	-68.1	178.2	41.4	0	0	111.9	D361 R362 R367 K368 M369	D361-Q365 WeakPolarHBondContact O-CG 3.43Å; D361-Q365 PolarHBondContact O-N 3.19Å; D361-Q365 PolarHBondContact OD2-NE2 3.29Å; R362-Q365 PolarHBondContact O-N 3.25Å; Q365-R367 PolarHBondContact O-N 2.93Å; Q365-K368 PolarHBondContact O-N 3.13Å; Q365-M369 WeakPolarHBondContact O-CG 3.46Å; Q365-M369 PolarHBondContact O-N 3.37Å
366	L	94.3	Very high	95.5	Very high	85 Å²	85	100.4 Å²	100.4	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.5	-80.6	170.1	0	0	0	112.2	R362 D363 M369 R370	R362-L366 WeakPolarHBondContact O-CB 3.25Å; R362-L366 WeakPolarHBondContact O-CG 3.41Å; R362-L366 PolarHBondContact O-N 3.46Å; D363-L366 PolarHBondContact O-N 3.41Å; L366-M369 PolarHBondContact O-N 2.95Å; L366-R370 WeakPolarHBondContact O-CB 3.44Å; L366-R370 VanDerWaalsContact O-CG 3.28Å; L366-R370 WeakPolarHBondContact O-CG 3.31Å; L366-R370 PolarHBondContact O-N 2.86Å
367	R	95.3	Very high	95.5	Very high	118 Å²	118	98.6 Å²	98.6	45%	0.445	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-49	173.9	-80.9	-177.6	-114.5	106.4	0.6	111	D363 A364 Q365 M369 R370 E371	D363-R367 WeakPolarHBondContact O-CB 3.39Å; D363-R367 WeakPolarHBondContact O-CG 3.39Å; D363-R367 PolarHBondContact O-N 3.18Å; A364-R367 PolarHBondContact O-N 3.47Å; Q365-R367 PolarHBondContact O-N 2.93Å; R367-M369 PolarHBondContact O-N 3.44Å; R367-R370 PolarHBondContact O-N 2.86Å; R367-E371 WeakPolarHBondContact O-CG 3.3Å; R367-E371 PolarHBondContact O-N 2.91Å
368	K	96	Very high	95.4	Very high	128 Å²	128	95.8 Å²	95.8	56%	0.557	49%	0.492	S	S	*	.	H	α-helix	trans	-58.2	-48.1	177.3	-174.9	-179.9	174.9	-174.3	0	112.4	A364 Q365 R370 E371 E372	A364-K368 WeakPolarHBondContact O-CB 3.42Å; A364-K368 PolarHBondContact O-N 3.46Å; Q365-K368 PolarHBondContact O-N 3.13Å; K368-R370 VanDerWaalsContact C-N 3.32Å; K368-R370 PolarHBondContact O-N 3.3Å; K368-E371 PolarHBondContact O-N 2.93Å; K368-E372 WeakPolarHBondContact CE-OE1 3.45Å; K368-E372 WeakPolarHBondContact O-CG 3.39Å; K368-E372 PolarHBondContact O-N 3.31Å
369	M	95.2	Very high	95.4	Very high	103 Å²	103	100.4 Å²	100.4	51%	0.507	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-37.6	177.8	-70.2	-57.5	-53.1	0	0	112.3	Q365 L366 R367 E372 C373	Q365-M369 WeakPolarHBondContact O-CG 3.46Å; Q365-M369 PolarHBondContact O-N 3.37Å; L366-M369 PolarHBondContact O-N 2.95Å; R367-M369 PolarHBondContact O-N 3.44Å; M369-E372 PolarHBondContact O-N 3.4Å; M369-C373 WeakPolarHBondContact O-CB 3.45Å; M369-C373 PolarHBondContact O-N 2.91Å; M369-C373 PolarHBondContact O-SG 3.27Å
370	R	94.8	Very high	95.4	Very high	152 Å²	152	99.8 Å²	99.8	57%	0.574	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-43.6	174.8	-76.8	175.1	179.3	140.9	0.3	111.7	L366 R367 K368 C373 H374	L366-R370 WeakPolarHBondContact O-CB 3.44Å; L366-R370 VanDerWaalsContact O-CG 3.28Å; L366-R370 WeakPolarHBondContact O-CG 3.31Å; L366-R370 PolarHBondContact O-N 2.86Å; R367-R370 PolarHBondContact O-N 2.86Å; K368-R370 VanDerWaalsContact C-N 3.32Å; K368-R370 PolarHBondContact O-N 3.3Å; R370-C373 PolarHBondContact O-N 3.2Å; R370-H374 WeakPolarHBondContact O-CB 3.4Å; R370-H374 PolarHBondContact O-CD2 2.89Å; R370-H374 PolarHBondContact O-N 3.46Å
371	E	95.9	Very high	95.2	Very high	132 Å²	132	99.6 Å²	99.6	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-60.4	-44.3	174.9	-72.5	167.3	-167.1	0	0	111.3	R367 K368 H374 A375	R367-E371 WeakPolarHBondContact O-CG 3.3Å; R367-E371 PolarHBondContact O-N 2.91Å; K368-E371 PolarHBondContact O-N 2.93Å; E371-H374 PolarHBondContact O-N 3.5Å; E371-A375 WeakPolarHBondContact O-CB 3.47Å; E371-A375 PolarHBondContact O-N 3.38Å
372	E	96.7	Very high	95.1	Very high	93 Å²	93	98.8 Å²	98.8	44%	0.435	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.1	-72.7	174.6	-172.1	0	0	112.2	K368 M369 A375 L376	K368-E372 WeakPolarHBondContact CE-OE1 3.45Å; K368-E372 WeakPolarHBondContact O-CG 3.39Å; K368-E372 PolarHBondContact O-N 3.31Å; M369-E372 PolarHBondContact O-N 3.4Å; E372-A375 PolarHBondContact O-N 2.89Å; E372-L376 WeakPolarHBondContact O-CB 3.37Å; E372-L376 PolarHBondContact O-N 3.45Å
373	C	93.6	Very high	95.1	Very high	73 Å²	73	97.8 Å²	97.8	49%	0.493	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-43.9	174.4	-74.6	0	0	0	0	112	M369 R370 A375 L376 V377	M369-C373 WeakPolarHBondContact O-CB 3.45Å; M369-C373 PolarHBondContact O-N 2.91Å; M369-C373 PolarHBondContact O-SG 3.27Å; R370-C373 PolarHBondContact O-N 3.2Å; C373-A375 VanDerWaalsContact C-N 3.35Å; C373-L376 PolarHBondContact O-N 2.95Å; C373-V377 VanDerWaalsContact O-CG2 3.31Å; C373-V377 WeakPolarHBondContact O-CG2 3.22Å; C373-V377 PolarHBondContact O-N 3.41Å
374	H	94.4	Very high	95.1	Very high	136 Å²	136	98.4 Å²	98.4	63%	0.63	51%	0.509	S	S	*	.	H	α-helix	trans	-62.7	-41.5	176.7	-78.8	-56.4	0	0	0	111.9	R370 E371 V377 S378	R370-H374 WeakPolarHBondContact O-CB 3.4Å; R370-H374 PolarHBondContact O-CD2 2.89Å; R370-H374 PolarHBondContact O-N 3.46Å; E371-H374 PolarHBondContact O-N 3.5Å; H374-V377 PolarHBondContact O-N 3Å; H374-S378 PolarHBondContact O-N 3.41Å
375	A	95.4	Very high	94.9	Very high	60 Å²	60	100.2 Å²	100.2	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-47.1	174.9	0	0	0	0	0	111.5	E371 E372 C373 V377 S378 E379	E371-A375 WeakPolarHBondContact O-CB 3.47Å; E371-A375 PolarHBondContact O-N 3.38Å; E372-A375 PolarHBondContact O-N 2.89Å; C373-A375 VanDerWaalsContact C-N 3.35Å; A375-V377 PolarHBondContact O-N 2.92Å; A375-S378 PolarHBondContact O-N 3.07Å; A375-E379 PolarHBondContact O-N 3.47Å
376	L	94.8	Very high	94.8	Very high	98 Å²	98	99 Å²	99	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-41.1	178.8	-174.3	65.9	0	0	0	112.3	E372 C373 E379 L380	E372-L376 WeakPolarHBondContact O-CB 3.37Å; E372-L376 PolarHBondContact O-N 3.45Å; C373-L376 PolarHBondContact O-N 2.95Å; L376-E379 PolarHBondContact O-N 3Å; L376-L380 HydrophobicContact CG-CD1 4.35Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 VanDerWaalsContact O-CG 3.31Å; L376-L380 WeakPolarHBondContact O-CG 3.44Å; L376-L380 PolarHBondContact O-N 3.31Å
377	V	95.3	Very high	94.8	Very high	95 Å²	95	100.2 Å²	100.2	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-64.4	-41.3	175.8	170.8	0	0	0	0	111.1	C373 H374 A375 E379 L380 Q381	C373-V377 VanDerWaalsContact O-CG2 3.31Å; C373-V377 WeakPolarHBondContact O-CG2 3.22Å; C373-V377 PolarHBondContact O-N 3.41Å; H374-V377 PolarHBondContact O-N 3Å; A375-V377 PolarHBondContact O-N 2.92Å; V377-E379 VanDerWaalsContact C-N 3.35Å; V377-L380 PolarHBondContact O-N 3.5Å; V377-Q381 PolarHBondContact O-N 3.4Å
378	S	94.6	Very high	94.7	Very high	83 Å²	83	99.7 Å²	99.7	58%	0.58	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-39.5	176	-169.4	0	0	0	0	112.2	H374 A375 Q381 A382	H374-S378 PolarHBondContact O-N 3.41Å; A375-S378 PolarHBondContact O-N 3.07Å; S378-Q381 PolarHBondContact O-N 3.41Å; S378-A382 PolarHBondContact O-N 3.35Å
379	E	95.9	Very high	94.6	Very high	138 Å²	138	98.1 Å²	98.1	65%	0.645	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-43.5	175.9	-172.8	178.6	-176.8	0	0	111.5	A375 L376 V377 Q381 A382 L383	A375-E379 PolarHBondContact O-N 3.47Å; L376-E379 PolarHBondContact O-N 3Å; V377-E379 VanDerWaalsContact C-N 3.35Å; E379-Q381 VanDerWaalsContact C-N 3.34Å; E379-Q381 PolarHBondContact O-N 3.09Å; E379-A382 PolarHBondContact O-N 3.26Å; E379-L383 WeakPolarHBondContact O-CB 3.35Å; E379-L383 PolarHBondContact O-N 3.47Å
380	L	94.5	Very high	94.5	Very high	101 Å²	101	97.3 Å²	97.3	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-38.1	175.4	-74.4	173.4	0	0	0	112.4	L376 V377 L383 L384	L376-L380 HydrophobicContact CG-CD1 4.35Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 VanDerWaalsContact O-CG 3.31Å; L376-L380 WeakPolarHBondContact O-CG 3.44Å; L376-L380 PolarHBondContact O-N 3.31Å; V377-L380 PolarHBondContact O-N 3.5Å; L380-L383 PolarHBondContact O-N 2.96Å; L380-L384 WeakPolarHBondContact O-CB 3.44Å; L380-L384 PolarHBondContact O-N 3.36Å
381	Q	93.4	Very high	94.3	Very high	96 Å²	96	93.4 Å²	93.4	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-45.8	175.6	-174.6	61.3	40.8	0	0	111.2	V377 S378 E379 L383 L384 D385	V377-Q381 PolarHBondContact O-N 3.4Å; S378-Q381 PolarHBondContact O-N 3.41Å; E379-Q381 VanDerWaalsContact C-N 3.34Å; E379-Q381 PolarHBondContact O-N 3.09Å; Q381-L383 VanDerWaalsContact C-N 3.25Å; Q381-L383 PolarHBondContact O-N 3.35Å; Q381-L384 WeakPolarHBondContact O-CB 3.4Å; Q381-L384 PolarHBondContact O-N 2.95Å; Q381-L384 VanDerWaalsContact O-N 3.11Å; Q381-D385 PolarHBondContact NE2-OD1 2.84Å; Q381-D385 VanDerWaalsContact O-CG 3.25Å; Q381-D385 PolarHBondContact O-N 2.91Å
382	A	94.3	Very high	93.9	Very high	53 Å²	53	89.6 Å²	89.6	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-59	-39.4	174.7	0	0	0	0	0	111.6	S378 E379 D385 T386	S378-A382 PolarHBondContact O-N 3.35Å; E379-A382 PolarHBondContact O-N 3.26Å; A382-D385 PolarHBondContact O-N 3.25Å; A382-T386 WeakPolarHBondContact O-CG2 3.28Å; A382-T386 PolarHBondContact O-N 2.95Å; A382-T386 PolarHBondContact O-OG1 3.32Å
383	L	94.5	Very high	93.6	Very high	113 Å²	113	88.8 Å²	88.8	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-66.9	-38.5	175.5	-169.9	64.2	0	0	0	112.3	E379 L380 Q381 T386 K387	E379-L383 WeakPolarHBondContact O-CB 3.35Å; E379-L383 PolarHBondContact O-N 3.47Å; L380-L383 PolarHBondContact O-N 2.96Å; Q381-L383 VanDerWaalsContact C-N 3.25Å; Q381-L383 PolarHBondContact O-N 3.35Å; L383-T386 WeakPolarHBondContact CA-OG1 3.4Å; L383-T386 PolarHBondContact O-OG1 2.88Å; L383-K387 VanDerWaalsContact O-CB 3.31Å; L383-K387 WeakPolarHBondContact O-CB 3.41Å; L383-K387 PolarHBondContact O-N 2.89Å
384	L	94.7	Very high	93.2	Very high	76 Å²	76	88.9 Å²	88.9	40%	0.398	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-44.8	174.8	179.6	62.6	0	0	0	111.4	L380 Q381 K387 Q388	L380-L384 WeakPolarHBondContact O-CB 3.44Å; L380-L384 PolarHBondContact O-N 3.36Å; Q381-L384 WeakPolarHBondContact O-CB 3.4Å; Q381-L384 PolarHBondContact O-N 2.95Å; Q381-L384 VanDerWaalsContact O-N 3.11Å; L384-K387 WeakPolarHBondContact O-CB 3.5Å; L384-K387 PolarHBondContact O-N 3.34Å; L384-Q388 HydrophobicContact CD1-CG 4.41Å; L384-Q388 WeakPolarHBondContact O-CG 3.4Å; L384-Q388 PolarHBondContact O-N 3.36Å
385	D	92.8	Very high	92.9	Very high	78 Å²	78	85 Å²	85	42%	0.417	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-45.4	178.7	-65.9	-15.1	0	0	0	110.7	Q381 A382 K387 Q388 M389	Q381-D385 PolarHBondContact NE2-OD1 2.84Å; Q381-D385 VanDerWaalsContact O-CG 3.25Å; Q381-D385 PolarHBondContact O-N 2.91Å; A382-D385 PolarHBondContact O-N 3.25Å; D385-K387 VanDerWaalsContact C-N 3.32Å; D385-K387 PolarHBondContact O-N 3.07Å; D385-Q388 PolarHBondContact O-N 3.43Å; D385-M389 WeakPolarHBondContact O-CB 3.2Å; D385-M389 PolarHBondContact O-N 2.99Å
386	T	94.7	Very high	92.3	Very high	69 Å²	69	85.8 Å²	85.8	42%	0.423	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-37.9	174.1	55.9	0	0	0	0	112.3	A382 L383 M389 L390	A382-T386 WeakPolarHBondContact O-CG2 3.28Å; A382-T386 PolarHBondContact O-N 2.95Å; A382-T386 PolarHBondContact O-OG1 3.32Å; L383-T386 WeakPolarHBondContact CA-OG1 3.4Å; L383-T386 PolarHBondContact O-OG1 2.88Å; T386-M389 WeakPolarHBondContact O-CB 3.46Å; T386-M389 PolarHBondContact O-N 2.83Å; T386-L390 WeakPolarHBondContact O-CG 3.48Å; T386-L390 PolarHBondContact O-N 3.35Å
387	K	94.7	Very high	91.6	Very high	109 Å²	109	87.5 Å²	87.5	47%	0.474	47%	0.469	S	S	.	.	H	α-helix	trans	-64.7	-44.1	175.9	-174.3	-90.5	179.9	176.8	0	111.6	L383 L384 D385 M389 L390 D391	L383-K387 VanDerWaalsContact O-CB 3.31Å; L383-K387 WeakPolarHBondContact O-CB 3.41Å; L383-K387 PolarHBondContact O-N 2.89Å; L384-K387 WeakPolarHBondContact O-CB 3.5Å; L384-K387 PolarHBondContact O-N 3.34Å; D385-K387 VanDerWaalsContact C-N 3.32Å; D385-K387 PolarHBondContact O-N 3.07Å; K387-M389 VanDerWaalsContact C-N 3.3Å; K387-M389 PolarHBondContact O-N 3.26Å; K387-L390 PolarHBondContact O-N 3.07Å; K387-D391 VanDerWaalsContact CD-OD2 3.31Å; K387-D391 WeakPolarHBondContact CD-OD2 3.09Å; K387-D391 WeakPolarHBondContact CE-OD2 3.46Å; K387-D391 IonicContact NZ-OD1 3.15Å; K387-D391 IonicContact NZ-OD2 3.82Å; K387-D391 PolarHBondContact NZ-OD2 3.36Å; K387-D391 WeakPolarHBondContact O-CB 3.2Å; K387-D391 PolarHBondContact O-N 3.23Å
388	Q	93.5	Very high	90.8	Very high	107 Å²	107	90.8 Å²	90.8	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-39.2	176.2	-72.5	178.3	-6.8	0	0	111.5	L384 D385 D391 A392	L384-Q388 HydrophobicContact CD1-CG 4.41Å; L384-Q388 WeakPolarHBondContact O-CG 3.4Å; L384-Q388 PolarHBondContact O-N 3.36Å; D385-Q388 PolarHBondContact O-N 3.43Å; Q388-D391 PolarHBondContact O-N 3.28Å; Q388-A392 WeakPolarHBondContact O-CB 3.15Å; Q388-A392 PolarHBondContact O-N 2.79Å
389	M	92.8	Very high	89.8	Confident	96 Å²	96	93.3 Å²	93.3	47%	0.473	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-50.3	174.1	-173.4	-80.1	-95.8	0	0	111	D385 T386 K387 D391 A392 E393	D385-M389 WeakPolarHBondContact O-CB 3.2Å; D385-M389 PolarHBondContact O-N 2.99Å; T386-M389 WeakPolarHBondContact O-CB 3.46Å; T386-M389 PolarHBondContact O-N 2.83Å; K387-M389 VanDerWaalsContact C-N 3.3Å; K387-M389 PolarHBondContact O-N 3.26Å; M389-D391 PolarHBondContact O-N 3.45Å; M389-A392 WeakPolarHBondContact O-CB 3.24Å; M389-A392 PolarHBondContact O-N 2.93Å; M389-A392 VanDerWaalsContact O-N 3.16Å; M389-E393 PolarHBondContact O-N 2.99Å; M389-E393 HydrophobicContact SD-CG 3.84Å
390	L	92.5	Very high	88.8	Confident	85 Å²	85	91.3 Å²	91.3	45%	0.445	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-39	177.4	-71.3	172.4	0	0	0	112.4	T386 K387 A392 E393 I394	T386-L390 WeakPolarHBondContact O-CG 3.48Å; T386-L390 PolarHBondContact O-N 3.35Å; K387-L390 PolarHBondContact O-N 3.07Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 3.22Å; L390-E393 PolarHBondContact O-N 3.39Å; L390-I394 WeakPolarHBondContact O-CB 3.31Å; L390-I394 WeakPolarHBondContact O-CD1 3.43Å; L390-I394 WeakPolarHBondContact O-CG1 3.46Å; L390-I394 PolarHBondContact O-N 3.46Å
391	D	92.3	Very high	87.7	Confident	71 Å²	71	92.9 Å²	92.9	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-39.9	174.5	-79.4	-16.5	0	0	0	111.8	K387 Q388 M389 I394 A395	K387-D391 VanDerWaalsContact CD-OD2 3.31Å; K387-D391 WeakPolarHBondContact CD-OD2 3.09Å; K387-D391 WeakPolarHBondContact CE-OD2 3.46Å; K387-D391 IonicContact NZ-OD1 3.15Å; K387-D391 IonicContact NZ-OD2 3.82Å; K387-D391 PolarHBondContact NZ-OD2 3.36Å; K387-D391 WeakPolarHBondContact O-CB 3.2Å; K387-D391 PolarHBondContact O-N 3.23Å; Q388-D391 PolarHBondContact O-N 3.28Å; M389-D391 PolarHBondContact O-N 3.45Å; D391-I394 PolarHBondContact O-N 2.93Å; D391-A395 WeakPolarHBondContact O-CB 3.44Å; D391-A395 PolarHBondContact O-N 3.45Å
392	A	86.9	Confident	86.4	Confident	51 Å²	51	95.9 Å²	95.9	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-43	176.2	0	0	0	0	0	111.5	Q388 M389 L390 A395 I396	Q388-A392 WeakPolarHBondContact O-CB 3.15Å; Q388-A392 PolarHBondContact O-N 2.79Å; M389-A392 WeakPolarHBondContact O-CB 3.24Å; M389-A392 PolarHBondContact O-N 2.93Å; M389-A392 VanDerWaalsContact O-N 3.16Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 3.22Å; A392-A395 WeakPolarHBondContact O-CB 3.31Å; A392-A395 PolarHBondContact O-N 3.45Å; A392-I396 WeakPolarHBondContact O-CG1 3.38Å; A392-I396 PolarHBondContact O-N 2.84Å
393	E	91	Very high	84.5	Confident	77 Å²	77	94.8 Å²	94.8	36%	0.36	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-47.1	173	-73	-173.3	166.2	0	0	111.4	M389 L390 A395 I396 Y397	M389-E393 PolarHBondContact O-N 2.99Å; M389-E393 HydrophobicContact SD-CG 3.84Å; L390-E393 PolarHBondContact O-N 3.39Å; E393-A395 VanDerWaalsContact C-N 3.29Å; E393-A395 PolarHBondContact O-N 2.92Å; E393-I396 PolarHBondContact O-N 3.3Å; E393-I396 VanDerWaalsContact O-N 3.14Å; E393-Y397 HydrophobicContact CB-CD2 4.36Å; E393-Y397 HydrophobicContact CB-CE2 4.04Å; E393-Y397 WeakPolarHBondContact O-CD2 3.45Å; E393-Y397 PolarHBondContact O-N 3.07Å
394	I	85.2	Confident	82.5	Confident	74 Å²	74	97 Å²	97	38%	0.379	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-40.1	176.2	-68.9	164.1	0	0	0	110.6	L390 D391 Y397 R398	L390-I394 WeakPolarHBondContact O-CB 3.31Å; L390-I394 WeakPolarHBondContact O-CD1 3.43Å; L390-I394 WeakPolarHBondContact O-CG1 3.46Å; L390-I394 PolarHBondContact O-N 3.46Å; D391-I394 PolarHBondContact O-N 2.93Å; I394-Y397 PolarHBondContact O-N 3.16Å; I394-R398 HydrophobicContact CG2-CG 4.34Å; I394-R398 WeakPolarHBondContact O-CB 3.48Å; I394-R398 VanDerWaalsContact O-CG 3.26Å; I394-R398 WeakPolarHBondContact O-CG 3.45Å; I394-R398 PolarHBondContact O-N 3.06Å
395	A	86.3	Confident	80.2	Confident	54 Å²	54	102.6 Å²	102.6	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-40.5	176	0	0	0	0	0	112	D391 A392 E393 K399	D391-A395 WeakPolarHBondContact O-CB 3.44Å; D391-A395 PolarHBondContact O-N 3.45Å; A392-A395 WeakPolarHBondContact O-CB 3.31Å; A392-A395 PolarHBondContact O-N 3.45Å; E393-A395 VanDerWaalsContact C-N 3.29Å; E393-A395 PolarHBondContact O-N 2.92Å; A395-K399 WeakPolarHBondContact O-CB 3.35Å; A395-K399 PolarHBondContact O-N 3.11Å
396	I	83	Confident	78	Confident	77 Å²	77	103.4 Å²	103.4	40%	0.395	52%	0.523	S	S	.	.	H	α-helix	trans	-65	-45.7	174.2	-65.8	163.8	0	0	0	110.4	A392 E393 R398 K399 M400	A392-I396 WeakPolarHBondContact O-CG1 3.38Å; A392-I396 PolarHBondContact O-N 2.84Å; E393-I396 PolarHBondContact O-N 3.3Å; E393-I396 VanDerWaalsContact O-N 3.14Å; I396-R398 PolarHBondContact O-N 2.83Å; I396-K399 CarbonylContact O-C 3.59Å; I396-K399 PolarHBondContact O-N 3.38Å; I396-K399 VanDerWaalsContact O-N 3.13Å; I396-M400 HydrophobicContact CG2-CG 4.42Å; I396-M400 HydrophobicContact CG2-SD 4.22Å; I396-M400 PolarHBondContact O-N 2.79Å
397	Y	80.5	Confident	75.7	Confident	135 Å²	135	111.7 Å²	111.7	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.6	-69.6	-51.7	0	0	0	112.1	E393 I394 K399 M400 L401	E393-Y397 HydrophobicContact CB-CD2 4.36Å; E393-Y397 HydrophobicContact CB-CE2 4.04Å; E393-Y397 WeakPolarHBondContact O-CD2 3.45Å; E393-Y397 PolarHBondContact O-N 3.07Å; I394-Y397 PolarHBondContact O-N 3.16Å; Y397-K399 VanDerWaalsContact C-N 3.28Å; Y397-K399 PolarHBondContact O-N 3.33Å; Y397-M400 PolarHBondContact O-N 3.28Å; Y397-L401 WeakPolarHBondContact O-CB 3.17Å; Y397-L401 WeakPolarHBondContact O-CG 3.45Å; Y397-L401 PolarHBondContact O-N 3.34Å
398	R	78.1	Confident	73.6	Confident	163 Å²	163	111.5 Å²	111.5	62%	0.615	57%	0.565	S	S	*	*	H	α-helix	trans	-56.5	-44.9	172.1	-76	175.1	-179.1	176.4	2.6	110.9	I394 I396 L401 E402	I394-R398 HydrophobicContact CG2-CG 4.34Å; I394-R398 WeakPolarHBondContact O-CB 3.48Å; I394-R398 VanDerWaalsContact O-CG 3.26Å; I394-R398 WeakPolarHBondContact O-CG 3.45Å; I394-R398 PolarHBondContact O-N 3.06Å; I396-R398 PolarHBondContact O-N 2.83Å; R398-L401 PolarHBondContact O-N 3.42Å; R398-E402 WeakPolarHBondContact O-CB 3.31Å; R398-E402 VanDerWaalsContact O-CG 3.3Å; R398-E402 WeakPolarHBondContact O-CG 3.34Å; R398-E402 PolarHBondContact O-N 2.87Å
399	K	74.6	Confident	71.5	Confident	136 Å²	136	108.6 Å²	108.6	59%	0.591	56%	0.564	S	S	*	*	H	α-helix	trans	-70.5	-32.2	179.8	-154.3	171.2	-169.6	176	0	113.4	A395 I396 Y397 G403	A395-K399 WeakPolarHBondContact O-CB 3.35Å; A395-K399 PolarHBondContact O-N 3.11Å; I396-K399 CarbonylContact O-C 3.59Å; I396-K399 PolarHBondContact O-N 3.38Å; I396-K399 VanDerWaalsContact O-N 3.13Å; Y397-K399 VanDerWaalsContact C-N 3.28Å; Y397-K399 PolarHBondContact O-N 3.33Å; K399-G403 WeakPolarHBondContact O-CA 3.3Å; K399-G403 PolarHBondContact O-N 3.02Å
400	M	74.9	Confident	69.4	Low	97 Å²	97	109.1 Å²	109.1	48%	0.478	57%	0.568	S	S	.	*	H	α-helix	trans	-68	-40.1	171.8	-79.6	179.4	59.9	0	0	111.6	I396 Y397 G403 E404 L410	I396-M400 HydrophobicContact CG2-CG 4.42Å; I396-M400 HydrophobicContact CG2-SD 4.22Å; I396-M400 PolarHBondContact O-N 2.79Å; Y397-M400 PolarHBondContact O-N 3.28Å; M400-G403 PolarHBondContact O-N 2.85Å; M400-E404 PolarHBondContact O-N 2.9Å; M400-L410 HydrophobicContact CG-CD1 4.45Å
401	L	71.1	Confident	67.5	Low	134 Å²	134	114.6 Å²	114.6	70%	0.702	58%	0.582	S	S	*	*	H	α-helix	trans	-70	-34.4	175.9	-72	163.4	0	0	0	112	Y397 R398	Y397-L401 WeakPolarHBondContact O-CB 3.17Å; Y397-L401 WeakPolarHBondContact O-CG 3.45Å; Y397-L401 PolarHBondContact O-N 3.34Å; R398-L401 PolarHBondContact O-N 3.42Å
402	E	65.4	Low	65.7	Low	159 Å²	159	118.6 Å²	118.6	74%	0.743	60%	0.599	S	S	*	*	H	α-helix	trans	-77.3	-27.9	173.8	-72.4	169.8	-174.5	0	0	112.7	R398	R398-E402 WeakPolarHBondContact O-CB 3.31Å; R398-E402 VanDerWaalsContact O-CG 3.3Å; R398-E402 WeakPolarHBondContact O-CG 3.34Å; R398-E402 PolarHBondContact O-N 2.87Å
403	G	55.4	Low	64	Low	29 Å²	29	121 Å²	121	30%	0.299	60%	0.603	S	S	.	*			trans	-91.8	6.6	-172.9	0	0	0	0	0	115.6	K399 M400 E405 S406	K399-G403 WeakPolarHBondContact O-CA 3.3Å; K399-G403 PolarHBondContact O-N 3.02Å; M400-G403 PolarHBondContact O-N 2.85Å; G403-E405 PolarHBondContact O-N 2.88Å; G403-S406 PolarHBondContact O-N 3.45Å
404	E	51.4	Low	62.2	Low	161 Å²	161	121.4 Å²	121.4	75%	0.752	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-5.6	176.5	-106.4	-173.4	167	0	0	114.1	M400	M400-E404 PolarHBondContact O-N 2.9Å
405	E	46.6	Very low	60.6	Low	193 Å²	193	121.9 Å²	121.9	90%	0.902	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	2.4	170	-116.7	-178.7	174.4	0	0	117	G403	G403-E405 PolarHBondContact O-N 2.88Å
406	S	47	Very low	59	Low	95 Å²	95	125.8 Å²	125.8	66%	0.664	62%	0.62	S	S	*	*			trans	-145.5	94.4	179.1	59.6	0	0	0	0	115.6	G403 A408	G403-S406 PolarHBondContact O-N 3.45Å; S406-A408 PolarHBondContact O-N 3.47Å
407	R	45.7	Very low	57.6	Low	243 Å²	243	125.5 Å²	125.5	92%	0.917	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	14.3	-159.7	-119.4	178.2	-173.6	127.1	2.4	118.5
408	A	51	Low	56.4	Low	105 Å²	105	123.8 Å²	123.8	87%	0.868	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-12.9	-168.5	0	0	0	0	0	117.6	S406	S406-A408 PolarHBondContact O-N 3.47Å
409	G	50.8	Low	55.1	Low	46 Å²	46	122.1 Å²	122.1	47%	0.474	62%	0.622	S	S	.	*	S	Bend	trans	-96.3	-5.9	-177.4	0	0	0	0	0	116	R411 Q412	G409-R411 PolarHBondContact O-N 3.47Å; G409-Q412 PolarHBondContact O-N 2.99Å
410	L	48	Very low	53.9	Low	107 Å²	107	118.9 Å²	118.9	56%	0.56	62%	0.616	S	S	*	*	H	α-helix	trans	-68	-34.3	-156.7	-166.8	65.7	0	0	0	114.6	M400 Q412	M400-L410 HydrophobicContact CG-CD1 4.45Å; L410-Q412 VanDerWaalsContact C-N 3.35Å; L410-Q412 PolarHBondContact O-N 3.41Å
411	R	52.7	Low	52.7	Low	199 Å²	199	119.8 Å²	119.8	75%	0.751	62%	0.619	S	S	*	*	H	α-helix	trans	-71	-30.6	-175.8	-164.9	-177	179.5	-71.2	-0.9	112.8	G409 E415	G409-R411 PolarHBondContact O-N 3.47Å; R411-E415 IonicContact NH1-OE2 3.17Å; R411-E415 PolarHBondContact NH1-OE2 3.45Å; R411-E415 VanDerWaalsContact NH1-OE2 3.17Å
412	Q	53.3	Low	51.5	Low	156 Å²	156	117 Å²	117	73%	0.729	61%	0.611	S	S	*	*	H	α-helix	trans	-81	-29.5	-170.5	-151	171.9	33.7	0	0	112.7	G409 L410 Q416	G409-Q412 PolarHBondContact O-N 2.99Å; L410-Q412 VanDerWaalsContact C-N 3.35Å; L410-Q412 PolarHBondContact O-N 3.41Å; Q412-Q416 PolarHBondContact O-N 2.81Å
413	M	52.7	Low	50.5	Low	101 Å²	101	115.7 Å²	115.7	50%	0.498	61%	0.608	S	S	.	*	H	α-helix	trans	-76.8	-39.4	177.7	-86	-170.4	-74.4	0	0	113.2	E415 Q416 V417	M413-E415 PolarHBondContact O-N 3.46Å; M413-Q416 PolarHBondContact O-N 3.49Å; M413-V417 PolarHBondContact O-N 3.24Å
414	V	52	Low	49.9	Very low	86 Å²	86	120.8 Å²	120.8	52%	0.521	63%	0.625	S	S	.	*	H	α-helix	trans	-60.4	-38.8	177	177.4	0	0	0	0	110.5	Q416 V417 V418	V414-Q416 PolarHBondContact O-N 2.87Å; V414-V417 PolarHBondContact O-N 2.9Å; V414-V418 WeakPolarHBondContact O-CG2 3.44Å; V414-V418 PolarHBondContact O-N 2.59Å
415	E	52.9	Low	49.5	Very low	84 Å²	84	121.5 Å²	121.5	39%	0.393	63%	0.628	S	S	.	*	H	α-helix	trans	-70.5	-30.7	179.6	-160.1	172	157.3	0	0	112.9	R411 M413 K419	R411-E415 IonicContact NH1-OE2 3.17Å; R411-E415 PolarHBondContact NH1-OE2 3.45Å; R411-E415 VanDerWaalsContact NH1-OE2 3.17Å; M413-E415 PolarHBondContact O-N 3.46Å; E415-K419 WeakPolarHBondContact O-CB 3.48Å; E415-K419 PolarHBondContact O-N 2.85Å; E415-K419 IonicContact OE1-NZ 2.78Å; E415-K419 PolarHBondContact OE1-NZ 3.5Å; E415-K419 VanDerWaalsContact OE1-NZ 3.15Å
416	Q	52.6	Low	49.3	Very low	135 Å²	135	119.8 Å²	119.8	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-69.1	-39.4	175.5	-87.7	-175.8	-46.9	0	0	112.8	Q412 M413 V414 K419 S420	Q412-Q416 PolarHBondContact O-N 2.81Å; M413-Q416 PolarHBondContact O-N 3.49Å; V414-Q416 PolarHBondContact O-N 2.87Å; Q416-K419 PolarHBondContact O-N 3.47Å; Q416-S420 PolarHBondContact O-N 3.18Å; Q416-S420 PolarHBondContact O-OG 3.44Å; Q416-S420 VanDerWaalsContact O-OG 3.09Å
417	V	53.8	Low	49.1	Very low	72 Å²	72	123.5 Å²	123.5	44%	0.436	63%	0.626	S	S	.	*	H	α-helix	trans	-70.8	-37.6	-179.5	178.2	0	0	0	0	111.6	M413 V414 S420 H421	M413-V417 PolarHBondContact O-N 3.24Å; V414-V417 PolarHBondContact O-N 2.9Å; V417-S420 PolarHBondContact O-OG 3.33Å; V417-H421 PolarHBondContact O-N 3.11Å
418	V	54.9	Low	48.9	Very low	99 Å²	99	115.7 Å²	115.7	60%	0.6	61%	0.614	S	S	*	*	H	α-helix	trans	-66.2	-38.9	175.1	177.5	0	0	0	0	111.1	V414 S422	V414-V418 WeakPolarHBondContact O-CG2 3.44Å; V414-V418 PolarHBondContact O-N 2.59Å; V418-S422 PolarHBondContact O-OG 3.18Å
419	K	49.8	Very low	48.6	Very low	128 Å²	128	116.2 Å²	116.2	56%	0.557	61%	0.607	S	S	*	*	H	α-helix	trans	-74.1	-36.7	179.1	-94.7	171	177.1	155.6	0	113.9	E415 Q416 H421 S422	E415-K419 WeakPolarHBondContact O-CB 3.48Å; E415-K419 PolarHBondContact O-N 2.85Å; E415-K419 IonicContact OE1-NZ 2.78Å; E415-K419 PolarHBondContact OE1-NZ 3.5Å; E415-K419 VanDerWaalsContact OE1-NZ 3.15Å; Q416-K419 PolarHBondContact O-N 3.47Å; K419-H421 PolarHBondContact O-N 2.94Å; K419-S422 PolarHBondContact O-N 3.36Å
420	S	50.7	Low	47.9	Very low	67 Å²	67	122.3 Å²	122.3	47%	0.469	62%	0.623	S	S	.	*	H	α-helix	trans	-67.6	-26.7	178.9	53.7	0	0	0	0	112.7	Q416 V417	Q416-S420 PolarHBondContact O-N 3.18Å; Q416-S420 PolarHBondContact O-OG 3.44Å; Q416-S420 VanDerWaalsContact O-OG 3.09Å; V417-S420 PolarHBondContact O-OG 3.33Å
421	H	48.8	Very low	47.5	Very low	117 Å²	117	122.4 Å²	122.4	54%	0.542	63%	0.633	S	S	.	*	H	α-helix	trans	-86.2	-17.4	177.9	-87.3	-54.6	0	0	0	115.1	V417 K419 L423 Q424	V417-H421 PolarHBondContact O-N 3.11Å; K419-H421 PolarHBondContact O-N 2.94Å; H421-L423 PolarHBondContact O-N 2.87Å; H421-Q424 PolarHBondContact ND1-OE1 2.92Å
422	S	46.4	Very low	46.8	Very low	76 Å²	76	120.9 Å²	120.9	53%	0.531	64%	0.639	S	S	.	*	H	α-helix	trans	-66.7	-25.6	172.1	-32.3	0	0	0	0	112.2	V418 K419	V418-S422 PolarHBondContact O-OG 3.18Å; K419-S422 PolarHBondContact O-N 3.36Å
423	L	43.9	Very low	46.2	Very low	130 Å²	130	124.1 Å²	124.1	68%	0.681	65%	0.645	S	S	*	*	H	α-helix	trans	-83.3	-27.9	-177	-70.4	167.6	0	0	0	113.4	H421 Q425	H421-L423 PolarHBondContact O-N 2.87Å; L423-Q425 VanDerWaalsContact C-N 3.3Å; L423-Q425 PolarHBondContact O-N 3.42Å
424	Q	43.1	Very low	45.7	Very low	137 Å²	137	124.5 Å²	124.5	64%	0.64	65%	0.653	S	S	*	*	H	α-helix	trans	-77	-13.9	-179.9	-86.6	177.8	-19.5	0	0	114.1	H421 Q426	H421-Q424 PolarHBondContact ND1-OE1 2.92Å; Q424-Q426 VanDerWaalsContact C-N 3.3Å; Q424-Q426 PolarHBondContact O-N 3.35Å
425	Q	42	Very low	45.2	Very low	175 Å²	175	127.6 Å²	127.6	82%	0.818	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-7.5	179.3	-139	170.6	21.7	0	0	113.7	L423	L423-Q425 VanDerWaalsContact C-N 3.3Å; L423-Q425 PolarHBondContact O-N 3.42Å
426	Q	43.2	Very low	44.6	Very low	157 Å²	157	134.3 Å²	134.3	73%	0.734	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-17.3	-176.3	-158.5	166.7	-5.6	0	0	114.7	Q424	Q424-Q426 VanDerWaalsContact C-N 3.3Å; Q424-Q426 PolarHBondContact O-N 3.35Å
427	E	42.2	Very low	43.9	Very low	173 Å²	173	130.9 Å²	130.9	81%	0.808	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-13.1	-179.4	-73	-174.4	164.9	0	0	114.2	T429	E427-T429 VanDerWaalsContact C-N 3.28Å; E427-T429 PolarHBondContact O-N 3Å
428	A	41.5	Very low	43.2	Very low	79 Å²	79	136.6 Å²	136.6	65%	0.653	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-3.5	-177.1	0	0	0	0	0	114.8
429	T	44.5	Very low	42.4	Very low	117 Å²	117	140.5 Å²	140.5	72%	0.718	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-4.2	-178.6	29.8	0	0	0	0	115.9	E427	E427-T429 VanDerWaalsContact C-N 3.28Å; E427-T429 PolarHBondContact O-N 3Å
430	E	37.9	Very low	42	Very low	173 Å²	173	139.7 Å²	139.7	81%	0.808	74%	0.741	S	S	*	*	S	Bend	trans	-100.6	-10.9	-175.5	-72	-163.5	157.9	0	0	116.2	N432	E430-N432 VanDerWaalsContact C-N 3.29Å; E430-N432 PolarHBondContact O-N 2.9Å
431	S	39.2	Very low	42.3	Very low	110 Å²	110	142 Å²	142	77%	0.769	75%	0.752	S	S	*	*	S	Bend	trans	-82.4	1.8	-179.6	35	0	0	0	0	115.2	R433	S431-R433 PolarHBondContact O-N 3.32Å
432	N	36.8	Very low	43.3	Very low	167 Å²	167	146.5 Å²	146.5	89%	0.893	76%	0.764	S	S	*	*			trans	-98.2	53.2	179.7	-131	11.3	0	0	0	112.3	E430	E430-N432 VanDerWaalsContact C-N 3.29Å; E430-N432 PolarHBondContact O-N 2.9Å
433	R	41	Very low	44.7	Very low	223 Å²	223	145.2 Å²	145.2	84%	0.842	75%	0.753	S	S	*	*			trans	-115.8	92.4	173	176.8	176.3	151.8	173.3	-7.3	110.6	S431	S431-R433 PolarHBondContact O-N 3.32Å
434	T	41.8	Very low	46.5	Very low	109 Å²	109	143.1 Å²	143.1	67%	0.669	75%	0.746	S	S	*	*			trans	55.4	86.1	135.2	-31.8	0	0	0	0	116.8	R436	T434-R436 HydrophobicContact CG2-CB 4.22Å; T434-R436 HydrophobicContact CG2-CG 4.49Å; T434-R436 PolarHBondContact O-N 2.99Å
435	V	41.9	Very low	48.5	Very low	152 Å²	152	140.9 Å²	140.9	92%	0.921	73%	0.734	S	S	*	*			trans	-66	88.8	151.5	-179.8	0	0	0	0	107.1	G437	V435-G437 PolarHBondContact O-N 3.34Å
436	R	40	Very low	50.7	Low	224 Å²	224	139.1 Å²	139.1	85%	0.845	73%	0.726	S	S	*	*			trans	-78.8	98.1	175.5	-150.4	-179.5	-168.9	175.5	2.9	106.5	T434 E438	T434-R436 HydrophobicContact CG2-CB 4.22Å; T434-R436 HydrophobicContact CG2-CG 4.49Å; T434-R436 PolarHBondContact O-N 2.99Å; R436-E438 PolarHBondContact O-N 3.09Å
437	G	38.7	Very low	53	Low	63 Å²	63	137.1 Å²	137.1	65%	0.649	71%	0.712	S	S	*	*			trans	-55.2	125.2	177.8	0	0	0	0	0	111.1	V435 M439	V435-G437 PolarHBondContact O-N 3.34Å; G437-M439 PolarHBondContact O-N 3.37Å
438	E	38.7	Very low	55.2	Low	192 Å²	192	131.4 Å²	131.4	90%	0.897	69%	0.691	S	S	*	*			trans	-67.3	113.1	173.8	-65.4	175.3	164	0	0	108.4	R436 S440	R436-E438 PolarHBondContact O-N 3.09Å; E438-S440 PolarHBondContact O-N 2.95Å
439	M	38.7	Very low	57.3	Low	181 Å²	181	130.3 Å²	130.3	89%	0.892	68%	0.682	S	S	*	*			trans	-68.3	103.8	172.2	-74.7	172.9	63.5	0	0	108.4	G437 T441	G437-M439 PolarHBondContact O-N 3.37Å; M439-T441 PolarHBondContact O-N 3.41Å; M439-T441 VanDerWaalsContact O-N 3.12Å
440	S	41.4	Very low	59.3	Low	111 Å²	111	132.9 Å²	132.9	78%	0.776	68%	0.683	S	S	*	*			trans	-65.2	105.1	170.8	-172.6	0	0	0	0	109.4	E438 R442	E438-S440 PolarHBondContact O-N 2.95Å; S440-R442 PolarHBondContact O-N 3.02Å
441	T	56.2	Low	61.6	Low	115 Å²	115	125.7 Å²	125.7	71%	0.706	66%	0.655	S	S	*	*			trans	-64.8	110.6	173.3	45.6	0	0	0	0	109.2	M439 T443	M439-T441 PolarHBondContact O-N 3.41Å; M439-T441 VanDerWaalsContact O-N 3.12Å; T441-T443 PolarHBondContact O-N 2.94Å
442	R	70.7	Confident	64.1	Low	213 Å²	213	122.5 Å²	122.5	80%	0.804	63%	0.63	S	S	*	*			trans	-80.5	109.8	179.4	-70.2	176	69.2	160.8	1.1	110.3	S440	S440-R442 PolarHBondContact O-N 3.02Å
443	T	74.8	Confident	66.8	Low	48 Å²	48	114.5 Å²	114.5	29%	0.294	59%	0.587	S	S	.	*			trans	-73.6	132.4	167.6	-49.9	0	0	0	0	110.7	T441 F445 Q557 C559	T441-T443 PolarHBondContact O-N 2.94Å; T443-F445 HydrophobicContact CG2-CE2 3.85Å; T443-F445 HydrophobicContact CG2-CZ 4Å; T443-Q557 HydrophobicContact CG2-CG 3.56Å; T443-C559 PolarHBondContact OG1-SG 3.34Å; T443-C559 VanDerWaalsContact OG1-SG 3.35Å
444	T	83	Confident	69.3	Low	86 Å²	86	105 Å²	105	53%	0.528	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	146.3	177.9	59.5	0	0	0	0	111.1	Q557 A558	T444-Q557 WeakPolarHBondContact O-CA 3.42Å; T444-A558 PolarHBondContact N-O 3.41Å; T444-A558 PolarHBondContact O-N 3.47Å; T444-A558 PolarHBondContact OG1-O 3.16Å; T444-A558 VanDerWaalsContact OG1-O 3.09Å
445	F	84.6	Confident	71.8	Confident	90 Å²	90	99.8 Å²	99.8	40%	0.395	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125	179.5	-66.7	-92.1	0	0	0	110.7	T443 L460 I556 Q557	T443-F445 HydrophobicContact CG2-CE2 3.85Å; T443-F445 HydrophobicContact CG2-CZ 4Å; F445-L460 HydrophobicContact CZ-CD2 4.43Å; F445-I556 CarbonylContact C-O 3.57Å; F445-I556 VanDerWaalsContact CA-O 3.29Å; F445-I556 WeakPolarHBondContact CA-O 3.43Å; F445-Q557 HydrophobicContact CD1-CB 3.98Å; F445-Q557 HydrophobicContact CD1-CG 4.15Å; F445-Q557 HydrophobicContact CE1-CB 3.77Å; F445-Q557 HydrophobicContact CE1-CG 3.57Å; F445-Q557 HydrophobicContact CZ-CG 3.89Å
446	Q	87.8	Confident	74.2	Confident	139 Å²	139	94.9 Å²	94.9	65%	0.65	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.3	169.3	-175.2	178.5	-8.4	0	0	108.9	T555 I556	Q446-T555 CarbonylContact O-C 3.59Å; Q446-T555 VanDerWaalsContact O-CA 3.26Å; Q446-T555 WeakPolarHBondContact O-CA 3.35Å; Q446-I556 HydrophobicContact CB-CB 4.3Å; Q446-I556 PolarHBondContact N-O 3Å; Q446-I556 PolarHBondContact O-N 2.85Å
447	R	91.1	Very high	76.7	Confident	114 Å²	114	88.8 Å²	88.8	43%	0.43	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.6	-171.8	-66.1	169.1	-171.7	-107.6	0.7	110.5	I455 S456 Y553 E554 T555	R447-I455 PolarHBondContact NH1-O 3.12Å; R447-I455 VanDerWaalsContact NH1-O 3.1Å; R447-S456 PolarHBondContact NH1-O 2.94Å; R447-S456 VanDerWaalsContact NH1-O 3.14Å; R447-Y553 WeakPolarHBondContact CB-OH 3.37Å; R447-Y553 VanDerWaalsContact CD-OH 3.26Å; R447-Y553 WeakPolarHBondContact CD-OH 3.33Å; R447-Y553 VanDerWaalsContact CG-OH 3.31Å; R447-Y553 WeakPolarHBondContact CG-OH 3.16Å; R447-E554 CarbonylContact C-O 3.54Å; R447-E554 WeakPolarHBondContact CA-O 3.32Å; R447-T555 WeakPolarHBondContact CG-OG1 3.34Å
448	S	88.8	Confident	79.1	Confident	54 Å²	54	86.5 Å²	86.5	38%	0.378	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.5	176	176.4	0	0	0	0	109.9	Y553 E554	S448-Y553 CarbonylContact O-C 3.59Å; S448-Y553 VanDerWaalsContact O-CA 3.31Å; S448-Y553 WeakPolarHBondContact O-CA 3.37Å; S448-Y553 WeakPolarHBondContact O-CD2 3.26Å; S448-E554 PolarHBondContact N-O 3.33Å; S448-E554 PolarHBondContact O-N 3.26Å
449	A	86.6	Confident	81.6	Confident	56 Å²	56	78.6 Å²	78.6	46%	0.463	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.6	-175	0	0	0	0	0	110.4	T454 Y553	A449-T454 HydrophobicContact CB-CG2 4.43Å; A449-Y553 HydrophobicContact CB-CD2 3.42Å; A449-Y553 VanDerWaalsContact CB-CD2 3.42Å; A449-Y553 HydrophobicContact CB-CE2 3.76Å
450	K	86.4	Confident	83.8	Confident	171 Å²	171	74.2 Å²	74.2	74%	0.743	39%	0.393	S	S	*	.	S	Bend	trans	-111.2	-7.9	172.8	-64.9	-171.8	-175.2	172.7	0	113.2	Y552	K450-Y552 PolarHBondContact N-O 3.4Å
451	G	85.1	Confident	86	Confident	21 Å²	21	73.5 Å²	73.5	22%	0.216	38%	0.38	C	S	.	.	S	Bend	trans	-142.4	-171.4	-173.3	0	0	0	0	0	114.3
452	N	91.2	Very high	87.6	Confident	43 Å²	43	68 Å²	68	23%	0.23	35%	0.347	C	S	.	.	S	Bend	trans	-79.5	-17.4	-172.4	-69.7	-20.6	0	0	0	114	N469 T470 H471 E476	N452-N469 PolarHBondContact O-OD1 3.39Å; N452-T470 PolarHBondContact O-N 3.19Å; N452-T470 PolarHBondContact O-OG1 3.4Å; N452-H471 HydrophobicContact CB-CB 3.85Å; N452-H471 PolarHBondContact OD1-CD2 3.18Å; N452-E476 HydrophobicContact CB-CG 3.79Å; N452-E476 PolarHBondContact ND2-OE1 2.86Å
453	V	93.3	Very high	88.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.7	-177.9	-175.3	0	0	0	0	109.1	L467 E468 N469 E476 V478 W481 L503 L544	V453-L467 HydrophobicContact CG1-CB 4.28Å; V453-E468 CarbonylContact C-O 3.57Å; V453-E468 VanDerWaalsContact CA-O 3.29Å; V453-E468 WeakPolarHBondContact CA-O 3.48Å; V453-N469 HydrophobicContact CG2-CB 4.42Å; V453-E476 HydrophobicContact CG2-CB 3.73Å; V453-E476 HydrophobicContact CG2-CG 3.96Å; V453-V478 HydrophobicContact CB-CG1 4.43Å; V453-V478 HydrophobicContact CG1-CG1 4.21Å; V453-V478 HydrophobicContact CG2-CG1 3.75Å; V453-W481 HydrophobicContact CB-CH2 4.3Å; V453-W481 HydrophobicContact CB-CZ3 3.9Å; V453-W481 HydrophobicContact CG1-CZ3 4.4Å; V453-W481 HydrophobicContact CG2-CH2 4.13Å; V453-W481 HydrophobicContact CG2-CZ3 4.15Å; V453-L503 HydrophobicContact CG1-CD1 4.17Å; V453-L544 HydrophobicContact CB-CD2 4.22Å; V453-L544 HydrophobicContact CG1-CD2 3.78Å
454	T	94.3	Very high	89.7	Confident	22 Å²	22	60.1 Å²	60.1	14%	0.135	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	161	-178.2	62	0	0	0	0	111	A449 L467 E468 T470 Y553	A449-T454 HydrophobicContact CB-CG2 4.43Å; T454-L467 WeakPolarHBondContact O-CA 3.49Å; T454-E468 PolarHBondContact N-O 3.26Å; T454-E468 PolarHBondContact O-N 3.23Å; T454-T470 HydrophobicContact CG2-CG2 4.04Å; T454-T470 WeakPolarHBondContact OG1-CG2 3.4Å; T454-Y553 HydrophobicContact CG2-CD2 3.7Å; T454-Y553 HydrophobicContact CG2-CE2 3.62Å
455	I	94.6	Very high	90.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.2	165.9	-55.5	172.8	0	0	0	107	R447 C458 I465 L467 L483 T542 L544 Y553 T555	R447-I455 PolarHBondContact NH1-O 3.12Å; R447-I455 VanDerWaalsContact NH1-O 3.1Å; I455-C458 WeakPolarHBondContact CG2-SG 3.38Å; I455-I465 HydrophobicContact CG2-CG2 3.73Å; I455-L467 HydrophobicContact CG1-CD2 3.84Å; I455-L483 HydrophobicContact CD1-CD1 4.06Å; I455-T542 HydrophobicContact CD1-CG2 3.66Å; I455-L544 HydrophobicContact CD1-CB 4.35Å; I455-L544 HydrophobicContact CG1-CB 4.41Å; I455-Y553 HydrophobicContact CB-CD1 3.72Å; I455-Y553 HydrophobicContact CB-CE1 3.58Å; I455-Y553 HydrophobicContact CD1-CD1 3.75Å; I455-Y553 HydrophobicContact CD1-CE1 4.26Å; I455-Y553 HydrophobicContact CG1-CD1 3.54Å; I455-Y553 HydrophobicContact CG1-CE1 3.97Å; I455-Y553 HydrophobicContact CG1-CG 4.38Å; I455-Y553 PolarHBondContact O-OH 3Å; I455-T555 HydrophobicContact CD1-CG2 4.3Å; I455-T555 HydrophobicContact CG2-CG2 4.49Å
456	S	91.7	Very high	90.8	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-55.5	-175.5	-162	0	0	0	0	109.7	R447 I466 E468	R447-S456 PolarHBondContact NH1-O 2.94Å; R447-S456 VanDerWaalsContact NH1-O 3.14Å; S456-I466 PolarHBondContact N-O 3.3Å; S456-E468 WeakPolarHBondContact CB-OE2 3.37Å; S456-E468 PolarHBondContact OG-OE2 3.47Å
457	E	92.2	Very high	91.2	Very high	95 Å²	95	46.1 Å²	46.1	44%	0.444	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.4	-176.9	-169.5	-178.3	173.6	0	0	111.3	F464 I466	E457-F464 HydrophobicContact CG-CE2 4.26Å; E457-I466 HydrophobicContact CB-CB 4.33Å; E457-I466 HydrophobicContact CB-CD1 4.02Å; E457-I466 HydrophobicContact CB-CG1 4.23Å; E457-I466 PolarHBondContact O-N 2.83Å; E457-I466 WeakPolarHBondContact OE2-CD1 3.31Å
458	C	90.7	Very high	91.4	Very high	15 Å²	15	43.5 Å²	43.5	10%	0.101	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	165.4	-69.8	0	0	0	0	107.5	I455	I455-C458 WeakPolarHBondContact CG2-SG 3.38Å
459	D	91.4	Very high	91.7	Very high	26 Å²	26	40.9 Å²	40.9	14%	0.139	22%	0.219	C	C	.	.			trans	-65.4	136.6	173.9	-177.9	68.1	0	0	0	110.5	D461 G462 K463 F464 R485	D459-D461 VanDerWaalsContact C-N 3.33Å; D459-D461 WeakPolarHBondContact OD2-CA 2.96Å; D459-D461 WeakPolarHBondContact OD2-CB 3.21Å; D459-D461 PolarHBondContact OD2-N 3.37Å; D459-G462 PolarHBondContact O-N 3.25Å; D459-G462 VanDerWaalsContact O-N 3.16Å; D459-G462 PolarHBondContact OD2-N 3.32Å; D459-K463 HydrophobicContact CB-CB 4.29Å; D459-K463 VanDerWaalsContact OD2-CB 3.23Å; D459-K463 WeakPolarHBondContact OD2-CB 3.31Å; D459-K463 VanDerWaalsContact OD2-CG 3.29Å; D459-K463 WeakPolarHBondContact OD2-CG 3.45Å; D459-K463 PolarHBondContact OD2-N 3.44Å; D459-F464 HydrophobicContact CB-CD1 3.93Å; D459-F464 HydrophobicContact CB-CD2 4.28Å; D459-F464 HydrophobicContact CB-CE1 3.82Å; D459-F464 HydrophobicContact CB-CE2 4.18Å; D459-F464 HydrophobicContact CB-CG 4.15Å; D459-F464 HydrophobicContact CB-CZ 3.95Å; D459-F464 WeakPolarHBondContact CB-O 3.48Å; D459-F464 PolarHBondContact N-O 2.87Å; D459-R485 PolarHBondContact O-NH2 3.13Å
460	L	84.4	Confident	92.1	Very high	89 Å²	89	41.6 Å²	41.6	47%	0.466	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.8	-176.9	-63.1	176.5	0	0	0	111.8	F445 G462 S536	F445-L460 HydrophobicContact CZ-CD2 4.43Å; L460-G462 PolarHBondContact O-N 2.93Å; L460-S536 VanDerWaalsContact O-CB 3.3Å; L460-S536 WeakPolarHBondContact O-CB 3.36Å
461	D	87.1	Confident	92.4	Very high	96 Å²	96	36 Å²	36	51%	0.513	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.3	175.9	-57.2	-33.3	0	0	0	112.2	D459 K463	D459-D461 VanDerWaalsContact C-N 3.33Å; D459-D461 WeakPolarHBondContact OD2-CA 2.96Å; D459-D461 WeakPolarHBondContact OD2-CB 3.21Å; D459-D461 PolarHBondContact OD2-N 3.37Å; D461-K463 HydrophobicContact CB-CD 4.35Å; D461-K463 HydrophobicContact CB-CG 4.25Å; D461-K463 IonicContact OD2-NZ 3.9Å; D461-K463 PolarHBondContact OD2-NZ 3.49Å
462	G	90.4	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	75.2	25.2	-179.4	0	0	0	0	0	114.1	D459 L460 S533 W534	D459-G462 PolarHBondContact O-N 3.25Å; D459-G462 VanDerWaalsContact O-N 3.16Å; D459-G462 PolarHBondContact OD2-N 3.32Å; L460-G462 PolarHBondContact O-N 2.93Å; G462-S533 PolarHBondContact O-OG 3.22Å; G462-W534 WeakPolarHBondContact O-CB 3.36Å; G462-W534 PolarHBondContact O-N 2.84Å
463	K	93.8	Very high	92.5	Very high	77 Å²	77	47.5 Å²	47.5	34%	0.335	24%	0.242	S	C	.	.	S	Bend	trans	-73.5	-41.5	179.9	-65.2	167	-180	144.5	0	113.2	D459 D461 A513 Q516	D459-K463 HydrophobicContact CB-CB 4.29Å; D459-K463 VanDerWaalsContact OD2-CB 3.23Å; D459-K463 WeakPolarHBondContact OD2-CB 3.31Å; D459-K463 VanDerWaalsContact OD2-CG 3.29Å; D459-K463 WeakPolarHBondContact OD2-CG 3.45Å; D459-K463 PolarHBondContact OD2-N 3.44Å; D461-K463 HydrophobicContact CB-CD 4.35Å; D461-K463 HydrophobicContact CB-CG 4.25Å; D461-K463 IonicContact OD2-NZ 3.9Å; D461-K463 PolarHBondContact OD2-NZ 3.49Å; K463-A513 PolarHBondContact O-N 3.16Å; K463-Q516 HydrophobicContact CB-CB 4.31Å
464	F	94.8	Very high	92.6	Very high	19 Å²	19	52.5 Å²	52.5	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.5	-177	62.9	-96.3	0	0	0	113	E457 D459 I466 K510 I511 W512	E457-F464 HydrophobicContact CG-CE2 4.26Å; D459-F464 HydrophobicContact CB-CD1 3.93Å; D459-F464 HydrophobicContact CB-CD2 4.28Å; D459-F464 HydrophobicContact CB-CE1 3.82Å; D459-F464 HydrophobicContact CB-CE2 4.18Å; D459-F464 HydrophobicContact CB-CG 4.15Å; D459-F464 HydrophobicContact CB-CZ 3.95Å; D459-F464 WeakPolarHBondContact CB-O 3.48Å; D459-F464 PolarHBondContact N-O 2.87Å; F464-I466 HydrophobicContact CD2-CD1 4.15Å; F464-I466 HydrophobicContact CD2-CG1 3.72Å; F464-I466 HydrophobicContact CE2-CD1 3.79Å; F464-I466 HydrophobicContact CE2-CG1 3.84Å; F464-K510 HydrophobicContact CB-CD 4.45Å; F464-K510 HydrophobicContact CB-CG 4.12Å; F464-K510 HydrophobicContact CD2-CD 4.22Å; F464-K510 HydrophobicContact CD2-CG 4.24Å; F464-K510 HydrophobicContact CG-CD 4.2Å; F464-K510 HydrophobicContact CG-CG 4.29Å; F464-I511 CarbonylContact C-O 3.58Å; F464-I511 VanDerWaalsContact CA-O 3.27Å; F464-I511 WeakPolarHBondContact CA-O 3.46Å; F464-W512 HydrophobicContact CB-CD2 4.09Å; F464-W512 HydrophobicContact CB-CE3 3.97Å; F464-W512 HydrophobicContact CB-CG 4.49Å; F464-W512 HydrophobicContact CB-CZ3 4.43Å; F464-W512 HydrophobicContact CD1-CE3 4.18Å; F464-W512 HydrophobicContact CD1-CH2 4.05Å; F464-W512 AromaticContact CD1-CZ3 3.78Å; F464-W512 HydrophobicContact CD1-CZ3 3.78Å; F464-W512 HydrophobicContact CG-CZ3 4.5Å
465	I	95.4	Very high	92.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.1	169.4	-59.8	171.5	0	0	0	108.2	I455 L483 I511 W534 T542	I455-I465 HydrophobicContact CG2-CG2 3.73Å; I465-L483 HydrophobicContact CB-CD2 4.04Å; I465-L483 HydrophobicContact CD1-CD2 3.69Å; I465-L483 HydrophobicContact CD1-CG 4.36Å; I465-L483 HydrophobicContact CG1-CD2 4.45Å; I465-L483 HydrophobicContact CG2-CD1 4.47Å; I465-L483 HydrophobicContact CG2-CD2 3.93Å; I465-I511 PolarHBondContact N-O 3.44Å; I465-I511 PolarHBondContact O-N 2.84Å; I465-W534 HydrophobicContact CD1-CB 4.26Å; I465-W534 HydrophobicContact CD1-CD2 3.45Å; I465-W534 VanDerWaalsContact CD1-CD2 3.45Å; I465-W534 HydrophobicContact CD1-CE3 3.58Å; I465-W534 HydrophobicContact CD1-CG 3.77Å; I465-W534 HydrophobicContact CD1-CH2 4.44Å; I465-W534 HydrophobicContact CD1-CZ2 4.35Å; I465-W534 HydrophobicContact CD1-CZ3 4.08Å; I465-W534 HydrophobicContact CG1-CD2 4.07Å; I465-W534 HydrophobicContact CG1-CG 4Å; I465-T542 HydrophobicContact CD1-CG2 4.17Å
466	I	95.9	Very high	92.5	Very high	20 Å²	20	58 Å²	58	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.6	-179.5	-51.8	-177.1	0	0	0	109.9	S456 E457 F464 K510	S456-I466 PolarHBondContact N-O 3.3Å; E457-I466 HydrophobicContact CB-CB 4.33Å; E457-I466 HydrophobicContact CB-CD1 4.02Å; E457-I466 HydrophobicContact CB-CG1 4.23Å; E457-I466 PolarHBondContact O-N 2.83Å; E457-I466 WeakPolarHBondContact OE2-CD1 3.31Å; F464-I466 HydrophobicContact CD2-CD1 4.15Å; F464-I466 HydrophobicContact CD2-CG1 3.72Å; F464-I466 HydrophobicContact CE2-CD1 3.79Å; F464-I466 HydrophobicContact CE2-CG1 3.84Å; I466-K510 HydrophobicContact CG1-CB 4.27Å; I466-K510 HydrophobicContact CG1-CD 4.5Å; I466-K510 HydrophobicContact CG1-CG 4.11Å
467	L	95.6	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.1	166.8	-56.5	-174.2	0	0	0	109.7	V453 T454 I455 L483 L497 L503 S508 C509 I511 L544	V453-L467 HydrophobicContact CG1-CB 4.28Å; T454-L467 WeakPolarHBondContact O-CA 3.49Å; I455-L467 HydrophobicContact CG1-CD2 3.84Å; L467-L483 HydrophobicContact CD2-CD1 4.29Å; L467-L497 HydrophobicContact CD1-CD1 4.37Å; L467-L497 HydrophobicContact CD1-CD2 3.99Å; L467-L503 HydrophobicContact CB-CD1 4.5Å; L467-S508 CarbonylContact O-C 3.51Å; L467-S508 WeakPolarHBondContact O-CA 3.43Å; L467-S508 VanDerWaalsContact O-CB 3.27Å; L467-S508 WeakPolarHBondContact O-CB 3.4Å; L467-C509 PolarHBondContact N-O 3.44Å; L467-C509 PolarHBondContact O-N 2.86Å; L467-I511 HydrophobicContact CD1-CD1 3.88Å; L467-I511 HydrophobicContact CG-CD1 4.06Å; L467-L544 HydrophobicContact CD1-CD1 3.86Å; L467-L544 HydrophobicContact CD2-CD1 4.09Å; L467-L544 HydrophobicContact CD2-CD2 4.15Å
468	E	95.6	Very high	92.7	Very high	59 Å²	59	54.5 Å²	54.5	28%	0.276	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131	178.9	-173.9	179.2	171.4	0	0	110.6	V453 T454 S456 T470	V453-E468 CarbonylContact C-O 3.57Å; V453-E468 VanDerWaalsContact CA-O 3.29Å; V453-E468 WeakPolarHBondContact CA-O 3.48Å; T454-E468 PolarHBondContact N-O 3.26Å; T454-E468 PolarHBondContact O-N 3.23Å; S456-E468 WeakPolarHBondContact CB-OE2 3.37Å; S456-E468 PolarHBondContact OG-OE2 3.47Å; E468-T470 HydrophobicContact CG-CG2 4.28Å; E468-T470 PolarHBondContact O-N 3.49Å
469	N	95.2	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	103.4	167.6	-179.5	2	0	0	0	109.3	N452 V453 H471 K474 L503 G506 K507	N452-N469 PolarHBondContact O-OD1 3.39Å; V453-N469 HydrophobicContact CG2-CB 4.42Å; N469-H471 VanDerWaalsContact C-N 3.31Å; N469-H471 WeakPolarHBondContact OD1-CB 3.29Å; N469-H471 PolarHBondContact OD1-N 3.34Å; N469-K474 PolarHBondContact ND2-O 3.36Å; N469-L503 HydrophobicContact CB-CB 3.8Å; N469-L503 PolarHBondContact ND2-O 2.87Å; N469-G506 WeakPolarHBondContact O-CA 3.36Å; N469-G506 PolarHBondContact O-N 2.81Å; N469-K507 PolarHBondContact N-O 3.27Å
470	T	94.1	Very high	93	Very high	70 Å²	70	55.8 Å²	55.8	43%	0.429	27%	0.272	S	S	.	.			trans	-83.7	-4.2	-177.9	59	0	0	0	0	113.4	N452 T454 E468	N452-T470 PolarHBondContact O-N 3.19Å; N452-T470 PolarHBondContact O-OG1 3.4Å; T454-T470 HydrophobicContact CG2-CG2 4.04Å; T454-T470 WeakPolarHBondContact OG1-CG2 3.4Å; E468-T470 HydrophobicContact CG-CG2 4.28Å; E468-T470 PolarHBondContact O-N 3.49Å
471	H	93.6	Very high	93.5	Very high	54 Å²	54	52 Å²	52	25%	0.25	25%	0.252	C	S	.	.			trans	-72.6	140.1	176.4	-164.8	-79.2	0	0	0	110.8	N452 N469 S473 K474 P505	N452-H471 HydrophobicContact CB-CB 3.85Å; N452-H471 PolarHBondContact OD1-CD2 3.18Å; N469-H471 VanDerWaalsContact C-N 3.31Å; N469-H471 WeakPolarHBondContact OD1-CB 3.29Å; N469-H471 PolarHBondContact OD1-N 3.34Å; H471-S473 PolarHBondContact CE1-OG 2.86Å; H471-S473 PolarHBondContact ND1-N 3.49Å; H471-S473 PolarHBondContact O-N 3.15Å; H471-K474 HydrophobicContact CB-CB 4.46Å; H471-K474 VanDerWaalsContact CE1-CB 3.43Å; H471-K474 WeakPolarHBondContact CE1-CB 3.38Å; H471-K474 WeakPolarHBondContact ND1-CB 3.32Å; H471-K474 PolarHBondContact ND1-N 3.39Å; H471-P505 WeakPolarHBondContact O-CA 3.35Å; H471-P505 VanDerWaalsContact O-CB 3.3Å; H471-P505 WeakPolarHBondContact O-CB 3.49Å
472	R	88.7	Confident	93.9	Very high	209 Å²	209	52.2 Å²	52.2	79%	0.789	25%	0.248	S	C	*	.	S	Bend	trans	-73.4	-25.9	-171.6	-59.5	-172.6	-171	-142.5	2.7	114.7
473	S	90.4	Very high	94.2	Very high	97 Å²	97	52.2 Å²	52.2	68%	0.678	25%	0.248	S	C	*	.	S	Bend	trans	-143.6	-7.2	-172.1	59.6	0	0	0	0	116.4	H471	H471-S473 PolarHBondContact CE1-OG 2.86Å; H471-S473 PolarHBondContact ND1-N 3.49Å; H471-S473 PolarHBondContact O-N 3.15Å
474	K	93.9	Very high	94.2	Very high	104 Å²	104	50.9 Å²	50.9	45%	0.452	24%	0.242	S	C	.	.			trans	-107.8	124.2	-173.1	-170.8	-168	172.8	-149.2	0	108.1	N469 H471 E476	N469-K474 PolarHBondContact ND2-O 3.36Å; H471-K474 HydrophobicContact CB-CB 4.46Å; H471-K474 VanDerWaalsContact CE1-CB 3.43Å; H471-K474 WeakPolarHBondContact CE1-CB 3.38Å; H471-K474 WeakPolarHBondContact ND1-CB 3.32Å; H471-K474 PolarHBondContact ND1-N 3.39Å; K474-E476 WeakPolarHBondContact CE-OE1 3.36Å; K474-E476 IonicContact NZ-OE1 2.74Å; K474-E476 PolarHBondContact NZ-OE1 2.97Å; K474-E476 IonicContact NZ-OE2 3.15Å
475	E	94.5	Very high	94.2	Very high	117 Å²	117	50 Å²	50	55%	0.547	24%	0.238	S	C	.	.			trans	-75.7	146	169.7	62.9	-174.5	-174.8	0	0	110.6	V502 L503	E475-V502 HydrophobicContact CB-CG1 3.89Å; E475-V502 HydrophobicContact CG-CG1 4.09Å; E475-L503 VanDerWaalsContact CA-O 3.3Å; E475-L503 WeakPolarHBondContact CA-O 3.45Å
476	E	93.6	Very high	94.2	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.9	180	-75	-65	167.2	0	0	110.1	N452 V453 K474 V478 V502 L503	N452-E476 HydrophobicContact CB-CG 3.79Å; N452-E476 PolarHBondContact ND2-OE1 2.86Å; V453-E476 HydrophobicContact CG2-CB 3.73Å; V453-E476 HydrophobicContact CG2-CG 3.96Å; K474-E476 WeakPolarHBondContact CE-OE1 3.36Å; K474-E476 IonicContact NZ-OE1 2.74Å; K474-E476 PolarHBondContact NZ-OE1 2.97Å; K474-E476 IonicContact NZ-OE2 3.15Å; E476-V478 HydrophobicContact CB-CG1 4.42Å; E476-V478 PolarHBondContact O-N 3.43Å; E476-V502 CarbonylContact O-C 3.59Å; E476-V502 WeakPolarHBondContact O-CA 3.38Å; E476-L503 PolarHBondContact N-O 3.44Å; E476-L503 PolarHBondContact O-N 2.9Å
477	N	94.1	Very high	94.1	Very high	70 Å²	70	54.1 Å²	54.1	37%	0.374	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	97.1	174	-171.6	-18.5	0	0	0	108.9	G479 W481 I501 V502 R547	N477-G479 VanDerWaalsContact C-N 3.3Å; N477-G479 PolarHBondContact OD1-N 3.13Å; N477-W481 PolarHBondContact O-NE1 2.8Å; N477-W481 VanDerWaalsContact O-NE1 3.16Å; N477-I501 PolarHBondContact OD1-O 3.38Å; N477-V502 HydrophobicContact CB-CG2 4.26Å; N477-R547 PolarHBondContact ND2-NH2 2.8Å; N477-R547 PolarHBondContact OD1-NH2 2.88Å; N477-R547 VanDerWaalsContact OD1-NH2 3.08Å
478	V	93.5	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.27	C	S	.	.			trans	-91.2	6.4	177.5	-61	0	0	0	0	112.6	V453 E476 E480 W481 L497 I501 L503	V453-V478 HydrophobicContact CB-CG1 4.43Å; V453-V478 HydrophobicContact CG1-CG1 4.21Å; V453-V478 HydrophobicContact CG2-CG1 3.75Å; E476-V478 HydrophobicContact CB-CG1 4.42Å; E476-V478 PolarHBondContact O-N 3.43Å; V478-E480 PolarHBondContact O-N 3.05Å; V478-W481 HydrophobicContact CB-CD2 4.01Å; V478-W481 HydrophobicContact CB-CE3 4.24Å; V478-W481 HydrophobicContact CB-CG 4.17Å; V478-W481 HydrophobicContact CG1-CD2 4.02Å; V478-W481 HydrophobicContact CG1-CE3 3.9Å; V478-W481 HydrophobicContact CG1-CH2 4.13Å; V478-W481 HydrophobicContact CG1-CZ2 4.25Å; V478-W481 HydrophobicContact CG1-CZ3 3.97Å; V478-W481 VanDerWaalsContact O-CB 3.25Å; V478-W481 WeakPolarHBondContact O-CB 3.43Å; V478-W481 PolarHBondContact O-N 3.4Å; V478-W481 VanDerWaalsContact O-N 3.13Å; V478-L497 HydrophobicContact CB-CD2 4.25Å; V478-L497 HydrophobicContact CG2-CD2 3.87Å; V478-I501 HydrophobicContact CG2-CB 4.12Å; V478-I501 HydrophobicContact CG2-CG2 3.52Å; V478-I501 PolarHBondContact N-O 3.46Å; V478-L503 HydrophobicContact CG1-CD1 3.97Å; V478-L503 HydrophobicContact CG1-CG 4.5Å; V478-L503 HydrophobicContact CG2-CD1 3.83Å; V478-L503 HydrophobicContact CG2-CG 3.82Å
479	G	93.2	Very high	93.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	136.1	174.2	0	0	0	0	0	110.7	N477 W481 P498 I501 R547	N477-G479 VanDerWaalsContact C-N 3.3Å; N477-G479 PolarHBondContact OD1-N 3.13Å; G479-W481 PolarHBondContact O-N 2.88Å; G479-P498 WeakPolarHBondContact CA-O 3.39Å; G479-I501 PolarHBondContact N-O 3.29Å; G479-R547 PolarHBondContact O-NE 3.18Å; G479-R547 PolarHBondContact O-NH2 3.13Å; G479-R547 VanDerWaalsContact O-NH2 3.09Å
480	E	94.5	Very high	92.8	Very high	68 Å²	68	66.4 Å²	66.4	32%	0.318	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	9.5	-176	-50.2	179.9	119.1	0	0	115.7	V478 L497 P498 Q499 R547	V478-E480 PolarHBondContact O-N 3.05Å; E480-L497 VanDerWaalsContact CA-O 3.28Å; E480-L497 WeakPolarHBondContact CA-O 3.47Å; E480-L497 PolarHBondContact N-O 3.39Å; E480-P498 PolarHBondContact N-O 2.97Å; E480-Q499 HydrophobicContact CG-CB 4.43Å; E480-Q499 HydrophobicContact CG-CG 3.39Å; E480-Q499 WeakPolarHBondContact OE1-CG 3.03Å; E480-Q499 PolarHBondContact OE1-NE2 3.24Å; E480-R547 HydrophobicContact CB-CG 4.06Å; E480-R547 IonicContact OE2-CZ 2.62Å; E480-R547 IonicContact OE2-NE 3.08Å; E480-R547 PolarHBondContact OE2-NE 3.49Å; E480-R547 IonicContact OE2-NH1 3.49Å
481	W	96.3	Very high	92.6	Very high	11 Å²	11	67.9 Å²	67.9	4%	0.042	32%	0.324	C	S	.	.			trans	-70	153.1	170.6	-72.6	27.9	0	0	0	110.3	V453 N477 V478 G479 T496 L497 L544 M545 N546 Y552	V453-W481 HydrophobicContact CB-CH2 4.3Å; V453-W481 HydrophobicContact CB-CZ3 3.9Å; V453-W481 HydrophobicContact CG1-CZ3 4.4Å; V453-W481 HydrophobicContact CG2-CH2 4.13Å; V453-W481 HydrophobicContact CG2-CZ3 4.15Å; N477-W481 PolarHBondContact O-NE1 2.8Å; N477-W481 VanDerWaalsContact O-NE1 3.16Å; V478-W481 HydrophobicContact CB-CD2 4.01Å; V478-W481 HydrophobicContact CB-CE3 4.24Å; V478-W481 HydrophobicContact CB-CG 4.17Å; V478-W481 HydrophobicContact CG1-CD2 4.02Å; V478-W481 HydrophobicContact CG1-CE3 3.9Å; V478-W481 HydrophobicContact CG1-CH2 4.13Å; V478-W481 HydrophobicContact CG1-CZ2 4.25Å; V478-W481 HydrophobicContact CG1-CZ3 3.97Å; V478-W481 VanDerWaalsContact O-CB 3.25Å; V478-W481 WeakPolarHBondContact O-CB 3.43Å; V478-W481 PolarHBondContact O-N 3.4Å; V478-W481 VanDerWaalsContact O-N 3.13Å; G479-W481 PolarHBondContact O-N 2.88Å; W481-T496 CarbonylContact O-C 3.11Å; W481-T496 WeakPolarHBondContact O-CA 3.34Å; W481-L497 HydrophobicContact CB-CD1 4.36Å; W481-L497 VanDerWaalsContact O-CD1 3.25Å; W481-L497 WeakPolarHBondContact O-CD1 3.43Å; W481-L497 PolarHBondContact O-N 2.91Å; W481-L544 HydrophobicContact CE3-CD1 4.05Å; W481-L544 HydrophobicContact CE3-CD2 3.89Å; W481-L544 HydrophobicContact CE3-CG 3.84Å; W481-L544 HydrophobicContact CZ3-CD2 3.84Å; W481-L544 HydrophobicContact CZ3-CG 4.2Å; W481-M545 CarbonylContact C-O 3.6Å; W481-M545 WeakPolarHBondContact CA-O 3.5Å; W481-M545 VanDerWaalsContact CB-O 3.29Å; W481-M545 WeakPolarHBondContact CB-O 3.37Å; W481-N546 HydrophobicContact CD2-CB 4.37Å; W481-N546 HydrophobicContact CZ2-CB 4.32Å; W481-Y552 AromaticContact CH2-CD1 3.36Å; W481-Y552 HydrophobicContact CH2-CD1 3.36Å; W481-Y552 AromaticContact CH2-CE1 3.65Å; W481-Y552 HydrophobicContact CH2-CE1 3.65Å; W481-Y552 AromaticContact CH2-CG 3.98Å; W481-Y552 HydrophobicContact CH2-CG 3.98Å; W481-Y552 HydrophobicContact CZ2-CD1 4.2Å; W481-Y552 HydrophobicContact CZ2-CE1 4.12Å; W481-Y552 AromaticContact CZ3-CD1 3.8Å; W481-Y552 HydrophobicContact CZ3-CD1 3.8Å; W481-Y552 HydrophobicContact CZ3-CG 4.07Å
482	K	95.8	Very high	92.6	Very high	100 Å²	100	69.2 Å²	69.2	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	-177.6	-68.5	-178.5	-179.7	175.1	0	110.6	Y495 T496 M545	K482-Y495 CarbonylContact C-O 3.56Å; K482-Y495 WeakPolarHBondContact CA-O 3.49Å; K482-T496 HydrophobicContact CG-CG2 4.18Å; K482-M545 HydrophobicContact CB-CB 4.4Å; K482-M545 HydrophobicContact CB-CE 3.9Å; K482-M545 PolarHBondContact N-O 2.8Å; K482-M545 PolarHBondContact O-N 2.96Å
483	L	95.5	Very high	92.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.8	168.6	-169.7	65.9	0	0	0	108.4	I455 I465 L467 V494 Y495 I511 W534 T542 F543 L544	I455-L483 HydrophobicContact CD1-CD1 4.06Å; I465-L483 HydrophobicContact CB-CD2 4.04Å; I465-L483 HydrophobicContact CD1-CD2 3.69Å; I465-L483 HydrophobicContact CD1-CG 4.36Å; I465-L483 HydrophobicContact CG1-CD2 4.45Å; I465-L483 HydrophobicContact CG2-CD1 4.47Å; I465-L483 HydrophobicContact CG2-CD2 3.93Å; L467-L483 HydrophobicContact CD2-CD1 4.29Å; L483-V494 CarbonylContact O-C 3.54Å; L483-V494 WeakPolarHBondContact O-CA 3.34Å; L483-Y495 PolarHBondContact N-O 3.17Å; L483-Y495 PolarHBondContact O-N 3.32Å; L483-I511 HydrophobicContact CD2-CD1 4.01Å; L483-W534 HydrophobicContact CD2-CH2 3.67Å; L483-W534 HydrophobicContact CD2-CZ2 4.07Å; L483-W534 HydrophobicContact CD2-CZ3 4.09Å; L483-W534 HydrophobicContact CG-CH2 4.35Å; L483-W534 HydrophobicContact CG-CZ3 4.43Å; L483-T542 HydrophobicContact CD1-CG2 4.03Å; L483-F543 WeakPolarHBondContact CA-O 3.4Å; L483-L544 HydrophobicContact CD1-CD1 4.23Å
484	K	94.8	Very high	93.1	Very high	48 Å²	48	58 Å²	58	21%	0.209	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.9	-178.4	168.4	169.1	158.8	151.5	0	109.6	E492 I493 V494 T542 F543 M545	K484-E492 HydrophobicContact CD-CG 4.47Å; K484-E492 WeakPolarHBondContact CD-OE1 3.34Å; K484-E492 WeakPolarHBondContact CE-OE1 3.48Å; K484-E492 WeakPolarHBondContact CE-OE2 3.3Å; K484-E492 HydrophobicContact CG-CG 4.16Å; K484-E492 IonicContact NZ-OE1 3.58Å; K484-E492 PolarHBondContact NZ-OE1 3.35Å; K484-E492 IonicContact NZ-OE2 3.79Å; K484-E492 PolarHBondContact NZ-OE2 2.99Å; K484-I493 CarbonylContact C-O 3.58Å; K484-I493 VanDerWaalsContact CA-O 3.31Å; K484-I493 WeakPolarHBondContact CA-O 3.45Å; K484-V494 HydrophobicContact CB-CG2 4.21Å; K484-V494 HydrophobicContact CD-CG2 4.21Å; K484-V494 HydrophobicContact CG-CG2 4.03Å; K484-T542 CarbonylContact O-C 3.52Å; K484-T542 WeakPolarHBondContact O-CA 3.14Å; K484-F543 HydrophobicContact CB-CB 4.35Å; K484-F543 HydrophobicContact CG-CD2 4.2Å; K484-F543 PolarHBondContact N-O 2.88Å; K484-F543 PolarHBondContact O-N 3.42Å; K484-M545 HydrophobicContact CB-CE 3.56Å; K484-M545 HydrophobicContact CD-CE 3.95Å; K484-M545 HydrophobicContact CG-CE 4.4Å
485	R	94	Very high	93.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.1	178.6	-169.1	162.7	177.7	172.6	0.2	110.1	D459 E492 I493 W534 G535 V540 H541 T542	D459-R485 PolarHBondContact O-NH2 3.13Å; R485-E492 CarbonylContact O-C 3.6Å; R485-E492 WeakPolarHBondContact O-CA 3.26Å; R485-I493 PolarHBondContact N-O 3.4Å; R485-I493 PolarHBondContact O-N 3.4Å; R485-W534 HydrophobicContact CB-CE3 4.45Å; R485-W534 WeakPolarHBondContact CD-O 3.2Å; R485-G535 PolarHBondContact NH2-O 3.3Å; R485-V540 HydrophobicContact CG-CG1 3.89Å; R485-V540 VanDerWaalsContact NE-CG1 3.3Å; R485-H541 CarbonylContact C-O 3.5Å; R485-H541 WeakPolarHBondContact CA-O 3.4Å; R485-T542 HydrophobicContact CB-CG2 4.22Å; R485-T542 HydrophobicContact CG-CG2 4.31Å
486	R	95	Very high	93.2	Very high	97 Å²	97	52 Å²	52	37%	0.366	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.7	179	-179.9	-177.7	-69.7	179.8	-4.9	109.4	R491 E492 V540 H541	R486-R491 CarbonylContact C-O 3.59Å; R486-R491 WeakPolarHBondContact CA-O 3.4Å; R486-E492 IonicContact CZ-OE2 3.4Å; R486-E492 IonicContact NE-OE2 2.74Å; R486-E492 PolarHBondContact NE-OE2 2.88Å; R486-E492 IonicContact NH2-OE2 3.84Å; R486-E492 PolarHBondContact NH2-OE2 3.49Å; R486-V540 CarbonylContact O-C 3.53Å; R486-V540 WeakPolarHBondContact O-CA 3.39Å; R486-H541 HydrophobicContact CB-CB 4.4Å; R486-H541 PolarHBondContact N-O 3.49Å; R486-H541 PolarHBondContact O-N 3.46Å
487	I	93.5	Very high	93.2	Very high	11 Å²	11	51 Å²	51	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.5	-174.2	-54.2	139.8	0	0	0	108.8	G489 K490 R491 I493 W534 S536 V540	I487-G489 PolarHBondContact O-N 2.84Å; I487-K490 PolarHBondContact O-N 3.14Å; I487-R491 HydrophobicContact CB-CB 4.39Å; I487-R491 HydrophobicContact CD1-CB 4.15Å; I487-R491 HydrophobicContact CD1-CG 4.19Å; I487-R491 PolarHBondContact N-O 2.79Å; I487-R491 PolarHBondContact O-N 2.83Å; I487-I493 HydrophobicContact CD1-CD1 4.13Å; I487-W534 WeakPolarHBondContact CD1-O 3.36Å; I487-S536 WeakPolarHBondContact CG2-O 3.39Å; I487-V540 HydrophobicContact CG1-CG1 4.46Å; I487-V540 HydrophobicContact CG2-CG2 4.37Å
488	D	89.9	Confident	93.2	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.342	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	29.2	178.2	-57.6	-29.6	0	0	0	114	K490 G537 S538 N539	D488-K490 PolarHBondContact O-N 2.96Å; D488-K490 VanDerWaalsContact O-N 3.11Å; D488-G537 WeakPolarHBondContact OD2-CA 3.33Å; D488-S538 PolarHBondContact OD1-N 3.4Å; D488-S538 PolarHBondContact OD1-OG 3.36Å; D488-N539 WeakPolarHBondContact CA-O 3.35Å; D488-N539 PolarHBondContact N-O 3.04Å; D488-N539 PolarHBondContact OD1-N 3.23Å
489	G	83.5	Confident	93.1	Very high	60 Å²	60	57.2 Å²	57.2	62%	0.619	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	2.6	-175.2	0	0	0	0	0	115.6	I487	I487-G489 PolarHBondContact O-N 2.84Å
490	K	86.2	Confident	92.9	Very high	192 Å²	192	60 Å²	60	84%	0.835	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-52	-171.4	-68	172.6	-172.8	175.2	0	113.1	I487 D488	I487-K490 PolarHBondContact O-N 3.14Å; D488-K490 PolarHBondContact O-N 2.96Å; D488-K490 VanDerWaalsContact O-N 3.11Å
491	R	90.3	Very high	92.9	Very high	101 Å²	101	57.1 Å²	57.1	38%	0.381	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.3	-175.9	-172.7	179	-172.4	-138.2	-2.3	109.7	R486 I487 E531	R486-R491 CarbonylContact C-O 3.59Å; R486-R491 WeakPolarHBondContact CA-O 3.4Å; I487-R491 HydrophobicContact CB-CB 4.39Å; I487-R491 HydrophobicContact CD1-CB 4.15Å; I487-R491 HydrophobicContact CD1-CG 4.19Å; I487-R491 PolarHBondContact N-O 2.79Å; I487-R491 PolarHBondContact O-N 2.83Å; R491-E531 IonicContact CZ-OE2 2.96Å; R491-E531 IonicContact NH2-OE1 2.62Å; R491-E531 PolarHBondContact NH2-OE1 2.98Å; R491-E531 VanDerWaalsContact NH2-OE1 3.08Å; R491-E531 IonicContact NH2-OE2 3.12Å; R491-E531 PolarHBondContact NH2-OE2 2.83Å
492	E	93.3	Very high	92.8	Very high	82 Å²	82	58.9 Å²	58.9	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.8	178.3	-165.7	174.9	124.3	0	0	110.1	K484 R485 R486 V494	K484-E492 HydrophobicContact CD-CG 4.47Å; K484-E492 WeakPolarHBondContact CD-OE1 3.34Å; K484-E492 WeakPolarHBondContact CE-OE1 3.48Å; K484-E492 WeakPolarHBondContact CE-OE2 3.3Å; K484-E492 HydrophobicContact CG-CG 4.16Å; K484-E492 IonicContact NZ-OE1 3.58Å; K484-E492 PolarHBondContact NZ-OE1 3.35Å; K484-E492 IonicContact NZ-OE2 3.79Å; K484-E492 PolarHBondContact NZ-OE2 2.99Å; R485-E492 CarbonylContact O-C 3.6Å; R485-E492 WeakPolarHBondContact O-CA 3.26Å; R486-E492 IonicContact CZ-OE2 3.4Å; R486-E492 IonicContact NE-OE2 2.74Å; R486-E492 PolarHBondContact NE-OE2 2.88Å; R486-E492 IonicContact NH2-OE2 3.84Å; R486-E492 PolarHBondContact NH2-OE2 3.49Å; E492-V494 HydrophobicContact CG-CG2 4.37Å
493	I	94.2	Very high	92.7	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.5	178	-60.2	170.5	0	0	0	107.5	K484 R485 I487 E531 S533 W534	K484-I493 CarbonylContact C-O 3.58Å; K484-I493 VanDerWaalsContact CA-O 3.31Å; K484-I493 WeakPolarHBondContact CA-O 3.45Å; R485-I493 PolarHBondContact N-O 3.4Å; R485-I493 PolarHBondContact O-N 3.4Å; I487-I493 HydrophobicContact CD1-CD1 4.13Å; I493-E531 HydrophobicContact CD1-CG 4.46Å; I493-E531 HydrophobicContact CG1-CG 4.33Å; I493-E531 HydrophobicContact CG2-CB 4.47Å; I493-E531 HydrophobicContact CG2-CG 3.92Å; I493-S533 VanDerWaalsContact CD1-O 3.29Å; I493-S533 WeakPolarHBondContact CD1-O 3.16Å; I493-W534 HydrophobicContact CB-CE3 4.46Å; I493-W534 WeakPolarHBondContact CD1-O 3.3Å; I493-W534 HydrophobicContact CG2-CE3 3.83Å; I493-W534 HydrophobicContact CG2-CZ3 3.72Å
494	V	94.6	Very high	92.7	Very high	69 Å²	69	60.7 Å²	60.7	42%	0.418	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.7	178	-175.4	0	0	0	0	109.2	L483 K484 E492	L483-V494 CarbonylContact O-C 3.54Å; L483-V494 WeakPolarHBondContact O-CA 3.34Å; K484-V494 HydrophobicContact CB-CG2 4.21Å; K484-V494 HydrophobicContact CD-CG2 4.21Å; K484-V494 HydrophobicContact CG-CG2 4.03Å; E492-V494 HydrophobicContact CG-CG2 4.37Å
495	Y	95	Very high	92.7	Very high	25 Å²	25	60.6 Å²	60.6	10%	0.098	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.6	177.2	177.1	-108.6	0	0	0	109.6	K482 L483 L497 I511 I527 C528 W534	K482-Y495 CarbonylContact C-O 3.56Å; K482-Y495 WeakPolarHBondContact CA-O 3.49Å; L483-Y495 PolarHBondContact N-O 3.17Å; L483-Y495 PolarHBondContact O-N 3.32Å; Y495-L497 HydrophobicContact CD1-CD1 4.38Å; Y495-L497 HydrophobicContact CE1-CD1 4.48Å; Y495-L497 HydrophobicContact CE1-CG 4.31Å; Y495-I511 HydrophobicContact CD1-CG2 4.08Å; Y495-I511 HydrophobicContact CE1-CD1 4.47Å; Y495-I511 HydrophobicContact CE1-CG2 3.75Å; Y495-I527 PolarHBondContact OH-O 3.17Å; Y495-C528 HydrophobicContact CD2-CB 3.89Å; Y495-C528 VanDerWaalsContact CD2-SG 3.55Å; Y495-C528 HydrophobicContact CE2-CB 4.09Å; Y495-C528 HydrophobicContact CG-CB 4.31Å; Y495-W534 VanDerWaalsContact CB-CH2 3.5Å; Y495-W534 HydrophobicContact CD1-CH2 4.26Å; Y495-W534 HydrophobicContact CG-CH2 4.03Å
496	T	95.7	Very high	92.7	Very high	68 Å²	68	63 Å²	63	42%	0.417	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.6	175.6	-53.1	0	0	0	0	108.5	W481 K482	W481-T496 CarbonylContact O-C 3.11Å; W481-T496 WeakPolarHBondContact O-CA 3.34Å; K482-T496 HydrophobicContact CG-CG2 4.18Å
497	L	94.7	Very high	92.7	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-64.9	142.4	177.9	-79.2	80.4	0	0	0	110.1	L467 V478 E480 W481 Y495 I511 L526	L467-L497 HydrophobicContact CD1-CD1 4.37Å; L467-L497 HydrophobicContact CD1-CD2 3.99Å; V478-L497 HydrophobicContact CB-CD2 4.25Å; V478-L497 HydrophobicContact CG2-CD2 3.87Å; E480-L497 VanDerWaalsContact CA-O 3.28Å; E480-L497 WeakPolarHBondContact CA-O 3.47Å; E480-L497 PolarHBondContact N-O 3.39Å; W481-L497 HydrophobicContact CB-CD1 4.36Å; W481-L497 VanDerWaalsContact O-CD1 3.25Å; W481-L497 WeakPolarHBondContact O-CD1 3.43Å; W481-L497 PolarHBondContact O-N 2.91Å; Y495-L497 HydrophobicContact CD1-CD1 4.38Å; Y495-L497 HydrophobicContact CE1-CD1 4.48Å; Y495-L497 HydrophobicContact CE1-CG 4.31Å; L497-I511 HydrophobicContact CD1-CD1 4.34Å; L497-I511 HydrophobicContact CG-CD1 4.45Å; L497-L526 HydrophobicContact CD2-CD1 4.23Å; L497-L526 HydrophobicContact CG-CD1 4.23Å
498	P	94	Very high	92.8	Very high	56 Å²	56	67 Å²	67	36%	0.364	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-55.4	155.9	175.2	-25.3	34.5	0	0	0	113	G479 E480 I501 L526	G479-P498 WeakPolarHBondContact CA-O 3.39Å; E480-P498 PolarHBondContact N-O 2.97Å; P498-I501 HydrophobicContact CB-CG1 4.24Å; P498-I501 VanDerWaalsContact O-CG1 3.3Å; P498-I501 WeakPolarHBondContact O-CG1 3.37Å; P498-L526 HydrophobicContact CG-CD2 4.33Å
499	Q	91.4	Very high	93	Very high	145 Å²	145	64 Å²	64	68%	0.678	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	151	173.1	-74.3	178.4	13.1	0	0	111.5	E480 I501	E480-Q499 HydrophobicContact CG-CB 4.43Å; E480-Q499 HydrophobicContact CG-CG 3.39Å; E480-Q499 WeakPolarHBondContact OE1-CG 3.03Å; E480-Q499 PolarHBondContact OE1-NE2 3.24Å; Q499-I501 VanDerWaalsContact C-N 3.32Å; Q499-I501 PolarHBondContact O-N 2.85Å
500	G	89.1	Confident	93.6	Very high	59 Å²	59	63.6 Å²	63.6	61%	0.608	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.3	173.8	0	0	0	0	0	115.9	V502	G500-V502 PolarHBondContact O-N 2.9Å
501	I	94	Very high	94.1	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.036	30%	0.302	C	S	.	.			trans	-75.2	115.1	175.5	-56.5	-64.4	0	0	0	110	N477 V478 G479 P498 Q499 P522 P523 L526	N477-I501 PolarHBondContact OD1-O 3.38Å; V478-I501 HydrophobicContact CG2-CB 4.12Å; V478-I501 HydrophobicContact CG2-CG2 3.52Å; V478-I501 PolarHBondContact N-O 3.46Å; G479-I501 PolarHBondContact N-O 3.29Å; P498-I501 HydrophobicContact CB-CG1 4.24Å; P498-I501 VanDerWaalsContact O-CG1 3.3Å; P498-I501 WeakPolarHBondContact O-CG1 3.37Å; Q499-I501 VanDerWaalsContact C-N 3.32Å; Q499-I501 PolarHBondContact O-N 2.85Å; I501-P522 HydrophobicContact CD1-CB 3.76Å; I501-P523 HydrophobicContact CD1-CB 4.22Å; I501-P523 HydrophobicContact CG2-CB 3.79Å; I501-L526 HydrophobicContact CD1-CD2 4.21Å
502	V	94.6	Very high	94.4	Very high	47 Å²	47	51.7 Å²	51.7	29%	0.285	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.9	176.8	-178.3	0	0	0	0	109.3	E475 E476 N477 G500	E475-V502 HydrophobicContact CB-CG1 3.89Å; E475-V502 HydrophobicContact CG-CG1 4.09Å; E476-V502 CarbonylContact O-C 3.59Å; E476-V502 WeakPolarHBondContact O-CA 3.38Å; N477-V502 HydrophobicContact CB-CG2 4.26Å; G500-V502 PolarHBondContact O-N 2.9Å
503	L	94.5	Very high	94.4	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.9	174.4	-69.6	174.5	0	0	0	109.8	V453 L467 N469 E475 E476 V478 C509	V453-L503 HydrophobicContact CG1-CD1 4.17Å; L467-L503 HydrophobicContact CB-CD1 4.5Å; N469-L503 HydrophobicContact CB-CB 3.8Å; N469-L503 PolarHBondContact ND2-O 2.87Å; E475-L503 VanDerWaalsContact CA-O 3.3Å; E475-L503 WeakPolarHBondContact CA-O 3.45Å; E476-L503 PolarHBondContact N-O 3.44Å; E476-L503 PolarHBondContact O-N 2.9Å; V478-L503 HydrophobicContact CG1-CD1 3.97Å; V478-L503 HydrophobicContact CG1-CG 4.5Å; V478-L503 HydrophobicContact CG2-CD1 3.83Å; V478-L503 HydrophobicContact CG2-CG 3.82Å; L503-C509 HydrophobicContact CD2-CB 3.73Å
504	K	95.3	Very high	94.3	Very high	136 Å²	136	49.9 Å²	49.9	59%	0.591	29%	0.285	S	S	*	.			trans	-63.1	157.5	170.4	-68.3	-175.9	-179	-178.3	0	110.8	G506 K507	K504-G506 PolarHBondContact O-N 2.93Å; K504-K507 HydrophobicContact CB-CB 4.37Å; K504-K507 HydrophobicContact CB-CG 3.84Å; K504-K507 WeakPolarHBondContact O-CB 3.44Å; K504-K507 PolarHBondContact O-N 2.75Å
505	P	94.7	Very high	94	Very high	45 Å²	45	53 Å²	53	29%	0.292	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.4	175.9	-27.6	36.1	0	0	0	112.4	H471 K507	H471-P505 WeakPolarHBondContact O-CA 3.35Å; H471-P505 VanDerWaalsContact O-CB 3.3Å; H471-P505 WeakPolarHBondContact O-CB 3.49Å; P505-K507 PolarHBondContact O-N 3.36Å
506	G	92.9	Very high	93.7	Very high	51 Å²	51	55.3 Å²	55.3	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	14	179.6	0	0	0	0	0	115	N469 K504	N469-G506 WeakPolarHBondContact O-CA 3.36Å; N469-G506 PolarHBondContact O-N 2.81Å; K504-G506 PolarHBondContact O-N 2.93Å
507	K	95.5	Very high	93	Very high	132 Å²	132	55.6 Å²	55.6	57%	0.574	33%	0.327	S	S	*	.			trans	-100.7	148.8	174.9	-63.4	-57	-175.2	-177.1	0	111.2	N469 K504 P505	N469-K507 PolarHBondContact N-O 3.27Å; K504-K507 HydrophobicContact CB-CB 4.37Å; K504-K507 HydrophobicContact CB-CG 3.84Å; K504-K507 WeakPolarHBondContact O-CB 3.44Å; K504-K507 PolarHBondContact O-N 2.75Å; P505-K507 PolarHBondContact O-N 3.36Å
508	S	95.3	Very high	92.3	Very high	60 Å²	60	56.4 Å²	56.4	42%	0.42	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	154.8	178.6	55	0	0	0	0	112.2	L467	L467-S508 CarbonylContact O-C 3.51Å; L467-S508 WeakPolarHBondContact O-CA 3.43Å; L467-S508 VanDerWaalsContact O-CB 3.27Å; L467-S508 WeakPolarHBondContact O-CB 3.4Å
509	C	95	Very high	91.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116	169.8	166.6	0	0	0	0	108.6	L467 L503 P523 S524 L526	L467-C509 PolarHBondContact N-O 3.44Å; L467-C509 PolarHBondContact O-N 2.86Å; L503-C509 HydrophobicContact CD2-CB 3.73Å; C509-P523 VanDerWaalsContact CB-O 3.24Å; C509-P523 WeakPolarHBondContact CB-O 3.33Å; C509-P523 PolarHBondContact SG-O 3.37Å; C509-P523 VanDerWaalsContact SG-O 3.36Å; C509-S524 CarbonylContact C-O 3.58Å; C509-S524 VanDerWaalsContact CA-O 3.3Å; C509-S524 WeakPolarHBondContact CA-O 3.35Å; C509-L526 VanDerWaalsContact SG-CD1 3.58Å
510	K	96.1	Very high	91.5	Very high	53 Å²	53	52.8 Å²	52.8	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.2	175.5	-179.8	171.7	-94.9	-168.3	0	109.6	F464 I466 W512 S524 E525 L526	F464-K510 HydrophobicContact CB-CD 4.45Å; F464-K510 HydrophobicContact CB-CG 4.12Å; F464-K510 HydrophobicContact CD2-CD 4.22Å; F464-K510 HydrophobicContact CD2-CG 4.24Å; F464-K510 HydrophobicContact CG-CD 4.2Å; F464-K510 HydrophobicContact CG-CG 4.29Å; I466-K510 HydrophobicContact CG1-CB 4.27Å; I466-K510 HydrophobicContact CG1-CD 4.5Å; I466-K510 HydrophobicContact CG1-CG 4.11Å; K510-W512 HydrophobicContact CD-CD2 4.48Å; K510-W512 HydrophobicContact CD-CZ2 3.62Å; K510-S524 PolarHBondContact N-O 3.21Å; K510-E525 WeakPolarHBondContact O-CA 3.29Å; K510-L526 PolarHBondContact O-N 2.95Å
511	I	95.5	Very high	91.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	104.6	-177.2	-47.1	171.3	0	0	0	108.2	F464 I465 L467 L483 Y495 L497 L526 C528 W534	F464-I511 CarbonylContact C-O 3.58Å; F464-I511 VanDerWaalsContact CA-O 3.27Å; F464-I511 WeakPolarHBondContact CA-O 3.46Å; I465-I511 PolarHBondContact N-O 3.44Å; I465-I511 PolarHBondContact O-N 2.84Å; L467-I511 HydrophobicContact CD1-CD1 3.88Å; L467-I511 HydrophobicContact CG-CD1 4.06Å; L483-I511 HydrophobicContact CD2-CD1 4.01Å; Y495-I511 HydrophobicContact CD1-CG2 4.08Å; Y495-I511 HydrophobicContact CE1-CD1 4.47Å; Y495-I511 HydrophobicContact CE1-CG2 3.75Å; L497-I511 HydrophobicContact CD1-CD1 4.34Å; L497-I511 HydrophobicContact CG-CD1 4.45Å; I511-L526 CarbonylContact C-O 3.43Å; I511-L526 WeakPolarHBondContact CA-O 3.29Å; I511-L526 HydrophobicContact CG1-CB 4.29Å; I511-L526 HydrophobicContact CG1-CD1 4.45Å; I511-L526 HydrophobicContact CG2-CB 4.18Å; I511-C528 HydrophobicContact CG2-CB 4.49Å; I511-W534 HydrophobicContact CB-CZ2 4.33Å; I511-W534 HydrophobicContact CG2-CZ2 3.71Å; I511-W534 PolarHBondContact O-NE1 2.83Å; I511-W534 VanDerWaalsContact O-NE1 3.12Å
512	W	96.5	Very high	91.3	Very high	42 Å²	42	58.7 Å²	58.7	16%	0.159	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	145.1	179	-66.8	93.7	0	0	0	110.9	F464 K510 Q516 G518 L526 C528	F464-W512 HydrophobicContact CB-CD2 4.09Å; F464-W512 HydrophobicContact CB-CE3 3.97Å; F464-W512 HydrophobicContact CB-CG 4.49Å; F464-W512 HydrophobicContact CB-CZ3 4.43Å; F464-W512 HydrophobicContact CD1-CE3 4.18Å; F464-W512 HydrophobicContact CD1-CH2 4.05Å; F464-W512 AromaticContact CD1-CZ3 3.78Å; F464-W512 HydrophobicContact CD1-CZ3 3.78Å; F464-W512 HydrophobicContact CG-CZ3 4.5Å; K510-W512 HydrophobicContact CD-CD2 4.48Å; K510-W512 HydrophobicContact CD-CZ2 3.62Å; W512-Q516 HydrophobicContact CE3-CB 4.24Å; W512-Q516 VanDerWaalsContact CZ3-O 3.25Å; W512-Q516 WeakPolarHBondContact CZ3-O 3.25Å; W512-G518 VanDerWaalsContact CG-CA 3.46Å; W512-L526 PolarHBondContact N-O 3.14Å; W512-C528 WeakPolarHBondContact O-CB 3.4Å; W512-C528 PolarHBondContact O-N 3.43Å
513	A	94.6	Very high	91	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	158.3	162.2	0	0	0	0	0	110.4	K463 D515 Q516 S533 W534	K463-A513 PolarHBondContact O-N 3.16Å; A513-D515 PolarHBondContact O-N 3.47Å; A513-Q516 HydrophobicContact CB-CG 3.86Å; A513-Q516 PolarHBondContact O-N 3.34Å; A513-S533 VanDerWaalsContact CB-CA 3.49Å; A513-W534 HydrophobicContact CB-CG 4.47Å
514	N	92.2	Very high	90.8	Very high	45 Å²	45	62 Å²	62	24%	0.241	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	137.8	-179.3	-158.3	59.1	0	0	0	110.7	Q516 C528 E531 S532	N514-Q516 PolarHBondContact O-N 3.45Å; N514-Q516 VanDerWaalsContact O-N 3.09Å; N514-C528 WeakPolarHBondContact CB-O 3.46Å; N514-C528 PolarHBondContact N-O 3.5Å; N514-C528 VanDerWaalsContact N-O 3.14Å; N514-E531 VanDerWaalsContact CB-O 3.27Å; N514-E531 WeakPolarHBondContact CB-O 3.35Å; N514-E531 PolarHBondContact N-O 2.85Å; N514-S532 VanDerWaalsContact O-CA 3.31Å; N514-S532 WeakPolarHBondContact O-CA 3.32Å
515	D	87.9	Confident	90.7	Very high	136 Å²	136	58.1 Å²	58.1	73%	0.727	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	11.9	178.6	-51.6	-42	0	0	0	116.4	A513 G517	A513-D515 PolarHBondContact O-N 3.47Å; D515-G517 VanDerWaalsContact C-N 3.27Å; D515-G517 PolarHBondContact O-N 3.37Å
516	Q	89.1	Confident	90.7	Very high	72 Å²	72	56.1 Å²	56.1	34%	0.336	34%	0.341	S	S	.	.	S	Bend	trans	-88.3	21.1	176.5	-63.2	-60.3	-34.4	0	0	114.1	K463 W512 A513 N514 S532	K463-Q516 HydrophobicContact CB-CB 4.31Å; W512-Q516 HydrophobicContact CE3-CB 4.24Å; W512-Q516 VanDerWaalsContact CZ3-O 3.25Å; W512-Q516 WeakPolarHBondContact CZ3-O 3.25Å; A513-Q516 HydrophobicContact CB-CG 3.86Å; A513-Q516 PolarHBondContact O-N 3.34Å; N514-Q516 PolarHBondContact O-N 3.45Å; N514-Q516 VanDerWaalsContact O-N 3.09Å; Q516-S532 WeakPolarHBondContact CG-O 3.48Å; Q516-S532 PolarHBondContact NE2-O 3.37Å
517	G	81.1	Confident	90.7	Very high	74 Å²	74	55.6 Å²	55.6	76%	0.763	33%	0.326	S	S	*	.	S	Bend	trans	86.5	9.1	173.9	0	0	0	0	0	116.3	D515	D515-G517 VanDerWaalsContact C-N 3.27Å; D515-G517 PolarHBondContact O-N 3.37Å
518	G	80	Confident	90.6	Very high	20 Å²	20	49.3 Å²	49.3	21%	0.206	30%	0.299	C	S	.	.			trans	-79.2	144.5	175.5	0	0	0	0	0	114	W512 I527	W512-G518 VanDerWaalsContact CG-CA 3.46Å; G518-I527 WeakPolarHBondContact O-CD1 3.36Å
519	S	81.9	Confident	90.2	Very high	54 Å²	54	51.7 Å²	51.7	38%	0.378	31%	0.311	S	S	.	.			trans	-93.3	149.8	163.8	35.4	0	0	0	0	111.1	E525	S519-E525 VanDerWaalsContact O-CB 3.24Å; S519-E525 WeakPolarHBondContact O-CB 3.5Å; S519-E525 PolarHBondContact OG-OE2 3.36Å
520	S	86.6	Confident	89.8	Confident	71 Å²	71	55.3 Å²	55.3	50%	0.497	34%	0.337	S	S	.	.			trans	-92.9	104.5	175.9	-171.3	0	0	0	0	110.1
521	H	89.6	Confident	89.5	Confident	113 Å²	113	55.6 Å²	55.6	52%	0.523	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-133.6	77.4	176.7	-68.2	-57.6	0	0	0	110.7	S524 E525	H521-S524 PolarHBondContact O-N 3.04Å; H521-S524 PolarHBondContact O-OG 2.98Å; H521-E525 CarbonylContact C-O 3.52Å; H521-E525 HydrophobicContact CB-CB 4.29Å; H521-E525 IonicContact CD2-OE2 3.27Å; H521-E525 PolarHBondContact N-O 2.94Å; H521-E525 PolarHBondContact O-N 3.42Å
522	P	87.6	Confident	89.3	Confident	77 Å²	77	58.9 Å²	58.9	50%	0.5	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	141.3	178.6	-17.2	29	0	0	0	111.4	I501 L526	I501-P522 HydrophobicContact CD1-CB 3.76Å; P522-L526 HydrophobicContact CB-CD2 3.95Å; P522-L526 HydrophobicContact CG-CD2 3.95Å
523	P	88.4	Confident	89.1	Confident	57 Å²	57	58.2 Å²	58.2	37%	0.37	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.1	-1.9	2.9	36.1	-35.5	0	0	0	114.5	I501 C509	I501-P523 HydrophobicContact CD1-CB 4.22Å; I501-P523 HydrophobicContact CG2-CB 3.79Å; C509-P523 VanDerWaalsContact CB-O 3.24Å; C509-P523 WeakPolarHBondContact CB-O 3.33Å; C509-P523 PolarHBondContact SG-O 3.37Å; C509-P523 VanDerWaalsContact SG-O 3.36Å
524	S	90.1	Very high	89.1	Confident	63 Å²	63	58.2 Å²	58.2	44%	0.441	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-34	-171.9	40.8	0	0	0	0	114.6	C509 K510 H521	C509-S524 CarbonylContact C-O 3.58Å; C509-S524 VanDerWaalsContact CA-O 3.3Å; C509-S524 WeakPolarHBondContact CA-O 3.35Å; K510-S524 PolarHBondContact N-O 3.21Å; H521-S524 PolarHBondContact O-N 3.04Å; H521-S524 PolarHBondContact O-OG 2.98Å
525	E	94.1	Very high	89	Confident	53 Å²	53	56.3 Å²	56.3	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.5	177.9	-60.8	-167.9	150.8	0	0	110.5	K510 S519 H521	K510-E525 WeakPolarHBondContact O-CA 3.29Å; S519-E525 VanDerWaalsContact O-CB 3.24Å; S519-E525 WeakPolarHBondContact O-CB 3.5Å; S519-E525 PolarHBondContact OG-OE2 3.36Å; H521-E525 CarbonylContact C-O 3.52Å; H521-E525 HydrophobicContact CB-CB 4.29Å; H521-E525 IonicContact CD2-OE2 3.27Å; H521-E525 PolarHBondContact N-O 2.94Å; H521-E525 PolarHBondContact O-N 3.42Å
526	L	94.7	Very high	89	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.016	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.6	177.6	-62.7	178.1	0	0	0	109.7	L497 P498 I501 C509 K510 I511 W512 P522	L497-L526 HydrophobicContact CD2-CD1 4.23Å; L497-L526 HydrophobicContact CG-CD1 4.23Å; P498-L526 HydrophobicContact CG-CD2 4.33Å; I501-L526 HydrophobicContact CD1-CD2 4.21Å; C509-L526 VanDerWaalsContact SG-CD1 3.58Å; K510-L526 PolarHBondContact O-N 2.95Å; I511-L526 CarbonylContact C-O 3.43Å; I511-L526 WeakPolarHBondContact CA-O 3.29Å; I511-L526 HydrophobicContact CG1-CB 4.29Å; I511-L526 HydrophobicContact CG1-CD1 4.45Å; I511-L526 HydrophobicContact CG2-CB 4.18Å; W512-L526 PolarHBondContact N-O 3.14Å; P522-L526 HydrophobicContact CB-CD2 3.95Å; P522-L526 HydrophobicContact CG-CD2 3.95Å
527	I	93.7	Very high	88.9	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.205	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.7	175.5	-56.8	177.1	0	0	0	108.8	Y495 G518 T529	Y495-I527 PolarHBondContact OH-O 3.17Å; G518-I527 WeakPolarHBondContact O-CD1 3.36Å; I527-T529 HydrophobicContact CG2-CG2 4.33Å; I527-T529 PolarHBondContact O-N 3.26Å
528	C	92	Very high	89.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	94.6	168.1	-178	0	0	0	0	108.6	Y495 I511 W512 N514 S530 W534	Y495-C528 HydrophobicContact CD2-CB 3.89Å; Y495-C528 VanDerWaalsContact CD2-SG 3.55Å; Y495-C528 HydrophobicContact CE2-CB 4.09Å; Y495-C528 HydrophobicContact CG-CB 4.31Å; I511-C528 HydrophobicContact CG2-CB 4.49Å; W512-C528 WeakPolarHBondContact O-CB 3.4Å; W512-C528 PolarHBondContact O-N 3.43Å; N514-C528 WeakPolarHBondContact CB-O 3.46Å; N514-C528 PolarHBondContact N-O 3.5Å; N514-C528 VanDerWaalsContact N-O 3.14Å; C528-S530 PolarHBondContact O-N 2.77Å; C528-S530 PolarHBondContact SG-OG 2.83Å; C528-W534 HydrophobicContact CB-CH2 4.2Å; C528-W534 HydrophobicContact CB-CZ2 3.69Å
529	T	86.8	Confident	89.7	Confident	110 Å²	110	53.1 Å²	53.1	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.3	-175.5	56.8	0	0	0	0	113.9	I527	I527-T529 HydrophobicContact CG2-CG2 4.33Å; I527-T529 PolarHBondContact O-N 3.26Å
530	S	88	Confident	90.2	Very high	77 Å²	77	50.6 Å²	50.6	54%	0.538	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-20.6	-177.2	53.4	0	0	0	0	113.9	C528	C528-S530 PolarHBondContact O-N 2.77Å; C528-S530 PolarHBondContact SG-OG 2.83Å
531	E	89.4	Confident	90.6	Very high	58 Å²	58	49.3 Å²	49.3	27%	0.271	30%	0.303	S	S	.	.			trans	-143.7	134.7	-170.4	-73.6	-67.8	-173.7	0	0	111.5	R491 I493 N514 S533	R491-E531 IonicContact CZ-OE2 2.96Å; R491-E531 IonicContact NH2-OE1 2.62Å; R491-E531 PolarHBondContact NH2-OE1 2.98Å; R491-E531 VanDerWaalsContact NH2-OE1 3.08Å; R491-E531 IonicContact NH2-OE2 3.12Å; R491-E531 PolarHBondContact NH2-OE2 2.83Å; I493-E531 HydrophobicContact CD1-CG 4.46Å; I493-E531 HydrophobicContact CG1-CG 4.33Å; I493-E531 HydrophobicContact CG2-CB 4.47Å; I493-E531 HydrophobicContact CG2-CG 3.92Å; N514-E531 VanDerWaalsContact CB-O 3.27Å; N514-E531 WeakPolarHBondContact CB-O 3.35Å; N514-E531 PolarHBondContact N-O 2.85Å; E531-S533 VanDerWaalsContact C-N 3.28Å; E531-S533 PolarHBondContact O-N 3.35Å
532	S	91	Very high	90.9	Very high	70 Å²	70	44 Å²	44	49%	0.49	28%	0.278	S	S	.	.	S	Bend	trans	-79.8	-6.6	178.3	60.1	0	0	0	0	114.4	N514 Q516	N514-S532 VanDerWaalsContact O-CA 3.31Å; N514-S532 WeakPolarHBondContact O-CA 3.32Å; Q516-S532 WeakPolarHBondContact CG-O 3.48Å; Q516-S532 PolarHBondContact NE2-O 3.37Å
533	S	93	Very high	91.2	Very high	28 Å²	28	41.8 Å²	41.8	20%	0.196	26%	0.261	C	S	.	.			trans	-157.3	143.4	173.3	173.6	0	0	0	0	110.6	G462 I493 A513 E531 G535	G462-S533 PolarHBondContact O-OG 3.22Å; I493-S533 VanDerWaalsContact CD1-O 3.29Å; I493-S533 WeakPolarHBondContact CD1-O 3.16Å; A513-S533 VanDerWaalsContact CB-CA 3.49Å; E531-S533 VanDerWaalsContact C-N 3.28Å; E531-S533 PolarHBondContact O-N 3.35Å; S533-G535 PolarHBondContact O-N 2.84Å; S533-G535 PolarHBondContact OG-N 3.41Å
534	W	94.2	Very high	91.6	Very high	1 Å²	1	39 Å²	39	0%	0.004	24%	0.243	C	C	.	.			trans	-71.5	-6.8	168.1	-70.5	107.6	0	0	0	113.8	G462 I465 L483 R485 I487 I493 Y495 I511 A513 C528	G462-W534 WeakPolarHBondContact O-CB 3.36Å; G462-W534 PolarHBondContact O-N 2.84Å; I465-W534 HydrophobicContact CD1-CB 4.26Å; I465-W534 HydrophobicContact CD1-CD2 3.45Å; I465-W534 VanDerWaalsContact CD1-CD2 3.45Å; I465-W534 HydrophobicContact CD1-CE3 3.58Å; I465-W534 HydrophobicContact CD1-CG 3.77Å; I465-W534 HydrophobicContact CD1-CH2 4.44Å; I465-W534 HydrophobicContact CD1-CZ2 4.35Å; I465-W534 HydrophobicContact CD1-CZ3 4.08Å; I465-W534 HydrophobicContact CG1-CD2 4.07Å; I465-W534 HydrophobicContact CG1-CG 4Å; L483-W534 HydrophobicContact CD2-CH2 3.67Å; L483-W534 HydrophobicContact CD2-CZ2 4.07Å; L483-W534 HydrophobicContact CD2-CZ3 4.09Å; L483-W534 HydrophobicContact CG-CH2 4.35Å; L483-W534 HydrophobicContact CG-CZ3 4.43Å; R485-W534 HydrophobicContact CB-CE3 4.45Å; R485-W534 WeakPolarHBondContact CD-O 3.2Å; I487-W534 WeakPolarHBondContact CD1-O 3.36Å; I493-W534 HydrophobicContact CB-CE3 4.46Å; I493-W534 WeakPolarHBondContact CD1-O 3.3Å; I493-W534 HydrophobicContact CG2-CE3 3.83Å; I493-W534 HydrophobicContact CG2-CZ3 3.72Å; Y495-W534 VanDerWaalsContact CB-CH2 3.5Å; Y495-W534 HydrophobicContact CD1-CH2 4.26Å; Y495-W534 HydrophobicContact CG-CH2 4.03Å; I511-W534 HydrophobicContact CB-CZ2 4.33Å; I511-W534 HydrophobicContact CG2-CZ2 3.71Å; I511-W534 PolarHBondContact O-NE1 2.83Å; I511-W534 VanDerWaalsContact O-NE1 3.12Å; A513-W534 HydrophobicContact CB-CG 4.47Å; C528-W534 HydrophobicContact CB-CH2 4.2Å; C528-W534 HydrophobicContact CB-CZ2 3.69Å
535	G	90.1	Very high	91.9	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	23%	0.229	C	C	.	.			trans	79.4	152.4	177.3	0	0	0	0	0	115.4	R485 S533	R485-G535 PolarHBondContact NH2-O 3.3Å; S533-G535 PolarHBondContact O-N 2.84Å; S533-G535 PolarHBondContact OG-N 3.41Å
536	S	88	Confident	91.7	Very high	78 Å²	78	35.5 Å²	35.5	55%	0.545	22%	0.22	S	C	.	.			trans	-122	144.2	177.1	58.3	0	0	0	0	109.6	L460 I487	L460-S536 VanDerWaalsContact O-CB 3.3Å; L460-S536 WeakPolarHBondContact O-CB 3.36Å; I487-S536 WeakPolarHBondContact CG2-O 3.39Å
537	G	87.7	Confident	91.5	Very high	21 Å²	21	41.3 Å²	41.3	22%	0.216	24%	0.242	C	C	.	.			trans	-166.5	174.3	-179.5	0	0	0	0	0	112	D488	D488-G537 WeakPolarHBondContact OD2-CA 3.33Å
538	S	87	Confident	91.2	Very high	74 Å²	74	45.9 Å²	45.9	52%	0.517	27%	0.267	S	S	.	.	S	Bend	trans	-80.6	-26.3	176.7	57.8	0	0	0	0	112.7	D488 A558 C559	D488-S538 PolarHBondContact OD1-N 3.4Å; D488-S538 PolarHBondContact OD1-OG 3.36Å; S538-A558 CarbonylContact O-C 3.57Å; S538-A558 WeakPolarHBondContact O-CA 3.2Å; S538-C559 PolarHBondContact O-N 3.41Å
539	N	89.7	Confident	90.9	Very high	62 Å²	62	48 Å²	48	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	104.3	174.4	-173.1	3.9	0	0	0	111.2	D488 H541 Q557	D488-N539 WeakPolarHBondContact CA-O 3.35Å; D488-N539 PolarHBondContact N-O 3.04Å; D488-N539 PolarHBondContact OD1-N 3.23Å; N539-H541 PolarHBondContact OD1-CD2 2.82Å; N539-H541 VanDerWaalsContact OD1-CD2 3.28Å; N539-H541 PolarHBondContact OD1-NE2 2.83Å; N539-H541 VanDerWaalsContact OD1-NE2 3.08Å; N539-Q557 CarbonylContact C-O 3.55Å; N539-Q557 WeakPolarHBondContact CA-O 3.48Å
540	V	93.4	Very high	91.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.8	-172.7	-175.2	0	0	0	0	110.4	R485 R486 I487 Q557	R485-V540 HydrophobicContact CG-CG1 3.89Å; R485-V540 VanDerWaalsContact NE-CG1 3.3Å; R486-V540 CarbonylContact O-C 3.53Å; R486-V540 WeakPolarHBondContact O-CA 3.39Å; I487-V540 HydrophobicContact CG1-CG1 4.46Å; I487-V540 HydrophobicContact CG2-CG2 4.37Å; V540-Q557 HydrophobicContact CB-CB 4.31Å; V540-Q557 PolarHBondContact N-O 2.84Å; V540-Q557 PolarHBondContact O-N 3.46Å
541	H	94.1	Very high	91.1	Very high	45 Å²	45	47.5 Å²	47.5	21%	0.208	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.2	177.2	-65.4	-115.7	0	0	0	110	R485 R486 N539 F543 T555 I556	R485-H541 CarbonylContact C-O 3.5Å; R485-H541 WeakPolarHBondContact CA-O 3.4Å; R486-H541 HydrophobicContact CB-CB 4.4Å; R486-H541 PolarHBondContact N-O 3.49Å; R486-H541 PolarHBondContact O-N 3.46Å; N539-H541 PolarHBondContact OD1-CD2 2.82Å; N539-H541 VanDerWaalsContact OD1-CD2 3.28Å; N539-H541 PolarHBondContact OD1-NE2 2.83Å; N539-H541 VanDerWaalsContact OD1-NE2 3.08Å; H541-F543 HydrophobicContact CB-CE2 3.65Å; H541-F543 HydrophobicContact CB-CZ 3.84Å; H541-T555 CarbonylContact C-O 3.59Å; H541-T555 WeakPolarHBondContact CA-O 3.46Å; H541-I556 WeakPolarHBondContact ND1-CG1 3.41Å
542	T	95.4	Very high	91	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.5	178.5	-45.2	0	0	0	0	110.2	I455 I465 L483 K484 R485 E554 T555	I455-T542 HydrophobicContact CD1-CG2 3.66Å; I465-T542 HydrophobicContact CD1-CG2 4.17Å; L483-T542 HydrophobicContact CD1-CG2 4.03Å; K484-T542 CarbonylContact O-C 3.52Å; K484-T542 WeakPolarHBondContact O-CA 3.14Å; R485-T542 HydrophobicContact CB-CG2 4.22Å; R485-T542 HydrophobicContact CG-CG2 4.31Å; T542-E554 CarbonylContact O-C 3.56Å; T542-E554 VanDerWaalsContact O-CA 3.26Å; T542-E554 WeakPolarHBondContact O-CA 3.26Å; T542-T555 PolarHBondContact N-O 2.87Å; T542-T555 PolarHBondContact O-N 3.31Å
543	F	95.2	Very high	91.1	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.127	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.6	-175.3	-52.5	-91.2	0	0	0	110.3	L483 K484 H541 I551 Y553 E554	L483-F543 WeakPolarHBondContact CA-O 3.4Å; K484-F543 HydrophobicContact CB-CB 4.35Å; K484-F543 HydrophobicContact CG-CD2 4.2Å; K484-F543 PolarHBondContact N-O 2.88Å; K484-F543 PolarHBondContact O-N 3.42Å; H541-F543 HydrophobicContact CB-CE2 3.65Å; H541-F543 HydrophobicContact CB-CZ 3.84Å; F543-I551 HydrophobicContact CD1-CD1 4.21Å; F543-I551 HydrophobicContact CD1-CG2 4.44Å; F543-Y553 CarbonylContact C-O 3.56Å; F543-Y553 WeakPolarHBondContact CA-O 3.43Å; F543-E554 HydrophobicContact CD1-CB 3.74Å; F543-E554 HydrophobicContact CE1-CB 4.14Å; F543-E554 WeakPolarHBondContact CE1-OE2 3.17Å
544	L	96.7	Very high	91.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.3	169.1	-177	67.3	0	0	0	108.6	V453 I455 L467 W481 L483 Y552 Y553	V453-L544 HydrophobicContact CB-CD2 4.22Å; V453-L544 HydrophobicContact CG1-CD2 3.78Å; I455-L544 HydrophobicContact CD1-CB 4.35Å; I455-L544 HydrophobicContact CG1-CB 4.41Å; L467-L544 HydrophobicContact CD1-CD1 3.86Å; L467-L544 HydrophobicContact CD2-CD1 4.09Å; L467-L544 HydrophobicContact CD2-CD2 4.15Å; W481-L544 HydrophobicContact CE3-CD1 4.05Å; W481-L544 HydrophobicContact CE3-CD2 3.89Å; W481-L544 HydrophobicContact CE3-CG 3.84Å; W481-L544 HydrophobicContact CZ3-CD2 3.84Å; W481-L544 HydrophobicContact CZ3-CG 4.2Å; L483-L544 HydrophobicContact CD1-CD1 4.23Å; L544-Y552 PolarHBondContact O-N 3.33Å; L544-Y553 PolarHBondContact N-O 3Å; L544-Y553 PolarHBondContact O-N 2.82Å
545	M	95.1	Very high	91	Very high	31 Å²	31	47 Å²	47	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.3	-177.4	-62.7	167.9	-69.2	0	0	110.8	W481 K482 K484 E550 I551	W481-M545 CarbonylContact C-O 3.6Å; W481-M545 WeakPolarHBondContact CA-O 3.5Å; W481-M545 VanDerWaalsContact CB-O 3.29Å; W481-M545 WeakPolarHBondContact CB-O 3.37Å; K482-M545 HydrophobicContact CB-CB 4.4Å; K482-M545 HydrophobicContact CB-CE 3.9Å; K482-M545 PolarHBondContact N-O 2.8Å; K482-M545 PolarHBondContact O-N 2.96Å; K484-M545 HydrophobicContact CB-CE 3.56Å; K484-M545 HydrophobicContact CD-CE 3.95Å; K484-M545 HydrophobicContact CG-CE 4.4Å; M545-E550 CarbonylContact C-O 3.59Å; M545-E550 VanDerWaalsContact CA-O 3.22Å; M545-E550 WeakPolarHBondContact CA-O 3.5Å; M545-I551 HydrophobicContact CG-CG1 3.97Å
546	N	91.5	Very high	91.1	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.053	26%	0.263	C	S	.	.			trans	-75.8	-174.3	173.7	73.4	-4	0	0	0	111.8	W481 D548 G549 E550 Y552	W481-N546 HydrophobicContact CD2-CB 4.37Å; W481-N546 HydrophobicContact CZ2-CB 4.32Å; N546-D548 VanDerWaalsContact C-N 3.26Å; N546-D548 PolarHBondContact O-N 2.69Å; N546-D548 PolarHBondContact OD1-N 3.26Å; N546-D548 VanDerWaalsContact OD1-N 3.13Å; N546-G549 PolarHBondContact O-N 3.38Å; N546-G549 VanDerWaalsContact O-N 3.13Å; N546-G549 PolarHBondContact OD1-N 3.27Å; N546-G549 VanDerWaalsContact OD1-N 3.08Å; N546-E550 PolarHBondContact N-O 3.43Å; N546-E550 PolarHBondContact ND2-OE2 3.5Å; N546-E550 WeakPolarHBondContact OD1-CB 3.36Å; N546-E550 PolarHBondContact OD1-N 2.86Å; N546-E550 PolarHBondContact OD1-O 3.26Å; N546-Y552 HydrophobicContact CB-CD2 3.76Å; N546-Y552 HydrophobicContact CB-CE2 3.7Å; N546-Y552 WeakPolarHBondContact ND2-CE2 3.16Å
547	R	88.8	Confident	91.1	Very high	125 Å²	125	45.3 Å²	45.3	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.4	179.7	-59.5	-172.3	-172.3	166.6	3.2	113.4	N477 G479 E480 G549	N477-R547 PolarHBondContact ND2-NH2 2.8Å; N477-R547 PolarHBondContact OD1-NH2 2.88Å; N477-R547 VanDerWaalsContact OD1-NH2 3.08Å; G479-R547 PolarHBondContact O-NE 3.18Å; G479-R547 PolarHBondContact O-NH2 3.13Å; G479-R547 VanDerWaalsContact O-NH2 3.09Å; E480-R547 HydrophobicContact CB-CG 4.06Å; E480-R547 IonicContact OE2-CZ 2.62Å; E480-R547 IonicContact OE2-NE 3.08Å; E480-R547 PolarHBondContact OE2-NE 3.49Å; E480-R547 IonicContact OE2-NH1 3.49Å; R547-G549 PolarHBondContact O-N 2.91Å
548	D	88.6	Confident	90.8	Very high	137 Å²	137	45.9 Å²	45.9	73%	0.733	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.2	179.8	-54.8	-51.6	0	0	0	112.5	N546 E550	N546-D548 VanDerWaalsContact C-N 3.26Å; N546-D548 PolarHBondContact O-N 2.69Å; N546-D548 PolarHBondContact OD1-N 3.26Å; N546-D548 VanDerWaalsContact OD1-N 3.13Å; D548-E550 HydrophobicContact CB-CG 4.35Å
549	G	85.8	Confident	90.1	Very high	45 Å²	45	46.9 Å²	46.9	46%	0.464	25%	0.247	S	C	.	.			trans	83.5	8.7	-178.2	0	0	0	0	0	114.1	N546 R547	N546-G549 PolarHBondContact O-N 3.38Å; N546-G549 VanDerWaalsContact O-N 3.13Å; N546-G549 PolarHBondContact OD1-N 3.27Å; N546-G549 VanDerWaalsContact OD1-N 3.08Å; R547-G549 PolarHBondContact O-N 2.91Å
550	E	89.9	Confident	90.2	Very high	115 Å²	115	46.1 Å²	46.1	54%	0.537	24%	0.243	S	C	.	.			trans	-74.5	131.6	174.8	-57.9	-177.5	147.8	0	0	110.4	M545 N546 D548 Y552	M545-E550 CarbonylContact C-O 3.59Å; M545-E550 VanDerWaalsContact CA-O 3.22Å; M545-E550 WeakPolarHBondContact CA-O 3.5Å; N546-E550 PolarHBondContact N-O 3.43Å; N546-E550 PolarHBondContact ND2-OE2 3.5Å; N546-E550 WeakPolarHBondContact OD1-CB 3.36Å; N546-E550 PolarHBondContact OD1-N 2.86Å; N546-E550 PolarHBondContact OD1-O 3.26Å; D548-E550 HydrophobicContact CB-CG 4.35Å; E550-Y552 PolarHBondContact O-N 3.18Å
551	I	88.7	Confident	90	Very high	61 Å²	61	48.5 Å²	48.5	31%	0.313	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	112	176.1	-58.5	170.8	0	0	0	108.8	F543 M545 E554	F543-I551 HydrophobicContact CD1-CD1 4.21Å; F543-I551 HydrophobicContact CD1-CG2 4.44Å; M545-I551 HydrophobicContact CG-CG1 3.97Å; I551-E554 HydrophobicContact CG2-CB 4.26Å
552	Y	87.6	Confident	89.8	Confident	62 Å²	62	48.7 Å²	48.7	24%	0.243	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-31.9	177.2	-101	-118.9	0	0	0	112.4	K450 W481 L544 N546 E550	K450-Y552 PolarHBondContact N-O 3.4Å; W481-Y552 AromaticContact CH2-CD1 3.36Å; W481-Y552 HydrophobicContact CH2-CD1 3.36Å; W481-Y552 AromaticContact CH2-CE1 3.65Å; W481-Y552 HydrophobicContact CH2-CE1 3.65Å; W481-Y552 AromaticContact CH2-CG 3.98Å; W481-Y552 HydrophobicContact CH2-CG 3.98Å; W481-Y552 HydrophobicContact CZ2-CD1 4.2Å; W481-Y552 HydrophobicContact CZ2-CE1 4.12Å; W481-Y552 AromaticContact CZ3-CD1 3.8Å; W481-Y552 HydrophobicContact CZ3-CD1 3.8Å; W481-Y552 HydrophobicContact CZ3-CG 4.07Å; L544-Y552 PolarHBondContact O-N 3.33Å; N546-Y552 HydrophobicContact CB-CD2 3.76Å; N546-Y552 HydrophobicContact CB-CE2 3.7Å; N546-Y552 WeakPolarHBondContact ND2-CE2 3.16Å; E550-Y552 PolarHBondContact O-N 3.18Å
553	Y	92.6	Very high	89.4	Confident	15 Å²	15	51.5 Å²	51.5	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.6	177	-169.4	-85.9	0	0	0	110.6	R447 S448 A449 T454 I455 F543 L544 T555	R447-Y553 WeakPolarHBondContact CB-OH 3.37Å; R447-Y553 VanDerWaalsContact CD-OH 3.26Å; R447-Y553 WeakPolarHBondContact CD-OH 3.33Å; R447-Y553 VanDerWaalsContact CG-OH 3.31Å; R447-Y553 WeakPolarHBondContact CG-OH 3.16Å; S448-Y553 CarbonylContact O-C 3.59Å; S448-Y553 VanDerWaalsContact O-CA 3.31Å; S448-Y553 WeakPolarHBondContact O-CA 3.37Å; S448-Y553 WeakPolarHBondContact O-CD2 3.26Å; A449-Y553 HydrophobicContact CB-CD2 3.42Å; A449-Y553 VanDerWaalsContact CB-CD2 3.42Å; A449-Y553 HydrophobicContact CB-CE2 3.76Å; T454-Y553 HydrophobicContact CG2-CD2 3.7Å; T454-Y553 HydrophobicContact CG2-CE2 3.62Å; I455-Y553 HydrophobicContact CB-CD1 3.72Å; I455-Y553 HydrophobicContact CB-CE1 3.58Å; I455-Y553 HydrophobicContact CD1-CD1 3.75Å; I455-Y553 HydrophobicContact CD1-CE1 4.26Å; I455-Y553 HydrophobicContact CG1-CD1 3.54Å; I455-Y553 HydrophobicContact CG1-CE1 3.97Å; I455-Y553 HydrophobicContact CG1-CG 4.38Å; I455-Y553 PolarHBondContact O-OH 3Å; F543-Y553 CarbonylContact C-O 3.56Å; F543-Y553 WeakPolarHBondContact CA-O 3.43Å; L544-Y553 PolarHBondContact N-O 3Å; L544-Y553 PolarHBondContact O-N 2.82Å; Y553-T555 HydrophobicContact CE1-CG2 4.38Å
554	E	92.7	Very high	89.1	Confident	63 Å²	63	52.9 Å²	52.9	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.6	169.8	62.7	-177.8	-178.8	0	0	111.4	R447 S448 T542 F543 I551	R447-E554 CarbonylContact C-O 3.54Å; R447-E554 WeakPolarHBondContact CA-O 3.32Å; S448-E554 PolarHBondContact N-O 3.33Å; S448-E554 PolarHBondContact O-N 3.26Å; T542-E554 CarbonylContact O-C 3.56Å; T542-E554 VanDerWaalsContact O-CA 3.26Å; T542-E554 WeakPolarHBondContact O-CA 3.26Å; F543-E554 HydrophobicContact CD1-CB 3.74Å; F543-E554 HydrophobicContact CE1-CB 4.14Å; F543-E554 WeakPolarHBondContact CE1-OE2 3.17Å; I551-E554 HydrophobicContact CG2-CB 4.26Å
555	T	92.8	Very high	88.6	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.3	171.3	-175.2	0	0	0	0	110.4	Q446 R447 I455 H541 T542 Y553	Q446-T555 CarbonylContact O-C 3.59Å; Q446-T555 VanDerWaalsContact O-CA 3.26Å; Q446-T555 WeakPolarHBondContact O-CA 3.35Å; R447-T555 WeakPolarHBondContact CG-OG1 3.34Å; I455-T555 HydrophobicContact CD1-CG2 4.3Å; I455-T555 HydrophobicContact CG2-CG2 4.49Å; H541-T555 CarbonylContact C-O 3.59Å; H541-T555 WeakPolarHBondContact CA-O 3.46Å; T542-T555 PolarHBondContact N-O 2.87Å; T542-T555 PolarHBondContact O-N 3.31Å; Y553-T555 HydrophobicContact CE1-CG2 4.38Å
556	I	91	Very high	88.1	Confident	40 Å²	40	58.2 Å²	58.2	21%	0.205	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121	175.6	-49.8	178.7	0	0	0	106.7	F445 Q446 H541	F445-I556 CarbonylContact C-O 3.57Å; F445-I556 VanDerWaalsContact CA-O 3.29Å; F445-I556 WeakPolarHBondContact CA-O 3.43Å; Q446-I556 HydrophobicContact CB-CB 4.3Å; Q446-I556 PolarHBondContact N-O 3Å; Q446-I556 PolarHBondContact O-N 2.85Å; H541-I556 WeakPolarHBondContact ND1-CG1 3.41Å
557	Q	88.1	Confident	87.8	Confident	10 Å²	10	61.9 Å²	61.9	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.2	175	177.4	-171.7	-35.5	0	0	107.9	T443 T444 F445 N539 V540	T443-Q557 HydrophobicContact CG2-CG 3.56Å; T444-Q557 WeakPolarHBondContact O-CA 3.42Å; F445-Q557 HydrophobicContact CD1-CB 3.98Å; F445-Q557 HydrophobicContact CD1-CG 4.15Å; F445-Q557 HydrophobicContact CE1-CB 3.77Å; F445-Q557 HydrophobicContact CE1-CG 3.57Å; F445-Q557 HydrophobicContact CZ-CG 3.89Å; N539-Q557 CarbonylContact C-O 3.55Å; N539-Q557 WeakPolarHBondContact CA-O 3.48Å; V540-Q557 HydrophobicContact CB-CB 4.31Å; V540-Q557 PolarHBondContact N-O 2.84Å; V540-Q557 PolarHBondContact O-N 3.46Å
558	A	83	Confident	87.8	Confident	33 Å²	33	56.7 Å²	56.7	27%	0.273	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.7	177.1	0	0	0	0	0	109.8	T444 S538	T444-A558 PolarHBondContact N-O 3.41Å; T444-A558 PolarHBondContact O-N 3.47Å; T444-A558 PolarHBondContact OG1-O 3.16Å; T444-A558 VanDerWaalsContact OG1-O 3.09Å; S538-A558 CarbonylContact O-C 3.57Å; S538-A558 WeakPolarHBondContact O-CA 3.2Å
559	C	72.5	Confident	87.7	Confident	94 Å²	94	49.4 Å²	49.4	64%	0.635	28%	0.282	S	S	*	.			trans	-90.1	0	174.1	-68.2	0	0	0	0	112.1	T443 S538	T443-C559 PolarHBondContact OG1-SG 3.34Å; T443-C559 VanDerWaalsContact OG1-SG 3.35Å; S538-C559 PolarHBondContact O-N 3.41Å

Retrieved 559 of 559 residues in 726.9 ms (Link to these results)

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