H9FYW3_MACMU Loading...

SRSF protein kinase 2

AlphaFold DB , UniProt , Accession H9FYW3, Species MACMU (Macaca mulatta, Rhesus macaque), Gene SRPK2, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.3	Very low	26.5	Very low	237 Å²	237	150.3 Å²	150.3	100%	1.167	81%	0.811	S	S	*	*				0	124.1	0	-58.8	-178.7	-170.4	0	0	106.6
2	S	28.8	Very low	26.9	Very low	110 Å²	110	158.5 Å²	158.5	77%	0.769	82%	0.821	S	S	*	*				52.9	125	81.9	-171.2	0	0	0	0	112.5
3	S	28.9	Very low	27.2	Very low	98 Å²	98	161.8 Å²	161.8	69%	0.685	83%	0.826	S	S	*	*			cis	-171.8	166	-1	-87.6	0	0	0	0	109
4	R	26.9	Very low	27.6	Very low	227 Å²	227	168.1 Å²	168.1	86%	0.857	83%	0.834	S	S	*	*			trans	158.6	147	144.6	-89.4	154.8	-169.3	-150.9	5.9	111.8
5	K	26.4	Very low	28	Very low	188 Å²	188	172.9 Å²	172.9	82%	0.817	84%	0.839	S	S	*	*			cis	-159	164	-14.5	-133.1	-179.2	-170.3	-176.7	0	111.9
6	V	26.3	Very low	29.5	Very low	128 Å²	128	168.7 Å²	168.7	78%	0.776	83%	0.829	S	S	*	*			trans	-86.6	143.5	179.2	173.9	0	0	0	0	113
7	L	22.8	Very low	29.5	Very low	167 Å²	167	170 Å²	170	87%	0.874	83%	0.829	S	S	*	*			trans	-143.2	179.8	149.1	-83.8	177.5	0	0	0	108.7
8	A	24.3	Very low	29.5	Very low	71 Å²	71	173.6 Å²	173.6	59%	0.587	83%	0.832	S	S	*	*				-158.2	-175.4	-87.2	0	0	0	0	0	109.4
9	I	24.3	Very low	29.5	Very low	153 Å²	153	173.4 Å²	173.4	79%	0.785	83%	0.83	S	S	*	*			trans	74	137.2	165.1	-61.2	169.2	0	0	0	113.6
10	Q	27.2	Very low	29.6	Very low	185 Å²	185	174.6 Å²	174.6	86%	0.864	83%	0.832	S	S	*	*			cis	-141.6	171.4	5.4	-144.9	161.3	67.7	0	0	112
11	A	26.4	Very low	29.8	Very low	89 Å²	89	175 Å²	175	74%	0.736	83%	0.833	S	S	*	*			trans	-119	154.2	-178.5	0	0	0	0	0	113.8
12	R	30.9	Very low	30.2	Very low	249 Å²	249	169.1 Å²	169.1	94%	0.94	81%	0.812	S	S	*	*			trans	-133.9	127.1	162.9	-79.1	-171.8	169	-179.1	-2.4	111.9
13	K	31.7	Very low	30.3	Very low	202 Å²	202	173.6 Å²	173.6	88%	0.878	82%	0.817	S	S	*	*			trans	-96.8	140.6	174.7	-71.9	171.7	175.2	167.5	0	111.1
14	R	32.3	Very low	30.5	Very low	250 Å²	250	177 Å²	177	94%	0.943	82%	0.82	S	S	*	*			trans	-135.1	167.1	139.6	-76.8	-160	167.8	-172.3	-3.5	109.7
15	R	33	Very low	31.1	Very low	240 Å²	240	171.8 Å²	171.8	91%	0.906	82%	0.816	S	S	*	*			trans	-141.9	177.4	-155.8	-124.8	-163.1	175.1	-177.9	-0.7	111.1
16	P	52.3	Low	31.5	Very low	105 Å²	105	169.4 Å²	169.4	68%	0.682	81%	0.808	S	S	*	*				-129.3	-176.1	-115.9	42.7	-25.4	0	0	0	114.8
17	K	29.3	Very low	32.3	Very low	191 Å²	191	168.9 Å²	168.9	83%	0.83	81%	0.806	S	S	*	*			trans	177.4	153	158.7	-99.5	150	-173.6	179.9	0	108.5
18	R	30.5	Very low	32.6	Very low	234 Å²	234	169 Å²	169	88%	0.883	80%	0.802	S	S	*	*			cis	-161.9	154.6	-15	-145	-179.7	-171	178.8	0.2	107.7
19	E	29.9	Very low	33.2	Very low	171 Å²	171	173.9 Å²	173.9	80%	0.799	81%	0.813	S	S	*	*			trans	-81.8	153.8	-179	-52.2	167.9	129.2	0	0	114.2
20	K	30	Very low	33.6	Very low	196 Å²	196	176.8 Å²	176.8	85%	0.852	82%	0.82	S	S	*	*				175.3	144.8	109.3	-93.8	176.3	-179.3	-172.5	0	113.7
21	H	34.3	Very low	34	Very low	184 Å²	184	172.5 Å²	172.5	85%	0.852	82%	0.816	S	S	*	*			trans	-82.8	169	170.3	-57.7	-85.3	0	0	0	112.2
22	P	37.7	Very low	34.8	Very low	113 Å²	113	173.9 Å²	173.9	73%	0.734	82%	0.818	S	S	*	*				-153.4	144.5	94.3	37.3	-18.3	0	0	0	119.3
23	K	30.2	Very low	35.2	Very low	204 Å²	204	170.4 Å²	170.4	89%	0.887	82%	0.817	S	S	*	*			trans	70.3	136.7	136.7	-67	179.8	176.2	-176.2	0	124.5
24	K	33.6	Very low	36.1	Very low	169 Å²	169	167.5 Å²	167.5	74%	0.735	82%	0.816	S	S	*	*			trans	-61.4	175.5	157.6	-105	-165.2	177.5	-146.7	0	112.9	E26	K24-E26 IonicContact NZ-OE2 2.79Å; K24-E26 PolarHBondContact NZ-OE2 3.43Å
25	P	39.3	Very low	37.2	Very low	118 Å²	118	160.7 Å²	160.7	77%	0.766	80%	0.804	S	S	*	*			cis	-142.7	-172.8	29.4	43.4	-23.1	0	0	0	118.2
26	E	35.5	Very low	38.5	Very low	139 Å²	139	154.8 Å²	154.8	65%	0.65	80%	0.797	S	S	*	*			trans	-83.1	169.8	170.6	-54.4	144.8	87.4	0	0	111.5	K24	K24-E26 IonicContact NZ-OE2 2.79Å; K24-E26 PolarHBondContact NZ-OE2 3.43Å
27	P	42.7	Very low	38.7	Very low	116 Å²	116	155.5 Å²	155.5	75%	0.753	80%	0.801	S	S	*	*				-153.8	144.9	87.8	38.8	-19.2	0	0	0	119.1
28	Q	30.2	Very low	40.2	Very low	169 Å²	169	152 Å²	152	79%	0.79	80%	0.798	S	S	*	*			trans	41.8	121.7	137.7	-64.9	-178.2	-14.3	0	0	124.5
29	Q	35.2	Very low	41.7	Very low	175 Å²	175	146.3 Å²	146.3	82%	0.818	79%	0.792	S	S	*	*			trans	65.3	115.8	131.3	-62.3	-176.3	4	0	0	122.8
30	K	33	Very low	43.4	Very low	213 Å²	213	143.6 Å²	143.6	93%	0.926	79%	0.789	S	S	*	*				-164.2	161.2	125.1	-109.4	170.7	-174.1	177.9	0	111.1
31	A	35.8	Very low	44.8	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	78%	0.784	S	S	*	*			trans	-142.7	177.6	-178.7	0	0	0	0	0	109.8
32	P	44	Very low	46.1	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	78%	0.779	S	S	*	*			cis	-119.5	164.3	-22.2	37.6	-25	0	0	0	112.5
33	L	38.9	Very low	47.3	Very low	176 Å²	176	136.5 Å²	136.5	92%	0.921	78%	0.779	S	S	*	*			trans	-139.6	140.2	164.8	-81	173.8	0	0	0	110.5
34	V	51.1	Low	48.6	Very low	141 Å²	141	132.3 Å²	132.3	86%	0.855	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-85.9	125.8	-176.5	179.1	0	0	0	0	110.3
35	P	55.4	Low	49.8	Very low	107 Å²	107	129.6 Å²	129.6	70%	0.695	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-82.6	156.3	173.2	33.6	-34	0	0	0	112.5
36	P	58.8	Low	50.5	Low	116 Å²	116	129.7 Å²	129.7	75%	0.753	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-71.2	165.4	176.3	31.2	-36.2	0	0	0	113
37	P	57	Low	51.1	Low	120 Å²	120	130.9 Å²	130.9	78%	0.779	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.3	154	-179.1	26.7	-36.1	0	0	0	113.6
38	P	61.8	Low	51.4	Low	117 Å²	117	131 Å²	131	76%	0.76	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-73.1	157.4	-179.9	31.4	-36.2	0	0	0	113
39	P	62	Low	52.5	Low	115 Å²	115	130 Å²	130	75%	0.747	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-68.9	160.5	170.7	31.3	-35.8	0	0	0	112
40	P	64.6	Low	52.8	Low	115 Å²	115	127.4 Å²	127.4	75%	0.747	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.9	154.2	178	28.1	-35.8	0	0	0	112.6
41	P	60.6	Low	53	Low	115 Å²	115	122.8 Å²	122.8	75%	0.747	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-69.1	154.3	-179.8	29.8	-35.8	0	0	0	112.5
42	P	60.9	Low	53.5	Low	114 Å²	114	123.3 Å²	123.3	74%	0.74	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-66.9	158.6	170.3	30.9	-35.5	0	0	0	111.4
43	P	63.1	Low	53.2	Low	114 Å²	114	123.7 Å²	123.7	74%	0.74	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-62.9	153.3	174.5	28.2	-35.5	0	0	0	111.6
44	P	57.2	Low	53	Low	116 Å²	116	123.3 Å²	123.3	75%	0.753	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-63.7	152.6	176.9	28.3	-35.3	0	0	0	111.5
45	P	58.9	Low	52.2	Low	112 Å²	112	122.3 Å²	122.3	73%	0.727	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-63.5	155.7	171.3	29.8	-35.3	0	0	0	110.8
46	P	54.8	Low	51.2	Low	121 Å²	121	126.2 Å²	126.2	79%	0.786	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.7	146.4	170.8	27.7	-34.6	0	0	0	110.5
47	L	46.7	Very low	49.9	Very low	164 Å²	164	129.5 Å²	129.5	86%	0.859	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-59.5	143.2	171.4	-66.1	168.4	0	0	0	109.7
48	P	48.5	Very low	48.8	Very low	118 Å²	118	132.3 Å²	132.3	77%	0.766	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-64	148.8	169.5	29.3	-34.2	0	0	0	110
49	D	53.7	Low	47.4	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.4	147.1	167.7	-70.8	-61.2	0	0	0	110.2	T51	D49-T51 PolarHBondContact O-N 3.39Å; D49-T51 VanDerWaalsContact O-N 3.13Å
50	P	41.3	Very low	46.1	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-58.5	122.3	177.4	25.2	-33.8	0	0	0	109.5
51	T	38.9	Very low	44.7	Very low	115 Å²	115	131.2 Å²	131.2	71%	0.706	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-56.9	145.8	171.7	37.7	0	0	0	0	109.5	D49	D49-T51 PolarHBondContact O-N 3.39Å; D49-T51 VanDerWaalsContact O-N 3.13Å
52	P	45.9	Very low	43.5	Very low	107 Å²	107	128.9 Å²	128.9	70%	0.695	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-51.5	148.8	159.9	-19.7	32.1	0	0	0	108.8	E54	P52-E54 PolarHBondContact O-N 2.62Å; P52-E54 VanDerWaalsContact O-N 3.1Å
53	P	37.8	Very low	42.8	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-53.9	124.9	170.3	25	-33.3	0	0	0	108.1
54	E	33.9	Very low	42.2	Very low	168 Å²	168	124.7 Å²	124.7	79%	0.785	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-59.5	143.7	170.9	-66.1	-177.9	129.4	0	0	107.7	P52 E56	P52-E54 PolarHBondContact O-N 2.62Å; P52-E54 VanDerWaalsContact O-N 3.1Å; E54-E56 PolarHBondContact O-N 3.09Å
55	P	34.2	Very low	42	Very low	120 Å²	120	126.3 Å²	126.3	78%	0.779	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-56.5	134.5	172.9	26.4	-33.6	0	0	0	108.2	E57	P55-E57 PolarHBondContact O-N 3.39Å
56	E	34.3	Very low	42.4	Very low	189 Å²	189	126.8 Å²	126.8	88%	0.883	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-47.7	126.5	179	-63.5	172.9	172.1	0	0	109.2	E54 E58	E54-E56 PolarHBondContact O-N 3.09Å; E56-E58 PolarHBondContact O-N 3.43Å; E56-E58 VanDerWaalsContact O-N 3.16Å
57	E	32.5	Very low	43.6	Very low	185 Å²	185	123 Å²	123	86%	0.864	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.8	-174.5	-73.8	-167.1	134	0	0	109.9	P55 I59	P55-E57 PolarHBondContact O-N 3.39Å; E57-I59 PolarHBondContact O-N 3.04Å
58	E	33.3	Very low	45.4	Very low	179 Å²	179	115.3 Å²	115.3	84%	0.836	64%	0.636	S	S	*	*			trans	-64.7	99.8	-167.2	-163.2	163.8	-125.9	0	0	109.7	E56 L60	E56-E58 PolarHBondContact O-N 3.43Å; E56-E58 VanDerWaalsContact O-N 3.16Å; E58-L60 PolarHBondContact O-N 3.5Å
59	I	33	Very low	47.2	Very low	119 Å²	119	114.3 Å²	114.3	61%	0.61	62%	0.624	S	S	*	*			trans	-55.3	121.3	-166	-59.2	176.1	0	0	0	110	E57 G61	E57-I59 PolarHBondContact O-N 3.04Å; I59-G61 PolarHBondContact O-N 2.98Å
60	L	33.9	Very low	48.8	Very low	151 Å²	151	111 Å²	111	79%	0.791	61%	0.611	S	S	*	*	S	Bend	trans	-53.5	115	-178	-109.4	75.3	0	0	0	111	E58 I188	E58-L60 PolarHBondContact O-N 3.5Å; L60-I188 WeakPolarHBondContact O-CG2 3.45Å
61	G	34.6	Very low	51.1	Low	53 Å²	53	108.4 Å²	108.4	55%	0.546	60%	0.599	S	S	.	*			trans	94.2	49.9	176.6	0	0	0	0	0	115.1	I59 D63	I59-G61 PolarHBondContact O-N 2.98Å; G61-D63 PolarHBondContact O-N 3.38Å
62	S	37	Very low	53.6	Low	67 Å²	67	105.2 Å²	105.2	47%	0.469	58%	0.578	S	S	.	*			trans	-72.1	73.7	163.1	54.8	0	0	0	0	111.9	D64 E65	S62-D64 PolarHBondContact O-N 3.16Å; S62-E65 PolarHBondContact O-N 2.83Å; S62-E65 VanDerWaalsContact O-N 3.07Å
63	D	45.4	Very low	55.8	Low	82 Å²	82	101.2 Å²	101.2	44%	0.439	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-46	-18.2	165.7	154.6	77.7	0	0	0	113.7	G61 E65 E66 K185	G61-D63 PolarHBondContact O-N 3.38Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-E65 VanDerWaalsContact O-N 3.11Å; D63-E66 PolarHBondContact O-N 2.93Å; D63-K185 IonicContact OD2-NZ 3.72Å; D63-K185 PolarHBondContact OD2-NZ 2.85Å
64	D	51.3	Low	58.5	Low	58 Å²	58	98.3 Å²	98.3	31%	0.31	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-64.1	-5.3	172.3	-64.6	-61.5	0	0	0	115.8	S62 K185 S258 G259 S260	S62-D64 PolarHBondContact O-N 3.16Å; D64-K185 IonicContact OD1-NZ 3.06Å; D64-K185 PolarHBondContact OD1-NZ 2.85Å; D64-K185 VanDerWaalsContact OD2-CE 3.28Å; D64-K185 WeakPolarHBondContact OD2-CE 3.4Å; D64-K185 IonicContact OD2-NZ 2.75Å; D64-K185 PolarHBondContact OD2-NZ 2.95Å; D64-S258 PolarHBondContact O-OG 3.04Å; D64-G259 PolarHBondContact O-N 3.17Å; D64-G259 VanDerWaalsContact O-N 3.09Å; D64-S260 WeakPolarHBondContact O-CB 3.4Å; D64-S260 PolarHBondContact O-N 3.29Å
65	E	52.3	Low	61.3	Low	149 Å²	149	99.4 Å²	99.4	70%	0.696	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-103.1	-24	169.8	-65.7	-133.3	131.7	0	0	115.2	S62 D63	S62-E65 PolarHBondContact O-N 2.83Å; S62-E65 VanDerWaalsContact O-N 3.07Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-E65 VanDerWaalsContact O-N 3.11Å
66	E	68.3	Low	64.2	Low	123 Å²	123	94.5 Å²	94.5	58%	0.575	50%	0.504	S	S	*	.			trans	-76.1	143.6	-171.1	-150.6	178.7	151	0	0	112.7	D63 W99	D63-E66 PolarHBondContact O-N 2.93Å; E66-W99 HydrophobicContact CG-CZ2 4.17Å; E66-W99 PolarHBondContact O-NE1 3.38Å
67	Q	79.1	Confident	67.1	Low	41 Å²	41	85.6 Å²	85.6	19%	0.192	46%	0.464	C	S	.	.			trans	-143.7	145.8	-169	-78	-81.8	12.6	0	0	110.1	W99 G259 V262 T264	Q67-W99 VanDerWaalsContact C-CZ2 3.42Å; Q67-G259 PolarHBondContact NE2-O 3.1Å; Q67-V262 PolarHBondContact NE2-O 2.95Å; Q67-V262 VanDerWaalsContact NE2-O 3.11Å; Q67-T264 HydrophobicContact CB-CG2 3.94Å; Q67-T264 HydrophobicContact CG-CG2 3.7Å; Q67-T264 PolarHBondContact OE1-OG1 3.16Å
68	E	85	Confident	70.1	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.009	42%	0.423	C	S	.	.			trans	-58.4	146.8	-179.3	60.2	-84.5	-161.9	0	0	113.4	P70 Y73 Y78 K96 W99 T264	E68-P70 VanDerWaalsContact O-CD 3.28Å; E68-P70 WeakPolarHBondContact O-CD 3.24Å; E68-Y73 HydrophobicContact CG-CE2 3.77Å; E68-Y73 PolarHBondContact OE1-OH 2.87Å; E68-Y78 HydrophobicContact CB-CD2 4.23Å; E68-Y78 HydrophobicContact CB-CE2 3.5Å; E68-Y78 HydrophobicContact CG-CD2 3.92Å; E68-Y78 HydrophobicContact CG-CE2 3.72Å; E68-K96 IonicContact OE1-NZ 2.79Å; E68-K96 PolarHBondContact OE1-NZ 3.48Å; E68-K96 IonicContact OE2-NZ 3.76Å; E68-K96 PolarHBondContact OE2-NZ 3.01Å; E68-W99 HydrophobicContact CB-CD2 3.95Å; E68-W99 HydrophobicContact CB-CE3 3.58Å; E68-W99 HydrophobicContact CB-CH2 4.47Å; E68-W99 HydrophobicContact CB-CZ3 3.87Å; E68-T264 PolarHBondContact OE1-OG1 3.23Å
69	D	85.1	Confident	73.1	Confident	97 Å²	97	69.3 Å²	69.3	52%	0.519	39%	0.387	S	S	.	.			trans	-56	121.2	175.5	-173.1	-15.3	0	0	0	110.5	A71 D72	D69-A71 PolarHBondContact O-N 3.15Å; D69-A71 VanDerWaalsContact OD1-CB 3.26Å; D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 3.27Å; D69-D72 WeakPolarHBondContact O-CB 3.5Å; D69-D72 PolarHBondContact O-N 2.89Å
70	P	87.8	Confident	75.9	Confident	80 Å²	80	64.4 Å²	64.4	52%	0.519	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-54.9	-19.7	173.5	-28	37.4	0	0	0	114.8	E68 Y73 P266	E68-P70 VanDerWaalsContact O-CD 3.28Å; E68-P70 WeakPolarHBondContact O-CD 3.24Å; P70-Y73 PolarHBondContact O-N 3.23Å; P70-P266 HydrophobicContact CB-CG 4.3Å
71	A	88.6	Confident	78.7	Confident	66 Å²	66	57.2 Å²	57.2	55%	0.545	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-70.8	-28.1	173.9	0	0	0	0	0	113.7	D69 Y73 C74	D69-A71 PolarHBondContact O-N 3.15Å; D69-A71 VanDerWaalsContact OD1-CB 3.26Å; D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 3.27Å; A71-Y73 PolarHBondContact O-N 2.63Å; A71-Y73 VanDerWaalsContact O-N 3.14Å; A71-C74 PolarHBondContact O-SG 2.69Å; A71-C74 VanDerWaalsContact O-SG 3.35Å
72	D	92.3	Very high	81.3	Confident	47 Å²	47	57.9 Å²	57.9	25%	0.251	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-68.7	-5.9	175.4	-101.8	-30.4	0	0	0	112.7	D69 C74 G77 Y78 K123	D69-D72 WeakPolarHBondContact O-CB 3.5Å; D69-D72 PolarHBondContact O-N 2.89Å; D72-C74 PolarHBondContact O-N 3.48Å; D72-G77 CarbonylContact O-C 3.25Å; D72-G77 WeakPolarHBondContact O-CA 3.44Å; D72-Y78 HydrophobicContact CB-CD2 3.43Å; D72-Y78 VanDerWaalsContact CB-CD2 3.43Å; D72-Y78 HydrophobicContact CB-CE2 3.36Å; D72-Y78 PolarHBondContact O-N 3.04Å; D72-Y78 WeakPolarHBondContact OD2-CE2 3.47Å; D72-K123 IonicContact OD1-NZ 2.78Å; D72-K123 PolarHBondContact OD1-NZ 3.46Å; D72-K123 WeakPolarHBondContact OD2-CE 3.35Å; D72-K123 IonicContact OD2-NZ 2.69Å; D72-K123 PolarHBondContact OD2-NZ 3.21Å
73	Y	92.8	Very high	83.7	Confident	24 Å²	24	57.1 Å²	57.1	9%	0.094	30%	0.304	C	S	.	.	S	Bend	trans	-80.7	35.9	172.3	-77.9	-81.1	0	0	0	113.5	E68 P70 A71 Y78 H79 P80 N168 A265 P266	E68-Y73 HydrophobicContact CG-CE2 3.77Å; E68-Y73 PolarHBondContact OE1-OH 2.87Å; P70-Y73 PolarHBondContact O-N 3.23Å; A71-Y73 PolarHBondContact O-N 2.63Å; A71-Y73 VanDerWaalsContact O-N 3.14Å; Y73-Y78 HydrophobicContact CE2-CD2 4.39Å; Y73-H79 WeakPolarHBondContact CE1-O 3.35Å; Y73-P80 HydrophobicContact CD1-CB 4.22Å; Y73-P80 HydrophobicContact CE1-CB 4.31Å; Y73-N168 PolarHBondContact O-ND2 3.36Å; Y73-A265 HydrophobicContact CD1-CB 4.28Å; Y73-A265 HydrophobicContact CE1-CB 3.65Å; Y73-A265 HydrophobicContact CE2-CB 4.32Å; Y73-P266 VanDerWaalsContact CD2-CD 3.4Å; Y73-P266 HydrophobicContact CD2-CG 4.23Å; Y73-P266 VanDerWaalsContact CG-CD 3.49Å; Y73-P266 HydrophobicContact CG-CG 4.3Å
74	C	92.9	Very high	85.5	Confident	64 Å²	64	53.7 Å²	53.7	43%	0.432	29%	0.288	S	S	.	.	S	Bend	trans	-104.7	179.1	179.1	62.4	0	0	0	0	112.8	A71 D72 G76 G77 N168	A71-C74 PolarHBondContact O-SG 2.69Å; A71-C74 VanDerWaalsContact O-SG 3.35Å; D72-C74 PolarHBondContact O-N 3.48Å; C74-G76 PolarHBondContact O-N 3.17Å; C74-G77 WeakPolarHBondContact O-CA 3.39Å; C74-G77 PolarHBondContact O-N 3.01Å; C74-N168 VanDerWaalsContact C-CG 3.43Å; C74-N168 VanDerWaalsContact O-CB 3.24Å; C74-N168 WeakPolarHBondContact O-CB 3.25Å; C74-N168 PolarHBondContact O-ND2 2.94Å; C74-N168 PolarHBondContact O-OD1 3.43Å
75	K	94.3	Very high	87.3	Confident	191 Å²	191	52.8 Å²	52.8	83%	0.83	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	125.5	178.4	-176.6	-174.6	175	-172.9	0	110.6	G77	K75-G77 VanDerWaalsContact C-N 3.29Å
76	G	94.1	Very high	89.2	Confident	17 Å²	17	49.1 Å²	49.1	18%	0.175	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-11.8	-170.9	0	0	0	0	0	114.5	C74 S124 A125 N168	C74-G76 PolarHBondContact O-N 3.17Å; G76-S124 VanDerWaalsContact C-OG 3.29Å; G76-S124 VanDerWaalsContact CA-OG 3.22Å; G76-S124 WeakPolarHBondContact CA-OG 3.21Å; G76-S124 PolarHBondContact N-OG 2.75Å; G76-S124 CarbonylContact O-C 3.58Å; G76-S124 PolarHBondContact O-N 2.9Å; G76-S124 VanDerWaalsContact O-N 3.12Å; G76-A125 WeakPolarHBondContact O-CB 3.23Å; G76-A125 PolarHBondContact O-N 2.97Å; G76-N168 PolarHBondContact N-O 2.75Å
77	G	95.1	Very high	90.4	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	-91.4	-151.2	179.8	0	0	0	0	0	114.2	D72 C74 K75 K123 S124 H171	D72-G77 CarbonylContact O-C 3.25Å; D72-G77 WeakPolarHBondContact O-CA 3.44Å; C74-G77 WeakPolarHBondContact O-CA 3.39Å; C74-G77 PolarHBondContact O-N 3.01Å; K75-G77 VanDerWaalsContact C-N 3.29Å; G77-K123 VanDerWaalsContact O-CA 3.29Å; G77-K123 WeakPolarHBondContact O-CA 3.29Å; G77-S124 PolarHBondContact O-N 3.2Å; G77-S124 PolarHBondContact O-OG 3.4Å; G77-H171 PolarHBondContact O-CE1 2.81Å
78	Y	96.1	Very high	91.1	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.259	C	S	.	.			trans	-68.9	159.1	-173.6	-65	-62.7	0	0	0	113.8	E68 D72 Y73 G100 T104 K123 N168	E68-Y78 HydrophobicContact CB-CD2 4.23Å; E68-Y78 HydrophobicContact CB-CE2 3.5Å; E68-Y78 HydrophobicContact CG-CD2 3.92Å; E68-Y78 HydrophobicContact CG-CE2 3.72Å; D72-Y78 HydrophobicContact CB-CD2 3.43Å; D72-Y78 VanDerWaalsContact CB-CD2 3.43Å; D72-Y78 HydrophobicContact CB-CE2 3.36Å; D72-Y78 PolarHBondContact O-N 3.04Å; D72-Y78 WeakPolarHBondContact OD2-CE2 3.47Å; Y73-Y78 HydrophobicContact CE2-CD2 4.39Å; Y78-G100 PolarHBondContact OH-O 3.39Å; Y78-G100 VanDerWaalsContact OH-O 3.08Å; Y78-T104 HydrophobicContact CD1-CG2 3.98Å; Y78-T104 HydrophobicContact CE1-CG2 4.17Å; Y78-K123 HydrophobicContact CD1-CD 4.35Å; Y78-K123 HydrophobicContact CD1-CG 3.61Å; Y78-K123 HydrophobicContact CE1-CD 4.18Å; Y78-K123 HydrophobicContact CE1-CG 3.81Å; Y78-K123 HydrophobicContact CG-CG 4.19Å; Y78-N168 PolarHBondContact O-ND2 2.75Å
79	H	95.3	Very high	91.4	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.093	28%	0.284	C	S	.	.			trans	-88.7	131.1	169	-164.3	83.3	0	0	0	111.4	Y73 V81 V121 I164 H171	Y73-H79 WeakPolarHBondContact CE1-O 3.35Å; H79-V81 VanDerWaalsContact C-N 3.29Å; H79-V81 HydrophobicContact CB-CG2 4.4Å; H79-V81 PolarHBondContact O-N 3.02Å; H79-V121 HydrophobicContact CB-CG1 3.78Å; H79-I164 HydrophobicContact CB-CD1 4.33Å; H79-H171 AromaticContact CG-CD2 3.94Å; H79-H171 AromaticContact CG-NE2 3.86Å; H79-H171 PolarHBondContact N-CE1 3.3Å; H79-H171 AromaticContact ND1-CD2 3.18Å; H79-H171 PolarHBondContact ND1-CD2 2.97Å; H79-H171 AromaticContact ND1-CE1 3.95Å; H79-H171 AromaticContact ND1-CG 3.93Å; H79-H171 AromaticContact ND1-NE2 3.16Å; H79-H171 PolarHBondContact ND1-NE2 3.24Å; H79-H171 VanDerWaalsContact ND1-NE2 3.16Å
80	P	93.6	Very high	91.8	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.104	27%	0.267	C	S	.	.			trans	-76.1	73.8	177.6	32.1	-36.2	0	0	0	112.8	Y73 M167 A265	Y73-P80 HydrophobicContact CD1-CB 4.22Å; Y73-P80 HydrophobicContact CE1-CB 4.31Å; P80-M167 HydrophobicContact CG-SD 4.43Å; P80-A265 HydrophobicContact CB-CB 3.85Å
81	V	92.3	Very high	92.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.			trans	-69.5	138.7	175.2	176.7	0	0	0	0	111.1	H79 F87 V93 W106 V121 S263	H79-V81 VanDerWaalsContact C-N 3.29Å; H79-V81 HydrophobicContact CB-CG2 4.4Å; H79-V81 PolarHBondContact O-N 3.02Å; V81-F87 HydrophobicContact CG1-CE2 4.11Å; V81-F87 HydrophobicContact CG2-CE2 4.46Å; V81-F87 HydrophobicContact CG2-CZ 4.21Å; V81-V93 HydrophobicContact CG1-CG1 4.12Å; V81-V93 HydrophobicContact CG1-CG2 4.07Å; V81-W106 HydrophobicContact CB-CD2 4.23Å; V81-W106 HydrophobicContact CB-CH2 4.26Å; V81-W106 HydrophobicContact CB-CZ2 3.7Å; V81-W106 HydrophobicContact CG1-CD2 3.6Å; V81-W106 HydrophobicContact CG1-CE3 3.93Å; V81-W106 HydrophobicContact CG1-CG 4.08Å; V81-W106 HydrophobicContact CG1-CH2 4.25Å; V81-W106 HydrophobicContact CG1-CZ2 3.95Å; V81-W106 HydrophobicContact CG1-CZ3 4.23Å; V81-V121 HydrophobicContact CG2-CG2 4.35Å; V81-S263 WeakPolarHBondContact O-CB 3.41Å; V81-S263 PolarHBondContact O-OG 3Å
82	K	89.1	Confident	92.3	Very high	68 Å²	68	39.9 Å²	39.9	30%	0.296	22%	0.218	S	C	.	.			trans	-125.1	152.6	175.8	-60.3	168.8	-172.9	170.7	0	111.6	D85	K82-D85 WeakPolarHBondContact CB-OD2 3.19Å; K82-D85 PolarHBondContact N-OD2 3.25Å; K82-D85 WeakPolarHBondContact O-CB 3.26Å; K82-D85 PolarHBondContact O-N 2.91Å
83	I	86.2	Confident	92.3	Very high	51 Å²	51	37.7 Å²	37.7	26%	0.262	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	136.4	172.7	-49.9	-50.3	0	0	0	109.4	D85 V93 I94 W106 Q250	I83-D85 VanDerWaalsContact C-N 3.34Å; I83-V93 HydrophobicContact CD1-CG1 3.92Å; I83-I94 WeakPolarHBondContact CG2-O 3.46Å; I83-W106 HydrophobicContact CD1-CE3 4.11Å; I83-W106 HydrophobicContact CD1-CZ3 3.76Å; I83-Q250 VanDerWaalsContact CG2-OE1 3.25Å
84	G	84.3	Confident	92.2	Very high	10 Å²	10	37.1 Å²	37.1	10%	0.103	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	2.8	-174.4	0	0	0	0	0	115.3	H92 V93 Q289	G84-H92 PolarHBondContact O-CE1 3.06Å; G84-V93 PolarHBondContact N-O 3.39Å; G84-Q289 PolarHBondContact O-NE2 2.9Å
85	D	88.9	Confident	92	Very high	38 Å²	38	36.3 Å²	36.3	20%	0.203	19%	0.192	C	C	.	.			trans	-68.3	163.2	167.2	-77.7	-30.1	0	0	0	111.6	K82 I83 F87 H92 V93	K82-D85 WeakPolarHBondContact CB-OD2 3.19Å; K82-D85 PolarHBondContact N-OD2 3.25Å; K82-D85 WeakPolarHBondContact O-CB 3.26Å; K82-D85 PolarHBondContact O-N 2.91Å; I83-D85 VanDerWaalsContact C-N 3.34Å; D85-F87 HydrophobicContact CB-CD2 4.38Å; D85-F87 HydrophobicContact CB-CE2 3.75Å; D85-F87 HydrophobicContact CB-CZ 4.31Å; D85-H92 WeakPolarHBondContact O-CA 3.45Å; D85-H92 PolarHBondContact O-ND1 2.84Å; D85-V93 HydrophobicContact CB-CG2 4.27Å; D85-V93 PolarHBondContact O-N 2.99Å; D85-V93 VanDerWaalsContact O-N 3.09Å
86	L	91.8	Very high	91.8	Very high	73 Å²	73	27.2 Å²	27.2	38%	0.382	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	109.9	-178.9	179.5	65.8	0	0	0	109.5	Y91 H92 M111	L86-Y91 CarbonylContact C-O 3.52Å; L86-Y91 WeakPolarHBondContact CA-O 3.32Å; L86-H92 HydrophobicContact CD1-CB 4.3Å; L86-M111 HydrophobicContact CD1-CE 4.41Å; L86-M111 HydrophobicContact CD1-SD 4.02Å
87	F	94.3	Very high	91.7	Very high	23 Å²	23	28.7 Å²	28.7	10%	0.101	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	147.2	-178.9	-69.3	-79.4	0	0	0	111.8	V81 D85 G89 R90 Y91 V93 M119 F162 I164	V81-F87 HydrophobicContact CG1-CE2 4.11Å; V81-F87 HydrophobicContact CG2-CE2 4.46Å; V81-F87 HydrophobicContact CG2-CZ 4.21Å; D85-F87 HydrophobicContact CB-CD2 4.38Å; D85-F87 HydrophobicContact CB-CE2 3.75Å; D85-F87 HydrophobicContact CB-CZ 4.31Å; F87-G89 PolarHBondContact O-N 2.85Å; F87-R90 PolarHBondContact O-N 2.92Å; F87-Y91 PolarHBondContact N-O 2.76Å; F87-Y91 PolarHBondContact O-N 2.71Å; F87-V93 HydrophobicContact CD2-CG2 3.83Å; F87-V93 HydrophobicContact CE2-CG2 3.78Å; F87-M119 HydrophobicContact CB-SD 4.14Å; F87-M119 HydrophobicContact CD2-CE 3.65Å; F87-M119 HydrophobicContact CD2-SD 4.25Å; F87-M119 HydrophobicContact CE2-CE 4.05Å; F87-M119 HydrophobicContact CG-CE 4.23Å; F87-M119 HydrophobicContact CG-SD 4.34Å; F87-F162 HydrophobicContact CB-CE2 4.01Å; F87-F162 HydrophobicContact CB-CZ 3.96Å; F87-I164 HydrophobicContact CD1-CD1 4.22Å; F87-I164 HydrophobicContact CD1-CG2 3.82Å; F87-I164 HydrophobicContact CE1-CD1 3.74Å; F87-I164 HydrophobicContact CE1-CG2 4.31Å
88	N	93.9	Very high	91.3	Very high	91 Å²	91	29.6 Å²	29.6	49%	0.487	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	24.2	-174.3	-153.4	17.7	0	0	0	115	R90 Y91 F162	N88-R90 PolarHBondContact O-N 3.21Å; N88-Y91 HydrophobicContact CB-CD2 4.26Å; N88-F162 HydrophobicContact CB-CD1 4.02Å; N88-F162 HydrophobicContact CB-CD2 4.09Å; N88-F162 HydrophobicContact CB-CE1 4.04Å; N88-F162 HydrophobicContact CB-CE2 4.12Å; N88-F162 HydrophobicContact CB-CG 4.05Å; N88-F162 HydrophobicContact CB-CZ 4.1Å
89	G	89.9	Confident	91.1	Very high	52 Å²	52	33.4 Å²	33.4	54%	0.536	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	4.5	-170.8	0	0	0	0	0	115.5	F87 M111	F87-G89 PolarHBondContact O-N 2.85Å; G89-M111 WeakPolarHBondContact O-CE 3.47Å
90	R	94.1	Very high	90.6	Very high	43 Å²	43	33.8 Å²	33.8	16%	0.162	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-40	-162.1	177.9	176.6	178.5	-172.9	5.3	113.5	F87 N88 D110 M111 Q112 D160	F87-R90 PolarHBondContact O-N 2.92Å; N88-R90 PolarHBondContact O-N 3.21Å; R90-D110 WeakPolarHBondContact CG-OD1 3.28Å; R90-D110 IonicContact CZ-OD1 4Å; R90-D110 IonicContact CZ-OD2 3.11Å; R90-D110 VanDerWaalsContact NE-CG 3.33Å; R90-D110 IonicContact NE-OD1 2.84Å; R90-D110 PolarHBondContact NE-OD1 3.04Å; R90-D110 IonicContact NE-OD2 2.72Å; R90-D110 PolarHBondContact NE-OD2 3.1Å; R90-D110 IonicContact NH2-OD1 3.7Å; R90-D110 IonicContact NH2-OD2 2.75Å; R90-D110 PolarHBondContact NH2-OD2 3.38Å; R90-M111 WeakPolarHBondContact O-CB 3.46Å; R90-M111 WeakPolarHBondContact O-CG 3.46Å; R90-M111 PolarHBondContact O-N 2.94Å; R90-Q112 HydrophobicContact CG-CB 4.42Å; R90-Q112 HydrophobicContact CG-CG 4.04Å; R90-D160 IonicContact CZ-OD2 3.79Å; R90-D160 IonicContact NH1-OD2 2.69Å; R90-D160 PolarHBondContact NH1-OD2 3.43Å
91	Y	96.3	Very high	90.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.1	-168.9	-62.5	-65.4	0	0	0	112.1	L86 F87 N88 W109 D110 V117 D160 F162 V175	L86-Y91 CarbonylContact C-O 3.52Å; L86-Y91 WeakPolarHBondContact CA-O 3.32Å; F87-Y91 PolarHBondContact N-O 2.76Å; F87-Y91 PolarHBondContact O-N 2.71Å; N88-Y91 HydrophobicContact CB-CD2 4.26Å; Y91-W109 WeakPolarHBondContact CA-O 3.44Å; Y91-D110 HydrophobicContact CD1-CB 4.14Å; Y91-D110 HydrophobicContact CE1-CB 3.82Å; Y91-V117 HydrophobicContact CD1-CG2 3.68Å; Y91-V117 HydrophobicContact CE1-CG2 3.81Å; Y91-D160 HydrophobicContact CE2-CB 4.33Å; Y91-D160 WeakPolarHBondContact CE2-OD2 3.29Å; Y91-D160 WeakPolarHBondContact OH-CB 3.44Å; Y91-D160 PolarHBondContact OH-OD2 3.44Å; Y91-D160 VanDerWaalsContact OH-OD2 3.04Å; Y91-F162 AromaticContact CD2-CE1 3.61Å; Y91-F162 HydrophobicContact CD2-CE1 3.61Å; Y91-F162 AromaticContact CD2-CZ 3.99Å; Y91-F162 HydrophobicContact CD2-CZ 3.99Å; Y91-F162 HydrophobicContact CE2-CD1 4.36Å; Y91-F162 AromaticContact CE2-CE1 3.68Å; Y91-F162 HydrophobicContact CE2-CE1 3.68Å; Y91-F162 HydrophobicContact CE2-CZ 4.5Å; Y91-V175 HydrophobicContact CD1-CG1 4.44Å; Y91-V175 HydrophobicContact CD2-CG2 4.23Å; Y91-V175 HydrophobicContact CE1-CG1 3.79Å; Y91-V175 HydrophobicContact CE1-CG2 4.34Å; Y91-V175 HydrophobicContact CE2-CG2 3.8Å
92	H	90.9	Very high	90.3	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.9	-176.9	-171.7	47.7	0	0	0	111.7	G84 D85 L86 C108 W109	G84-H92 PolarHBondContact O-CE1 3.06Å; D85-H92 WeakPolarHBondContact O-CA 3.45Å; D85-H92 PolarHBondContact O-ND1 2.84Å; L86-H92 HydrophobicContact CD1-CB 4.3Å; H92-C108 CarbonylContact O-C 3.58Å; H92-C108 WeakPolarHBondContact O-CA 3.33Å; H92-W109 HydrophobicContact CB-CB 4.47Å; H92-W109 PolarHBondContact N-O 3.17Å; H92-W109 PolarHBondContact O-N 2.83Å
93	V	92.8	Very high	90.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.6	-172.2	-175.2	0	0	0	0	111.9	V81 I83 G84 D85 F87 W106 M119	V81-V93 HydrophobicContact CG1-CG1 4.12Å; V81-V93 HydrophobicContact CG1-CG2 4.07Å; I83-V93 HydrophobicContact CD1-CG1 3.92Å; G84-V93 PolarHBondContact N-O 3.39Å; D85-V93 HydrophobicContact CB-CG2 4.27Å; D85-V93 PolarHBondContact O-N 2.99Å; D85-V93 VanDerWaalsContact O-N 3.09Å; F87-V93 HydrophobicContact CD2-CG2 3.83Å; F87-V93 HydrophobicContact CE2-CG2 3.78Å; V93-W106 HydrophobicContact CG1-CB 4.32Å; V93-W106 HydrophobicContact CG1-CD2 4.29Å; V93-W106 HydrophobicContact CG1-CE3 3.69Å; V93-W106 HydrophobicContact CG1-CZ3 4.47Å; V93-M119 HydrophobicContact CG2-CE 4.19Å
94	I	89.3	Confident	91	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.062	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-49.6	-177	-63.3	158.1	0	0	0	112.6	I83 L107 W109 F116 A243 A246 Q250	I83-I94 WeakPolarHBondContact CG2-O 3.46Å; I94-L107 HydrophobicContact CB-CD2 4.3Å; I94-L107 HydrophobicContact CB-CG 4.44Å; I94-L107 HydrophobicContact CD1-CD2 4.38Å; I94-L107 HydrophobicContact CD1-CG 4.32Å; I94-L107 HydrophobicContact CG2-CD2 4.18Å; I94-L107 PolarHBondContact N-O 2.93Å; I94-W109 HydrophobicContact CD1-CB 4Å; I94-F116 HydrophobicContact CD1-CD1 3.74Å; I94-F116 HydrophobicContact CD1-CE1 3.59Å; I94-A243 HydrophobicContact CD1-CB 4.33Å; I94-A243 HydrophobicContact CG2-CB 4.17Å; I94-A246 HydrophobicContact CG2-CB 4.14Å; I94-Q250 PolarHBondContact O-NE2 3.19Å; I94-Q250 VanDerWaalsContact O-NE2 3.09Å
95	R	89.1	Confident	91.6	Very high	47 Å²	47	38.7 Å²	38.7	18%	0.177	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.9	177.8	59.7	172.3	-108.8	176.2	-9.4	111	L107 M242 A246	R95-L107 HydrophobicContact CG-CB 3.7Å; R95-L107 HydrophobicContact CG-CD2 3.82Å; R95-L107 HydrophobicContact CG-CG 4.41Å; R95-L107 PolarHBondContact O-N 3.37Å; R95-M242 VanDerWaalsContact CZ-CG 3.44Å; R95-M242 PolarHBondContact NE-SD 3.38Å; R95-A246 HydrophobicContact CB-CB 4.01Å; R95-A246 HydrophobicContact CG-CB 4.24Å
96	K	91.3	Very high	91.9	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	151.1	164.6	-164.3	164.3	163.4	-178.4	0	109.5	E68 W106 S260 A261	E68-K96 IonicContact OE1-NZ 2.79Å; E68-K96 PolarHBondContact OE1-NZ 3.48Å; E68-K96 IonicContact OE2-NZ 3.76Å; E68-K96 PolarHBondContact OE2-NZ 3.01Å; K96-W106 HydrophobicContact CB-CE3 3.9Å; K96-W106 HydrophobicContact CB-CH2 4.09Å; K96-W106 HydrophobicContact CB-CZ3 3.66Å; K96-W106 HydrophobicContact CD-CH2 3.84Å; K96-W106 HydrophobicContact CD-CZ2 4.05Å; K96-W106 HydrophobicContact CD-CZ3 4.3Å; K96-W106 HydrophobicContact CG-CD2 4.48Å; K96-W106 HydrophobicContact CG-CE3 4.31Å; K96-W106 HydrophobicContact CG-CH2 4.1Å; K96-W106 HydrophobicContact CG-CZ2 4.28Å; K96-W106 HydrophobicContact CG-CZ3 4.13Å; K96-S260 WeakPolarHBondContact CD-O 3.42Å; K96-A261 WeakPolarHBondContact CB-O 3.36Å; K96-A261 PolarHBondContact N-O 3Å
97	L	90.3	Very high	92.1	Very high	48 Å²	48	33.4 Å²	33.4	25%	0.251	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-31.5	173.4	-72.1	174.6	0	0	0	111.9	V105 L107 A118 M242	L97-V105 HydrophobicContact CB-CG1 4.24Å; L97-V105 HydrophobicContact CD1-CG1 4.43Å; L97-V105 PolarHBondContact N-O 3.38Å; L97-L107 HydrophobicContact CD1-CB 3.95Å; L97-L107 HydrophobicContact CD1-CD1 4.31Å; L97-L107 HydrophobicContact CD2-CB 4.04Å; L97-L107 HydrophobicContact CG-CB 3.86Å; L97-A118 HydrophobicContact CD1-CB 3.98Å; L97-M242 HydrophobicContact CD2-CE 4.41Å; L97-M242 HydrophobicContact CD2-SD 3.89Å
98	G	88.7	Confident	92.2	Very high	21 Å²	21	32.3 Å²	32.3	22%	0.216	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-177.4	176.3	0	0	0	0	0	111.5	V105	G98-V105 PolarHBondContact N-O 2.89Å; G98-V105 PolarHBondContact O-N 2.87Å
99	W	90.1	Very high	92.1	Very high	81 Å²	81	28.3 Å²	28.3	31%	0.307	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	169.8	172.8	67.5	-79	0	0	0	109.3	E66 Q67 E68 T104	E66-W99 HydrophobicContact CG-CZ2 4.17Å; E66-W99 PolarHBondContact O-NE1 3.38Å; Q67-W99 VanDerWaalsContact C-CZ2 3.42Å; E68-W99 HydrophobicContact CB-CD2 3.95Å; E68-W99 HydrophobicContact CB-CE3 3.58Å; E68-W99 HydrophobicContact CB-CH2 4.47Å; E68-W99 HydrophobicContact CB-CZ3 3.87Å; W99-T104 HydrophobicContact CB-CG2 4.07Å
100	G	86.4	Confident	92.4	Very high	28 Å²	28	26 Å²	26	29%	0.289	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	169	168.8	0	0	0	0	0	109	Y78 F102 S103	Y78-G100 PolarHBondContact OH-O 3.39Å; Y78-G100 VanDerWaalsContact OH-O 3.08Å; G100-F102 PolarHBondContact O-N 2.9Å; G100-S103 PolarHBondContact N-O 3.03Å; G100-S103 PolarHBondContact O-N 3.21Å
101	H	87.1	Confident	92.1	Very high	98 Å²	98	25.5 Å²	25.5	45%	0.454	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-27.5	-169.8	176.3	-107.2	0	0	0	115.9	K123 Y128	H101-K123 VanDerWaalsContact O-CD 3.32Å; H101-K123 WeakPolarHBondContact O-CD 3.24Å; H101-K123 WeakPolarHBondContact O-CE 3.21Å; H101-K123 PolarHBondContact O-NZ 2.66Å; H101-Y128 PolarHBondContact CE1-OH 3.1Å
102	F	91.4	Very high	91.9	Very high	98 Å²	98	31.9 Å²	31.9	43%	0.43	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-23	-178.1	-48.2	-67.5	0	0	0	115	G100 K123 Y128	G100-F102 PolarHBondContact O-N 2.9Å; F102-K123 PolarHBondContact O-N 2.71Å; F102-Y128 AromaticContact CD1-CD1 3.78Å; F102-Y128 HydrophobicContact CD1-CD1 3.78Å; F102-Y128 AromaticContact CD1-CE1 3.53Å; F102-Y128 HydrophobicContact CD1-CE1 3.53Å; F102-Y128 HydrophobicContact CE1-CD1 4.43Å; F102-Y128 AromaticContact CE1-CE1 3.9Å; F102-Y128 HydrophobicContact CE1-CE1 3.9Å
103	S	94.9	Very high	91.8	Very high	13 Å²	13	33.7 Å²	33.7	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	164.6	-168.3	69.2	0	0	0	0	114.7	G100 V121	G100-S103 PolarHBondContact N-O 3.03Å; G100-S103 PolarHBondContact O-N 3.21Å; S103-V121 CarbonylContact C-O 3.56Å; S103-V121 VanDerWaalsContact CA-O 3.25Å; S103-V121 WeakPolarHBondContact CA-O 3.45Å; S103-V121 VanDerWaalsContact CB-O 3.3Å; S103-V121 WeakPolarHBondContact CB-O 3.33Å
104	T	95.3	Very high	91.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.6	169	55.8	0	0	0	0	110.4	Y78 W99 W106 V121	Y78-T104 HydrophobicContact CD1-CG2 3.98Å; Y78-T104 HydrophobicContact CE1-CG2 4.17Å; W99-T104 HydrophobicContact CB-CG2 4.07Å; T104-W106 PolarHBondContact OG1-NE1 3.46Å; T104-V121 PolarHBondContact N-O 2.89Å; T104-V121 PolarHBondContact O-N 3.38Å
105	V	95.9	Very high	91.6	Very high	39 Å²	39	43.7 Å²	43.7	24%	0.236	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.7	-175	-172.2	0	0	0	0	110.6	L97 G98 A118 M119 K120	L97-V105 HydrophobicContact CB-CG1 4.24Å; L97-V105 HydrophobicContact CD1-CG1 4.43Å; L97-V105 PolarHBondContact N-O 3.38Å; G98-V105 PolarHBondContact N-O 2.89Å; G98-V105 PolarHBondContact O-N 2.87Å; V105-A118 HydrophobicContact CG1-CB 4.23Å; V105-M119 WeakPolarHBondContact CA-O 3.37Å; V105-K120 HydrophobicContact CG2-CB 4.42Å; V105-K120 HydrophobicContact CG2-CG 4.42Å
106	W	96.4	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.6	-169	-59.5	85	0	0	0	112.6	V81 I83 V93 K96 T104 C108 M119	V81-W106 HydrophobicContact CB-CD2 4.23Å; V81-W106 HydrophobicContact CB-CH2 4.26Å; V81-W106 HydrophobicContact CB-CZ2 3.7Å; V81-W106 HydrophobicContact CG1-CD2 3.6Å; V81-W106 HydrophobicContact CG1-CE3 3.93Å; V81-W106 HydrophobicContact CG1-CG 4.08Å; V81-W106 HydrophobicContact CG1-CH2 4.25Å; V81-W106 HydrophobicContact CG1-CZ2 3.95Å; V81-W106 HydrophobicContact CG1-CZ3 4.23Å; I83-W106 HydrophobicContact CD1-CE3 4.11Å; I83-W106 HydrophobicContact CD1-CZ3 3.76Å; V93-W106 HydrophobicContact CG1-CB 4.32Å; V93-W106 HydrophobicContact CG1-CD2 4.29Å; V93-W106 HydrophobicContact CG1-CE3 3.69Å; V93-W106 HydrophobicContact CG1-CZ3 4.47Å; K96-W106 HydrophobicContact CB-CE3 3.9Å; K96-W106 HydrophobicContact CB-CH2 4.09Å; K96-W106 HydrophobicContact CB-CZ3 3.66Å; K96-W106 HydrophobicContact CD-CH2 3.84Å; K96-W106 HydrophobicContact CD-CZ2 4.05Å; K96-W106 HydrophobicContact CD-CZ3 4.3Å; K96-W106 HydrophobicContact CG-CD2 4.48Å; K96-W106 HydrophobicContact CG-CE3 4.31Å; K96-W106 HydrophobicContact CG-CH2 4.1Å; K96-W106 HydrophobicContact CG-CZ2 4.28Å; K96-W106 HydrophobicContact CG-CZ3 4.13Å; T104-W106 PolarHBondContact OG1-NE1 3.46Å; W106-C108 PolarHBondContact O-N 3.09Å; W106-M119 HydrophobicContact CB-CE 4.42Å; W106-M119 PolarHBondContact N-O 3.2Å; W106-M119 PolarHBondContact O-N 3.21Å
107	L	95.8	Very high	92.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.4	169	-175.7	69.1	0	0	0	108.5	I94 R95 L97 F116 V178 V239 M242 A243	I94-L107 HydrophobicContact CB-CD2 4.3Å; I94-L107 HydrophobicContact CB-CG 4.44Å; I94-L107 HydrophobicContact CD1-CD2 4.38Å; I94-L107 HydrophobicContact CD1-CG 4.32Å; I94-L107 HydrophobicContact CG2-CD2 4.18Å; I94-L107 PolarHBondContact N-O 2.93Å; R95-L107 HydrophobicContact CG-CB 3.7Å; R95-L107 HydrophobicContact CG-CD2 3.82Å; R95-L107 HydrophobicContact CG-CG 4.41Å; R95-L107 PolarHBondContact O-N 3.37Å; L97-L107 HydrophobicContact CD1-CB 3.95Å; L97-L107 HydrophobicContact CD1-CD1 4.31Å; L97-L107 HydrophobicContact CD2-CB 4.04Å; L97-L107 HydrophobicContact CG-CB 3.86Å; L107-F116 HydrophobicContact CD1-CB 4.17Å; L107-F116 HydrophobicContact CD1-CD1 4.47Å; L107-V178 HydrophobicContact CD1-CG1 4.16Å; L107-V178 HydrophobicContact CD1-CG2 3.68Å; L107-V239 HydrophobicContact CD1-CG1 3.94Å; L107-M242 HydrophobicContact CD2-SD 3.81Å; L107-A243 HydrophobicContact CD2-CB 4.08Å
108	C	95.8	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	151	179.2	-66	0	0	0	0	111.6	H92 W106 F116 V117	H92-C108 CarbonylContact O-C 3.58Å; H92-C108 WeakPolarHBondContact O-CA 3.33Å; W106-C108 PolarHBondContact O-N 3.09Å; C108-F116 WeakPolarHBondContact O-CA 3.42Å; C108-V117 HydrophobicContact CB-CG2 3.87Å; C108-V117 PolarHBondContact N-O 2.95Å; C108-V117 PolarHBondContact O-N 3.37Å
109	W	93.4	Very high	93	Very high	8 Å²	8	39.2 Å²	39.2	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.6	165.8	179.4	-113.5	0	0	0	109.7	Y91 H92 I94 M111 K114 F116 I300 L303	Y91-W109 WeakPolarHBondContact CA-O 3.44Å; H92-W109 HydrophobicContact CB-CB 4.47Å; H92-W109 PolarHBondContact N-O 3.17Å; H92-W109 PolarHBondContact O-N 2.83Å; I94-W109 HydrophobicContact CD1-CB 4Å; W109-M111 PolarHBondContact O-N 3.47Å; W109-K114 HydrophobicContact CH2-CB 4.45Å; W109-K114 WeakPolarHBondContact CH2-O 3.49Å; W109-K114 HydrophobicContact CZ2-CB 4.35Å; W109-K114 HydrophobicContact CZ2-CD 4.22Å; W109-F116 AromaticContact CE3-CD1 3.81Å; W109-F116 HydrophobicContact CE3-CD1 3.81Å; W109-F116 HydrophobicContact CE3-CD2 4.23Å; W109-F116 AromaticContact CE3-CE1 3.67Å; W109-F116 HydrophobicContact CE3-CE1 3.67Å; W109-F116 HydrophobicContact CE3-CE2 4.1Å; W109-F116 HydrophobicContact CE3-CG 4.09Å; W109-F116 AromaticContact CE3-CZ 3.83Å; W109-F116 HydrophobicContact CE3-CZ 3.83Å; W109-F116 HydrophobicContact CZ3-CD1 4.44Å; W109-F116 HydrophobicContact CZ3-CD2 4.05Å; W109-F116 HydrophobicContact CZ3-CE1 4.2Å; W109-F116 AromaticContact CZ3-CE2 3.79Å; W109-F116 HydrophobicContact CZ3-CE2 3.79Å; W109-F116 HydrophobicContact CZ3-CG 4.36Å; W109-F116 AromaticContact CZ3-CZ 3.88Å; W109-F116 HydrophobicContact CZ3-CZ 3.88Å; W109-I300 HydrophobicContact CD2-CD1 4.27Å; W109-I300 HydrophobicContact CD2-CG1 4.39Å; W109-I300 HydrophobicContact CE3-CD1 4.42Å; W109-I300 HydrophobicContact CE3-CG1 4.44Å; W109-I300 HydrophobicContact CH2-CG1 4.33Å; W109-I300 HydrophobicContact CZ2-CG1 4.27Å; W109-I300 HydrophobicContact CZ3-CG1 4.41Å; W109-L303 HydrophobicContact CH2-CD1 3.85Å; W109-L303 HydrophobicContact CZ2-CD1 4Å
110	D	94.6	Very high	93.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	106.8	168.6	-178	-5.3	0	0	0	109.4	R90 Y91 Q112 G113 K114 R115 V117	R90-D110 WeakPolarHBondContact CG-OD1 3.28Å; R90-D110 IonicContact CZ-OD1 4Å; R90-D110 IonicContact CZ-OD2 3.11Å; R90-D110 VanDerWaalsContact NE-CG 3.33Å; R90-D110 IonicContact NE-OD1 2.84Å; R90-D110 PolarHBondContact NE-OD1 3.04Å; R90-D110 IonicContact NE-OD2 2.72Å; R90-D110 PolarHBondContact NE-OD2 3.1Å; R90-D110 IonicContact NH2-OD1 3.7Å; R90-D110 IonicContact NH2-OD2 2.75Å; R90-D110 PolarHBondContact NH2-OD2 3.38Å; Y91-D110 HydrophobicContact CD1-CB 4.14Å; Y91-D110 HydrophobicContact CE1-CB 3.82Å; D110-Q112 PolarHBondContact O-N 2.88Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.27Å; D110-Q112 PolarHBondContact OD1-N 2.64Å; D110-G113 PolarHBondContact OD1-N 2.85Å; D110-G113 WeakPolarHBondContact OD2-CA 3.41Å; D110-G113 PolarHBondContact OD2-N 3.21Å; D110-K114 WeakPolarHBondContact O-CA 3.46Å; D110-K114 PolarHBondContact O-N 3.39Å; D110-R115 HydrophobicContact CB-CG 4.26Å; D110-R115 WeakPolarHBondContact CB-O 3.48Å; D110-R115 PolarHBondContact N-O 2.92Å; D110-V117 HydrophobicContact CB-CG1 4.27Å
111	M	88.4	Confident	93.9	Very high	34 Å²	34	35 Å²	35	17%	0.167	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.6	-179.6	-63.2	-166.9	-21.3	0	0	113.7	L86 G89 R90 W109 K114 R296	L86-M111 HydrophobicContact CD1-CE 4.41Å; L86-M111 HydrophobicContact CD1-SD 4.02Å; G89-M111 WeakPolarHBondContact O-CE 3.47Å; R90-M111 WeakPolarHBondContact O-CB 3.46Å; R90-M111 WeakPolarHBondContact O-CG 3.46Å; R90-M111 PolarHBondContact O-N 2.94Å; W109-M111 PolarHBondContact O-N 3.47Å; M111-K114 WeakPolarHBondContact O-CE 3.35Å; M111-K114 PolarHBondContact O-NZ 3.36Å; M111-R296 PolarHBondContact SD-NE 2.91Å; M111-R296 PolarHBondContact SD-NH2 3.35Å
112	Q	91.4	Very high	94.4	Very high	134 Å²	134	30.7 Å²	30.7	63%	0.626	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-56.2	178.8	-63	176.9	10.5	0	0	110.3	R90 D110 K114	R90-Q112 HydrophobicContact CG-CB 4.42Å; R90-Q112 HydrophobicContact CG-CG 4.04Å; D110-Q112 PolarHBondContact O-N 2.88Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.27Å; D110-Q112 PolarHBondContact OD1-N 2.64Å; Q112-K114 VanDerWaalsContact C-N 3.26Å; Q112-K114 PolarHBondContact O-N 3.34Å
113	G	89	Confident	94.7	Very high	42 Å²	42	26 Å²	26	43%	0.433	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.3	-178.3	0	0	0	0	0	115.7	D110 R115	D110-G113 PolarHBondContact OD1-N 2.85Å; D110-G113 WeakPolarHBondContact OD2-CA 3.41Å; D110-G113 PolarHBondContact OD2-N 3.21Å; G113-R115 PolarHBondContact O-N 3.35Å; G113-R115 VanDerWaalsContact O-N 3.17Å
114	K	87.8	Confident	94.8	Very high	109 Å²	109	26.1 Å²	26.1	47%	0.474	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	36.9	178.5	-56.8	-54.2	-172.4	-168	0	114.1	W109 D110 M111 Q112	W109-K114 HydrophobicContact CH2-CB 4.45Å; W109-K114 WeakPolarHBondContact CH2-O 3.49Å; W109-K114 HydrophobicContact CZ2-CB 4.35Å; W109-K114 HydrophobicContact CZ2-CD 4.22Å; D110-K114 WeakPolarHBondContact O-CA 3.46Å; D110-K114 PolarHBondContact O-N 3.39Å; M111-K114 WeakPolarHBondContact O-CE 3.35Å; M111-K114 PolarHBondContact O-NZ 3.36Å; Q112-K114 VanDerWaalsContact C-N 3.26Å; Q112-K114 PolarHBondContact O-N 3.34Å
115	R	91.3	Very high	94.9	Very high	114 Å²	114	27.1 Å²	27.1	43%	0.43	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.3	-176.8	63.8	-178.2	-67.9	177.3	2	111.2	D110 G113 V117	D110-R115 HydrophobicContact CB-CG 4.26Å; D110-R115 WeakPolarHBondContact CB-O 3.48Å; D110-R115 PolarHBondContact N-O 2.92Å; G113-R115 PolarHBondContact O-N 3.35Å; G113-R115 VanDerWaalsContact O-N 3.17Å; R115-V117 HydrophobicContact CG-CG1 4.12Å
116	F	94.8	Very high	94.9	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.057	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	147.5	165.5	-60.3	-79.2	0	0	0	110.5	I94 L107 C108 W109 V178 V239 R240 A243 I300	I94-F116 HydrophobicContact CD1-CD1 3.74Å; I94-F116 HydrophobicContact CD1-CE1 3.59Å; L107-F116 HydrophobicContact CD1-CB 4.17Å; L107-F116 HydrophobicContact CD1-CD1 4.47Å; C108-F116 WeakPolarHBondContact O-CA 3.42Å; W109-F116 AromaticContact CE3-CD1 3.81Å; W109-F116 HydrophobicContact CE3-CD1 3.81Å; W109-F116 HydrophobicContact CE3-CD2 4.23Å; W109-F116 AromaticContact CE3-CE1 3.67Å; W109-F116 HydrophobicContact CE3-CE1 3.67Å; W109-F116 HydrophobicContact CE3-CE2 4.1Å; W109-F116 HydrophobicContact CE3-CG 4.09Å; W109-F116 AromaticContact CE3-CZ 3.83Å; W109-F116 HydrophobicContact CE3-CZ 3.83Å; W109-F116 HydrophobicContact CZ3-CD1 4.44Å; W109-F116 HydrophobicContact CZ3-CD2 4.05Å; W109-F116 HydrophobicContact CZ3-CE1 4.2Å; W109-F116 AromaticContact CZ3-CE2 3.79Å; W109-F116 HydrophobicContact CZ3-CE2 3.79Å; W109-F116 HydrophobicContact CZ3-CG 4.36Å; W109-F116 AromaticContact CZ3-CZ 3.88Å; W109-F116 HydrophobicContact CZ3-CZ 3.88Å; F116-V178 HydrophobicContact CB-CG2 3.95Å; F116-V239 HydrophobicContact CB-CG1 3.53Å; F116-V239 HydrophobicContact CD1-CG1 4.39Å; F116-V239 HydrophobicContact CD2-CB 4.49Å; F116-V239 HydrophobicContact CD2-CG1 3.83Å; F116-V239 HydrophobicContact CG-CG1 3.66Å; F116-R240 HydrophobicContact CE2-CG 3.77Å; F116-A243 HydrophobicContact CD1-CB 4.27Å; F116-A243 HydrophobicContact CE1-CB 3.5Å; F116-A243 HydrophobicContact CZ-CB 3.8Å; F116-I300 HydrophobicContact CE1-CD1 4.32Å; F116-I300 HydrophobicContact CZ-CD1 4.25Å; F116-I300 HydrophobicContact CZ-CG1 4.5Å; F116-I300 HydrophobicContact CZ-CG2 4.23Å
117	V	97.5	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.6	179.2	-62.2	0	0	0	0	110.4	Y91 C108 D110 R115 I159 V175 F176 V178	Y91-V117 HydrophobicContact CD1-CG2 3.68Å; Y91-V117 HydrophobicContact CE1-CG2 3.81Å; C108-V117 HydrophobicContact CB-CG2 3.87Å; C108-V117 PolarHBondContact N-O 2.95Å; C108-V117 PolarHBondContact O-N 3.37Å; D110-V117 HydrophobicContact CB-CG1 4.27Å; R115-V117 HydrophobicContact CG-CG1 4.12Å; V117-I159 HydrophobicContact CG1-CD1 3.9Å; V117-V175 HydrophobicContact CB-CG1 3.59Å; V117-V175 HydrophobicContact CG1-CG1 4Å; V117-V175 HydrophobicContact CG2-CG1 3.61Å; V117-F176 CarbonylContact C-O 3.52Å; V117-F176 WeakPolarHBondContact CA-O 3.28Å; V117-F176 WeakPolarHBondContact CB-O 3.43Å; V117-V178 VanDerWaalsContact C-CG2 3.5Å
118	A	98.1	Very high	94.7	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.1	170.9	0	0	0	0	0	109.8	L97 V105 V175 F176	L97-A118 HydrophobicContact CD1-CB 3.98Å; V105-A118 HydrophobicContact CG1-CB 4.23Å; A118-V175 WeakPolarHBondContact O-CA 3.18Å; A118-F176 PolarHBondContact N-O 2.91Å; A118-F176 PolarHBondContact O-N 2.88Å
119	M	98.1	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.5	-178.5	-175.2	-179.6	71.8	0	0	110.5	F87 V93 V105 W106 V121 F162 M174 V175	F87-M119 HydrophobicContact CB-SD 4.14Å; F87-M119 HydrophobicContact CD2-CE 3.65Å; F87-M119 HydrophobicContact CD2-SD 4.25Å; F87-M119 HydrophobicContact CE2-CE 4.05Å; F87-M119 HydrophobicContact CG-CE 4.23Å; F87-M119 HydrophobicContact CG-SD 4.34Å; V93-M119 HydrophobicContact CG2-CE 4.19Å; V105-M119 WeakPolarHBondContact CA-O 3.37Å; W106-M119 HydrophobicContact CB-CE 4.42Å; W106-M119 PolarHBondContact N-O 3.2Å; W106-M119 PolarHBondContact O-N 3.21Å; M119-V121 HydrophobicContact CE-CG2 3.83Å; M119-V121 HydrophobicContact CG-CG2 4.13Å; M119-V121 HydrophobicContact SD-CG2 4.48Å; M119-F162 HydrophobicContact SD-CZ 3.94Å; M119-M174 CarbonylContact C-O 3.59Å; M119-M174 WeakPolarHBondContact CA-O 3.23Å; M119-V175 HydrophobicContact CG-CG2 4.38Å
120	K	97.7	Very high	94.8	Very high	22 Å²	22	44 Å²	44	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118	174.8	-176.1	176.7	174.3	-171.7	0	108.3	V105 E135 C173 M174 F176 D540	V105-K120 HydrophobicContact CG2-CB 4.42Å; V105-K120 HydrophobicContact CG2-CG 4.42Å; K120-E135 IonicContact NZ-OE1 2.59Å; K120-E135 PolarHBondContact NZ-OE1 2.91Å; K120-E135 IonicContact NZ-OE2 3.65Å; K120-E135 PolarHBondContact NZ-OE2 3.45Å; K120-C173 WeakPolarHBondContact O-CA 3.39Å; K120-M174 HydrophobicContact CB-CB 4.43Å; K120-M174 HydrophobicContact CD-CE 3.81Å; K120-M174 HydrophobicContact CG-CE 4.21Å; K120-M174 PolarHBondContact N-O 2.87Å; K120-M174 PolarHBondContact O-N 3.19Å; K120-F176 HydrophobicContact CB-CD2 4.37Å; K120-F176 HydrophobicContact CB-CE2 3.89Å; K120-F176 HydrophobicContact CD-CE2 4.07Å; K120-D540 IonicContact NZ-OD1 3.82Å; K120-D540 PolarHBondContact NZ-OD1 3.28Å
121	V	97.9	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.5	179.7	-175.1	0	0	0	0	109.3	H79 V81 S103 T104 M119 I164 H171	H79-V121 HydrophobicContact CB-CG1 3.78Å; V81-V121 HydrophobicContact CG2-CG2 4.35Å; S103-V121 CarbonylContact C-O 3.56Å; S103-V121 VanDerWaalsContact CA-O 3.25Å; S103-V121 WeakPolarHBondContact CA-O 3.45Å; S103-V121 VanDerWaalsContact CB-O 3.3Å; S103-V121 WeakPolarHBondContact CB-O 3.33Å; T104-V121 PolarHBondContact N-O 2.89Å; T104-V121 PolarHBondContact O-N 3.38Å; M119-V121 HydrophobicContact CE-CG2 3.83Å; M119-V121 HydrophobicContact CG-CG2 4.13Å; M119-V121 HydrophobicContact SD-CG2 4.48Å; V121-I164 HydrophobicContact CG1-CD1 4.02Å; V121-H171 HydrophobicContact CG1-CB 4.32Å
122	V	97.7	Very high	95.2	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	152.7	-170.1	-171.6	0	0	0	0	111.8	A132 H171 V172 M174	V122-A132 HydrophobicContact CB-CB 4.48Å; V122-A132 HydrophobicContact CG1-CB 4.19Å; V122-A132 HydrophobicContact CG2-CB 3.97Å; V122-H171 WeakPolarHBondContact O-CB 3.47Å; V122-H171 PolarHBondContact O-ND1 3.41Å; V122-V172 HydrophobicContact CB-CB 4.47Å; V122-V172 HydrophobicContact CG2-CB 4.42Å; V122-V172 PolarHBondContact N-O 2.86Å; V122-M174 HydrophobicContact CG2-CE 3.75Å
123	K	96.9	Very high	95.5	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.215	C	C	.	.			trans	-56.9	148.8	167.6	-74.5	-172.4	175.6	175.4	0	111.3	D72 G77 Y78 H101 F102 Y128	D72-K123 IonicContact OD1-NZ 2.78Å; D72-K123 PolarHBondContact OD1-NZ 3.46Å; D72-K123 WeakPolarHBondContact OD2-CE 3.35Å; D72-K123 IonicContact OD2-NZ 2.69Å; D72-K123 PolarHBondContact OD2-NZ 3.21Å; G77-K123 VanDerWaalsContact O-CA 3.29Å; G77-K123 WeakPolarHBondContact O-CA 3.29Å; Y78-K123 HydrophobicContact CD1-CD 4.35Å; Y78-K123 HydrophobicContact CD1-CG 3.61Å; Y78-K123 HydrophobicContact CE1-CD 4.18Å; Y78-K123 HydrophobicContact CE1-CG 3.81Å; Y78-K123 HydrophobicContact CG-CG 4.19Å; H101-K123 VanDerWaalsContact O-CD 3.32Å; H101-K123 WeakPolarHBondContact O-CD 3.24Å; H101-K123 WeakPolarHBondContact O-CE 3.21Å; H101-K123 PolarHBondContact O-NZ 2.66Å; F102-K123 PolarHBondContact O-N 2.71Å; K123-Y128 HydrophobicContact CB-CD2 3.34Å; K123-Y128 HydrophobicContact CB-CE2 3.85Å; K123-Y128 HydrophobicContact CB-CG 4.06Å; K123-Y128 HydrophobicContact CD-CD2 4.03Å; K123-Y128 HydrophobicContact CD-CE2 3.6Å; K123-Y128 HydrophobicContact CG-CD2 4.29Å; K123-Y128 HydrophobicContact CG-CE2 4.36Å
124	S	97.3	Very high	95.8	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.098	20%	0.203	C	C	.	.			trans	-90.6	3.9	-170	51.3	0	0	0	0	116.4	G76 G77 N168 I170 H171	G76-S124 VanDerWaalsContact C-OG 3.29Å; G76-S124 VanDerWaalsContact CA-OG 3.22Å; G76-S124 WeakPolarHBondContact CA-OG 3.21Å; G76-S124 PolarHBondContact N-OG 2.75Å; G76-S124 CarbonylContact O-C 3.58Å; G76-S124 PolarHBondContact O-N 2.9Å; G76-S124 VanDerWaalsContact O-N 3.12Å; G77-S124 PolarHBondContact O-N 3.2Å; G77-S124 PolarHBondContact O-OG 3.4Å; S124-N168 VanDerWaalsContact OG-C 3.3Å; S124-N168 PolarHBondContact OG-O 2.91Å; S124-I170 VanDerWaalsContact CB-O 3.27Å; S124-I170 WeakPolarHBondContact CB-O 3.35Å; S124-H171 VanDerWaalsContact CB-CE1 3.44Å; S124-H171 WeakPolarHBondContact CB-CE1 3.36Å; S124-H171 PolarHBondContact OG-CE1 3.09Å
125	A	96.9	Very high	96.3	Very high	21 Å²	21	37.1 Å²	37.1	17%	0.174	18%	0.183	C	C	.	.	S	Bend	trans	-68.1	156.9	174.8	0	0	0	0	0	111.1	G76 H127 Y128 T129	G76-A125 WeakPolarHBondContact O-CB 3.23Å; G76-A125 PolarHBondContact O-N 2.97Å; A125-H127 VanDerWaalsContact CB-CE1 3.48Å; A125-H127 WeakPolarHBondContact CB-CE1 3.29Å; A125-H127 PolarHBondContact O-N 3.22Å; A125-Y128 HydrophobicContact CB-CD2 3.68Å; A125-Y128 HydrophobicContact CB-CE2 4.1Å; A125-Y128 PolarHBondContact O-N 3.06Å; A125-T129 WeakPolarHBondContact O-CB 3.47Å; A125-T129 PolarHBondContact O-N 3.35Å; A125-T129 PolarHBondContact O-OG1 3.35Å
126	Q	95.9	Very high	96.6	Very high	140 Å²	140	32 Å²	32	65%	0.654	17%	0.165	S	C	*	.	H	α-helix	trans	-60.6	-48.1	-172.7	178.7	173	-11.6	0	0	112.2	Y128 T129 E130	Q126-Y128 PolarHBondContact O-N 2.83Å; Q126-T129 CarbonylContact O-C 3.5Å; Q126-T129 WeakPolarHBondContact O-CA 3.47Å; Q126-T129 WeakPolarHBondContact O-CB 3.48Å; Q126-T129 PolarHBondContact O-N 3.1Å; Q126-T129 VanDerWaalsContact O-N 3.11Å; Q126-E130 HydrophobicContact CG-CG 4.37Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.19Å; Q126-E130 PolarHBondContact NE2-OE1 3.39Å; Q126-E130 WeakPolarHBondContact O-CG 3.49Å; Q126-E130 PolarHBondContact O-N 2.86Å
127	H	93.4	Very high	96.8	Very high	100 Å²	100	36.4 Å²	36.4	46%	0.463	18%	0.184	S	C	.	.	H	α-helix	trans	-62.4	-45.3	-179.5	60.3	-59.2	0	0	0	112.3	A125 T129 E130 T131	A125-H127 VanDerWaalsContact CB-CE1 3.48Å; A125-H127 WeakPolarHBondContact CB-CE1 3.29Å; A125-H127 PolarHBondContact O-N 3.22Å; H127-T129 VanDerWaalsContact C-N 3.27Å; H127-T129 PolarHBondContact O-N 3.34Å; H127-E130 PolarHBondContact O-N 3.46Å; H127-T131 PolarHBondContact O-N 2.66Å; H127-T131 PolarHBondContact O-OG1 2.93Å
128	Y	94.8	Very high	96.8	Very high	39 Å²	39	36.4 Å²	36.4	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-35.3	173.9	-56.1	-43.3	0	0	0	112.5	H101 F102 K123 A125 Q126 A132	H101-Y128 PolarHBondContact CE1-OH 3.1Å; F102-Y128 AromaticContact CD1-CD1 3.78Å; F102-Y128 HydrophobicContact CD1-CD1 3.78Å; F102-Y128 AromaticContact CD1-CE1 3.53Å; F102-Y128 HydrophobicContact CD1-CE1 3.53Å; F102-Y128 HydrophobicContact CE1-CD1 4.43Å; F102-Y128 AromaticContact CE1-CE1 3.9Å; F102-Y128 HydrophobicContact CE1-CE1 3.9Å; K123-Y128 HydrophobicContact CB-CD2 3.34Å; K123-Y128 HydrophobicContact CB-CE2 3.85Å; K123-Y128 HydrophobicContact CB-CG 4.06Å; K123-Y128 HydrophobicContact CD-CD2 4.03Å; K123-Y128 HydrophobicContact CD-CE2 3.6Å; K123-Y128 HydrophobicContact CG-CD2 4.29Å; K123-Y128 HydrophobicContact CG-CE2 4.36Å; A125-Y128 HydrophobicContact CB-CD2 3.68Å; A125-Y128 HydrophobicContact CB-CE2 4.1Å; A125-Y128 PolarHBondContact O-N 3.06Å; Q126-Y128 PolarHBondContact O-N 2.83Å; Y128-A132 VanDerWaalsContact O-CB 3.27Å; Y128-A132 WeakPolarHBondContact O-CB 3.5Å; Y128-A132 PolarHBondContact O-N 3.45Å; Y128-A132 VanDerWaalsContact O-N 3.07Å
129	T	95.8	Very high	96.8	Very high	25 Å²	25	36 Å²	36	15%	0.153	18%	0.18	C	C	.	.	H	α-helix	trans	-69	-39	176	-61.2	0	0	0	0	111.8	A125 Q126 H127 L133 V172	A125-T129 WeakPolarHBondContact O-CB 3.47Å; A125-T129 PolarHBondContact O-N 3.35Å; A125-T129 PolarHBondContact O-OG1 3.35Å; Q126-T129 CarbonylContact O-C 3.5Å; Q126-T129 WeakPolarHBondContact O-CA 3.47Å; Q126-T129 WeakPolarHBondContact O-CB 3.48Å; Q126-T129 PolarHBondContact O-N 3.1Å; Q126-T129 VanDerWaalsContact O-N 3.11Å; H127-T129 VanDerWaalsContact C-N 3.27Å; H127-T129 PolarHBondContact O-N 3.34Å; T129-L133 HydrophobicContact CG2-CD1 4.21Å; T129-L133 WeakPolarHBondContact O-CB 3.43Å; T129-L133 WeakPolarHBondContact O-CG 3.32Å; T129-L133 PolarHBondContact O-N 2.97Å; T129-L133 VanDerWaalsContact O-N 3.13Å; T129-V172 HydrophobicContact CG2-CG2 4Å
130	E	94.9	Very high	96.8	Very high	99 Å²	99	38.7 Å²	38.7	46%	0.463	19%	0.192	S	C	.	.	H	α-helix	trans	-69.9	-48.6	178.4	-74.1	167.2	177.2	0	0	111.2	Q126 H127 A132 L133 D134	Q126-E130 HydrophobicContact CG-CG 4.37Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.19Å; Q126-E130 PolarHBondContact NE2-OE1 3.39Å; Q126-E130 WeakPolarHBondContact O-CG 3.49Å; Q126-E130 PolarHBondContact O-N 2.86Å; H127-E130 PolarHBondContact O-N 3.46Å; E130-A132 PolarHBondContact O-N 3.27Å; E130-L133 PolarHBondContact O-N 3.43Å; E130-L133 VanDerWaalsContact O-N 3.07Å; E130-D134 PolarHBondContact O-N 3.07Å; E130-D134 VanDerWaalsContact O-N 3.08Å
131	T	95.1	Very high	96.8	Very high	73 Å²	73	39.2 Å²	39.2	45%	0.448	20%	0.198	S	C	.	.	H	α-helix	trans	-56.2	-46.9	173.5	-56.9	0	0	0	0	111.5	H127 L133 D134 E135	H127-T131 PolarHBondContact O-N 2.66Å; H127-T131 PolarHBondContact O-OG1 2.93Å; T131-L133 VanDerWaalsContact C-N 3.26Å; T131-L133 PolarHBondContact O-N 3.13Å; T131-D134 PolarHBondContact O-N 2.84Å; T131-D134 VanDerWaalsContact O-N 3.12Å; T131-E135 PolarHBondContact O-N 3.04Å
132	A	96.6	Very high	96.9	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-28.1	178	0	0	0	0	0	113.4	V122 Y128 E130 I136 V172 M174	V122-A132 HydrophobicContact CB-CB 4.48Å; V122-A132 HydrophobicContact CG1-CB 4.19Å; V122-A132 HydrophobicContact CG2-CB 3.97Å; Y128-A132 VanDerWaalsContact O-CB 3.27Å; Y128-A132 WeakPolarHBondContact O-CB 3.5Å; Y128-A132 PolarHBondContact O-N 3.45Å; Y128-A132 VanDerWaalsContact O-N 3.07Å; E130-A132 PolarHBondContact O-N 3.27Å; A132-I136 WeakPolarHBondContact O-CB 3.43Å; A132-I136 WeakPolarHBondContact O-CD1 3.2Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.11Å; A132-I136 PolarHBondContact O-N 2.84Å; A132-V172 HydrophobicContact CB-CB 4.1Å; A132-V172 HydrophobicContact CB-CG1 4.05Å; A132-V172 HydrophobicContact CB-CG2 4.33Å; A132-M174 HydrophobicContact CB-CE 4.23Å
133	L	97.3	Very high	96.8	Very high	54 Å²	54	42.7 Å²	42.7	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-77	-27	174.7	-74.6	171.7	0	0	0	112.8	T129 E130 T131 K137	T129-L133 HydrophobicContact CG2-CD1 4.21Å; T129-L133 WeakPolarHBondContact O-CB 3.43Å; T129-L133 WeakPolarHBondContact O-CG 3.32Å; T129-L133 PolarHBondContact O-N 2.97Å; T129-L133 VanDerWaalsContact O-N 3.13Å; E130-L133 PolarHBondContact O-N 3.43Å; E130-L133 VanDerWaalsContact O-N 3.07Å; T131-L133 VanDerWaalsContact C-N 3.26Å; T131-L133 PolarHBondContact O-N 3.13Å; L133-K137 WeakPolarHBondContact O-CE 3.3Å; L133-K137 WeakPolarHBondContact O-CG 3.36Å; L133-K137 PolarHBondContact O-N 3.22Å
134	D	96.3	Very high	96.8	Very high	35 Å²	35	47.8 Å²	47.8	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-79.5	-37.6	169.1	-82.7	-25.1	0	0	0	111.8	E130 T131 I136 K137 L138 F551	E130-D134 PolarHBondContact O-N 3.07Å; E130-D134 VanDerWaalsContact O-N 3.08Å; T131-D134 PolarHBondContact O-N 2.84Å; T131-D134 VanDerWaalsContact O-N 3.12Å; D134-I136 VanDerWaalsContact C-N 3.31Å; D134-I136 PolarHBondContact O-N 3.48Å; D134-K137 WeakPolarHBondContact O-CB 3.39Å; D134-K137 PolarHBondContact O-N 2.76Å; D134-K137 WeakPolarHBondContact OD1-CD 3.23Å; D134-K137 WeakPolarHBondContact OD1-CE 3.42Å; D134-K137 IonicContact OD1-NZ 3.57Å; D134-K137 PolarHBondContact OD1-NZ 3.47Å; D134-L138 WeakPolarHBondContact O-CG 3.47Å; D134-L138 PolarHBondContact O-N 2.6Å; D134-F551 HydrophobicContact CB-CE2 4.34Å; D134-F551 HydrophobicContact CB-CZ 3.96Å
135	E	97.4	Very high	96.7	Very high	11 Å²	11	49.5 Å²	49.5	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-53	-47	169.2	-169.7	-170.2	153.9	0	0	110.8	K120 T131 K137 L138 L139 M174	K120-E135 IonicContact NZ-OE1 2.59Å; K120-E135 PolarHBondContact NZ-OE1 2.91Å; K120-E135 IonicContact NZ-OE2 3.65Å; K120-E135 PolarHBondContact NZ-OE2 3.45Å; T131-E135 PolarHBondContact O-N 3.04Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 2.87Å; E135-L138 PolarHBondContact O-N 2.8Å; E135-L139 HydrophobicContact CG-CD1 3.88Å; E135-L139 HydrophobicContact CG-CG 4.49Å; E135-L139 WeakPolarHBondContact O-CB 3.48Å; E135-L139 VanDerWaalsContact O-CG 3.28Å; E135-L139 WeakPolarHBondContact O-CG 3.21Å; E135-L139 PolarHBondContact O-N 3.06Å; E135-M174 HydrophobicContact CG-SD 4.31Å
136	I	98.4	Very high	96.7	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-36.7	176	-75.6	165.9	0	0	0	112.8	A132 D134 K140 L158 D161 V172 M174	A132-I136 WeakPolarHBondContact O-CB 3.43Å; A132-I136 WeakPolarHBondContact O-CD1 3.2Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.11Å; A132-I136 PolarHBondContact O-N 2.84Å; D134-I136 VanDerWaalsContact C-N 3.31Å; D134-I136 PolarHBondContact O-N 3.48Å; I136-K140 HydrophobicContact CG2-CD 3.91Å; I136-K140 WeakPolarHBondContact O-CB 3.38Å; I136-K140 VanDerWaalsContact O-CG 3.28Å; I136-K140 WeakPolarHBondContact O-CG 2.99Å; I136-K140 PolarHBondContact O-N 3.21Å; I136-L158 HydrophobicContact CG2-CD2 4.34Å; I136-D161 HydrophobicContact CD1-CB 3.9Å; I136-D161 HydrophobicContact CG1-CB 4.3Å; I136-D161 HydrophobicContact CG2-CB 4.49Å; I136-V172 HydrophobicContact CD1-CG1 3.51Å; I136-M174 HydrophobicContact CD1-CG 3.79Å; I136-M174 HydrophobicContact CD1-SD 4.17Å; I136-M174 HydrophobicContact CG1-CG 3.67Å; I136-M174 HydrophobicContact CG1-SD 3.62Å
137	K	98.3	Very high	96.7	Very high	104 Å²	104	47.3 Å²	47.3	45%	0.452	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-41.2	178	-67.5	164.1	-154.7	159.3	0	111.1	L133 D134 E135 K140 C141 W546	L133-K137 WeakPolarHBondContact O-CE 3.3Å; L133-K137 WeakPolarHBondContact O-CG 3.36Å; L133-K137 PolarHBondContact O-N 3.22Å; D134-K137 WeakPolarHBondContact O-CB 3.39Å; D134-K137 PolarHBondContact O-N 2.76Å; D134-K137 WeakPolarHBondContact OD1-CD 3.23Å; D134-K137 WeakPolarHBondContact OD1-CE 3.42Å; D134-K137 IonicContact OD1-NZ 3.57Å; D134-K137 PolarHBondContact OD1-NZ 3.47Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 2.87Å; K137-K140 PolarHBondContact O-N 3.5Å; K137-C141 WeakPolarHBondContact O-CB 3.41Å; K137-C141 PolarHBondContact O-N 3.19Å; K137-W546 HydrophobicContact CB-CH2 3.89Å; K137-W546 HydrophobicContact CB-CZ2 4.05Å; K137-W546 HydrophobicContact CD-CH2 4.45Å
138	L	98.4	Very high	96.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-47.8	175.2	-69.7	159.6	0	0	0	110.5	D134 E135 K140 C141 V142 I220 L541 A544 W546 F551	D134-L138 WeakPolarHBondContact O-CG 3.47Å; D134-L138 PolarHBondContact O-N 2.6Å; E135-L138 PolarHBondContact O-N 2.8Å; L138-K140 PolarHBondContact O-N 3.44Å; L138-C141 VanDerWaalsContact O-CB 3.31Å; L138-C141 WeakPolarHBondContact O-CB 3.38Å; L138-C141 PolarHBondContact O-N 2.97Å; L138-V142 WeakPolarHBondContact O-CG2 3.47Å; L138-V142 PolarHBondContact O-N 2.68Å; L138-I220 HydrophobicContact CB-CD1 4.23Å; L138-I220 HydrophobicContact CD2-CD1 3.71Å; L138-I220 HydrophobicContact CD2-CG1 3.76Å; L138-I220 HydrophobicContact CD2-CG2 4.24Å; L138-L541 HydrophobicContact CB-CD2 4.33Å; L138-A544 HydrophobicContact CD1-CB 4.2Å; L138-A544 VanDerWaalsContact CD1-O 3.24Å; L138-A544 WeakPolarHBondContact CD1-O 3.49Å; L138-W546 HydrophobicContact CD2-CD2 3.8Å; L138-W546 VanDerWaalsContact CD2-CE2 3.48Å; L138-W546 HydrophobicContact CD2-CE3 4.26Å; L138-W546 HydrophobicContact CD2-CG 4.24Å; L138-W546 HydrophobicContact CD2-CH2 4.19Å; L138-W546 HydrophobicContact CD2-CZ2 3.71Å; L138-W546 HydrophobicContact CD2-CZ3 4.44Å; L138-W546 HydrophobicContact CG-CH2 4.14Å; L138-W546 HydrophobicContact CG-CZ2 3.94Å; L138-F551 HydrophobicContact CD1-CE2 4.14Å
139	L	98.4	Very high	97	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-37.3	177.1	-72.8	165.7	0	0	0	113.6	E135 V142 R143 V156 L158 M174 F176 L541	E135-L139 HydrophobicContact CG-CD1 3.88Å; E135-L139 HydrophobicContact CG-CG 4.49Å; E135-L139 WeakPolarHBondContact O-CB 3.48Å; E135-L139 VanDerWaalsContact O-CG 3.28Å; E135-L139 WeakPolarHBondContact O-CG 3.21Å; E135-L139 PolarHBondContact O-N 3.06Å; L139-V142 PolarHBondContact O-N 2.88Å; L139-R143 PolarHBondContact O-N 3.12Å; L139-R143 VanDerWaalsContact O-N 3.07Å; L139-V156 HydrophobicContact CD2-CG1 4.27Å; L139-L158 HydrophobicContact CB-CB 3.9Å; L139-L158 HydrophobicContact CB-CD2 3.94Å; L139-L158 HydrophobicContact CB-CG 4.5Å; L139-L158 HydrophobicContact CD1-CB 4.37Å; L139-L158 HydrophobicContact CD1-CD1 4.41Å; L139-L158 HydrophobicContact CD1-CD2 4.43Å; L139-M174 HydrophobicContact CD1-SD 4.19Å; L139-F176 HydrophobicContact CD1-CE1 3.64Å; L139-F176 HydrophobicContact CD1-CZ 3.73Å; L139-F176 HydrophobicContact CD2-CE1 4.09Å; L139-L541 HydrophobicContact CD2-CD1 4.48Å; L139-L541 HydrophobicContact CD2-CD2 4.28Å
140	K	98.3	Very high	97	Very high	56 Å²	56	49.7 Å²	49.7	24%	0.243	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-44.6	172.3	-75.3	169.8	-180	168.3	0	111.2	I136 K137 L138 V142 R143 E144 L158 D161	I136-K140 HydrophobicContact CG2-CD 3.91Å; I136-K140 WeakPolarHBondContact O-CB 3.38Å; I136-K140 VanDerWaalsContact O-CG 3.28Å; I136-K140 WeakPolarHBondContact O-CG 2.99Å; I136-K140 PolarHBondContact O-N 3.21Å; K137-K140 PolarHBondContact O-N 3.5Å; L138-K140 PolarHBondContact O-N 3.44Å; K140-V142 VanDerWaalsContact C-N 3.33Å; K140-V142 PolarHBondContact O-N 2.95Å; K140-R143 PolarHBondContact O-N 2.87Å; K140-R143 VanDerWaalsContact O-N 3.13Å; K140-E144 VanDerWaalsContact O-CB 3.28Å; K140-E144 WeakPolarHBondContact O-CB 3.29Å; K140-E144 VanDerWaalsContact O-CD 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.13Å; K140-E144 PolarHBondContact O-N 3.09Å; K140-L158 HydrophobicContact CG-CD2 4.18Å; K140-D161 WeakPolarHBondContact CE-OD1 3.28Å; K140-D161 IonicContact NZ-OD1 3.52Å; K140-D161 PolarHBondContact NZ-OD1 2.9Å; K140-D161 IonicContact NZ-OD2 2.89Å; K140-D161 PolarHBondContact NZ-OD2 3.25Å
141	C	98	Very high	97.1	Very high	33 Å²	33	46.3 Å²	46.3	22%	0.223	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-45.1	172.1	-172.1	0	0	0	0	112.1	K137 L138 R143 E144 S145 I220	K137-C141 WeakPolarHBondContact O-CB 3.41Å; K137-C141 PolarHBondContact O-N 3.19Å; L138-C141 VanDerWaalsContact O-CB 3.31Å; L138-C141 WeakPolarHBondContact O-CB 3.38Å; L138-C141 PolarHBondContact O-N 2.97Å; C141-R143 VanDerWaalsContact C-N 3.35Å; C141-R143 PolarHBondContact O-N 2.82Å; C141-E144 PolarHBondContact O-N 3.42Å; C141-S145 WeakPolarHBondContact O-CB 3.31Å; C141-S145 PolarHBondContact O-N 3.09Å; C141-S145 PolarHBondContact O-OG 3.24Å; C141-S145 PolarHBondContact SG-OG 3.18Å; C141-S145 VanDerWaalsContact SG-OG 3.39Å; C141-I220 HydrophobicContact CB-CD1 4.29Å
142	V	97.9	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-46.7	174.6	170	0	0	0	0	111.9	L138 L139 K140 E144 V155 Y213 L214 I220 L541	L138-V142 WeakPolarHBondContact O-CG2 3.47Å; L138-V142 PolarHBondContact O-N 2.68Å; L139-V142 PolarHBondContact O-N 2.88Å; K140-V142 VanDerWaalsContact C-N 3.33Å; K140-V142 PolarHBondContact O-N 2.95Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 3.03Å; V142-V155 HydrophobicContact CG1-CB 4.02Å; V142-V155 HydrophobicContact CG1-CG1 3.82Å; V142-Y213 HydrophobicContact CG1-CE1 4.09Å; V142-Y213 VanDerWaalsContact O-CE1 3.25Å; V142-Y213 WeakPolarHBondContact O-CE1 3.42Å; V142-Y213 PolarHBondContact O-OH 2.83Å; V142-L214 HydrophobicContact CG2-CD2 3.53Å; V142-I220 HydrophobicContact CG2-CD1 3.82Å; V142-L541 HydrophobicContact CG2-CD2 3.78Å
143	R	96.3	Very high	97.1	Very high	79 Å²	79	48 Å²	48	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-68.7	-29.2	-178.8	-173.9	177.7	66.9	-178.2	7.1	113.6	L139 K140 C141 L158	L139-R143 PolarHBondContact O-N 3.12Å; L139-R143 VanDerWaalsContact O-N 3.07Å; K140-R143 PolarHBondContact O-N 2.87Å; K140-R143 VanDerWaalsContact O-N 3.13Å; C141-R143 VanDerWaalsContact C-N 3.35Å; C141-R143 PolarHBondContact O-N 2.82Å; R143-L158 WeakPolarHBondContact CD-O 3.38Å; R143-L158 PolarHBondContact NH1-O 2.9Å
144	E	96.6	Very high	97.2	Very high	107 Å²	107	46.8 Å²	46.8	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-110.8	-14	-165	-70.3	149.8	-148.8	0	0	114.5	K140 C141 V142	K140-E144 VanDerWaalsContact O-CB 3.28Å; K140-E144 WeakPolarHBondContact O-CB 3.29Å; K140-E144 VanDerWaalsContact O-CD 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.13Å; K140-E144 PolarHBondContact O-N 3.09Å; C141-E144 PolarHBondContact O-N 3.42Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 3.03Å
145	S	96.9	Very high	97.3	Very high	50 Å²	50	45.1 Å²	45.1	35%	0.35	24%	0.244	S	C	.	.	S	Bend	trans	-64.4	-51.8	-175.9	-68.5	0	0	0	0	114.4	C141	C141-S145 WeakPolarHBondContact O-CB 3.31Å; C141-S145 PolarHBondContact O-N 3.09Å; C141-S145 PolarHBondContact O-OG 3.24Å; C141-S145 PolarHBondContact SG-OG 3.18Å; C141-S145 VanDerWaalsContact SG-OG 3.39Å
146	D	96.7	Very high	97.3	Very high	37 Å²	37	45 Å²	45	20%	0.198	25%	0.245	C	C	.	.			trans	-146	88	170.6	-176.1	-11.5	0	0	0	109.6	S148 D149 Y213 K217	D146-S148 PolarHBondContact O-N 3.25Å; D146-S148 WeakPolarHBondContact OD1-CB 3.45Å; D146-S148 PolarHBondContact OD1-N 2.94Å; D146-S148 PolarHBondContact OD1-OG 2.76Å; D146-D149 HydrophobicContact CB-CB 4.24Å; D146-D149 PolarHBondContact O-N 2.79Å; D146-D149 PolarHBondContact OD1-N 2.64Å; D146-Y213 HydrophobicContact CB-CE2 4.13Å; D146-Y213 PolarHBondContact N-OH 3.11Å; D146-Y213 PolarHBondContact O-OH 3.1Å; D146-K217 HydrophobicContact CB-CB 4.46Å; D146-K217 HydrophobicContact CB-CD 4.24Å; D146-K217 HydrophobicContact CB-CG 4.2Å; D146-K217 IonicContact OD2-NZ 3.59Å; D146-K217 PolarHBondContact OD2-NZ 2.61Å
147	P	94.7	Very high	97.3	Very high	78 Å²	78	46 Å²	46	51%	0.506	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-7.7	-179.8	-23	34.8	0	0	0	114.7	K152	P147-K152 PolarHBondContact O-NZ 3.17Å
148	S	96.7	Very high	97.2	Very high	103 Å²	103	41.2 Å²	41.2	72%	0.72	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-17.3	178.4	76	0	0	0	0	113.7	D146	D146-S148 PolarHBondContact O-N 3.25Å; D146-S148 WeakPolarHBondContact OD1-CB 3.45Å; D146-S148 PolarHBondContact OD1-N 2.94Å; D146-S148 PolarHBondContact OD1-OG 2.76Å
149	D	97.2	Very high	97.2	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.107	24%	0.24	C	C	.	.			trans	-75.3	122.7	-179	-165.8	-32.8	0	0	0	111.4	D146 N151 K152 Y213 K217	D146-D149 HydrophobicContact CB-CB 4.24Å; D146-D149 PolarHBondContact O-N 2.79Å; D146-D149 PolarHBondContact OD1-N 2.64Å; D149-N151 PolarHBondContact O-N 2.86Å; D149-N151 VanDerWaalsContact OD1-CB 3.24Å; D149-N151 WeakPolarHBondContact OD1-CB 3.43Å; D149-N151 PolarHBondContact OD1-N 3.02Å; D149-K152 WeakPolarHBondContact O-CD 2.94Å; D149-K152 WeakPolarHBondContact O-CG 3.45Å; D149-K152 PolarHBondContact O-N 3.16Å; D149-Y213 HydrophobicContact CB-CD2 3.9Å; D149-Y213 HydrophobicContact CB-CE2 3.78Å; D149-K217 IonicContact OD2-NZ 3.85Å; D149-K217 PolarHBondContact OD2-NZ 3.24Å
150	P	96.4	Very high	97.2	Very high	92 Å²	92	44.8 Å²	44.8	60%	0.597	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-67.2	-22.5	177.4	29	-36.2	0	0	0	113.3	K152 D153	P150-K152 PolarHBondContact O-N 3.43Å; P150-D153 PolarHBondContact O-N 3.42Å
151	N	97.4	Very high	97.2	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.144	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-66.8	-21.5	-180	-70.9	-13.5	0	0	0	112.5	D149 D153 M154 Q209	D149-N151 PolarHBondContact O-N 2.86Å; D149-N151 VanDerWaalsContact OD1-CB 3.24Å; D149-N151 WeakPolarHBondContact OD1-CB 3.43Å; D149-N151 PolarHBondContact OD1-N 3.02Å; N151-D153 PolarHBondContact O-N 3Å; N151-M154 WeakPolarHBondContact O-CB 3.24Å; N151-M154 PolarHBondContact O-N 3Å; N151-M154 VanDerWaalsContact O-N 3.09Å; N151-Q209 HydrophobicContact CB-CB 4.36Å; N151-Q209 WeakPolarHBondContact CB-O 3.38Å
152	K	96.5	Very high	97.2	Very high	47 Å²	47	43.9 Å²	43.9	20%	0.204	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.3	-33	173.2	84.8	-170.9	177.8	178.3	0	112	P147 D149 P150 M154 V155 Q157 Y213	P147-K152 PolarHBondContact O-NZ 3.17Å; D149-K152 WeakPolarHBondContact O-CD 2.94Å; D149-K152 WeakPolarHBondContact O-CG 3.45Å; D149-K152 PolarHBondContact O-N 3.16Å; P150-K152 PolarHBondContact O-N 3.43Å; K152-M154 PolarHBondContact O-N 2.99Å; K152-V155 PolarHBondContact O-N 2.92Å; K152-Q157 PolarHBondContact O-NE2 3.32Å; K152-Y213 HydrophobicContact CB-CD1 4Å; K152-Y213 HydrophobicContact CB-CD2 4.09Å; K152-Y213 HydrophobicContact CB-CE1 3.59Å; K152-Y213 HydrophobicContact CB-CE2 3.71Å; K152-Y213 HydrophobicContact CB-CG 4.24Å; K152-Y213 VanDerWaalsContact CB-CZ 3.46Å
153	D	96.1	Very high	97.2	Very high	64 Å²	64	49.6 Å²	49.6	34%	0.342	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-75	-8.1	-175.2	-72.3	-13.6	0	0	0	112.1	P150 N151 V155 K537	P150-D153 PolarHBondContact O-N 3.42Å; N151-D153 PolarHBondContact O-N 3Å; D153-V155 VanDerWaalsContact C-N 3.26Å; D153-K537 VanDerWaalsContact O-CD 3.24Å; D153-K537 WeakPolarHBondContact O-CD 3.24Å; D153-K537 WeakPolarHBondContact O-CE 3.44Å; D153-K537 PolarHBondContact O-NZ 2.77Å
154	M	98.3	Very high	97.2	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.138	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-85	5	167.9	-51.4	-53.4	142.2	0	0	112.8	N151 K152 Q206 Q209 K537 I538	N151-M154 WeakPolarHBondContact O-CB 3.24Å; N151-M154 PolarHBondContact O-N 3Å; N151-M154 VanDerWaalsContact O-N 3.09Å; K152-M154 PolarHBondContact O-N 2.99Å; M154-Q206 WeakPolarHBondContact CB-O 3.49Å; M154-Q206 HydrophobicContact SD-CB 4.08Å; M154-Q206 HydrophobicContact SD-CG 3.96Å; M154-Q209 HydrophobicContact CB-CB 4.48Å; M154-Q209 HydrophobicContact CG-CB 3.88Å; M154-K537 CarbonylContact O-C 3.57Å; M154-K537 VanDerWaalsContact O-CA 3.25Å; M154-K537 WeakPolarHBondContact O-CA 3.35Å; M154-I538 PolarHBondContact O-N 2.55Å
155	V	98.5	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-120.4	141.6	171	-170.1	0	0	0	0	108.9	V142 K152 D153 Q157 L214 L541	V142-V155 HydrophobicContact CG1-CB 4.02Å; V142-V155 HydrophobicContact CG1-CG1 3.82Å; K152-V155 PolarHBondContact O-N 2.92Å; D153-V155 VanDerWaalsContact C-N 3.26Å; V155-Q157 PolarHBondContact O-N 2.98Å; V155-Q157 PolarHBondContact O-NE2 3.45Å; V155-L214 HydrophobicContact CG1-CD2 4.47Å; V155-L214 HydrophobicContact CG2-CD1 4.2Å; V155-L214 HydrophobicContact CG2-CD2 4.4Å; V155-L214 HydrophobicContact CG2-CG 4.09Å; V155-L541 HydrophobicContact CG1-CD1 4.23Å
156	V	97.8	Very high	96.9	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-60.1	131.3	-179.4	68.8	0	0	0	0	112.1	L139 F176 E177 L179 I538 A539	L139-V156 HydrophobicContact CD2-CG1 4.27Å; V156-F176 HydrophobicContact CG1-CE1 4.49Å; V156-F176 HydrophobicContact CG2-CB 4.2Å; V156-F176 HydrophobicContact CG2-CD1 3.8Å; V156-F176 HydrophobicContact CG2-CG 4.25Å; V156-E177 HydrophobicContact CG2-CG 4.47Å; V156-L179 HydrophobicContact CB-CD1 4.33Å; V156-L179 HydrophobicContact CG2-CD1 3.88Å; V156-I538 PolarHBondContact N-O 2.84Å; V156-A539 HydrophobicContact CB-CB 4.41Å; V156-A539 HydrophobicContact CG1-CB 4.19Å
157	Q	97.1	Very high	96.5	Very high	29 Å²	29	49.8 Å²	49.8	14%	0.136	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-98.4	125	-173.7	-63	-60.3	-50.3	0	0	112.9	K152 V155 I159 E177	K152-Q157 PolarHBondContact O-NE2 3.32Å; V155-Q157 PolarHBondContact O-N 2.98Å; V155-Q157 PolarHBondContact O-NE2 3.45Å; Q157-I159 PolarHBondContact O-N 2.91Å; Q157-E177 PolarHBondContact N-OE1 3.42Å
158	L	98.1	Very high	96.5	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.5	173.1	-178.7	71.5	0	0	0	110.6	I136 L139 K140 R143 D160 M174 F176	I136-L158 HydrophobicContact CG2-CD2 4.34Å; L139-L158 HydrophobicContact CB-CB 3.9Å; L139-L158 HydrophobicContact CB-CD2 3.94Å; L139-L158 HydrophobicContact CB-CG 4.5Å; L139-L158 HydrophobicContact CD1-CB 4.37Å; L139-L158 HydrophobicContact CD1-CD1 4.41Å; L139-L158 HydrophobicContact CD1-CD2 4.43Å; K140-L158 HydrophobicContact CG-CD2 4.18Å; R143-L158 WeakPolarHBondContact CD-O 3.38Å; R143-L158 PolarHBondContact NH1-O 2.9Å; L158-D160 WeakPolarHBondContact CD1-O 3.07Å; L158-M174 HydrophobicContact CD1-CB 3.83Å; L158-M174 HydrophobicContact CD1-CG 4.13Å; L158-F176 HydrophobicContact CB-CE1 4.25Å; L158-F176 HydrophobicContact CD1-CD1 4.39Å; L158-F176 HydrophobicContact CD1-CE1 3.95Å; L158-F176 HydrophobicContact CD1-CZ 4.14Å
159	I	97.3	Very high	96.4	Very high	46 Å²	46	43.2 Å²	43.2	24%	0.236	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-46.3	-178.6	-58.2	-179.7	0	0	0	111.4	V117 Q157 V175	V117-I159 HydrophobicContact CG1-CD1 3.9Å; Q157-I159 PolarHBondContact O-N 2.91Å; I159-V175 HydrophobicContact CB-CG1 4.32Å; I159-V175 WeakPolarHBondContact CB-O 3.18Å; I159-V175 PolarHBondContact N-O 2.88Å
160	D	98.1	Very high	96.4	Very high	31 Å²	31	47 Å²	47	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.1	-175.2	-163.1	3	0	0	0	110.1	R90 Y91 L158 V175	R90-D160 IonicContact CZ-OD2 3.79Å; R90-D160 IonicContact NH1-OD2 2.69Å; R90-D160 PolarHBondContact NH1-OD2 3.43Å; Y91-D160 HydrophobicContact CE2-CB 4.33Å; Y91-D160 WeakPolarHBondContact CE2-OD2 3.29Å; Y91-D160 WeakPolarHBondContact OH-CB 3.44Å; Y91-D160 PolarHBondContact OH-OD2 3.44Å; Y91-D160 VanDerWaalsContact OH-OD2 3.04Å; L158-D160 WeakPolarHBondContact CD1-O 3.07Å; D160-V175 HydrophobicContact CB-CB 4.05Å; D160-V175 HydrophobicContact CB-CG2 4.17Å; D160-V175 PolarHBondContact N-O 2.89Å; D160-V175 PolarHBondContact O-N 3.4Å
161	D	98.3	Very high	96.5	Very high	49 Å²	49	42.6 Å²	42.6	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.2	175	64.7	-72.9	0	0	0	111.6	I136 K140 C173	I136-D161 HydrophobicContact CD1-CB 3.9Å; I136-D161 HydrophobicContact CG1-CB 4.3Å; I136-D161 HydrophobicContact CG2-CB 4.49Å; K140-D161 WeakPolarHBondContact CE-OD1 3.28Å; K140-D161 IonicContact NZ-OD1 3.52Å; K140-D161 PolarHBondContact NZ-OD1 2.9Å; K140-D161 IonicContact NZ-OD2 2.89Å; K140-D161 PolarHBondContact NZ-OD2 3.25Å; D161-C173 WeakPolarHBondContact CA-O 3.47Å
162	F	98.4	Very high	96.5	Very high	22 Å²	22	41.4 Å²	41.4	10%	0.096	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	174.2	-178.2	58.7	-90	0	0	0	111.6	F87 N88 Y91 M119 I164 C173 V175	F87-F162 HydrophobicContact CB-CE2 4.01Å; F87-F162 HydrophobicContact CB-CZ 3.96Å; N88-F162 HydrophobicContact CB-CD1 4.02Å; N88-F162 HydrophobicContact CB-CD2 4.09Å; N88-F162 HydrophobicContact CB-CE1 4.04Å; N88-F162 HydrophobicContact CB-CE2 4.12Å; N88-F162 HydrophobicContact CB-CG 4.05Å; N88-F162 HydrophobicContact CB-CZ 4.1Å; Y91-F162 AromaticContact CD2-CE1 3.61Å; Y91-F162 HydrophobicContact CD2-CE1 3.61Å; Y91-F162 AromaticContact CD2-CZ 3.99Å; Y91-F162 HydrophobicContact CD2-CZ 3.99Å; Y91-F162 HydrophobicContact CE2-CD1 4.36Å; Y91-F162 AromaticContact CE2-CE1 3.68Å; Y91-F162 HydrophobicContact CE2-CE1 3.68Å; Y91-F162 HydrophobicContact CE2-CZ 4.5Å; M119-F162 HydrophobicContact SD-CZ 3.94Å; F162-I164 HydrophobicContact CD2-CG2 3.79Å; F162-I164 HydrophobicContact CE2-CG2 3.6Å; F162-C173 HydrophobicContact CD1-CB 4.34Å; F162-C173 HydrophobicContact CD2-CB 3.76Å; F162-C173 HydrophobicContact CE1-CB 4.08Å; F162-C173 HydrophobicContact CE2-CB 3.46Å; F162-C173 VanDerWaalsContact CE2-CB 3.46Å; F162-C173 HydrophobicContact CG-CB 4.19Å; F162-C173 HydrophobicContact CZ-CB 3.63Å; F162-C173 PolarHBondContact N-O 3.37Å; F162-C173 PolarHBondContact O-N 2.96Å; F162-V175 HydrophobicContact CE1-CG2 3.75Å
163	K	97.9	Very high	96.6	Very high	119 Å²	119	39.2 Å²	39.2	52%	0.517	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.4	177.1	-63.7	-174.8	-178.1	-176.8	0	110.7	I170 H171	K163-I170 HydrophobicContact CB-CG2 3.95Å; K163-I170 HydrophobicContact CD-CG2 4.15Å; K163-I170 HydrophobicContact CG-CG2 4.44Å; K163-H171 WeakPolarHBondContact CA-O 3.34Å
164	I	96.3	Very high	96.8	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.9	176.9	64.4	174.3	0	0	0	110.1	H79 F87 V121 F162 I170 H171	H79-I164 HydrophobicContact CB-CD1 4.33Å; F87-I164 HydrophobicContact CD1-CD1 4.22Å; F87-I164 HydrophobicContact CD1-CG2 3.82Å; F87-I164 HydrophobicContact CE1-CD1 3.74Å; F87-I164 HydrophobicContact CE1-CG2 4.31Å; V121-I164 HydrophobicContact CG1-CD1 4.02Å; F162-I164 HydrophobicContact CD2-CG2 3.79Å; F162-I164 HydrophobicContact CE2-CG2 3.6Å; I164-I170 CarbonylContact O-C 3.55Å; I164-I170 WeakPolarHBondContact O-CA 3.32Å; I164-H171 HydrophobicContact CD1-CB 4.23Å; I164-H171 HydrophobicContact CG1-CB 3.75Å; I164-H171 PolarHBondContact N-O 3.38Å; I164-H171 PolarHBondContact O-N 2.82Å
165	S	95.4	Very high	96.8	Very high	110 Å²	110	34.8 Å²	34.8	77%	0.769	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.4	173.6	-173.1	0	0	0	0	109.7
166	G	90.9	Very high	96.8	Very high	20 Å²	20	35.7 Å²	35.7	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	173.1	179.5	0	0	0	0	0	112.3	N168 G169	G166-N168 PolarHBondContact O-N 3.49Å; G166-N168 VanDerWaalsContact O-N 3.16Å; G166-G169 PolarHBondContact N-O 2.88Å; G166-G169 PolarHBondContact O-N 2.97Å; G166-G169 VanDerWaalsContact O-N 3.15Å; G166-G169 VanDerWaalsContact O-O 3.13Å
167	M	90.1	Very high	96.7	Very high	131 Å²	131	37 Å²	37	65%	0.645	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	177.9	58.9	-179.2	53.8	0	0	113.9	P80 Q268	P80-M167 HydrophobicContact CG-SD 4.43Å; M167-Q268 HydrophobicContact CE-CG 4.41Å; M167-Q268 VanDerWaalsContact CE-NE2 3.28Å
168	N	93.8	Very high	96.7	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.08	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.1	-178.1	-69.7	-12.5	0	0	0	113.1	Y73 C74 G76 Y78 S124 G166	Y73-N168 PolarHBondContact O-ND2 3.36Å; C74-N168 VanDerWaalsContact C-CG 3.43Å; C74-N168 VanDerWaalsContact O-CB 3.24Å; C74-N168 WeakPolarHBondContact O-CB 3.25Å; C74-N168 PolarHBondContact O-ND2 2.94Å; C74-N168 PolarHBondContact O-OD1 3.43Å; G76-N168 PolarHBondContact N-O 2.75Å; Y78-N168 PolarHBondContact O-ND2 2.75Å; S124-N168 VanDerWaalsContact OG-C 3.3Å; S124-N168 PolarHBondContact OG-O 2.91Å; G166-N168 PolarHBondContact O-N 3.49Å; G166-N168 VanDerWaalsContact O-N 3.16Å
169	G	95.2	Very high	96.6	Very high	28 Å²	28	37.3 Å²	37.3	29%	0.289	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	139.8	-163.4	180	0	0	0	0	0	112.6	G166 H171	G166-G169 PolarHBondContact N-O 2.88Å; G166-G169 PolarHBondContact O-N 2.97Å; G166-G169 VanDerWaalsContact O-N 3.15Å; G166-G169 VanDerWaalsContact O-O 3.13Å; G169-H171 PolarHBondContact O-CD2 3.42Å
170	I	97.2	Very high	96.4	Very high	99 Å²	99	35.9 Å²	35.9	51%	0.508	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.5	168	-60	173.8	0	0	0	107.3	S124 K163 I164	S124-I170 VanDerWaalsContact CB-O 3.27Å; S124-I170 WeakPolarHBondContact CB-O 3.35Å; K163-I170 HydrophobicContact CB-CG2 3.95Å; K163-I170 HydrophobicContact CD-CG2 4.15Å; K163-I170 HydrophobicContact CG-CG2 4.44Å; I164-I170 CarbonylContact O-C 3.55Å; I164-I170 WeakPolarHBondContact O-CA 3.32Å
171	H	98.1	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.7	177.4	-53	-105.1	0	0	0	110	G77 H79 V121 V122 S124 K163 I164 G169	G77-H171 PolarHBondContact O-CE1 2.81Å; H79-H171 AromaticContact CG-CD2 3.94Å; H79-H171 AromaticContact CG-NE2 3.86Å; H79-H171 PolarHBondContact N-CE1 3.3Å; H79-H171 AromaticContact ND1-CD2 3.18Å; H79-H171 PolarHBondContact ND1-CD2 2.97Å; H79-H171 AromaticContact ND1-CE1 3.95Å; H79-H171 AromaticContact ND1-CG 3.93Å; H79-H171 AromaticContact ND1-NE2 3.16Å; H79-H171 PolarHBondContact ND1-NE2 3.24Å; H79-H171 VanDerWaalsContact ND1-NE2 3.16Å; V121-H171 HydrophobicContact CG1-CB 4.32Å; V122-H171 WeakPolarHBondContact O-CB 3.47Å; V122-H171 PolarHBondContact O-ND1 3.41Å; S124-H171 VanDerWaalsContact CB-CE1 3.44Å; S124-H171 WeakPolarHBondContact CB-CE1 3.36Å; S124-H171 PolarHBondContact OG-CE1 3.09Å; K163-H171 WeakPolarHBondContact CA-O 3.34Å; I164-H171 HydrophobicContact CD1-CB 4.23Å; I164-H171 HydrophobicContact CG1-CB 3.75Å; I164-H171 PolarHBondContact N-O 3.38Å; I164-H171 PolarHBondContact O-N 2.82Å; G169-H171 PolarHBondContact O-CD2 3.42Å
172	V	98.3	Very high	95.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136	169.6	-179.8	0	0	0	0	108.9	V122 T129 A132 I136 M174	V122-V172 HydrophobicContact CB-CB 4.47Å; V122-V172 HydrophobicContact CG2-CB 4.42Å; V122-V172 PolarHBondContact N-O 2.86Å; T129-V172 HydrophobicContact CG2-CG2 4Å; A132-V172 HydrophobicContact CB-CB 4.1Å; A132-V172 HydrophobicContact CB-CG1 4.05Å; A132-V172 HydrophobicContact CB-CG2 4.33Å; I136-V172 HydrophobicContact CD1-CG1 3.51Å; V172-M174 HydrophobicContact CG1-CG 4.5Å
173	C	98.5	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.5	175.3	-63.2	0	0	0	0	109.2	K120 D161 F162	K120-C173 WeakPolarHBondContact O-CA 3.39Å; D161-C173 WeakPolarHBondContact CA-O 3.47Å; F162-C173 HydrophobicContact CD1-CB 4.34Å; F162-C173 HydrophobicContact CD2-CB 3.76Å; F162-C173 HydrophobicContact CE1-CB 4.08Å; F162-C173 HydrophobicContact CE2-CB 3.46Å; F162-C173 VanDerWaalsContact CE2-CB 3.46Å; F162-C173 HydrophobicContact CG-CB 4.19Å; F162-C173 HydrophobicContact CZ-CB 3.63Å; F162-C173 PolarHBondContact N-O 3.37Å; F162-C173 PolarHBondContact O-N 2.96Å
174	M	98.6	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.2	174.9	-68.8	171.7	-82.2	0	0	109.3	M119 K120 V122 A132 E135 I136 L139 L158 V172 F176	M119-M174 CarbonylContact C-O 3.59Å; M119-M174 WeakPolarHBondContact CA-O 3.23Å; K120-M174 HydrophobicContact CB-CB 4.43Å; K120-M174 HydrophobicContact CD-CE 3.81Å; K120-M174 HydrophobicContact CG-CE 4.21Å; K120-M174 PolarHBondContact N-O 2.87Å; K120-M174 PolarHBondContact O-N 3.19Å; V122-M174 HydrophobicContact CG2-CE 3.75Å; A132-M174 HydrophobicContact CB-CE 4.23Å; E135-M174 HydrophobicContact CG-SD 4.31Å; I136-M174 HydrophobicContact CD1-CG 3.79Å; I136-M174 HydrophobicContact CD1-SD 4.17Å; I136-M174 HydrophobicContact CG1-CG 3.67Å; I136-M174 HydrophobicContact CG1-SD 3.62Å; L139-M174 HydrophobicContact CD1-SD 4.19Å; L158-M174 HydrophobicContact CD1-CB 3.83Å; L158-M174 HydrophobicContact CD1-CG 4.13Å; V172-M174 HydrophobicContact CG1-CG 4.5Å; M174-F176 HydrophobicContact CB-CD2 4.38Å; M174-F176 HydrophobicContact CB-CE2 3.51Å; M174-F176 HydrophobicContact CB-CZ 3.77Å; M174-F176 HydrophobicContact SD-CZ 4.14Å
175	V	98.5	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127	-177.7	-175	0	0	0	0	109.8	Y91 V117 A118 M119 I159 D160 F162	Y91-V175 HydrophobicContact CD1-CG1 4.44Å; Y91-V175 HydrophobicContact CD2-CG2 4.23Å; Y91-V175 HydrophobicContact CE1-CG1 3.79Å; Y91-V175 HydrophobicContact CE1-CG2 4.34Å; Y91-V175 HydrophobicContact CE2-CG2 3.8Å; V117-V175 HydrophobicContact CB-CG1 3.59Å; V117-V175 HydrophobicContact CG1-CG1 4Å; V117-V175 HydrophobicContact CG2-CG1 3.61Å; A118-V175 WeakPolarHBondContact O-CA 3.18Å; M119-V175 HydrophobicContact CG-CG2 4.38Å; I159-V175 HydrophobicContact CB-CG1 4.32Å; I159-V175 WeakPolarHBondContact CB-O 3.18Å; I159-V175 PolarHBondContact N-O 2.88Å; D160-V175 HydrophobicContact CB-CB 4.05Å; D160-V175 HydrophobicContact CB-CG2 4.17Å; D160-V175 PolarHBondContact N-O 2.89Å; D160-V175 PolarHBondContact O-N 3.4Å; F162-V175 HydrophobicContact CE1-CG2 3.75Å
176	F	98.3	Very high	95.7	Very high	19 Å²	19	26.8 Å²	26.8	8%	0.083	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	169	-175.9	-58.4	-81.3	0	0	0	111.3	V117 A118 K120 L139 V156 L158 M174	V117-F176 CarbonylContact C-O 3.52Å; V117-F176 WeakPolarHBondContact CA-O 3.28Å; V117-F176 WeakPolarHBondContact CB-O 3.43Å; A118-F176 PolarHBondContact N-O 2.91Å; A118-F176 PolarHBondContact O-N 2.88Å; K120-F176 HydrophobicContact CB-CD2 4.37Å; K120-F176 HydrophobicContact CB-CE2 3.89Å; K120-F176 HydrophobicContact CD-CE2 4.07Å; L139-F176 HydrophobicContact CD1-CE1 3.64Å; L139-F176 HydrophobicContact CD1-CZ 3.73Å; L139-F176 HydrophobicContact CD2-CE1 4.09Å; V156-F176 HydrophobicContact CG1-CE1 4.49Å; V156-F176 HydrophobicContact CG2-CB 4.2Å; V156-F176 HydrophobicContact CG2-CD1 3.8Å; V156-F176 HydrophobicContact CG2-CG 4.25Å; L158-F176 HydrophobicContact CB-CE1 4.25Å; L158-F176 HydrophobicContact CD1-CD1 4.39Å; L158-F176 HydrophobicContact CD1-CE1 3.95Å; L158-F176 HydrophobicContact CD1-CZ 4.14Å; M174-F176 HydrophobicContact CB-CD2 4.38Å; M174-F176 HydrophobicContact CB-CE2 3.51Å; M174-F176 HydrophobicContact CB-CZ 3.77Å; M174-F176 HydrophobicContact SD-CZ 4.14Å
177	E	96.4	Very high	95.9	Very high	36 Å²	36	25.9 Å²	25.9	17%	0.168	14%	0.139	C	C	.	.			trans	-59.8	156.1	161.2	64.7	-160.2	134.2	0	0	111.8	V156 Q157 L179 K537	V156-E177 HydrophobicContact CG2-CG 4.47Å; Q157-E177 PolarHBondContact N-OE1 3.42Å; E177-L179 HydrophobicContact CG-CD1 4.43Å; E177-L179 HydrophobicContact CG-CD2 4.23Å; E177-L179 HydrophobicContact CG-CG 4.13Å; E177-K537 WeakPolarHBondContact OE1-CE 3.49Å; E177-K537 IonicContact OE1-NZ 3.37Å; E177-K537 PolarHBondContact OE1-NZ 3.06Å; E177-K537 WeakPolarHBondContact OE2-CE 3.41Å; E177-K537 IonicContact OE2-NZ 3.47Å; E177-K537 PolarHBondContact OE2-NZ 3.22Å
178	V	96.5	Very high	96.1	Very high	17 Å²	17	21.1 Å²	21.1	10%	0.103	12%	0.116	C	C	.	.			trans	-83	121.3	175.5	-176.8	0	0	0	0	108.8	L107 F116 V117 V234 V239	L107-V178 HydrophobicContact CD1-CG1 4.16Å; L107-V178 HydrophobicContact CD1-CG2 3.68Å; F116-V178 HydrophobicContact CB-CG2 3.95Å; V117-V178 VanDerWaalsContact C-CG2 3.5Å; V178-V234 HydrophobicContact CG1-CG2 4.49Å; V178-V239 HydrophobicContact CB-CG1 4.27Å; V178-V239 HydrophobicContact CB-CG2 4.17Å; V178-V239 HydrophobicContact CG1-CG1 4.01Å; V178-V239 HydrophobicContact CG1-CG2 3.8Å; V178-V239 HydrophobicContact CG2-CG1 4.18Å
179	L	96	Very high	96.1	Very high	22 Å²	22	24.6 Å²	24.6	12%	0.115	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	162.9	172.5	-61.6	171.7	0	0	0	109.5	V156 E177 L231 C233 K537	V156-L179 HydrophobicContact CB-CD1 4.33Å; V156-L179 HydrophobicContact CG2-CD1 3.88Å; E177-L179 HydrophobicContact CG-CD1 4.43Å; E177-L179 HydrophobicContact CG-CD2 4.23Å; E177-L179 HydrophobicContact CG-CG 4.13Å; L179-L231 HydrophobicContact CB-CB 4.01Å; L179-L231 HydrophobicContact CB-CD1 4.04Å; L179-L231 HydrophobicContact CD1-CB 3.96Å; L179-L231 HydrophobicContact CD1-CD1 3.75Å; L179-L231 HydrophobicContact CD1-CG 4.49Å; L179-C233 HydrophobicContact CD2-CB 4.41Å; L179-K537 HydrophobicContact CD1-CB 4.32Å; L179-K537 HydrophobicContact CD1-CD 4.33Å; L179-K537 HydrophobicContact CD2-CD 4.19Å; L179-K537 HydrophobicContact CD2-CG 4.4Å
180	G	93.3	Very high	96	Very high	17 Å²	17	24.1 Å²	24.1	18%	0.175	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-149.3	178.1	0	0	0	0	0	112.7	M232	G180-M232 WeakPolarHBondContact CA-O 3.25Å; G180-M232 PolarHBondContact N-O 3.4Å
181	H	92.3	Very high	96	Very high	48 Å²	48	24.9 Å²	24.9	22%	0.222	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.6	-180	-56.4	-58.3	0	0	0	112.7	K185 M232	H181-K185 HydrophobicContact CB-CB 4.3Å; H181-K185 HydrophobicContact CB-CD 4.48Å; H181-M232 PolarHBondContact O-N 3.13Å
182	H	94.9	Very high	95.9	Very high	47 Å²	47	30.1 Å²	30.1	22%	0.218	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	159.9	166.3	56.2	99.2	0	0	0	111.6	L184 K185 E228 I230 L231	H182-L184 PolarHBondContact O-N 2.88Å; H182-K185 PolarHBondContact O-N 3.43Å; H182-E228 WeakPolarHBondContact CB-O 3.33Å; H182-I230 VanDerWaalsContact CA-O 3.28Å; H182-I230 WeakPolarHBondContact CA-O 3.45Å; H182-L231 HydrophobicContact CB-CD2 3.74Å
183	L	97.4	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.5	-175.8	-63.3	-179.4	0	0	0	113.6	K185 W186 I187 I203 P227 I230 M232 V536 L587	L183-K185 PolarHBondContact O-N 3.28Å; L183-W186 CarbonylContact O-C 3.52Å; L183-W186 WeakPolarHBondContact O-CA 3.44Å; L183-W186 WeakPolarHBondContact O-CB 3.44Å; L183-W186 PolarHBondContact O-N 3.47Å; L183-I187 PolarHBondContact O-N 2.86Å; L183-I203 HydrophobicContact CD1-CD1 4.41Å; L183-I203 HydrophobicContact CD1-CG2 3.56Å; L183-I203 HydrophobicContact CD2-CD1 4.04Å; L183-P227 HydrophobicContact CB-CB 3.95Å; L183-P227 WeakPolarHBondContact CB-O 3.29Å; L183-P227 PolarHBondContact N-O 2.99Å; L183-I230 HydrophobicContact CD1-CB 3.79Å; L183-I230 HydrophobicContact CD1-CG2 3.61Å; L183-I230 HydrophobicContact CG-CB 4.1Å; L183-I230 HydrophobicContact CG-CG2 4.04Å; L183-I230 PolarHBondContact N-O 3.29Å; L183-I230 VanDerWaalsContact N-O 3.12Å; L183-M232 HydrophobicContact CD2-CG 4.08Å; L183-V536 HydrophobicContact CD2-CG1 4.41Å; L183-L587 HydrophobicContact CB-CD2 4Å; L183-L587 HydrophobicContact CD1-CD1 3.88Å; L183-L587 HydrophobicContact CD1-CD2 3.93Å
184	L	95.6	Very high	95.7	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.178	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-36.1	175.6	-179.9	62.6	0	0	0	112	H182 W186 I187 I188 P227 E228	H182-L184 PolarHBondContact O-N 2.88Å; L184-W186 PolarHBondContact O-N 3.01Å; L184-I187 HydrophobicContact CD1-CB 4.38Å; L184-I187 HydrophobicContact CD1-CD1 4.48Å; L184-I187 PolarHBondContact O-N 3.34Å; L184-I187 VanDerWaalsContact O-N 3.15Å; L184-I188 HydrophobicContact CD1-CD1 4.49Å; L184-I188 HydrophobicContact CD1-CG1 4.44Å; L184-I188 HydrophobicContact CG-CD1 4.07Å; L184-I188 HydrophobicContact CG-CG1 4.49Å; L184-I188 WeakPolarHBondContact O-CG1 3.49Å; L184-I188 PolarHBondContact O-N 3.37Å; L184-P227 HydrophobicContact CB-CB 4.04Å; L184-P227 PolarHBondContact N-O 2.98Å; L184-E228 HydrophobicContact CB-CG 4.14Å; L184-E228 HydrophobicContact CD2-CG 3.69Å
185	K	93.5	Very high	95.7	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-18.1	175.8	-165.5	152.4	-168.6	156.6	0	113.2	D63 D64 H181 H182 L183 K189	D63-K185 IonicContact OD2-NZ 3.72Å; D63-K185 PolarHBondContact OD2-NZ 2.85Å; D64-K185 IonicContact OD1-NZ 3.06Å; D64-K185 PolarHBondContact OD1-NZ 2.85Å; D64-K185 VanDerWaalsContact OD2-CE 3.28Å; D64-K185 WeakPolarHBondContact OD2-CE 3.4Å; D64-K185 IonicContact OD2-NZ 2.75Å; D64-K185 PolarHBondContact OD2-NZ 2.95Å; H181-K185 HydrophobicContact CB-CB 4.3Å; H181-K185 HydrophobicContact CB-CD 4.48Å; H182-K185 PolarHBondContact O-N 3.43Å; L183-K185 PolarHBondContact O-N 3.28Å; K185-K189 WeakPolarHBondContact O-CD 3.39Å; K185-K189 VanDerWaalsContact O-CG 3.24Å; K185-K189 WeakPolarHBondContact O-CG 3.47Å; K185-K189 PolarHBondContact O-N 3.21Å
186	W	95.4	Very high	95.6	Very high	14 Å²	14	39.3 Å²	39.3	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-91.9	-30.3	171.1	-67.3	107.7	0	0	0	113.2	L183 L184 K189 S190 L195 M232 N524 P525 L526	L183-W186 CarbonylContact O-C 3.52Å; L183-W186 WeakPolarHBondContact O-CA 3.44Å; L183-W186 WeakPolarHBondContact O-CB 3.44Å; L183-W186 PolarHBondContact O-N 3.47Å; L184-W186 PolarHBondContact O-N 3.01Å; W186-K189 HydrophobicContact CD2-CD 4.31Å; W186-K189 HydrophobicContact CE3-CB 4.3Å; W186-K189 HydrophobicContact CE3-CD 3.63Å; W186-K189 HydrophobicContact CZ3-CD 3.77Å; W186-K189 CarbonylContact O-C 3.55Å; W186-K189 PolarHBondContact O-N 3.49Å; W186-S190 PolarHBondContact O-N 2.9Å; W186-L195 HydrophobicContact CB-CD2 4.31Å; W186-M232 PolarHBondContact NE1-SD 3.07Å; W186-N524 WeakPolarHBondContact CZ3-OD1 3.43Å; W186-P525 HydrophobicContact CB-CG 3.99Å; W186-P525 HydrophobicContact CD2-CG 3.47Å; W186-P525 VanDerWaalsContact CD2-CG 3.47Å; W186-P525 HydrophobicContact CE3-CG 3.79Å; W186-P525 HydrophobicContact CG-CG 3.57Å; W186-P525 HydrophobicContact CZ2-CG 4.48Å; W186-P525 HydrophobicContact CZ3-CG 4.41Å; W186-L526 HydrophobicContact CE3-CD1 4.39Å; W186-L526 HydrophobicContact CE3-CG 4.41Å
187	I	95.6	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-46.3	168.3	-60	173.1	0	0	0	109.7	L183 L184 K189 S190 N191 Y192 P227 E586 L587	L183-I187 PolarHBondContact O-N 2.86Å; L184-I187 HydrophobicContact CD1-CB 4.38Å; L184-I187 HydrophobicContact CD1-CD1 4.48Å; L184-I187 PolarHBondContact O-N 3.34Å; L184-I187 VanDerWaalsContact O-N 3.15Å; I187-K189 PolarHBondContact O-N 2.98Å; I187-S190 WeakPolarHBondContact O-CB 3.31Å; I187-S190 PolarHBondContact O-N 3.03Å; I187-S190 PolarHBondContact O-OG 3.49Å; I187-N191 PolarHBondContact O-N 3.07Å; I187-Y192 HydrophobicContact CG2-CD1 3.73Å; I187-Y192 HydrophobicContact CG2-CE1 4.14Å; I187-Y192 HydrophobicContact CG2-CG 4.45Å; I187-Y192 PolarHBondContact O-N 2.93Å; I187-P227 HydrophobicContact CD1-CB 3.83Å; I187-P227 HydrophobicContact CD1-CG 3.75Å; I187-E586 HydrophobicContact CD1-CG 4.23Å; I187-E586 WeakPolarHBondContact CD1-OE1 3.35Å; I187-L587 HydrophobicContact CD1-CD2 3.9Å; I187-L587 HydrophobicContact CG1-CD2 4.08Å
188	I	93.9	Very high	95.6	Very high	32 Å²	32	46.6 Å²	46.6	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-57.2	-47.3	173.1	-66.7	163.9	0	0	0	110.8	L60 L184 S190 N191 Y192	L60-I188 WeakPolarHBondContact O-CG2 3.45Å; L184-I188 HydrophobicContact CD1-CD1 4.49Å; L184-I188 HydrophobicContact CD1-CG1 4.44Å; L184-I188 HydrophobicContact CG-CD1 4.07Å; L184-I188 HydrophobicContact CG-CG1 4.49Å; L184-I188 WeakPolarHBondContact O-CG1 3.49Å; L184-I188 PolarHBondContact O-N 3.37Å; I188-S190 PolarHBondContact O-N 3.36Å; I188-N191 WeakPolarHBondContact O-CA 3.48Å; I188-N191 PolarHBondContact O-N 2.85Å; I188-Y192 HydrophobicContact CG1-CE2 4.45Å
189	K	93.5	Very high	95.6	Very high	88 Å²	88	45.8 Å²	45.8	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-66.5	-18.9	175.8	-75.1	174.4	179.2	-177.7	0	114.7	K185 W186 I187 N191 L526	K185-K189 WeakPolarHBondContact O-CD 3.39Å; K185-K189 VanDerWaalsContact O-CG 3.24Å; K185-K189 WeakPolarHBondContact O-CG 3.47Å; K185-K189 PolarHBondContact O-N 3.21Å; W186-K189 HydrophobicContact CD2-CD 4.31Å; W186-K189 HydrophobicContact CE3-CB 4.3Å; W186-K189 HydrophobicContact CE3-CD 3.63Å; W186-K189 HydrophobicContact CZ3-CD 3.77Å; W186-K189 CarbonylContact O-C 3.55Å; W186-K189 PolarHBondContact O-N 3.49Å; I187-K189 PolarHBondContact O-N 2.98Å; K189-N191 PolarHBondContact O-N 2.95Å; K189-L526 HydrophobicContact CB-CD1 4.27Å
190	S	95	Very high	95.8	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.9	169.4	80.5	0	0	0	0	112.8	W186 I187 I188 Y192 Q193 G194	W186-S190 PolarHBondContact O-N 2.9Å; I187-S190 WeakPolarHBondContact O-CB 3.31Å; I187-S190 PolarHBondContact O-N 3.03Å; I187-S190 PolarHBondContact O-OG 3.49Å; I188-S190 PolarHBondContact O-N 3.36Å; S190-Y192 VanDerWaalsContact C-N 3.28Å; S190-Y192 PolarHBondContact OG-N 2.91Å; S190-Q193 WeakPolarHBondContact O-CB 3.42Å; S190-Q193 VanDerWaalsContact O-CG 3.26Å; S190-Q193 WeakPolarHBondContact O-CG 3.28Å; S190-Q193 PolarHBondContact O-N 2.84Å; S190-Q193 PolarHBondContact OG-N 3.49Å; S190-Q193 VanDerWaalsContact OG-N 3.09Å; S190-G194 VanDerWaalsContact CB-O 3.24Å; S190-G194 WeakPolarHBondContact CB-O 3.4Å; S190-G194 PolarHBondContact OG-N 2.63Å
191	N	95.9	Very high	96	Very high	115 Å²	115	44.9 Å²	44.9	62%	0.615	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	44.1	-164.4	-167.4	50.8	0	0	0	112	I187 I188 K189 Q193	I187-N191 PolarHBondContact O-N 3.07Å; I188-N191 WeakPolarHBondContact O-CA 3.48Å; I188-N191 PolarHBondContact O-N 2.85Å; K189-N191 PolarHBondContact O-N 2.95Å; N191-Q193 PolarHBondContact O-N 3.27Å; N191-Q193 PolarHBondContact O-NE2 2.92Å; N191-Q193 VanDerWaalsContact O-NE2 3.1Å
192	Y	95.7	Very high	96.3	Very high	111 Å²	111	42.8 Å²	42.8	44%	0.435	20%	0.202	S	C	.	.	S	Bend	trans	50.9	41.6	-177	-56.9	-93.7	0	0	0	113	I187 I188 S190	I187-Y192 HydrophobicContact CG2-CD1 3.73Å; I187-Y192 HydrophobicContact CG2-CE1 4.14Å; I187-Y192 HydrophobicContact CG2-CG 4.45Å; I187-Y192 PolarHBondContact O-N 2.93Å; I188-Y192 HydrophobicContact CG1-CE2 4.45Å; S190-Y192 VanDerWaalsContact C-N 3.28Å; S190-Y192 PolarHBondContact OG-N 2.91Å
193	Q	96.8	Very high	96.5	Very high	144 Å²	144	40.6 Å²	40.6	67%	0.673	19%	0.192	S	C	*	.	S	Bend	trans	-104.5	5.2	173.8	-56.3	-57.9	-80.6	0	0	112.6	S190 N191	S190-Q193 WeakPolarHBondContact O-CB 3.42Å; S190-Q193 VanDerWaalsContact O-CG 3.26Å; S190-Q193 WeakPolarHBondContact O-CG 3.28Å; S190-Q193 PolarHBondContact O-N 2.84Å; S190-Q193 PolarHBondContact OG-N 3.49Å; S190-Q193 VanDerWaalsContact OG-N 3.09Å; N191-Q193 PolarHBondContact O-N 3.27Å; N191-Q193 PolarHBondContact O-NE2 2.92Å; N191-Q193 VanDerWaalsContact O-NE2 3.1Å
194	G	96.6	Very high	96.5	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	19%	0.192	C	C	.	.			trans	79.2	179.6	-175.3	0	0	0	0	0	113.9	S190	S190-G194 VanDerWaalsContact CB-O 3.24Å; S190-G194 WeakPolarHBondContact CB-O 3.4Å; S190-G194 PolarHBondContact OG-N 2.63Å
195	L	98.1	Very high	96.7	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	20%	0.196	C	C	.	.			trans	-105.2	154.9	175	-53.4	179.6	0	0	0	110	W186 V197 V200 I203 L526 L587	W186-L195 HydrophobicContact CB-CD2 4.31Å; L195-V197 PolarHBondContact O-N 2.88Å; L195-V200 HydrophobicContact CB-CG2 3.94Å; L195-I203 HydrophobicContact CD1-CD1 3.86Å; L195-L526 HydrophobicContact CD2-CD2 3.56Å; L195-L587 WeakPolarHBondContact CB-O 3.24Å; L195-L587 HydrophobicContact CD1-CD2 3.79Å; L195-L587 PolarHBondContact N-O 2.93Å
196	P	97.9	Very high	96.9	Very high	35 Å²	35	42.3 Å²	42.3	23%	0.227	20%	0.196	C	C	.	.			trans	-55.7	131.3	174	-21.7	31	0	0	0	111.6	R198 C199 V200 P525 L526 P528	P196-R198 PolarHBondContact O-N 3.1Å; P196-C199 WeakPolarHBondContact O-CA 3.49Å; P196-C199 VanDerWaalsContact O-CB 3.25Å; P196-C199 WeakPolarHBondContact O-CB 3.38Å; P196-C199 PolarHBondContact O-N 3.39Å; P196-V200 PolarHBondContact O-N 3.04Å; P196-V200 VanDerWaalsContact O-N 3.17Å; P196-P525 WeakPolarHBondContact CD-O 3.39Å; P196-L526 WeakPolarHBondContact CG-O 3.05Å; P196-P528 HydrophobicContact CB-CB 3.88Å; P196-P528 HydrophobicContact CG-CB 4.37Å
197	V	96.8	Very high	97.1	Very high	42 Å²	42	41.7 Å²	41.7	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-53.7	-33.9	-170.9	-177	0	0	0	0	113.5	L195 C199 V200 K201 W661 W695	L195-V197 PolarHBondContact O-N 2.88Å; V197-C199 VanDerWaalsContact C-N 3.33Å; V197-C199 PolarHBondContact O-N 2.85Å; V197-V200 PolarHBondContact O-N 2.95Å; V197-K201 WeakPolarHBondContact O-CG 3.44Å; V197-K201 PolarHBondContact O-N 3.16Å; V197-W661 HydrophobicContact CG1-CH2 4.43Å; V197-W661 HydrophobicContact CG2-CH2 3.61Å; V197-W661 HydrophobicContact CG2-CZ2 3.96Å; V197-W661 HydrophobicContact CG2-CZ3 4.24Å; V197-W695 HydrophobicContact CG1-CZ2 3.9Å
198	R	96.6	Very high	97.2	Very high	167 Å²	167	41.7 Å²	41.7	63%	0.63	19%	0.194	S	C	*	.	H	α-helix	trans	-61.1	-38.7	173.5	-69.4	-173.5	173.5	-161.5	-4.5	113.3	P196 S202 A531	P196-R198 PolarHBondContact O-N 3.1Å; R198-S202 PolarHBondContact O-N 3.19Å; R198-A531 HydrophobicContact CB-CB 3.97Å
199	C	98.1	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-42.7	174	-59.6	0	0	0	0	110.6	P196 V197 K201 S202 I203 P525 I534	P196-C199 WeakPolarHBondContact O-CA 3.49Å; P196-C199 VanDerWaalsContact O-CB 3.25Å; P196-C199 WeakPolarHBondContact O-CB 3.38Å; P196-C199 PolarHBondContact O-N 3.39Å; V197-C199 VanDerWaalsContact C-N 3.33Å; V197-C199 PolarHBondContact O-N 2.85Å; C199-K201 PolarHBondContact O-N 2.79Å; C199-S202 PolarHBondContact O-N 3.02Å; C199-I203 WeakPolarHBondContact O-CB 3.34Å; C199-I203 VanDerWaalsContact O-CG1 3.27Å; C199-I203 WeakPolarHBondContact O-CG1 3.5Å; C199-I203 PolarHBondContact O-N 3.48Å; C199-P525 PolarHBondContact SG-O 3.4Å; C199-I534 HydrophobicContact CB-CD1 3.54Å
200	V	98.5	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-48.2	175.8	-172.7	0	0	0	0	111.3	L195 P196 V197 S202 I203 I204 L587 A588 W695	L195-V200 HydrophobicContact CB-CG2 3.94Å; P196-V200 PolarHBondContact O-N 3.04Å; P196-V200 VanDerWaalsContact O-N 3.17Å; V197-V200 PolarHBondContact O-N 2.95Å; V200-S202 VanDerWaalsContact C-N 3.32Å; V200-S202 PolarHBondContact O-N 2.9Å; V200-I203 PolarHBondContact O-N 2.87Å; V200-I204 HydrophobicContact CG1-CG1 3.99Å; V200-I204 WeakPolarHBondContact O-CB 3.34Å; V200-I204 WeakPolarHBondContact O-CG1 3.33Å; V200-I204 PolarHBondContact O-N 2.94Å; V200-L587 HydrophobicContact CG1-CB 4Å; V200-L587 HydrophobicContact CG2-CB 4.22Å; V200-L587 VanDerWaalsContact CG2-O 3.25Å; V200-L587 WeakPolarHBondContact CG2-O 3.45Å; V200-A588 HydrophobicContact CG1-CB 4.42Å; V200-A588 HydrophobicContact CG2-CB 4.26Å; V200-W695 HydrophobicContact CG1-CH2 4.23Å
201	K	98.3	Very high	97.9	Very high	19 Å²	19	37.7 Å²	37.7	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-53.2	-47.9	174.1	-73.1	175.4	177.3	-159.6	0	111.9	V197 C199 R205 W695 S698	V197-K201 WeakPolarHBondContact O-CG 3.44Å; V197-K201 PolarHBondContact O-N 3.16Å; C199-K201 PolarHBondContact O-N 2.79Å; K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 3.34Å; K201-W695 HydrophobicContact CB-CH2 4.45Å; K201-W695 HydrophobicContact CB-CZ3 4.43Å; K201-W695 HydrophobicContact CD-CD2 4.47Å; K201-W695 HydrophobicContact CD-CZ2 4.49Å; K201-W695 WeakPolarHBondContact CD-O 3.43Å; K201-W695 WeakPolarHBondContact CE-O 3.3Å; K201-W695 HydrophobicContact CG-CD2 3.96Å; K201-W695 HydrophobicContact CG-CE3 3.93Å; K201-W695 HydrophobicContact CG-CH2 3.61Å; K201-W695 HydrophobicContact CG-CZ2 3.63Å; K201-W695 HydrophobicContact CG-CZ3 3.76Å; K201-W695 PolarHBondContact NZ-O 2.63Å; K201-S698 WeakPolarHBondContact CD-O 3.38Å; K201-S698 VanDerWaalsContact NZ-C 3.34Å; K201-S698 PolarHBondContact NZ-O 2.97Å; K201-S698 PolarHBondContact NZ-OG 2.98Å
202	S	98	Very high	98	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-36.3	-178.8	-159.7	0	0	0	0	113.1	R198 C199 V200 R205 Q206 A531	R198-S202 PolarHBondContact O-N 3.19Å; C199-S202 PolarHBondContact O-N 3.02Å; V200-S202 VanDerWaalsContact C-N 3.32Å; V200-S202 PolarHBondContact O-N 2.9Å; S202-R205 PolarHBondContact OG-NH2 3.26Å; S202-R205 VanDerWaalsContact OG-NH2 3.12Å; S202-Q206 PolarHBondContact O-N 3.45Å; S202-Q206 PolarHBondContact O-NE2 3.19Å; S202-A531 WeakPolarHBondContact CB-O 3.38Å; S202-A531 PolarHBondContact OG-O 2.93Å
203	I	98.6	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.2	-55.5	174.6	-71.2	165.4	0	0	0	110.6	L183 L195 C199 V200 R205 Q206 V207 I534 V536 L587	L183-I203 HydrophobicContact CD1-CD1 4.41Å; L183-I203 HydrophobicContact CD1-CG2 3.56Å; L183-I203 HydrophobicContact CD2-CD1 4.04Å; L195-I203 HydrophobicContact CD1-CD1 3.86Å; C199-I203 WeakPolarHBondContact O-CB 3.34Å; C199-I203 VanDerWaalsContact O-CG1 3.27Å; C199-I203 WeakPolarHBondContact O-CG1 3.5Å; C199-I203 PolarHBondContact O-N 3.48Å; V200-I203 PolarHBondContact O-N 2.87Å; I203-R205 VanDerWaalsContact C-N 3.29Å; I203-R205 PolarHBondContact O-N 3Å; I203-Q206 PolarHBondContact O-N 2.85Å; I203-V207 HydrophobicContact CG2-CG2 4.42Å; I203-V207 PolarHBondContact O-N 3.21Å; I203-I534 HydrophobicContact CD1-CG2 4.29Å; I203-I534 HydrophobicContact CG1-CG2 3.68Å; I203-V536 HydrophobicContact CG1-CG1 4.22Å; I203-V536 HydrophobicContact CG2-CG2 4.4Å; I203-L587 HydrophobicContact CG2-CD1 4.08Å
204	I	98.8	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-35.3	-175.1	-65.6	-60.6	0	0	0	111.4	V200 Q206 V207 L208 T580 M583 A584 L587 F672 L696	V200-I204 HydrophobicContact CG1-CG1 3.99Å; V200-I204 WeakPolarHBondContact O-CB 3.34Å; V200-I204 WeakPolarHBondContact O-CG1 3.33Å; V200-I204 PolarHBondContact O-N 2.94Å; I204-Q206 VanDerWaalsContact C-N 3.32Å; I204-Q206 PolarHBondContact O-N 3Å; I204-V207 PolarHBondContact O-N 2.91Å; I204-L208 HydrophobicContact CG2-CD1 3.79Å; I204-L208 HydrophobicContact CG2-CG 4.23Å; I204-L208 WeakPolarHBondContact O-CB 3.42Å; I204-L208 VanDerWaalsContact O-CG 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.24Å; I204-L208 PolarHBondContact O-N 2.78Å; I204-T580 HydrophobicContact CD1-CG2 4.24Å; I204-T580 HydrophobicContact CG2-CG2 4.35Å; I204-M583 HydrophobicContact CD1-CE 4Å; I204-A584 HydrophobicContact CD1-CB 3.72Å; I204-A584 HydrophobicContact CG1-CB 3.82Å; I204-L587 HydrophobicContact CD1-CD1 4.09Å; I204-F672 HydrophobicContact CG2-CE1 4.02Å; I204-F672 HydrophobicContact CG2-CZ 3.85Å; I204-L696 HydrophobicContact CB-CD2 4.45Å; I204-L696 HydrophobicContact CG2-CD2 4.25Å
205	R	98.8	Very high	98.4	Very high	69 Å²	69	22.5 Å²	22.5	26%	0.26	10%	0.103	S	C	.	.	H	α-helix	trans	-55.3	-43.3	169.8	179.7	170.6	59.3	-161	2.7	112.6	K201 S202 I203 Q209 L691 L696	K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 3.34Å; S202-R205 PolarHBondContact OG-NH2 3.26Å; S202-R205 VanDerWaalsContact OG-NH2 3.12Å; I203-R205 VanDerWaalsContact C-N 3.29Å; I203-R205 PolarHBondContact O-N 3Å; R205-Q209 WeakPolarHBondContact O-CG 3.37Å; R205-Q209 PolarHBondContact O-N 3.39Å; R205-L691 HydrophobicContact CG-CD2 4.34Å; R205-L691 WeakPolarHBondContact O-CD2 3.4Å; R205-L696 HydrophobicContact CB-CD1 4.47Å; R205-L696 HydrophobicContact CB-CD2 4.24Å; R205-L696 PolarHBondContact NH1-O 3.12Å
206	Q	98.7	Very high	98.4	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-75.2	-36.7	179.2	-73.3	171.1	83.4	0	0	112.8	M154 S202 I203 I204 Q209 G210 I534 R535 V536	M154-Q206 WeakPolarHBondContact CB-O 3.49Å; M154-Q206 HydrophobicContact SD-CB 4.08Å; M154-Q206 HydrophobicContact SD-CG 3.96Å; S202-Q206 PolarHBondContact O-N 3.45Å; S202-Q206 PolarHBondContact O-NE2 3.19Å; I203-Q206 PolarHBondContact O-N 2.85Å; I204-Q206 VanDerWaalsContact C-N 3.32Å; I204-Q206 PolarHBondContact O-N 3Å; Q206-Q209 WeakPolarHBondContact O-CB 3.33Å; Q206-Q209 PolarHBondContact O-N 3.28Å; Q206-G210 PolarHBondContact O-N 3.01Å; Q206-I534 PolarHBondContact NE2-O 2.88Å; Q206-R535 VanDerWaalsContact OE1-CA 3.25Å; Q206-V536 HydrophobicContact CB-CG2 3.51Å; Q206-V536 HydrophobicContact CG-CG2 4.38Å; Q206-V536 VanDerWaalsContact OE1-N 3.09Å
207	V	98.9	Very high	98.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-45.3	171.6	176.9	0	0	0	0	110.5	I203 I204 Q209 G210 L211 I230 I538 T580 M583	I203-V207 HydrophobicContact CG2-CG2 4.42Å; I203-V207 PolarHBondContact O-N 3.21Å; I204-V207 PolarHBondContact O-N 2.91Å; V207-Q209 VanDerWaalsContact C-N 3.34Å; V207-Q209 PolarHBondContact O-N 2.95Å; V207-G210 PolarHBondContact O-N 3.48Å; V207-L211 HydrophobicContact CG1-CD1 4.17Å; V207-L211 HydrophobicContact CG1-CG 4.44Å; V207-L211 WeakPolarHBondContact O-CG 3.2Å; V207-L211 PolarHBondContact O-N 3.13Å; V207-I230 HydrophobicContact CG1-CD1 4.25Å; V207-I230 HydrophobicContact CG2-CD1 3.86Å; V207-I230 HydrophobicContact CG2-CG1 4.06Å; V207-I230 HydrophobicContact CG2-CG2 4Å; V207-I538 HydrophobicContact CG1-CD1 4.4Å; V207-I538 HydrophobicContact CG1-CG1 4.47Å; V207-T580 HydrophobicContact CG1-CG2 4.09Å; V207-M583 HydrophobicContact CB-CE 4.49Å; V207-M583 HydrophobicContact CG1-CE 3.97Å; V207-M583 HydrophobicContact CG2-CE 4.08Å
208	L	98.9	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-33.9	177.3	-70.3	168.4	0	0	0	112.5	I204 L211 D212 I577 T580 F672 M676 A687 C690 L691 L696	I204-L208 HydrophobicContact CG2-CD1 3.79Å; I204-L208 HydrophobicContact CG2-CG 4.23Å; I204-L208 WeakPolarHBondContact O-CB 3.42Å; I204-L208 VanDerWaalsContact O-CG 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.24Å; I204-L208 PolarHBondContact O-N 2.78Å; L208-L211 PolarHBondContact O-N 2.97Å; L208-D212 WeakPolarHBondContact O-CB 3.22Å; L208-D212 PolarHBondContact O-N 3.4Å; L208-I577 HydrophobicContact CD2-CD1 4.37Å; L208-T580 HydrophobicContact CD2-CG2 4.19Å; L208-T580 HydrophobicContact CG-CG2 4.43Å; L208-F672 HydrophobicContact CD1-CE2 4.42Å; L208-F672 HydrophobicContact CD1-CZ 4Å; L208-M676 HydrophobicContact CD2-CE 4.26Å; L208-A687 HydrophobicContact CD2-CB 4.28Å; L208-C690 HydrophobicContact CD1-CB 3.58Å; L208-C690 HydrophobicContact CD2-CB 3.94Å; L208-C690 HydrophobicContact CG-CB 4.37Å; L208-L691 HydrophobicContact CB-CD2 3.6Å; L208-L691 HydrophobicContact CB-CG 3.88Å; L208-L696 HydrophobicContact CD1-CD1 3.85Å
209	Q	98.8	Very high	98.6	Very high	52 Å²	52	21.6 Å²	21.6	24%	0.243	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-48.6	169.5	-78.1	168.3	-37.4	0	0	111.4	N151 M154 R205 Q206 V207 L211 D212 Y213 L691	N151-Q209 HydrophobicContact CB-CB 4.36Å; N151-Q209 WeakPolarHBondContact CB-O 3.38Å; M154-Q209 HydrophobicContact CB-CB 4.48Å; M154-Q209 HydrophobicContact CG-CB 3.88Å; R205-Q209 WeakPolarHBondContact O-CG 3.37Å; R205-Q209 PolarHBondContact O-N 3.39Å; Q206-Q209 WeakPolarHBondContact O-CB 3.33Å; Q206-Q209 PolarHBondContact O-N 3.28Å; V207-Q209 VanDerWaalsContact C-N 3.34Å; V207-Q209 PolarHBondContact O-N 2.95Å; Q209-L211 PolarHBondContact O-N 3.34Å; Q209-D212 PolarHBondContact O-N 3.18Å; Q209-Y213 PolarHBondContact O-N 3.2Å; Q209-Y213 VanDerWaalsContact O-N 3.11Å; Q209-L691 HydrophobicContact CG-CD1 3.99Å; Q209-L691 HydrophobicContact CG-CD2 3.9Å
210	G	98.8	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-41.7	177.1	0	0	0	0	0	113.2	Q206 V207 Y213 L214	Q206-G210 PolarHBondContact O-N 3.01Å; V207-G210 PolarHBondContact O-N 3.48Å; G210-Y213 PolarHBondContact O-N 3.32Å; G210-L214 WeakPolarHBondContact O-CG 3.32Å; G210-L214 PolarHBondContact O-N 3.07Å
211	L	98.9	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-42.6	175.4	-72.6	178.1	0	0	0	112.2	V207 L208 Q209 Y213 L214 H215 H222 I225 I538 D576 I577 T580 A687	V207-L211 HydrophobicContact CG1-CD1 4.17Å; V207-L211 HydrophobicContact CG1-CG 4.44Å; V207-L211 WeakPolarHBondContact O-CG 3.2Å; V207-L211 PolarHBondContact O-N 3.13Å; L208-L211 PolarHBondContact O-N 2.97Å; Q209-L211 PolarHBondContact O-N 3.34Å; L211-Y213 VanDerWaalsContact C-N 3.25Å; L211-Y213 PolarHBondContact O-N 3.49Å; L211-L214 HydrophobicContact CD2-CD1 4.35Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-L214 VanDerWaalsContact O-N 3.16Å; L211-H215 VanDerWaalsContact O-CB 3.27Å; L211-H215 WeakPolarHBondContact O-CB 3.45Å; L211-H215 PolarHBondContact O-CD2 3.34Å; L211-H215 PolarHBondContact O-N 3.11Å; L211-H222 HydrophobicContact CD2-CB 4.42Å; L211-I225 HydrophobicContact CD2-CD1 3.98Å; L211-I225 HydrophobicContact CD2-CG1 4.15Å; L211-I538 HydrophobicContact CD2-CD1 3.98Å; L211-I538 HydrophobicContact CG-CD1 3.88Å; L211-D576 HydrophobicContact CD1-CB 4.12Å; L211-D576 HydrophobicContact CD2-CB 3.81Å; L211-I577 HydrophobicContact CD1-CD1 4.34Å; L211-T580 VanDerWaalsContact CD1-OG1 3.23Å; L211-T580 WeakPolarHBondContact CD1-OG1 3.49Å; L211-A687 HydrophobicContact CB-CB 4Å
212	D	98.8	Very high	98.7	Very high	40 Å²	40	20.8 Å²	20.8	21%	0.214	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-36.6	177.3	-165.2	62.5	0	0	0	111.5	L208 Q209 S216 A687 G688 L691	L208-D212 WeakPolarHBondContact O-CB 3.22Å; L208-D212 PolarHBondContact O-N 3.4Å; Q209-D212 PolarHBondContact O-N 3.18Å; D212-S216 WeakPolarHBondContact O-CA 3.36Å; D212-S216 WeakPolarHBondContact O-CB 3.33Å; D212-S216 PolarHBondContact O-N 3.45Å; D212-S216 PolarHBondContact O-OG 3.24Å; D212-A687 HydrophobicContact CB-CB 3.76Å; D212-G688 VanDerWaalsContact OD1-CA 3.28Å; D212-G688 WeakPolarHBondContact OD1-CA 3.33Å; D212-G688 PolarHBondContact OD1-N 2.78Å; D212-L691 HydrophobicContact CB-CD1 4.21Å
213	Y	98.8	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-49.3	171.3	-177.4	-102.4	0	0	0	112.6	V142 D146 D149 K152 Q209 G210 L211 H215 K217 C218	V142-Y213 HydrophobicContact CG1-CE1 4.09Å; V142-Y213 VanDerWaalsContact O-CE1 3.25Å; V142-Y213 WeakPolarHBondContact O-CE1 3.42Å; V142-Y213 PolarHBondContact O-OH 2.83Å; D146-Y213 HydrophobicContact CB-CE2 4.13Å; D146-Y213 PolarHBondContact N-OH 3.11Å; D146-Y213 PolarHBondContact O-OH 3.1Å; D149-Y213 HydrophobicContact CB-CD2 3.9Å; D149-Y213 HydrophobicContact CB-CE2 3.78Å; K152-Y213 HydrophobicContact CB-CD1 4Å; K152-Y213 HydrophobicContact CB-CD2 4.09Å; K152-Y213 HydrophobicContact CB-CE1 3.59Å; K152-Y213 HydrophobicContact CB-CE2 3.71Å; K152-Y213 HydrophobicContact CB-CG 4.24Å; K152-Y213 VanDerWaalsContact CB-CZ 3.46Å; Q209-Y213 PolarHBondContact O-N 3.2Å; Q209-Y213 VanDerWaalsContact O-N 3.11Å; G210-Y213 PolarHBondContact O-N 3.32Å; L211-Y213 VanDerWaalsContact C-N 3.25Å; L211-Y213 PolarHBondContact O-N 3.49Å; Y213-H215 PolarHBondContact O-N 2.88Å; Y213-K217 HydrophobicContact CD2-CB 4Å; Y213-K217 HydrophobicContact CD2-CG 3.65Å; Y213-K217 HydrophobicContact CE2-CB 3.88Å; Y213-K217 HydrophobicContact CE2-CG 3.8Å; Y213-K217 WeakPolarHBondContact O-CA 3.5Å; Y213-K217 WeakPolarHBondContact O-CB 3.44Å; Y213-K217 PolarHBondContact O-N 2.84Å; Y213-C218 WeakPolarHBondContact CE1-SG 3.22Å; Y213-C218 PolarHBondContact O-N 2.99Å
214	L	98.8	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-59.4	-44.4	178.6	-71.4	170.4	0	0	0	112.4	V142 V155 G210 L211 C218 K219 I220 I538 L541	V142-L214 HydrophobicContact CG2-CD2 3.53Å; V155-L214 HydrophobicContact CG1-CD2 4.47Å; V155-L214 HydrophobicContact CG2-CD1 4.2Å; V155-L214 HydrophobicContact CG2-CD2 4.4Å; V155-L214 HydrophobicContact CG2-CG 4.09Å; G210-L214 WeakPolarHBondContact O-CG 3.32Å; G210-L214 PolarHBondContact O-N 3.07Å; L211-L214 HydrophobicContact CD2-CD1 4.35Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-L214 VanDerWaalsContact O-N 3.16Å; L214-C218 CarbonylContact O-C 3.6Å; L214-C218 WeakPolarHBondContact O-CB 3.34Å; L214-C218 PolarHBondContact O-N 3.42Å; L214-K219 PolarHBondContact O-N 2.85Å; L214-I220 CarbonylContact C-O 3.58Å; L214-I220 HydrophobicContact CD2-CB 4.19Å; L214-I220 HydrophobicContact CD2-CD1 4.41Å; L214-I220 HydrophobicContact CD2-CG2 4.19Å; L214-I220 PolarHBondContact O-N 2.93Å; L214-I538 HydrophobicContact CD1-CD1 4.16Å; L214-L541 HydrophobicContact CD2-CD2 4.49Å
215	H	98.8	Very high	98.7	Very high	20 Å²	20	21 Å²	21	9%	0.093	10%	0.1	C	C	.	.	I	π-helix	trans	-75.7	-46	-177.5	-62.8	178	0	0	0	112.1	L211 Y213 K219 I220 T573 D576	L211-H215 VanDerWaalsContact O-CB 3.27Å; L211-H215 WeakPolarHBondContact O-CB 3.45Å; L211-H215 PolarHBondContact O-CD2 3.34Å; L211-H215 PolarHBondContact O-N 3.11Å; Y213-H215 PolarHBondContact O-N 2.88Å; H215-K219 VanDerWaalsContact O-CD 3.29Å; H215-K219 WeakPolarHBondContact O-CD 3.49Å; H215-K219 PolarHBondContact O-NZ 2.85Å; H215-I220 PolarHBondContact CD2-O 3.46Å; H215-T573 HydrophobicContact CB-CG2 3.88Å; H215-T573 PolarHBondContact CE1-O 3.35Å; H215-D576 IonicContact CD2-OD2 2.71Å; H215-D576 IonicContact CE1-OD2 3.38Å; H215-D576 IonicContact NE2-OD2 3.2Å; H215-D576 PolarHBondContact NE2-OD2 3.38Å
216	S	98.3	Very high	98.7	Very high	44 Å²	44	18.8 Å²	18.8	31%	0.308	9%	0.092	S	C	.	.	I	π-helix	trans	-84	-41.8	-173.6	78.3	0	0	0	0	113.1	D212 K219	D212-S216 WeakPolarHBondContact O-CA 3.36Å; D212-S216 WeakPolarHBondContact O-CB 3.33Å; D212-S216 PolarHBondContact O-N 3.45Å; D212-S216 PolarHBondContact O-OG 3.24Å; S216-K219 WeakPolarHBondContact O-CE 3.47Å; S216-K219 PolarHBondContact O-NZ 2.86Å
217	K	98.3	Very high	98.7	Very high	77 Å²	77	18 Å²	18	34%	0.335	9%	0.088	S	C	.	.	I	π-helix	trans	-94.3	-58.4	-177.3	-52.4	-57.2	178	67.6	0	111.7	D146 D149 Y213 K219	D146-K217 HydrophobicContact CB-CB 4.46Å; D146-K217 HydrophobicContact CB-CD 4.24Å; D146-K217 HydrophobicContact CB-CG 4.2Å; D146-K217 IonicContact OD2-NZ 3.59Å; D146-K217 PolarHBondContact OD2-NZ 2.61Å; D149-K217 IonicContact OD2-NZ 3.85Å; D149-K217 PolarHBondContact OD2-NZ 3.24Å; Y213-K217 HydrophobicContact CD2-CB 4Å; Y213-K217 HydrophobicContact CD2-CG 3.65Å; Y213-K217 HydrophobicContact CE2-CB 3.88Å; Y213-K217 HydrophobicContact CE2-CG 3.8Å; Y213-K217 WeakPolarHBondContact O-CA 3.5Å; Y213-K217 WeakPolarHBondContact O-CB 3.44Å; Y213-K217 PolarHBondContact O-N 2.84Å; K217-K219 PolarHBondContact O-N 3.45Å
218	C	98.4	Very high	98.5	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.041	10%	0.101	C	C	.	.	I	π-helix	trans	-79.4	-19.4	-169.1	-49.9	0	0	0	0	114.9	Y213 L214 I220	Y213-C218 WeakPolarHBondContact CE1-SG 3.22Å; Y213-C218 PolarHBondContact O-N 2.99Å; L214-C218 CarbonylContact O-C 3.6Å; L214-C218 WeakPolarHBondContact O-CB 3.34Å; L214-C218 PolarHBondContact O-N 3.42Å; C218-I220 VanDerWaalsContact C-N 3.26Å; C218-I220 HydrophobicContact CB-CB 4.25Å; C218-I220 HydrophobicContact CB-CD1 3.75Å; C218-I220 HydrophobicContact CB-CG1 3.86Å; C218-I220 PolarHBondContact O-N 2.82Å
219	K	98.6	Very high	98.5	Very high	105 Å²	105	21.5 Å²	21.5	46%	0.457	11%	0.105	S	C	.	.			trans	54.6	42	-170.1	-51.6	-45.2	-168.5	-168.2	0	112.7	L214 H215 S216 K217 W546 V547	L214-K219 PolarHBondContact O-N 2.85Å; H215-K219 VanDerWaalsContact O-CD 3.29Å; H215-K219 WeakPolarHBondContact O-CD 3.49Å; H215-K219 PolarHBondContact O-NZ 2.85Å; S216-K219 WeakPolarHBondContact O-CE 3.47Å; S216-K219 PolarHBondContact O-NZ 2.86Å; K217-K219 PolarHBondContact O-N 3.45Å; K219-W546 WeakPolarHBondContact O-CA 3.33Å; K219-V547 HydrophobicContact CB-CB 4.5Å; K219-V547 HydrophobicContact CB-CG2 4.49Å; K219-V547 WeakPolarHBondContact O-CG2 3.23Å; K219-V547 PolarHBondContact O-N 2.93Å
220	I	98.8	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143	176.9	-67	173.8	0	0	0	108.9	L138 C141 V142 L214 H215 C218 A544 C545	L138-I220 HydrophobicContact CB-CD1 4.23Å; L138-I220 HydrophobicContact CD2-CD1 3.71Å; L138-I220 HydrophobicContact CD2-CG1 3.76Å; L138-I220 HydrophobicContact CD2-CG2 4.24Å; C141-I220 HydrophobicContact CB-CD1 4.29Å; V142-I220 HydrophobicContact CG2-CD1 3.82Å; L214-I220 CarbonylContact C-O 3.58Å; L214-I220 HydrophobicContact CD2-CB 4.19Å; L214-I220 HydrophobicContact CD2-CD1 4.41Å; L214-I220 HydrophobicContact CD2-CG2 4.19Å; L214-I220 PolarHBondContact O-N 2.93Å; H215-I220 PolarHBondContact CD2-O 3.46Å; C218-I220 VanDerWaalsContact C-N 3.26Å; C218-I220 HydrophobicContact CB-CB 4.25Å; C218-I220 HydrophobicContact CB-CD1 3.75Å; C218-I220 HydrophobicContact CB-CG1 3.86Å; C218-I220 PolarHBondContact O-N 2.82Å; I220-A544 HydrophobicContact CG2-CB 4.03Å; I220-C545 CarbonylContact C-O 3.59Å; I220-C545 VanDerWaalsContact CA-O 3.32Å; I220-C545 WeakPolarHBondContact CA-O 3.44Å
221	I	98.8	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.9	166.1	-48.3	166.3	0	0	0	105.8	T223 A544 C545 V547 Y571 T573 D576	I221-T223 HydrophobicContact CB-CG2 4.1Å; I221-T223 HydrophobicContact CG2-CG2 3.88Å; I221-A544 CarbonylContact O-C 3.6Å; I221-A544 VanDerWaalsContact O-CA 3.26Å; I221-A544 WeakPolarHBondContact O-CA 3.35Å; I221-A544 VanDerWaalsContact O-CB 3.3Å; I221-A544 WeakPolarHBondContact O-CB 3.17Å; I221-C545 PolarHBondContact N-O 3.08Å; I221-C545 PolarHBondContact O-N 2.8Å; I221-V547 HydrophobicContact CD1-CG2 4.09Å; I221-V547 HydrophobicContact CG1-CG2 3.64Å; I221-Y571 HydrophobicContact CD1-CD2 3.95Å; I221-Y571 HydrophobicContact CD1-CE2 3.85Å; I221-T573 HydrophobicContact CG1-CG2 4.07Å; I221-D576 WeakPolarHBondContact CG2-OD2 3.27Å
222	H	98.8	Very high	98.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.105	C	C	.	.			trans	-75.8	-35.1	-178	-173	-85.9	0	0	0	112.2	L211 D224 I225 N229 I538 A539 D540 A544 D576	L211-H222 HydrophobicContact CD2-CB 4.42Å; H222-D224 PolarHBondContact CE1-O 2.86Å; H222-D224 VanDerWaalsContact ND1-C 3.32Å; H222-D224 PolarHBondContact ND1-N 3.09Å; H222-D224 PolarHBondContact ND1-O 3.39Å; H222-D224 PolarHBondContact O-N 3.31Å; H222-I225 HydrophobicContact CB-CD1 3.92Å; H222-I225 HydrophobicContact CB-CG1 4.01Å; H222-I225 WeakPolarHBondContact ND1-CD1 3.5Å; H222-I225 PolarHBondContact ND1-N 2.96Å; H222-N229 VanDerWaalsContact CE1-CB 3.41Å; H222-N229 WeakPolarHBondContact CE1-CB 3.44Å; H222-N229 PolarHBondContact CE1-ND2 2.91Å; H222-I538 VanDerWaalsContact CD2-CG2 3.41Å; H222-I538 WeakPolarHBondContact CD2-CG2 3.19Å; H222-A539 PolarHBondContact CE1-O 2.85Å; H222-A539 PolarHBondContact NE2-O 2.97Å; H222-D540 VanDerWaalsContact NE2-C 3.3Å; H222-D540 PolarHBondContact NE2-O 3.11Å; H222-A544 WeakPolarHBondContact O-CA 3.5Å; H222-D576 PolarHBondContact N-OD1 2.91Å; H222-D576 PolarHBondContact N-OD2 2.98Å
223	T	98.6	Very high	98.2	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	10%	0.103	C	C	.	.	S	Bend	trans	65.5	-10.9	176.4	95.7	0	0	0	0	116.9	I221 N543 I555 Q556 Y571 D576	I221-T223 HydrophobicContact CB-CG2 4.1Å; I221-T223 HydrophobicContact CG2-CG2 3.88Å; T223-N543 PolarHBondContact OG1-O 2.94Å; T223-I555 HydrophobicContact CG2-CD1 4.37Å; T223-I555 HydrophobicContact CG2-CG2 4.33Å; T223-Q556 WeakPolarHBondContact O-CA 3.26Å; T223-Q556 WeakPolarHBondContact O-CG 3.29Å; T223-Q556 PolarHBondContact O-N 2.95Å; T223-Y571 HydrophobicContact CG2-CE2 4.28Å; T223-D576 PolarHBondContact N-OD1 3.46Å
224	D	98.3	Very high	98	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.043	11%	0.111	C	C	.	.			trans	-144.6	54.8	179.7	-163.9	40.2	0	0	0	112.4	H222 K226 N229 N543 T557	H222-D224 PolarHBondContact CE1-O 2.86Å; H222-D224 VanDerWaalsContact ND1-C 3.32Å; H222-D224 PolarHBondContact ND1-N 3.09Å; H222-D224 PolarHBondContact ND1-O 3.39Å; H222-D224 PolarHBondContact O-N 3.31Å; D224-K226 PolarHBondContact O-N 2.86Å; D224-K226 IonicContact OD1-NZ 3.69Å; D224-K226 PolarHBondContact OD1-NZ 2.69Å; D224-K226 WeakPolarHBondContact OD2-CE 3.28Å; D224-K226 IonicContact OD2-NZ 3.29Å; D224-K226 PolarHBondContact OD2-NZ 3.12Å; D224-N229 PolarHBondContact O-ND2 2.79Å; D224-N229 PolarHBondContact OD2-ND2 3.08Å; D224-N543 HydrophobicContact CB-CB 4.19Å; D224-N543 PolarHBondContact OD2-ND2 3.36Å; D224-T557 WeakPolarHBondContact OD1-CB 3.48Å; D224-T557 PolarHBondContact OD1-N 2.84Å; D224-T557 PolarHBondContact OD1-OG1 3Å
225	I	98.8	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.			trans	-74.4	122.3	173.5	-65.6	-69	0	0	0	110.2	L211 H222 I230 I538 D576 S579 M583	L211-I225 HydrophobicContact CD2-CD1 3.98Å; L211-I225 HydrophobicContact CD2-CG1 4.15Å; H222-I225 HydrophobicContact CB-CD1 3.92Å; H222-I225 HydrophobicContact CB-CG1 4.01Å; H222-I225 WeakPolarHBondContact ND1-CD1 3.5Å; H222-I225 PolarHBondContact ND1-N 2.96Å; I225-I230 HydrophobicContact CD1-CD1 4.48Å; I225-I538 HydrophobicContact CD1-CD1 4.31Å; I225-I538 HydrophobicContact CD1-CG2 3.89Å; I225-D576 HydrophobicContact CG1-CB 4.25Å; I225-S579 WeakPolarHBondContact O-CB 3.49Å; I225-M583 HydrophobicContact CG2-CE 3.68Å; I225-M583 HydrophobicContact CG2-SD 4.17Å
226	K	98.4	Very high	97.1	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.096	16%	0.158	C	C	.	.	S	Bend	trans	-165.8	163	-178.7	62.9	-167.8	-168.7	-157.2	0	111.1	D224 E228 N229 I230 T557 Y560	D224-K226 PolarHBondContact O-N 2.86Å; D224-K226 IonicContact OD1-NZ 3.69Å; D224-K226 PolarHBondContact OD1-NZ 2.69Å; D224-K226 WeakPolarHBondContact OD2-CE 3.28Å; D224-K226 IonicContact OD2-NZ 3.29Å; D224-K226 PolarHBondContact OD2-NZ 3.12Å; K226-E228 WeakPolarHBondContact CB-OE2 3.35Å; K226-E228 VanDerWaalsContact CD-OE1 3.29Å; K226-E228 WeakPolarHBondContact CD-OE1 3.48Å; K226-E228 WeakPolarHBondContact CE-OE1 3.36Å; K226-E228 HydrophobicContact CG-CB 4.33Å; K226-E228 VanDerWaalsContact CG-OE2 3.28Å; K226-E228 WeakPolarHBondContact CG-OE2 3.48Å; K226-E228 IonicContact NZ-OE1 3.88Å; K226-E228 PolarHBondContact O-N 2.97Å; K226-E228 VanDerWaalsContact O-N 3.11Å; K226-N229 HydrophobicContact CG-CB 4.24Å; K226-N229 PolarHBondContact O-N 3.33Å; K226-I230 PolarHBondContact O-N 2.84Å; K226-T557 HydrophobicContact CD-CG2 4.26Å; K226-T557 WeakPolarHBondContact CD-OG1 3.12Å; K226-T557 PolarHBondContact NZ-OG1 3.35Å; K226-Y560 HydrophobicContact CB-CD1 4.27Å; K226-Y560 HydrophobicContact CB-CD2 3.95Å; K226-Y560 HydrophobicContact CB-CE1 3.98Å; K226-Y560 HydrophobicContact CB-CE2 3.61Å; K226-Y560 HydrophobicContact CB-CG 4.26Å; K226-Y560 HydrophobicContact CD-CE2 4.39Å
227	P	98.4	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.8	-177.8	-26.7	35.8	0	0	0	115.7	L183 L184 I187 Y560 M583	L183-P227 HydrophobicContact CB-CB 3.95Å; L183-P227 WeakPolarHBondContact CB-O 3.29Å; L183-P227 PolarHBondContact N-O 2.99Å; L184-P227 HydrophobicContact CB-CB 4.04Å; L184-P227 PolarHBondContact N-O 2.98Å; I187-P227 HydrophobicContact CD1-CB 3.83Å; I187-P227 HydrophobicContact CD1-CG 3.75Å; P227-Y560 WeakPolarHBondContact CD-OH 2.96Å; P227-M583 HydrophobicContact CG-CG 3.94Å; P227-M583 HydrophobicContact CG-SD 4.38Å
228	E	95.8	Very high	96.2	Very high	57 Å²	57	28.3 Å²	28.3	27%	0.266	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.2	174.8	-51.2	95.4	99.6	0	0	112.6	H182 L184 K226	H182-E228 WeakPolarHBondContact CB-O 3.33Å; L184-E228 HydrophobicContact CB-CG 4.14Å; L184-E228 HydrophobicContact CD2-CG 3.69Å; K226-E228 WeakPolarHBondContact CB-OE2 3.35Å; K226-E228 VanDerWaalsContact CD-OE1 3.29Å; K226-E228 WeakPolarHBondContact CD-OE1 3.48Å; K226-E228 WeakPolarHBondContact CE-OE1 3.36Å; K226-E228 HydrophobicContact CG-CB 4.33Å; K226-E228 VanDerWaalsContact CG-OE2 3.28Å; K226-E228 WeakPolarHBondContact CG-OE2 3.48Å; K226-E228 IonicContact NZ-OE1 3.88Å; K226-E228 PolarHBondContact O-N 2.97Å; K226-E228 VanDerWaalsContact O-N 3.11Å
229	N	97.8	Very high	95.7	Very high	16 Å²	16	28.2 Å²	28.2	9%	0.086	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.9	-174.9	-68	-11.9	0	0	0	112.8	H222 D224 K226 A539	H222-N229 VanDerWaalsContact CE1-CB 3.41Å; H222-N229 WeakPolarHBondContact CE1-CB 3.44Å; H222-N229 PolarHBondContact CE1-ND2 2.91Å; D224-N229 PolarHBondContact O-ND2 2.79Å; D224-N229 PolarHBondContact OD2-ND2 3.08Å; K226-N229 HydrophobicContact CG-CB 4.24Å; K226-N229 PolarHBondContact O-N 3.33Å; N229-A539 PolarHBondContact O-N 3.11Å
230	I	98.5	Very high	95.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.3	171.4	-52.9	-53	0	0	0	109.3	H182 L183 V207 I225 K226 V536 K537 I538 M583	H182-I230 VanDerWaalsContact CA-O 3.28Å; H182-I230 WeakPolarHBondContact CA-O 3.45Å; L183-I230 HydrophobicContact CD1-CB 3.79Å; L183-I230 HydrophobicContact CD1-CG2 3.61Å; L183-I230 HydrophobicContact CG-CB 4.1Å; L183-I230 HydrophobicContact CG-CG2 4.04Å; L183-I230 PolarHBondContact N-O 3.29Å; L183-I230 VanDerWaalsContact N-O 3.12Å; V207-I230 HydrophobicContact CG1-CD1 4.25Å; V207-I230 HydrophobicContact CG2-CD1 3.86Å; V207-I230 HydrophobicContact CG2-CG1 4.06Å; V207-I230 HydrophobicContact CG2-CG2 4Å; I225-I230 HydrophobicContact CD1-CD1 4.48Å; K226-I230 PolarHBondContact O-N 2.84Å; I230-V536 HydrophobicContact CG2-CB 3.85Å; I230-V536 HydrophobicContact CG2-CG1 4.2Å; I230-V536 HydrophobicContact CG2-CG2 4.25Å; I230-K537 WeakPolarHBondContact CA-O 3.38Å; I230-I538 HydrophobicContact CD1-CB 4.35Å; I230-I538 HydrophobicContact CD1-CG1 3.94Å; I230-I538 HydrophobicContact CD1-CG2 4.49Å; I230-M583 HydrophobicContact CD1-CE 4.44Å; I230-M583 HydrophobicContact CG1-CE 3.91Å; I230-M583 HydrophobicContact CG1-SD 3.72Å
231	L	97.9	Very high	94.5	Very high	39 Å²	39	28.4 Å²	28.4	20%	0.204	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.3	-176.6	-62.5	178.7	0	0	0	111.4	L179 H182 V536 K537 A539	L179-L231 HydrophobicContact CB-CB 4.01Å; L179-L231 HydrophobicContact CB-CD1 4.04Å; L179-L231 HydrophobicContact CD1-CB 3.96Å; L179-L231 HydrophobicContact CD1-CD1 3.75Å; L179-L231 HydrophobicContact CD1-CG 4.49Å; H182-L231 HydrophobicContact CB-CD2 3.74Å; L231-V536 CarbonylContact O-C 3.57Å; L231-V536 VanDerWaalsContact O-CA 3.25Å; L231-V536 WeakPolarHBondContact O-CA 3.19Å; L231-K537 PolarHBondContact N-O 3.07Å; L231-K537 PolarHBondContact O-N 3.48Å; L231-A539 HydrophobicContact CD1-CB 3.54Å; L231-A539 HydrophobicContact CG-CB 3.83Å
232	M	97.3	Very high	94	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.039	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.4	168.6	-70.5	-173	66.1	0	0	111.1	G180 H181 L183 W186 V523 P525 I534 R535 V536	G180-M232 WeakPolarHBondContact CA-O 3.25Å; G180-M232 PolarHBondContact N-O 3.4Å; H181-M232 PolarHBondContact O-N 3.13Å; L183-M232 HydrophobicContact CD2-CG 4.08Å; W186-M232 PolarHBondContact NE1-SD 3.07Å; M232-V523 HydrophobicContact CE-CB 4.31Å; M232-V523 HydrophobicContact CE-CG1 4.45Å; M232-V523 WeakPolarHBondContact CE-O 3.25Å; M232-P525 HydrophobicContact CE-CG 4.47Å; M232-P525 HydrophobicContact SD-CB 4.43Å; M232-P525 HydrophobicContact SD-CG 3.98Å; M232-I534 HydrophobicContact CE-CG1 4.32Å; M232-I534 HydrophobicContact CE-CG2 4.29Å; M232-R535 CarbonylContact C-O 3.54Å; M232-R535 WeakPolarHBondContact CA-O 3.47Å; M232-V536 HydrophobicContact CG-CG1 4.04Å
233	C	96.8	Very high	93.3	Very high	27 Å²	27	28.7 Å²	28.7	18%	0.182	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	156.9	165.9	-61.2	0	0	0	0	110.3	L179 R535	L179-C233 HydrophobicContact CD2-CB 4.41Å; C233-R535 HydrophobicContact CB-CB 3.77Å; C233-R535 PolarHBondContact N-O 2.99Å
234	V	94.1	Very high	92.5	Very high	26 Å²	26	29.3 Å²	29.3	16%	0.158	16%	0.157	C	C	.	.			trans	-138.3	146.2	176.7	-70.9	0	0	0	0	110.5	V178 Y238 V239 L522	V178-V234 HydrophobicContact CG1-CG2 4.49Å; V234-Y238 HydrophobicContact CB-CD1 3.48Å; V234-Y238 VanDerWaalsContact CB-CD1 3.48Å; V234-Y238 HydrophobicContact CB-CE1 4.02Å; V234-Y238 HydrophobicContact CB-CG 4.18Å; V234-Y238 HydrophobicContact CG1-CD1 3.75Å; V234-Y238 HydrophobicContact CG1-CE1 3.82Å; V234-Y238 HydrophobicContact CG1-CG 4.44Å; V234-Y238 HydrophobicContact CG2-CD1 3.68Å; V234-Y238 HydrophobicContact CG2-CE1 4.06Å; V234-V239 HydrophobicContact CG2-CG2 3.78Å; V234-L522 HydrophobicContact CG1-CD2 3.69Å
235	D	90.8	Very high	91.8	Very high	106 Å²	106	30.7 Å²	30.7	57%	0.567	16%	0.164	S	C	*	.			trans	-75.7	154.8	-176.6	-64.3	-39.5	0	0	0	112.7	A237 Y238 V239	D235-A237 PolarHBondContact O-N 3.21Å; D235-A237 VanDerWaalsContact O-N 3.09Å; D235-Y238 WeakPolarHBondContact O-CB 3.48Å; D235-Y238 PolarHBondContact O-N 3.01Å; D235-V239 PolarHBondContact O-N 3.16Å
236	D	87.5	Confident	91	Very high	95 Å²	95	31 Å²	31	51%	0.508	17%	0.166	S	C	.	.	H	α-helix	trans	-53.7	-33.9	178	-130.7	49.5	0	0	0	112.1	V239 R240	D236-V239 PolarHBondContact O-N 3.18Å; D236-R240 VanDerWaalsContact O-CB 3.31Å; D236-R240 WeakPolarHBondContact O-CB 3.33Å; D236-R240 VanDerWaalsContact O-CD 3.29Å; D236-R240 WeakPolarHBondContact O-CD 3.33Å; D236-R240 WeakPolarHBondContact O-CG 3.27Å; D236-R240 PolarHBondContact O-N 2.87Å; D236-R240 IonicContact OD2-CZ 2.85Å; D236-R240 IonicContact OD2-NE 2.79Å; D236-R240 PolarHBondContact OD2-NE 2.93Å; D236-R240 VanDerWaalsContact OD2-NE 3.09Å; D236-R240 IonicContact OD2-NH2 2.92Å; D236-R240 PolarHBondContact OD2-NH2 2.77Å
237	A	87.4	Confident	89.9	Confident	57 Å²	57	30.4 Å²	30.4	47%	0.471	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-40.8	175.6	0	0	0	0	0	113.2	D235 R241 L521	D235-A237 PolarHBondContact O-N 3.21Å; D235-A237 VanDerWaalsContact O-N 3.09Å; A237-R241 WeakPolarHBondContact O-CB 3.43Å; A237-R241 PolarHBondContact O-N 2.85Å; A237-L521 HydrophobicContact CB-CD1 4.42Å
238	Y	90	Very high	89	Confident	18 Å²	18	34.5 Å²	34.5	7%	0.071	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-48.7	174.4	170	-101.2	0	0	0	110.7	V234 D235 R241 M242 A518 L521 L522	V234-Y238 HydrophobicContact CB-CD1 3.48Å; V234-Y238 VanDerWaalsContact CB-CD1 3.48Å; V234-Y238 HydrophobicContact CB-CE1 4.02Å; V234-Y238 HydrophobicContact CB-CG 4.18Å; V234-Y238 HydrophobicContact CG1-CD1 3.75Å; V234-Y238 HydrophobicContact CG1-CE1 3.82Å; V234-Y238 HydrophobicContact CG1-CG 4.44Å; V234-Y238 HydrophobicContact CG2-CD1 3.68Å; V234-Y238 HydrophobicContact CG2-CE1 4.06Å; D235-Y238 WeakPolarHBondContact O-CB 3.48Å; D235-Y238 PolarHBondContact O-N 3.01Å; Y238-R241 PolarHBondContact O-N 3.35Å; Y238-M242 HydrophobicContact CD1-CE 3.82Å; Y238-M242 HydrophobicContact CE1-CE 3.1Å; Y238-M242 VanDerWaalsContact O-CB 3.23Å; Y238-M242 WeakPolarHBondContact O-CB 3.44Å; Y238-M242 PolarHBondContact O-N 2.98Å; Y238-A518 HydrophobicContact CD2-CB 4.09Å; Y238-A518 WeakPolarHBondContact CD2-O 3.12Å; Y238-A518 HydrophobicContact CE2-CB 3.99Å; Y238-A518 WeakPolarHBondContact CE2-O 3.39Å; Y238-L521 HydrophobicContact CD2-CB 4.42Å; Y238-L522 HydrophobicContact CD1-CD2 4.33Å; Y238-L522 HydrophobicContact CD2-CD2 3.74Å; Y238-L522 HydrophobicContact CD2-CG 3.87Å; Y238-L522 HydrophobicContact CE1-CD2 4.01Å; Y238-L522 HydrophobicContact CE2-CD1 3.94Å; Y238-L522 HydrophobicContact CE2-CD2 3.44Å; Y238-L522 VanDerWaalsContact CE2-CD2 3.44Å; Y238-L522 HydrophobicContact CE2-CG 3.46Å; Y238-L522 VanDerWaalsContact CE2-CG 3.46Å; Y238-L522 HydrophobicContact CG-CD2 4.19Å
239	V	89.6	Confident	88	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-39	-177.3	-172.8	0	0	0	0	111.7	L107 F116 V178 V234 D235 D236 A243	L107-V239 HydrophobicContact CD1-CG1 3.94Å; F116-V239 HydrophobicContact CB-CG1 3.53Å; F116-V239 HydrophobicContact CD1-CG1 4.39Å; F116-V239 HydrophobicContact CD2-CB 4.49Å; F116-V239 HydrophobicContact CD2-CG1 3.83Å; F116-V239 HydrophobicContact CG-CG1 3.66Å; V178-V239 HydrophobicContact CB-CG1 4.27Å; V178-V239 HydrophobicContact CB-CG2 4.17Å; V178-V239 HydrophobicContact CG1-CG1 4.01Å; V178-V239 HydrophobicContact CG1-CG2 3.8Å; V178-V239 HydrophobicContact CG2-CG1 4.18Å; V234-V239 HydrophobicContact CG2-CG2 3.78Å; D235-V239 PolarHBondContact O-N 3.16Å; D236-V239 PolarHBondContact O-N 3.18Å; V239-A243 WeakPolarHBondContact O-CB 3.49Å; V239-A243 PolarHBondContact O-N 3.11Å
240	R	85.8	Confident	86.7	Confident	54 Å²	54	37.5 Å²	37.5	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-51.9	171.8	-74.5	162.4	-171.3	-117.5	8	111.6	F116 D236 M242 A243 A244 L303	F116-R240 HydrophobicContact CE2-CG 3.77Å; D236-R240 VanDerWaalsContact O-CB 3.31Å; D236-R240 WeakPolarHBondContact O-CB 3.33Å; D236-R240 VanDerWaalsContact O-CD 3.29Å; D236-R240 WeakPolarHBondContact O-CD 3.33Å; D236-R240 WeakPolarHBondContact O-CG 3.27Å; D236-R240 PolarHBondContact O-N 2.87Å; D236-R240 IonicContact OD2-CZ 2.85Å; D236-R240 IonicContact OD2-NE 2.79Å; D236-R240 PolarHBondContact OD2-NE 2.93Å; D236-R240 VanDerWaalsContact OD2-NE 3.09Å; D236-R240 IonicContact OD2-NH2 2.92Å; D236-R240 PolarHBondContact OD2-NH2 2.77Å; R240-M242 VanDerWaalsContact C-N 3.33Å; R240-M242 PolarHBondContact O-N 3.04Å; R240-A243 PolarHBondContact O-N 3.4Å; R240-A244 PolarHBondContact O-N 2.88Å; R240-L303 PolarHBondContact NH1-O 2.84Å
241	R	86.1	Confident	85.4	Confident	54 Å²	54	44.4 Å²	44.4	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-42.6	-179.6	-174	77.9	-55.8	121.4	14.4	111.5	A237 Y238 A243 A244 E245 E304 T516 A518 L521	A237-R241 WeakPolarHBondContact O-CB 3.43Å; A237-R241 PolarHBondContact O-N 2.85Å; Y238-R241 PolarHBondContact O-N 3.35Å; R241-A243 PolarHBondContact O-N 3.15Å; R241-A244 PolarHBondContact O-N 3Å; R241-E245 HydrophobicContact CG-CG 4.4Å; R241-E245 WeakPolarHBondContact O-CB 3.21Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 3Å; R241-E304 IonicContact CZ-OE1 2.93Å; R241-E304 IonicContact NH2-OE1 3.36Å; R241-E304 PolarHBondContact NH2-OE1 3Å; R241-E304 IonicContact NH2-OE2 2.69Å; R241-T516 WeakPolarHBondContact CD-O 3.4Å; R241-A518 HydrophobicContact CB-CB 4.24Å; R241-A518 HydrophobicContact CG-CB 4.12Å; R241-L521 HydrophobicContact CB-CD1 4.16Å
242	M	86.8	Confident	84.3	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-43.4	174.6	-176.3	-148.1	-66.5	0	0	113	R95 L97 L107 Y238 R240 A246 A518	R95-M242 VanDerWaalsContact CZ-CG 3.44Å; R95-M242 PolarHBondContact NE-SD 3.38Å; L97-M242 HydrophobicContact CD2-CE 4.41Å; L97-M242 HydrophobicContact CD2-SD 3.89Å; L107-M242 HydrophobicContact CD2-SD 3.81Å; Y238-M242 HydrophobicContact CD1-CE 3.82Å; Y238-M242 HydrophobicContact CE1-CE 3.1Å; Y238-M242 VanDerWaalsContact O-CB 3.23Å; Y238-M242 WeakPolarHBondContact O-CB 3.44Å; Y238-M242 PolarHBondContact O-N 2.98Å; R240-M242 VanDerWaalsContact C-N 3.33Å; R240-M242 PolarHBondContact O-N 3.04Å; M242-A246 WeakPolarHBondContact O-CB 3.32Å; M242-A246 PolarHBondContact O-N 3.13Å; M242-A246 VanDerWaalsContact O-N 3.1Å; M242-A518 HydrophobicContact CB-CB 4.15Å
243	A	85.8	Confident	82.9	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-68.8	-38	177.9	0	0	0	0	0	112.5	I94 L107 F116 V239 R240 R241 T247	I94-A243 HydrophobicContact CD1-CB 4.33Å; I94-A243 HydrophobicContact CG2-CB 4.17Å; L107-A243 HydrophobicContact CD2-CB 4.08Å; F116-A243 HydrophobicContact CD1-CB 4.27Å; F116-A243 HydrophobicContact CE1-CB 3.5Å; F116-A243 HydrophobicContact CZ-CB 3.8Å; V239-A243 WeakPolarHBondContact O-CB 3.49Å; V239-A243 PolarHBondContact O-N 3.11Å; R240-A243 PolarHBondContact O-N 3.4Å; R241-A243 PolarHBondContact O-N 3.15Å; A243-T247 WeakPolarHBondContact O-CB 3.39Å; A243-T247 PolarHBondContact O-N 3.12Å; A243-T247 VanDerWaalsContact O-N 3.11Å; A243-T247 PolarHBondContact O-OG1 3.41Å
244	A	81.9	Confident	81.2	Confident	16 Å²	16	50.1 Å²	50.1	13%	0.132	29%	0.287	C	S	.	.	H	α-helix	trans	-69.9	-41	175.9	0	0	0	0	0	112.5	R240 R241 T247 E248	R240-A244 PolarHBondContact O-N 2.88Å; R241-A244 PolarHBondContact O-N 3Å; A244-T247 WeakPolarHBondContact O-CA 3.3Å; A244-T247 VanDerWaalsContact O-CB 3.26Å; A244-T247 WeakPolarHBondContact O-CB 3.24Å; A244-T247 PolarHBondContact O-N 2.98Å; A244-T247 VanDerWaalsContact O-N 3.13Å; A244-E248 WeakPolarHBondContact O-CG 3.47Å; A244-E248 PolarHBondContact O-N 2.86Å
245	E	83.3	Confident	79.6	Confident	37 Å²	37	54 Å²	54	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-49.7	173	-78.8	175.7	-178	0	0	111.4	R241 T247 E248 W249 R517 A518	R241-E245 HydrophobicContact CG-CG 4.4Å; R241-E245 WeakPolarHBondContact O-CB 3.21Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 3Å; E245-T247 PolarHBondContact O-N 3.29Å; E245-E248 PolarHBondContact O-N 3.24Å; E245-W249 HydrophobicContact CB-CH2 3.69Å; E245-W249 HydrophobicContact CB-CZ2 3.65Å; E245-W249 HydrophobicContact CB-CZ3 4.38Å; E245-W249 HydrophobicContact CG-CZ2 4.32Å; E245-W249 PolarHBondContact O-N 3.08Å; E245-W249 VanDerWaalsContact O-N 3.15Å; E245-R517 VanDerWaalsContact OE1-CA 3.29Å; E245-R517 WeakPolarHBondContact OE1-CA 3.35Å; E245-A518 PolarHBondContact OE1-N 3.44Å; E245-A518 WeakPolarHBondContact OE2-CB 3.01Å
246	A	80.6	Confident	78.2	Confident	6 Å²	6	50.3 Å²	50.3	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-33.9	174.6	0	0	0	0	0	112.7	I94 R95 M242 W249 Q250	I94-A246 HydrophobicContact CG2-CB 4.14Å; R95-A246 HydrophobicContact CB-CB 4.01Å; R95-A246 HydrophobicContact CG-CB 4.24Å; M242-A246 WeakPolarHBondContact O-CB 3.32Å; M242-A246 PolarHBondContact O-N 3.13Å; M242-A246 VanDerWaalsContact O-N 3.1Å; A246-W249 HydrophobicContact CB-CE3 4.48Å; A246-W249 HydrophobicContact CB-CZ3 4.42Å; A246-Q250 VanDerWaalsContact O-CG 3.26Å; A246-Q250 WeakPolarHBondContact O-CG 3.36Å; A246-Q250 PolarHBondContact O-N 3.06Å; A246-Q250 PolarHBondContact O-NE2 3.2Å
247	T	76.9	Confident	76.8	Confident	10 Å²	10	50.8 Å²	50.8	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-72.5	-42.5	175.7	-64.4	0	0	0	0	112.7	A243 A244 E245 W249 Q250 K251 L297	A243-T247 WeakPolarHBondContact O-CB 3.39Å; A243-T247 PolarHBondContact O-N 3.12Å; A243-T247 VanDerWaalsContact O-N 3.11Å; A243-T247 PolarHBondContact O-OG1 3.41Å; A244-T247 WeakPolarHBondContact O-CA 3.3Å; A244-T247 VanDerWaalsContact O-CB 3.26Å; A244-T247 WeakPolarHBondContact O-CB 3.24Å; A244-T247 PolarHBondContact O-N 2.98Å; A244-T247 VanDerWaalsContact O-N 3.13Å; E245-T247 PolarHBondContact O-N 3.29Å; T247-W249 VanDerWaalsContact C-N 3.31Å; T247-W249 PolarHBondContact O-N 3.36Å; T247-Q250 PolarHBondContact O-N 2.96Å; T247-K251 HydrophobicContact CG2-CD 4.07Å; T247-K251 HydrophobicContact CG2-CG 4.4Å; T247-K251 WeakPolarHBondContact O-CG 3.15Å; T247-K251 PolarHBondContact O-N 3.21Å; T247-L297 HydrophobicContact CG2-CD1 3.32Å; T247-L297 HydrophobicContact CG2-CD2 3.53Å; T247-L297 HydrophobicContact CG2-CG 3.98Å; T247-L297 VanDerWaalsContact OG1-CD2 3.24Å; T247-L297 WeakPolarHBondContact OG1-CD2 3.25Å
248	E	77.9	Confident	75.5	Confident	86 Å²	86	49.3 Å²	49.3	40%	0.402	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-39.5	-179.5	-75.9	-179	-154.5	0	0	110.9	A244 E245 K251 A252 K515	A244-E248 WeakPolarHBondContact O-CG 3.47Å; A244-E248 PolarHBondContact O-N 2.86Å; E245-E248 PolarHBondContact O-N 3.24Å; E248-K251 PolarHBondContact O-N 3.2Å; E248-A252 VanDerWaalsContact O-CB 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.41Å; E248-A252 PolarHBondContact O-N 3.2Å; E248-K515 IonicContact OE1-NZ 2.64Å; E248-K515 PolarHBondContact OE1-NZ 3.2Å; E248-K515 IonicContact OE2-NZ 3.09Å; E248-K515 PolarHBondContact OE2-NZ 3.33Å
249	W	74.7	Confident	74	Confident	63 Å²	63	49.8 Å²	49.8	24%	0.239	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-43.3	173.4	-51.4	-36.7	0	0	0	112.5	E245 A246 T247 K251 A252 G253 A254 P256 P257	E245-W249 HydrophobicContact CB-CH2 3.69Å; E245-W249 HydrophobicContact CB-CZ2 3.65Å; E245-W249 HydrophobicContact CB-CZ3 4.38Å; E245-W249 HydrophobicContact CG-CZ2 4.32Å; E245-W249 PolarHBondContact O-N 3.08Å; E245-W249 VanDerWaalsContact O-N 3.15Å; A246-W249 HydrophobicContact CB-CE3 4.48Å; A246-W249 HydrophobicContact CB-CZ3 4.42Å; T247-W249 VanDerWaalsContact C-N 3.31Å; T247-W249 PolarHBondContact O-N 3.36Å; W249-K251 PolarHBondContact O-N 3.36Å; W249-A252 PolarHBondContact O-N 3Å; W249-G253 PolarHBondContact O-N 3.12Å; W249-A254 PolarHBondContact O-N 2.75Å; W249-A254 VanDerWaalsContact O-N 3.07Å; W249-P256 HydrophobicContact CE3-CB 3.97Å; W249-P256 HydrophobicContact CZ3-CB 4.34Å; W249-P257 HydrophobicContact CH2-CG 3.48Å; W249-P257 VanDerWaalsContact CH2-CG 3.48Å; W249-P257 HydrophobicContact CZ2-CG 3.51Å; W249-P257 VanDerWaalsContact CZ3-CD 3.42Å; W249-P257 HydrophobicContact CZ3-CG 4.07Å
250	Q	71.9	Confident	72.5	Confident	74 Å²	74	50.4 Å²	50.4	35%	0.346	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-41.8	175.5	-72.8	168	58.8	0	0	112.7	I83 I94 A246 T247 G253	I83-Q250 VanDerWaalsContact CG2-OE1 3.25Å; I94-Q250 PolarHBondContact O-NE2 3.19Å; I94-Q250 VanDerWaalsContact O-NE2 3.09Å; A246-Q250 VanDerWaalsContact O-CG 3.26Å; A246-Q250 WeakPolarHBondContact O-CG 3.36Å; A246-Q250 PolarHBondContact O-N 3.06Å; A246-Q250 PolarHBondContact O-NE2 3.2Å; T247-Q250 PolarHBondContact O-N 2.96Å; Q250-G253 PolarHBondContact O-N 2.84Å
251	K	70.6	Confident	71.2	Confident	144 Å²	144	48.2 Å²	48.2	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-68.1	-37.9	176	-74.5	177.6	176.8	174.4	0	112.2	T247 E248 W249 G253	T247-K251 HydrophobicContact CG2-CD 4.07Å; T247-K251 HydrophobicContact CG2-CG 4.4Å; T247-K251 WeakPolarHBondContact O-CG 3.15Å; T247-K251 PolarHBondContact O-N 3.21Å; E248-K251 PolarHBondContact O-N 3.2Å; W249-K251 PolarHBondContact O-N 3.36Å; K251-G253 VanDerWaalsContact C-N 3.31Å
252	A	74	Confident	70.5	Confident	78 Å²	78	48.5 Å²	48.5	65%	0.645	31%	0.306	S	S	*	.	H	α-helix	trans	-74.7	-18.6	177.9	0	0	0	0	0	113.6	E248 W249 A254	E248-A252 VanDerWaalsContact O-CB 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.41Å; E248-A252 PolarHBondContact O-N 3.2Å; W249-A252 PolarHBondContact O-N 3Å; A252-A254 HydrophobicContact CB-CB 4.05Å; A252-A254 PolarHBondContact O-N 3.01Å
253	G	68.1	Low	69.8	Low	71 Å²	71	50 Å²	50	73%	0.732	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	18.7	-167.8	0	0	0	0	0	113.1	W249 Q250 K251	W249-G253 PolarHBondContact O-N 3.12Å; Q250-G253 PolarHBondContact O-N 2.84Å; K251-G253 VanDerWaalsContact C-N 3.31Å
254	A	61.7	Low	69	Low	45 Å²	45	52.3 Å²	52.3	37%	0.372	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-83.3	150.5	179.9	0	0	0	0	0	110.8	W249 A252	W249-A254 PolarHBondContact O-N 2.75Å; W249-A254 VanDerWaalsContact O-N 3.07Å; A252-A254 HydrophobicContact CB-CB 4.05Å; A252-A254 PolarHBondContact O-N 3.01Å
255	P	60.2	Low	68.5	Low	108 Å²	108	51.8 Å²	51.8	70%	0.701	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-62.8	151.9	165.7	29.8	-34.7	0	0	0	110.3
256	P	62.5	Low	67.9	Low	29 Å²	29	52.9 Å²	52.9	19%	0.188	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63.7	160.9	167.5	33.2	-40.1	0	0	0	111	W249 S258 A261 V262	W249-P256 HydrophobicContact CE3-CB 3.97Å; W249-P256 HydrophobicContact CZ3-CB 4.34Å; P256-S258 WeakPolarHBondContact CG-O 3.27Å; P256-S258 PolarHBondContact O-N 3.11Å; P256-A261 HydrophobicContact CB-CB 4.09Å; P256-A261 HydrophobicContact CG-CB 4.47Å; P256-V262 HydrophobicContact CG-CB 4.43Å; P256-V262 HydrophobicContact CG-CG1 3.72Å; P256-V262 HydrophobicContact CG-CG2 4Å
257	P	56.6	Low	67	Low	104 Å²	104	60.7 Å²	60.7	68%	0.675	37%	0.372	S	S	*	.	S	Bend	trans	-75.5	-2.1	175.9	33.7	-38	0	0	0	114	W249	W249-P257 HydrophobicContact CH2-CG 3.48Å; W249-P257 VanDerWaalsContact CH2-CG 3.48Å; W249-P257 HydrophobicContact CZ2-CG 3.51Å; W249-P257 VanDerWaalsContact CZ3-CD 3.42Å; W249-P257 HydrophobicContact CZ3-CG 4.07Å
258	S	61.6	Low	66.1	Low	27 Å²	27	65 Å²	65	19%	0.189	39%	0.391	C	S	.	.	S	Bend	trans	-140.2	134.7	175.1	143.4	0	0	0	0	108.5	D64 P256 S260 A261	D64-S258 PolarHBondContact O-OG 3.04Å; P256-S258 WeakPolarHBondContact CG-O 3.27Å; P256-S258 PolarHBondContact O-N 3.11Å; S258-S260 VanDerWaalsContact C-N 3.3Å; S258-S260 PolarHBondContact O-N 3.33Å; S258-S260 PolarHBondContact OG-N 3.29Å; S258-S260 PolarHBondContact OG-OG 2.78Å; S258-A261 PolarHBondContact O-N 3.24Å
259	G	57.3	Low	64.6	Low	28 Å²	28	70 Å²	70	29%	0.289	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-60.6	-37.9	-179.2	0	0	0	0	0	112.8	D64 Q67 A261 V262	D64-G259 PolarHBondContact O-N 3.17Å; D64-G259 VanDerWaalsContact O-N 3.09Å; Q67-G259 PolarHBondContact NE2-O 3.1Å; G259-A261 PolarHBondContact O-N 2.79Å; G259-V262 VanDerWaalsContact O-CG2 3.29Å; G259-V262 WeakPolarHBondContact O-CG2 3.47Å
260	S	57.9	Low	63.2	Low	17 Å²	17	71.3 Å²	71.3	12%	0.119	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-63.5	-22.4	-177.1	75.8	0	0	0	0	114.5	D64 K96 S258 V262	D64-S260 WeakPolarHBondContact O-CB 3.4Å; D64-S260 PolarHBondContact O-N 3.29Å; K96-S260 WeakPolarHBondContact CD-O 3.42Å; S258-S260 VanDerWaalsContact C-N 3.3Å; S258-S260 PolarHBondContact O-N 3.33Å; S258-S260 PolarHBondContact OG-N 3.29Å; S258-S260 PolarHBondContact OG-OG 2.78Å; S260-V262 VanDerWaalsContact C-N 3.31Å; S260-V262 PolarHBondContact O-N 3.3Å
261	A	59.3	Low	61.6	Low	9 Å²	9	76.1 Å²	76.1	7%	0.074	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-75	-10.2	-171.8	0	0	0	0	0	115.5	K96 P256 S258 G259	K96-A261 WeakPolarHBondContact CB-O 3.36Å; K96-A261 PolarHBondContact N-O 3Å; P256-A261 HydrophobicContact CB-CB 4.09Å; P256-A261 HydrophobicContact CG-CB 4.47Å; S258-A261 PolarHBondContact O-N 3.24Å; G259-A261 PolarHBondContact O-N 2.79Å
262	V	71.9	Confident	61	Low	60 Å²	60	72 Å²	72	36%	0.364	45%	0.453	S	S	.	.	S	Bend	trans	-109	159.9	-179.4	-83	0	0	0	0	113.6	Q67 P256 G259 S260 T264	Q67-V262 PolarHBondContact NE2-O 2.95Å; Q67-V262 VanDerWaalsContact NE2-O 3.11Å; P256-V262 HydrophobicContact CG-CB 4.43Å; P256-V262 HydrophobicContact CG-CG1 3.72Å; P256-V262 HydrophobicContact CG-CG2 4Å; G259-V262 VanDerWaalsContact O-CG2 3.29Å; G259-V262 WeakPolarHBondContact O-CG2 3.47Å; S260-V262 VanDerWaalsContact C-N 3.31Å; S260-V262 PolarHBondContact O-N 3.3Å; V262-T264 PolarHBondContact O-N 3.39Å
263	S	72.1	Confident	59.9	Low	35 Å²	35	78.6 Å²	78.6	25%	0.245	47%	0.468	C	S	.	.			trans	-75.4	115.8	172	-174.4	0	0	0	0	111.3	V81 A265	V81-S263 WeakPolarHBondContact O-CB 3.41Å; V81-S263 PolarHBondContact O-OG 3Å; S263-A265 VanDerWaalsContact C-N 3.33Å; S263-A265 WeakPolarHBondContact OG-CB 3.49Å; S263-A265 PolarHBondContact OG-N 3.47Å
264	T	68.6	Low	59.6	Low	51 Å²	51	78.7 Å²	78.7	31%	0.313	45%	0.45	S	S	.	.			trans	-85.1	-5.2	170	37.5	0	0	0	0	113.2	Q67 E68 V262	Q67-T264 HydrophobicContact CB-CG2 3.94Å; Q67-T264 HydrophobicContact CG-CG2 3.7Å; Q67-T264 PolarHBondContact OE1-OG1 3.16Å; E68-T264 PolarHBondContact OE1-OG1 3.23Å; V262-T264 PolarHBondContact O-N 3.39Å
265	A	70.7	Confident	60.4	Low	6 Å²	6	80 Å²	80	5%	0.05	46%	0.456	C	S	.	.	S	Bend	trans	-48	123.2	179.4	0	0	0	0	0	111.9	Y73 P80 S263 Q267	Y73-A265 HydrophobicContact CD1-CB 4.28Å; Y73-A265 HydrophobicContact CE1-CB 3.65Å; Y73-A265 HydrophobicContact CE2-CB 4.32Å; P80-A265 HydrophobicContact CB-CB 3.85Å; S263-A265 VanDerWaalsContact C-N 3.33Å; S263-A265 WeakPolarHBondContact OG-CB 3.49Å; S263-A265 PolarHBondContact OG-N 3.47Å; A265-Q267 PolarHBondContact O-N 3Å
266	P	70.9	Confident	61.1	Low	59 Å²	59	83.9 Å²	83.9	38%	0.383	46%	0.462	S	S	.	.			trans	-50.1	127.2	-171.2	-33	35.9	0	0	0	114.3	P70 Y73 Q268	P70-P266 HydrophobicContact CB-CG 4.3Å; Y73-P266 VanDerWaalsContact CD2-CD 3.4Å; Y73-P266 HydrophobicContact CD2-CG 4.23Å; Y73-P266 VanDerWaalsContact CG-CD 3.49Å; Y73-P266 HydrophobicContact CG-CG 4.3Å; P266-Q268 PolarHBondContact O-N 2.85Å
267	Q	62.3	Low	61.8	Low	171 Å²	171	88.3 Å²	88.3	80%	0.799	48%	0.484	S	S	*	.			trans	-58.3	106.4	175.1	-73.8	-70.7	-15.1	0	0	109.7	A265 K269	A265-Q267 PolarHBondContact O-N 3Å; Q267-K269 PolarHBondContact O-N 3.34Å
268	Q	57	Low	62.6	Low	99 Å²	99	90.5 Å²	90.5	46%	0.463	48%	0.484	S	S	.	.			trans	-53.9	104.6	-175.5	-72.5	165.8	-11.2	0	0	110.8	M167 P266	M167-Q268 HydrophobicContact CE-CG 4.41Å; M167-Q268 VanDerWaalsContact CE-NE2 3.28Å; P266-Q268 PolarHBondContact O-N 2.85Å
269	K	46.5	Very low	63.1	Low	191 Å²	191	96.1 Å²	96.1	83%	0.83	50%	0.504	S	S	*	.			trans	-58.2	122.7	172.7	-69.6	177.9	-178.2	171.2	0	107.8	Q267 I271	Q267-K269 PolarHBondContact O-N 3.34Å; K269-I271 PolarHBondContact O-N 2.98Å
270	P	45.6	Very low	64.1	Low	92 Å²	92	102.4 Å²	102.4	60%	0.597	52%	0.524	S	S	*	.			trans	-68	109.2	-174.7	26.2	-34	0	0	0	110.1	G272 I274	P270-G272 PolarHBondContact O-N 3.23Å; P270-G272 VanDerWaalsContact O-N 3.1Å; P270-I274 HydrophobicContact CB-CD1 3.72Å; P270-I274 HydrophobicContact CB-CG1 4.16Å
271	I	39.4	Very low	65	Low	175 Å²	175	109.9 Å²	109.9	90%	0.897	55%	0.554	S	S	*	*	S	Bend	trans	-67.2	109.3	174.7	-58.2	176.9	0	0	0	107.9	K269	K269-I271 PolarHBondContact O-N 2.98Å
272	G	57.8	Low	65.2	Low	58 Å²	58	113.5 Å²	113.5	60%	0.598	57%	0.572	S	S	*	*	S	Bend	trans	79.9	166.2	-179.5	0	0	0	0	0	115.5	P270 I274	P270-G272 PolarHBondContact O-N 3.23Å; P270-G272 VanDerWaalsContact O-N 3.1Å; G272-I274 PolarHBondContact O-N 2.82Å
273	K	50.9	Low	65.2	Low	216 Å²	216	118.2 Å²	118.2	94%	0.939	59%	0.587	S	S	*	*			trans	-69.6	97	175.3	-70.3	175.6	-178	169	0	109.6	S275	K273-S275 PolarHBondContact O-N 3.29Å
274	I	60.7	Low	65.4	Low	73 Å²	73	122.9 Å²	122.9	37%	0.374	60%	0.603	S	S	.	*			trans	-53.2	112.8	178.1	-61.9	178.7	0	0	0	110.3	P270 G272 K278 K279	P270-I274 HydrophobicContact CB-CD1 3.72Å; P270-I274 HydrophobicContact CB-CG1 4.16Å; G272-I274 PolarHBondContact O-N 2.82Å; I274-K278 HydrophobicContact CG2-CB 3.83Å; I274-K278 HydrophobicContact CG2-CD 4.44Å; I274-K278 HydrophobicContact CG2-CG 4.05Å; I274-K279 HydrophobicContact CG2-CB 3.97Å
275	S	78.5	Confident	65.6	Low	71 Å²	71	126.6 Å²	126.6	50%	0.497	62%	0.615	S	S	.	*			trans	-47.4	143.6	176.5	165.1	0	0	0	0	112.1	K273 N277 K278 K279	K273-S275 PolarHBondContact O-N 3.29Å; S275-N277 PolarHBondContact O-N 2.98Å; S275-N277 VanDerWaalsContact O-N 3.1Å; S275-N277 PolarHBondContact OG-N 2.87Å; S275-K278 WeakPolarHBondContact O-CA 3.27Å; S275-K278 PolarHBondContact O-N 2.88Å; S275-K279 PolarHBondContact O-N 3.34Å
276	K	75.7	Confident	65.1	Low	190 Å²	190	131.6 Å²	131.6	83%	0.826	64%	0.638	S	S	*	*	H	α-helix	trans	-50.5	-38.5	178.1	-65.5	179.6	-176.9	173.3	0	111.6	K280	K276-K280 VanDerWaalsContact O-CB 3.32Å; K276-K280 WeakPolarHBondContact O-CB 3.21Å; K276-K280 PolarHBondContact O-N 2.92Å
277	N	77.3	Confident	65.1	Low	122 Å²	122	135.1 Å²	135.1	65%	0.652	65%	0.647	S	S	*	*	H	α-helix	trans	-72.2	-40.7	177.4	-73.6	-8.1	0	0	0	112.8	S275 K280 K281	S275-N277 PolarHBondContact O-N 2.98Å; S275-N277 VanDerWaalsContact O-N 3.1Å; S275-N277 PolarHBondContact OG-N 2.87Å; N277-K280 PolarHBondContact O-N 2.78Å; N277-K281 PolarHBondContact O-N 2.99Å
278	K	73.1	Confident	65.6	Low	151 Å²	151	135 Å²	135	66%	0.657	64%	0.639	S	S	*	*	H	α-helix	trans	-64.6	-39.6	174.8	-164.8	169.4	-174.5	173.3	0	110.9	I274 S275 K281 L282	I274-K278 HydrophobicContact CG2-CB 3.83Å; I274-K278 HydrophobicContact CG2-CD 4.44Å; I274-K278 HydrophobicContact CG2-CG 4.05Å; S275-K278 WeakPolarHBondContact O-CA 3.27Å; S275-K278 PolarHBondContact O-N 2.88Å; K278-K281 PolarHBondContact O-N 3.48Å; K278-L282 WeakPolarHBondContact O-CB 3.38Å; K278-L282 PolarHBondContact O-N 2.88Å
279	K	71.9	Confident	65.7	Low	144 Å²	144	132.6 Å²	132.6	63%	0.626	63%	0.628	S	S	*	*	H	α-helix	trans	-66.3	-38.1	173.1	-163.1	169.9	-174.5	173.2	0	112.5	I274 S275 K283	I274-K279 HydrophobicContact CG2-CB 3.97Å; S275-K279 PolarHBondContact O-N 3.34Å; K279-K283 WeakPolarHBondContact O-CB 3.49Å; K279-K283 PolarHBondContact O-N 3.37Å
280	K	77.3	Confident	66.3	Low	160 Å²	160	126.1 Å²	126.1	70%	0.696	61%	0.61	S	S	*	*	H	α-helix	trans	-68.7	-42.6	174.8	-168.4	176.8	-179.2	-177.6	0	112.1	K276 N277 K284	K276-K280 VanDerWaalsContact O-CB 3.32Å; K276-K280 WeakPolarHBondContact O-CB 3.21Å; K276-K280 PolarHBondContact O-N 2.92Å; N277-K280 PolarHBondContact O-N 2.78Å; K280-K284 WeakPolarHBondContact O-CB 3.19Å; K280-K284 PolarHBondContact O-N 3.15Å
281	K	77.1	Confident	67.6	Low	175 Å²	175	125.8 Å²	125.8	76%	0.761	60%	0.6	S	S	*	*	H	α-helix	trans	-59.5	-47.8	170.7	-93.7	-173.2	174.9	179	0	110.9	N277 K278 K284 K285	N277-K281 PolarHBondContact O-N 2.99Å; K278-K281 PolarHBondContact O-N 3.48Å; K281-K284 PolarHBondContact O-N 3.07Å; K281-K285 PolarHBondContact O-N 3.28Å
282	L	65	Low	68.9	Low	85 Å²	85	120.3 Å²	120.3	45%	0.445	57%	0.573	S	S	.	*	H	α-helix	trans	-61.3	-48.2	179.1	-173.3	65.2	0	0	0	112.1	K278 K284 K285 Q286	K278-L282 WeakPolarHBondContact O-CB 3.38Å; K278-L282 PolarHBondContact O-N 2.88Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 2.95Å; L282-K285 PolarHBondContact O-N 2.92Å; L282-K285 VanDerWaalsContact O-N 3.12Å; L282-Q286 WeakPolarHBondContact O-CG 3.45Å; L282-Q286 PolarHBondContact O-N 3.42Å
283	K	70.9	Confident	69	Low	158 Å²	158	119.4 Å²	119.4	69%	0.687	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-30.9	176.7	-166.7	171.5	-176.5	177.7	0	112.5	K279 K287	K279-K283 WeakPolarHBondContact O-CB 3.49Å; K279-K283 PolarHBondContact O-N 3.37Å; K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 PolarHBondContact O-N 2.84Å
284	K	76.8	Confident	69.9	Low	134 Å²	134	114.8 Å²	114.8	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-71.8	-36	172.1	-168.6	176.7	-178	-179.5	0	112.4	K280 K281 L282 R288	K280-K284 WeakPolarHBondContact O-CB 3.19Å; K280-K284 PolarHBondContact O-N 3.15Å; K281-K284 PolarHBondContact O-N 3.07Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 2.95Å; K284-R288 WeakPolarHBondContact O-CB 3.35Å; K284-R288 PolarHBondContact O-N 2.83Å
285	K	71.6	Confident	70.4	Confident	129 Å²	129	117 Å²	117	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-48.2	171.8	-168.1	-170.3	174.6	-172.1	0	110.5	K281 L282 K287 R288 Q289	K281-K285 PolarHBondContact O-N 3.28Å; L282-K285 PolarHBondContact O-N 2.92Å; L282-K285 VanDerWaalsContact O-N 3.12Å; K285-K287 PolarHBondContact O-N 3.45Å; K285-R288 PolarHBondContact O-N 2.82Å; K285-Q289 PolarHBondContact O-N 3.21Å
286	Q	60	Low	70	Confident	111 Å²	111	115.2 Å²	115.2	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-44.8	176.1	-73.5	176.8	-41.1	0	0	112.4	L282 R288 Q289 A290	L282-Q286 WeakPolarHBondContact O-CG 3.45Å; L282-Q286 PolarHBondContact O-N 3.42Å; Q286-R288 VanDerWaalsContact C-N 3.33Å; Q286-R288 PolarHBondContact O-N 3.07Å; Q286-Q289 PolarHBondContact O-N 3.3Å; Q286-A290 WeakPolarHBondContact O-CB 3.49Å; Q286-A290 PolarHBondContact O-N 2.78Å
287	K	72.1	Confident	69.4	Low	133 Å²	133	107.3 Å²	107.3	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-61.1	-42.6	175.3	-161.9	-177.1	-168.5	-94.5	0	111.3	K283 K285 Q289 A290 E291	K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 PolarHBondContact O-N 2.84Å; K285-K287 PolarHBondContact O-N 3.45Å; K287-Q289 PolarHBondContact O-N 3.17Å; K287-A290 PolarHBondContact O-N 3.47Å; K287-E291 WeakPolarHBondContact CD-OE1 3.08Å; K287-E291 WeakPolarHBondContact CE-OE1 3.29Å; K287-E291 HydrophobicContact CG-CG 4.28Å; K287-E291 IonicContact NZ-OE1 2.73Å; K287-E291 PolarHBondContact NZ-OE1 2.81Å; K287-E291 WeakPolarHBondContact O-CB 3.46Å; K287-E291 WeakPolarHBondContact O-CG 3.33Å; K287-E291 PolarHBondContact O-N 3.27Å
288	R	72.1	Confident	69	Low	167 Å²	167	106.7 Å²	106.7	63%	0.63	49%	0.485	S	S	*	.	H	α-helix	trans	-64	-37.2	174.4	-81	-178.2	165.7	-172.3	-7.2	113.5	K284 K285 Q286 E291 L292	K284-R288 WeakPolarHBondContact O-CB 3.35Å; K284-R288 PolarHBondContact O-N 2.83Å; K285-R288 PolarHBondContact O-N 2.82Å; Q286-R288 VanDerWaalsContact C-N 3.33Å; Q286-R288 PolarHBondContact O-N 3.07Å; R288-E291 WeakPolarHBondContact CA-OE2 3.21Å; R288-L292 VanDerWaalsContact O-CB 3.23Å; R288-L292 WeakPolarHBondContact O-CB 3.25Å; R288-L292 PolarHBondContact O-N 2.97Å
289	Q	59.4	Low	69	Low	50 Å²	50	101.6 Å²	101.6	23%	0.234	46%	0.463	C	S	.	.	H	α-helix	trans	-66.5	-39.7	173.5	-77.4	176.8	-98.7	0	0	111.2	G84 K285 Q286 K287 L292 L293	G84-Q289 PolarHBondContact O-NE2 2.9Å; K285-Q289 PolarHBondContact O-N 3.21Å; Q286-Q289 PolarHBondContact O-N 3.3Å; K287-Q289 PolarHBondContact O-N 3.17Å; Q289-L292 PolarHBondContact O-N 1.96Å; Q289-L293 VanDerWaalsContact O-CB 3.28Å; Q289-L293 WeakPolarHBondContact O-CB 3.18Å; Q289-L293 PolarHBondContact O-N 2.68Å
290	A	59.3	Low	68.8	Low	55 Å²	55	95.5 Å²	95.5	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-42.8	175.3	0	0	0	0	0	112.8	Q286 K287 L292 L293 E294	Q286-A290 WeakPolarHBondContact O-CB 3.49Å; Q286-A290 PolarHBondContact O-N 2.78Å; K287-A290 PolarHBondContact O-N 3.47Å; A290-L292 VanDerWaalsContact C-N 3.32Å; A290-L292 PolarHBondContact O-N 2.86Å; A290-L293 PolarHBondContact O-N 3.02Å; A290-E294 VanDerWaalsContact O-CB 3.3Å; A290-E294 WeakPolarHBondContact O-CB 3.43Å; A290-E294 PolarHBondContact O-N 3.5Å
291	E	71.6	Confident	68.5	Low	84 Å²	84	92.4 Å²	92.4	39%	0.393	43%	0.425	S	S	.	.	H	α-helix	trans	-62.3	-38.2	173.2	-72	162.6	167.1	0	0	111.6	K287 R288 K295	K287-E291 WeakPolarHBondContact CD-OE1 3.08Å; K287-E291 WeakPolarHBondContact CE-OE1 3.29Å; K287-E291 HydrophobicContact CG-CG 4.28Å; K287-E291 IonicContact NZ-OE1 2.73Å; K287-E291 PolarHBondContact NZ-OE1 2.81Å; K287-E291 WeakPolarHBondContact O-CB 3.46Å; K287-E291 WeakPolarHBondContact O-CG 3.33Å; K287-E291 PolarHBondContact O-N 3.27Å; R288-E291 WeakPolarHBondContact CA-OE2 3.21Å; E291-K295 PolarHBondContact O-N 3.47Å; E291-K295 VanDerWaalsContact O-N 3.1Å
292	L	68.6	Low	68.6	Low	60 Å²	60	89.7 Å²	89.7	31%	0.314	42%	0.415	S	S	.	.	H	α-helix	trans	-68.3	-46.6	175	-164.5	82.6	0	0	0	111	R288 Q289 A290 K295 R296	R288-L292 VanDerWaalsContact O-CB 3.23Å; R288-L292 WeakPolarHBondContact O-CB 3.25Å; R288-L292 PolarHBondContact O-N 2.97Å; Q289-L292 PolarHBondContact O-N 1.96Å; A290-L292 VanDerWaalsContact C-N 3.32Å; A290-L292 PolarHBondContact O-N 2.86Å; L292-K295 PolarHBondContact O-N 3.48Å; L292-R296 HydrophobicContact CG-CG 4.5Å; L292-R296 WeakPolarHBondContact O-CB 3.4Å; L292-R296 WeakPolarHBondContact O-CG 3.37Å; L292-R296 PolarHBondContact O-N 3.16Å
293	L	59.8	Low	68.8	Low	39 Å²	39	88.4 Å²	88.4	20%	0.204	41%	0.409	C	S	.	.	H	α-helix	trans	-58.2	-50.3	175.6	174.3	62.1	0	0	0	110.5	Q289 A290 K295 R296 L297	Q289-L293 VanDerWaalsContact O-CB 3.28Å; Q289-L293 WeakPolarHBondContact O-CB 3.18Å; Q289-L293 PolarHBondContact O-N 2.68Å; A290-L293 PolarHBondContact O-N 3.02Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 3.43Å; L293-R296 WeakPolarHBondContact O-CB 3.26Å; L293-R296 PolarHBondContact O-N 3.31Å; L293-L297 HydrophobicContact CD1-CD1 3.91Å; L293-L297 HydrophobicContact CD1-CD2 4.38Å; L293-L297 HydrophobicContact CD1-CG 4.05Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.44Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 2.74Å
294	E	68.2	Low	68.5	Low	119 Å²	119	82.4 Å²	82.4	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-55.9	-44.7	177.8	-175.1	167.9	-148.1	0	0	112.2	A290 L297 Q298	A290-E294 VanDerWaalsContact O-CB 3.3Å; A290-E294 WeakPolarHBondContact O-CB 3.43Å; A290-E294 PolarHBondContact O-N 3.5Å; E294-L297 PolarHBondContact O-N 2.75Å; E294-Q298 WeakPolarHBondContact O-CG 3.48Å; E294-Q298 PolarHBondContact O-N 2.96Å
295	K	72.9	Confident	68.3	Low	121 Å²	121	80.4 Å²	80.4	53%	0.526	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-40.3	173.2	-177.4	172.7	177.9	176.1	0	113	E291 L292 L293 L297 Q298 E299	E291-K295 PolarHBondContact O-N 3.47Å; E291-K295 VanDerWaalsContact O-N 3.1Å; L292-K295 PolarHBondContact O-N 3.48Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 3.43Å; K295-L297 PolarHBondContact O-N 2.96Å; K295-Q298 WeakPolarHBondContact O-CB 3.48Å; K295-Q298 PolarHBondContact O-N 2.95Å; K295-E299 WeakPolarHBondContact CE-OE1 3.26Å; K295-E299 PolarHBondContact O-N 2.9Å
296	R	68.3	Low	68.5	Low	32 Å²	32	78.5 Å²	78.5	12%	0.121	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-33.8	177.3	-73.1	-74	176.8	-104.2	-13.8	111.9	M111 L292 L293 E299 I300	M111-R296 PolarHBondContact SD-NE 2.91Å; M111-R296 PolarHBondContact SD-NH2 3.35Å; L292-R296 HydrophobicContact CG-CG 4.5Å; L292-R296 WeakPolarHBondContact O-CB 3.4Å; L292-R296 WeakPolarHBondContact O-CG 3.37Å; L292-R296 PolarHBondContact O-N 3.16Å; L293-R296 WeakPolarHBondContact O-CB 3.26Å; L293-R296 PolarHBondContact O-N 3.31Å; R296-E299 IonicContact CZ-OE2 2.88Å; R296-E299 IonicContact NE-OE2 2.95Å; R296-E299 IonicContact NH1-OE1 2.86Å; R296-E299 PolarHBondContact NH1-OE1 3.48Å; R296-E299 IonicContact NH1-OE2 2.79Å; R296-E299 PolarHBondContact NH1-OE2 2.86Å; R296-E299 PolarHBondContact O-N 2.68Å; R296-I300 VanDerWaalsContact O-CG1 3.29Å; R296-I300 WeakPolarHBondContact O-CG1 3.29Å; R296-I300 PolarHBondContact O-N 3.06Å
297	L	64.3	Low	69	Low	24 Å²	24	74.5 Å²	74.5	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-36.2	176.3	-64.9	166.4	0	0	0	111.7	T247 L293 E294 K295 I300 E301	T247-L297 HydrophobicContact CG2-CD1 3.32Å; T247-L297 HydrophobicContact CG2-CD2 3.53Å; T247-L297 HydrophobicContact CG2-CG 3.98Å; T247-L297 VanDerWaalsContact OG1-CD2 3.24Å; T247-L297 WeakPolarHBondContact OG1-CD2 3.25Å; L293-L297 HydrophobicContact CD1-CD1 3.91Å; L293-L297 HydrophobicContact CD1-CD2 4.38Å; L293-L297 HydrophobicContact CD1-CG 4.05Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.44Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 2.74Å; E294-L297 PolarHBondContact O-N 2.75Å; K295-L297 PolarHBondContact O-N 2.96Å; L297-I300 PolarHBondContact O-N 2.75Å; L297-E301 VanDerWaalsContact O-CB 3.29Å; L297-E301 WeakPolarHBondContact O-CB 3.42Å; L297-E301 PolarHBondContact O-N 2.95Å
298	Q	69.8	Low	68.9	Low	109 Å²	109	73.6 Å²	73.6	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-40.7	170.1	-67.9	166.8	-7.2	0	0	111.7	E294 K295 E301 E302	E294-Q298 WeakPolarHBondContact O-CG 3.48Å; E294-Q298 PolarHBondContact O-N 2.96Å; K295-Q298 WeakPolarHBondContact O-CB 3.48Å; K295-Q298 PolarHBondContact O-N 2.95Å; Q298-E301 PolarHBondContact O-N 3.4Å; Q298-E302 VanDerWaalsContact O-CB 3.29Å; Q298-E302 WeakPolarHBondContact O-CB 3.23Å; Q298-E302 PolarHBondContact O-N 2.92Å
299	E	72.6	Confident	69.1	Low	44 Å²	44	74.1 Å²	74.1	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-39.8	173	-71.2	173.3	-163.4	0	0	112.1	K295 R296 L303	K295-E299 WeakPolarHBondContact CE-OE1 3.26Å; K295-E299 PolarHBondContact O-N 2.9Å; R296-E299 IonicContact CZ-OE2 2.88Å; R296-E299 IonicContact NE-OE2 2.95Å; R296-E299 IonicContact NH1-OE1 2.86Å; R296-E299 PolarHBondContact NH1-OE1 3.48Å; R296-E299 IonicContact NH1-OE2 2.79Å; R296-E299 PolarHBondContact NH1-OE2 2.86Å; R296-E299 PolarHBondContact O-N 2.68Å; E299-L303 VanDerWaalsContact O-CG 3.32Å; E299-L303 WeakPolarHBondContact O-CG 3.41Å; E299-L303 PolarHBondContact O-N 3.49Å; E299-L303 VanDerWaalsContact O-N 3.1Å
300	I	67.9	Low	69.9	Low	17 Å²	17	76.7 Å²	76.7	9%	0.087	36%	0.362	C	S	.	.	H	α-helix	trans	-69.2	-45.2	176.6	-70.6	163.7	0	0	0	111.2	W109 F116 R296 L297 E302 L303 E304	W109-I300 HydrophobicContact CD2-CD1 4.27Å; W109-I300 HydrophobicContact CD2-CG1 4.39Å; W109-I300 HydrophobicContact CE3-CD1 4.42Å; W109-I300 HydrophobicContact CE3-CG1 4.44Å; W109-I300 HydrophobicContact CH2-CG1 4.33Å; W109-I300 HydrophobicContact CZ2-CG1 4.27Å; W109-I300 HydrophobicContact CZ3-CG1 4.41Å; F116-I300 HydrophobicContact CE1-CD1 4.32Å; F116-I300 HydrophobicContact CZ-CD1 4.25Å; F116-I300 HydrophobicContact CZ-CG1 4.5Å; F116-I300 HydrophobicContact CZ-CG2 4.23Å; R296-I300 VanDerWaalsContact O-CG1 3.29Å; R296-I300 WeakPolarHBondContact O-CG1 3.29Å; R296-I300 PolarHBondContact O-N 3.06Å; L297-I300 PolarHBondContact O-N 2.75Å; I300-E302 VanDerWaalsContact C-N 3.26Å; I300-E302 PolarHBondContact O-N 2.93Å; I300-L303 CarbonylContact O-C 3.59Å; I300-L303 PolarHBondContact O-N 3.47Å; I300-L303 VanDerWaalsContact O-N 3.17Å; I300-E304 PolarHBondContact O-N 3.12Å
301	E	70.3	Confident	70.6	Confident	94 Å²	94	78.6 Å²	78.6	44%	0.439	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-30.6	177.9	-166.1	-157.5	115.9	0	0	112.2	L297 Q298 R305	L297-E301 VanDerWaalsContact O-CB 3.29Å; L297-E301 WeakPolarHBondContact O-CB 3.42Å; L297-E301 PolarHBondContact O-N 2.95Å; Q298-E301 PolarHBondContact O-N 3.4Å; E301-R305 PolarHBondContact O-N 3.42Å; E301-R305 PolarHBondContact O-NE 3.33Å; E301-R305 IonicContact OE1-CZ 3.85Å; E301-R305 IonicContact OE1-NE 3.84Å; E301-R305 PolarHBondContact OE1-NE 3.25Å; E301-R305 IonicContact OE1-NH2 3.84Å; E301-R305 PolarHBondContact OE1-NH2 2.75Å
302	E	78.6	Confident	70.7	Confident	118 Å²	118	79.5 Å²	79.5	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-70.6	-41.6	171.8	-174.1	149.5	-109.4	0	0	112.2	Q298 I300 E304 R305 E306	Q298-E302 VanDerWaalsContact O-CB 3.29Å; Q298-E302 WeakPolarHBondContact O-CB 3.23Å; Q298-E302 PolarHBondContact O-N 2.92Å; I300-E302 VanDerWaalsContact C-N 3.26Å; I300-E302 PolarHBondContact O-N 2.93Å; E302-E304 VanDerWaalsContact C-N 3.32Å; E302-E304 PolarHBondContact O-N 3.16Å; E302-R305 PolarHBondContact O-N 3.43Å; E302-R305 IonicContact OE1-NH1 2.62Å; E302-E306 PolarHBondContact O-N 3.31Å
303	L	68.9	Low	70.9	Confident	59 Å²	59	82.7 Å²	82.7	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-69.6	-24	172.1	-69.9	169.4	0	0	0	113.5	W109 R240 E299 I300 A307	W109-L303 HydrophobicContact CH2-CD1 3.85Å; W109-L303 HydrophobicContact CZ2-CD1 4Å; R240-L303 PolarHBondContact NH1-O 2.84Å; E299-L303 VanDerWaalsContact O-CG 3.32Å; E299-L303 WeakPolarHBondContact O-CG 3.41Å; E299-L303 PolarHBondContact O-N 3.49Å; E299-L303 VanDerWaalsContact O-N 3.1Å; I300-L303 CarbonylContact O-C 3.59Å; I300-L303 PolarHBondContact O-N 3.47Å; I300-L303 VanDerWaalsContact O-N 3.17Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 2.86Å
304	E	65	Low	71.4	Confident	32 Å²	32	87 Å²	87	15%	0.15	40%	0.402	C	S	.	.	H	α-helix	trans	-67	-54.2	165.6	-74	-172.4	150.7	0	0	109.8	R241 I300 E302 E306 A307 E308	R241-E304 IonicContact CZ-OE1 2.93Å; R241-E304 IonicContact NH2-OE1 3.36Å; R241-E304 PolarHBondContact NH2-OE1 3Å; R241-E304 IonicContact NH2-OE2 2.69Å; I300-E304 PolarHBondContact O-N 3.12Å; E302-E304 VanDerWaalsContact C-N 3.32Å; E302-E304 PolarHBondContact O-N 3.16Å; E304-E306 VanDerWaalsContact C-N 3.26Å; E304-E306 PolarHBondContact O-N 2.85Å; E304-A307 PolarHBondContact O-N 3.43Å; E304-A307 VanDerWaalsContact O-N 3.1Å; E304-E308 WeakPolarHBondContact O-CG 3.42Å; E304-E308 PolarHBondContact O-N 3.25Å
305	R	72.8	Confident	71.2	Confident	92 Å²	92	86.2 Å²	86.2	35%	0.347	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-29.4	178.4	-79.3	-178.4	-88.7	101.8	-4.5	114.2	E301 E302 R309	E301-R305 PolarHBondContact O-N 3.42Å; E301-R305 PolarHBondContact O-NE 3.33Å; E301-R305 IonicContact OE1-CZ 3.85Å; E301-R305 IonicContact OE1-NE 3.84Å; E301-R305 PolarHBondContact OE1-NE 3.25Å; E301-R305 IonicContact OE1-NH2 3.84Å; E301-R305 PolarHBondContact OE1-NH2 2.75Å; E302-R305 PolarHBondContact O-N 3.43Å; E302-R305 IonicContact OE1-NH1 2.62Å; R305-R309 VanDerWaalsContact O-CD 3.26Å; R305-R309 WeakPolarHBondContact O-CD 3.37Å; R305-R309 WeakPolarHBondContact O-CG 3.45Å; R305-R309 PolarHBondContact O-N 3.16Å
306	E	76.9	Confident	71.1	Confident	88 Å²	88	86.2 Å²	86.2	41%	0.411	41%	0.406	S	S	.	.	H	α-helix	trans	-76.1	-40.1	174	-161.6	-167.7	148.8	0	0	112	E302 E304 R309 K310	E302-E306 PolarHBondContact O-N 3.31Å; E304-E306 VanDerWaalsContact C-N 3.26Å; E304-E306 PolarHBondContact O-N 2.85Å; E306-R309 PolarHBondContact O-N 3.02Å; E306-K310 PolarHBondContact O-N 2.91Å; E306-K310 VanDerWaalsContact O-N 3.15Å; E306-K310 VanDerWaalsContact OE1-CE 3.24Å; E306-K310 WeakPolarHBondContact OE1-CE 3.44Å; E306-K310 IonicContact OE1-NZ 2.67Å; E306-K310 PolarHBondContact OE1-NZ 2.89Å
307	A	68.8	Low	70.5	Confident	28 Å²	28	89.7 Å²	89.7	23%	0.231	43%	0.431	C	S	.	.	H	α-helix	trans	-66.7	-43.5	176.7	0	0	0	0	0	112	L303 E304 R309 K310 I311	L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 2.86Å; E304-A307 PolarHBondContact O-N 3.43Å; E304-A307 VanDerWaalsContact O-N 3.1Å; A307-R309 VanDerWaalsContact C-N 3.29Å; A307-R309 PolarHBondContact O-N 2.96Å; A307-K310 PolarHBondContact O-N 3.1Å; A307-I311 WeakPolarHBondContact O-CG1 3.47Å; A307-I311 PolarHBondContact O-N 2.87Å
308	E	71	Confident	69.8	Low	114 Å²	114	92.9 Å²	92.9	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-58.1	-41	174.3	-72.3	-179.9	164	0	0	111.8	E304 I311 I312	E304-E308 WeakPolarHBondContact O-CG 3.42Å; E304-E308 PolarHBondContact O-N 3.25Å; E308-I311 PolarHBondContact O-N 2.68Å; E308-I312 WeakPolarHBondContact O-CB 3.41Å; E308-I312 WeakPolarHBondContact O-CD1 3.26Å; E308-I312 VanDerWaalsContact O-CG1 3.23Å; E308-I312 WeakPolarHBondContact O-CG1 3.32Å; E308-I312 PolarHBondContact O-N 3.09Å
309	R	76.8	Confident	68.4	Low	178 Å²	178	91.3 Å²	91.3	67%	0.672	46%	0.461	S	S	*	.	H	α-helix	trans	-61.6	-46.5	175.7	-76.6	166.5	-173.7	-94.1	-1	112.2	R305 E306 A307 I312 E313	R305-R309 VanDerWaalsContact O-CD 3.26Å; R305-R309 WeakPolarHBondContact O-CD 3.37Å; R305-R309 WeakPolarHBondContact O-CG 3.45Å; R305-R309 PolarHBondContact O-N 3.16Å; E306-R309 PolarHBondContact O-N 3.02Å; A307-R309 VanDerWaalsContact C-N 3.29Å; A307-R309 PolarHBondContact O-N 2.96Å; R309-I312 PolarHBondContact O-N 2.9Å; R309-E313 WeakPolarHBondContact O-CB 3.36Å; R309-E313 PolarHBondContact O-N 2.78Å
310	K	75.9	Confident	66.5	Low	104 Å²	104	92.9 Å²	92.9	45%	0.452	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-43.4	179.1	-70.7	174	-173.8	171.3	0	111.8	E306 A307 I312 E313 E314	E306-K310 PolarHBondContact O-N 2.91Å; E306-K310 VanDerWaalsContact O-N 3.15Å; E306-K310 VanDerWaalsContact OE1-CE 3.24Å; E306-K310 WeakPolarHBondContact OE1-CE 3.44Å; E306-K310 IonicContact OE1-NZ 2.67Å; E306-K310 PolarHBondContact OE1-NZ 2.89Å; A307-K310 PolarHBondContact O-N 3.1Å; K310-I312 VanDerWaalsContact C-N 3.3Å; K310-I312 PolarHBondContact O-N 3.41Å; K310-E313 PolarHBondContact O-N 3.39Å; K310-E313 VanDerWaalsContact O-N 3.16Å; K310-E314 WeakPolarHBondContact O-CB 3.3Å; K310-E314 WeakPolarHBondContact O-CG 3.25Å; K310-E314 PolarHBondContact O-N 3.03Å
311	I	73.4	Confident	65.1	Low	95 Å²	95	97.7 Å²	97.7	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-60.7	-40.4	174.7	-66.6	165.4	0	0	0	110.9	A307 E308 N315	A307-I311 WeakPolarHBondContact O-CG1 3.47Å; A307-I311 PolarHBondContact O-N 2.87Å; E308-I311 PolarHBondContact O-N 2.68Å; I311-N315 WeakPolarHBondContact CG2-ND2 3.42Å; I311-N315 WeakPolarHBondContact O-CB 3.33Å; I311-N315 PolarHBondContact O-N 2.65Å; I311-N315 PolarHBondContact O-ND2 3.02Å
312	I	73.3	Confident	63.4	Low	102 Å²	102	98.3 Å²	98.3	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-40.1	175.9	-70.5	164.5	0	0	0	111.2	E308 R309 K310 N315 I316	E308-I312 WeakPolarHBondContact O-CB 3.41Å; E308-I312 WeakPolarHBondContact O-CD1 3.26Å; E308-I312 VanDerWaalsContact O-CG1 3.23Å; E308-I312 WeakPolarHBondContact O-CG1 3.32Å; E308-I312 PolarHBondContact O-N 3.09Å; R309-I312 PolarHBondContact O-N 2.9Å; K310-I312 VanDerWaalsContact C-N 3.3Å; K310-I312 PolarHBondContact O-N 3.41Å; I312-N315 PolarHBondContact O-N 2.94Å; I312-I316 HydrophobicContact CG2-CD1 3.69Å; I312-I316 HydrophobicContact CG2-CG1 4.47Å; I312-I316 WeakPolarHBondContact O-CB 3.36Å; I312-I316 WeakPolarHBondContact O-CD1 3.29Å; I312-I316 VanDerWaalsContact O-CG1 3.23Å; I312-I316 WeakPolarHBondContact O-CG1 3.4Å; I312-I316 PolarHBondContact O-N 3.42Å
313	E	74.1	Confident	61.2	Low	128 Å²	128	100.3 Å²	100.3	60%	0.598	54%	0.543	S	S	*	.	H	α-helix	trans	-69.3	-41.3	-179.3	-166.2	160.5	-149.3	0	0	112.4	R309 K310 I316 T317	R309-E313 WeakPolarHBondContact O-CB 3.36Å; R309-E313 PolarHBondContact O-N 2.78Å; K310-E313 PolarHBondContact O-N 3.39Å; K310-E313 VanDerWaalsContact O-N 3.16Å; E313-I316 PolarHBondContact O-N 3.4Å; E313-T317 PolarHBondContact O-N 2.94Å; E313-T317 PolarHBondContact O-OG1 3.32Å
314	E	69.6	Low	59.6	Low	130 Å²	130	104.6 Å²	104.6	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-65	-40.3	171.7	-71.6	176.8	160.4	0	0	112.2	K310 T317 S318	K310-E314 WeakPolarHBondContact O-CB 3.3Å; K310-E314 WeakPolarHBondContact O-CG 3.25Å; K310-E314 PolarHBondContact O-N 3.03Å; E314-T317 WeakPolarHBondContact CA-OG1 3.5Å; E314-T317 PolarHBondContact O-N 3.43Å; E314-T317 PolarHBondContact O-OG1 2.89Å; E314-S318 WeakPolarHBondContact O-CB 3.4Å; E314-S318 PolarHBondContact O-N 3.49Å; E314-S318 PolarHBondContact O-OG 3.21Å
315	N	64.8	Low	58.2	Low	102 Å²	102	112.1 Å²	112.1	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-70.5	-29.5	175.4	-80	-64.9	0	0	0	113.2	I311 I312 S318 A319	I311-N315 WeakPolarHBondContact CG2-ND2 3.42Å; I311-N315 WeakPolarHBondContact O-CB 3.33Å; I311-N315 PolarHBondContact O-N 2.65Å; I311-N315 PolarHBondContact O-ND2 3.02Å; I312-N315 PolarHBondContact O-N 2.94Å; N315-S318 WeakPolarHBondContact CA-OG 3.44Å; N315-S318 PolarHBondContact O-OG 3.43Å; N315-A319 VanDerWaalsContact O-CB 3.27Å; N315-A319 WeakPolarHBondContact O-CB 3.24Å; N315-A319 PolarHBondContact O-N 3.17Å
316	I	70.4	Confident	56.4	Low	120 Å²	120	116 Å²	116	62%	0.615	63%	0.629	S	S	*	*	H	α-helix	trans	-74.4	-40.8	174.4	-73.5	166.7	0	0	0	110.9	I312 E313 A319	I312-I316 HydrophobicContact CG2-CD1 3.69Å; I312-I316 HydrophobicContact CG2-CG1 4.47Å; I312-I316 WeakPolarHBondContact O-CB 3.36Å; I312-I316 WeakPolarHBondContact O-CD1 3.29Å; I312-I316 VanDerWaalsContact O-CG1 3.23Å; I312-I316 WeakPolarHBondContact O-CG1 3.4Å; I312-I316 PolarHBondContact O-N 3.42Å; E313-I316 PolarHBondContact O-N 3.4Å; I316-A319 PolarHBondContact O-N 2.92Å
317	T	56.2	Low	54.1	Low	105 Å²	105	115.6 Å²	115.6	64%	0.644	65%	0.648	S	S	*	*	H	α-helix	trans	-72.3	-29.5	179.8	44.7	0	0	0	0	113.3	E313 E314	E313-T317 PolarHBondContact O-N 2.94Å; E313-T317 PolarHBondContact O-OG1 3.32Å; E314-T317 WeakPolarHBondContact CA-OG1 3.5Å; E314-T317 PolarHBondContact O-N 3.43Å; E314-T317 PolarHBondContact O-OG1 2.89Å
318	S	49.1	Very low	52.4	Low	91 Å²	91	123.3 Å²	123.3	64%	0.636	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-10.3	174	52.7	0	0	0	0	114.6	E314 N315	E314-S318 WeakPolarHBondContact O-CB 3.4Å; E314-S318 PolarHBondContact O-N 3.49Å; E314-S318 PolarHBondContact O-OG 3.21Å; N315-S318 WeakPolarHBondContact CA-OG 3.44Å; N315-S318 PolarHBondContact O-OG 3.43Å
319	A	40.6	Very low	50.1	Low	76 Å²	76	127.7 Å²	127.7	63%	0.628	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	10.6	-178.6	0	0	0	0	0	114.8	N315 I316 P321	N315-A319 VanDerWaalsContact O-CB 3.27Å; N315-A319 WeakPolarHBondContact O-CB 3.24Å; N315-A319 PolarHBondContact O-N 3.17Å; I316-A319 PolarHBondContact O-N 2.92Å; A319-P321 WeakPolarHBondContact O-CD 3.22Å
320	A	32.3	Very low	47.8	Very low	78 Å²	78	124.1 Å²	124.1	65%	0.645	69%	0.694	S	S	*	*			trans	-76.5	120.8	177.6	0	0	0	0	0	111.4
321	P	38.6	Very low	46	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	70%	0.702	S	S	*	*			trans	-74.8	129.9	179.5	29.7	-33.8	0	0	0	111.7	A319 N323	A319-P321 WeakPolarHBondContact O-CD 3.22Å; P321-N323 PolarHBondContact O-N 2.78Å; P321-N323 VanDerWaalsContact O-N 3.09Å
322	S	35.5	Very low	43.8	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	71%	0.713	S	S	*	*			trans	-71.7	96.2	172.4	53.5	0	0	0	0	111	D324	S322-D324 PolarHBondContact O-N 3.01Å
323	N	31.3	Very low	41.6	Very low	161 Å²	161	127.2 Å²	127.2	86%	0.861	72%	0.722	S	S	*	*			trans	-87.1	89.3	168.8	-104.2	8.7	0	0	0	109.8	P321	P321-N323 PolarHBondContact O-N 2.78Å; P321-N323 VanDerWaalsContact O-N 3.09Å
324	D	36	Very low	39.4	Very low	148 Å²	148	129.9 Å²	129.9	79%	0.791	73%	0.731	S	S	*	*			trans	-76.9	124.8	165.7	-68.9	-50.7	0	0	0	110.3	S322	S322-D324 PolarHBondContact O-N 3.01Å
325	Q	35.4	Very low	37.4	Very low	191 Å²	191	130.4 Å²	130.4	89%	0.893	74%	0.737	S	S	*	*			trans	-143.8	142.2	153.1	-74.3	-159.3	-11.6	0	0	109.7
326	D	33.7	Very low	35.6	Very low	173 Å²	173	134.1 Å²	134.1	93%	0.925	75%	0.749	S	S	*	*			trans	-73.3	155.1	-163.3	-52.8	-91.1	0	0	0	115.3
327	G	29.1	Very low	33.4	Very low	79 Å²	79	134.7 Å²	134.7	81%	0.814	76%	0.758	S	S	*	*			trans	-158.1	47.7	-174.4	0	0	0	0	0	114.3	Y329	G327-Y329 PolarHBondContact O-N 3.16Å
328	E	32.4	Very low	32	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	77%	0.765	S	S	*	*			trans	-35.2	118.2	176.8	177.8	-178.1	-136.4	0	0	116.7
329	Y	24.2	Very low	30.9	Very low	206 Å²	206	135 Å²	135	81%	0.808	77%	0.771	S	S	*	*			trans	-169.1	153.2	130.2	-153.8	-114.8	0	0	0	113.8	G327	G327-Y329 PolarHBondContact O-N 3.16Å
330	C	27.4	Very low	30.4	Very low	103 Å²	103	138.3 Å²	138.3	70%	0.696	78%	0.777	S	S	*	*			trans	-148.3	149.4	169.1	-149.2	0	0	0	0	108.1
331	P	39.2	Very low	30.2	Very low	97 Å²	97	142 Å²	142	63%	0.63	78%	0.782	S	S	*	*				-155.9	162.4	85.9	40.1	-20.2	0	0	0	118.9
332	E	26.6	Very low	29.8	Very low	155 Å²	155	144.8 Å²	144.8	72%	0.724	78%	0.784	S	S	*	*			trans	50	110.6	140.8	-66.1	-167.8	99.1	0	0	125.7
333	V	27.4	Very low	29.5	Very low	115 Å²	115	144.3 Å²	144.3	70%	0.697	79%	0.787	S	S	*	*				13.8	125.3	122.2	-146.5	0	0	0	0	120.3
334	K	27.8	Very low	29.3	Very low	184 Å²	184	141 Å²	141	80%	0.8	78%	0.782	S	S	*	*				-179	167.5	114.1	-97.3	158.7	-169.4	156.2	0	117.1
335	L	26.6	Very low	29.1	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	78%	0.784	S	S	*	*			trans	-79.3	154.8	-161.7	-89.3	66.2	0	0	0	117.3
336	K	28.1	Very low	28.7	Very low	181 Å²	181	139.4 Å²	139.4	79%	0.787	78%	0.778	S	S	*	*			trans	44.7	125.3	138.7	-63.8	-175.1	178.3	-175.3	0	121.5
337	T	23.9	Very low	28.4	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	77%	0.774	S	S	*	*				-176.5	126.1	120	27.4	0	0	0	0	106.1
338	T	27.4	Very low	28.4	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	78%	0.778	S	S	*	*				75.6	113	54.9	63.9	0	0	0	0	115.8
339	G	26.3	Very low	28.2	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	77%	0.771	S	S	*	*			trans	92.1	155.3	172.1	0	0	0	0	0	114.6
340	L	29.3	Very low	28.5	Very low	145 Å²	145	137.6 Å²	137.6	76%	0.759	77%	0.773	S	S	*	*			cis	-166.9	163.9	-12.1	-118.4	173.1	0	0	0	108.4
341	E	28.9	Very low	28.4	Very low	156 Å²	156	139.4 Å²	139.4	73%	0.729	78%	0.775	S	S	*	*			trans	60.9	164.8	163.3	-77.4	130.7	-146.6	0	0	117.4
342	E	28.4	Very low	27.8	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	78%	0.783	S	S	*	*			cis	-145.3	136.4	-3.6	-122.8	175.1	165.2	0	0	107.2
343	A	29.8	Very low	27.9	Very low	97 Å²	97	137.1 Å²	137.1	80%	0.802	78%	0.777	S	S	*	*				64.9	112.5	93.9	0	0	0	0	0	118.7
344	A	27.8	Very low	28.1	Very low	92 Å²	92	140.7 Å²	140.7	76%	0.76	79%	0.786	S	S	*	*			trans	-174.5	116.7	150.9	0	0	0	0	0	107.7
345	E	30.7	Very low	28.2	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	78%	0.775	S	S	*	*				57.9	85.5	82.3	-65.8	-162.5	165.6	0	0	113
346	T	27.7	Very low	28.4	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	78%	0.78	S	S	*	*				75.8	115.8	87.7	54.1	0	0	0	0	115.9
347	E	28.6	Very low	28.4	Very low	181 Å²	181	134.4 Å²	134.4	85%	0.846	77%	0.774	S	S	*	*				-178.3	134.9	114.1	-106.8	-165.4	-152.4	0	0	112.8
348	T	27.7	Very low	28.7	Very low	145 Å²	145	135.3 Å²	135.3	89%	0.89	77%	0.769	S	S	*	*				173	151.3	119.7	30	0	0	0	0	110.1
349	A	28.2	Very low	28.8	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	77%	0.767	S	S	*	*			trans	-125.8	146.2	-169.8	0	0	0	0	0	113.6
350	K	31	Very low	29.1	Very low	195 Å²	195	139.6 Å²	139.6	85%	0.848	76%	0.761	S	S	*	*			trans	178.1	126.2	137.1	-94.2	151.7	-177.8	-179.4	0	109.4
351	D	25	Very low	29.2	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	76%	0.755	S	S	*	*				84.7	132.8	52.7	-178.4	64.1	0	0	0	112.2
352	N	26.9	Very low	29.4	Very low	147 Å²	147	138.9 Å²	138.9	79%	0.786	75%	0.751	S	S	*	*			cis	-170.5	167.8	-45.1	-116.2	-0.8	0	0	0	107.9
353	G	28.1	Very low	29.4	Very low	58 Å²	58	137.5 Å²	137.5	60%	0.598	75%	0.749	S	S	*	*			trans	77	161.9	168.6	0	0	0	0	0	116.1
354	E	31.2	Very low	29.5	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.883	75%	0.748	S	S	*	*			cis	-171.4	151.2	-9.2	-109.7	126.5	-121.9	0	0	106.4
355	A	31.4	Very low	29.8	Very low	70 Å²	70	140.4 Å²	140.4	58%	0.579	75%	0.746	S	S	*	*			cis	-163.2	-174.6	-9.2	0	0	0	0	0	108.7
356	E	30.6	Very low	29.9	Very low	179 Å²	179	138 Å²	138	84%	0.836	73%	0.733	S	S	*	*			trans	67.6	149.1	150.2	-78.7	159.9	-151.2	0	0	119.1
357	D	28.5	Very low	30.2	Very low	125 Å²	125	139 Å²	139	67%	0.668	73%	0.73	S	S	*	*			cis	-157.4	-165.8	-13.7	-144.8	-19.5	0	0	0	112.7
358	Q	28.8	Very low	30.2	Very low	149 Å²	149	136.1 Å²	136.1	70%	0.696	72%	0.72	S	S	*	*			trans	-51.5	176.1	170.1	-63.6	152.5	96	0	0	114.1
359	E	30.3	Very low	30.3	Very low	157 Å²	157	136.3 Å²	136.3	73%	0.734	71%	0.714	S	S	*	*			cis	-173.4	162.1	39	-156.9	160	-145	0	0	112.9
360	E	31.8	Very low	30.3	Very low	138 Å²	138	139.9 Å²	139.9	65%	0.645	72%	0.715	S	S	*	*			trans	41.6	122.6	151.5	-78.2	-165.1	148.6	0	0	123.3
361	K	32.4	Very low	30.3	Very low	146 Å²	146	138.2 Å²	138.2	64%	0.635	71%	0.708	S	S	*	*				101.5	173.8	86.9	-87.1	-179.4	169.8	-176.7	0	115.8
362	E	32.8	Very low	30.4	Very low	139 Å²	139	136.5 Å²	136.5	65%	0.65	70%	0.699	S	S	*	*			cis	-146	148.9	-1.7	-138.1	161.1	-145.8	0	0	112.2
363	D	29	Very low	30.5	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	70%	0.698	S	S	*	*			trans	10.1	144.9	152.9	-59.2	-11.8	0	0	0	125.7
364	A	30.4	Very low	30.5	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	71%	0.707	S	S	*	*				-161.1	100.7	126	0	0	0	0	0	113.6
365	E	34.2	Very low	30.5	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	70%	0.703	S	S	*	*			trans	37.8	141.3	133	-57.7	-153.4	153.7	0	0	122.2
366	K	33.4	Very low	30.4	Very low	131 Å²	131	141.7 Å²	141.7	57%	0.57	71%	0.708	S	S	*	*			cis	-169.1	150.6	6.2	-120.5	176.2	-177.5	135.8	0	112.4
367	E	32.8	Very low	30.4	Very low	145 Å²	145	139.2 Å²	139.2	68%	0.678	70%	0.7	S	S	*	*			trans	52	153.8	141	-71.1	174.5	-128.4	0	0	120.6
368	N	28.6	Very low	30.4	Very low	120 Å²	120	140.6 Å²	140.6	64%	0.642	70%	0.702	S	S	*	*			cis	-164	163.2	-4.1	-120.7	-36.7	0	0	0	106.6
369	I	30	Very low	30.5	Very low	149 Å²	149	140.9 Å²	140.9	76%	0.764	70%	0.704	S	S	*	*			cis	-156.2	-175.4	0.1	-160.5	160.7	0	0	0	108.6
370	E	29.2	Very low	30.4	Very low	164 Å²	164	140.1 Å²	140.1	77%	0.766	70%	0.704	S	S	*	*			trans	-86.8	-175.2	177.5	-59.5	179.5	126	0	0	115
371	K	30.1	Very low	30.2	Very low	160 Å²	160	137.1 Å²	137.1	70%	0.696	70%	0.703	S	S	*	*			trans	92.8	141.5	157.9	-55.5	-162.2	144.5	-67.6	0	118.3
372	D	26.9	Very low	29.9	Very low	105 Å²	105	137.4 Å²	137.4	56%	0.561	71%	0.711	S	S	*	*			cis	-160.3	161.3	-11.2	-97.2	-18.4	0	0	0	109.6
373	E	29.8	Very low	29.7	Very low	164 Å²	164	138.8 Å²	138.8	77%	0.766	72%	0.722	S	S	*	*			trans	51.3	115.3	145	-65.5	174	176.5	0	0	123.1
374	D	28.3	Very low	29.5	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	72%	0.721	S	S	*	*				62.2	110.3	116.5	-59.2	-0.4	0	0	0	124.7
375	D	31	Very low	30.2	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	71%	0.711	S	S	*	*				82.8	163.6	111.8	-154.4	23.6	0	0	0	122.8
376	V	29.9	Very low	29.8	Very low	111 Å²	111	136.4 Å²	136.4	67%	0.673	71%	0.71	S	S	*	*			trans	80.6	85.2	161.8	-162.4	0	0	0	0	120.3
377	D	30.6	Very low	29.5	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	73%	0.725	S	S	*	*				62	144.1	118.3	-101.7	-40.8	0	0	0	126.2
378	Q	28.3	Very low	29.1	Very low	154 Å²	154	141.3 Å²	141.3	72%	0.72	73%	0.728	S	S	*	*			trans	66.8	154.5	144.5	-72.9	152.9	39.7	0	0	120.6
379	E	30.3	Very low	28.8	Very low	155 Å²	155	143.5 Å²	143.5	72%	0.724	73%	0.734	S	S	*	*			cis	-149.7	157.7	5.2	-137.9	-168.9	179.1	0	0	114.9
380	L	27.3	Very low	28.7	Very low	141 Å²	141	141.6 Å²	141.6	74%	0.738	73%	0.734	S	S	*	*			trans	29.7	113.5	150.4	-74.8	170.8	0	0	0	124.1
381	A	27.7	Very low	29	Very low	76 Å²	76	139.8 Å²	139.8	63%	0.628	74%	0.737	S	S	*	*				95.1	147.1	106.5	0	0	0	0	0	124.7
382	N	26.6	Very low	29	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	74%	0.744	S	S	*	*			trans	95.3	135.3	142.6	-76.4	-21.7	0	0	0	122.6
383	I	29.2	Very low	29	Very low	169 Å²	169	143.5 Å²	143.5	87%	0.867	76%	0.76	S	S	*	*			trans	91.5	123.8	158	-61.6	148.8	0	0	0	118.3
384	D	24.4	Very low	28.8	Very low	143 Å²	143	144 Å²	144	77%	0.765	77%	0.768	S	S	*	*			trans	-125	165.6	175.8	179.8	54.8	0	0	0	105.6
385	P	45.6	Very low	28.6	Very low	88 Å²	88	140.8 Å²	140.8	57%	0.571	77%	0.77	S	S	*	*			cis	-132.7	-157.8	1.8	19.7	8.5	0	0	0	114.1
386	T	26.5	Very low	28.2	Very low	115 Å²	115	142.1 Å²	142.1	71%	0.706	77%	0.771	S	S	*	*			trans	94.2	101.6	148.1	54	0	0	0	0	121.7
387	W	25.2	Very low	28	Very low	236 Å²	236	143 Å²	143	89%	0.894	77%	0.77	S	S	*	*				45.2	114.5	114.5	-80	82.8	0	0	0	120.3
388	I	25.4	Very low	27.7	Very low	142 Å²	142	144.1 Å²	144.1	73%	0.728	77%	0.771	S	S	*	*				163.3	138.6	118.5	-88.4	156.5	0	0	0	114.5
389	E	23.1	Very low	27.6	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	77%	0.773	S	S	*	*			trans	52.3	116.8	157.4	-76.8	166.6	-150.9	0	0	125
390	S	26.7	Very low	27.1	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	77%	0.774	S	S	*	*				62.4	175.4	116.3	-52	0	0	0	0	120.8
391	P	36.7	Very low	27.6	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	78%	0.775	S	S	*	*			cis	-127.7	-165.3	-9.9	37.9	-18.1	0	0	0	114.8
392	K	29.6	Very low	27.4	Very low	196 Å²	196	144.1 Å²	144.1	85%	0.852	79%	0.786	S	S	*	*			trans	-75.3	157.2	-179.7	-46.8	154.2	-178.6	172	0	114.5
393	T	26.6	Very low	27.3	Very low	147 Å²	147	140.7 Å²	140.7	90%	0.902	77%	0.774	S	S	*	*			trans	-158.6	165.5	143.1	25.5	0	0	0	0	112.7
394	N	24.8	Very low	27.2	Very low	175 Å²	175	140.8 Å²	140.8	94%	0.936	78%	0.775	S	S	*	*			trans	-95.2	159.9	-171.5	-63.9	-15.1	0	0	0	114.8
395	G	25	Very low	27.4	Very low	79 Å²	79	142.6 Å²	142.6	81%	0.814	78%	0.779	S	S	*	*			trans	-164	146.7	162.1	0	0	0	0	0	111.2
396	H	22.5	Very low	26.5	Very low	179 Å²	179	146.2 Å²	146.2	83%	0.829	79%	0.788	S	S	*	*			trans	-153.7	173	-171.3	-175.2	45.5	0	0	0	110.8
397	I	26.8	Very low	26.5	Very low	128 Å²	128	150.2 Å²	150.2	66%	0.656	80%	0.799	S	S	*	*			trans	75.7	129.1	173.1	-60.3	179.2	0	0	0	113.1
398	E	22.8	Very low	26.7	Very low	150 Å²	150	144.4 Å²	144.4	70%	0.701	79%	0.785	S	S	*	*			cis	-161.7	173.6	4.6	-136.1	171.4	-130.8	0	0	114.4
399	N	25.9	Very low	26.8	Very low	141 Å²	141	145.5 Å²	145.5	75%	0.754	79%	0.792	S	S	*	*			trans	72.6	131.9	154	-62.2	-40	0	0	0	122.8
400	G	21.6	Very low	27.2	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	79%	0.787	S	S	*	*			trans	-98.8	-149.5	168.8	0	0	0	0	0	112.9
401	P	36.1	Very low	27.6	Very low	117 Å²	117	147 Å²	147	76%	0.76	79%	0.792	S	S	*	*			cis	-146.4	178.5	36.9	43.1	-24.3	0	0	0	118.1
402	F	24.5	Very low	27.3	Very low	197 Å²	197	149.7 Å²	149.7	86%	0.864	79%	0.793	S	S	*	*			trans	65.9	150.9	154.4	-94.8	-131.7	0	0	0	119
403	S	24.3	Very low	27.4	Very low	79 Å²	79	147.5 Å²	147.5	55%	0.552	79%	0.791	S	S	*	*			cis	-166	156.5	-16.9	-143.8	0	0	0	0	111.4
404	L	27	Very low	27.5	Very low	170 Å²	170	148.8 Å²	148.8	89%	0.89	79%	0.792	S	S	*	*			trans	-158.8	160.1	140.7	-139.9	77.2	0	0	0	110.7
405	E	28.5	Very low	28	Very low	182 Å²	182	149.3 Å²	149.3	85%	0.85	79%	0.789	S	S	*	*			trans	-99.7	155.8	-149.6	-61.9	169.2	119.4	0	0	116.1
406	Q	26.9	Very low	28.3	Very low	163 Å²	163	155 Å²	155	76%	0.762	79%	0.794	S	S	*	*			trans	-86.9	161.8	162.8	-65.7	170.5	-88.9	0	0	110.9
407	Q	25.9	Very low	28.5	Very low	199 Å²	199	154 Å²	154	93%	0.93	80%	0.795	S	S	*	*			trans	-122.4	144.8	140.7	-78	-169	-39.2	0	0	109.3
408	L	30	Very low	28.7	Very low	114 Å²	114	153.4 Å²	153.4	60%	0.597	80%	0.801	S	S	*	*			trans	-98.7	168.8	-173.2	-65.9	161.9	0	0	0	111
409	D	27.2	Very low	29.2	Very low	166 Å²	166	152.6 Å²	152.6	89%	0.888	81%	0.808	S	S	*	*			trans	-161.5	146	130.7	-93.7	-22.3	0	0	0	106.8
410	D	31.7	Very low	29.4	Very low	126 Å²	126	153.4 Å²	153.4	67%	0.674	81%	0.813	S	S	*	*			trans	-107.8	-159.7	-148.6	-58.3	-62.8	0	0	0	115.9
411	E	34.3	Very low	30.3	Very low	181 Å²	181	155.1 Å²	155.1	85%	0.846	81%	0.811	S	S	*	*			trans	78.7	129.5	167.6	-61.1	175.9	-168.4	0	0	117.9
412	E	30.9	Very low	30	Very low	182 Å²	182	158.9 Å²	158.9	85%	0.85	82%	0.818	S	S	*	*			cis	-160.8	168.4	-16.6	-137	173.3	-166.6	0	0	108.9
413	D	32.2	Very low	30.3	Very low	151 Å²	151	156.6 Å²	156.6	81%	0.807	81%	0.81	S	S	*	*			trans	-81.6	158	-174.5	-71.2	-58.1	0	0	0	115.1
414	D	29.1	Very low	30.4	Very low	173 Å²	173	160.9 Å²	160.9	93%	0.925	82%	0.816	S	S	*	*			trans	-152.4	106	156.5	-106.3	-30.8	0	0	0	107.6
415	E	34.7	Very low	30.3	Very low	187 Å²	187	160 Å²	160	87%	0.874	81%	0.812	S	S	*	*			trans	-86.9	143.6	172.3	-67.8	-170.8	135.3	0	0	111.2
416	E	30.6	Very low	30.5	Very low	198 Å²	198	158.6 Å²	158.6	93%	0.925	81%	0.809	S	S	*	*			trans	-156.3	158.8	144.5	-127.4	178	-151.9	0	0	112.6
417	D	28.4	Very low	30.5	Very low	158 Å²	158	159 Å²	159	85%	0.845	82%	0.817	S	S	*	*			trans	-63.2	156.1	-153.3	-97.5	-51.6	0	0	0	119.7
418	C	29.7	Very low	30.9	Very low	116 Å²	116	157 Å²	157	78%	0.784	81%	0.807	S	S	*	*			trans	-104.5	133.1	160.2	-69.9	0	0	0	0	111.4
419	P	33.1	Very low	31.2	Very low	132 Å²	132	157.1 Å²	157.1	86%	0.857	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.8	128.4	162.7	-13.5	29.9	0	0	0	111.4
420	N	30	Very low	31.5	Very low	159 Å²	159	155.4 Å²	155.4	85%	0.85	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.9	163.2	172.3	-142.7	29.5	0	0	0	110.6
421	P	42.3	Very low	31.3	Very low	108 Å²	108	153.5 Å²	153.5	70%	0.701	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.4	161.9	-170.7	36.2	-34.9	0	0	0	113.7
422	E	29.5	Very low	31.5	Very low	196 Å²	196	154.1 Å²	154.1	92%	0.916	81%	0.81	S	S	*	*			trans	-112.9	139.7	164.8	-71	-170.1	137.9	0	0	111.7
423	E	29.3	Very low	31.3	Very low	148 Å²	148	149.2 Å²	149.2	69%	0.692	80%	0.797	S	S	*	*			trans	-68.6	171.9	168.1	-47.6	158.8	117.9	0	0	109.8
424	Y	27.6	Very low	31.1	Very low	169 Å²	169	149.8 Å²	149.8	66%	0.663	80%	0.799	S	S	*	*			cis	-149.4	158.8	12.8	-101.4	-72.2	0	0	0	108.7
425	N	24.9	Very low	30.9	Very low	151 Å²	151	151.8 Å²	151.8	81%	0.807	80%	0.795	S	S	*	*				174.5	141.4	105.1	-92.6	-69.6	0	0	0	111.9
426	L	31.4	Very low	30.5	Very low	153 Å²	153	148.7 Å²	148.7	80%	0.801	79%	0.789	S	S	*	*			trans	-92.5	144.5	158.6	-96	70.4	0	0	0	108.4
427	D	26.9	Very low	30.4	Very low	172 Å²	172	148.7 Å²	148.7	92%	0.92	78%	0.783	S	S	*	*			trans	-150.8	125.8	139.7	-105.9	-33.2	0	0	0	107.7
428	E	35.2	Very low	30.3	Very low	156 Å²	156	146.4 Å²	146.4	73%	0.729	78%	0.779	S	S	*	*			trans	-107.6	156.2	175.7	-143.3	-158.9	-107.4	0	0	108.4	N430	E428-N430 PolarHBondContact OE2-N 2.97Å
429	P	35.4	Very low	30.3	Very low	118 Å²	118	144 Å²	144	77%	0.766	76%	0.763	S	S	*	*				-147	136.2	92.2	35	-18.1	0	0	0	115.8
430	N	33.5	Very low	30.1	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	76%	0.758	S	S	*	*			trans	21	111.2	134.9	-169.1	19.1	0	0	0	118.6	E428	E428-N430 PolarHBondContact OE2-N 2.97Å
431	A	28.5	Very low	30.2	Very low	85 Å²	85	144 Å²	144	70%	0.702	75%	0.752	S	S	*	*			trans	-140.9	122.4	159	0	0	0	0	0	110.3
432	E	38.1	Very low	29.7	Very low	194 Å²	194	146.3 Å²	146.3	91%	0.907	75%	0.753	S	S	*	*			trans	-62	138.6	173.5	-63	176.1	136.2	0	0	110.6
433	S	27.5	Very low	29.6	Very low	80 Å²	80	145.3 Å²	145.3	56%	0.559	75%	0.748	S	S	*	*			trans	-148.5	116.5	171.9	37.7	0	0	0	0	111.8	Y435	S433-Y435 WeakPolarHBondContact O-CD2 3.3Å; S433-Y435 PolarHBondContact O-N 3.42Å; S433-Y435 VanDerWaalsContact O-N 3.14Å; S433-Y435 WeakPolarHBondContact OG-CE2 3.23Å
434	D	28.3	Very low	29.4	Very low	162 Å²	162	147 Å²	147	87%	0.866	75%	0.754	S	S	*	*			trans	-67.9	103.8	171.9	-72.3	-59.7	0	0	0	110.4	T436	D434-T436 VanDerWaalsContact C-N 3.3Å; D434-T436 PolarHBondContact O-N 3.24Å
435	Y	25.1	Very low	29.4	Very low	215 Å²	215	146.5 Å²	146.5	84%	0.843	76%	0.763	S	S	*	*			trans	-78.2	82.1	173.1	-84.5	-83.8	0	0	0	111.3	S433 Y437	S433-Y435 WeakPolarHBondContact O-CD2 3.3Å; S433-Y435 PolarHBondContact O-N 3.42Å; S433-Y435 VanDerWaalsContact O-N 3.14Å; S433-Y435 WeakPolarHBondContact OG-CE2 3.23Å; Y435-Y437 PolarHBondContact O-N 3.3Å
436	T	25.6	Very low	29.5	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	76%	0.755	S	S	*	*			trans	-56.3	127.2	168	-61.1	0	0	0	0	109.9	D434 S438	D434-T436 VanDerWaalsContact C-N 3.3Å; D434-T436 PolarHBondContact O-N 3.24Å; T436-S438 PolarHBondContact O-N 3.01Å
437	Y	28.8	Very low	29.3	Very low	199 Å²	199	144.3 Å²	144.3	78%	0.78	76%	0.761	S	S	*	*			trans	-66.3	95.3	177.6	-177.5	-95.1	0	0	0	110.6	Y435	Y435-Y437 PolarHBondContact O-N 3.3Å
438	S	24.9	Very low	29.3	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	76%	0.757	S	S	*	*			trans	-102.5	91.4	172.9	-169.5	0	0	0	0	109.1	T436 S440	T436-S438 PolarHBondContact O-N 3.01Å; S438-S440 PolarHBondContact O-N 2.84Å
439	S	31.4	Very low	29.1	Very low	65 Å²	65	142.2 Å²	142.2	46%	0.455	76%	0.76	S	S	.	*			trans	-68.9	122.7	174.1	-174.6	0	0	0	0	109.4	Y441	S439-Y441 PolarHBondContact O-N 3.12Å
440	S	27.6	Very low	28.7	Very low	106 Å²	106	144.5 Å²	144.5	74%	0.741	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-79.1	40.6	-170.8	62.8	0	0	0	0	113.9	S438	S438-S440 PolarHBondContact O-N 2.84Å
441	Y	32.7	Very low	28.4	Very low	184 Å²	184	141.5 Å²	141.5	72%	0.722	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-79.5	-18.4	-175.6	-148.8	-89.2	0	0	0	113.3	S439 Q443	S439-Y441 PolarHBondContact O-N 3.12Å; Y441-Q443 VanDerWaalsContact C-N 3.29Å; Y441-Q443 PolarHBondContact O-N 2.88Å
442	E	32.1	Very low	28.2	Very low	157 Å²	157	148.4 Å²	148.4	73%	0.734	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-83.8	14.7	-179.6	-68.5	-154.8	126.1	0	0	114.8	R604	E442-R604 IonicContact OE1-CZ 3.54Å; E442-R604 IonicContact OE1-NH1 3.37Å; E442-R604 PolarHBondContact OE1-NH1 2.89Å; E442-R604 IonicContact OE1-NH2 2.68Å
443	Q	26.7	Very low	27.7	Very low	175 Å²	175	148.1 Å²	148.1	82%	0.818	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-119.5	21.3	-172	-149.8	158.4	55.7	0	0	116.7	Y441	Y441-Q443 VanDerWaalsContact C-N 3.29Å; Y441-Q443 PolarHBondContact O-N 2.88Å
444	F	24.5	Very low	27.6	Very low	185 Å²	185	153 Å²	153	81%	0.811	78%	0.783	S	S	*	*			trans	-146.9	45.7	160.9	-149.7	-99.6	0	0	0	115.7
445	N	28.2	Very low	27.5	Very low	158 Å²	158	152.8 Å²	152.8	85%	0.845	78%	0.78	S	S	*	*			trans	-96.4	91.1	156.9	-81.3	12.9	0	0	0	108.6
446	G	26.2	Very low	27.8	Very low	63 Å²	63	148 Å²	148	65%	0.649	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.2	135.4	178	0	0	0	0	0	112.4	L448	G446-L448 PolarHBondContact O-N 3.29Å
447	E	28.1	Very low	27.8	Very low	195 Å²	195	151.4 Å²	151.4	91%	0.911	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.5	120	179.6	-59.1	178	134.5	0	0	111.6
448	L	27.8	Very low	27.6	Very low	160 Å²	160	147.3 Å²	147.3	84%	0.838	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-76.5	139.9	167.7	-77.5	172.2	0	0	0	110.9	G446 N450	G446-L448 PolarHBondContact O-N 3.29Å; L448-N450 PolarHBondContact O-N 3.43Å
449	P	29.4	Very low	27.6	Very low	123 Å²	123	151 Å²	151	80%	0.799	79%	0.788	S	S	*	*			trans	-85	113.9	-163.5	-8.7	27.7	0	0	0	112.7	G451	P449-G451 PolarHBondContact O-N 3.36Å; P449-G451 VanDerWaalsContact O-N 3.12Å
450	N	28.3	Very low	27.4	Very low	167 Å²	167	157.7 Å²	157.7	89%	0.893	81%	0.81	S	S	*	*			trans	-73.2	104.8	-177.6	-133.2	-32.7	0	0	0	112.2	L448 R452	L448-N450 PolarHBondContact O-N 3.43Å; N450-R452 PolarHBondContact O-N 3.31Å
451	G	26.3	Very low	27.5	Very low	67 Å²	67	158.2 Å²	158.2	69%	0.691	81%	0.811	S	S	*	*			trans	-70.6	83.4	-173.9	0	0	0	0	0	114.7	P449 H453	P449-G451 PolarHBondContact O-N 3.36Å; P449-G451 VanDerWaalsContact O-N 3.12Å; G451-H453 PolarHBondContact O-N 2.95Å
452	R	25.7	Very low	27.1	Very low	229 Å²	229	158.3 Å²	158.3	86%	0.864	82%	0.818	S	S	*	*			trans	-79.3	82.1	-169.8	-164.3	-177.1	-168.5	173.9	7.8	115.3	N450	N450-R452 PolarHBondContact O-N 3.31Å
453	H	27.5	Very low	26.8	Very low	189 Å²	189	161.2 Å²	161.2	88%	0.875	83%	0.828	S	S	*	*			trans	-84.7	152.4	164.3	-83.3	-100.9	0	0	0	112.7	G451	G451-H453 PolarHBondContact O-N 2.95Å
454	K	25	Very low	26.6	Very low	182 Å²	182	158.3 Å²	158.3	79%	0.791	83%	0.827	S	S	*	*			trans	-115.1	169.3	-173.5	-69.3	179.9	177.8	-178.7	0	111.7
455	I	26.3	Very low	26.6	Very low	157 Å²	157	155.5 Å²	155.5	81%	0.805	83%	0.826	S	S	*	*			trans	111.1	135.6	143.4	-58.2	177.8	0	0	0	112.8
456	P	29.8	Very low	26.5	Very low	116 Å²	116	152.7 Å²	152.7	75%	0.753	82%	0.818	S	S	*	*			cis	-122.2	-177.2	-11.1	36.3	-20	0	0	0	114
457	E	25.6	Very low	26.6	Very low	192 Å²	192	156.5 Å²	156.5	90%	0.897	82%	0.823	S	S	*	*			trans	-81.8	144.6	164.9	-57.6	160.6	119.3	0	0	111.6
458	S	26.6	Very low	26.5	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	82%	0.821	S	S	*	*			trans	-151.6	81	162.1	65.9	0	0	0	0	114.5
459	Q	24.3	Very low	26.4	Very low	187 Å²	187	154.9 Å²	154.9	87%	0.874	82%	0.822	S	S	*	*			trans	32.3	108.1	145.1	-62.6	175.4	-0.2	0	0	119.4
460	F	27	Very low	26.2	Very low	207 Å²	207	152.6 Å²	152.6	91%	0.908	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-62.9	146.5	150	-75.8	-96.4	0	0	0	110.9
461	P	28.7	Very low	26	Very low	117 Å²	117	149.8 Å²	149.8	76%	0.76	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.1	125.9	146.7	13.2	5	0	0	0	110
462	E	25.8	Very low	26.1	Very low	185 Å²	185	154.8 Å²	154.8	86%	0.864	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66.4	149.3	165.1	-56.4	173.1	120.5	0	0	110.4
463	F	24.5	Very low	26.2	Very low	219 Å²	219	152.3 Å²	152.3	96%	0.961	82%	0.823	S	S	*	*			trans	-144.2	145.7	144	-110.6	-75.6	0	0	0	111.4
464	S	23.8	Very low	27	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	82%	0.815	S	S	*	*			trans	-101.3	-178.6	-166.2	-161.7	0	0	0	0	113.6
465	T	24.7	Very low	27.2	Very low	127 Å²	127	147 Å²	147	78%	0.779	82%	0.82	S	S	*	*			trans	-84.4	151.6	-155.4	53.3	0	0	0	0	116.9
466	S	26.3	Very low	27.3	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	82%	0.818	S	S	*	*			trans	73.1	125.7	145.9	-159.6	0	0	0	0	119.8
467	L	26.8	Very low	27.1	Very low	142 Å²	142	144.7 Å²	144.7	74%	0.743	83%	0.825	S	S	*	*				179.9	146.6	101.2	-94.9	175.3	0	0	0	114.8
468	F	26.3	Very low	27	Very low	200 Å²	200	138.8 Å²	138.8	88%	0.877	82%	0.816	S	S	*	*			trans	69.7	167.2	160.9	-87.5	-74.7	0	0	0	121.3
469	S	25.7	Very low	27.2	Very low	121 Å²	121	138.5 Å²	138.5	85%	0.846	81%	0.813	S	S	*	*			trans	-132.4	153	-158.7	174.5	0	0	0	0	111.5
470	G	24.8	Very low	27.3	Very low	76 Å²	76	135.6 Å²	135.6	78%	0.784	81%	0.808	S	S	*	*			trans	-169.1	124.5	174.1	0	0	0	0	0	112
471	S	24.1	Very low	27.4	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	81%	0.805	S	S	*	*			trans	-95.4	151.6	178.7	173.4	0	0	0	0	111.4
472	L	28.1	Very low	27.4	Very low	172 Å²	172	132.6 Å²	132.6	90%	0.901	80%	0.802	S	S	*	*				-169.2	172.8	129.2	-101.6	167	0	0	0	112.3
473	E	28.9	Very low	27.6	Very low	177 Å²	177	132.8 Å²	132.8	83%	0.827	80%	0.803	S	S	*	*			trans	-112.3	178.9	-155.2	-107.3	-151.3	157.4	0	0	115.7
474	P	44.7	Very low	27.7	Very low	109 Å²	109	125.9 Å²	125.9	71%	0.708	79%	0.793	S	S	*	*			trans	-99.5	-177.1	-156.3	40.9	-40.2	0	0	0	116.5
475	V	28.8	Very low	27.9	Very low	151 Å²	151	126.2 Å²	126.2	92%	0.915	80%	0.796	S	S	*	*			trans	-135.3	151.4	167.4	-172.9	0	0	0	0	109.2
476	A	27.4	Very low	29.1	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	79%	0.792	S	S	*	*			trans	-142.7	164.2	-166	0	0	0	0	0	116.2
477	C	25.7	Very low	29.2	Very low	133 Å²	133	127.9 Å²	127.9	90%	0.899	80%	0.797	S	S	*	*			trans	79.7	130.4	147.7	-155.6	0	0	0	0	122
478	G	24.9	Very low	29.2	Very low	68 Å²	68	125.9 Å²	125.9	70%	0.701	79%	0.791	S	S	*	*			trans	102.1	154.2	146.3	0	0	0	0	0	118.7
479	S	29.7	Very low	29.4	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	79%	0.788	S	S	*	*			cis	-173.3	129.4	-17.9	-125.7	0	0	0	0	114.4
480	V	26.7	Very low	29.4	Very low	126 Å²	126	125.9 Å²	125.9	76%	0.764	78%	0.78	S	S	*	*			trans	49.7	164.9	149.8	-63.3	0	0	0	0	124.5
481	L	28.6	Very low	29.7	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	78%	0.777	S	S	*	*			trans	88.4	140.9	166.8	-53.7	-178.2	0	0	0	118
482	S	30.1	Very low	29.9	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	78%	0.778	S	S	*	*			cis	-160	-175.4	-21.3	-149.7	0	0	0	0	112.3
483	E	29.8	Very low	29.7	Very low	190 Å²	190	129.3 Å²	129.3	89%	0.888	77%	0.772	S	S	*	*			trans	-59	162	-171.1	-55.1	159.1	108.1	0	0	119.1
484	G	26.3	Very low	29.8	Very low	73 Å²	73	125.9 Å²	125.9	75%	0.753	77%	0.767	S	S	*	*			trans	160.1	136.6	158	0	0	0	0	0	117.4
485	S	27.7	Very low	29.6	Very low	120 Å²	120	126.3 Å²	126.3	84%	0.839	77%	0.77	S	S	*	*			trans	-152.9	-177	172.5	-47.9	0	0	0	0	109.1
486	P	50.6	Low	29.7	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	76%	0.758	S	S	*	*			cis	-135.8	-162.1	-8.2	29	-3	0	0	0	114
487	L	27.4	Very low	29.9	Very low	153 Å²	153	128.3 Å²	128.3	80%	0.801	76%	0.764	S	S	*	*			trans	75.2	151.7	163	-50.1	177	0	0	0	117.3
488	T	28.1	Very low	30	Very low	100 Å²	100	127.5 Å²	127.5	61%	0.613	75%	0.751	S	S	*	*			cis	-163.7	149.6	-7.2	14.1	0	0	0	0	111.5
489	E	29.8	Very low	30.4	Very low	175 Å²	175	136.1 Å²	136.1	82%	0.818	76%	0.762	S	S	*	*			trans	61.8	162.2	150.8	-71.5	159.8	-161.2	0	0	118.9
490	Q	26.1	Very low	30.6	Very low	147 Å²	147	135.9 Å²	135.9	69%	0.687	76%	0.76	S	S	*	*			cis	-155.6	146.4	17.4	-144.2	-172.3	-28.7	0	0	112
491	E	29.8	Very low	30.9	Very low	154 Å²	154	141.1 Å²	141.1	72%	0.72	77%	0.766	S	S	*	*			trans	38.6	156.5	135.8	-75.1	172.6	179.1	0	0	124.3
492	E	29.4	Very low	31.5	Very low	163 Å²	163	139.8 Å²	139.8	76%	0.762	77%	0.765	S	S	*	*			cis	-164.8	168.7	-18.6	-143.5	-157.5	-171.6	0	0	110.4
493	S	24.2	Very low	31.5	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	77%	0.771	S	S	*	*				172.8	137	127.8	45	0	0	0	0	114.1
494	S	29.2	Very low	31.4	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	77%	0.766	S	S	*	*			trans	-122.7	174.1	168.2	-63	0	0	0	0	110
495	P	42.3	Very low	32.2	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	77%	0.773	S	S	*	*				-155	131.6	87.9	37.1	-16	0	0	0	118.3
496	S	29.4	Very low	32.3	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	77%	0.771	S	S	*	*			trans	31.2	141.5	134.1	69.6	0	0	0	0	123.8
497	H	32.2	Very low	32.1	Very low	190 Å²	190	139.1 Å²	139.1	88%	0.88	77%	0.772	S	S	*	*				-154.9	129.5	109.7	-114.3	-64.8	0	0	0	113.5
498	D	28.7	Very low	32.6	Very low	116 Å²	116	138.3 Å²	138.3	62%	0.62	77%	0.774	S	S	*	*			trans	-100.3	151.5	177.2	162.7	54	0	0	0	112.4	S500	D498-S500 PolarHBondContact OD1-N 2.95Å; D498-S500 PolarHBondContact OD1-OG 3.06Å
499	R	31.8	Very low	32.7	Very low	249 Å²	249	137 Å²	137	94%	0.94	78%	0.781	S	S	*	*			trans	-149.6	72.1	157.9	-89.6	-155.2	167.4	169.8	-1.1	112.6
500	S	34.2	Very low	33	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	79%	0.785	S	S	*	*			trans	-63.4	143.6	168.1	-65.5	0	0	0	0	113.1	D498	D498-S500 PolarHBondContact OD1-N 2.95Å; D498-S500 PolarHBondContact OD1-OG 3.06Å
501	R	33	Very low	33.4	Very low	237 Å²	237	137.2 Å²	137.2	89%	0.894	79%	0.791	S	S	*	*			trans	-151.7	119.1	159.7	-174.5	177.9	-71.5	-156.6	-1.8	111.7
502	T	40.4	Very low	33.9	Very low	133 Å²	133	135.5 Å²	135.5	82%	0.816	79%	0.794	S	S	*	*			trans	-85.2	134.9	175.8	51	0	0	0	0	112.5
503	V	30.3	Very low	34.5	Very low	136 Å²	136	137.3 Å²	137.3	82%	0.824	80%	0.799	S	S	*	*			trans	-147.2	151.1	150.8	-153.7	0	0	0	0	110.6
504	S	27.4	Very low	35.7	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	80%	0.799	S	S	*	*			trans	-46.8	162.2	-176.6	-44.9	0	0	0	0	118.7
505	A	44.2	Very low	37.4	Very low	107 Å²	107	138 Å²	138	88%	0.884	79%	0.793	S	S	*	*			trans	-61.5	145.8	166.2	0	0	0	0	0	113.1
506	S	30.7	Very low	39.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	78%	0.779	S	S	*	*			trans	-144.4	146.8	159	-179.4	0	0	0	0	109.1	T508	S506-T508 PolarHBondContact O-N 3.46Å
507	S	45.3	Very low	41.7	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	78%	0.778	S	S	*	*			trans	-59.3	131.9	167	175.7	0	0	0	0	110.7
508	T	37.1	Very low	44	Very low	137 Å²	137	131 Å²	131	84%	0.84	74%	0.738	S	S	*	*				-177.4	136.3	119.3	33.9	0	0	0	0	109.9	S506	S506-T508 PolarHBondContact O-N 3.46Å
509	G	30.5	Very low	46.6	Very low	73 Å²	73	128.6 Å²	128.6	75%	0.753	73%	0.734	S	S	*	*			trans	107	81.7	164.5	0	0	0	0	0	115.3	L511	G509-L511 PolarHBondContact O-N 3.09Å
510	D	36.5	Very low	49.1	Very low	169 Å²	169	121.6 Å²	121.6	90%	0.904	72%	0.716	S	S	*	*			trans	-62.5	103.3	155.6	-82	-63.1	0	0	0	109
511	L	33.6	Very low	51.6	Low	157 Å²	157	120 Å²	120	82%	0.822	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-63.3	126.6	154.8	-77.9	163.7	0	0	0	106.7	G509 K513	G509-L511 PolarHBondContact O-N 3.09Å; L511-K513 PolarHBondContact O-N 3.26Å
512	P	40.3	Very low	54.3	Low	118 Å²	118	110.5 Å²	110.5	77%	0.766	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-61.3	118	-180	25.1	-32.9	0	0	0	108.6	A514	P512-A514 PolarHBondContact O-N 3.48Å; P512-A514 VanDerWaalsContact O-N 3.13Å
513	K	43.7	Very low	56.8	Low	200 Å²	200	105.9 Å²	105.9	87%	0.87	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-48.6	123.9	167.3	-70.1	178.5	178.3	177.7	0	107.2	L511 K515	L511-K513 PolarHBondContact O-N 3.26Å; K513-K515 PolarHBondContact O-N 3.18Å
514	A	48.3	Very low	59.9	Low	94 Å²	94	102.2 Å²	102.2	78%	0.777	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-54.9	119.9	177.9	0	0	0	0	0	108.1	P512 T516	P512-A514 PolarHBondContact O-N 3.48Å; P512-A514 VanDerWaalsContact O-N 3.13Å; A514-T516 PolarHBondContact O-N 3.26Å; A514-T516 VanDerWaalsContact O-N 3.08Å
515	K	65.6	Low	63.1	Low	137 Å²	137	96.9 Å²	96.9	60%	0.596	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.6	178.9	-72.6	-175.8	-178.9	177.3	0	107.9	E248 K513 R517	E248-K515 IonicContact OE1-NZ 2.64Å; E248-K515 PolarHBondContact OE1-NZ 3.2Å; E248-K515 IonicContact OE2-NZ 3.09Å; E248-K515 PolarHBondContact OE2-NZ 3.33Å; K513-K515 PolarHBondContact O-N 3.18Å; K515-R517 PolarHBondContact O-N 2.69Å
516	T	77.5	Confident	65.5	Low	78 Å²	78	94.4 Å²	94.4	48%	0.479	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-51.6	123.5	169.3	-50.8	0	0	0	0	108.7	R241 A514 D520 L521	R241-T516 WeakPolarHBondContact CD-O 3.4Å; A514-T516 PolarHBondContact O-N 3.26Å; A514-T516 VanDerWaalsContact O-N 3.08Å; T516-D520 HydrophobicContact CG2-CB 3.73Å; T516-L521 HydrophobicContact CG2-CD2 3.9Å; T516-L521 HydrophobicContact CG2-CG 4.18Å
517	R	83.3	Confident	68.7	Low	172 Å²	172	90.5 Å²	90.5	65%	0.649	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-73.8	156.6	178.4	-64.9	177.4	169.5	-173.7	-3.1	109.4	E245 K515 A519 D520	E245-R517 VanDerWaalsContact OE1-CA 3.29Å; E245-R517 WeakPolarHBondContact OE1-CA 3.35Å; K515-R517 PolarHBondContact O-N 2.69Å; R517-A519 PolarHBondContact O-N 3.35Å; R517-D520 PolarHBondContact N-OD2 2.9Å; R517-D520 WeakPolarHBondContact O-CB 3.27Å; R517-D520 PolarHBondContact O-N 2.95Å; R517-D520 VanDerWaalsContact O-N 3.1Å
518	A	82.2	Confident	71	Confident	4 Å²	4	88.6 Å²	88.6	3%	0.033	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-55.7	-40.7	171.8	0	0	0	0	0	111	Y238 R241 M242 E245 D520 L521	Y238-A518 HydrophobicContact CD2-CB 4.09Å; Y238-A518 WeakPolarHBondContact CD2-O 3.12Å; Y238-A518 HydrophobicContact CE2-CB 3.99Å; Y238-A518 WeakPolarHBondContact CE2-O 3.39Å; R241-A518 HydrophobicContact CB-CB 4.24Å; R241-A518 HydrophobicContact CG-CB 4.12Å; M242-A518 HydrophobicContact CB-CB 4.15Å; E245-A518 PolarHBondContact OE1-N 3.44Å; E245-A518 WeakPolarHBondContact OE2-CB 3.01Å; A518-D520 PolarHBondContact O-N 3.11Å; A518-L521 WeakPolarHBondContact O-CB 3.49Å; A518-L521 PolarHBondContact O-N 3.48Å
519	A	82.3	Confident	73.8	Confident	66 Å²	66	91.3 Å²	91.3	55%	0.545	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-55.3	-34.4	177.4	0	0	0	0	0	114	R517 L521 L522	R517-A519 PolarHBondContact O-N 3.35Å; A519-L521 PolarHBondContact O-N 3.03Å; A519-L522 PolarHBondContact O-N 3.41Å
520	D	84.9	Confident	76.9	Confident	103 Å²	103	88.8 Å²	88.8	55%	0.551	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15.1	-178.2	-45.6	-23.2	0	0	0	112.5	T516 R517 A518	T516-D520 HydrophobicContact CG2-CB 3.73Å; R517-D520 PolarHBondContact N-OD2 2.9Å; R517-D520 WeakPolarHBondContact O-CB 3.27Å; R517-D520 PolarHBondContact O-N 2.95Å; R517-D520 VanDerWaalsContact O-N 3.1Å; A518-D520 PolarHBondContact O-N 3.11Å
521	L	86.9	Confident	79.6	Confident	66 Å²	66	81 Å²	81	35%	0.346	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-95.7	1.5	-179.9	-58	175.7	0	0	0	113.1	A237 Y238 R241 T516 A518 A519	A237-L521 HydrophobicContact CB-CD1 4.42Å; Y238-L521 HydrophobicContact CD2-CB 4.42Å; R241-L521 HydrophobicContact CB-CD1 4.16Å; T516-L521 HydrophobicContact CG2-CD2 3.9Å; T516-L521 HydrophobicContact CG2-CG 4.18Å; A518-L521 WeakPolarHBondContact O-CB 3.49Å; A518-L521 PolarHBondContact O-N 3.48Å; A519-L521 PolarHBondContact O-N 3.03Å
522	L	89.8	Confident	82.5	Confident	37 Å²	37	80.4 Å²	80.4	19%	0.194	42%	0.424	C	S	.	.	S	Bend	trans	-79.3	132.4	177.8	-75.6	174.3	0	0	0	111.9	V234 Y238 A519 N524	V234-L522 HydrophobicContact CG1-CD2 3.69Å; Y238-L522 HydrophobicContact CD1-CD2 4.33Å; Y238-L522 HydrophobicContact CD2-CD2 3.74Å; Y238-L522 HydrophobicContact CD2-CG 3.87Å; Y238-L522 HydrophobicContact CE1-CD2 4.01Å; Y238-L522 HydrophobicContact CE2-CD1 3.94Å; Y238-L522 HydrophobicContact CE2-CD2 3.44Å; Y238-L522 VanDerWaalsContact CE2-CD2 3.44Å; Y238-L522 HydrophobicContact CE2-CG 3.46Å; Y238-L522 VanDerWaalsContact CE2-CG 3.46Å; Y238-L522 HydrophobicContact CG-CD2 4.19Å; A519-L522 PolarHBondContact O-N 3.41Å; L522-N524 PolarHBondContact O-N 3.22Å; L522-N524 VanDerWaalsContact O-N 3.11Å
523	V	93	Very high	85.1	Confident	36 Å²	36	80.9 Å²	80.9	22%	0.218	41%	0.414	C	S	.	.			trans	-64.1	111	166	-178.6	0	0	0	0	108.5	M232 P525 N530 K533 I534	M232-V523 HydrophobicContact CE-CB 4.31Å; M232-V523 HydrophobicContact CE-CG1 4.45Å; M232-V523 WeakPolarHBondContact CE-O 3.25Å; V523-P525 WeakPolarHBondContact O-CD 3.38Å; V523-N530 HydrophobicContact CG1-CB 3.86Å; V523-K533 HydrophobicContact CG1-CB 4.04Å; V523-K533 HydrophobicContact CG2-CB 4.48Å; V523-I534 HydrophobicContact CG1-CG1 4.11Å
524	N	93.9	Very high	87.6	Confident	60 Å²	60	71.5 Å²	71.5	32%	0.321	37%	0.373	S	S	.	.			trans	-82.9	115	178.2	-178.2	3.3	0	0	0	110.5	W186 L522 L526 D527 N530	W186-N524 WeakPolarHBondContact CZ3-OD1 3.43Å; L522-N524 PolarHBondContact O-N 3.22Å; L522-N524 VanDerWaalsContact O-N 3.11Å; N524-L526 VanDerWaalsContact C-N 3.27Å; N524-L526 PolarHBondContact O-N 3.44Å; N524-L526 VanDerWaalsContact OD1-CB 3.28Å; N524-L526 WeakPolarHBondContact OD1-CB 3.49Å; N524-L526 WeakPolarHBondContact OD1-CG 3.28Å; N524-L526 PolarHBondContact OD1-N 2.78Å; N524-D527 PolarHBondContact O-N 3.19Å; N524-N530 PolarHBondContact O-ND2 3.3Å
525	P	95.1	Very high	90	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.2	178.7	33	-36.7	0	0	0	113.9	W186 P196 C199 M232 V523 D527 I534	W186-P525 HydrophobicContact CB-CG 3.99Å; W186-P525 HydrophobicContact CD2-CG 3.47Å; W186-P525 VanDerWaalsContact CD2-CG 3.47Å; W186-P525 HydrophobicContact CE3-CG 3.79Å; W186-P525 HydrophobicContact CG-CG 3.57Å; W186-P525 HydrophobicContact CZ2-CG 4.48Å; W186-P525 HydrophobicContact CZ3-CG 4.41Å; P196-P525 WeakPolarHBondContact CD-O 3.39Å; C199-P525 PolarHBondContact SG-O 3.4Å; M232-P525 HydrophobicContact CE-CG 4.47Å; M232-P525 HydrophobicContact SD-CB 4.43Å; M232-P525 HydrophobicContact SD-CG 3.98Å; V523-P525 WeakPolarHBondContact O-CD 3.38Å; P525-D527 PolarHBondContact O-N 2.98Å; P525-I534 HydrophobicContact CB-CD1 3.7Å; P525-I534 HydrophobicContact CB-CG1 4.28Å
526	L	95.8	Very high	91.5	Very high	56 Å²	56	66.9 Å²	66.9	29%	0.293	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.3	173.9	-56	171.7	0	0	0	112.5	W186 K189 L195 P196 N524	W186-L526 HydrophobicContact CE3-CD1 4.39Å; W186-L526 HydrophobicContact CE3-CG 4.41Å; K189-L526 HydrophobicContact CB-CD1 4.27Å; L195-L526 HydrophobicContact CD2-CD2 3.56Å; P196-L526 WeakPolarHBondContact CG-O 3.05Å; N524-L526 VanDerWaalsContact C-N 3.27Å; N524-L526 PolarHBondContact O-N 3.44Å; N524-L526 VanDerWaalsContact OD1-CB 3.28Å; N524-L526 WeakPolarHBondContact OD1-CB 3.49Å; N524-L526 WeakPolarHBondContact OD1-CG 3.28Å; N524-L526 PolarHBondContact OD1-N 2.78Å
527	D	95.9	Very high	92.6	Very high	32 Å²	32	63.7 Å²	63.7	17%	0.171	31%	0.311	C	S	.	.	S	Bend	trans	-94.6	113.9	173.2	-176.9	-12.8	0	0	0	110.2	N524 P525 R529 N530	N524-D527 PolarHBondContact O-N 3.19Å; P525-D527 PolarHBondContact O-N 2.98Å; D527-R529 PolarHBondContact O-N 3.12Å; D527-R529 VanDerWaalsContact OD1-CB 3.23Å; D527-R529 WeakPolarHBondContact OD1-CB 3.48Å; D527-R529 VanDerWaalsContact OD1-CG 3.3Å; D527-R529 WeakPolarHBondContact OD1-CG 3.37Å; D527-R529 IonicContact OD1-CZ 2.82Å; D527-R529 PolarHBondContact OD1-N 2.68Å; D527-R529 IonicContact OD1-NE 2.79Å; D527-R529 PolarHBondContact OD1-NE 3.37Å; D527-R529 IonicContact OD1-NH2 3.52Å; D527-R529 IonicContact OD2-CZ 2.68Å; D527-R529 VanDerWaalsContact OD2-CZ 3.29Å; D527-R529 IonicContact OD2-NE 2.76Å; D527-R529 PolarHBondContact OD2-NE 2.84Å; D527-R529 VanDerWaalsContact OD2-NE 3.09Å; D527-R529 IonicContact OD2-NH2 3.03Å; D527-R529 PolarHBondContact OD2-NH2 2.83Å; D527-N530 WeakPolarHBondContact O-CB 3.45Å; D527-N530 PolarHBondContact O-N 3.49Å
528	P	94.5	Very high	93.3	Very high	65 Å²	65	55.5 Å²	55.5	42%	0.422	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.9	-15.9	-178.8	25.1	-34	0	0	0	114	P196 N530	P196-P528 HydrophobicContact CB-CB 3.88Å; P196-P528 HydrophobicContact CG-CB 4.37Å; P528-N530 PolarHBondContact O-N 3.49Å
529	R	95.5	Very high	94	Very high	194 Å²	194	55.7 Å²	55.7	73%	0.732	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-76.8	-6.6	175.6	-54.8	171.7	-64.7	-179.7	3.8	113.2	D527	D527-R529 PolarHBondContact O-N 3.12Å; D527-R529 VanDerWaalsContact OD1-CB 3.23Å; D527-R529 WeakPolarHBondContact OD1-CB 3.48Å; D527-R529 VanDerWaalsContact OD1-CG 3.3Å; D527-R529 WeakPolarHBondContact OD1-CG 3.37Å; D527-R529 IonicContact OD1-CZ 2.82Å; D527-R529 PolarHBondContact OD1-N 2.68Å; D527-R529 IonicContact OD1-NE 2.79Å; D527-R529 PolarHBondContact OD1-NE 3.37Å; D527-R529 IonicContact OD1-NH2 3.52Å; D527-R529 IonicContact OD2-CZ 2.68Å; D527-R529 VanDerWaalsContact OD2-CZ 3.29Å; D527-R529 IonicContact OD2-NE 2.76Å; D527-R529 PolarHBondContact OD2-NE 2.84Å; D527-R529 VanDerWaalsContact OD2-NE 3.09Å; D527-R529 IonicContact OD2-NH2 3.03Å; D527-R529 PolarHBondContact OD2-NH2 2.83Å
530	N	95.4	Very high	94.6	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.107	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-99.8	0.1	176.9	-70.9	-28.9	0	0	0	113.4	V523 N524 D527 P528 D532 K533 I534	V523-N530 HydrophobicContact CG1-CB 3.86Å; N524-N530 PolarHBondContact O-ND2 3.3Å; D527-N530 WeakPolarHBondContact O-CB 3.45Å; D527-N530 PolarHBondContact O-N 3.49Å; P528-N530 PolarHBondContact O-N 3.49Å; N530-D532 VanDerWaalsContact C-N 3.26Å; N530-D532 PolarHBondContact O-N 3.04Å; N530-D532 VanDerWaalsContact O-N 3.12Å; N530-K533 CarbonylContact O-C 3.48Å; N530-K533 WeakPolarHBondContact O-CA 3.21Å; N530-K533 WeakPolarHBondContact O-CB 3.5Å; N530-K533 PolarHBondContact O-N 2.81Å; N530-K533 PolarHBondContact OD1-NZ 3.32Å; N530-I534 WeakPolarHBondContact O-CG1 3.28Å; N530-I534 PolarHBondContact O-N 2.61Å
531	A	94.6	Very high	95.1	Very high	6 Å²	6	50.4 Å²	50.4	5%	0.05	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-42.5	-175.9	0	0	0	0	0	114.1	R198 S202 K533	R198-A531 HydrophobicContact CB-CB 3.97Å; S202-A531 WeakPolarHBondContact CB-O 3.38Å; S202-A531 PolarHBondContact OG-O 2.93Å; A531-K533 VanDerWaalsContact C-N 3.32Å
532	D	93.6	Very high	95.4	Very high	145 Å²	145	48 Å²	48	78%	0.775	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.7	-180	-51.4	-60.5	0	0	0	114	N530	N530-D532 VanDerWaalsContact C-N 3.26Å; N530-D532 PolarHBondContact O-N 3.04Å; N530-D532 VanDerWaalsContact O-N 3.12Å
533	K	95.3	Very high	95.7	Very high	128 Å²	128	50.3 Å²	50.3	56%	0.557	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-20	174.6	-51.8	177.5	-161.5	156.6	0	112.5	V523 N530 A531 R535	V523-K533 HydrophobicContact CG1-CB 4.04Å; V523-K533 HydrophobicContact CG2-CB 4.48Å; N530-K533 CarbonylContact O-C 3.48Å; N530-K533 WeakPolarHBondContact O-CA 3.21Å; N530-K533 WeakPolarHBondContact O-CB 3.5Å; N530-K533 PolarHBondContact O-N 2.81Å; N530-K533 PolarHBondContact OD1-NZ 3.32Å; A531-K533 VanDerWaalsContact C-N 3.32Å; K533-R535 PolarHBondContact O-N 2.72Å; K533-R535 VanDerWaalsContact O-N 3.16Å
534	I	96.3	Very high	95.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	24%	0.238	C	C	.	.			trans	-64.8	116	176.6	-67.7	164.8	0	0	0	108.2	C199 I203 Q206 M232 V523 P525 N530 V536	C199-I534 HydrophobicContact CB-CD1 3.54Å; I203-I534 HydrophobicContact CD1-CG2 4.29Å; I203-I534 HydrophobicContact CG1-CG2 3.68Å; Q206-I534 PolarHBondContact NE2-O 2.88Å; M232-I534 HydrophobicContact CE-CG1 4.32Å; M232-I534 HydrophobicContact CE-CG2 4.29Å; V523-I534 HydrophobicContact CG1-CG1 4.11Å; P525-I534 HydrophobicContact CB-CD1 3.7Å; P525-I534 HydrophobicContact CB-CG1 4.28Å; N530-I534 WeakPolarHBondContact O-CG1 3.28Å; N530-I534 PolarHBondContact O-N 2.61Å; I534-V536 HydrophobicContact CG2-CG1 4.05Å
535	R	98	Very high	96.1	Very high	134 Å²	134	45.8 Å²	45.8	51%	0.506	22%	0.223	S	C	.	.			trans	-113.5	135.3	168.7	-68.1	-175.1	67.3	-170.3	1.4	109.5	Q206 M232 C233 K533	Q206-R535 VanDerWaalsContact OE1-CA 3.25Å; M232-R535 CarbonylContact C-O 3.54Å; M232-R535 WeakPolarHBondContact CA-O 3.47Å; C233-R535 HydrophobicContact CB-CB 3.77Å; C233-R535 PolarHBondContact N-O 2.99Å; K533-R535 PolarHBondContact O-N 2.72Å; K533-R535 VanDerWaalsContact O-N 3.16Å
536	V	98.6	Very high	96.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.8	-179.8	-67.8	0	0	0	0	111.7	L183 I203 Q206 I230 L231 M232 I534	L183-V536 HydrophobicContact CD2-CG1 4.41Å; I203-V536 HydrophobicContact CG1-CG1 4.22Å; I203-V536 HydrophobicContact CG2-CG2 4.4Å; Q206-V536 HydrophobicContact CB-CG2 3.51Å; Q206-V536 HydrophobicContact CG-CG2 4.38Å; Q206-V536 VanDerWaalsContact OE1-N 3.09Å; I230-V536 HydrophobicContact CG2-CB 3.85Å; I230-V536 HydrophobicContact CG2-CG1 4.2Å; I230-V536 HydrophobicContact CG2-CG2 4.25Å; L231-V536 CarbonylContact O-C 3.57Å; L231-V536 VanDerWaalsContact O-CA 3.25Å; L231-V536 WeakPolarHBondContact O-CA 3.19Å; M232-V536 HydrophobicContact CG-CG1 4.04Å; I534-V536 HydrophobicContact CG2-CG1 4.05Å
537	K	98.7	Very high	96.3	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.1	170.3	-56.7	-162.3	-176.6	-151.6	0	111.9	D153 M154 E177 L179 I230 L231	D153-K537 VanDerWaalsContact O-CD 3.24Å; D153-K537 WeakPolarHBondContact O-CD 3.24Å; D153-K537 WeakPolarHBondContact O-CE 3.44Å; D153-K537 PolarHBondContact O-NZ 2.77Å; M154-K537 CarbonylContact O-C 3.57Å; M154-K537 VanDerWaalsContact O-CA 3.25Å; M154-K537 WeakPolarHBondContact O-CA 3.35Å; E177-K537 WeakPolarHBondContact OE1-CE 3.49Å; E177-K537 IonicContact OE1-NZ 3.37Å; E177-K537 PolarHBondContact OE1-NZ 3.06Å; E177-K537 WeakPolarHBondContact OE2-CE 3.41Å; E177-K537 IonicContact OE2-NZ 3.47Å; E177-K537 PolarHBondContact OE2-NZ 3.22Å; L179-K537 HydrophobicContact CD1-CB 4.32Å; L179-K537 HydrophobicContact CD1-CD 4.33Å; L179-K537 HydrophobicContact CD2-CD 4.19Å; L179-K537 HydrophobicContact CD2-CG 4.4Å; I230-K537 WeakPolarHBondContact CA-O 3.38Å; L231-K537 PolarHBondContact N-O 3.07Å; L231-K537 PolarHBondContact O-N 3.48Å
538	I	98.8	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133	164.1	-54	176.4	0	0	0	108.6	M154 V156 V207 L211 L214 H222 I225 I230	M154-I538 PolarHBondContact O-N 2.55Å; V156-I538 PolarHBondContact N-O 2.84Å; V207-I538 HydrophobicContact CG1-CD1 4.4Å; V207-I538 HydrophobicContact CG1-CG1 4.47Å; L211-I538 HydrophobicContact CD2-CD1 3.98Å; L211-I538 HydrophobicContact CG-CD1 3.88Å; L214-I538 HydrophobicContact CD1-CD1 4.16Å; H222-I538 VanDerWaalsContact CD2-CG2 3.41Å; H222-I538 WeakPolarHBondContact CD2-CG2 3.19Å; I225-I538 HydrophobicContact CD1-CD1 4.31Å; I225-I538 HydrophobicContact CD1-CG2 3.89Å; I230-I538 HydrophobicContact CD1-CB 4.35Å; I230-I538 HydrophobicContact CD1-CG1 3.94Å; I230-I538 HydrophobicContact CD1-CG2 4.49Å
539	A	96.8	Very high	96.4	Very high	8 Å²	8	54.9 Å²	54.9	7%	0.066	26%	0.257	C	S	.	.			trans	-131.5	177.6	-179.8	0	0	0	0	0	112.3	V156 H222 N229 L231	V156-A539 HydrophobicContact CB-CB 4.41Å; V156-A539 HydrophobicContact CG1-CB 4.19Å; H222-A539 PolarHBondContact CE1-O 2.85Å; H222-A539 PolarHBondContact NE2-O 2.97Å; N229-A539 PolarHBondContact O-N 3.11Å; L231-A539 HydrophobicContact CD1-CB 3.54Å; L231-A539 HydrophobicContact CG-CB 3.83Å
540	D	94.3	Very high	96.5	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	24%	0.235	S	C	.	.			trans	47	78.5	-177.6	-151.7	23.2	0	0	0	115.9	K120 H222 G542	K120-D540 IonicContact NZ-OD1 3.82Å; K120-D540 PolarHBondContact NZ-OD1 3.28Å; H222-D540 VanDerWaalsContact NE2-C 3.3Å; H222-D540 PolarHBondContact NE2-O 3.11Å; D540-G542 PolarHBondContact O-N 3.43Å; D540-G542 VanDerWaalsContact O-N 3.16Å
541	L	96.2	Very high	96.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-78.5	16.7	174.4	-83.3	68.7	0	0	0	112.8	L138 L139 V142 V155 L214 N543 A544	L138-L541 HydrophobicContact CB-CD2 4.33Å; L139-L541 HydrophobicContact CD2-CD1 4.48Å; L139-L541 HydrophobicContact CD2-CD2 4.28Å; V142-L541 HydrophobicContact CG2-CD2 3.78Å; V155-L541 HydrophobicContact CG1-CD1 4.23Å; L214-L541 HydrophobicContact CD2-CD2 4.49Å; L541-N543 VanDerWaalsContact C-N 3.26Å; L541-N543 PolarHBondContact O-N 2.76Å; L541-A544 HydrophobicContact CB-CB 3.94Å; L541-A544 HydrophobicContact CG-CB 4.03Å; L541-A544 WeakPolarHBondContact O-CB 3.19Å; L541-A544 PolarHBondContact O-N 2.98Å; L541-A544 VanDerWaalsContact O-N 3.11Å
542	G	93.6	Very high	96.5	Very high	17 Å²	17	54.1 Å²	54.1	18%	0.175	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.7	-26.7	-178.9	0	0	0	0	0	114.5	D540	D540-G542 PolarHBondContact O-N 3.43Å; D540-G542 VanDerWaalsContact O-N 3.16Å
543	N	95.1	Very high	96.6	Very high	84 Å²	84	51.9 Å²	51.9	45%	0.449	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-99.1	-6.1	174.1	-66	-32.9	0	0	0	113.3	T223 D224 L541	T223-N543 PolarHBondContact OG1-O 2.94Å; D224-N543 HydrophobicContact CB-CB 4.19Å; D224-N543 PolarHBondContact OD2-ND2 3.36Å; L541-N543 VanDerWaalsContact C-N 3.26Å; L541-N543 PolarHBondContact O-N 2.76Å
544	A	98	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.			trans	-71.1	154.3	-175.4	0	0	0	0	0	111.6	L138 I220 I221 H222 L541 F551	L138-A544 HydrophobicContact CD1-CB 4.2Å; L138-A544 VanDerWaalsContact CD1-O 3.24Å; L138-A544 WeakPolarHBondContact CD1-O 3.49Å; I220-A544 HydrophobicContact CG2-CB 4.03Å; I221-A544 CarbonylContact O-C 3.6Å; I221-A544 VanDerWaalsContact O-CA 3.26Å; I221-A544 WeakPolarHBondContact O-CA 3.35Å; I221-A544 VanDerWaalsContact O-CB 3.3Å; I221-A544 WeakPolarHBondContact O-CB 3.17Å; H222-A544 WeakPolarHBondContact O-CA 3.5Å; L541-A544 HydrophobicContact CB-CB 3.94Å; L541-A544 HydrophobicContact CG-CB 4.03Å; L541-A544 WeakPolarHBondContact O-CB 3.19Å; L541-A544 PolarHBondContact O-N 2.98Å; L541-A544 VanDerWaalsContact O-N 3.11Å; A544-F551 WeakPolarHBondContact O-CD2 3.5Å; A544-F551 WeakPolarHBondContact O-CE2 3.39Å
545	C	98.3	Very high	96.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	170.8	178.9	72.3	0	0	0	0	111.4	I220 I221 F551	I220-C545 CarbonylContact C-O 3.59Å; I220-C545 VanDerWaalsContact CA-O 3.32Å; I220-C545 WeakPolarHBondContact CA-O 3.44Å; I221-C545 PolarHBondContact N-O 3.08Å; I221-C545 PolarHBondContact O-N 2.8Å; C545-F551 HydrophobicContact CB-CD2 3.91Å; C545-F551 HydrophobicContact CB-CE2 4.24Å; C545-F551 HydrophobicContact CB-CG 4.31Å
546	W	98.4	Very high	96.8	Very high	36 Å²	36	44.9 Å²	44.9	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.4	172.6	-66.2	-81.2	0	0	0	110.6	K137 L138 K219 H548 K549 F551	K137-W546 HydrophobicContact CB-CH2 3.89Å; K137-W546 HydrophobicContact CB-CZ2 4.05Å; K137-W546 HydrophobicContact CD-CH2 4.45Å; L138-W546 HydrophobicContact CD2-CD2 3.8Å; L138-W546 VanDerWaalsContact CD2-CE2 3.48Å; L138-W546 HydrophobicContact CD2-CE3 4.26Å; L138-W546 HydrophobicContact CD2-CG 4.24Å; L138-W546 HydrophobicContact CD2-CH2 4.19Å; L138-W546 HydrophobicContact CD2-CZ2 3.71Å; L138-W546 HydrophobicContact CD2-CZ3 4.44Å; L138-W546 HydrophobicContact CG-CH2 4.14Å; L138-W546 HydrophobicContact CG-CZ2 3.94Å; K219-W546 WeakPolarHBondContact O-CA 3.33Å; W546-H548 AromaticContact CG-CE1 3.84Å; W546-H548 PolarHBondContact O-N 3.42Å; W546-K549 HydrophobicContact CB-CB 4.33Å; W546-K549 HydrophobicContact CE3-CB 4.44Å; W546-K549 HydrophobicContact CE3-CD 4.13Å; W546-K549 HydrophobicContact CZ3-CD 4.34Å; W546-K549 PolarHBondContact N-O 3.06Å; W546-K549 CarbonylContact O-C 3.49Å; W546-K549 PolarHBondContact O-N 2.87Å; W546-F551 HydrophobicContact CE3-CE1 4.34Å; W546-F551 HydrophobicContact CE3-CZ 4.03Å; W546-F551 HydrophobicContact CZ3-CE1 4.06Å; W546-F551 AromaticContact CZ3-CZ 3.64Å; W546-F551 HydrophobicContact CZ3-CZ 3.64Å
547	V	97.6	Very high	96.7	Very high	54 Å²	54	46.5 Å²	46.5	33%	0.327	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.3	176.1	175.2	0	0	0	0	113.2	K219 I221 T573	K219-V547 HydrophobicContact CB-CB 4.5Å; K219-V547 HydrophobicContact CB-CG2 4.49Å; K219-V547 WeakPolarHBondContact O-CG2 3.23Å; K219-V547 PolarHBondContact O-N 2.93Å; I221-V547 HydrophobicContact CD1-CG2 4.09Å; I221-V547 HydrophobicContact CG1-CG2 3.64Å; V547-T573 HydrophobicContact CG2-CG2 3.69Å
548	H	96.3	Very high	96.6	Very high	151 Å²	151	48.7 Å²	48.7	70%	0.699	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	0.7	177.2	67.4	-91.9	0	0	0	113.9	W546	W546-H548 AromaticContact CG-CE1 3.84Å; W546-H548 PolarHBondContact O-N 3.42Å
549	K	96.3	Very high	96.6	Very high	103 Å²	103	50.6 Å²	50.6	45%	0.448	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-153.7	89.4	-179.5	-173	-163.8	171.7	-166	0	110.3	W546 F551	W546-K549 HydrophobicContact CB-CB 4.33Å; W546-K549 HydrophobicContact CE3-CB 4.44Å; W546-K549 HydrophobicContact CE3-CD 4.13Å; W546-K549 HydrophobicContact CZ3-CD 4.34Å; W546-K549 PolarHBondContact N-O 3.06Å; W546-K549 CarbonylContact O-C 3.49Å; W546-K549 PolarHBondContact O-N 2.87Å; K549-F551 HydrophobicContact CD-CE1 4.19Å
550	H	96.8	Very high	96.7	Very high	59 Å²	59	50.4 Å²	50.4	27%	0.273	25%	0.251	S	S	.	.			trans	-68.8	153	168.8	-62.3	-179.7	0	0	0	111.1	E553 Y571	H550-E553 IonicContact CG-OE1 2.6Å; H550-E553 IonicContact ND1-OE1 2.75Å; H550-E553 PolarHBondContact ND1-OE1 3.05Å; H550-Y571 HydrophobicContact CB-CE1 4.49Å; H550-Y571 WeakPolarHBondContact CB-OH 3.33Å; H550-Y571 AromaticContact CD2-CE2 3.94Å; H550-Y571 AromaticContact CD2-CZ 3.84Å; H550-Y571 AromaticContact CE1-CD1 3.92Å; H550-Y571 AromaticContact CE1-CE1 3.7Å; H550-Y571 AromaticContact CE1-CE2 3.81Å; H550-Y571 AromaticContact CE1-CZ 3.67Å; H550-Y571 PolarHBondContact CE1-O 3.08Å; H550-Y571 AromaticContact CG-CE1 3.94Å; H550-Y571 AromaticContact CG-CZ 3.53Å; H550-Y571 AromaticContact ND1-CD1 3.97Å; H550-Y571 AromaticContact ND1-CE1 3.36Å; H550-Y571 WeakPolarHBondContact ND1-CE1 3.1Å; H550-Y571 AromaticContact ND1-CZ 3.42Å; H550-Y571 AromaticContact NE2-CE2 3.79Å; H550-Y571 AromaticContact NE2-CZ 3.96Å
551	F	94.3	Very high	96.9	Very high	84 Å²	84	49.2 Å²	49.2	37%	0.368	24%	0.242	S	C	.	.	S	Bend	trans	-105.2	-30.8	173.4	-60.2	-39.6	0	0	0	113	D134 L138 A544 C545 W546 K549	D134-F551 HydrophobicContact CB-CE2 4.34Å; D134-F551 HydrophobicContact CB-CZ 3.96Å; L138-F551 HydrophobicContact CD1-CE2 4.14Å; A544-F551 WeakPolarHBondContact O-CD2 3.5Å; A544-F551 WeakPolarHBondContact O-CE2 3.39Å; C545-F551 HydrophobicContact CB-CD2 3.91Å; C545-F551 HydrophobicContact CB-CE2 4.24Å; C545-F551 HydrophobicContact CB-CG 4.31Å; W546-F551 HydrophobicContact CE3-CE1 4.34Å; W546-F551 HydrophobicContact CE3-CZ 4.03Å; W546-F551 HydrophobicContact CZ3-CE1 4.06Å; W546-F551 AromaticContact CZ3-CZ 3.64Å; W546-F551 HydrophobicContact CZ3-CZ 3.64Å; K549-F551 HydrophobicContact CD-CE1 4.19Å
552	T	95.8	Very high	97	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.374	24%	0.242	S	C	.	.			trans	-151.2	157.6	-179	173.3	0	0	0	0	108.8	D554 I555 Y571	T552-D554 VanDerWaalsContact CG2-O 3.23Å; T552-D554 WeakPolarHBondContact CG2-O 3.34Å; T552-D554 PolarHBondContact OG1-N 2.89Å; T552-D554 PolarHBondContact OG1-O 2.67Å; T552-D554 VanDerWaalsContact OG1-O 3.06Å; T552-I555 HydrophobicContact CG2-CG2 3.83Å; T552-Y571 VanDerWaalsContact O-CE1 3.3Å; T552-Y571 WeakPolarHBondContact O-CE1 3.19Å; T552-Y571 PolarHBondContact O-OH 3Å
553	E	95.9	Very high	97.3	Very high	99 Å²	99	48.3 Å²	48.3	46%	0.463	23%	0.234	S	C	.	.	S	Bend	trans	-102	-10.8	170.6	-62.8	-65	131.4	0	0	112.4	H550	H550-E553 IonicContact CG-OE1 2.6Å; H550-E553 IonicContact ND1-OE1 2.75Å; H550-E553 PolarHBondContact ND1-OE1 3.05Å
554	D	96.3	Very high	97.4	Very high	97 Å²	97	44.3 Å²	44.3	52%	0.519	21%	0.212	S	C	.	.			trans	-90.8	106.7	164.8	-175.3	30.5	0	0	0	108.1	T552 R561	T552-D554 VanDerWaalsContact CG2-O 3.23Å; T552-D554 WeakPolarHBondContact CG2-O 3.34Å; T552-D554 PolarHBondContact OG1-N 2.89Å; T552-D554 PolarHBondContact OG1-O 2.67Å; T552-D554 VanDerWaalsContact OG1-O 3.06Å; D554-R561 IonicContact OD1-CZ 3.76Å; D554-R561 IonicContact OD1-NH1 3.78Å; D554-R561 PolarHBondContact OD1-NH1 3.47Å; D554-R561 IonicContact OD1-NH2 2.68Å; D554-R561 PolarHBondContact OD1-NH2 3.27Å
555	I	97.9	Very high	97.5	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.051	22%	0.216	C	C	.	.			trans	-136.7	173.1	-178.5	60.8	158.7	0	0	0	110.7	T223 T552 R561 V565 Y571	T223-I555 HydrophobicContact CG2-CD1 4.37Å; T223-I555 HydrophobicContact CG2-CG2 4.33Å; T552-I555 HydrophobicContact CG2-CG2 3.83Å; I555-R561 PolarHBondContact O-NE 3.26Å; I555-R561 PolarHBondContact O-NH2 3.47Å; I555-V565 HydrophobicContact CD1-CG2 3.79Å; I555-V565 HydrophobicContact CG1-CB 4.5Å; I555-V565 HydrophobicContact CG1-CG1 3.99Å; I555-V565 HydrophobicContact CG1-CG2 3.65Å; I555-Y571 HydrophobicContact CD1-CD1 3.92Å; I555-Y571 HydrophobicContact CD1-CD2 3.48Å; I555-Y571 VanDerWaalsContact CD1-CD2 3.48Å; I555-Y571 HydrophobicContact CD1-CE1 4.13Å; I555-Y571 HydrophobicContact CD1-CE2 3.72Å; I555-Y571 HydrophobicContact CD1-CG 3.57Å; I555-Y571 HydrophobicContact CG1-CD1 4.4Å; I555-Y571 HydrophobicContact CG1-CE1 4.46Å; I555-Y571 HydrophobicContact CG1-CG 4.49Å; I555-Y571 HydrophobicContact CG2-CE1 4.37Å
556	Q	98.3	Very high	97.5	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.042	22%	0.217	C	C	.	.	S	Bend	trans	62.9	128.1	-179.9	-56.9	168.7	-60.8	0	0	114.5	T223 Y560 R561 S562 A575 S579	T223-Q556 WeakPolarHBondContact O-CA 3.26Å; T223-Q556 WeakPolarHBondContact O-CG 3.29Å; T223-Q556 PolarHBondContact O-N 2.95Å; Q556-Y560 PolarHBondContact NE2-O 3.27Å; Q556-R561 HydrophobicContact CB-CB 3.99Å; Q556-R561 HydrophobicContact CB-CG 4.19Å; Q556-R561 PolarHBondContact O-NE 2.95Å; Q556-R561 PolarHBondContact O-NH2 2.9Å; Q556-S562 PolarHBondContact OE1-OG 3.28Å; Q556-A575 PolarHBondContact NE2-O 3.05Å; Q556-S579 PolarHBondContact NE2-OG 3.29Å
557	T	97.2	Very high	97.5	Very high	36 Å²	36	43.4 Å²	43.4	22%	0.221	21%	0.21	C	C	.	.			trans	-55.4	141.8	165.9	-64.4	0	0	0	0	110.6	D224 K226 Q559 Y560 R561	D224-T557 WeakPolarHBondContact OD1-CB 3.48Å; D224-T557 PolarHBondContact OD1-N 2.84Å; D224-T557 PolarHBondContact OD1-OG1 3Å; K226-T557 HydrophobicContact CD-CG2 4.26Å; K226-T557 WeakPolarHBondContact CD-OG1 3.12Å; K226-T557 PolarHBondContact NZ-OG1 3.35Å; T557-Q559 PolarHBondContact O-N 2.92Å; T557-Q559 VanDerWaalsContact O-N 3.11Å; T557-Y560 HydrophobicContact CG2-CD2 3.87Å; T557-Y560 HydrophobicContact CG2-CE2 3.83Å; T557-Y560 PolarHBondContact O-N 3.14Å; T557-R561 PolarHBondContact O-N 2.85Å
558	R	97.7	Very high	97.5	Very high	56 Å²	56	41.8 Å²	41.8	21%	0.211	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-48.1	-45.6	-160.3	174.2	59	64.9	165.9	-7.3	115.2	Y560 R561 P596 D605 H608	R558-Y560 VanDerWaalsContact C-N 3.34Å; R558-R561 WeakPolarHBondContact O-CB 3.12Å; R558-P596 HydrophobicContact CG-CG 4.16Å; R558-D605 IonicContact CZ-OD1 3.09Å; R558-D605 IonicContact NH1-OD1 3.43Å; R558-D605 PolarHBondContact NH1-OD1 3.32Å; R558-D605 IonicContact NH1-OD2 2.9Å; R558-D605 PolarHBondContact NH1-OD2 3.06Å; R558-D605 IonicContact NH2-OD1 3.26Å; R558-D605 IonicContact NH2-OD2 3.32Å; R558-H608 PolarHBondContact O-CE1 2.89Å
559	Q	98.3	Very high	97.6	Very high	39 Å²	39	36.5 Å²	36.5	18%	0.182	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-76.1	-19.9	-175.7	-63.1	87.2	-23.7	0	0	113.6	T557 C582 Y592 F594	T557-Q559 PolarHBondContact O-N 2.92Å; T557-Q559 VanDerWaalsContact O-N 3.11Å; Q559-C582 PolarHBondContact O-SG 2.98Å; Q559-Y592 HydrophobicContact CB-CD1 3.87Å; Q559-Y592 HydrophobicContact CB-CE1 4.35Å; Q559-Y592 HydrophobicContact CB-CG 4.09Å; Q559-Y592 HydrophobicContact CG-CD1 3.86Å; Q559-Y592 HydrophobicContact CG-CD2 3.9Å; Q559-Y592 HydrophobicContact CG-CE1 4.17Å; Q559-Y592 HydrophobicContact CG-CE2 4.21Å; Q559-Y592 HydrophobicContact CG-CG 3.72Å; Q559-F594 WeakPolarHBondContact CB-O 3.3Å; Q559-F594 WeakPolarHBondContact CG-O 3.23Å
560	Y	98.7	Very high	97.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.016	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-104	4.7	-179.3	-42.2	-90.5	0	0	0	111.9	K226 P227 Q556 T557 R558 S579 C582 M583 E586	K226-Y560 HydrophobicContact CB-CD1 4.27Å; K226-Y560 HydrophobicContact CB-CD2 3.95Å; K226-Y560 HydrophobicContact CB-CE1 3.98Å; K226-Y560 HydrophobicContact CB-CE2 3.61Å; K226-Y560 HydrophobicContact CB-CG 4.26Å; K226-Y560 HydrophobicContact CD-CE2 4.39Å; P227-Y560 WeakPolarHBondContact CD-OH 2.96Å; Q556-Y560 PolarHBondContact NE2-O 3.27Å; T557-Y560 HydrophobicContact CG2-CD2 3.87Å; T557-Y560 HydrophobicContact CG2-CE2 3.83Å; T557-Y560 PolarHBondContact O-N 3.14Å; R558-Y560 VanDerWaalsContact C-N 3.34Å; Y560-S579 PolarHBondContact O-OG 2.9Å; Y560-C582 HydrophobicContact CD1-CB 3.9Å; Y560-M583 HydrophobicContact CD1-CB 4.37Å; Y560-M583 HydrophobicContact CE1-CB 4.3Å; Y560-E586 VanDerWaalsContact CE1-OE2 3.28Å; Y560-E586 WeakPolarHBondContact CE1-OE2 3.44Å; Y560-E586 PolarHBondContact OH-OE2 2.87Å
561	R	98.7	Very high	97.7	Very high	32 Å²	32	31.2 Å²	31.2	12%	0.121	17%	0.173	C	C	.	.			trans	-75.8	130.8	-173.4	-172.8	172.8	-70	-153.1	-9.5	111.5	D554 I555 Q556 T557 R558 V565 L566 W578 H608	D554-R561 IonicContact OD1-CZ 3.76Å; D554-R561 IonicContact OD1-NH1 3.78Å; D554-R561 PolarHBondContact OD1-NH1 3.47Å; D554-R561 IonicContact OD1-NH2 2.68Å; D554-R561 PolarHBondContact OD1-NH2 3.27Å; I555-R561 PolarHBondContact O-NE 3.26Å; I555-R561 PolarHBondContact O-NH2 3.47Å; Q556-R561 HydrophobicContact CB-CB 3.99Å; Q556-R561 HydrophobicContact CB-CG 4.19Å; Q556-R561 PolarHBondContact O-NE 2.95Å; Q556-R561 PolarHBondContact O-NH2 2.9Å; T557-R561 PolarHBondContact O-N 2.85Å; R558-R561 WeakPolarHBondContact O-CB 3.12Å; R561-V565 HydrophobicContact CG-CB 4.11Å; R561-V565 HydrophobicContact CG-CG1 3.91Å; R561-L566 HydrophobicContact CG-CD2 3.97Å; R561-L566 HydrophobicContact CG-CG 4.22Å; R561-W578 PolarHBondContact O-NE1 2.88Å; R561-W578 VanDerWaalsContact O-NE1 3.1Å; R561-H608 PolarHBondContact O-CE1 3.41Å
562	S	98.8	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.			trans	-81.4	152.3	-176	62.8	0	0	0	0	112.8	Q556 E564 V565 L566	Q556-S562 PolarHBondContact OE1-OG 3.28Å; S562-E564 VanDerWaalsContact C-N 3.3Å; S562-E564 WeakPolarHBondContact CB-OE2 3.32Å; S562-E564 PolarHBondContact O-N 3.2Å; S562-E564 VanDerWaalsContact OG-CD 3.28Å; S562-E564 PolarHBondContact OG-OE1 3Å; S562-V565 PolarHBondContact O-N 3.34Å; S562-V565 VanDerWaalsContact O-N 3.11Å; S562-V565 WeakPolarHBondContact OG-CG2 3.36Å; S562-L566 PolarHBondContact O-N 3.33Å; S562-L566 VanDerWaalsContact O-N 3.11Å
563	I	98.5	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-37.2	-177.2	-177.2	166.1	0	0	0	112.8	V565 L566 I567 W578 I612 I619 F623 M679	I563-V565 VanDerWaalsContact C-N 3.26Å; I563-V565 PolarHBondContact O-N 3.32Å; I563-L566 PolarHBondContact O-N 2.98Å; I563-I567 HydrophobicContact CG1-CG2 4.27Å; I563-I567 WeakPolarHBondContact O-CG1 3.43Å; I563-I567 PolarHBondContact O-N 3.3Å; I563-W578 HydrophobicContact CB-CH2 4.41Å; I563-W578 HydrophobicContact CG2-CH2 4.23Å; I563-W578 HydrophobicContact CG2-CZ3 4.07Å; I563-I612 HydrophobicContact CB-CD1 4.32Å; I563-I612 HydrophobicContact CD1-CG2 4.23Å; I563-I619 HydrophobicContact CD1-CD1 3.58Å; I563-I619 HydrophobicContact CD1-CG1 3.65Å; I563-I619 HydrophobicContact CD1-CG2 3.97Å; I563-F623 HydrophobicContact CD1-CE1 4.23Å; I563-F623 HydrophobicContact CG1-CE1 4.11Å; I563-F623 HydrophobicContact CG2-CE1 3.91Å; I563-F623 HydrophobicContact CG2-CZ 4.21Å; I563-M679 HydrophobicContact CG2-CB 4.33Å; I563-M679 WeakPolarHBondContact CG2-O 3.46Å
564	E	98.6	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-32	177	61.1	-91.1	-146.6	0	0	113.1	S562 G568 A569 F623 P681 R684	S562-E564 VanDerWaalsContact C-N 3.3Å; S562-E564 WeakPolarHBondContact CB-OE2 3.32Å; S562-E564 PolarHBondContact O-N 3.2Å; S562-E564 VanDerWaalsContact OG-CD 3.28Å; S562-E564 PolarHBondContact OG-OE1 3Å; E564-G568 CarbonylContact O-C 3.52Å; E564-G568 WeakPolarHBondContact O-CA 3.48Å; E564-G568 PolarHBondContact O-N 2.8Å; E564-G568 VanDerWaalsContact O-N 3.08Å; E564-A569 HydrophobicContact CB-CB 4.32Å; E564-A569 PolarHBondContact O-N 3.15Å; E564-F623 HydrophobicContact CB-CE2 4.39Å; E564-F623 HydrophobicContact CB-CZ 3.98Å; E564-P681 HydrophobicContact CB-CG 3.83Å; E564-P681 HydrophobicContact CG-CG 3.92Å; E564-R684 IonicContact OE1-CZ 2.63Å; E564-R684 IonicContact OE1-NH1 2.79Å; E564-R684 PolarHBondContact OE1-NH1 2.84Å; E564-R684 IonicContact OE1-NH2 2.83Å; E564-R684 PolarHBondContact OE1-NH2 3.32Å; E564-R684 IonicContact OE2-CZ 3.9Å; E564-R684 IonicContact OE2-NH1 2.63Å; E564-R684 PolarHBondContact OE2-NH1 2.86Å; E564-R684 IonicContact OE2-NH2 3.87Å; E564-R684 PolarHBondContact OE2-NH2 3.47Å
565	V	98.6	Very high	98.3	Very high	12 Å²	12	19.6 Å²	19.6	7%	0.073	12%	0.121	C	C	.	.	H	α-helix	trans	-75.8	-45	175.1	175.3	0	0	0	0	110.3	I555 R561 S562 I563 I567 G568	I555-V565 HydrophobicContact CD1-CG2 3.79Å; I555-V565 HydrophobicContact CG1-CB 4.5Å; I555-V565 HydrophobicContact CG1-CG1 3.99Å; I555-V565 HydrophobicContact CG1-CG2 3.65Å; R561-V565 HydrophobicContact CG-CB 4.11Å; R561-V565 HydrophobicContact CG-CG1 3.91Å; S562-V565 PolarHBondContact O-N 3.34Å; S562-V565 VanDerWaalsContact O-N 3.11Å; S562-V565 WeakPolarHBondContact OG-CG2 3.36Å; I563-V565 VanDerWaalsContact C-N 3.26Å; I563-V565 PolarHBondContact O-N 3.32Å; V565-I567 VanDerWaalsContact C-N 3.34Å; V565-I567 PolarHBondContact O-N 2.95Å; V565-G568 PolarHBondContact O-N 2.89Å; V565-G568 VanDerWaalsContact O-N 3.15Å
566	L	98.5	Very high	98.3	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-46	177.2	-64.3	172.1	0	0	0	112	R561 S562 I563 D605 H608 I609 I612 F633	R561-L566 HydrophobicContact CG-CD2 3.97Å; R561-L566 HydrophobicContact CG-CG 4.22Å; S562-L566 PolarHBondContact O-N 3.33Å; S562-L566 VanDerWaalsContact O-N 3.11Å; I563-L566 PolarHBondContact O-N 2.98Å; L566-D605 WeakPolarHBondContact CD2-OD1 3.41Å; L566-H608 HydrophobicContact CD1-CB 3.98Å; L566-H608 HydrophobicContact CD2-CB 4.46Å; L566-I609 HydrophobicContact CB-CD1 4.35Å; L566-I609 HydrophobicContact CB-CG1 4.32Å; L566-I609 HydrophobicContact CD1-CG1 4.04Å; L566-I612 HydrophobicContact CD1-CD1 3.85Å; L566-F633 WeakPolarHBondContact O-CE2 3.5Å
567	I	98.2	Very high	98.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-85.2	-11.4	-179	75.1	-178.1	0	0	0	113.1	I563 V565 A569 I609 F623 G627 K628 Y629 F634	I563-I567 HydrophobicContact CG1-CG2 4.27Å; I563-I567 WeakPolarHBondContact O-CG1 3.43Å; I563-I567 PolarHBondContact O-N 3.3Å; V565-I567 VanDerWaalsContact C-N 3.34Å; V565-I567 PolarHBondContact O-N 2.95Å; I567-A569 HydrophobicContact CD1-CB 3.95Å; I567-A569 HydrophobicContact CG1-CB 3.81Å; I567-I609 HydrophobicContact CG2-CD1 3.94Å; I567-F623 HydrophobicContact CD1-CD1 4.22Å; I567-F623 HydrophobicContact CD1-CE1 3.86Å; I567-F623 HydrophobicContact CD1-CE2 4.26Å; I567-F623 HydrophobicContact CD1-CZ 3.89Å; I567-F623 WeakPolarHBondContact CD1-O 3.45Å; I567-G627 CarbonylContact O-C 3.58Å; I567-G627 VanDerWaalsContact O-C 3.25Å; I567-G627 WeakPolarHBondContact O-CA 3.43Å; I567-K628 PolarHBondContact O-N 3.17Å; I567-K628 VanDerWaalsContact O-N 3.15Å; I567-Y629 PolarHBondContact O-N 2.91Å; I567-F634 HydrophobicContact CG2-CE2 3.85Å; I567-F634 HydrophobicContact CG2-CZ 4.5Å
568	G	98.1	Very high	98.5	Very high	19 Å²	19	17 Å²	17	20%	0.196	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	46.7	-175.6	0	0	0	0	0	113.1	E564 V565 G570 G627 K628	E564-G568 CarbonylContact O-C 3.52Å; E564-G568 WeakPolarHBondContact O-CA 3.48Å; E564-G568 PolarHBondContact O-N 2.8Å; E564-G568 VanDerWaalsContact O-N 3.08Å; V565-G568 PolarHBondContact O-N 2.89Å; V565-G568 VanDerWaalsContact O-N 3.15Å; G568-G570 VanDerWaalsContact C-N 3.32Å; G568-G627 WeakPolarHBondContact O-CA 3.39Å; G568-K628 WeakPolarHBondContact O-CB 3.38Å; G568-K628 PolarHBondContact O-N 3.34Å
569	A	97.7	Very high	98.5	Very high	41 Å²	41	14.4 Å²	14.4	34%	0.339	10%	0.096	S	C	.	.	S	Bend	trans	-84.8	-4.5	174.2	0	0	0	0	0	113.6	E564 I567 F623	E564-A569 HydrophobicContact CB-CB 4.32Å; E564-A569 PolarHBondContact O-N 3.15Å; I567-A569 HydrophobicContact CD1-CB 3.95Å; I567-A569 HydrophobicContact CG1-CB 3.81Å; A569-F623 HydrophobicContact CB-CE2 4.05Å
570	G	97	Very high	98.5	Very high	35 Å²	35	12.5 Å²	12.5	36%	0.361	9%	0.088	S	C	.	.			trans	89	147.2	-168.9	0	0	0	0	0	111.1	G568	G568-G570 VanDerWaalsContact C-N 3.32Å
571	Y	98.4	Very high	98.6	Very high	16 Å²	16	12.3 Å²	12.3	6%	0.063	9%	0.087	C	C	.	.			trans	-117.8	166.5	-176.7	68.3	-88.2	0	0	0	112.3	I221 T223 H550 T552 I555	I221-Y571 HydrophobicContact CD1-CD2 3.95Å; I221-Y571 HydrophobicContact CD1-CE2 3.85Å; T223-Y571 HydrophobicContact CG2-CE2 4.28Å; H550-Y571 HydrophobicContact CB-CE1 4.49Å; H550-Y571 WeakPolarHBondContact CB-OH 3.33Å; H550-Y571 AromaticContact CD2-CE2 3.94Å; H550-Y571 AromaticContact CD2-CZ 3.84Å; H550-Y571 AromaticContact CE1-CD1 3.92Å; H550-Y571 AromaticContact CE1-CE1 3.7Å; H550-Y571 AromaticContact CE1-CE2 3.81Å; H550-Y571 AromaticContact CE1-CZ 3.67Å; H550-Y571 PolarHBondContact CE1-O 3.08Å; H550-Y571 AromaticContact CG-CE1 3.94Å; H550-Y571 AromaticContact CG-CZ 3.53Å; H550-Y571 AromaticContact ND1-CD1 3.97Å; H550-Y571 AromaticContact ND1-CE1 3.36Å; H550-Y571 WeakPolarHBondContact ND1-CE1 3.1Å; H550-Y571 AromaticContact ND1-CZ 3.42Å; H550-Y571 AromaticContact NE2-CE2 3.79Å; H550-Y571 AromaticContact NE2-CZ 3.96Å; T552-Y571 VanDerWaalsContact O-CE1 3.3Å; T552-Y571 WeakPolarHBondContact O-CE1 3.19Å; T552-Y571 PolarHBondContact O-OH 3Å; I555-Y571 HydrophobicContact CD1-CD1 3.92Å; I555-Y571 HydrophobicContact CD1-CD2 3.48Å; I555-Y571 VanDerWaalsContact CD1-CD2 3.48Å; I555-Y571 HydrophobicContact CD1-CE1 4.13Å; I555-Y571 HydrophobicContact CD1-CE2 3.72Å; I555-Y571 HydrophobicContact CD1-CG 3.57Å; I555-Y571 HydrophobicContact CG1-CD1 4.4Å; I555-Y571 HydrophobicContact CG1-CE1 4.46Å; I555-Y571 HydrophobicContact CG1-CG 4.49Å; I555-Y571 HydrophobicContact CG2-CE1 4.37Å
572	S	98.6	Very high	98.6	Very high	41 Å²	41	10.9 Å²	10.9	29%	0.287	8%	0.082	S	C	.	.			trans	-156.4	-161.3	169.2	-157.8	0	0	0	0	109.7	P574 A575	S572-P574 VanDerWaalsContact C-N 3.27Å; S572-P574 WeakPolarHBondContact O-CD 3.29Å; S572-P574 VanDerWaalsContact O-N 3.12Å; S572-A575 VanDerWaalsContact O-CB 3.32Å; S572-A575 WeakPolarHBondContact O-CB 3.38Å; S572-A575 PolarHBondContact O-N 3.27Å
573	T	98.8	Very high	98.6	Very high	34 Å²	34	10.9 Å²	10.9	21%	0.209	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-28.6	177.6	58.3	0	0	0	0	116.4	H215 I221 V547 A575 D576	H215-T573 HydrophobicContact CB-CG2 3.88Å; H215-T573 PolarHBondContact CE1-O 3.35Å; I221-T573 HydrophobicContact CG1-CG2 4.07Å; V547-T573 HydrophobicContact CG2-CG2 3.69Å; T573-A575 PolarHBondContact O-N 3.07Å; T573-D576 PolarHBondContact O-N 3.48Å
574	P	98.9	Very high	98.6	Very high	22 Å²	22	10.9 Å²	10.9	14%	0.143	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-18.3	175	-24	36.4	0	0	0	114.7	S572 I577 W578 P681 R684	S572-P574 VanDerWaalsContact C-N 3.27Å; S572-P574 WeakPolarHBondContact O-CD 3.29Å; S572-P574 VanDerWaalsContact O-N 3.12Å; P574-I577 WeakPolarHBondContact O-CB 3.47Å; P574-I577 PolarHBondContact O-N 3.15Å; P574-W578 PolarHBondContact O-N 3.2Å; P574-P681 HydrophobicContact CB-CB 4.1Å; P574-P681 HydrophobicContact CG-CB 4.19Å; P574-P681 WeakPolarHBondContact CG-O 3.32Å; P574-R684 VanDerWaalsContact C-NH1 3.32Å; P574-R684 HydrophobicContact CB-CB 4.26Å; P574-R684 WeakPolarHBondContact O-CD 3.27Å; P574-R684 PolarHBondContact O-NH1 2.94Å
575	A	98.9	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-42.4	176.6	0	0	0	0	0	111.4	Q556 S572 T573 I577 W578 S579	Q556-A575 PolarHBondContact NE2-O 3.05Å; S572-A575 VanDerWaalsContact O-CB 3.32Å; S572-A575 WeakPolarHBondContact O-CB 3.38Å; S572-A575 PolarHBondContact O-N 3.27Å; T573-A575 PolarHBondContact O-N 3.07Å; A575-I577 VanDerWaalsContact C-N 3.25Å; A575-I577 PolarHBondContact O-N 3.32Å; A575-W578 WeakPolarHBondContact O-CB 3.31Å; A575-W578 PolarHBondContact O-N 3.21Å; A575-S579 PolarHBondContact O-N 2.79Å; A575-S579 VanDerWaalsContact O-N 3.09Å; A575-S579 PolarHBondContact O-OG 3.46Å
576	D	98.9	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-32.7	176.6	-62.5	-26.4	0	0	0	111.9	L211 H215 I221 H222 T223 I225 T573 S579 T580	L211-D576 HydrophobicContact CD1-CB 4.12Å; L211-D576 HydrophobicContact CD2-CB 3.81Å; H215-D576 IonicContact CD2-OD2 2.71Å; H215-D576 IonicContact CE1-OD2 3.38Å; H215-D576 IonicContact NE2-OD2 3.2Å; H215-D576 PolarHBondContact NE2-OD2 3.38Å; I221-D576 WeakPolarHBondContact CG2-OD2 3.27Å; H222-D576 PolarHBondContact N-OD1 2.91Å; H222-D576 PolarHBondContact N-OD2 2.98Å; T223-D576 PolarHBondContact N-OD1 3.46Å; I225-D576 HydrophobicContact CG1-CB 4.25Å; T573-D576 PolarHBondContact O-N 3.48Å; D576-S579 PolarHBondContact O-N 2.86Å; D576-T580 WeakPolarHBondContact O-CB 3.46Å; D576-T580 PolarHBondContact O-N 3.24Å; D576-T580 PolarHBondContact O-OG1 3.48Å
577	I	98.9	Very high	98.6	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-68.4	-42.9	177.9	-52.2	-59.2	0	0	0	110.9	L208 L211 P574 A575 T580 A581 M676 R684 A685 A687	L208-I577 HydrophobicContact CD2-CD1 4.37Å; L211-I577 HydrophobicContact CD1-CD1 4.34Å; P574-I577 WeakPolarHBondContact O-CB 3.47Å; P574-I577 PolarHBondContact O-N 3.15Å; A575-I577 VanDerWaalsContact C-N 3.25Å; A575-I577 PolarHBondContact O-N 3.32Å; I577-T580 WeakPolarHBondContact O-CB 3.43Å; I577-T580 PolarHBondContact O-N 2.85Å; I577-A581 PolarHBondContact O-N 3.44Å; I577-M676 HydrophobicContact CG2-CB 3.82Å; I577-M676 HydrophobicContact CG2-CE 3.93Å; I577-M676 HydrophobicContact CG2-CG 3.89Å; I577-R684 HydrophobicContact CG2-CG 4.44Å; I577-A685 WeakPolarHBondContact CG2-O 3.42Å; I577-A687 HydrophobicContact CD1-CB 3.85Å
578	W	98.9	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-47.6	173.9	179.4	-75	0	0	0	111.2	R561 I563 P574 A575 T580 A581 C582 F594 I612 L616 L677	R561-W578 PolarHBondContact O-NE1 2.88Å; R561-W578 VanDerWaalsContact O-NE1 3.1Å; I563-W578 HydrophobicContact CB-CH2 4.41Å; I563-W578 HydrophobicContact CG2-CH2 4.23Å; I563-W578 HydrophobicContact CG2-CZ3 4.07Å; P574-W578 PolarHBondContact O-N 3.2Å; A575-W578 WeakPolarHBondContact O-CB 3.31Å; A575-W578 PolarHBondContact O-N 3.21Å; W578-T580 VanDerWaalsContact C-N 3.27Å; W578-T580 PolarHBondContact O-N 3.07Å; W578-A581 WeakPolarHBondContact O-CB 3.25Å; W578-A581 PolarHBondContact O-N 3.01Å; W578-C582 PolarHBondContact O-N 2.91Å; W578-C582 VanDerWaalsContact O-N 3.07Å; W578-F594 HydrophobicContact CZ2-CD2 4.49Å; W578-F594 AromaticContact CZ2-CE2 3.62Å; W578-F594 HydrophobicContact CZ2-CE2 3.62Å; W578-F594 HydrophobicContact CZ2-CZ 4.12Å; W578-I612 HydrophobicContact CH2-CD1 4.07Å; W578-I612 HydrophobicContact CH2-CG1 4.11Å; W578-I612 HydrophobicContact CH2-CG2 3.97Å; W578-I612 HydrophobicContact CZ2-CD1 3.66Å; W578-I612 HydrophobicContact CZ2-CG1 3.86Å; W578-L616 HydrophobicContact CH2-CD1 4.02Å; W578-L616 HydrophobicContact CZ3-CD1 4.32Å; W578-L677 HydrophobicContact CD2-CD2 4.07Å; W578-L677 HydrophobicContact CE3-CD2 4.12Å; W578-L677 HydrophobicContact CZ2-CD2 4.45Å; W578-L677 HydrophobicContact CZ3-CD2 4.35Å; W578-L677 VanDerWaalsContact CZ3-O 3.27Å; W578-L677 WeakPolarHBondContact CZ3-O 3.33Å
579	S	98.9	Very high	98.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-37.8	175.4	-58.7	0	0	0	0	112.4	I225 Q556 Y560 A575 D576 A581 C582 M583	I225-S579 WeakPolarHBondContact O-CB 3.49Å; Q556-S579 PolarHBondContact NE2-OG 3.29Å; Y560-S579 PolarHBondContact O-OG 2.9Å; A575-S579 PolarHBondContact O-N 2.79Å; A575-S579 VanDerWaalsContact O-N 3.09Å; A575-S579 PolarHBondContact O-OG 3.46Å; D576-S579 PolarHBondContact O-N 2.86Å; S579-A581 VanDerWaalsContact C-N 3.31Å; S579-A581 PolarHBondContact O-N 3.11Å; S579-C582 PolarHBondContact O-N 2.87Å; S579-M583 WeakPolarHBondContact O-CB 3.44Å; S579-M583 PolarHBondContact O-N 3.09Å
580	T	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.4	-33	174.6	-54	0	0	0	0	112.1	I204 V207 L208 L211 D576 I577 W578 M583 A584 M676	I204-T580 HydrophobicContact CD1-CG2 4.24Å; I204-T580 HydrophobicContact CG2-CG2 4.35Å; V207-T580 HydrophobicContact CG1-CG2 4.09Å; L208-T580 HydrophobicContact CD2-CG2 4.19Å; L208-T580 HydrophobicContact CG-CG2 4.43Å; L211-T580 VanDerWaalsContact CD1-OG1 3.23Å; L211-T580 WeakPolarHBondContact CD1-OG1 3.49Å; D576-T580 WeakPolarHBondContact O-CB 3.46Å; D576-T580 PolarHBondContact O-N 3.24Å; D576-T580 PolarHBondContact O-OG1 3.48Å; I577-T580 WeakPolarHBondContact O-CB 3.43Å; I577-T580 PolarHBondContact O-N 2.85Å; W578-T580 VanDerWaalsContact C-N 3.27Å; W578-T580 PolarHBondContact O-N 3.07Å; T580-M583 HydrophobicContact CG2-CE 4.39Å; T580-A584 WeakPolarHBondContact O-CB 3.42Å; T580-A584 PolarHBondContact O-N 2.96Å; T580-M676 HydrophobicContact CG2-CE 3.83Å
581	A	98.9	Very high	98.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.9	-45.7	175.2	0	0	0	0	0	112.3	I577 W578 S579 M583 A584 F585 L673 M676 L677	I577-A581 PolarHBondContact O-N 3.44Å; W578-A581 WeakPolarHBondContact O-CB 3.25Å; W578-A581 PolarHBondContact O-N 3.01Å; S579-A581 VanDerWaalsContact C-N 3.31Å; S579-A581 PolarHBondContact O-N 3.11Å; A581-M583 VanDerWaalsContact C-N 3.33Å; A581-M583 PolarHBondContact O-N 3.07Å; A581-A584 PolarHBondContact O-N 3.07Å; A581-F585 PolarHBondContact O-N 3.35Å; A581-F585 VanDerWaalsContact O-N 3.07Å; A581-L673 HydrophobicContact CB-CD2 4.12Å; A581-M676 HydrophobicContact CB-CB 3.75Å; A581-M676 HydrophobicContact CB-CE 4.17Å; A581-L677 HydrophobicContact CB-CD1 4.47Å; A581-L677 HydrophobicContact CB-CD2 3.68Å; A581-L677 HydrophobicContact CB-CG 3.8Å
582	C	98.9	Very high	98.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-56.5	-48.4	172.2	-67.3	0	0	0	0	111.1	Q559 Y560 W578 S579 A584 F585 E586 L593	Q559-C582 PolarHBondContact O-SG 2.98Å; Y560-C582 HydrophobicContact CD1-CB 3.9Å; W578-C582 PolarHBondContact O-N 2.91Å; W578-C582 VanDerWaalsContact O-N 3.07Å; S579-C582 PolarHBondContact O-N 2.87Å; C582-A584 PolarHBondContact O-N 2.79Å; C582-F585 PolarHBondContact O-N 3.25Å; C582-E586 PolarHBondContact O-N 3.24Å; C582-L593 HydrophobicContact CB-CB 4.39Å
583	M	98.8	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64	-37.9	178.1	-178.4	177.6	67.6	0	0	112.6	I204 V207 I225 P227 I230 Y560 S579 T580 A581 E586 L587	I204-M583 HydrophobicContact CD1-CE 4Å; V207-M583 HydrophobicContact CB-CE 4.49Å; V207-M583 HydrophobicContact CG1-CE 3.97Å; V207-M583 HydrophobicContact CG2-CE 4.08Å; I225-M583 HydrophobicContact CG2-CE 3.68Å; I225-M583 HydrophobicContact CG2-SD 4.17Å; P227-M583 HydrophobicContact CG-CG 3.94Å; P227-M583 HydrophobicContact CG-SD 4.38Å; I230-M583 HydrophobicContact CD1-CE 4.44Å; I230-M583 HydrophobicContact CG1-CE 3.91Å; I230-M583 HydrophobicContact CG1-SD 3.72Å; Y560-M583 HydrophobicContact CD1-CB 4.37Å; Y560-M583 HydrophobicContact CE1-CB 4.3Å; S579-M583 WeakPolarHBondContact O-CB 3.44Å; S579-M583 PolarHBondContact O-N 3.09Å; T580-M583 HydrophobicContact CG2-CE 4.39Å; A581-M583 VanDerWaalsContact C-N 3.33Å; A581-M583 PolarHBondContact O-N 3.07Å; M583-E586 PolarHBondContact O-N 3.46Å; M583-L587 HydrophobicContact CG-CD1 3.77Å; M583-L587 HydrophobicContact CG-CG 4.2Å; M583-L587 VanDerWaalsContact O-CB 3.31Å; M583-L587 WeakPolarHBondContact O-CB 3.45Å; M583-L587 WeakPolarHBondContact O-CD1 3.39Å; M583-L587 WeakPolarHBondContact O-CG 3.45Å; M583-L587 PolarHBondContact O-N 2.72Å; M583-L587 HydrophobicContact SD-CD1 4.45Å
584	A	98.9	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.3	-41.1	177.3	0	0	0	0	0	111.9	I204 T580 A581 C582 A588 F669 L673	I204-A584 HydrophobicContact CD1-CB 3.72Å; I204-A584 HydrophobicContact CG1-CB 3.82Å; T580-A584 WeakPolarHBondContact O-CB 3.42Å; T580-A584 PolarHBondContact O-N 2.96Å; A581-A584 PolarHBondContact O-N 3.07Å; C582-A584 PolarHBondContact O-N 2.79Å; A584-A588 WeakPolarHBondContact O-CB 3.37Å; A584-A588 PolarHBondContact O-N 3.1Å; A584-F669 WeakPolarHBondContact O-CZ 3.27Å; A584-L673 HydrophobicContact CB-CD2 3.87Å
585	F	98.9	Very high	98.6	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-61.7	-53	173.3	178.1	-92	0	0	0	111.2	A581 C582 L587 A588 T589 D591 L593 L651 V654 L655 Y659 L673	A581-F585 PolarHBondContact O-N 3.35Å; A581-F585 VanDerWaalsContact O-N 3.07Å; C582-F585 PolarHBondContact O-N 3.25Å; F585-L587 PolarHBondContact O-N 2.96Å; F585-A588 CarbonylContact O-C 3.58Å; F585-A588 WeakPolarHBondContact O-CA 3.18Å; F585-A588 WeakPolarHBondContact O-CB 3.34Å; F585-A588 PolarHBondContact O-N 2.86Å; F585-T589 HydrophobicContact CD1-CG2 4.34Å; F585-T589 HydrophobicContact CD2-CG2 4.13Å; F585-T589 HydrophobicContact CE1-CG2 4.14Å; F585-T589 HydrophobicContact CE2-CG2 3.93Å; F585-T589 HydrophobicContact CG-CG2 4.36Å; F585-T589 HydrophobicContact CZ-CG2 3.96Å; F585-T589 PolarHBondContact O-N 3.11Å; F585-T589 PolarHBondContact O-OG1 3.05Å; F585-D591 WeakPolarHBondContact CD1-O 3.37Å; F585-D591 WeakPolarHBondContact CE1-O 3.31Å; F585-L593 HydrophobicContact CB-CB 4.28Å; F585-L593 HydrophobicContact CB-CD1 4.41Å; F585-L593 HydrophobicContact CD1-CB 3.74Å; F585-L593 HydrophobicContact CD1-CD1 3.9Å; F585-L593 HydrophobicContact CD1-CG 4.41Å; F585-L593 HydrophobicContact CD2-CD1 3.85Å; F585-L593 HydrophobicContact CE1-CB 4.25Å; F585-L593 HydrophobicContact CE1-CD1 3.98Å; F585-L593 HydrophobicContact CE2-CD1 3.92Å; F585-L593 HydrophobicContact CG-CB 4.12Å; F585-L593 HydrophobicContact CG-CD1 3.81Å; F585-L593 HydrophobicContact CG-CG 4.44Å; F585-L593 HydrophobicContact CZ-CD1 3.96Å; F585-L651 HydrophobicContact CD2-CD1 3.84Å; F585-L651 HydrophobicContact CE2-CD1 3.75Å; F585-V654 HydrophobicContact CE2-CG1 4.46Å; F585-V654 HydrophobicContact CZ-CG1 4.32Å; F585-L655 HydrophobicContact CE2-CD2 4.19Å; F585-Y659 HydrophobicContact CE2-CE2 4.23Å; F585-Y659 AromaticContact CZ-CE2 3.68Å; F585-Y659 HydrophobicContact CZ-CE2 3.68Å; F585-Y659 AromaticContact CZ-CZ 3.95Å; F585-L673 HydrophobicContact CB-CD1 4.31Å
586	E	98.8	Very high	98.5	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-42.2	-179.3	-174.7	-167.7	149.7	0	0	112.6	I187 Y560 C582 M583 A588 T589 G590 D591 Y592	I187-E586 HydrophobicContact CD1-CG 4.23Å; I187-E586 WeakPolarHBondContact CD1-OE1 3.35Å; Y560-E586 VanDerWaalsContact CE1-OE2 3.28Å; Y560-E586 WeakPolarHBondContact CE1-OE2 3.44Å; Y560-E586 PolarHBondContact OH-OE2 2.87Å; C582-E586 PolarHBondContact O-N 3.24Å; M583-E586 PolarHBondContact O-N 3.46Å; E586-A588 PolarHBondContact O-N 2.95Å; E586-T589 PolarHBondContact O-N 2.94Å; E586-G590 WeakPolarHBondContact O-CA 3.28Å; E586-G590 PolarHBondContact O-N 3.27Å; E586-D591 VanDerWaalsContact CA-O 3.32Å; E586-D591 WeakPolarHBondContact CA-O 3.32Å; E586-Y592 HydrophobicContact CG-CD1 4.34Å; E586-Y592 WeakPolarHBondContact OE2-CD1 3.39Å
587	L	98.7	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-19.4	174.1	-72	169.5	0	0	0	113.1	L183 I187 L195 V200 I203 I204 M583 F585	L183-L587 HydrophobicContact CB-CD2 4Å; L183-L587 HydrophobicContact CD1-CD1 3.88Å; L183-L587 HydrophobicContact CD1-CD2 3.93Å; I187-L587 HydrophobicContact CD1-CD2 3.9Å; I187-L587 HydrophobicContact CG1-CD2 4.08Å; L195-L587 WeakPolarHBondContact CB-O 3.24Å; L195-L587 HydrophobicContact CD1-CD2 3.79Å; L195-L587 PolarHBondContact N-O 2.93Å; V200-L587 HydrophobicContact CG1-CB 4Å; V200-L587 HydrophobicContact CG2-CB 4.22Å; V200-L587 VanDerWaalsContact CG2-O 3.25Å; V200-L587 WeakPolarHBondContact CG2-O 3.45Å; I203-L587 HydrophobicContact CG2-CD1 4.08Å; I204-L587 HydrophobicContact CD1-CD1 4.09Å; M583-L587 HydrophobicContact CG-CD1 3.77Å; M583-L587 HydrophobicContact CG-CG 4.2Å; M583-L587 VanDerWaalsContact O-CB 3.31Å; M583-L587 WeakPolarHBondContact O-CB 3.45Å; M583-L587 WeakPolarHBondContact O-CD1 3.39Å; M583-L587 WeakPolarHBondContact O-CG 3.45Å; M583-L587 PolarHBondContact O-N 2.72Å; M583-L587 HydrophobicContact SD-CD1 4.45Å; F585-L587 PolarHBondContact O-N 2.96Å
588	A	98.6	Very high	98.3	Very high	8 Å²	8	23.8 Å²	23.8	7%	0.066	12%	0.123	C	C	.	.	H	α-helix	trans	-101.6	-21.2	180	0	0	0	0	0	114.1	V200 A584 F585 E586 W661 F669	V200-A588 HydrophobicContact CG1-CB 4.42Å; V200-A588 HydrophobicContact CG2-CB 4.26Å; A584-A588 WeakPolarHBondContact O-CB 3.37Å; A584-A588 PolarHBondContact O-N 3.1Å; F585-A588 CarbonylContact O-C 3.58Å; F585-A588 WeakPolarHBondContact O-CA 3.18Å; F585-A588 WeakPolarHBondContact O-CB 3.34Å; F585-A588 PolarHBondContact O-N 2.86Å; E586-A588 PolarHBondContact O-N 2.95Å; A588-W661 HydrophobicContact CB-CH2 3.96Å; A588-W661 HydrophobicContact CB-CZ2 3.89Å; A588-F669 HydrophobicContact CB-CE1 3.8Å; A588-F669 HydrophobicContact CB-CZ 3.8Å
589	T	98.4	Very high	98	Very high	10 Å²	10	25.2 Å²	25.2	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-117	-25.5	-175.9	61.6	0	0	0	0	114.2	F585 E586 D591 L655 Y659	F585-T589 HydrophobicContact CD1-CG2 4.34Å; F585-T589 HydrophobicContact CD2-CG2 4.13Å; F585-T589 HydrophobicContact CE1-CG2 4.14Å; F585-T589 HydrophobicContact CE2-CG2 3.93Å; F585-T589 HydrophobicContact CG-CG2 4.36Å; F585-T589 HydrophobicContact CZ-CG2 3.96Å; F585-T589 PolarHBondContact O-N 3.11Å; F585-T589 PolarHBondContact O-OG1 3.05Å; E586-T589 PolarHBondContact O-N 2.94Å; T589-D591 VanDerWaalsContact C-N 3.31Å; T589-D591 PolarHBondContact OG1-N 3.33Å; T589-D591 PolarHBondContact OG1-O 3.03Å; T589-L655 HydrophobicContact CG2-CD2 4.21Å; T589-Y659 HydrophobicContact CG2-CD1 4.25Å; T589-Y659 HydrophobicContact CG2-CD2 4.07Å; T589-Y659 HydrophobicContact CG2-CE1 4.12Å; T589-Y659 HydrophobicContact CG2-CE2 3.89Å; T589-Y659 HydrophobicContact CG2-CG 4.23Å
590	G	97.5	Very high	97.8	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	86.7	-10.3	-169.6	0	0	0	0	0	115	E586	E586-G590 WeakPolarHBondContact O-CA 3.28Å; E586-G590 PolarHBondContact O-N 3.27Å
591	D	98.1	Very high	97.6	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	22%	0.215	S	C	.	.	S	Bend	trans	-112.6	145.6	-175.5	-82.2	-23.3	0	0	0	111.7	F585 E586 T589 K658 Y659	F585-D591 WeakPolarHBondContact CD1-O 3.37Å; F585-D591 WeakPolarHBondContact CE1-O 3.31Å; E586-D591 VanDerWaalsContact CA-O 3.32Å; E586-D591 WeakPolarHBondContact CA-O 3.32Å; T589-D591 VanDerWaalsContact C-N 3.31Å; T589-D591 PolarHBondContact OG1-N 3.33Å; T589-D591 PolarHBondContact OG1-O 3.03Å; D591-K658 WeakPolarHBondContact OD2-CE 3.26Å; D591-K658 IonicContact OD2-NZ 3.26Å; D591-K658 PolarHBondContact OD2-NZ 3.34Å; D591-Y659 HydrophobicContact CB-CE1 4.4Å; D591-Y659 WeakPolarHBondContact CB-OH 3.37Å; D591-Y659 PolarHBondContact OD2-OH 3.1Å
592	Y	98.6	Very high	97.4	Very high	82 Å²	82	44.8 Å²	44.8	32%	0.322	23%	0.231	S	C	.	.			trans	-60.2	140.7	169.9	-61.9	-57.1	0	0	0	111.9	Q559 E586 F594 E595	Q559-Y592 HydrophobicContact CB-CD1 3.87Å; Q559-Y592 HydrophobicContact CB-CE1 4.35Å; Q559-Y592 HydrophobicContact CB-CG 4.09Å; Q559-Y592 HydrophobicContact CG-CD1 3.86Å; Q559-Y592 HydrophobicContact CG-CD2 3.9Å; Q559-Y592 HydrophobicContact CG-CE1 4.17Å; Q559-Y592 HydrophobicContact CG-CE2 4.21Å; Q559-Y592 HydrophobicContact CG-CG 3.72Å; E586-Y592 HydrophobicContact CG-CD1 4.34Å; E586-Y592 WeakPolarHBondContact OE2-CD1 3.39Å; Y592-F594 VanDerWaalsContact C-N 3.32Å; Y592-E595 HydrophobicContact CD2-CG 4.39Å
593	L	98.5	Very high	97.4	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.105	25%	0.245	C	C	.	.	S	Bend	trans	-66.5	-35.1	173.7	-176	59.3	0	0	0	112.3	C582 F585 L615 L651 L677	C582-L593 HydrophobicContact CB-CB 4.39Å; F585-L593 HydrophobicContact CB-CB 4.28Å; F585-L593 HydrophobicContact CB-CD1 4.41Å; F585-L593 HydrophobicContact CD1-CB 3.74Å; F585-L593 HydrophobicContact CD1-CD1 3.9Å; F585-L593 HydrophobicContact CD1-CG 4.41Å; F585-L593 HydrophobicContact CD2-CD1 3.85Å; F585-L593 HydrophobicContact CE1-CB 4.25Å; F585-L593 HydrophobicContact CE1-CD1 3.98Å; F585-L593 HydrophobicContact CE2-CD1 3.92Å; F585-L593 HydrophobicContact CG-CB 4.12Å; F585-L593 HydrophobicContact CG-CD1 3.81Å; F585-L593 HydrophobicContact CG-CG 4.44Å; F585-L593 HydrophobicContact CZ-CD1 3.96Å; L593-L615 HydrophobicContact CD1-CD2 3.77Å; L593-L615 HydrophobicContact CD2-CD2 4.3Å; L593-L615 HydrophobicContact CG-CD2 4.18Å; L593-L651 HydrophobicContact CD1-CD1 4.27Å; L593-L677 HydrophobicContact CD2-CD1 3.91Å; L593-L677 HydrophobicContact CD2-CD2 4.11Å
594	F	98.6	Very high	97.3	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.013	26%	0.26	C	S	.	.			trans	-135.9	115.1	177.5	-53.5	-61.2	0	0	0	110.3	Q559 W578 Y592 P596 H608 H611 I612 L615	Q559-F594 WeakPolarHBondContact CB-O 3.3Å; Q559-F594 WeakPolarHBondContact CG-O 3.23Å; W578-F594 HydrophobicContact CZ2-CD2 4.49Å; W578-F594 AromaticContact CZ2-CE2 3.62Å; W578-F594 HydrophobicContact CZ2-CE2 3.62Å; W578-F594 HydrophobicContact CZ2-CZ 4.12Å; Y592-F594 VanDerWaalsContact C-N 3.32Å; F594-P596 WeakPolarHBondContact O-CD 3.36Å; F594-H608 VanDerWaalsContact CB-NE2 3.31Å; F594-H608 WeakPolarHBondContact CB-NE2 3.27Å; F594-H608 AromaticContact CD2-NE2 3.57Å; F594-H608 AromaticContact CG-CD2 3.91Å; F594-H608 AromaticContact CG-NE2 3.59Å; F594-H611 HydrophobicContact CD1-CB 3.88Å; F594-I612 HydrophobicContact CD1-CG1 4.29Å; F594-I612 HydrophobicContact CE1-CG1 3.88Å; F594-I612 HydrophobicContact CE2-CG1 4.13Å; F594-I612 HydrophobicContact CZ-CG1 3.79Å; F594-L615 HydrophobicContact CE1-CB 4.3Å; F594-L615 HydrophobicContact CE1-CD2 3.72Å; F594-L615 HydrophobicContact CZ-CD2 3.76Å
595	E	97.3	Very high	97.3	Very high	105 Å²	105	52.6 Å²	52.6	49%	0.491	27%	0.27	S	S	.	.			trans	-119.1	80.3	175.6	-165.8	178.6	-124.9	0	0	111	Y592 H597	Y592-E595 HydrophobicContact CD2-CG 4.39Å; E595-H597 PolarHBondContact O-CE1 3.11Å; E595-H597 PolarHBondContact O-ND1 3.11Å; E595-H597 IonicContact OE2-CE1 3.51Å
596	P	97.4	Very high	97.2	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.071	27%	0.27	C	S	.	.			trans	-82	144.7	-171.4	33.6	-38.1	0	0	0	114	R558 F594 R604 D607 H608	R558-P596 HydrophobicContact CG-CG 4.16Å; F594-P596 WeakPolarHBondContact O-CD 3.36Å; P596-R604 HydrophobicContact CB-CG 4.2Å; P596-R604 WeakPolarHBondContact CB-O 3.28Å; P596-R604 HydrophobicContact CG-CG 4.21Å; P596-R604 WeakPolarHBondContact O-CG 3.12Å; P596-D607 VanDerWaalsContact CA-OD2 3.28Å; P596-D607 WeakPolarHBondContact CA-OD2 3.34Å; P596-D607 HydrophobicContact CB-CB 4.34Å; P596-H608 HydrophobicContact CB-CB 3.61Å; P596-H608 HydrophobicContact CG-CB 3.79Å
597	H	96.7	Very high	97.2	Very high	108 Å²	108	53.1 Å²	53.1	50%	0.5	27%	0.273	S	S	.	.			trans	-124.2	156.3	-175.6	-70.8	78.6	0	0	0	111.7	E595 D607	E595-H597 PolarHBondContact O-CE1 3.11Å; E595-H597 PolarHBondContact O-ND1 3.11Å; E595-H597 IonicContact OE2-CE1 3.51Å; H597-D607 PolarHBondContact N-OD2 2.86Å; H597-D607 WeakPolarHBondContact O-CB 3.48Å
598	S	95.5	Very high	97.2	Very high	75 Å²	75	53.1 Å²	53.1	52%	0.524	27%	0.273	S	S	.	.			trans	-86.8	135.7	170.8	-61.9	0	0	0	0	110.4
599	G	94	Very high	97.2	Very high	30 Å²	30	52.8 Å²	52.8	31%	0.309	27%	0.27	S	S	.	.			trans	-95.5	-170.9	173.3	0	0	0	0	0	113.4	Y602	G599-Y602 VanDerWaalsContact N-CE2 3.3Å; G599-Y602 PolarHBondContact N-O 2.76Å
600	E	93.4	Very high	97.2	Very high	197 Å²	197	52.4 Å²	52.4	92%	0.921	27%	0.267	S	S	*	.	S	Bend	trans	-72.5	-38.7	169	-62.6	-172.8	153.7	0	0	111.6
601	D	94.9	Very high	97.3	Very high	132 Å²	132	54.8 Å²	54.8	71%	0.706	28%	0.278	S	S	*	.	S	Bend	trans	-111.7	-1.7	-174	-70.5	-43.9	0	0	0	114.3	H642	D601-H642 WeakPolarHBondContact O-CB 3.33Å; D601-H642 VanDerWaalsContact O-CG 3.26Å
602	Y	96.1	Very high	97.3	Very high	83 Å²	83	51.8 Å²	51.8	33%	0.325	26%	0.262	S	S	.	.	S	Bend	trans	-141	150.4	-174	59.4	-97.5	0	0	0	113.1	G599 D607 I643	G599-Y602 VanDerWaalsContact N-CE2 3.3Å; G599-Y602 PolarHBondContact N-O 2.76Å; Y602-D607 HydrophobicContact CD2-CB 3.98Å; Y602-D607 HydrophobicContact CE2-CB 3.91Å; Y602-D607 WeakPolarHBondContact CE2-OD1 3.48Å; Y602-I643 HydrophobicContact CD1-CD1 4.35Å; Y602-I643 HydrophobicContact CD1-CG1 3.88Å; Y602-I643 HydrophobicContact CD2-CD1 3.78Å; Y602-I643 HydrophobicContact CD2-CG1 4.2Å; Y602-I643 HydrophobicContact CE1-CG1 4.39Å; Y602-I643 HydrophobicContact CE2-CD1 4.17Å; Y602-I643 HydrophobicContact CG-CD1 3.88Å; Y602-I643 HydrophobicContact CG-CG1 3.77Å
603	S	97.4	Very high	97.3	Very high	46 Å²	46	48.9 Å²	48.9	32%	0.322	25%	0.251	S	S	.	.			trans	-85.7	160.8	178.8	75.2	0	0	0	0	112.6	D605 E606 D607	S603-D605 PolarHBondContact O-N 2.92Å; S603-D605 VanDerWaalsContact O-N 3.14Å; S603-D605 PolarHBondContact OG-N 2.75Å; S603-E606 PolarHBondContact O-N 3.06Å; S603-E606 PolarHBondContact OG-N 3.02Å; S603-D607 PolarHBondContact O-N 3.15Å
604	R	97.4	Very high	97.3	Very high	82 Å²	82	49.9 Å²	49.9	31%	0.309	26%	0.255	S	S	.	.	H	α-helix	trans	-54.9	-25.9	171.1	-160.7	-174.1	-70.1	129.5	-9.3	113.4	E442 P596 H608	E442-R604 IonicContact OE1-CZ 3.54Å; E442-R604 IonicContact OE1-NH1 3.37Å; E442-R604 PolarHBondContact OE1-NH1 2.89Å; E442-R604 IonicContact OE1-NH2 2.68Å; P596-R604 HydrophobicContact CB-CG 4.2Å; P596-R604 WeakPolarHBondContact CB-O 3.28Å; P596-R604 HydrophobicContact CG-CG 4.21Å; P596-R604 WeakPolarHBondContact O-CG 3.12Å; R604-H608 WeakPolarHBondContact O-CB 3.25Å; R604-H608 PolarHBondContact O-N 3.08Å
605	D	98	Very high	97.3	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.203	26%	0.26	C	S	.	.	H	α-helix	trans	-80.8	-37.2	176.5	-64.4	-77	0	0	0	112	R558 L566 S603 H608 I609 F633	R558-D605 IonicContact CZ-OD1 3.09Å; R558-D605 IonicContact NH1-OD1 3.43Å; R558-D605 PolarHBondContact NH1-OD1 3.32Å; R558-D605 IonicContact NH1-OD2 2.9Å; R558-D605 PolarHBondContact NH1-OD2 3.06Å; R558-D605 IonicContact NH2-OD1 3.26Å; R558-D605 IonicContact NH2-OD2 3.32Å; L566-D605 WeakPolarHBondContact CD2-OD1 3.41Å; S603-D605 PolarHBondContact O-N 2.92Å; S603-D605 VanDerWaalsContact O-N 3.14Å; S603-D605 PolarHBondContact OG-N 2.75Å; D605-H608 PolarHBondContact O-N 3.15Å; D605-I609 WeakPolarHBondContact O-CD1 3.41Å; D605-I609 VanDerWaalsContact O-CG1 3.26Å; D605-I609 WeakPolarHBondContact O-CG1 3.09Å; D605-I609 PolarHBondContact O-N 3.15Å; D605-F633 HydrophobicContact CB-CE1 3.8Å; D605-F633 HydrophobicContact CB-CZ 3.71Å
606	E	98.1	Very high	97.3	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-37.8	173.4	-162.1	176.3	164.2	0	0	111.8	S603 I609 A610 F633 L640 R641 H642 I643	S603-E606 PolarHBondContact O-N 3.06Å; S603-E606 PolarHBondContact OG-N 3.02Å; E606-I609 PolarHBondContact O-N 3.37Å; E606-A610 PolarHBondContact O-N 2.73Å; E606-F633 HydrophobicContact CB-CD1 3.91Å; E606-F633 HydrophobicContact CG-CB 4.36Å; E606-F633 HydrophobicContact CG-CD1 4.33Å; E606-L640 HydrophobicContact CG-CD1 4.32Å; E606-L640 HydrophobicContact CG-CD2 3.78Å; E606-R641 PolarHBondContact OE1-N 2.87Å; E606-H642 IonicContact OE1-CG 3.92Å; E606-H642 PolarHBondContact OE1-N 3.33Å; E606-H642 IonicContact OE1-ND1 2.84Å; E606-H642 IonicContact OE2-CE1 3.48Å; E606-H642 IonicContact OE2-CG 3.61Å; E606-H642 IonicContact OE2-ND1 2.55Å; E606-H642 PolarHBondContact OE2-ND1 3.41Å; E606-I643 HydrophobicContact CB-CD1 4.47Å; E606-I643 HydrophobicContact CG-CD1 4.23Å; E606-I643 HydrophobicContact CG-CG1 4.45Å; E606-I643 PolarHBondContact OE1-N 2.94Å
607	D	98.5	Very high	97.3	Very high	16 Å²	16	48.6 Å²	48.6	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-39.1	175.1	-165.4	67.8	0	0	0	112.4	P596 H597 Y602 S603 I609 A610 H611 I643	P596-D607 VanDerWaalsContact CA-OD2 3.28Å; P596-D607 WeakPolarHBondContact CA-OD2 3.34Å; P596-D607 HydrophobicContact CB-CB 4.34Å; H597-D607 PolarHBondContact N-OD2 2.86Å; H597-D607 WeakPolarHBondContact O-CB 3.48Å; Y602-D607 HydrophobicContact CD2-CB 3.98Å; Y602-D607 HydrophobicContact CE2-CB 3.91Å; Y602-D607 WeakPolarHBondContact CE2-OD1 3.48Å; S603-D607 PolarHBondContact O-N 3.15Å; D607-I609 VanDerWaalsContact C-N 3.35Å; D607-I609 PolarHBondContact O-N 2.84Å; D607-A610 WeakPolarHBondContact O-CB 3.28Å; D607-A610 PolarHBondContact O-N 3.18Å; D607-A610 VanDerWaalsContact O-N 3.15Å; D607-H611 PolarHBondContact O-N 3.01Å; D607-H611 PolarHBondContact O-ND1 3.49Å; D607-H611 IonicContact OD2-CE1 3.49Å; D607-H611 PolarHBondContact OD2-CE1 3.37Å; D607-H611 VanDerWaalsContact OD2-CE1 3.26Å; D607-H611 IonicContact OD2-ND1 3.51Å; D607-I643 HydrophobicContact CB-CD1 4.15Å
608	H	98.7	Very high	97.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-43.6	172.3	-161.3	174.7	0	0	0	111.5	R558 R561 L566 F594 P596 R604 D605 A610 H611 I612	R558-H608 PolarHBondContact O-CE1 2.89Å; R561-H608 PolarHBondContact O-CE1 3.41Å; L566-H608 HydrophobicContact CD1-CB 3.98Å; L566-H608 HydrophobicContact CD2-CB 4.46Å; F594-H608 VanDerWaalsContact CB-NE2 3.31Å; F594-H608 WeakPolarHBondContact CB-NE2 3.27Å; F594-H608 AromaticContact CD2-NE2 3.57Å; F594-H608 AromaticContact CG-CD2 3.91Å; F594-H608 AromaticContact CG-NE2 3.59Å; P596-H608 HydrophobicContact CB-CB 3.61Å; P596-H608 HydrophobicContact CG-CB 3.79Å; R604-H608 WeakPolarHBondContact O-CB 3.25Å; R604-H608 PolarHBondContact O-N 3.08Å; D605-H608 PolarHBondContact O-N 3.15Å; H608-A610 VanDerWaalsContact C-N 3.28Å; H608-A610 PolarHBondContact O-N 2.96Å; H608-H611 PolarHBondContact O-N 2.82Å; H608-I612 WeakPolarHBondContact O-CD1 3.4Å; H608-I612 VanDerWaalsContact O-CG1 3.3Å; H608-I612 WeakPolarHBondContact O-CG1 3.42Å; H608-I612 PolarHBondContact O-N 3.14Å; H608-I612 VanDerWaalsContact O-N 3.09Å
609	I	98.6	Very high	97.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-34.8	174.6	-67.1	166.3	0	0	0	111	L566 I567 D605 E606 D607 I612 I613 I619 F633 F634 L640	L566-I609 HydrophobicContact CB-CD1 4.35Å; L566-I609 HydrophobicContact CB-CG1 4.32Å; L566-I609 HydrophobicContact CD1-CG1 4.04Å; I567-I609 HydrophobicContact CG2-CD1 3.94Å; D605-I609 WeakPolarHBondContact O-CD1 3.41Å; D605-I609 VanDerWaalsContact O-CG1 3.26Å; D605-I609 WeakPolarHBondContact O-CG1 3.09Å; D605-I609 PolarHBondContact O-N 3.15Å; E606-I609 PolarHBondContact O-N 3.37Å; D607-I609 VanDerWaalsContact C-N 3.35Å; D607-I609 PolarHBondContact O-N 2.84Å; I609-I612 PolarHBondContact O-N 2.9Å; I609-I613 HydrophobicContact CG2-CD1 4Å; I609-I613 WeakPolarHBondContact O-CD1 3.29Å; I609-I613 VanDerWaalsContact O-CG1 3.27Å; I609-I613 WeakPolarHBondContact O-CG1 3.43Å; I609-I613 PolarHBondContact O-N 2.96Å; I609-I613 VanDerWaalsContact O-N 3.07Å; I609-I619 HydrophobicContact CG2-CD1 3.76Å; I609-F633 HydrophobicContact CD1-CB 4.02Å; I609-F633 HydrophobicContact CD1-CD1 4.41Å; I609-F633 HydrophobicContact CD1-CD2 3.44Å; I609-F633 VanDerWaalsContact CD1-CD2 3.44Å; I609-F633 HydrophobicContact CD1-CE2 4Å; I609-F633 HydrophobicContact CD1-CG 3.68Å; I609-F634 HydrophobicContact CD1-CE2 4.38Å; I609-F634 HydrophobicContact CD1-CZ 4.39Å; I609-F634 HydrophobicContact CG2-CE1 3.94Å; I609-F634 HydrophobicContact CG2-CE2 4.48Å; I609-F634 HydrophobicContact CG2-CZ 3.52Å; I609-L640 HydrophobicContact CB-CD2 4.46Å; I609-L640 HydrophobicContact CG2-CD1 4.44Å; I609-L640 HydrophobicContact CG2-CD2 3.76Å; I609-L640 HydrophobicContact CG2-CG 4.45Å
610	A	98.5	Very high	97.4	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-50	174.7	0	0	0	0	0	112.2	E606 D607 H608 I612 I613 E614 L640 I643 L646	E606-A610 PolarHBondContact O-N 2.73Å; D607-A610 WeakPolarHBondContact O-CB 3.28Å; D607-A610 PolarHBondContact O-N 3.18Å; D607-A610 VanDerWaalsContact O-N 3.15Å; H608-A610 VanDerWaalsContact C-N 3.28Å; H608-A610 PolarHBondContact O-N 2.96Å; A610-I612 VanDerWaalsContact C-N 3.26Å; A610-I612 PolarHBondContact O-N 3.07Å; A610-I613 PolarHBondContact O-N 3.12Å; A610-E614 WeakPolarHBondContact O-CG 3.36Å; A610-E614 PolarHBondContact O-N 3.45Å; A610-L640 HydrophobicContact CB-CD1 3.81Å; A610-I643 HydrophobicContact CB-CB 4.4Å; A610-I643 HydrophobicContact CB-CD1 3.71Å; A610-I643 HydrophobicContact CB-CG2 3.88Å; A610-L646 HydrophobicContact CB-CD2 3.66Å
611	H	98.5	Very high	97.6	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.255	23%	0.228	S	C	.	.	H	α-helix	trans	-57.8	-38.3	175.7	-66.9	145	0	0	0	112.4	F594 D607 H608 E614 L615	F594-H611 HydrophobicContact CD1-CB 3.88Å; D607-H611 PolarHBondContact O-N 3.01Å; D607-H611 PolarHBondContact O-ND1 3.49Å; D607-H611 IonicContact OD2-CE1 3.49Å; D607-H611 PolarHBondContact OD2-CE1 3.37Å; D607-H611 VanDerWaalsContact OD2-CE1 3.26Å; D607-H611 IonicContact OD2-ND1 3.51Å; H608-H611 PolarHBondContact O-N 2.82Å; H611-E614 IonicContact CD2-OE2 3.51Å; H611-E614 PolarHBondContact O-N 2.92Å; H611-L615 WeakPolarHBondContact O-CB 3.42Å; H611-L615 PolarHBondContact O-N 2.96Å
612	I	98.6	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-42.5	174.7	-70.1	165	0	0	0	111.2	I563 L566 W578 F594 H608 I609 A610 L616 M679	I563-I612 HydrophobicContact CB-CD1 4.32Å; I563-I612 HydrophobicContact CD1-CG2 4.23Å; L566-I612 HydrophobicContact CD1-CD1 3.85Å; W578-I612 HydrophobicContact CH2-CD1 4.07Å; W578-I612 HydrophobicContact CH2-CG1 4.11Å; W578-I612 HydrophobicContact CH2-CG2 3.97Å; W578-I612 HydrophobicContact CZ2-CD1 3.66Å; W578-I612 HydrophobicContact CZ2-CG1 3.86Å; F594-I612 HydrophobicContact CD1-CG1 4.29Å; F594-I612 HydrophobicContact CE1-CG1 3.88Å; F594-I612 HydrophobicContact CE2-CG1 4.13Å; F594-I612 HydrophobicContact CZ-CG1 3.79Å; H608-I612 WeakPolarHBondContact O-CD1 3.4Å; H608-I612 VanDerWaalsContact O-CG1 3.3Å; H608-I612 WeakPolarHBondContact O-CG1 3.42Å; H608-I612 PolarHBondContact O-N 3.14Å; H608-I612 VanDerWaalsContact O-N 3.09Å; I609-I612 PolarHBondContact O-N 2.9Å; A610-I612 VanDerWaalsContact C-N 3.26Å; A610-I612 PolarHBondContact O-N 3.07Å; I612-L616 HydrophobicContact CG2-CD1 4.22Å; I612-L616 WeakPolarHBondContact O-CB 3.38Å; I612-L616 PolarHBondContact O-N 3.02Å; I612-M679 HydrophobicContact CG2-CG 4.44Å; I612-M679 HydrophobicContact CG2-SD 4.27Å
613	I	98.4	Very high	97.7	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.108	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-34.9	177	-61.6	159.4	0	0	0	111.8	I609 A610 G617 I619 L640 L646	I609-I613 HydrophobicContact CG2-CD1 4Å; I609-I613 WeakPolarHBondContact O-CD1 3.29Å; I609-I613 VanDerWaalsContact O-CG1 3.27Å; I609-I613 WeakPolarHBondContact O-CG1 3.43Å; I609-I613 PolarHBondContact O-N 2.96Å; I609-I613 VanDerWaalsContact O-N 3.07Å; A610-I613 PolarHBondContact O-N 3.12Å; I613-G617 WeakPolarHBondContact CA-O 3.5Å; I613-G617 WeakPolarHBondContact O-CA 3.28Å; I613-G617 PolarHBondContact O-N 3.24Å; I613-I619 HydrophobicContact CD1-CD1 3.76Å; I613-I619 HydrophobicContact CG1-CD1 3.55Å; I613-I619 HydrophobicContact CG1-CG1 3.88Å; I613-L640 HydrophobicContact CD1-CD1 3.87Å; I613-L640 HydrophobicContact CD1-CG 3.91Å; I613-L646 HydrophobicContact CB-CD1 4.21Å; I613-L646 HydrophobicContact CD1-CD1 4.49Å; I613-L646 HydrophobicContact CG2-CD1 3.62Å
614	E	98.4	Very high	97.7	Very high	40 Å²	40	38.3 Å²	38.3	19%	0.187	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-38.1	177.7	-73	178.5	158.8	0	0	112.2	A610 H611 L646 K647 P648 W649	A610-E614 WeakPolarHBondContact O-CG 3.36Å; A610-E614 PolarHBondContact O-N 3.45Å; H611-E614 IonicContact CD2-OE2 3.51Å; H611-E614 PolarHBondContact O-N 2.92Å; E614-L646 HydrophobicContact CG-CB 3.96Å; E614-L646 HydrophobicContact CG-CD2 4.02Å; E614-L646 VanDerWaalsContact OE1-CA 3.24Å; E614-L646 WeakPolarHBondContact OE1-CA 3.49Å; E614-K647 PolarHBondContact OE1-N 2.71Å; E614-P648 VanDerWaalsContact O-CA 3.27Å; E614-P648 WeakPolarHBondContact O-CA 3.33Å; E614-W649 PolarHBondContact O-N 3.26Å
615	L	98.4	Very high	97.7	Very high	23 Å²	23	37.7 Å²	37.7	12%	0.12	20%	0.199	C	C	.	.	H	α-helix	trans	-80.8	-42.5	179.4	-171.1	77.3	0	0	0	113.3	L593 F594 H611 L651	L593-L615 HydrophobicContact CD1-CD2 3.77Å; L593-L615 HydrophobicContact CD2-CD2 4.3Å; L593-L615 HydrophobicContact CG-CD2 4.18Å; F594-L615 HydrophobicContact CE1-CB 4.3Å; F594-L615 HydrophobicContact CE1-CD2 3.72Å; F594-L615 HydrophobicContact CZ-CD2 3.76Å; H611-L615 WeakPolarHBondContact O-CB 3.42Å; H611-L615 PolarHBondContact O-N 2.96Å; L615-L651 HydrophobicContact CD1-CB 3.95Å; L615-L651 HydrophobicContact CD1-CD1 4.38Å; L615-L651 HydrophobicContact CG-CB 4.41Å
616	L	97.8	Very high	97.7	Very high	37 Å²	37	39.3 Å²	39.3	19%	0.194	21%	0.213	C	C	.	.	H	α-helix	trans	-114	-5.8	-166.5	-52.1	179	0	0	0	114.3	W578 I612 I674 L677 M679	W578-L616 HydrophobicContact CH2-CD1 4.02Å; W578-L616 HydrophobicContact CZ3-CD1 4.32Å; I612-L616 HydrophobicContact CG2-CD1 4.22Å; I612-L616 WeakPolarHBondContact O-CB 3.38Å; I612-L616 PolarHBondContact O-N 3.02Å; L616-I674 HydrophobicContact CD2-CD1 3.76Å; L616-L677 HydrophobicContact CD1-CB 3.95Å; L616-L677 WeakPolarHBondContact CD1-O 3.45Å; L616-L677 HydrophobicContact CD2-CB 4.2Å; L616-L677 HydrophobicContact CD2-CD1 4.35Å; L616-M679 HydrophobicContact CB-CE 4.01Å; L616-M679 HydrophobicContact CD1-CG 4.31Å
617	G	96.4	Very high	97.6	Very high	33 Å²	33	39.6 Å²	39.6	34%	0.34	22%	0.217	S	C	.	.			trans	84.3	-171.1	-176.6	0	0	0	0	0	114.4	I613 I619	I613-G617 WeakPolarHBondContact CA-O 3.5Å; I613-G617 WeakPolarHBondContact O-CA 3.28Å; I613-G617 PolarHBondContact O-N 3.24Å; G617-I619 PolarHBondContact O-N 3.2Å
618	S	95.3	Very high	97.6	Very high	106 Å²	106	46 Å²	46	74%	0.741	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-70	121.6	-169.6	58.5	0	0	0	0	113.8
619	I	96.7	Very high	97.5	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.056	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-56.2	133.7	176.4	-55.4	151	0	0	0	110.3	I563 I609 I613 G617 R621 F623 A624 F634 M679	I563-I619 HydrophobicContact CD1-CD1 3.58Å; I563-I619 HydrophobicContact CD1-CG1 3.65Å; I563-I619 HydrophobicContact CD1-CG2 3.97Å; I609-I619 HydrophobicContact CG2-CD1 3.76Å; I613-I619 HydrophobicContact CD1-CD1 3.76Å; I613-I619 HydrophobicContact CG1-CD1 3.55Å; I613-I619 HydrophobicContact CG1-CG1 3.88Å; G617-I619 PolarHBondContact O-N 3.2Å; I619-R621 PolarHBondContact O-N 3.38Å; I619-R621 VanDerWaalsContact O-N 3.11Å; I619-F623 HydrophobicContact CG2-CD1 3.84Å; I619-F623 HydrophobicContact CG2-CE1 4.49Å; I619-A624 HydrophobicContact CB-CB 4.22Å; I619-A624 HydrophobicContact CG2-CB 3.79Å; I619-F634 HydrophobicContact CD1-CE1 3.79Å; I619-F634 HydrophobicContact CD1-CZ 3.62Å; I619-M679 HydrophobicContact CB-SD 4.06Å; I619-M679 HydrophobicContact CG1-SD 3.51Å; I619-M679 VanDerWaalsContact CG1-SD 3.51Å; I619-M679 HydrophobicContact CG2-SD 4.38Å
620	P	97.1	Very high	97.4	Very high	36 Å²	36	49.8 Å²	49.8	23%	0.234	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-56.8	118.2	177.8	-27.2	36.1	0	0	0	112.2	H622 F623 A624 V680	P620-H622 VanDerWaalsContact CB-CE1 3.48Å; P620-H622 WeakPolarHBondContact CB-CE1 3.33Å; P620-H622 PolarHBondContact O-N 3.38Å; P620-F623 WeakPolarHBondContact O-CA 3.48Å; P620-F623 PolarHBondContact O-N 3.09Å; P620-A624 PolarHBondContact O-N 2.91Å; P620-V680 HydrophobicContact CB-CG2 4.48Å; P620-V680 HydrophobicContact CG-CG2 4.01Å
621	R	96.9	Very high	97.3	Very high	154 Å²	154	59.6 Å²	59.6	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-49.8	-31.4	-171.7	-179.5	-177.7	177.3	-130.3	-3.3	115.5	I619 L625 R636 R637	I619-R621 PolarHBondContact O-N 3.38Å; I619-R621 VanDerWaalsContact O-N 3.11Å; R621-L625 HydrophobicContact CG-CD1 3.89Å; R621-L625 WeakPolarHBondContact O-CB 3.5Å; R621-L625 WeakPolarHBondContact O-CG 3.2Å; R621-L625 PolarHBondContact O-N 2.82Å; R621-R636 PolarHBondContact NE-O 3.36Å; R621-R636 PolarHBondContact NH2-O 2.96Å; R621-R637 WeakPolarHBondContact CD-O 3.44Å; R621-R637 WeakPolarHBondContact CG-O 3.4Å; R621-R637 PolarHBondContact NE-O 2.74Å
622	H	96.3	Very high	97.3	Very high	136 Å²	136	62.4 Å²	62.4	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-69.5	-36.2	178.3	59.6	-93.7	0	0	0	112.3	P620 S626	P620-H622 VanDerWaalsContact CB-CE1 3.48Å; P620-H622 WeakPolarHBondContact CB-CE1 3.33Å; P620-H622 PolarHBondContact O-N 3.38Å; H622-S626 WeakPolarHBondContact O-CB 3.26Å; H622-S626 PolarHBondContact O-N 3.35Å
623	F	97.8	Very high	97.2	Very high	11 Å²	11	63 Å²	63	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-82.8	-42.3	177.4	176.4	-105.4	0	0	0	111.4	I563 E564 I567 A569 I619 P620 L625 S626 M679 V680 P681	I563-F623 HydrophobicContact CD1-CE1 4.23Å; I563-F623 HydrophobicContact CG1-CE1 4.11Å; I563-F623 HydrophobicContact CG2-CE1 3.91Å; I563-F623 HydrophobicContact CG2-CZ 4.21Å; E564-F623 HydrophobicContact CB-CE2 4.39Å; E564-F623 HydrophobicContact CB-CZ 3.98Å; I567-F623 HydrophobicContact CD1-CD1 4.22Å; I567-F623 HydrophobicContact CD1-CE1 3.86Å; I567-F623 HydrophobicContact CD1-CE2 4.26Å; I567-F623 HydrophobicContact CD1-CZ 3.89Å; I567-F623 WeakPolarHBondContact CD1-O 3.45Å; A569-F623 HydrophobicContact CB-CE2 4.05Å; I619-F623 HydrophobicContact CG2-CD1 3.84Å; I619-F623 HydrophobicContact CG2-CE1 4.49Å; P620-F623 WeakPolarHBondContact O-CA 3.48Å; P620-F623 PolarHBondContact O-N 3.09Å; F623-L625 PolarHBondContact O-N 3.24Å; F623-S626 PolarHBondContact O-N 3.36Å; F623-S626 PolarHBondContact O-OG 3.27Å; F623-M679 WeakPolarHBondContact CE1-O 3.4Å; F623-M679 VanDerWaalsContact CZ-O 3.25Å; F623-M679 WeakPolarHBondContact CZ-O 3.38Å; F623-V680 HydrophobicContact CB-CG2 4.35Å; F623-V680 HydrophobicContact CG-CG2 4.38Å; F623-P681 HydrophobicContact CE2-CG 4.18Å; F623-P681 HydrophobicContact CZ-CG 4.25Å
624	A	97.5	Very high	97.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-53.8	-24.9	172.7	0	0	0	0	0	113.2	I619 P620 S630 F634	I619-A624 HydrophobicContact CB-CB 4.22Å; I619-A624 HydrophobicContact CG2-CB 3.79Å; P620-A624 PolarHBondContact O-N 2.91Å; A624-S630 WeakPolarHBondContact O-CB 3.39Å; A624-S630 PolarHBondContact O-OG 3.28Å; A624-F634 HydrophobicContact CB-CD1 4.34Å; A624-F634 HydrophobicContact CB-CD2 4.41Å; A624-F634 HydrophobicContact CB-CE1 4.23Å; A624-F634 HydrophobicContact CB-CE2 4.32Å; A624-F634 HydrophobicContact CB-CG 4.42Å; A624-F634 HydrophobicContact CB-CZ 4.21Å; A624-F634 WeakPolarHBondContact O-CD2 3.2Å; A624-F634 WeakPolarHBondContact O-CE2 3.39Å
625	L	97.5	Very high	97.1	Very high	70 Å²	70	62.5 Å²	62.5	37%	0.366	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	5.8	-178.9	-59.7	178.2	0	0	0	114.5	R621 F623 F634	R621-L625 HydrophobicContact CG-CD1 3.89Å; R621-L625 WeakPolarHBondContact O-CB 3.5Å; R621-L625 WeakPolarHBondContact O-CG 3.2Å; R621-L625 PolarHBondContact O-N 2.82Å; F623-L625 PolarHBondContact O-N 3.24Å; L625-F634 HydrophobicContact CD2-CB 3.87Å
626	S	97.1	Very high	96.9	Very high	71 Å²	71	72.2 Å²	72.2	50%	0.497	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-21.9	177.4	60.5	0	0	0	0	113.8	H622 F623	H622-S626 WeakPolarHBondContact O-CB 3.26Å; H622-S626 PolarHBondContact O-N 3.35Å; F623-S626 PolarHBondContact O-N 3.36Å; F623-S626 PolarHBondContact O-OG 3.27Å
627	G	97.1	Very high	96.8	Very high	10 Å²	10	78.5 Å²	78.5	10%	0.103	37%	0.367	C	S	.	.	S	Bend	trans	-71.7	150.8	-177.2	0	0	0	0	0	114.7	I567 G568 Y629 S630	I567-G627 CarbonylContact O-C 3.58Å; I567-G627 VanDerWaalsContact O-C 3.25Å; I567-G627 WeakPolarHBondContact O-CA 3.43Å; G568-G627 WeakPolarHBondContact O-CA 3.39Å; G627-Y629 VanDerWaalsContact C-N 3.31Å; G627-Y629 PolarHBondContact O-N 2.62Å; G627-S630 WeakPolarHBondContact CA-OG 3.43Å; G627-S630 PolarHBondContact N-OG 3.17Å; G627-S630 VanDerWaalsContact N-OG 3.15Å; G627-S630 VanDerWaalsContact O-CB 3.3Å; G627-S630 WeakPolarHBondContact O-CB 3.24Å; G627-S630 PolarHBondContact O-N 3.48Å; G627-S630 PolarHBondContact O-OG 3.04Å
628	K	97.7	Very high	96.7	Very high	150 Å²	150	77.6 Å²	77.6	65%	0.652	36%	0.358	S	S	*	.	S	Bend	trans	-55.7	-43.8	174.7	-179.4	-176	169.4	-161.1	0	112.1	I567 G568	I567-K628 PolarHBondContact O-N 3.17Å; I567-K628 VanDerWaalsContact O-N 3.15Å; G568-K628 WeakPolarHBondContact O-CB 3.38Å; G568-K628 PolarHBondContact O-N 3.34Å
629	Y	97.3	Very high	96.7	Very high	78 Å²	78	76.6 Å²	76.6	31%	0.306	34%	0.341	S	S	.	.	S	Bend	trans	-94	-6.6	-176.7	-48	-57.5	0	0	0	112.8	I567 G627 R631 E632	I567-Y629 PolarHBondContact O-N 2.91Å; G627-Y629 VanDerWaalsContact C-N 3.31Å; G627-Y629 PolarHBondContact O-N 2.62Å; Y629-R631 PolarHBondContact O-N 3.43Å; Y629-E632 WeakPolarHBondContact O-CB 3.27Å; Y629-E632 PolarHBondContact O-N 2.92Å
630	S	97.2	Very high	96.8	Very high	2 Å²	2	76.7 Å²	76.7	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-49.4	-26	179.7	-73.6	0	0	0	0	115.1	A624 G627 E632 F634	A624-S630 WeakPolarHBondContact O-CB 3.39Å; A624-S630 PolarHBondContact O-OG 3.28Å; G627-S630 WeakPolarHBondContact CA-OG 3.43Å; G627-S630 PolarHBondContact N-OG 3.17Å; G627-S630 VanDerWaalsContact N-OG 3.15Å; G627-S630 VanDerWaalsContact O-CB 3.3Å; G627-S630 WeakPolarHBondContact O-CB 3.24Å; G627-S630 PolarHBondContact O-N 3.48Å; G627-S630 PolarHBondContact O-OG 3.04Å; S630-E632 VanDerWaalsContact C-N 3.29Å; S630-E632 PolarHBondContact O-N 3.49Å; S630-F634 WeakPolarHBondContact O-CB 3.26Å; S630-F634 WeakPolarHBondContact O-CD2 3.37Å; S630-F634 PolarHBondContact O-N 3.11Å
631	R	96.5	Very high	96.7	Very high	207 Å²	207	80.6 Å²	80.6	78%	0.781	35%	0.352	S	S	*	.	H	α-helix	trans	-72.9	-19.6	178.5	-66.4	-176.1	-178.2	177.4	4.2	113.8	Y629 R641	Y629-R631 PolarHBondContact O-N 3.43Å; R631-R641 PolarHBondContact O-NE 3.41Å; R631-R641 PolarHBondContact O-NH2 2.9Å
632	E	96.8	Very high	96.8	Very high	115 Å²	115	77.9 Å²	77.9	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-81.4	-39.4	-179.7	-64.7	164.2	-128	0	0	110.5	Y629 S630 R641	Y629-E632 WeakPolarHBondContact O-CB 3.27Å; Y629-E632 PolarHBondContact O-N 2.92Å; S630-E632 VanDerWaalsContact C-N 3.29Å; S630-E632 PolarHBondContact O-N 3.49Å; E632-R641 WeakPolarHBondContact O-CD 3.42Å
633	F	97.4	Very high	96.7	Very high	13 Å²	13	72.5 Å²	72.5	6%	0.057	32%	0.321	C	S	.	.	H	α-helix	trans	-92.8	-40.3	-178.1	-42.5	-53.4	0	0	0	113.6	L566 D605 E606 I609 L640 R641	L566-F633 WeakPolarHBondContact O-CE2 3.5Å; D605-F633 HydrophobicContact CB-CE1 3.8Å; D605-F633 HydrophobicContact CB-CZ 3.71Å; E606-F633 HydrophobicContact CB-CD1 3.91Å; E606-F633 HydrophobicContact CG-CB 4.36Å; E606-F633 HydrophobicContact CG-CD1 4.33Å; I609-F633 HydrophobicContact CD1-CB 4.02Å; I609-F633 HydrophobicContact CD1-CD1 4.41Å; I609-F633 HydrophobicContact CD1-CD2 3.44Å; I609-F633 VanDerWaalsContact CD1-CD2 3.44Å; I609-F633 HydrophobicContact CD1-CE2 4Å; I609-F633 HydrophobicContact CD1-CG 3.68Å; F633-L640 HydrophobicContact CB-CD2 4.13Å; F633-L640 CarbonylContact O-C 3.59Å; F633-L640 WeakPolarHBondContact O-CA 3.31Å; F633-R641 WeakPolarHBondContact O-CB 3.3Å; F633-R641 WeakPolarHBondContact O-CD 3.49Å; F633-R641 VanDerWaalsContact O-CG 3.3Å; F633-R641 WeakPolarHBondContact O-CG 3.4Å; F633-R641 PolarHBondContact O-N 2.86Å
634	F	97.9	Very high	96.5	Very high	4 Å²	4	77.3 Å²	77.3	2%	0.018	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-106.7	146.7	-171.5	-56.7	-78.8	0	0	0	114.3	I567 I609 I619 A624 L625 S630 G638 E639 L640 R641	I567-F634 HydrophobicContact CG2-CE2 3.85Å; I567-F634 HydrophobicContact CG2-CZ 4.5Å; I609-F634 HydrophobicContact CD1-CE2 4.38Å; I609-F634 HydrophobicContact CD1-CZ 4.39Å; I609-F634 HydrophobicContact CG2-CE1 3.94Å; I609-F634 HydrophobicContact CG2-CE2 4.48Å; I609-F634 HydrophobicContact CG2-CZ 3.52Å; I619-F634 HydrophobicContact CD1-CE1 3.79Å; I619-F634 HydrophobicContact CD1-CZ 3.62Å; A624-F634 HydrophobicContact CB-CD1 4.34Å; A624-F634 HydrophobicContact CB-CD2 4.41Å; A624-F634 HydrophobicContact CB-CE1 4.23Å; A624-F634 HydrophobicContact CB-CE2 4.32Å; A624-F634 HydrophobicContact CB-CG 4.42Å; A624-F634 HydrophobicContact CB-CZ 4.21Å; A624-F634 WeakPolarHBondContact O-CD2 3.2Å; A624-F634 WeakPolarHBondContact O-CE2 3.39Å; L625-F634 HydrophobicContact CD2-CB 3.87Å; S630-F634 WeakPolarHBondContact O-CB 3.26Å; S630-F634 WeakPolarHBondContact O-CD2 3.37Å; S630-F634 PolarHBondContact O-N 3.11Å; F634-G638 WeakPolarHBondContact CD1-O 3.32Å; F634-E639 CarbonylContact C-O 3.6Å; F634-E639 WeakPolarHBondContact CA-O 3.47Å; F634-L640 HydrophobicContact CD1-CD2 3.99Å; F634-L640 HydrophobicContact CE1-CD2 3.76Å; F634-L640 HydrophobicContact CE1-CG 4.42Å; F634-L640 HydrophobicContact CZ-CD2 4.34Å; F634-R641 PolarHBondContact O-NE 3.18Å
635	N	96.5	Very high	96.4	Very high	45 Å²	45	86 Å²	86	24%	0.241	39%	0.389	C	S	.	.			trans	-86	173.4	167.6	86.1	34.2	0	0	0	111.1	R637 G638 E639 R641	N635-R637 PolarHBondContact O-N 3.36Å; N635-R637 WeakPolarHBondContact OD1-CA 3.44Å; N635-R637 VanDerWaalsContact OD1-CB 3.25Å; N635-R637 WeakPolarHBondContact OD1-CB 3.46Å; N635-R637 WeakPolarHBondContact OD1-CG 3.36Å; N635-R637 PolarHBondContact OD1-N 2.69Å; N635-G638 PolarHBondContact O-N 3.4Å; N635-E639 PolarHBondContact N-O 2.94Å; N635-E639 PolarHBondContact ND2-OE2 2.87Å; N635-E639 PolarHBondContact OD1-OE2 3.33Å; N635-R641 HydrophobicContact CB-CG 4.33Å
636	R	95.1	Very high	96.3	Very high	228 Å²	228	85.4 Å²	85.4	86%	0.86	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-13.5	-175.8	-69.2	-175.6	179.4	174.1	0.5	115.5	R621	R621-R636 PolarHBondContact NE-O 3.36Å; R621-R636 PolarHBondContact NH2-O 2.96Å
637	R	94.6	Very high	96.3	Very high	168 Å²	168	89.9 Å²	89.9	63%	0.634	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.8	176.9	-46.1	-168.7	-147.6	154.6	-1.9	113	R621 N635 E639	R621-R637 WeakPolarHBondContact CD-O 3.44Å; R621-R637 WeakPolarHBondContact CG-O 3.4Å; R621-R637 PolarHBondContact NE-O 2.74Å; N635-R637 PolarHBondContact O-N 3.36Å; N635-R637 WeakPolarHBondContact OD1-CA 3.44Å; N635-R637 VanDerWaalsContact OD1-CB 3.25Å; N635-R637 WeakPolarHBondContact OD1-CB 3.46Å; N635-R637 WeakPolarHBondContact OD1-CG 3.36Å; N635-R637 PolarHBondContact OD1-N 2.69Å; R637-E639 HydrophobicContact CB-CG 4.07Å; R637-E639 WeakPolarHBondContact CD-OE1 3.49Å; R637-E639 WeakPolarHBondContact CD-OE2 3.36Å; R637-E639 IonicContact CZ-OE1 2.7Å; R637-E639 IonicContact CZ-OE2 3.8Å; R637-E639 IonicContact NE-OE1 3.53Å; R637-E639 IonicContact NE-OE2 3.99Å; R637-E639 IonicContact NH1-OE1 3.7Å; R637-E639 PolarHBondContact NH1-OE1 3.31Å; R637-E639 IonicContact NH1-OE2 2.93Å; R637-E639 PolarHBondContact NH1-OE2 3.42Å
638	G	94.4	Very high	96.3	Very high	15 Å²	15	94.5 Å²	94.5	16%	0.155	43%	0.425	C	S	.	.	S	Bend	trans	88.5	10	-170.8	0	0	0	0	0	113.9	F634 N635	F634-G638 WeakPolarHBondContact CD1-O 3.32Å; N635-G638 PolarHBondContact O-N 3.4Å
639	E	96.4	Very high	96.3	Very high	85 Å²	85	92.6 Å²	92.6	40%	0.397	41%	0.413	S	S	.	.			trans	-85.7	150.4	171.4	-50.3	151.1	160.1	0	0	109.1	F634 N635 R637	F634-E639 CarbonylContact C-O 3.6Å; F634-E639 WeakPolarHBondContact CA-O 3.47Å; N635-E639 PolarHBondContact N-O 2.94Å; N635-E639 PolarHBondContact ND2-OE2 2.87Å; N635-E639 PolarHBondContact OD1-OE2 3.33Å; R637-E639 HydrophobicContact CB-CG 4.07Å; R637-E639 WeakPolarHBondContact CD-OE1 3.49Å; R637-E639 WeakPolarHBondContact CD-OE2 3.36Å; R637-E639 IonicContact CZ-OE1 2.7Å; R637-E639 IonicContact CZ-OE2 3.8Å; R637-E639 IonicContact NE-OE1 3.53Å; R637-E639 IonicContact NE-OE2 3.99Å; R637-E639 IonicContact NH1-OE1 3.7Å; R637-E639 PolarHBondContact NH1-OE1 3.31Å; R637-E639 IonicContact NH1-OE2 2.93Å; R637-E639 PolarHBondContact NH1-OE2 3.42Å
640	L	97.6	Very high	96.3	Very high	12 Å²	12	91 Å²	91	6%	0.063	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-60.8	162.1	171.3	-74.9	-177	0	0	0	112.3	E606 I609 A610 I613 F633 F634 I643 L646	E606-L640 HydrophobicContact CG-CD1 4.32Å; E606-L640 HydrophobicContact CG-CD2 3.78Å; I609-L640 HydrophobicContact CB-CD2 4.46Å; I609-L640 HydrophobicContact CG2-CD1 4.44Å; I609-L640 HydrophobicContact CG2-CD2 3.76Å; I609-L640 HydrophobicContact CG2-CG 4.45Å; A610-L640 HydrophobicContact CB-CD1 3.81Å; I613-L640 HydrophobicContact CD1-CD1 3.87Å; I613-L640 HydrophobicContact CD1-CG 3.91Å; F633-L640 HydrophobicContact CB-CD2 4.13Å; F633-L640 CarbonylContact O-C 3.59Å; F633-L640 WeakPolarHBondContact O-CA 3.31Å; F634-L640 HydrophobicContact CD1-CD2 3.99Å; F634-L640 HydrophobicContact CE1-CD2 3.76Å; F634-L640 HydrophobicContact CE1-CG 4.42Å; F634-L640 HydrophobicContact CZ-CD2 4.34Å; L640-I643 WeakPolarHBondContact CB-O 3.49Å; L640-I643 HydrophobicContact CD1-CB 4.09Å; L640-L646 HydrophobicContact CD1-CD2 4.46Å
641	R	96.2	Very high	96.4	Very high	119 Å²	119	91 Å²	91	45%	0.449	41%	0.414	S	S	.	.	S	Bend	trans	-98.6	-49.5	-170.6	-80.6	164.8	165.5	-94	16.5	113.4	E606 R631 E632 F633 F634 N635	E606-R641 PolarHBondContact OE1-N 2.87Å; R631-R641 PolarHBondContact O-NE 3.41Å; R631-R641 PolarHBondContact O-NH2 2.9Å; E632-R641 WeakPolarHBondContact O-CD 3.42Å; F633-R641 WeakPolarHBondContact O-CB 3.3Å; F633-R641 WeakPolarHBondContact O-CD 3.49Å; F633-R641 VanDerWaalsContact O-CG 3.3Å; F633-R641 WeakPolarHBondContact O-CG 3.4Å; F633-R641 PolarHBondContact O-N 2.86Å; F634-R641 PolarHBondContact O-NE 3.18Å; N635-R641 HydrophobicContact CB-CG 4.33Å
642	H	97.1	Very high	96.5	Very high	97 Å²	97	84 Å²	84	45%	0.449	39%	0.389	S	S	.	.	S	Bend	trans	-104.9	-40.6	-172.7	-47.6	105.8	0	0	0	109.3	D601 E606 T644	D601-H642 WeakPolarHBondContact O-CB 3.33Å; D601-H642 VanDerWaalsContact O-CG 3.26Å; E606-H642 IonicContact OE1-CG 3.92Å; E606-H642 PolarHBondContact OE1-N 3.33Å; E606-H642 IonicContact OE1-ND1 2.84Å; E606-H642 IonicContact OE2-CE1 3.48Å; E606-H642 IonicContact OE2-CG 3.61Å; E606-H642 IonicContact OE2-ND1 2.55Å; E606-H642 PolarHBondContact OE2-ND1 3.41Å; H642-T644 PolarHBondContact O-N 2.94Å
643	I	96.1	Very high	96.5	Very high	23 Å²	23	81.4 Å²	81.4	12%	0.118	38%	0.379	C	S	.	.			trans	-82.5	99.6	174	-54.1	176.8	0	0	0	110.1	Y602 E606 D607 A610 L640 L646	Y602-I643 HydrophobicContact CD1-CD1 4.35Å; Y602-I643 HydrophobicContact CD1-CG1 3.88Å; Y602-I643 HydrophobicContact CD2-CD1 3.78Å; Y602-I643 HydrophobicContact CD2-CG1 4.2Å; Y602-I643 HydrophobicContact CE1-CG1 4.39Å; Y602-I643 HydrophobicContact CE2-CD1 4.17Å; Y602-I643 HydrophobicContact CG-CD1 3.88Å; Y602-I643 HydrophobicContact CG-CG1 3.77Å; E606-I643 HydrophobicContact CB-CD1 4.47Å; E606-I643 HydrophobicContact CG-CD1 4.23Å; E606-I643 HydrophobicContact CG-CG1 4.45Å; E606-I643 PolarHBondContact OE1-N 2.94Å; D607-I643 HydrophobicContact CB-CD1 4.15Å; A610-I643 HydrophobicContact CB-CB 4.4Å; A610-I643 HydrophobicContact CB-CD1 3.71Å; A610-I643 HydrophobicContact CB-CG2 3.88Å; L640-I643 WeakPolarHBondContact CB-O 3.49Å; L640-I643 HydrophobicContact CD1-CB 4.09Å; I643-L646 HydrophobicContact CG2-CD2 3.8Å
644	T	93.5	Very high	96.6	Very high	111 Å²	111	81.5 Å²	81.5	68%	0.681	38%	0.38	S	S	*	.			trans	-111.3	-2.9	-175.8	52.4	0	0	0	0	114.7	H642	H642-T644 PolarHBondContact O-N 2.94Å
645	K	94.9	Very high	96.6	Very high	182 Å²	182	81.3 Å²	81.3	79%	0.791	38%	0.38	S	S	*	.			trans	-124.2	64.9	-175.2	-69.2	-179.4	179.8	172.7	0	111.5
646	L	96	Very high	96.7	Very high	59 Å²	59	80.6 Å²	80.6	31%	0.309	38%	0.377	S	S	.	.			trans	-68.4	149	176.2	-58.3	169.7	0	0	0	111.1	A610 I613 E614 L640 I643	A610-L646 HydrophobicContact CB-CD2 3.66Å; I613-L646 HydrophobicContact CB-CD1 4.21Å; I613-L646 HydrophobicContact CD1-CD1 4.49Å; I613-L646 HydrophobicContact CG2-CD1 3.62Å; E614-L646 HydrophobicContact CG-CB 3.96Å; E614-L646 HydrophobicContact CG-CD2 4.02Å; E614-L646 VanDerWaalsContact OE1-CA 3.24Å; E614-L646 WeakPolarHBondContact OE1-CA 3.49Å; L640-L646 HydrophobicContact CD1-CD2 4.46Å; I643-L646 HydrophobicContact CG2-CD2 3.8Å
647	K	96.5	Very high	96.8	Very high	165 Å²	165	76.2 Å²	76.2	72%	0.717	37%	0.366	S	S	*	.			trans	-120.8	83.7	176.9	-58.2	172	-164.6	155.3	0	109.6	E614 W649	E614-K647 PolarHBondContact OE1-N 2.71Å; K647-W649 PolarHBondContact O-N 3.46Å
648	P	97.4	Very high	97	Very high	106 Å²	106	73.2 Å²	73.2	69%	0.688	36%	0.358	S	S	*	.			trans	-59.9	131.5	-179.6	-23.5	34.5	0	0	0	112.1	E614	E614-P648 VanDerWaalsContact O-CA 3.27Å; E614-P648 WeakPolarHBondContact O-CA 3.33Å
649	W	97.6	Very high	97.2	Very high	110 Å²	110	75 Å²	75	42%	0.417	36%	0.36	S	S	.	.			trans	-147.7	110.6	177.8	-163.8	18.4	0	0	0	107.1	E614 K647 V654 E657 K658	E614-W649 PolarHBondContact O-N 3.26Å; K647-W649 PolarHBondContact O-N 3.46Å; W649-V654 HydrophobicContact CB-CG2 4.2Å; W649-V654 HydrophobicContact CD2-CG2 3.49Å; W649-V654 VanDerWaalsContact CD2-CG2 3.49Å; W649-V654 HydrophobicContact CE3-CG2 3.77Å; W649-V654 HydrophobicContact CG-CG2 3.67Å; W649-V654 HydrophobicContact CZ3-CG2 4.42Å; W649-E657 HydrophobicContact CZ2-CB 4.11Å; W649-E657 PolarHBondContact NE1-OE2 3.1Å; W649-K658 HydrophobicContact CH2-CB 3.9Å; W649-K658 HydrophobicContact CH2-CG 4.48Å; W649-K658 HydrophobicContact CZ2-CB 4.24Å
650	S	97.6	Very high	97.2	Very high	46 Å²	46	73.9 Å²	73.9	32%	0.322	37%	0.371	S	S	.	.			trans	-73.1	156.3	-169.4	84	0	0	0	0	111.6	F652 D653 V654	S650-F652 PolarHBondContact O-N 3.46Å; S650-F652 VanDerWaalsContact O-N 3.15Å; S650-D653 VanDerWaalsContact CB-OD2 3.28Å; S650-D653 WeakPolarHBondContact CB-OD2 3.12Å; S650-D653 PolarHBondContact N-OD2 3.15Å; S650-D653 PolarHBondContact O-N 3.5Å; S650-D653 PolarHBondContact OG-N 3.32Å; S650-D653 PolarHBondContact OG-OD2 3.49Å; S650-V654 WeakPolarHBondContact O-CB 3.43Å; S650-V654 WeakPolarHBondContact O-CG2 3.44Å; S650-V654 PolarHBondContact O-N 3.06Å
651	L	97.9	Very high	97.3	Very high	2 Å²	2	74.9 Å²	74.9	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-53.7	-35.9	177.3	-179.6	58.4	0	0	0	112.9	F585 L593 L615 L655 T670 L673 I674 L677	F585-L651 HydrophobicContact CD2-CD1 3.84Å; F585-L651 HydrophobicContact CE2-CD1 3.75Å; L593-L651 HydrophobicContact CD1-CD1 4.27Å; L615-L651 HydrophobicContact CD1-CB 3.95Å; L615-L651 HydrophobicContact CD1-CD1 4.38Å; L615-L651 HydrophobicContact CG-CB 4.41Å; L651-L655 HydrophobicContact CD1-CD1 4.34Å; L651-L655 HydrophobicContact CD1-CG 4.48Å; L651-L655 HydrophobicContact CG-CD1 4.3Å; L651-L655 WeakPolarHBondContact O-CD1 3.36Å; L651-L655 VanDerWaalsContact O-CG 3.26Å; L651-L655 WeakPolarHBondContact O-CG 3.43Å; L651-L655 PolarHBondContact O-N 3.31Å; L651-L655 VanDerWaalsContact O-N 3.1Å; L651-T670 HydrophobicContact CB-CG2 4.24Å; L651-T670 HydrophobicContact CD2-CG2 4.31Å; L651-T670 HydrophobicContact CG-CG2 4.36Å; L651-L673 HydrophobicContact CD2-CB 3.81Å; L651-L673 HydrophobicContact CD2-CD1 4.02Å; L651-I674 HydrophobicContact CD2-CD1 4.4Å; L651-L677 HydrophobicContact CD2-CD1 4.37Å
652	F	98.5	Very high	97.4	Very high	60 Å²	60	72.9 Å²	72.9	26%	0.263	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-49.2	175.2	176.5	-96.7	0	0	0	112	S650 V654 L655 V656 H663 A666 A667 T670	S650-F652 PolarHBondContact O-N 3.46Å; S650-F652 VanDerWaalsContact O-N 3.15Å; F652-V654 VanDerWaalsContact C-N 3.32Å; F652-V654 PolarHBondContact O-N 3.35Å; F652-L655 PolarHBondContact O-N 3.02Å; F652-V656 HydrophobicContact CD1-CG2 4.48Å; F652-V656 HydrophobicContact CE1-CG2 4.12Å; F652-V656 HydrophobicContact CE2-CG2 4.22Å; F652-V656 HydrophobicContact CZ-CG2 3.99Å; F652-V656 WeakPolarHBondContact O-CG2 3.35Å; F652-V656 PolarHBondContact O-N 3.26Å; F652-H663 WeakPolarHBondContact CE2-O 3.23Å; F652-H663 HydrophobicContact CZ-CB 4.23Å; F652-H663 AromaticContact CZ-ND1 3.6Å; F652-A666 HydrophobicContact CD2-CB 4.01Å; F652-A666 HydrophobicContact CE2-CB 4.01Å; F652-A667 HydrophobicContact CD2-CB 4.33Å; F652-A667 HydrophobicContact CE2-CB 3.96Å; F652-T670 WeakPolarHBondContact CA-OG1 3.41Å; F652-T670 HydrophobicContact CB-CG2 4.29Å
653	D	98.3	Very high	97.4	Very high	60 Å²	60	74.2 Å²	74.2	32%	0.321	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-39.8	-179.5	-53.2	-48.4	0	0	0	110.5	S650 L655 V656 E657	S650-D653 VanDerWaalsContact CB-OD2 3.28Å; S650-D653 WeakPolarHBondContact CB-OD2 3.12Å; S650-D653 PolarHBondContact N-OD2 3.15Å; S650-D653 PolarHBondContact O-N 3.5Å; S650-D653 PolarHBondContact OG-N 3.32Å; S650-D653 PolarHBondContact OG-OD2 3.49Å; D653-L655 PolarHBondContact O-N 2.56Å; D653-V656 PolarHBondContact O-N 3.15Å; D653-E657 WeakPolarHBondContact O-CB 3.38Å; D653-E657 WeakPolarHBondContact O-CG 3.21Å; D653-E657 PolarHBondContact O-N 3.5Å
654	V	98.1	Very high	97.5	Very high	14 Å²	14	79.9 Å²	79.9	9%	0.085	41%	0.409	C	S	.	.	H	α-helix	trans	-58	-48.6	173.4	166.9	0	0	0	0	111.4	F585 W649 S650 F652 V656 K658 Y659	F585-V654 HydrophobicContact CE2-CG1 4.46Å; F585-V654 HydrophobicContact CZ-CG1 4.32Å; W649-V654 HydrophobicContact CB-CG2 4.2Å; W649-V654 HydrophobicContact CD2-CG2 3.49Å; W649-V654 VanDerWaalsContact CD2-CG2 3.49Å; W649-V654 HydrophobicContact CE3-CG2 3.77Å; W649-V654 HydrophobicContact CG-CG2 3.67Å; W649-V654 HydrophobicContact CZ3-CG2 4.42Å; S650-V654 WeakPolarHBondContact O-CB 3.43Å; S650-V654 WeakPolarHBondContact O-CG2 3.44Å; S650-V654 PolarHBondContact O-N 3.06Å; F652-V654 VanDerWaalsContact C-N 3.32Å; F652-V654 PolarHBondContact O-N 3.35Å; V654-V656 PolarHBondContact O-N 2.86Å; V654-K658 VanDerWaalsContact O-CB 3.23Å; V654-K658 WeakPolarHBondContact O-CB 3.3Å; V654-K658 PolarHBondContact O-N 3.24Å; V654-Y659 HydrophobicContact CG1-CD2 4.22Å; V654-Y659 HydrophobicContact CG1-CE2 3.7Å; V654-Y659 WeakPolarHBondContact O-CD2 3.07Å; V654-Y659 PolarHBondContact O-N 3.01Å
655	L	98.5	Very high	97.6	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-42.6	178.9	-73.2	166.6	0	0	0	112.2	F585 T589 L651 F652 D653 Y659 G660 W661 A666 F669	F585-L655 HydrophobicContact CE2-CD2 4.19Å; T589-L655 HydrophobicContact CG2-CD2 4.21Å; L651-L655 HydrophobicContact CD1-CD1 4.34Å; L651-L655 HydrophobicContact CD1-CG 4.48Å; L651-L655 HydrophobicContact CG-CD1 4.3Å; L651-L655 WeakPolarHBondContact O-CD1 3.36Å; L651-L655 VanDerWaalsContact O-CG 3.26Å; L651-L655 WeakPolarHBondContact O-CG 3.43Å; L651-L655 PolarHBondContact O-N 3.31Å; L651-L655 VanDerWaalsContact O-N 3.1Å; F652-L655 PolarHBondContact O-N 3.02Å; D653-L655 PolarHBondContact O-N 2.56Å; L655-Y659 HydrophobicContact CD2-CD2 4.45Å; L655-Y659 CarbonylContact O-C 3.59Å; L655-Y659 PolarHBondContact O-N 3.46Å; L655-G660 PolarHBondContact O-N 3.31Å; L655-W661 HydrophobicContact CB-CB 4.35Å; L655-W661 HydrophobicContact CB-CG 4.4Å; L655-W661 HydrophobicContact CD2-CD2 4.05Å; L655-W661 HydrophobicContact CD2-CE3 4.34Å; L655-W661 HydrophobicContact CD2-CG 4.43Å; L655-W661 HydrophobicContact CD2-CZ2 4.37Å; L655-W661 WeakPolarHBondContact O-CB 3.35Å; L655-W661 PolarHBondContact O-N 3.05Å; L655-A666 HydrophobicContact CB-CB 3.83Å; L655-A666 HydrophobicContact CD1-CB 4.4Å; L655-F669 HydrophobicContact CD1-CD1 3.82Å; L655-F669 HydrophobicContact CD2-CD1 4.11Å; L655-F669 HydrophobicContact CD2-CE1 4.36Å
656	V	98.4	Very high	97.8	Very high	31 Å²	31	69.4 Å²	69.4	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-74.8	-50.9	-179.2	173.6	0	0	0	0	112.2	F652 D653 V654 G660 A666	F652-V656 HydrophobicContact CD1-CG2 4.48Å; F652-V656 HydrophobicContact CE1-CG2 4.12Å; F652-V656 HydrophobicContact CE2-CG2 4.22Å; F652-V656 HydrophobicContact CZ-CG2 3.99Å; F652-V656 WeakPolarHBondContact O-CG2 3.35Å; F652-V656 PolarHBondContact O-N 3.26Å; D653-V656 PolarHBondContact O-N 3.15Å; V654-V656 PolarHBondContact O-N 2.86Å; V656-G660 WeakPolarHBondContact O-CA 3.28Å; V656-G660 PolarHBondContact O-N 2.88Å; V656-G660 VanDerWaalsContact O-N 3.15Å; V656-A666 HydrophobicContact CG2-CB 3.75Å
657	E	98.1	Very high	97.9	Very high	136 Å²	136	68.8 Å²	68.8	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-85.8	-36.4	-168.6	-61.2	-175.9	141.9	0	0	113.4	W649 D653	W649-E657 HydrophobicContact CZ2-CB 4.11Å; W649-E657 PolarHBondContact NE1-OE2 3.1Å; D653-E657 WeakPolarHBondContact O-CB 3.38Å; D653-E657 WeakPolarHBondContact O-CG 3.21Å; D653-E657 PolarHBondContact O-N 3.5Å
658	K	97.7	Very high	98	Very high	105 Å²	105	63.8 Å²	63.8	46%	0.457	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-47.9	177.5	-173.1	-173.8	165.2	-165.2	0	111.7	D591 W649 V654	D591-K658 WeakPolarHBondContact OD2-CE 3.26Å; D591-K658 IonicContact OD2-NZ 3.26Å; D591-K658 PolarHBondContact OD2-NZ 3.34Å; W649-K658 HydrophobicContact CH2-CB 3.9Å; W649-K658 HydrophobicContact CH2-CG 4.48Å; W649-K658 HydrophobicContact CZ2-CB 4.24Å; V654-K658 VanDerWaalsContact O-CB 3.23Å; V654-K658 WeakPolarHBondContact O-CB 3.3Å; V654-K658 PolarHBondContact O-N 3.24Å
659	Y	97.8	Very high	98.1	Very high	53 Å²	53	58.7 Å²	58.7	21%	0.208	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.1	-172	-53.9	-79.5	0	0	0	114.2	F585 T589 D591 V654 L655 W661	F585-Y659 HydrophobicContact CE2-CE2 4.23Å; F585-Y659 AromaticContact CZ-CE2 3.68Å; F585-Y659 HydrophobicContact CZ-CE2 3.68Å; F585-Y659 AromaticContact CZ-CZ 3.95Å; T589-Y659 HydrophobicContact CG2-CD1 4.25Å; T589-Y659 HydrophobicContact CG2-CD2 4.07Å; T589-Y659 HydrophobicContact CG2-CE1 4.12Å; T589-Y659 HydrophobicContact CG2-CE2 3.89Å; T589-Y659 HydrophobicContact CG2-CG 4.23Å; D591-Y659 HydrophobicContact CB-CE1 4.4Å; D591-Y659 WeakPolarHBondContact CB-OH 3.37Å; D591-Y659 PolarHBondContact OD2-OH 3.1Å; V654-Y659 HydrophobicContact CG1-CD2 4.22Å; V654-Y659 HydrophobicContact CG1-CE2 3.7Å; V654-Y659 WeakPolarHBondContact O-CD2 3.07Å; V654-Y659 PolarHBondContact O-N 3.01Å; L655-Y659 HydrophobicContact CD2-CD2 4.45Å; L655-Y659 CarbonylContact O-C 3.59Å; L655-Y659 PolarHBondContact O-N 3.46Å; Y659-W661 VanDerWaalsContact C-N 3.28Å; Y659-W661 PolarHBondContact O-N 3.16Å
660	G	97.9	Very high	98.1	Very high	61 Å²	61	54.5 Å²	54.5	63%	0.629	29%	0.294	S	S	*	.			trans	68.7	21	175.3	0	0	0	0	0	114.8	L655 V656	L655-G660 PolarHBondContact O-N 3.31Å; V656-G660 WeakPolarHBondContact O-CA 3.28Å; V656-G660 PolarHBondContact O-N 2.88Å; V656-G660 VanDerWaalsContact O-N 3.15Å
661	W	98.3	Very high	98.2	Very high	32 Å²	32	57.1 Å²	57.1	12%	0.121	30%	0.304	C	S	.	.			trans	-64.6	144	-178	-80.5	40.4	0	0	0	111.7	V197 A588 L655 Y659 H663 D665 A666 F669	V197-W661 HydrophobicContact CG1-CH2 4.43Å; V197-W661 HydrophobicContact CG2-CH2 3.61Å; V197-W661 HydrophobicContact CG2-CZ2 3.96Å; V197-W661 HydrophobicContact CG2-CZ3 4.24Å; A588-W661 HydrophobicContact CB-CH2 3.96Å; A588-W661 HydrophobicContact CB-CZ2 3.89Å; L655-W661 HydrophobicContact CB-CB 4.35Å; L655-W661 HydrophobicContact CB-CG 4.4Å; L655-W661 HydrophobicContact CD2-CD2 4.05Å; L655-W661 HydrophobicContact CD2-CE3 4.34Å; L655-W661 HydrophobicContact CD2-CG 4.43Å; L655-W661 HydrophobicContact CD2-CZ2 4.37Å; L655-W661 WeakPolarHBondContact O-CB 3.35Å; L655-W661 PolarHBondContact O-N 3.05Å; Y659-W661 VanDerWaalsContact C-N 3.28Å; Y659-W661 PolarHBondContact O-N 3.16Å; W661-H663 PolarHBondContact O-N 2.59Å; W661-D665 HydrophobicContact CE3-CB 3.95Å; W661-D665 HydrophobicContact CZ3-CB 4.38Å; W661-A666 HydrophobicContact CB-CB 4.08Å; W661-F669 HydrophobicContact CE3-CD1 4.45Å; W661-F669 AromaticContact CH2-CD1 3.53Å; W661-F669 HydrophobicContact CH2-CD1 3.53Å; W661-F669 AromaticContact CH2-CE1 3.82Å; W661-F669 HydrophobicContact CH2-CE1 3.82Å; W661-F669 HydrophobicContact CH2-CG 4.22Å; W661-F669 HydrophobicContact CZ2-CD1 4.44Å; W661-F669 HydrophobicContact CZ2-CE1 4.49Å; W661-F669 HydrophobicContact CZ3-CB 3.91Å; W661-F669 AromaticContact CZ3-CD1 3.54Å; W661-F669 HydrophobicContact CZ3-CD1 3.54Å; W661-F669 HydrophobicContact CZ3-CE1 4.31Å; W661-F669 AromaticContact CZ3-CG 3.99Å; W661-F669 HydrophobicContact CZ3-CG 3.99Å
662	P	98.3	Very high	98.2	Very high	77 Å²	77	57.1 Å²	57.1	50%	0.5	30%	0.304	S	S	.	.			trans	-55.5	137	167.7	-23.9	35.1	0	0	0	110.8	E664 D665 A666	P662-E664 PolarHBondContact O-N 3.17Å; P662-D665 HydrophobicContact CB-CB 4.46Å; P662-D665 WeakPolarHBondContact CG-OD2 3.35Å; P662-D665 PolarHBondContact O-N 3.31Å; P662-D665 VanDerWaalsContact O-N 3.12Å; P662-A666 WeakPolarHBondContact O-CB 3.48Å; P662-A666 PolarHBondContact O-N 3.21Å
663	H	98.1	Very high	98.2	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-53.7	-32.8	-178.7	-69.1	-61.7	0	0	0	113.5	F652 W661 A667	F652-H663 WeakPolarHBondContact CE2-O 3.23Å; F652-H663 HydrophobicContact CZ-CB 4.23Å; F652-H663 AromaticContact CZ-ND1 3.6Å; W661-H663 PolarHBondContact O-N 2.59Å; H663-A667 WeakPolarHBondContact O-CB 3.44Å; H663-A667 PolarHBondContact O-N 3.07Å
664	E	97.4	Very high	98.2	Very high	142 Å²	142	55 Å²	55	66%	0.664	29%	0.294	S	S	*	.	H	α-helix	trans	-70.7	-48.5	178.2	-172.9	171.3	176.5	0	0	112	P662 A666 A667 Q668	P662-E664 PolarHBondContact O-N 3.17Å; E664-A666 VanDerWaalsContact C-N 3.34Å; E664-A666 PolarHBondContact O-N 3.33Å; E664-A667 PolarHBondContact O-N 2.94Å; E664-Q668 WeakPolarHBondContact O-CG 3.21Å; E664-Q668 PolarHBondContact O-N 2.97Å; E664-Q668 PolarHBondContact OE1-NE2 3.02Å
665	D	97.2	Very high	98.3	Very high	74 Å²	74	56.9 Å²	56.9	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-42.3	176.6	-67.1	-48.9	0	0	0	111.4	W661 P662 Q668 F669	W661-D665 HydrophobicContact CE3-CB 3.95Å; W661-D665 HydrophobicContact CZ3-CB 4.38Å; P662-D665 HydrophobicContact CB-CB 4.46Å; P662-D665 WeakPolarHBondContact CG-OD2 3.35Å; P662-D665 PolarHBondContact O-N 3.31Å; P662-D665 VanDerWaalsContact O-N 3.12Å; D665-Q668 PolarHBondContact O-N 3.09Å; D665-F669 VanDerWaalsContact O-CB 3.31Å; D665-F669 WeakPolarHBondContact O-CB 3.46Å; D665-F669 PolarHBondContact O-N 3.41Å
666	A	98.4	Very high	98.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-39.8	176.1	0	0	0	0	0	112.1	F652 L655 V656 W661 P662 E664 T670	F652-A666 HydrophobicContact CD2-CB 4.01Å; F652-A666 HydrophobicContact CE2-CB 4.01Å; L655-A666 HydrophobicContact CB-CB 3.83Å; L655-A666 HydrophobicContact CD1-CB 4.4Å; V656-A666 HydrophobicContact CG2-CB 3.75Å; W661-A666 HydrophobicContact CB-CB 4.08Å; P662-A666 WeakPolarHBondContact O-CB 3.48Å; P662-A666 PolarHBondContact O-N 3.21Å; E664-A666 VanDerWaalsContact C-N 3.34Å; E664-A666 PolarHBondContact O-N 3.33Å; A666-T670 VanDerWaalsContact O-CB 3.27Å; A666-T670 WeakPolarHBondContact O-CB 3.42Å; A666-T670 PolarHBondContact O-N 2.89Å; A666-T670 PolarHBondContact O-OG1 3.04Å
667	A	98.4	Very high	98.3	Very high	45 Å²	45	55.5 Å²	55.5	37%	0.372	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-51.3	175.3	0	0	0	0	0	111.5	F652 H663 E664 F669 T670 D671	F652-A667 HydrophobicContact CD2-CB 4.33Å; F652-A667 HydrophobicContact CE2-CB 3.96Å; H663-A667 WeakPolarHBondContact O-CB 3.44Å; H663-A667 PolarHBondContact O-N 3.07Å; E664-A667 PolarHBondContact O-N 2.94Å; A667-F669 VanDerWaalsContact C-N 3.28Å; A667-F669 PolarHBondContact O-N 3.07Å; A667-T670 PolarHBondContact O-N 3.31Å; A667-D671 VanDerWaalsContact O-CB 3.29Å; A667-D671 WeakPolarHBondContact O-CB 3.28Å; A667-D671 PolarHBondContact O-N 3.44Å
668	Q	98.3	Very high	98.3	Very high	60 Å²	60	51.8 Å²	51.8	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-33.9	-179.1	-64.7	-178	29.6	0	0	112.5	E664 D665 F672 S698	E664-Q668 WeakPolarHBondContact O-CG 3.21Å; E664-Q668 PolarHBondContact O-N 2.97Å; E664-Q668 PolarHBondContact OE1-NE2 3.02Å; D665-Q668 PolarHBondContact O-N 3.09Å; Q668-F672 PolarHBondContact O-N 2.86Å; Q668-S698 PolarHBondContact OE1-OG 3.01Å
669	F	98.6	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-77.5	-37.4	177.5	-170.2	-142.7	0	0	0	112.5	A584 A588 L655 W661 D665 A667 F672 L673 W695	A584-F669 WeakPolarHBondContact O-CZ 3.27Å; A588-F669 HydrophobicContact CB-CE1 3.8Å; A588-F669 HydrophobicContact CB-CZ 3.8Å; L655-F669 HydrophobicContact CD1-CD1 3.82Å; L655-F669 HydrophobicContact CD2-CD1 4.11Å; L655-F669 HydrophobicContact CD2-CE1 4.36Å; W661-F669 HydrophobicContact CE3-CD1 4.45Å; W661-F669 AromaticContact CH2-CD1 3.53Å; W661-F669 HydrophobicContact CH2-CD1 3.53Å; W661-F669 AromaticContact CH2-CE1 3.82Å; W661-F669 HydrophobicContact CH2-CE1 3.82Å; W661-F669 HydrophobicContact CH2-CG 4.22Å; W661-F669 HydrophobicContact CZ2-CD1 4.44Å; W661-F669 HydrophobicContact CZ2-CE1 4.49Å; W661-F669 HydrophobicContact CZ3-CB 3.91Å; W661-F669 AromaticContact CZ3-CD1 3.54Å; W661-F669 HydrophobicContact CZ3-CD1 3.54Å; W661-F669 HydrophobicContact CZ3-CE1 4.31Å; W661-F669 AromaticContact CZ3-CG 3.99Å; W661-F669 HydrophobicContact CZ3-CG 3.99Å; D665-F669 VanDerWaalsContact O-CB 3.31Å; D665-F669 WeakPolarHBondContact O-CB 3.46Å; D665-F669 PolarHBondContact O-N 3.41Å; A667-F669 VanDerWaalsContact C-N 3.28Å; A667-F669 PolarHBondContact O-N 3.07Å; F669-F672 HydrophobicContact CD2-CD1 4.28Å; F669-F672 HydrophobicContact CE2-CD1 4.39Å; F669-F672 PolarHBondContact O-N 2.98Å; F669-L673 HydrophobicContact CD1-CD1 4.26Å; F669-L673 HydrophobicContact CD2-CD1 4.09Å; F669-L673 HydrophobicContact CD2-CG 4.05Å; F669-L673 HydrophobicContact CE1-CD1 3.87Å; F669-L673 HydrophobicContact CE2-CD1 3.69Å; F669-L673 HydrophobicContact CE2-CD2 4.08Å; F669-L673 HydrophobicContact CE2-CG 3.84Å; F669-L673 HydrophobicContact CG-CD1 4.37Å; F669-L673 HydrophobicContact CZ-CD1 3.58Å; F669-L673 HydrophobicContact CZ-CG 4.26Å; F669-L673 WeakPolarHBondContact O-CG 3.45Å; F669-L673 PolarHBondContact O-N 2.93Å; F669-W695 HydrophobicContact CD2-CD2 4.29Å; F669-W695 AromaticContact CD2-CE2 3.54Å; F669-W695 AromaticContact CD2-CH2 3.82Å; F669-W695 HydrophobicContact CD2-CH2 3.82Å; F669-W695 AromaticContact CD2-CZ2 3.28Å; F669-W695 HydrophobicContact CD2-CZ2 3.28Å; F669-W695 HydrophobicContact CD2-CZ3 4.49Å; F669-W695 AromaticContact CD2-NE1 3.9Å; F669-W695 AromaticContact CE2-CH2 3.61Å; F669-W695 HydrophobicContact CE2-CH2 3.61Å; F669-W695 AromaticContact CE2-CZ2 3.51Å; F669-W695 HydrophobicContact CE2-CZ2 3.51Å; F669-W695 HydrophobicContact CE2-CZ3 4.38Å; F669-W695 HydrophobicContact CG-CZ2 4.16Å
670	T	98.6	Very high	98.3	Very high	22 Å²	22	45.7 Å²	45.7	14%	0.135	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-45.6	172.1	-59.2	0	0	0	0	111.2	L651 F652 A666 A667 F672 L673 I674	L651-T670 HydrophobicContact CB-CG2 4.24Å; L651-T670 HydrophobicContact CD2-CG2 4.31Å; L651-T670 HydrophobicContact CG-CG2 4.36Å; F652-T670 WeakPolarHBondContact CA-OG1 3.41Å; F652-T670 HydrophobicContact CB-CG2 4.29Å; A666-T670 VanDerWaalsContact O-CB 3.27Å; A666-T670 WeakPolarHBondContact O-CB 3.42Å; A666-T670 PolarHBondContact O-N 2.89Å; A666-T670 PolarHBondContact O-OG1 3.04Å; A667-T670 PolarHBondContact O-N 3.31Å; T670-F672 VanDerWaalsContact C-N 3.25Å; T670-F672 PolarHBondContact O-N 3.48Å; T670-L673 PolarHBondContact O-N 3.44Å; T670-I674 HydrophobicContact CG2-CD1 4.48Å; T670-I674 HydrophobicContact CG2-CG1 3.75Å; T670-I674 WeakPolarHBondContact O-CB 3.38Å; T670-I674 VanDerWaalsContact O-CG1 3.27Å; T670-I674 WeakPolarHBondContact O-CG1 3.34Å; T670-I674 PolarHBondContact O-N 3.15Å
671	D	98.5	Very high	98.4	Very high	100 Å²	100	43.5 Å²	43.5	54%	0.535	23%	0.232	S	C	.	.	H	α-helix	trans	-57.7	-36.9	177	-171	56.8	0	0	0	112.1	A667 P675 H693	A667-D671 VanDerWaalsContact O-CB 3.29Å; A667-D671 WeakPolarHBondContact O-CB 3.28Å; A667-D671 PolarHBondContact O-N 3.44Å; D671-P675 WeakPolarHBondContact O-CD 3.43Å; D671-P675 WeakPolarHBondContact O-CG 3.11Å; D671-H693 IonicContact OD2-CE1 3.63Å; D671-H693 PolarHBondContact OD2-CE1 3.49Å; D671-H693 VanDerWaalsContact OD2-CE1 3.32Å; D671-H693 IonicContact OD2-NE2 3.72Å; D671-H693 PolarHBondContact OD2-NE2 3.38Å
672	F	98.8	Very high	98.3	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	26%	0.262	C	S	.	.	H	α-helix	trans	-72	-43.1	173.8	175.8	-114.5	0	0	0	114	I204 L208 Q668 F669 T670 M676 C690 H693 W695 L696	I204-F672 HydrophobicContact CG2-CE1 4.02Å; I204-F672 HydrophobicContact CG2-CZ 3.85Å; L208-F672 HydrophobicContact CD1-CE2 4.42Å; L208-F672 HydrophobicContact CD1-CZ 4Å; Q668-F672 PolarHBondContact O-N 2.86Å; F669-F672 HydrophobicContact CD2-CD1 4.28Å; F669-F672 HydrophobicContact CE2-CD1 4.39Å; F669-F672 PolarHBondContact O-N 2.98Å; T670-F672 VanDerWaalsContact C-N 3.25Å; T670-F672 PolarHBondContact O-N 3.48Å; F672-M676 HydrophobicContact CD1-SD 4.4Å; F672-M676 HydrophobicContact CE1-SD 3.84Å; F672-M676 HydrophobicContact CE2-SD 4.08Å; F672-M676 HydrophobicContact CZ-SD 3.67Å; F672-C690 HydrophobicContact CE2-CB 4.28Å; F672-H693 HydrophobicContact CD2-CB 3.73Å; F672-H693 AromaticContact CD2-CG 3.68Å; F672-H693 AromaticContact CD2-ND1 3.56Å; F672-H693 HydrophobicContact CE2-CB 4.11Å; F672-W695 HydrophobicContact CB-CB 3.92Å; F672-W695 HydrophobicContact CB-CD2 4.2Å; F672-W695 HydrophobicContact CB-CE3 4.32Å; F672-W695 HydrophobicContact CB-CG 4.04Å; F672-W695 AromaticContact CD1-CD2 3.91Å; F672-W695 HydrophobicContact CD1-CD2 3.91Å; F672-W695 AromaticContact CD1-CE3 3.3Å; F672-W695 HydrophobicContact CD1-CE3 3.3Å; F672-W695 HydrophobicContact CD1-CH2 4.35Å; F672-W695 AromaticContact CD1-CZ3 3.56Å; F672-W695 HydrophobicContact CD1-CZ3 3.56Å; F672-W695 HydrophobicContact CD2-CB 4.44Å; F672-W695 HydrophobicContact CD2-CE3 4.12Å; F672-W695 HydrophobicContact CE1-CD2 4.5Å; F672-W695 AromaticContact CE1-CE3 3.48Å; F672-W695 HydrophobicContact CE1-CE3 3.48Å; F672-W695 VanDerWaalsContact CE1-CE3 3.48Å; F672-W695 HydrophobicContact CE1-CH2 4.33Å; F672-W695 AromaticContact CE1-CZ3 3.38Å; F672-W695 HydrophobicContact CE1-CZ3 3.38Å; F672-W695 HydrophobicContact CE2-CE3 4.25Å; F672-W695 HydrophobicContact CG-CB 4.21Å; F672-W695 HydrophobicContact CG-CD2 4.03Å; F672-W695 AromaticContact CG-CE3 3.64Å; F672-W695 HydrophobicContact CG-CE3 3.64Å; F672-W695 HydrophobicContact CG-CG 4.29Å; F672-W695 HydrophobicContact CG-CZ3 4.36Å; F672-W695 AromaticContact CZ-CE3 3.95Å; F672-W695 HydrophobicContact CZ-CE3 3.95Å; F672-W695 HydrophobicContact CZ-CZ3 4.04Å; F672-L696 HydrophobicContact CE1-CD2 4.46Å; F672-L696 HydrophobicContact CE2-CD1 3.95Å; F672-L696 HydrophobicContact CE2-CD2 4.19Å; F672-L696 HydrophobicContact CE2-CG 3.89Å; F672-L696 HydrophobicContact CZ-CD1 4.2Å; F672-L696 HydrophobicContact CZ-CD2 3.86Å; F672-L696 HydrophobicContact CZ-CG 4.08Å
673	L	98.8	Very high	98.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-80.9	-32.6	-173.5	-69.5	-177.6	0	0	0	114	A581 A584 F585 L651 F669 T670 M676 L677	A581-L673 HydrophobicContact CB-CD2 4.12Å; A584-L673 HydrophobicContact CB-CD2 3.87Å; F585-L673 HydrophobicContact CB-CD1 4.31Å; L651-L673 HydrophobicContact CD2-CB 3.81Å; L651-L673 HydrophobicContact CD2-CD1 4.02Å; F669-L673 HydrophobicContact CD1-CD1 4.26Å; F669-L673 HydrophobicContact CD2-CD1 4.09Å; F669-L673 HydrophobicContact CD2-CG 4.05Å; F669-L673 HydrophobicContact CE1-CD1 3.87Å; F669-L673 HydrophobicContact CE2-CD1 3.69Å; F669-L673 HydrophobicContact CE2-CD2 4.08Å; F669-L673 HydrophobicContact CE2-CG 3.84Å; F669-L673 HydrophobicContact CG-CD1 4.37Å; F669-L673 HydrophobicContact CZ-CD1 3.58Å; F669-L673 HydrophobicContact CZ-CG 4.26Å; F669-L673 WeakPolarHBondContact O-CG 3.45Å; F669-L673 PolarHBondContact O-N 2.93Å; T670-L673 PolarHBondContact O-N 3.44Å; L673-M676 HydrophobicContact CD2-SD 4.35Å; L673-M676 CarbonylContact O-C 3.58Å; L673-M676 WeakPolarHBondContact O-CA 3.47Å; L673-M676 WeakPolarHBondContact O-CB 3.46Å; L673-M676 PolarHBondContact O-N 3.44Å; L673-L677 HydrophobicContact CB-CD1 4.33Å; L673-L677 WeakPolarHBondContact O-CG 3.26Å; L673-L677 PolarHBondContact O-N 3.39Å
674	I	98.5	Very high	98.3	Very high	74 Å²	74	46.8 Å²	46.8	38%	0.379	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-59.8	-43.1	-176.6	-71.3	-69.3	0	0	0	113	L616 L651 T670 M676 L677 E678	L616-I674 HydrophobicContact CD2-CD1 3.76Å; L651-I674 HydrophobicContact CD2-CD1 4.4Å; T670-I674 HydrophobicContact CG2-CD1 4.48Å; T670-I674 HydrophobicContact CG2-CG1 3.75Å; T670-I674 WeakPolarHBondContact O-CB 3.38Å; T670-I674 VanDerWaalsContact O-CG1 3.27Å; T670-I674 WeakPolarHBondContact O-CG1 3.34Å; T670-I674 PolarHBondContact O-N 3.15Å; I674-M676 PolarHBondContact O-N 3.21Å; I674-L677 CarbonylContact O-C 3.17Å; I674-L677 PolarHBondContact O-N 3.31Å; I674-L677 VanDerWaalsContact O-N 3.08Å; I674-E678 PolarHBondContact O-N 3.07Å; I674-E678 VanDerWaalsContact O-N 3.15Å
675	P	98.8	Very high	98.4	Very high	55 Å²	55	40.7 Å²	40.7	36%	0.357	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26.9	172.6	-24.7	35.2	0	0	0	114.4	D671 A685	D671-P675 WeakPolarHBondContact O-CD 3.43Å; D671-P675 WeakPolarHBondContact O-CG 3.11Å; P675-A685 HydrophobicContact CB-CB 3.94Å; P675-A685 PolarHBondContact O-N 2.74Å
676	M	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-81.6	-18.4	175.2	-59.8	177.8	64.3	0	0	112.8	L208 I577 T580 A581 F672 L673 I674 R684 C690	L208-M676 HydrophobicContact CD2-CE 4.26Å; I577-M676 HydrophobicContact CG2-CB 3.82Å; I577-M676 HydrophobicContact CG2-CE 3.93Å; I577-M676 HydrophobicContact CG2-CG 3.89Å; T580-M676 HydrophobicContact CG2-CE 3.83Å; A581-M676 HydrophobicContact CB-CB 3.75Å; A581-M676 HydrophobicContact CB-CE 4.17Å; F672-M676 HydrophobicContact CD1-SD 4.4Å; F672-M676 HydrophobicContact CE1-SD 3.84Å; F672-M676 HydrophobicContact CE2-SD 4.08Å; F672-M676 HydrophobicContact CZ-SD 3.67Å; L673-M676 HydrophobicContact CD2-SD 4.35Å; L673-M676 CarbonylContact O-C 3.58Å; L673-M676 WeakPolarHBondContact O-CA 3.47Å; L673-M676 WeakPolarHBondContact O-CB 3.46Å; L673-M676 PolarHBondContact O-N 3.44Å; I674-M676 PolarHBondContact O-N 3.21Å; M676-R684 WeakPolarHBondContact O-CD 3.24Å; M676-R684 WeakPolarHBondContact O-CG 3.46Å; M676-C690 VanDerWaalsContact CG-SG 3.56Å
677	L	98.8	Very high	98.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	-105.5	8.6	179.7	-68.1	170.9	0	0	0	113.1	W578 A581 L593 L616 L651 L673 I674 M679	W578-L677 HydrophobicContact CD2-CD2 4.07Å; W578-L677 HydrophobicContact CE3-CD2 4.12Å; W578-L677 HydrophobicContact CZ2-CD2 4.45Å; W578-L677 HydrophobicContact CZ3-CD2 4.35Å; W578-L677 VanDerWaalsContact CZ3-O 3.27Å; W578-L677 WeakPolarHBondContact CZ3-O 3.33Å; A581-L677 HydrophobicContact CB-CD1 4.47Å; A581-L677 HydrophobicContact CB-CD2 3.68Å; A581-L677 HydrophobicContact CB-CG 3.8Å; L593-L677 HydrophobicContact CD2-CD1 3.91Å; L593-L677 HydrophobicContact CD2-CD2 4.11Å; L616-L677 HydrophobicContact CD1-CB 3.95Å; L616-L677 WeakPolarHBondContact CD1-O 3.45Å; L616-L677 HydrophobicContact CD2-CB 4.2Å; L616-L677 HydrophobicContact CD2-CD1 4.35Å; L651-L677 HydrophobicContact CD2-CD1 4.37Å; L673-L677 HydrophobicContact CB-CD1 4.33Å; L673-L677 WeakPolarHBondContact O-CG 3.26Å; L673-L677 PolarHBondContact O-N 3.39Å; I674-L677 CarbonylContact O-C 3.17Å; I674-L677 PolarHBondContact O-N 3.31Å; I674-L677 VanDerWaalsContact O-N 3.08Å; L677-M679 PolarHBondContact O-N 3.07Å
678	E	98.6	Very high	98.5	Very high	58 Å²	58	38 Å²	38	27%	0.271	20%	0.199	S	C	.	.			trans	-56.8	127.8	173.4	161.9	62.3	-95.3	0	0	110.2	I674 V680 K683 R684	I674-E678 PolarHBondContact O-N 3.07Å; I674-E678 VanDerWaalsContact O-N 3.15Å; E678-V680 PolarHBondContact O-N 3.14Å; E678-V680 PolarHBondContact OE1-N 3.26Å; E678-K683 HydrophobicContact CG-CB 3.59Å; E678-K683 HydrophobicContact CG-CD 4.49Å; E678-R684 HydrophobicContact CB-CB 4.33Å; E678-R684 PolarHBondContact O-NE 2.79Å; E678-R684 PolarHBondContact O-NH2 2.83Å; E678-R684 VanDerWaalsContact O-NH2 3.07Å
679	M	97.9	Very high	98.5	Very high	19 Å²	19	39.7 Å²	39.7	9%	0.094	21%	0.207	C	C	.	.	S	Bend	trans	-71.3	-30.3	-169	-69.5	176.7	-93.1	0	0	112.3	I563 I612 L616 I619 F623 L677 P681	I563-M679 HydrophobicContact CG2-CB 4.33Å; I563-M679 WeakPolarHBondContact CG2-O 3.46Å; I612-M679 HydrophobicContact CG2-CG 4.44Å; I612-M679 HydrophobicContact CG2-SD 4.27Å; L616-M679 HydrophobicContact CB-CE 4.01Å; L616-M679 HydrophobicContact CD1-CG 4.31Å; I619-M679 HydrophobicContact CB-SD 4.06Å; I619-M679 HydrophobicContact CG1-SD 3.51Å; I619-M679 VanDerWaalsContact CG1-SD 3.51Å; I619-M679 HydrophobicContact CG2-SD 4.38Å; F623-M679 WeakPolarHBondContact CE1-O 3.4Å; F623-M679 VanDerWaalsContact CZ-O 3.25Å; F623-M679 WeakPolarHBondContact CZ-O 3.38Å; L677-M679 PolarHBondContact O-N 3.07Å; M679-P681 WeakPolarHBondContact O-CD 3.34Å
680	V	98.2	Very high	98.5	Very high	10 Å²	10	40 Å²	40	6%	0.061	21%	0.209	C	C	.	.	S	Bend	trans	-87.5	110.9	177.2	178.9	0	0	0	0	109.5	P620 F623 E678 E682 K683 R684	P620-V680 HydrophobicContact CB-CG2 4.48Å; P620-V680 HydrophobicContact CG-CG2 4.01Å; F623-V680 HydrophobicContact CB-CG2 4.35Å; F623-V680 HydrophobicContact CG-CG2 4.38Å; E678-V680 PolarHBondContact O-N 3.14Å; E678-V680 PolarHBondContact OE1-N 3.26Å; V680-E682 VanDerWaalsContact C-N 3.26Å; V680-E682 WeakPolarHBondContact CG1-OE2 3.2Å; V680-E682 PolarHBondContact O-N 3.39Å; V680-E682 VanDerWaalsContact O-N 3.12Å; V680-K683 HydrophobicContact CB-CD 4.18Å; V680-K683 HydrophobicContact CB-CG 4.35Å; V680-K683 HydrophobicContact CG1-CD 4.33Å; V680-K683 HydrophobicContact CG1-CG 4.17Å; V680-K683 PolarHBondContact O-N 2.79Å; V680-R684 PolarHBondContact O-N 2.94Å
681	P	98.2	Very high	98.5	Very high	15 Å²	15	40.7 Å²	40.7	10%	0.097	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.5	-33.7	-169.7	-27.4	36.6	0	0	0	114.4	E564 P574 F623 M679 K683 R684	E564-P681 HydrophobicContact CB-CG 3.83Å; E564-P681 HydrophobicContact CG-CG 3.92Å; P574-P681 HydrophobicContact CB-CB 4.1Å; P574-P681 HydrophobicContact CG-CB 4.19Å; P574-P681 WeakPolarHBondContact CG-O 3.32Å; F623-P681 HydrophobicContact CE2-CG 4.18Å; F623-P681 HydrophobicContact CZ-CG 4.25Å; M679-P681 WeakPolarHBondContact O-CD 3.34Å; P681-K683 PolarHBondContact O-N 3.29Å; P681-R684 PolarHBondContact O-N 2.94Å
682	E	97.7	Very high	98.4	Very high	161 Å²	161	44.4 Å²	44.4	75%	0.752	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-72.1	-5.1	-179.9	-54	83.9	172.9	0	0	114.1	V680	V680-E682 VanDerWaalsContact C-N 3.26Å; V680-E682 WeakPolarHBondContact CG1-OE2 3.2Å; V680-E682 PolarHBondContact O-N 3.39Å; V680-E682 VanDerWaalsContact O-N 3.12Å
683	K	98.2	Very high	98.4	Very high	130 Å²	130	46 Å²	46	57%	0.565	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-114.7	-13.6	175	-61.9	-177.7	-169.8	169.7	0	113.7	E678 V680 P681	E678-K683 HydrophobicContact CG-CB 3.59Å; E678-K683 HydrophobicContact CG-CD 4.49Å; V680-K683 HydrophobicContact CB-CD 4.18Å; V680-K683 HydrophobicContact CB-CG 4.35Å; V680-K683 HydrophobicContact CG1-CD 4.33Å; V680-K683 HydrophobicContact CG1-CG 4.17Å; V680-K683 PolarHBondContact O-N 2.79Å; P681-K683 PolarHBondContact O-N 3.29Å
684	R	98.7	Very high	98.3	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.045	26%	0.255	C	S	.	.	S	Bend	trans	-66.4	138.1	-179.5	-169.2	-177.7	-61	150.5	9	109.1	E564 P574 I577 M676 E678 V680 P681 S686	E564-R684 IonicContact OE1-CZ 2.63Å; E564-R684 IonicContact OE1-NH1 2.79Å; E564-R684 PolarHBondContact OE1-NH1 2.84Å; E564-R684 IonicContact OE1-NH2 2.83Å; E564-R684 PolarHBondContact OE1-NH2 3.32Å; E564-R684 IonicContact OE2-CZ 3.9Å; E564-R684 IonicContact OE2-NH1 2.63Å; E564-R684 PolarHBondContact OE2-NH1 2.86Å; E564-R684 IonicContact OE2-NH2 3.87Å; E564-R684 PolarHBondContact OE2-NH2 3.47Å; P574-R684 VanDerWaalsContact C-NH1 3.32Å; P574-R684 HydrophobicContact CB-CB 4.26Å; P574-R684 WeakPolarHBondContact O-CD 3.27Å; P574-R684 PolarHBondContact O-NH1 2.94Å; I577-R684 HydrophobicContact CG2-CG 4.44Å; M676-R684 WeakPolarHBondContact O-CD 3.24Å; M676-R684 WeakPolarHBondContact O-CG 3.46Å; E678-R684 HydrophobicContact CB-CB 4.33Å; E678-R684 PolarHBondContact O-NE 2.79Å; E678-R684 PolarHBondContact O-NH2 2.83Å; E678-R684 VanDerWaalsContact O-NH2 3.07Å; V680-R684 PolarHBondContact O-N 2.94Å; P681-R684 PolarHBondContact O-N 2.94Å; R684-S686 PolarHBondContact O-N 3.01Å
685	A	98.7	Very high	98.3	Very high	14 Å²	14	47.2 Å²	47.2	12%	0.116	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-58.1	137.6	-176.3	0	0	0	0	0	111.6	I577 P675 E689	I577-A685 WeakPolarHBondContact CG2-O 3.42Å; P675-A685 HydrophobicContact CB-CB 3.94Å; P675-A685 PolarHBondContact O-N 2.74Å; A685-E689 HydrophobicContact CB-CB 4.35Å
686	S	98.8	Very high	98.1	Very high	53 Å²	53	44.7 Å²	44.7	37%	0.371	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-75	160.6	170.9	62.2	0	0	0	0	111.7	R684 G688 E689 C690	R684-S686 PolarHBondContact O-N 3.01Å; S686-G688 VanDerWaalsContact C-N 3.33Å; S686-G688 PolarHBondContact O-N 3.34Å; S686-E689 WeakPolarHBondContact CB-OE2 3.43Å; S686-E689 PolarHBondContact N-OE2 3.34Å; S686-E689 WeakPolarHBondContact O-CA 3.41Å; S686-E689 WeakPolarHBondContact O-CB 3.37Å; S686-E689 PolarHBondContact O-N 3Å; S686-E689 VanDerWaalsContact OG-CD 3.27Å; S686-E689 WeakPolarHBondContact OG-CG 3.44Å; S686-E689 PolarHBondContact OG-N 2.72Å; S686-E689 PolarHBondContact OG-OE2 3.1Å; S686-C690 PolarHBondContact O-N 3.35Å; S686-C690 PolarHBondContact O-SG 3.44Å
687	A	98.6	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-54.3	-48.2	177.6	0	0	0	0	0	112.2	L208 L211 D212 I577 E689 C690 L691	L208-A687 HydrophobicContact CD2-CB 4.28Å; L211-A687 HydrophobicContact CB-CB 4Å; D212-A687 HydrophobicContact CB-CB 3.76Å; I577-A687 HydrophobicContact CD1-CB 3.85Å; A687-E689 VanDerWaalsContact C-N 3.26Å; A687-E689 PolarHBondContact O-N 3.26Å; A687-C690 PolarHBondContact O-N 2.75Å; A687-L691 WeakPolarHBondContact O-CG 3.13Å; A687-L691 PolarHBondContact O-N 2.77Å
688	G	98	Very high	96.1	Very high	10 Å²	10	54.1 Å²	54.1	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-24.6	174.2	0	0	0	0	0	115.3	D212 S686 R692	D212-G688 VanDerWaalsContact OD1-CA 3.28Å; D212-G688 WeakPolarHBondContact OD1-CA 3.33Å; D212-G688 PolarHBondContact OD1-N 2.78Å; S686-G688 VanDerWaalsContact C-N 3.33Å; S686-G688 PolarHBondContact O-N 3.34Å; G688-R692 VanDerWaalsContact O-CZ 3.31Å; G688-R692 PolarHBondContact O-NH1 3.03Å
689	E	98.4	Very high	96	Very high	95 Å²	95	54 Å²	54	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-75.5	-46.8	169.9	-79	162.2	141.7	0	0	111.6	A685 S686 A687 L691 R692	A685-E689 HydrophobicContact CB-CB 4.35Å; S686-E689 WeakPolarHBondContact CB-OE2 3.43Å; S686-E689 PolarHBondContact N-OE2 3.34Å; S686-E689 WeakPolarHBondContact O-CA 3.41Å; S686-E689 WeakPolarHBondContact O-CB 3.37Å; S686-E689 PolarHBondContact O-N 3Å; S686-E689 VanDerWaalsContact OG-CD 3.27Å; S686-E689 WeakPolarHBondContact OG-CG 3.44Å; S686-E689 PolarHBondContact OG-N 2.72Å; S686-E689 PolarHBondContact OG-OE2 3.1Å; A687-E689 VanDerWaalsContact C-N 3.26Å; A687-E689 PolarHBondContact O-N 3.26Å; E689-L691 PolarHBondContact O-N 2.78Å; E689-R692 WeakPolarHBondContact O-CB 3.25Å; E689-R692 PolarHBondContact O-N 3.26Å
690	C	98.6	Very high	95.9	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-37.7	176.2	-59	0	0	0	0	111.9	L208 F672 M676 S686 A687 R692 H693 L696	L208-C690 HydrophobicContact CD1-CB 3.58Å; L208-C690 HydrophobicContact CD2-CB 3.94Å; L208-C690 HydrophobicContact CG-CB 4.37Å; F672-C690 HydrophobicContact CE2-CB 4.28Å; M676-C690 VanDerWaalsContact CG-SG 3.56Å; S686-C690 PolarHBondContact O-N 3.35Å; S686-C690 PolarHBondContact O-SG 3.44Å; A687-C690 PolarHBondContact O-N 2.75Å; C690-R692 PolarHBondContact O-N 2.93Å; C690-H693 WeakPolarHBondContact O-CB 3.03Å; C690-H693 PolarHBondContact O-N 3.05Å; C690-L696 VanDerWaalsContact O-CD1 3.25Å; C690-L696 WeakPolarHBondContact O-CD1 3.49Å
691	L	98.3	Very high	95.8	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.199	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21	174.8	-72.9	175.5	0	0	0	114.4	R205 L208 Q209 D212 A687 E689 L696	R205-L691 HydrophobicContact CG-CD2 4.34Å; R205-L691 WeakPolarHBondContact O-CD2 3.4Å; L208-L691 HydrophobicContact CB-CD2 3.6Å; L208-L691 HydrophobicContact CB-CG 3.88Å; Q209-L691 HydrophobicContact CG-CD1 3.99Å; Q209-L691 HydrophobicContact CG-CD2 3.9Å; D212-L691 HydrophobicContact CB-CD1 4.21Å; A687-L691 WeakPolarHBondContact O-CG 3.13Å; A687-L691 PolarHBondContact O-N 2.77Å; E689-L691 PolarHBondContact O-N 2.78Å; L691-L696 HydrophobicContact CD2-CD1 4.44Å
692	R	97.7	Very high	95.6	Very high	177 Å²	177	60.9 Å²	60.9	67%	0.668	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.4	175.6	-62	-174.1	-63.9	-98.9	14.8	112.9	G688 E689 C690	G688-R692 VanDerWaalsContact O-CZ 3.31Å; G688-R692 PolarHBondContact O-NH1 3.03Å; E689-R692 WeakPolarHBondContact O-CB 3.25Å; E689-R692 PolarHBondContact O-N 3.26Å; C690-R692 PolarHBondContact O-N 2.93Å
693	H	98.3	Very high	95.5	Very high	37 Å²	37	54.6 Å²	54.6	17%	0.171	29%	0.286	C	S	.	.			trans	-70.4	137.3	-177.6	-154.7	-102.5	0	0	0	111.9	D671 F672 C690 W695 L696 N697	D671-H693 IonicContact OD2-CE1 3.63Å; D671-H693 PolarHBondContact OD2-CE1 3.49Å; D671-H693 VanDerWaalsContact OD2-CE1 3.32Å; D671-H693 IonicContact OD2-NE2 3.72Å; D671-H693 PolarHBondContact OD2-NE2 3.38Å; F672-H693 HydrophobicContact CD2-CB 3.73Å; F672-H693 AromaticContact CD2-CG 3.68Å; F672-H693 AromaticContact CD2-ND1 3.56Å; F672-H693 HydrophobicContact CE2-CB 4.11Å; C690-H693 WeakPolarHBondContact O-CB 3.03Å; C690-H693 PolarHBondContact O-N 3.05Å; H693-W695 PolarHBondContact O-N 3.21Å; H693-L696 PolarHBondContact O-N 2.7Å; H693-N697 PolarHBondContact O-ND2 2.85Å
694	P	97.2	Very high	95.3	Very high	93 Å²	93	49.6 Å²	49.6	60%	0.604	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-56.4	-35.6	-179.9	-28	36.1	0	0	0	114	L696 N697 S698	P694-L696 VanDerWaalsContact C-N 3.28Å; P694-L696 PolarHBondContact O-N 3.13Å; P694-N697 CarbonylContact O-C 3.55Å; P694-N697 PolarHBondContact O-N 2.96Å; P694-S698 PolarHBondContact O-N 3.32Å
695	W	97.6	Very high	95.1	Very high	6 Å²	6	52.3 Å²	52.3	2%	0.023	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.9	-35.3	-177.1	-176.5	82.3	0	0	0	114.3	V197 V200 K201 F669 F672 H693 N697 S698	V197-W695 HydrophobicContact CG1-CZ2 3.9Å; V200-W695 HydrophobicContact CG1-CH2 4.23Å; K201-W695 HydrophobicContact CB-CH2 4.45Å; K201-W695 HydrophobicContact CB-CZ3 4.43Å; K201-W695 HydrophobicContact CD-CD2 4.47Å; K201-W695 HydrophobicContact CD-CZ2 4.49Å; K201-W695 WeakPolarHBondContact CD-O 3.43Å; K201-W695 WeakPolarHBondContact CE-O 3.3Å; K201-W695 HydrophobicContact CG-CD2 3.96Å; K201-W695 HydrophobicContact CG-CE3 3.93Å; K201-W695 HydrophobicContact CG-CH2 3.61Å; K201-W695 HydrophobicContact CG-CZ2 3.63Å; K201-W695 HydrophobicContact CG-CZ3 3.76Å; K201-W695 PolarHBondContact NZ-O 2.63Å; F669-W695 HydrophobicContact CD2-CD2 4.29Å; F669-W695 AromaticContact CD2-CE2 3.54Å; F669-W695 AromaticContact CD2-CH2 3.82Å; F669-W695 HydrophobicContact CD2-CH2 3.82Å; F669-W695 AromaticContact CD2-CZ2 3.28Å; F669-W695 HydrophobicContact CD2-CZ2 3.28Å; F669-W695 HydrophobicContact CD2-CZ3 4.49Å; F669-W695 AromaticContact CD2-NE1 3.9Å; F669-W695 AromaticContact CE2-CH2 3.61Å; F669-W695 HydrophobicContact CE2-CH2 3.61Å; F669-W695 AromaticContact CE2-CZ2 3.51Å; F669-W695 HydrophobicContact CE2-CZ2 3.51Å; F669-W695 HydrophobicContact CE2-CZ3 4.38Å; F669-W695 HydrophobicContact CG-CZ2 4.16Å; F672-W695 HydrophobicContact CB-CB 3.92Å; F672-W695 HydrophobicContact CB-CD2 4.2Å; F672-W695 HydrophobicContact CB-CE3 4.32Å; F672-W695 HydrophobicContact CB-CG 4.04Å; F672-W695 AromaticContact CD1-CD2 3.91Å; F672-W695 HydrophobicContact CD1-CD2 3.91Å; F672-W695 AromaticContact CD1-CE3 3.3Å; F672-W695 HydrophobicContact CD1-CE3 3.3Å; F672-W695 HydrophobicContact CD1-CH2 4.35Å; F672-W695 AromaticContact CD1-CZ3 3.56Å; F672-W695 HydrophobicContact CD1-CZ3 3.56Å; F672-W695 HydrophobicContact CD2-CB 4.44Å; F672-W695 HydrophobicContact CD2-CE3 4.12Å; F672-W695 HydrophobicContact CE1-CD2 4.5Å; F672-W695 AromaticContact CE1-CE3 3.48Å; F672-W695 HydrophobicContact CE1-CE3 3.48Å; F672-W695 VanDerWaalsContact CE1-CE3 3.48Å; F672-W695 HydrophobicContact CE1-CH2 4.33Å; F672-W695 AromaticContact CE1-CZ3 3.38Å; F672-W695 HydrophobicContact CE1-CZ3 3.38Å; F672-W695 HydrophobicContact CE2-CE3 4.25Å; F672-W695 HydrophobicContact CG-CB 4.21Å; F672-W695 HydrophobicContact CG-CD2 4.03Å; F672-W695 AromaticContact CG-CE3 3.64Å; F672-W695 HydrophobicContact CG-CE3 3.64Å; F672-W695 HydrophobicContact CG-CG 4.29Å; F672-W695 HydrophobicContact CG-CZ3 4.36Å; F672-W695 AromaticContact CZ-CE3 3.95Å; F672-W695 HydrophobicContact CZ-CE3 3.95Å; F672-W695 HydrophobicContact CZ-CZ3 4.04Å; H693-W695 PolarHBondContact O-N 3.21Å; W695-N697 PolarHBondContact O-N 3.22Å; W695-S698 PolarHBondContact O-OG 2.79Å
696	L	95.4	Very high	94.8	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-74.2	-5	178.9	-65.4	176.3	0	0	0	113.9	I204 R205 L208 F672 C690 L691 H693 P694	I204-L696 HydrophobicContact CB-CD2 4.45Å; I204-L696 HydrophobicContact CG2-CD2 4.25Å; R205-L696 HydrophobicContact CB-CD1 4.47Å; R205-L696 HydrophobicContact CB-CD2 4.24Å; R205-L696 PolarHBondContact NH1-O 3.12Å; L208-L696 HydrophobicContact CD1-CD1 3.85Å; F672-L696 HydrophobicContact CE1-CD2 4.46Å; F672-L696 HydrophobicContact CE2-CD1 3.95Å; F672-L696 HydrophobicContact CE2-CD2 4.19Å; F672-L696 HydrophobicContact CE2-CG 3.89Å; F672-L696 HydrophobicContact CZ-CD1 4.2Å; F672-L696 HydrophobicContact CZ-CD2 3.86Å; F672-L696 HydrophobicContact CZ-CG 4.08Å; C690-L696 VanDerWaalsContact O-CD1 3.25Å; C690-L696 WeakPolarHBondContact O-CD1 3.49Å; L691-L696 HydrophobicContact CD2-CD1 4.44Å; H693-L696 PolarHBondContact O-N 2.7Å; P694-L696 VanDerWaalsContact C-N 3.28Å; P694-L696 PolarHBondContact O-N 3.13Å
697	N	83.6	Confident	94.5	Very high	111 Å²	111	55.4 Å²	55.4	59%	0.594	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-126.7	11.6	-173.3	-59.4	-69.5	0	0	0	112.8	H693 P694 W695	H693-N697 PolarHBondContact O-ND2 2.85Å; P694-N697 CarbonylContact O-C 3.55Å; P694-N697 PolarHBondContact O-N 2.96Å; W695-N697 PolarHBondContact O-N 3.22Å
698	S	72.2	Confident	94.1	Very high	90 Å²	90	60.5 Å²	60.5	63%	0.629	32%	0.317	S	S	*	.			trans	-112.9	0	178.2	59.3	0	0	0	0	115	K201 Q668 P694 W695	K201-S698 WeakPolarHBondContact CD-O 3.38Å; K201-S698 VanDerWaalsContact NZ-C 3.34Å; K201-S698 PolarHBondContact NZ-O 2.97Å; K201-S698 PolarHBondContact NZ-OG 2.98Å; Q668-S698 PolarHBondContact OE1-OG 3.01Å; P694-S698 PolarHBondContact O-N 3.32Å; W695-S698 PolarHBondContact O-OG 2.79Å

Retrieved 698 of 698 residues in 108.8 ms (Link to these results)

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