A0A096MW06_PAPAN Loading...

Retinoic acid receptor RXR

Receptor for retinoic acid that acts as a transcription factor. Forms homo- or heterodimers with retinoic acid receptors (rars) and binds to target response elements in response to their ligands, all-trans or 9-cis retinoic acid, to regulate gene expression in various biological processes.

AlphaFold DB (Q5REL6), UniProt , Accession A0A096MW06, Species PAPAN (Papio anubis, Olive baboon), Gene RXRG, Length 463 aa.

Structure Viewer

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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	33.6	Very low	34.6	Very low	214 Å²	214	145.5 Å²	145.5	100%	1.054	71%	0.707	S	S	*	*				0	87.3	0	-70.2	171.4	175.2	0	0	107.8
2	Y	32.8	Very low	34.5	Very low	224 Å²	224	143.8 Å²	143.8	88%	0.878	72%	0.716	S	S	*	*			trans	-137.8	93.6	175.1	-72.4	-74.2	0	0	0	107.1
3	G	34.3	Very low	34.5	Very low	49 Å²	49	141.4 Å²	141.4	51%	0.505	73%	0.733	S	S	.	*			trans	-76.4	120.5	173.3	0	0	0	0	0	109.4	Y5	G3-Y5 PolarHBondContact O-N 3.18Å
4	N	34.8	Very low	34.5	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	73%	0.725	S	S	*	*			trans	-79.9	74.5	-174.4	-86.8	-28.5	0	0	0	112.2	S6	N4-S6 PolarHBondContact O-N 2.87Å; N4-S6 VanDerWaalsContact O-N 3.15Å
5	Y	40.9	Very low	34.4	Very low	94 Å²	94	142.7 Å²	142.7	37%	0.369	74%	0.74	S	S	.	*	G	3₁₀ helix	trans	-63	-14.7	166.6	-78.7	-95.9	0	0	0	112.6	G3 H7 N378 D380 R394	G3-Y5 PolarHBondContact O-N 3.18Å; Y5-H7 PolarHBondContact O-N 3.19Å; Y5-N378 PolarHBondContact OH-OD1 2.89Å; Y5-D380 PolarHBondContact OH-OD2 2.78Å; Y5-D380 VanDerWaalsContact OH-OD2 3.07Å; Y5-R394 PolarHBondContact OH-NH1 3.43Å; Y5-R394 PolarHBondContact OH-NH2 3.01Å
6	S	34.3	Very low	34.4	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-69.4	-6.5	-179.1	-49.2	0	0	0	0	115.5	N4	N4-S6 PolarHBondContact O-N 2.87Å; N4-S6 VanDerWaalsContact O-N 3.15Å
7	H	36.8	Very low	34.4	Very low	147 Å²	147	134.9 Å²	134.9	68%	0.681	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-99.5	-2.8	-172.1	-144.2	-72	0	0	0	115.6	Y5	Y5-H7 PolarHBondContact O-N 3.19Å
8	F	36.2	Very low	34.1	Very low	170 Å²	170	133.8 Å²	133.8	75%	0.746	75%	0.749	S	S	*	*	S	Bend	trans	-112.3	-5.2	-176.6	-89.8	-85.5	0	0	0	116.3	K10	F8-K10 PolarHBondContact O-N 3.38Å
9	M	32.7	Very low	34.4	Very low	119 Å²	119	133.5 Å²	133.5	59%	0.586	75%	0.753	S	S	*	*			trans	-80.3	67	169.5	-68.8	-167.6	-174.2	0	0	112.1	L421	M9-L421 HydrophobicContact CE-CD2 4.03Å
10	K	31.3	Very low	34.4	Very low	187 Å²	187	130.3 Å²	130.3	81%	0.813	75%	0.751	S	S	*	*			trans	-108.3	93.6	160.6	-84.4	-174.7	175.2	178.3	0	109.2	F8	F8-K10 PolarHBondContact O-N 3.38Å
11	F	32.6	Very low	34.8	Very low	158 Å²	158	133.3 Å²	133.3	69%	0.693	76%	0.758	S	S	*	*			trans	-60.8	142	171.3	-71	-85.3	0	0	0	110.9	A13 A417	F11-A13 PolarHBondContact O-N 3.23Å; F11-A417 HydrophobicContact CZ-CB 4.37Å
12	P	34.3	Very low	35	Very low	125 Å²	125	129.6 Å²	129.6	81%	0.812	75%	0.748	S	S	*	*			trans	-66.5	117.2	166.7	28.2	-32.1	0	0	0	109	G14	P12-G14 PolarHBondContact O-N 3.01Å; P12-G14 VanDerWaalsContact O-N 3.16Å
13	A	33.7	Very low	35.4	Very low	113 Å²	113	122.8 Å²	122.8	93%	0.934	75%	0.746	S	S	*	*			trans	-75.9	101.6	175.1	0	0	0	0	0	109.8	F11	F11-A13 PolarHBondContact O-N 3.23Å
14	G	34.3	Very low	35.7	Very low	61 Å²	61	125.8 Å²	125.8	63%	0.629	76%	0.759	S	S	*	*			trans	-177.1	93.2	176.6	0	0	0	0	0	113.5	P12	P12-G14 PolarHBondContact O-N 3.01Å; P12-G14 VanDerWaalsContact O-N 3.16Å
15	Y	33.4	Very low	36.1	Very low	242 Å²	242	126 Å²	126	95%	0.949	77%	0.765	S	S	*	*			trans	168.5	89.1	140.1	-106.6	-80.8	0	0	0	108.7
16	G	34.2	Very low	36.2	Very low	77 Å²	77	126.2 Å²	126.2	79%	0.794	78%	0.78	S	S	*	*			trans	-105.1	100.8	168.4	0	0	0	0	0	109.5
17	G	34.2	Very low	36.9	Very low	75 Å²	75	129.4 Å²	129.4	77%	0.773	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76.5	133.8	175.3	0	0	0	0	0	111.9
18	S	30.3	Very low	37.1	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.3	149.5	177.1	-47.1	0	0	0	0	112.7
19	P	39.8	Very low	37.5	Very low	129 Å²	129	124.6 Å²	124.6	84%	0.838	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-93.3	136.9	145.7	3.1	17.1	0	0	0	109.4
20	G	34.7	Very low	38.4	Very low	69 Å²	69	124.6 Å²	124.6	71%	0.711	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-87.9	173.3	-171.8	0	0	0	0	0	115.5
21	H	40.9	Very low	38.9	Very low	193 Å²	193	120.7 Å²	120.7	89%	0.894	80%	0.8	S	S	*	*			trans	-147.7	155.7	154.7	-108.3	-77.2	0	0	0	111.3
22	T	38	Very low	39.4	Very low	137 Å²	137	117.6 Å²	117.6	84%	0.84	80%	0.804	S	S	*	*			trans	-81.4	145.9	-166.4	49	0	0	0	0	115.1
23	G	41.5	Very low	39.9	Very low	81 Å²	81	119.8 Å²	119.8	84%	0.835	81%	0.808	S	S	*	*			trans	-172.4	122.4	166.7	0	0	0	0	0	112.5
24	S	40	Very low	40.3	Very low	111 Å²	111	119.4 Å²	119.4	78%	0.776	80%	0.798	S	S	*	*			trans	-95.7	-180	-166.3	-58.5	0	0	0	0	115.1
25	T	43.6	Very low	40.7	Very low	133 Å²	133	123.1 Å²	123.1	82%	0.816	81%	0.809	S	S	*	*			trans	85	139	166.5	70.5	0	0	0	0	117.1
26	S	43.4	Very low	41	Very low	97 Å²	97	115.3 Å²	115.3	68%	0.678	80%	0.802	S	S	*	*			cis	176.1	151	-25.9	48.1	0	0	0	0	108.9
27	M	48.2	Very low	41.5	Very low	179 Å²	179	121.6 Å²	121.6	88%	0.882	81%	0.807	S	S	*	*			trans	72.7	150.1	168.3	-54.7	-121.2	117.9	0	0	116.4
28	S	42.7	Very low	42.1	Very low	92 Å²	92	123.9 Å²	123.9	64%	0.643	81%	0.809	S	S	*	*			cis	-159.3	149.9	-20.7	-97.7	0	0	0	0	111.1
29	P	44.4	Very low	43.1	Very low	123 Å²	123	127 Å²	127	80%	0.799	81%	0.813	S	S	*	*			trans	-109.6	171.3	-176.3	41	-34.3	0	0	0	114.6
30	S	50.5	Low	43	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	81%	0.814	S	S	*	*			trans	-148.5	122.3	164.8	-80.9	0	0	0	0	112.6
31	A	43.4	Very low	43.6	Very low	104 Å²	104	131 Å²	131	86%	0.86	82%	0.82	S	S	*	*			trans	41	146.2	135.1	0	0	0	0	0	121.7
32	A	43.1	Very low	43.5	Very low	94 Å²	94	130.6 Å²	130.6	78%	0.777	82%	0.818	S	S	*	*			cis	-153.6	177.6	23.1	0	0	0	0	0	115.7
33	L	43.9	Very low	43.9	Very low	171 Å²	171	129.1 Å²	129.1	90%	0.895	81%	0.811	S	S	*	*			trans	-52.9	166.3	174.5	-79.8	56.8	0	0	0	114.1
34	S	42.2	Very low	43.7	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	80%	0.8	S	S	*	*			cis	-161.1	146.1	43.2	168.2	0	0	0	0	116.1
35	T	42.2	Very low	43.7	Very low	138 Å²	138	133.9 Å²	133.9	85%	0.847	80%	0.801	S	S	*	*			trans	-29	149.8	160.1	31	0	0	0	0	122.2
36	G	41	Very low	43.6	Very low	78 Å²	78	132.6 Å²	132.6	80%	0.804	79%	0.794	S	S	*	*			trans	-162.8	140.6	155.6	0	0	0	0	0	111.2
37	K	42.7	Very low	43.5	Very low	209 Å²	209	135 Å²	135	91%	0.909	80%	0.799	S	S	*	*			trans	-99	160.3	-165.9	-76.8	-178.2	175.5	-179.1	0	115.4
38	P	47	Very low	42.9	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	80%	0.795	S	S	*	*			trans	-94.3	171.3	173.6	39.1	-36	0	0	0	114.3
39	M	52.5	Low	43	Very low	182 Å²	182	133.3 Å²	133.3	90%	0.897	80%	0.797	S	S	*	*			trans	-147.2	147.6	163.2	-95.1	-171.2	69.4	0	0	111.3
40	D	38.1	Very low	42.8	Very low	159 Å²	159	133.6 Å²	133.6	85%	0.85	80%	0.796	S	S	*	*			trans	-89.8	155.2	-175.8	-53.7	-80	0	0	0	114.8
41	S	45.7	Very low	42.5	Very low	121 Å²	121	133.7 Å²	133.7	85%	0.846	80%	0.797	S	S	*	*			trans	-162.8	124.3	152	59.4	0	0	0	0	113.4
42	H	39.5	Very low	42.1	Very low	186 Å²	186	133.2 Å²	133.2	86%	0.861	79%	0.793	S	S	*	*			trans	-114.2	179.2	171.2	-116	-90.6	0	0	0	107.6
43	P	46.4	Very low	42.2	Very low	105 Å²	105	134.1 Å²	134.1	68%	0.682	79%	0.791	S	S	*	*				-132.7	-162.3	-63.3	36.6	-16.2	0	0	0	113.1
44	S	37.1	Very low	42	Very low	87 Å²	87	138.3 Å²	138.3	61%	0.608	80%	0.795	S	S	*	*			trans	109.4	150.9	138.8	-153.7	0	0	0	0	120.5
45	Y	40.4	Very low	41.7	Very low	205 Å²	205	139.5 Å²	139.5	80%	0.804	80%	0.798	S	S	*	*			trans	70.4	143.1	171.2	-59.4	-86.8	0	0	0	117.1
46	T	41.1	Very low	41.7	Very low	107 Å²	107	141.5 Å²	141.5	66%	0.656	80%	0.802	S	S	*	*			cis	-162.6	165.1	-13.8	10.1	0	0	0	0	111
47	D	40.7	Very low	41.3	Very low	148 Å²	148	143.3 Å²	143.3	79%	0.791	80%	0.802	S	S	*	*			trans	138.3	128.8	132.1	-75	-38.4	0	0	0	117.8
48	T	36.2	Very low	41.2	Very low	130 Å²	130	138.3 Å²	138.3	80%	0.798	80%	0.801	S	S	*	*			trans	-104.2	-162.4	175.4	51.9	0	0	0	0	107.7
49	P	44.3	Very low	40.7	Very low	105 Å²	105	139.6 Å²	139.6	68%	0.682	81%	0.806	S	S	*	*			cis	-149.6	172.7	8.9	43.7	-21.8	0	0	0	120.3
50	V	41.1	Very low	40	Very low	128 Å²	128	134.5 Å²	134.5	78%	0.776	80%	0.799	S	S	*	*			trans	59.1	124.6	137.8	168.9	0	0	0	0	122
51	S	43.1	Very low	39.9	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	80%	0.8	S	S	*	*				-161.9	123.2	128.4	-84.3	0	0	0	0	113
52	A	36	Very low	39.6	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	80%	0.796	S	S	*	*			trans	-168.4	-176.5	173.2	0	0	0	0	0	107.2
53	P	45	Very low	39.4	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	80%	0.795	S	S	*	*			cis	-124.4	-177.8	-31.7	38	-23.7	0	0	0	111.5
54	R	40.9	Very low	38.7	Very low	259 Å²	259	134.3 Å²	134.3	98%	0.977	80%	0.8	S	S	*	*			trans	-146.9	121.8	146.3	-77.3	-157.3	173.9	172.8	-0.7	112.9
55	T	35.2	Very low	38.3	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	81%	0.81	S	S	*	*			trans	-92.6	154.6	169.5	46.3	0	0	0	0	111.5
56	L	42.7	Very low	38.2	Very low	180 Å²	180	133.7 Å²	133.7	94%	0.942	82%	0.817	S	S	*	*			trans	-161.4	135.5	146.1	-108.7	169.2	0	0	0	110.6
57	S	32.4	Very low	37.8	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	82%	0.819	S	S	*	*			trans	-101.1	151.1	-174.3	-47.7	0	0	0	0	112.5
58	A	39.6	Very low	37.4	Very low	105 Å²	105	130 Å²	130	87%	0.868	82%	0.817	S	S	*	*			trans	-155.5	154.1	155.7	0	0	0	0	0	111
59	V	38	Very low	37.3	Very low	150 Å²	150	129.2 Å²	129.2	91%	0.909	82%	0.815	S	S	*	*			trans	-105.7	144.9	-168	176.7	0	0	0	0	111.3
60	G	36.9	Very low	37	Very low	74 Å²	74	133.7 Å²	133.7	76%	0.763	82%	0.82	S	S	*	*			trans	-179.4	115.8	169.1	0	0	0	0	0	114
61	T	36.5	Very low	36.8	Very low	140 Å²	140	139.3 Å²	139.3	86%	0.859	83%	0.827	S	S	*	*			trans	-86.6	169.3	-177.8	21	0	0	0	0	113.4
62	P	38.3	Very low	36.5	Very low	118 Å²	118	139.2 Å²	139.2	77%	0.766	82%	0.821	S	S	*	*			trans	-99.5	163.5	-140.2	38.7	-39.1	0	0	0	115.9
63	L	36.1	Very low	36.5	Very low	159 Å²	159	142 Å²	142	83%	0.832	82%	0.821	S	S	*	*			trans	-153.1	117.5	163.7	-104.7	141.9	0	0	0	112.8
64	N	31.1	Very low	35.8	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	82%	0.823	S	S	*	*			trans	40	143.9	143.9	-66.5	-12.8	0	0	0	124.2
65	A	30.1	Very low	35.5	Very low	97 Å²	97	135.8 Å²	135.8	80%	0.802	82%	0.815	S	S	*	*			trans	79.9	86	143.2	0	0	0	0	0	119.9
66	L	36.7	Very low	35.4	Very low	183 Å²	183	133.8 Å²	133.8	96%	0.958	81%	0.812	S	S	*	*			trans	-144.3	129.4	144	-84.5	148.7	0	0	0	105.1
67	G	33.3	Very low	35.3	Very low	68 Å²	68	134.4 Å²	134.4	70%	0.701	81%	0.812	S	S	*	*			cis	131.6	62.4	15.1	0	0	0	0	0	109.3
68	S	32.9	Very low	35.3	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	81%	0.808	S	S	*	*			trans	-69.8	128.6	-173.7	-174.6	0	0	0	0	112.2	Y70	S68-Y70 PolarHBondContact O-N 2.95Å
69	P	33.3	Very low	35.7	Very low	115 Å²	115	133.2 Å²	133.2	75%	0.747	81%	0.805	S	S	*	*			trans	-95.8	79.8	-175	37.2	-34.2	0	0	0	112.7
70	Y	38.4	Very low	35.8	Very low	199 Å²	199	131.7 Å²	131.7	78%	0.78	80%	0.798	S	S	*	*			trans	-122.2	91.4	160.7	-83.2	-85.7	0	0	0	110.4	S68 V72	S68-Y70 PolarHBondContact O-N 2.95Å; Y70-V72 PolarHBondContact O-N 2.89Å
71	R	36.8	Very low	35.8	Very low	245 Å²	245	134.2 Å²	134.2	93%	0.925	80%	0.804	S	S	*	*			trans	-87.6	99.1	166.9	-83.6	-166.1	172.1	-145.4	-0.4	109.7
72	V	36.9	Very low	35.9	Very low	121 Å²	121	131.4 Å²	131.4	73%	0.733	80%	0.803	S	S	*	*			trans	-73.9	123.1	162.6	177.5	0	0	0	0	108.3	Y70 T74	Y70-V72 PolarHBondContact O-N 2.89Å; V72-T74 HydrophobicContact CG1-CG2 4.49Å; V72-T74 PolarHBondContact O-N 2.83Å
73	I	36.4	Very low	35.6	Very low	153 Å²	153	130.4 Å²	130.4	79%	0.785	81%	0.805	S	S	*	*			trans	-84.7	107.8	171.9	-63.1	176.9	0	0	0	108
74	T	29.2	Very low	35.7	Very low	125 Å²	125	131 Å²	131	77%	0.767	81%	0.808	S	S	*	*			trans	-86	121.3	169.5	55.1	0	0	0	0	110.1	V72	V72-T74 HydrophobicContact CG1-CG2 4.49Å; V72-T74 PolarHBondContact O-N 2.83Å
75	S	35.3	Very low	36	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	81%	0.807	S	S	*	*			trans	-107.8	112.6	162.7	-77.6	0	0	0	0	109.3
76	A	32.3	Very low	36.3	Very low	88 Å²	88	128 Å²	128	73%	0.727	80%	0.804	S	S	*	*			trans	-84.6	139.6	177.7	0	0	0	0	0	111.5
77	M	39.8	Very low	36.4	Very low	193 Å²	193	125.1 Å²	125.1	95%	0.951	80%	0.797	S	S	*	*			trans	-145.7	127.6	145.5	-80.5	-56.1	156.6	0	0	109
78	G	32.8	Very low	36.8	Very low	70 Å²	70	127.7 Å²	127.7	72%	0.722	80%	0.801	S	S	*	*			trans	-90.9	170.5	176.8	0	0	0	0	0	113.5
79	P	48.4	Very low	36.7	Very low	125 Å²	125	126.2 Å²	126.2	81%	0.812	80%	0.803	S	S	*	*			trans	-97.4	-174.3	-167.2	42.2	-38.3	0	0	0	112.8
80	P	40	Very low	37.1	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	81%	0.805	S	S	*	*				-149.8	155.2	89.1	38.4	-20.4	0	0	0	117.9
81	S	37	Very low	36.9	Very low	127 Å²	127	126.3 Å²	126.3	89%	0.888	81%	0.809	S	S	*	*			trans	31.6	125.6	139.4	-51.5	0	0	0	0	122.8
82	G	37.9	Very low	36.9	Very low	81 Å²	81	122.4 Å²	122.4	84%	0.835	81%	0.805	S	S	*	*			trans	-167.9	111	157.3	0	0	0	0	0	111.5
83	A	32.3	Very low	37	Very low	97 Å²	97	123 Å²	123	80%	0.802	81%	0.809	S	S	*	*			trans	-84.5	158.5	-176.2	0	0	0	0	0	113.1
84	L	38.5	Very low	36.8	Very low	171 Å²	171	120 Å²	120	90%	0.895	81%	0.807	S	S	*	*				177.5	126.2	123.3	-93.1	164	0	0	0	113.8
85	A	37.5	Very low	37.6	Very low	94 Å²	94	119.5 Å²	119.5	78%	0.777	81%	0.806	S	S	*	*			trans	44.1	121.8	146	0	0	0	0	0	123.1
86	A	36.9	Very low	37.6	Very low	90 Å²	90	119.8 Å²	119.8	74%	0.744	81%	0.805	S	S	*	*			trans	-82.7	173	149.6	0	0	0	0	0	110.6
87	P	39.5	Very low	37.6	Very low	124 Å²	124	121.4 Å²	121.4	81%	0.805	81%	0.811	S	S	*	*				-150.9	-151.7	80.5	43	-20	0	0	0	112.9
88	P	40.2	Very low	37.4	Very low	122 Å²	122	117.7 Å²	117.7	79%	0.792	80%	0.804	S	S	*	*				-130.7	164.9	-101.5	39.5	-20.7	0	0	0	117.1
89	G	32.3	Very low	37.3	Very low	77 Å²	77	123 Å²	123	79%	0.794	81%	0.81	S	S	*	*			trans	71.3	107.6	138	0	0	0	0	0	120
90	I	42	Very low	36.6	Very low	156 Å²	156	124.6 Å²	124.6	80%	0.8	81%	0.811	S	S	*	*			trans	-132.2	114.5	155.2	-50.4	177.4	0	0	0	108.7	L92	I90-L92 HydrophobicContact CG2-CD1 4.12Å
91	N	33	Very low	36.1	Very low	160 Å²	160	126.3 Å²	126.3	86%	0.856	81%	0.814	S	S	*	*			trans	-74	130	170.8	-72.6	-50.5	0	0	0	109.8
92	L	37.5	Very low	35.9	Very low	163 Å²	163	126 Å²	126	85%	0.853	81%	0.806	S	S	*	*			trans	-113.9	121.1	157.8	-102.3	84.3	0	0	0	110.4	I90	I90-L92 HydrophobicContact CG2-CD1 4.12Å
93	V	38.1	Very low	35.5	Very low	134 Å²	134	128.4 Å²	128.4	81%	0.812	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79	134.4	177.9	173.5	0	0	0	0	109.8
94	A	33.5	Very low	35.6	Very low	90 Å²	90	131.5 Å²	131.5	74%	0.744	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-92.2	130.3	167.8	0	0	0	0	0	110.6
95	P	45.2	Very low	35.1	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-86.2	154.4	167.3	34.2	-32.1	0	0	0	111.5
96	P	34.8	Very low	34.8	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.1	167.1	-168.7	35	-37.2	0	0	0	115
97	S	32.4	Very low	34.6	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	81%	0.809	S	S	*	*			trans	-45.8	138.7	177.9	-45.6	0	0	0	0	116.3
98	S	36.1	Very low	34.2	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	81%	0.806	S	S	*	*			trans	-115.6	114.1	163.9	-58.9	0	0	0	0	109.9
99	Q	30.9	Very low	34.3	Very low	182 Å²	182	130.8 Å²	130.8	85%	0.85	81%	0.805	S	S	*	*			trans	-78.5	136.8	170.2	-64.3	-178.7	-0.1	0	0	110
100	L	34.1	Very low	34.5	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	80%	0.804	S	S	*	*			trans	-133.6	89.4	166.9	-94.9	164.5	0	0	0	109.8	V102	L100-V102 HydrophobicContact CD2-CG2 4.25Å
101	N	28.3	Very low	34.1	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	81%	0.809	S	S	*	*			trans	-74.8	120.6	155.8	-86.4	-24.2	0	0	0	107.9
102	V	33.4	Very low	34.6	Very low	120 Å²	120	135.5 Å²	135.5	73%	0.727	81%	0.807	S	S	*	*			trans	-128.9	99.7	159.9	-178.5	0	0	0	0	108	L100	L100-V102 HydrophobicContact CD2-CG2 4.25Å
103	V	29.6	Very low	34.5	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	81%	0.805	S	S	*	*			trans	-75.9	137	156.8	-75.3	0	0	0	0	108.2
104	N	33.2	Very low	34.4	Very low	162 Å²	162	136 Å²	136	87%	0.866	80%	0.803	S	S	*	*			trans	-157.2	140	147.7	-115.4	-4.1	0	0	0	111.4
105	S	29.3	Very low	34.6	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	81%	0.81	S	S	*	*			trans	-89.6	-171.3	-175.2	-60.5	0	0	0	0	112.4
106	V	30.4	Very low	34.3	Very low	145 Å²	145	140.5 Å²	140.5	88%	0.879	81%	0.814	S	S	*	*			trans	66.8	121.3	168.3	-59.3	0	0	0	0	115.9
107	S	34.1	Very low	34.4	Very low	123 Å²	123	138 Å²	138	86%	0.86	81%	0.811	S	S	*	*				-154.9	159.5	57.4	-150	0	0	0	0	114.9
108	S	30.7	Very low	34.8	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	81%	0.814	S	S	*	*			trans	-108.4	141	-177.7	50.6	0	0	0	0	112.4
109	S	41	Very low	34.8	Very low	112 Å²	112	141 Å²	141	78%	0.783	82%	0.815	S	S	*	*			trans	170.4	140.2	161.8	-101	0	0	0	0	109.8
110	E	37.4	Very low	35.1	Very low	167 Å²	167	135.6 Å²	135.6	78%	0.78	81%	0.808	S	S	*	*			cis	-148	153.2	-19.2	-67.7	-165.5	104.4	0	0	108.6
111	D	33.5	Very low	35.6	Very low	169 Å²	169	136.9 Å²	136.9	90%	0.904	81%	0.813	S	S	*	*			trans	-80.2	131.2	164.9	-84.7	-69.6	0	0	0	110.8
112	I	42.6	Very low	36	Very low	155 Å²	155	133 Å²	133	80%	0.795	81%	0.81	S	S	*	*			trans	-124.3	112.5	166.5	-59.9	-179.9	0	0	0	110
113	K	36.6	Very low	36.1	Very low	190 Å²	190	134.7 Å²	134.7	83%	0.826	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-99.1	129	-178.8	-169.8	176.2	-174.5	176.1	0	109.5
114	P	36.3	Very low	36.7	Very low	119 Å²	119	136.5 Å²	136.5	77%	0.773	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.3	139.2	-175.9	30.6	-34	0	0	0	112.7
115	L	37.2	Very low	36.9	Very low	170 Å²	170	135.7 Å²	135.7	89%	0.89	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.5	144.4	169.6	-98.7	88.7	0	0	0	111.9
116	P	38.5	Very low	37.5	Very low	127 Å²	127	141.5 Å²	141.5	83%	0.825	82%	0.82	S	S	*	*			trans	-106.1	153.2	178.3	38.4	-33.1	0	0	0	115.1
117	G	37.6	Very low	37.9	Very low	71 Å²	71	140.3 Å²	140.3	73%	0.732	82%	0.816	S	S	*	*			trans	136.6	139.2	170.2	0	0	0	0	0	111.7
118	L	39.3	Very low	38	Very low	173 Å²	173	139.4 Å²	139.4	91%	0.906	81%	0.809	S	S	*	*			cis	-140.8	167.9	1.2	-124.5	78.9	0	0	0	108.9
119	P	37.5	Very low	38.4	Very low	126 Å²	126	140.6 Å²	140.6	82%	0.818	81%	0.812	S	S	*	*			trans	-93.4	155.1	-170	36.7	-34.1	0	0	0	114.7
120	G	36.2	Very low	38.6	Very low	68 Å²	68	138.4 Å²	138.4	70%	0.701	80%	0.797	S	S	*	*			trans	-171.9	92.5	173.8	0	0	0	0	0	115.9
121	I	44.4	Very low	39.4	Very low	184 Å²	184	136.2 Å²	136.2	94%	0.944	80%	0.798	S	S	*	*			trans	47.8	121.1	139.6	-54.6	162.9	0	0	0	119.1
122	G	36.7	Very low	40.5	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	78%	0.781	S	S	*	*			trans	147	102.2	151	0	0	0	0	0	116.9
123	N	35.8	Very low	41.3	Very low	156 Å²	156	125.9 Å²	125.9	83%	0.834	76%	0.76	S	S	*	*			trans	-68.7	135.5	165.2	-99.1	3.6	0	0	0	111.2
124	M	42.6	Very low	42.4	Very low	168 Å²	168	122.4 Å²	122.4	83%	0.828	75%	0.75	S	S	*	*				178.2	156.6	113	-94.1	-55.9	174.8	0	0	113.4
125	N	38.3	Very low	43.8	Very low	146 Å²	146	121.5 Å²	121.5	78%	0.781	74%	0.742	S	S	*	*			trans	-63.8	132.8	-172.6	-76.7	-18.4	0	0	0	115.5
126	Y	40.9	Very low	45.4	Very low	224 Å²	224	118.7 Å²	118.7	88%	0.878	72%	0.723	S	S	*	*			trans	-144.3	139.5	140.2	-83.4	-78	0	0	0	110.5	S128	Y126-S128 PolarHBondContact O-N 2.67Å
127	P	39.2	Very low	47.7	Very low	120 Å²	120	117.8 Å²	117.8	78%	0.779	71%	0.708	S	S	*	*			trans	-78.7	100.9	-177.5	30.7	-33.4	0	0	0	111.7	T129	P127-T129 PolarHBondContact O-N 3.03Å
128	S	34.9	Very low	50.5	Low	104 Å²	104	118.1 Å²	118.1	73%	0.727	69%	0.692	S	S	*	*			trans	-80.8	100.7	172.4	-173.6	0	0	0	0	111.4	Y126 S130	Y126-S128 PolarHBondContact O-N 2.67Å; S128-S130 VanDerWaalsContact C-N 3.3Å; S128-S130 PolarHBondContact O-N 2.86Å
129	T	39.4	Very low	53.3	Low	129 Å²	129	109.9 Å²	109.9	79%	0.791	65%	0.649	S	S	*	*			trans	-74.8	77.4	172.9	5.9	0	0	0	0	111.1	P127 P131	P127-T129 PolarHBondContact O-N 3.03Å; T129-P131 WeakPolarHBondContact O-CD 3.47Å
130	S	45.7	Very low	56.1	Low	67 Å²	67	106 Å²	106	47%	0.469	63%	0.628	S	S	.	*			trans	-66.8	125.3	167.1	-33.2	0	0	0	0	109.5	S128 G132 S133	S128-S130 VanDerWaalsContact C-N 3.3Å; S128-S130 PolarHBondContact O-N 2.86Å; S130-G132 PolarHBondContact O-N 2.84Å; S130-S133 WeakPolarHBondContact O-CB 3.35Å; S130-S133 PolarHBondContact O-N 2.67Å
131	P	53.8	Low	59.1	Low	121 Å²	121	102.8 Å²	102.8	79%	0.786	59%	0.594	S	S	*	*	H	α-helix	trans	-55.9	-30.8	-175.5	-29.3	36.1	0	0	0	114.7	T129 S133	T129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-S133 VanDerWaalsContact C-N 3.31Å; P131-S133 PolarHBondContact O-N 2.94Å
132	G	56.8	Low	61.6	Low	53 Å²	53	94.2 Å²	94.2	55%	0.546	55%	0.55	S	S	.	*	H	α-helix	trans	-74.1	-10.8	175.9	0	0	0	0	0	115.8	S130	S130-G132 PolarHBondContact O-N 2.84Å
133	S	59.1	Low	64.5	Low	53 Å²	53	93.2 Å²	93.2	37%	0.371	54%	0.54	S	S	.	.	H	α-helix	trans	-78	-38	179	-160.7	0	0	0	0	111.9	S130 P131 V135 K136	S130-S133 WeakPolarHBondContact O-CB 3.35Å; S130-S133 PolarHBondContact O-N 2.67Å; P131-S133 VanDerWaalsContact C-N 3.31Å; P131-S133 PolarHBondContact O-N 2.94Å; S133-V135 VanDerWaalsContact C-N 3.27Å; S133-V135 PolarHBondContact O-N 2.74Å; S133-K136 WeakPolarHBondContact O-CB 3.47Å; S133-K136 PolarHBondContact O-N 3.26Å; S133-K136 VanDerWaalsContact O-N 3.11Å
134	L	60.9	Low	67.5	Low	118 Å²	118	86.8 Å²	86.8	62%	0.618	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-33.9	-175.6	-152.2	76.6	0	0	0	112.6	K136 H137	L134-K136 PolarHBondContact O-N 3.11Å; L134-H137 PolarHBondContact O-N 3.41Å
135	V	65.8	Low	70	Confident	100 Å²	100	88.7 Å²	88.7	61%	0.606	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-62	-31.1	179	-169.6	0	0	0	0	112	S133 H137 I138	S133-V135 VanDerWaalsContact C-N 3.27Å; S133-V135 PolarHBondContact O-N 2.74Å; V135-H137 PolarHBondContact O-N 2.96Å; V135-H137 VanDerWaalsContact O-N 3.11Å; V135-I138 PolarHBondContact O-N 3.37Å; V135-I138 VanDerWaalsContact O-N 3.12Å
136	K	70.5	Confident	72.8	Confident	111 Å²	111	82.3 Å²	82.3	48%	0.483	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-63.7	-17.3	176.6	-61	176.6	-179.2	173.5	0	112.9	S133 L134 Y154	S133-K136 WeakPolarHBondContact O-CB 3.47Å; S133-K136 PolarHBondContact O-N 3.26Å; S133-K136 VanDerWaalsContact O-N 3.11Å; L134-K136 PolarHBondContact O-N 3.11Å; K136-Y154 HydrophobicContact CB-CE1 4.07Å; K136-Y154 HydrophobicContact CG-CE2 4.27Å; K136-Y154 WeakPolarHBondContact O-CD1 3.46Å; K136-Y154 WeakPolarHBondContact O-CE1 3.39Å
137	H	86.2	Confident	75.5	Confident	108 Å²	108	74.7 Å²	74.7	50%	0.5	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-100.1	2.8	179.2	-61.8	-69.9	0	0	0	114.1	L134 V135 S146	L134-H137 PolarHBondContact O-N 3.41Å; V135-H137 PolarHBondContact O-N 2.96Å; V135-H137 VanDerWaalsContact O-N 3.11Å; H137-S146 PolarHBondContact O-N 3.35Å
138	I	96.6	Very high	78.1	Confident	77 Å²	77	70.2 Å²	70.2	40%	0.395	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-115	138.5	-178.6	-58.6	177.1	0	0	0	110.3	V135 A140	V135-I138 PolarHBondContact O-N 3.37Å; V135-I138 VanDerWaalsContact O-N 3.12Å; I138-A140 PolarHBondContact O-N 3.47Å
139	C	98	Very high	81	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	42%	0.419	C	S	.	.			trans	-74.9	111.7	177.5	175.4	0	0	0	0	110.3	I141 C142 G143 D144 C156	C139-I141 PolarHBondContact O-N 3.17Å; C139-C142 PolarHBondContact O-N 3.18Å; C139-G143 PolarHBondContact O-N 3.04Å; C139-D144 HydrophobicContact CB-CB 4.49Å; C139-D144 WeakPolarHBondContact CB-O 3.48Å; C139-D144 PolarHBondContact N-O 3.01Å; C139-C156 HydrophobicContact CB-CB 4Å; C139-C156 PolarHBondContact SG-N 3.38Å; C139-C156 VanDerWaalsContact SG-SG 3.63Å
140	A	97.2	Very high	83.8	Confident	45 Å²	45	67 Å²	67	37%	0.372	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.9	-177.7	0	0	0	0	0	113.7	I138 V153 Y154 M202	I138-A140 PolarHBondContact O-N 3.47Å; A140-V153 HydrophobicContact CB-CG1 3.97Å; A140-Y154 PolarHBondContact N-O 3.39Å; A140-M202 HydrophobicContact CB-CB 4.45Å; A140-M202 HydrophobicContact CB-CG 4.28Å; A140-M202 HydrophobicContact CB-SD 4.05Å
141	I	98.1	Very high	86.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-40.8	-178.6	-64.8	70.7	0	0	0	111.8	C139 V153 C159 I183 R195 K198 C199 M202 M204	C139-I141 PolarHBondContact O-N 3.17Å; I141-V153 HydrophobicContact CD1-CG1 3.93Å; I141-C159 HydrophobicContact CB-CB 4.32Å; I141-C159 HydrophobicContact CG2-CB 4.4Å; I141-I183 HydrophobicContact CG2-CG2 4.07Å; I141-I183 WeakPolarHBondContact O-CG2 3.33Å; I141-R195 HydrophobicContact CG2-CG 4.47Å; I141-K198 HydrophobicContact CG2-CG 4.48Å; I141-K198 VanDerWaalsContact O-CD 3.25Å; I141-K198 WeakPolarHBondContact O-CD 3.4Å; I141-K198 WeakPolarHBondContact O-CE 3.2Å; I141-K198 PolarHBondContact O-NZ 3.15Å; I141-C199 HydrophobicContact CG1-CB 4.48Å; I141-M202 HydrophobicContact CD1-CB 4.12Å; I141-M202 HydrophobicContact CD1-CG 4.39Å; I141-M202 HydrophobicContact CG1-CB 4.43Å; I141-M202 HydrophobicContact CG1-CG 4.35Å; I141-M204 HydrophobicContact CD1-CE 3.92Å; I141-M204 HydrophobicContact CD1-SD 4.4Å
142	C	98.2	Very high	88.3	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.027	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	5.9	-168.9	67.3	0	0	0	0	116.1	C139 D144 C156 C159 I183 D184 K185 R188	C139-C142 PolarHBondContact O-N 3.18Å; C142-D144 PolarHBondContact O-N 3.15Å; C142-D144 VanDerWaalsContact O-N 3.13Å; C142-C156 VanDerWaalsContact SG-SG 3.68Å; C142-C159 VanDerWaalsContact SG-SG 3.66Å; C142-I183 HydrophobicContact CB-CG2 4.14Å; C142-D184 CarbonylContact O-C 3.31Å; C142-D184 VanDerWaalsContact O-C 3.31Å; C142-D184 WeakPolarHBondContact O-CA 3.31Å; C142-K185 PolarHBondContact O-N 3.48Å; C142-R188 HydrophobicContact CB-CB 4.21Å; C142-R188 PolarHBondContact SG-NH1 3.32Å
143	G	97.1	Very high	90.2	Very high	53 Å²	53	60.3 Å²	60.3	55%	0.546	34%	0.337	S	S	.	.	S	Bend	trans	71.9	-0.9	179.1	0	0	0	0	0	115.7	C139	C139-G143 PolarHBondContact O-N 3.04Å
144	D	97.4	Very high	92	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.112	34%	0.335	C	S	.	.	S	Bend	trans	-70.3	165	173.7	-162	7.3	0	0	0	111.8	C139 C142 S146 C156 K185 R188	C139-D144 HydrophobicContact CB-CB 4.49Å; C139-D144 WeakPolarHBondContact CB-O 3.48Å; C139-D144 PolarHBondContact N-O 3.01Å; C142-D144 PolarHBondContact O-N 3.15Å; C142-D144 VanDerWaalsContact O-N 3.13Å; D144-S146 PolarHBondContact O-N 3.28Å; D144-C156 HydrophobicContact CB-CB 4.16Å; D144-K185 HydrophobicContact CB-CB 4.29Å; D144-K185 HydrophobicContact CB-CD 4.13Å; D144-K185 HydrophobicContact CB-CG 4.12Å; D144-K185 WeakPolarHBondContact OD1-CD 3.16Å; D144-K185 WeakPolarHBondContact OD1-CE 3.15Å; D144-K185 IonicContact OD1-NZ 2.72Å; D144-K185 PolarHBondContact OD1-NZ 3.27Å; D144-R188 IonicContact OD2-CZ 3.47Å; D144-R188 IonicContact OD2-NH1 2.73Å; D144-R188 PolarHBondContact OD2-NH1 2.79Å; D144-R188 IonicContact OD2-NH2 3.3Å; D144-R188 PolarHBondContact OD2-NH2 3.03Å
145	R	97	Very high	93.8	Very high	207 Å²	207	56 Å²	56	78%	0.781	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-61.5	126.2	178.4	-171.3	177.6	-179.6	-172.2	0.7	110.3	C156	R145-C156 WeakPolarHBondContact O-CB 3.26Å
146	S	97	Very high	95.3	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74	139.9	175.2	-178.4	0	0	0	0	110.8	H137 D144 G148 S155	H137-S146 PolarHBondContact O-N 3.35Å; D144-S146 PolarHBondContact O-N 3.28Å; S146-G148 PolarHBondContact OG-N 2.67Å; S146-G148 VanDerWaalsContact OG-N 3.15Å; S146-G148 PolarHBondContact OG-O 3.27Å; S146-G148 VanDerWaalsContact OG-O 3.09Å; S146-S155 WeakPolarHBondContact CA-O 3.44Å; S146-S155 PolarHBondContact OG-N 3Å; S146-S155 PolarHBondContact OG-O 3.41Å
147	S	95.7	Very high	96.7	Very high	65 Å²	65	50.8 Å²	50.8	46%	0.455	28%	0.276	S	S	.	.			trans	-95.6	3.6	170	51.4	0	0	0	0	112.5	H150 S155 E157	S147-H150 PolarHBondContact OG-NE2 2.83Å; S147-S155 PolarHBondContact N-O 3.4Å; S147-S155 PolarHBondContact OG-O 2.95Å; S147-E157 WeakPolarHBondContact CB-OE1 3.37Å; S147-E157 PolarHBondContact OG-OE1 3.46Å
148	G	95.2	Very high	97.2	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	27%	0.265	S	S	.	.	S	Bend	trans	130.9	-167.9	-176.7	0	0	0	0	0	112.2	S146 Y154 S155	S146-G148 PolarHBondContact OG-N 2.67Å; S146-G148 VanDerWaalsContact OG-N 3.15Å; S146-G148 PolarHBondContact OG-O 3.27Å; S146-G148 VanDerWaalsContact OG-O 3.09Å; G148-Y154 WeakPolarHBondContact O-CA 3.43Å; G148-S155 PolarHBondContact O-N 2.85Å
149	K	96.3	Very high	97.3	Very high	134 Å²	134	43.2 Å²	43.2	58%	0.583	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.1	172.3	-69.3	-173.4	178	-175.2	0	109.9	V153 Y154	K149-V153 WeakPolarHBondContact CA-O 3.2Å; K149-Y154 HydrophobicContact CD-CE2 4.33Å; K149-Y154 HydrophobicContact CG-CD1 3.93Å; K149-Y154 HydrophobicContact CG-CD2 4.17Å; K149-Y154 HydrophobicContact CG-CE1 3.77Å; K149-Y154 HydrophobicContact CG-CE2 4.01Å; K149-Y154 HydrophobicContact CG-CG 4.13Å
150	H	97.5	Very high	97.3	Very high	31 Å²	31	45.8 Å²	45.8	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.8	169.4	-52.1	-74.8	0	0	0	108.3	S147 G152 V153 S155 E157 K160	S147-H150 PolarHBondContact OG-NE2 2.83Å; H150-G152 PolarHBondContact O-N 3.47Å; H150-G152 VanDerWaalsContact O-N 3.17Å; H150-V153 PolarHBondContact N-O 3.02Å; H150-V153 PolarHBondContact O-N 2.75Å; H150-S155 PolarHBondContact CD2-O 3.12Å; H150-S155 PolarHBondContact CD2-OG 3.34Å; H150-E157 IonicContact CE1-OE1 3.56Å; H150-E157 IonicContact NE2-OE1 3.45Å; H150-E157 PolarHBondContact NE2-OE1 2.98Å; H150-K160 HydrophobicContact CB-CB 3.98Å; H150-K160 HydrophobicContact CB-CD 4.37Å; H150-K160 HydrophobicContact CB-CG 3.83Å; H150-K160 PolarHBondContact CE1-NZ 2.83Å; H150-K160 WeakPolarHBondContact ND1-CD 3.29Å; H150-K160 WeakPolarHBondContact ND1-CE 3.47Å
151	Y	97.4	Very high	97.4	Very high	39 Å²	39	44.4 Å²	44.4	15%	0.153	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	34.3	-178.3	-42.8	-58.9	0	0	0	113.7	K160 F163 K164 M204 K205 A208 V209	Y151-K160 HydrophobicContact CE2-CB 4.48Å; Y151-K160 HydrophobicContact CE2-CG 4Å; Y151-F163 HydrophobicContact CD2-CB 4.32Å; Y151-F163 AromaticContact CD2-CD1 3.53Å; Y151-F163 HydrophobicContact CD2-CD1 3.53Å; Y151-F163 HydrophobicContact CD2-CE1 4.26Å; Y151-F163 HydrophobicContact CD2-CG 4.26Å; Y151-F163 HydrophobicContact CE2-CB 4.43Å; Y151-F163 HydrophobicContact CE2-CD1 4.05Å; Y151-F163 AromaticContact CG-CD1 3.87Å; Y151-F163 HydrophobicContact CG-CD1 3.87Å; Y151-F163 HydrophobicContact CG-CE1 4.15Å; Y151-K164 HydrophobicContact CE2-CB 4.45Å; Y151-K164 WeakPolarHBondContact OH-CB 3.31Å; Y151-K164 WeakPolarHBondContact OH-CG 3.35Å; Y151-M204 WeakPolarHBondContact O-CA 3.42Å; Y151-K205 PolarHBondContact O-N 2.93Å; Y151-A208 HydrophobicContact CD1-CB 3.94Å; Y151-A208 WeakPolarHBondContact CD1-O 3.48Å; Y151-V209 HydrophobicContact CD1-CG2 3.73Å; Y151-V209 HydrophobicContact CE1-CB 4.32Å; Y151-V209 HydrophobicContact CE1-CG2 3.66Å; Y151-V209 HydrophobicContact CE2-CG2 4.5Å; Y151-V209 HydrophobicContact CG-CG2 4.21Å
152	G	96.1	Very high	97.4	Very high	49 Å²	49	44.8 Å²	44.8	51%	0.505	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	-22.4	-178.3	0	0	0	0	0	115.4	H150	H150-G152 PolarHBondContact O-N 3.47Å; H150-G152 VanDerWaalsContact O-N 3.17Å
153	V	96.8	Very high	97.4	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.8	-165.8	-170.2	0	0	0	0	112.6	A140 I141 K149 H150 S155 M202 G203 M204	A140-V153 HydrophobicContact CB-CG1 3.97Å; I141-V153 HydrophobicContact CD1-CG1 3.93Å; K149-V153 WeakPolarHBondContact CA-O 3.2Å; H150-V153 PolarHBondContact N-O 3.02Å; H150-V153 PolarHBondContact O-N 2.75Å; V153-S155 PolarHBondContact O-N 2.75Å; V153-S155 VanDerWaalsContact O-N 3.13Å; V153-S155 PolarHBondContact O-OG 2.67Å; V153-M202 HydrophobicContact CG1-CB 4.19Å; V153-M202 WeakPolarHBondContact CG2-O 3.34Å; V153-G203 WeakPolarHBondContact CG2-O 3.37Å; V153-M204 HydrophobicContact CB-CE 4.44Å; V153-M204 HydrophobicContact CB-CG 4Å; V153-M204 HydrophobicContact CG2-CB 4.36Å; V153-M204 HydrophobicContact CG2-CG 3.7Å
154	Y	97.7	Very high	97.4	Very high	79 Å²	79	46.2 Å²	46.2	31%	0.31	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	114	169.5	-74.3	-75.9	0	0	0	110.6	K136 A140 G148 K149	K136-Y154 HydrophobicContact CB-CE1 4.07Å; K136-Y154 HydrophobicContact CG-CE2 4.27Å; K136-Y154 WeakPolarHBondContact O-CD1 3.46Å; K136-Y154 WeakPolarHBondContact O-CE1 3.39Å; A140-Y154 PolarHBondContact N-O 3.39Å; G148-Y154 WeakPolarHBondContact O-CA 3.43Å; K149-Y154 HydrophobicContact CD-CE2 4.33Å; K149-Y154 HydrophobicContact CG-CD1 3.93Å; K149-Y154 HydrophobicContact CG-CD2 4.17Å; K149-Y154 HydrophobicContact CG-CE1 3.77Å; K149-Y154 HydrophobicContact CG-CE2 4.01Å; K149-Y154 HydrophobicContact CG-CG 4.13Å
155	S	97.9	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.			trans	-149.5	159.7	-172.6	54.5	0	0	0	0	112.9	S146 S147 G148 H150 V153 M204	S146-S155 WeakPolarHBondContact CA-O 3.44Å; S146-S155 PolarHBondContact OG-N 3Å; S146-S155 PolarHBondContact OG-O 3.41Å; S147-S155 PolarHBondContact N-O 3.4Å; S147-S155 PolarHBondContact OG-O 2.95Å; G148-S155 PolarHBondContact O-N 2.85Å; H150-S155 PolarHBondContact CD2-O 3.12Å; H150-S155 PolarHBondContact CD2-OG 3.34Å; V153-S155 PolarHBondContact O-N 2.75Å; V153-S155 VanDerWaalsContact O-N 3.13Å; V153-S155 PolarHBondContact O-OG 2.67Å; S155-M204 WeakPolarHBondContact OG-CE 3.29Å
156	C	98.4	Very high	97.4	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.02	22%	0.224	C	C	.	.			trans	-84.7	159.2	173.5	67.6	0	0	0	0	110.9	C139 C142 D144 R145 G158 C159 K160 R188	C139-C156 HydrophobicContact CB-CB 4Å; C139-C156 PolarHBondContact SG-N 3.38Å; C139-C156 VanDerWaalsContact SG-SG 3.63Å; C142-C156 VanDerWaalsContact SG-SG 3.68Å; D144-C156 HydrophobicContact CB-CB 4.16Å; R145-C156 WeakPolarHBondContact O-CB 3.26Å; C156-G158 PolarHBondContact O-N 3.05Å; C156-G158 VanDerWaalsContact O-N 3.07Å; C156-C159 PolarHBondContact O-N 3.48Å; C156-C159 PolarHBondContact SG-N 3Å; C156-K160 PolarHBondContact O-N 2.63Å; C156-R188 PolarHBondContact SG-NH1 2.93Å
157	E	98	Very high	97.3	Very high	99 Å²	99	42.5 Å²	42.5	46%	0.463	22%	0.224	S	C	.	.	H	α-helix	trans	-52.3	-32.8	175.3	-66.8	-58.4	120.7	0	0	113	S147 H150 K160 G161	S147-E157 WeakPolarHBondContact CB-OE1 3.37Å; S147-E157 PolarHBondContact OG-OE1 3.46Å; H150-E157 IonicContact CE1-OE1 3.56Å; H150-E157 IonicContact NE2-OE1 3.45Å; H150-E157 PolarHBondContact NE2-OE1 2.98Å; E157-K160 WeakPolarHBondContact OE1-CD 3.41Å; E157-K160 IonicContact OE1-NZ 3.4Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 WeakPolarHBondContact OE2-CD 3.32Å; E157-K160 WeakPolarHBondContact OE2-CE 3.38Å; E157-K160 IonicContact OE2-NZ 3.21Å; E157-K160 PolarHBondContact OE2-NZ 2.95Å; E157-G161 PolarHBondContact O-N 3.46Å
158	G	98.1	Very high	97.2	Very high	26 Å²	26	43.2 Å²	43.2	27%	0.268	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-38.6	176.4	0	0	0	0	0	114.1	C156 F162 R195	C156-G158 PolarHBondContact O-N 3.05Å; C156-G158 VanDerWaalsContact O-N 3.07Å; G158-F162 VanDerWaalsContact O-CB 3.29Å; G158-F162 WeakPolarHBondContact O-CB 3.17Å; G158-F162 PolarHBondContact O-N 2.84Å; G158-R195 PolarHBondContact O-NH2 3.13Å
159	C	98.6	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-83.1	-38.7	177.9	-69.4	0	0	0	0	111.9	I141 C142 C156 F162 F163	I141-C159 HydrophobicContact CB-CB 4.32Å; I141-C159 HydrophobicContact CG2-CB 4.4Å; C142-C159 VanDerWaalsContact SG-SG 3.66Å; C156-C159 PolarHBondContact O-N 3.48Å; C156-C159 PolarHBondContact SG-N 3Å; C159-F162 PolarHBondContact O-N 2.86Å; C159-F163 WeakPolarHBondContact O-CB 3.29Å; C159-F163 PolarHBondContact O-N 3.42Å
160	K	98.1	Very high	96.9	Very high	56 Å²	56	47.5 Å²	47.5	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-51.4	-55.6	167.8	172.5	-159.9	-168.9	179.6	0	111.6	H150 Y151 C156 E157 F162 F163 K164	H150-K160 HydrophobicContact CB-CB 3.98Å; H150-K160 HydrophobicContact CB-CD 4.37Å; H150-K160 HydrophobicContact CB-CG 3.83Å; H150-K160 PolarHBondContact CE1-NZ 2.83Å; H150-K160 WeakPolarHBondContact ND1-CD 3.29Å; H150-K160 WeakPolarHBondContact ND1-CE 3.47Å; Y151-K160 HydrophobicContact CE2-CB 4.48Å; Y151-K160 HydrophobicContact CE2-CG 4Å; C156-K160 PolarHBondContact O-N 2.63Å; E157-K160 WeakPolarHBondContact OE1-CD 3.41Å; E157-K160 IonicContact OE1-NZ 3.4Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 WeakPolarHBondContact OE2-CD 3.32Å; E157-K160 WeakPolarHBondContact OE2-CE 3.38Å; E157-K160 IonicContact OE2-NZ 3.21Å; E157-K160 PolarHBondContact OE2-NZ 2.95Å; K160-F162 VanDerWaalsContact C-N 3.33Å; K160-F162 PolarHBondContact O-N 3.16Å; K160-F163 PolarHBondContact O-N 2.86Å; K160-K164 WeakPolarHBondContact O-CB 3.36Å; K160-K164 PolarHBondContact O-N 2.99Å
161	G	97.8	Very high	96.8	Very high	16 Å²	16	49.3 Å²	49.3	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-34.7	-179	0	0	0	0	0	113.4	E157 R165	E157-G161 PolarHBondContact O-N 3.46Å; G161-R165 WeakPolarHBondContact O-CG 3.37Å; G161-R165 PolarHBondContact O-N 3.15Å; G161-R165 VanDerWaalsContact O-N 3.15Å; G161-R165 PolarHBondContact O-NH1 3.01Å
162	F	98.6	Very high	96.7	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-52	173.9	169.8	-100.6	0	0	0	112	G158 C159 K160 K164 R165 T166 Y173 Q192 R195 Y196	G158-F162 VanDerWaalsContact O-CB 3.29Å; G158-F162 WeakPolarHBondContact O-CB 3.17Å; G158-F162 PolarHBondContact O-N 2.84Å; C159-F162 PolarHBondContact O-N 2.86Å; K160-F162 VanDerWaalsContact C-N 3.33Å; K160-F162 PolarHBondContact O-N 3.16Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 3.41Å; F162-R165 PolarHBondContact O-N 3.43Å; F162-T166 PolarHBondContact O-N 2.79Å; F162-T166 PolarHBondContact O-OG1 3.16Å; F162-Y173 AromaticContact CE2-CE2 3.75Å; F162-Y173 HydrophobicContact CE2-CE2 3.75Å; F162-Y173 HydrophobicContact CZ-CD2 4.25Å; F162-Y173 AromaticContact CZ-CE2 3.56Å; F162-Y173 HydrophobicContact CZ-CE2 3.56Å; F162-Q192 HydrophobicContact CE2-CB 4.07Å; F162-Q192 HydrophobicContact CE2-CG 4.1Å; F162-Q192 HydrophobicContact CZ-CB 4.25Å; F162-Q192 WeakPolarHBondContact CZ-O 3.38Å; F162-R195 VanDerWaalsContact CD1-CD 3.47Å; F162-R195 HydrophobicContact CD1-CG 3.96Å; F162-R195 HydrophobicContact CE1-CB 4.02Å; F162-R195 HydrophobicContact CE1-CG 3.76Å; F162-R195 HydrophobicContact CZ-CB 4.18Å; F162-R195 HydrophobicContact CZ-CG 4.29Å; F162-Y196 HydrophobicContact CE1-CD2 4.43Å
163	F	98.4	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-46.3	177.5	-167.4	-98.1	0	0	0	110.8	Y151 C159 K160 R165 T166 I167 Y196 C199 L200 M204 K205 V209	Y151-F163 HydrophobicContact CD2-CB 4.32Å; Y151-F163 AromaticContact CD2-CD1 3.53Å; Y151-F163 HydrophobicContact CD2-CD1 3.53Å; Y151-F163 HydrophobicContact CD2-CE1 4.26Å; Y151-F163 HydrophobicContact CD2-CG 4.26Å; Y151-F163 HydrophobicContact CE2-CB 4.43Å; Y151-F163 HydrophobicContact CE2-CD1 4.05Å; Y151-F163 AromaticContact CG-CD1 3.87Å; Y151-F163 HydrophobicContact CG-CD1 3.87Å; Y151-F163 HydrophobicContact CG-CE1 4.15Å; C159-F163 WeakPolarHBondContact O-CB 3.29Å; C159-F163 PolarHBondContact O-N 3.42Å; K160-F163 PolarHBondContact O-N 2.86Å; F163-R165 VanDerWaalsContact C-N 3.33Å; F163-R165 PolarHBondContact O-N 3.04Å; F163-T166 PolarHBondContact O-N 3.23Å; F163-T166 VanDerWaalsContact O-N 3.16Å; F163-I167 HydrophobicContact CD1-CG1 4.1Å; F163-I167 HydrophobicContact CE1-CD1 4.46Å; F163-I167 HydrophobicContact CE1-CG1 3.83Å; F163-I167 HydrophobicContact CZ-CD1 4.2Å; F163-I167 HydrophobicContact CZ-CG1 4.07Å; F163-I167 WeakPolarHBondContact O-CG1 3.49Å; F163-I167 PolarHBondContact O-N 2.92Å; F163-Y196 HydrophobicContact CD2-CD2 4.02Å; F163-Y196 AromaticContact CD2-CE2 3.83Å; F163-Y196 HydrophobicContact CD2-CE2 3.83Å; F163-Y196 HydrophobicContact CE2-CD2 4.2Å; F163-Y196 AromaticContact CE2-CE2 3.64Å; F163-Y196 HydrophobicContact CE2-CE2 3.64Å; F163-C199 HydrophobicContact CD2-CB 3.63Å; F163-C199 HydrophobicContact CE2-CB 4.05Å; F163-L200 HydrophobicContact CE2-CD2 3.92Å; F163-L200 HydrophobicContact CZ-CD2 4.27Å; F163-M204 HydrophobicContact CB-SD 3.9Å; F163-M204 HydrophobicContact CD1-CB 4.37Å; F163-M204 HydrophobicContact CD1-SD 4.38Å; F163-M204 HydrophobicContact CD2-CB 3.94Å; F163-M204 HydrophobicContact CD2-SD 3.89Å; F163-M204 HydrophobicContact CE1-CB 4.07Å; F163-M204 HydrophobicContact CE2-CB 3.59Å; F163-M204 HydrophobicContact CG-CB 4.31Å; F163-M204 HydrophobicContact CG-SD 3.8Å; F163-M204 HydrophobicContact CZ-CB 3.67Å; F163-M204 WeakPolarHBondContact CZ-O 3.47Å; F163-K205 WeakPolarHBondContact CE1-O 3.45Å; F163-V209 HydrophobicContact CD1-CG2 3.71Å; F163-V209 HydrophobicContact CE1-CG2 3.66Å
164	K	97.1	Very high	96.7	Very high	87 Å²	87	59.5 Å²	59.5	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-53.5	-44.9	176.7	-163.5	-178.1	78.8	161.6	0	113.3	Y151 K160 F162 R168 V209	Y151-K164 HydrophobicContact CE2-CB 4.45Å; Y151-K164 WeakPolarHBondContact OH-CB 3.31Å; Y151-K164 WeakPolarHBondContact OH-CG 3.35Å; K160-K164 WeakPolarHBondContact O-CB 3.36Å; K160-K164 PolarHBondContact O-N 2.99Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 3.41Å; K164-R168 VanDerWaalsContact CG-NH1 3.27Å; K164-R168 WeakPolarHBondContact O-CB 3.23Å; K164-R168 PolarHBondContact O-N 3.44Å; K164-R168 VanDerWaalsContact O-N 3.08Å; K164-V209 HydrophobicContact CG-CG1 4.2Å
165	R	96.7	Very high	96.7	Very high	141 Å²	141	56.5 Å²	56.5	53%	0.532	28%	0.279	S	S	.	.	H	α-helix	trans	-72.8	-38.4	179.1	-74	-173.7	-59	-93	1.5	112.5	G161 F162 F163 K169	G161-R165 WeakPolarHBondContact O-CG 3.37Å; G161-R165 PolarHBondContact O-N 3.15Å; G161-R165 VanDerWaalsContact O-N 3.15Å; G161-R165 PolarHBondContact O-NH1 3.01Å; F162-R165 PolarHBondContact O-N 3.43Å; F163-R165 VanDerWaalsContact C-N 3.33Å; F163-R165 PolarHBondContact O-N 3.04Å; R165-K169 PolarHBondContact O-N 3.04Å
166	T	97.3	Very high	96.7	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-48.1	177.6	-51	0	0	0	0	110.3	F162 F163 D170 L171 Y173 Y196	F162-T166 PolarHBondContact O-N 2.79Å; F162-T166 PolarHBondContact O-OG1 3.16Å; F163-T166 PolarHBondContact O-N 3.23Å; F163-T166 VanDerWaalsContact O-N 3.16Å; T166-D170 CarbonylContact O-C 3.59Å; T166-D170 WeakPolarHBondContact O-CA 3.38Å; T166-D170 PolarHBondContact O-N 3.17Å; T166-L171 HydrophobicContact CG2-CB 4.37Å; T166-L171 PolarHBondContact O-N 3.26Å; T166-Y173 HydrophobicContact CG2-CD2 4.31Å; T166-Y173 HydrophobicContact CG2-CE2 3.54Å; T166-Y173 PolarHBondContact OG1-OH 3.44Å; T166-Y196 HydrophobicContact CG2-CD1 4.34Å; T166-Y196 HydrophobicContact CG2-CD2 3.65Å; T166-Y196 HydrophobicContact CG2-CE1 4.34Å; T166-Y196 HydrophobicContact CG2-CE2 3.67Å; T166-Y196 HydrophobicContact CG2-CG 4.01Å
167	I	96	Very high	96.5	Very high	18 Å²	18	72.5 Å²	72.5	9%	0.092	35%	0.346	C	S	.	.	H	α-helix	trans	-71.2	-45.7	179.7	-57.3	-54	0	0	0	112.4	F163 K169 D170 Y196 R206 V209	F163-I167 HydrophobicContact CD1-CG1 4.1Å; F163-I167 HydrophobicContact CE1-CD1 4.46Å; F163-I167 HydrophobicContact CE1-CG1 3.83Å; F163-I167 HydrophobicContact CZ-CD1 4.2Å; F163-I167 HydrophobicContact CZ-CG1 4.07Å; F163-I167 WeakPolarHBondContact O-CG1 3.49Å; F163-I167 PolarHBondContact O-N 2.92Å; I167-K169 VanDerWaalsContact C-N 3.29Å; I167-K169 PolarHBondContact O-N 3.46Å; I167-D170 PolarHBondContact O-N 3.04Å; I167-Y196 HydrophobicContact CD1-CE2 3.97Å; I167-Y196 VanDerWaalsContact CD1-OH 3.28Å; I167-Y196 WeakPolarHBondContact CD1-OH 3.34Å; I167-R206 HydrophobicContact CD1-CB 4.13Å; I167-R206 HydrophobicContact CD1-CG 3.99Å; I167-R206 HydrophobicContact CG2-CG 4Å; I167-V209 HydrophobicContact CB-CB 4.14Å; I167-V209 HydrophobicContact CB-CG1 4.09Å; I167-V209 HydrophobicContact CB-CG2 4.04Å; I167-V209 HydrophobicContact CG1-CG2 3.95Å; I167-V209 HydrophobicContact CG2-CB 3.85Å; I167-V209 HydrophobicContact CG2-CG1 4.04Å; I167-V209 HydrophobicContact CG2-CG2 4.18Å
168	R	92.9	Very high	96.4	Very high	81 Å²	81	74.6 Å²	74.6	31%	0.306	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-30.1	-178.1	-90.3	179.7	169.5	55.8	5.1	114.9	K164 V209 Q210 E211	K164-R168 VanDerWaalsContact CG-NH1 3.27Å; K164-R168 WeakPolarHBondContact O-CB 3.23Å; K164-R168 PolarHBondContact O-N 3.44Å; K164-R168 VanDerWaalsContact O-N 3.08Å; R168-V209 HydrophobicContact CG-CG1 4.44Å; R168-Q210 PolarHBondContact NH1-O 3.44Å; R168-Q210 PolarHBondContact NH2-O 2.9Å; R168-E211 PolarHBondContact NH2-O 3.33Å
169	K	92.6	Very high	96.4	Very high	157 Å²	157	79.9 Å²	79.9	68%	0.683	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	15.1	-178.3	-65.6	-168	171.5	-151.9	0	112.2	R165 I167 L171	R165-K169 PolarHBondContact O-N 3.04Å; I167-K169 VanDerWaalsContact C-N 3.29Å; I167-K169 PolarHBondContact O-N 3.46Å; K169-L171 HydrophobicContact CB-CD1 4.15Å; K169-L171 HydrophobicContact CB-CD2 3.89Å; K169-L171 HydrophobicContact CB-CG 3.71Å; K169-L171 WeakPolarHBondContact O-CD2 3.34Å; K169-L171 PolarHBondContact O-N 2.86Å
170	D	92	Very high	96.3	Very high	93 Å²	93	85.2 Å²	85.2	50%	0.497	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	33.9	48.2	-172.2	-145.4	50.3	0	0	0	114.9	T166 I167 I172 R206	T166-D170 CarbonylContact O-C 3.59Å; T166-D170 WeakPolarHBondContact O-CA 3.38Å; T166-D170 PolarHBondContact O-N 3.17Å; I167-D170 PolarHBondContact O-N 3.04Å; D170-I172 PolarHBondContact O-N 3.32Å; D170-R206 IonicContact OD1-CZ 2.68Å; D170-R206 VanDerWaalsContact OD1-CZ 3.26Å; D170-R206 IonicContact OD1-NH1 2.83Å; D170-R206 PolarHBondContact OD1-NH1 2.94Å; D170-R206 IonicContact OD1-NH2 2.66Å; D170-R206 PolarHBondContact OD1-NH2 3.46Å
171	L	96.1	Very high	96.3	Very high	68 Å²	68	83.5 Å²	83.5	36%	0.356	40%	0.399	S	S	.	.			trans	-74.6	116.7	-169.6	-62.2	174.1	0	0	0	111.3	T166 K169 Y173	T166-L171 HydrophobicContact CG2-CB 4.37Å; T166-L171 PolarHBondContact O-N 3.26Å; K169-L171 HydrophobicContact CB-CD1 4.15Å; K169-L171 HydrophobicContact CB-CD2 3.89Å; K169-L171 HydrophobicContact CB-CG 3.71Å; K169-L171 WeakPolarHBondContact O-CD2 3.34Å; K169-L171 PolarHBondContact O-N 2.86Å; L171-Y173 HydrophobicContact CB-CE1 3.82Å; L171-Y173 HydrophobicContact CD1-CE1 4.25Å; L171-Y173 WeakPolarHBondContact CD1-OH 3.32Å
172	I	94.5	Very high	96.2	Very high	155 Å²	155	89 Å²	89	80%	0.795	42%	0.424	S	S	*	.			trans	-83.8	131.2	168.2	-55.5	178	0	0	0	108.5	D170	D170-I172 PolarHBondContact O-N 3.32Å
173	Y	97.2	Very high	96.2	Very high	35 Å²	35	89.3 Å²	89.3	14%	0.137	43%	0.426	C	S	.	.			trans	-115.9	148.5	177.3	-58.5	-50.8	0	0	0	110.7	F162 T166 L171 Q192 Y193	F162-Y173 AromaticContact CE2-CE2 3.75Å; F162-Y173 HydrophobicContact CE2-CE2 3.75Å; F162-Y173 HydrophobicContact CZ-CD2 4.25Å; F162-Y173 AromaticContact CZ-CE2 3.56Å; F162-Y173 HydrophobicContact CZ-CE2 3.56Å; T166-Y173 HydrophobicContact CG2-CD2 4.31Å; T166-Y173 HydrophobicContact CG2-CE2 3.54Å; T166-Y173 PolarHBondContact OG1-OH 3.44Å; L171-Y173 HydrophobicContact CB-CE1 3.82Å; L171-Y173 HydrophobicContact CD1-CE1 4.25Å; L171-Y173 WeakPolarHBondContact CD1-OH 3.32Å; Y173-Q192 HydrophobicContact CD1-CB 3.82Å; Y173-Q192 HydrophobicContact CD2-CB 3.77Å; Y173-Q192 HydrophobicContact CE1-CB 4.05Å; Y173-Q192 HydrophobicContact CE1-CG 4.48Å; Y173-Q192 HydrophobicContact CE2-CB 3.97Å; Y173-Q192 HydrophobicContact CG-CB 3.69Å; Y173-Y193 VanDerWaalsContact O-CD2 3.22Å; Y173-Y193 WeakPolarHBondContact O-CD2 3.25Å
174	T	96.9	Very high	96.2	Very high	125 Å²	125	92 Å²	92	77%	0.767	44%	0.44	S	S	*	.			trans	-114.8	136.2	173	-54.6	0	0	0	0	109.5
175	C	97.8	Very high	96.2	Very high	16 Å²	16	93.8 Å²	93.8	11%	0.108	45%	0.448	C	S	.	.			trans	-81.4	138.3	170	-170.8	0	0	0	0	109.6	D177 K179 Y193	C175-D177 PolarHBondContact SG-N 2.69Å; C175-D177 VanDerWaalsContact SG-N 3.37Å; C175-D177 PolarHBondContact SG-O 3Å; C175-K179 HydrophobicContact CB-CG 3.86Å; C175-Y193 HydrophobicContact CB-CD1 3.64Å; C175-Y193 HydrophobicContact CB-CE1 4.36Å; C175-Y193 HydrophobicContact CB-CG 3.98Å
176	R	96.6	Very high	96.2	Very high	246 Å²	246	98.6 Å²	98.6	93%	0.928	47%	0.466	S	S	*	.	S	Bend	trans	-90.3	-14	173.8	-65.6	-176.7	176.4	-177	-2.8	113.3
177	D	94.7	Very high	96.2	Very high	94 Å²	94	102.3 Å²	102.3	50%	0.503	48%	0.483	S	S	.	.	S	Bend	trans	-111.7	-164.2	177.7	-38.8	-51.7	0	0	0	110.5	C175 K179 C181	C175-D177 PolarHBondContact SG-N 2.69Å; C175-D177 VanDerWaalsContact SG-N 3.37Å; C175-D177 PolarHBondContact SG-O 3Å; D177-K179 PolarHBondContact O-N 3.07Å; D177-C181 PolarHBondContact OD2-SG 2.97Å
178	N	96.4	Very high	96.2	Very high	142 Å²	142	103.4 Å²	103.4	76%	0.759	49%	0.487	S	S	*	.	S	Bend	trans	-77.3	23.7	-172.9	-59.7	-31.3	0	0	0	115.8	D180	N178-D180 PolarHBondContact O-N 3.23Å
179	K	97	Very high	96.5	Very high	138 Å²	138	105.3 Å²	105.3	60%	0.6	50%	0.503	S	S	*	.	S	Bend	trans	62.3	17.6	-178.4	-60.9	176.9	176.9	173.5	0	115.3	C175 D177 Y193 C194	C175-K179 HydrophobicContact CB-CG 3.86Å; D177-K179 PolarHBondContact O-N 3.07Å; K179-Y193 HydrophobicContact CB-CD1 4.44Å; K179-Y193 HydrophobicContact CB-CE1 3.84Å; K179-Y193 HydrophobicContact CD-CE1 3.79Å; K179-Y193 HydrophobicContact CG-CD1 4.16Å; K179-Y193 HydrophobicContact CG-CE1 3.56Å; K179-C194 PolarHBondContact O-SG 3.46Å
180	D	97.1	Very high	96.7	Very high	112 Å²	112	107.6 Å²	107.6	60%	0.599	51%	0.507	S	S	*	.			trans	-114	0.7	-174.4	60.2	-14.5	0	0	0	114	N178 L182	N178-D180 PolarHBondContact O-N 3.23Å; D180-L182 PolarHBondContact O-N 3.25Å
181	C	97.6	Very high	97	Very high	20 Å²	20	103.6 Å²	103.6	14%	0.135	49%	0.487	C	S	.	.			trans	-47	125.7	-174.2	-40.9	0	0	0	0	113.7	D177 I183 C191 C194	D177-C181 PolarHBondContact OD2-SG 2.97Å; C181-I183 WeakPolarHBondContact O-CD1 3.44Å; C181-I183 WeakPolarHBondContact O-CG1 3.45Å; C181-I183 PolarHBondContact O-N 3.18Å; C181-C191 HydrophobicContact CB-CB 3.82Å; C181-C194 HydrophobicContact CB-CB 3.9Å; C181-C194 PolarHBondContact SG-SG 3.35Å
182	L	97	Very high	97.1	Very high	131 Å²	131	105.2 Å²	105.2	69%	0.686	49%	0.492	S	S	*	.			trans	-61.5	130.6	-179.8	-65	175.2	0	0	0	112.5	D180 Q187	D180-L182 PolarHBondContact O-N 3.25Å; L182-Q187 WeakPolarHBondContact O-CG 3.42Å
183	I	98.2	Very high	97.3	Very high	15 Å²	15	100.2 Å²	100.2	8%	0.077	46%	0.464	C	S	.	.			trans	-113	97.5	-179.9	-50.4	-59.8	0	0	0	110.3	I141 C142 C181 R188 C194 R195 K198	I141-I183 HydrophobicContact CG2-CG2 4.07Å; I141-I183 WeakPolarHBondContact O-CG2 3.33Å; C142-I183 HydrophobicContact CB-CG2 4.14Å; C181-I183 WeakPolarHBondContact O-CD1 3.44Å; C181-I183 WeakPolarHBondContact O-CG1 3.45Å; C181-I183 PolarHBondContact O-N 3.18Å; I183-R188 HydrophobicContact CG2-CB 3.94Å; I183-C194 HydrophobicContact CD1-CB 4.02Å; I183-C194 HydrophobicContact CG1-CB 4.46Å; I183-R195 HydrophobicContact CD1-CB 3.98Å; I183-R195 HydrophobicContact CG2-CG 4.23Å; I183-K198 HydrophobicContact CB-CD 3.71Å; I183-K198 HydrophobicContact CG1-CB 4.5Å; I183-K198 HydrophobicContact CG1-CD 4Å; I183-K198 HydrophobicContact CG2-CD 4.2Å; I183-K198 PolarHBondContact O-NZ 2.95Å; I183-K198 VanDerWaalsContact O-NZ 3.09Å
184	D	97.6	Very high	97.3	Very high	55 Å²	55	98.9 Å²	98.9	29%	0.294	46%	0.46	S	S	.	.			trans	-124.5	177.2	174.2	69.6	52.6	0	0	0	112.3	C142 R186 Q187 R188	C142-D184 CarbonylContact O-C 3.31Å; C142-D184 VanDerWaalsContact O-C 3.31Å; C142-D184 WeakPolarHBondContact O-CA 3.31Å; D184-R186 VanDerWaalsContact C-N 3.27Å; D184-R186 PolarHBondContact O-N 3.2Å; D184-R186 WeakPolarHBondContact OD1-CA 3.3Å; D184-R186 WeakPolarHBondContact OD1-CB 3.34Å; D184-R186 PolarHBondContact OD1-N 2.95Å; D184-Q187 PolarHBondContact O-N 2.83Å; D184-Q187 PolarHBondContact OD1-N 3.48Å; D184-Q187 WeakPolarHBondContact OD2-CG 3.48Å; D184-Q187 PolarHBondContact OD2-NE2 3.01Å; D184-R188 WeakPolarHBondContact O-CB 3.35Å; D184-R188 WeakPolarHBondContact O-CG 3.09Å; D184-R188 PolarHBondContact O-N 3.05Å
185	K	97.3	Very high	97.4	Very high	125 Å²	125	93.5 Å²	93.5	54%	0.543	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.6	-178	178.1	172.2	179.6	150.9	0	113.8	C142 D144	C142-K185 PolarHBondContact O-N 3.48Å; D144-K185 HydrophobicContact CB-CB 4.29Å; D144-K185 HydrophobicContact CB-CD 4.13Å; D144-K185 HydrophobicContact CB-CG 4.12Å; D144-K185 WeakPolarHBondContact OD1-CD 3.16Å; D144-K185 WeakPolarHBondContact OD1-CE 3.15Å; D144-K185 IonicContact OD1-NZ 2.72Å; D144-K185 PolarHBondContact OD1-NZ 3.27Å
186	R	97.1	Very high	97.5	Very high	242 Å²	242	94.2 Å²	94.2	91%	0.913	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-45	-176.5	-61.2	-177.4	178	-165.6	-0.5	111.2	D184	D184-R186 VanDerWaalsContact C-N 3.27Å; D184-R186 PolarHBondContact O-N 3.2Å; D184-R186 WeakPolarHBondContact OD1-CA 3.3Å; D184-R186 WeakPolarHBondContact OD1-CB 3.34Å; D184-R186 PolarHBondContact OD1-N 2.95Å
187	Q	96.5	Very high	97.5	Very high	80 Å²	80	85.8 Å²	85.8	37%	0.374	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	7.8	-171.1	76.9	-170	-44.5	0	0	116.3	L182 D184 N189 R190	L182-Q187 WeakPolarHBondContact O-CG 3.42Å; D184-Q187 PolarHBondContact O-N 2.83Å; D184-Q187 PolarHBondContact OD1-N 3.48Å; D184-Q187 WeakPolarHBondContact OD2-CG 3.48Å; D184-Q187 PolarHBondContact OD2-NE2 3.01Å; Q187-N189 PolarHBondContact O-N 2.94Å; Q187-R190 HydrophobicContact CB-CB 4.49Å; Q187-R190 VanDerWaalsContact O-CB 3.25Å; Q187-R190 WeakPolarHBondContact O-CB 3.48Å; Q187-R190 PolarHBondContact O-N 2.72Å
188	R	97.7	Very high	97.7	Very high	42 Å²	42	84.6 Å²	84.6	16%	0.158	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-13.4	173.6	60.8	-178.7	-173.8	-152.5	-3.9	116.1	C142 D144 C156 I183 D184 R195	C142-R188 HydrophobicContact CB-CB 4.21Å; C142-R188 PolarHBondContact SG-NH1 3.32Å; D144-R188 IonicContact OD2-CZ 3.47Å; D144-R188 IonicContact OD2-NH1 2.73Å; D144-R188 PolarHBondContact OD2-NH1 2.79Å; D144-R188 IonicContact OD2-NH2 3.3Å; D144-R188 PolarHBondContact OD2-NH2 3.03Å; C156-R188 PolarHBondContact SG-NH1 2.93Å; I183-R188 HydrophobicContact CG2-CB 3.94Å; D184-R188 WeakPolarHBondContact O-CB 3.35Å; D184-R188 WeakPolarHBondContact O-CG 3.09Å; D184-R188 PolarHBondContact O-N 3.05Å; R188-R195 VanDerWaalsContact O-CD 3.29Å; R188-R195 WeakPolarHBondContact O-CD 3.21Å; R188-R195 PolarHBondContact O-NH1 3.33Å
189	N	97.7	Very high	97.8	Very high	121 Å²	121	77.8 Å²	77.8	65%	0.647	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.2	175.7	-65.6	-12.5	0	0	0	113.3	Q187 R195	Q187-N189 PolarHBondContact O-N 2.94Å; N189-R195 PolarHBondContact OD1-NH1 3.03Å
190	R	97.3	Very high	97.9	Very high	204 Å²	204	74.2 Å²	74.2	77%	0.77	34%	0.338	S	S	*	.	S	Bend	trans	-66.2	-43.1	-176	176.3	62.6	70.8	177.4	4.3	113.1	Q187	Q187-R190 HydrophobicContact CB-CB 4.49Å; Q187-R190 VanDerWaalsContact O-CB 3.25Å; Q187-R190 WeakPolarHBondContact O-CB 3.48Å; Q187-R190 PolarHBondContact O-N 2.72Å
191	C	98.2	Very high	97.9	Very high	10 Å²	10	74.1 Å²	74.1	7%	0.068	34%	0.341	C	S	.	.			trans	-133.3	113.2	178.9	-178.4	0	0	0	0	110.5	C181 C194 R195	C181-C191 HydrophobicContact CB-CB 3.82Å; C191-C194 HydrophobicContact CB-CB 4.32Å; C191-C194 PolarHBondContact SG-N 3.31Å; C191-R195 WeakPolarHBondContact O-CB 3.48Å; C191-R195 PolarHBondContact O-N 2.87Å
192	Q	98.4	Very high	97.9	Very high	101 Å²	101	76.9 Å²	76.9	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-37.1	178.5	-67.7	173.5	-90.9	0	0	111.8	F162 Y173 R195 Y196	F162-Q192 HydrophobicContact CE2-CB 4.07Å; F162-Q192 HydrophobicContact CE2-CG 4.1Å; F162-Q192 HydrophobicContact CZ-CB 4.25Å; F162-Q192 WeakPolarHBondContact CZ-O 3.38Å; Y173-Q192 HydrophobicContact CD1-CB 3.82Å; Y173-Q192 HydrophobicContact CD2-CB 3.77Å; Y173-Q192 HydrophobicContact CE1-CB 4.05Å; Y173-Q192 HydrophobicContact CE1-CG 4.48Å; Y173-Q192 HydrophobicContact CE2-CB 3.97Å; Y173-Q192 HydrophobicContact CG-CB 3.69Å; Q192-R195 PolarHBondContact O-N 3.16Å; Q192-Y196 WeakPolarHBondContact O-CB 3.44Å; Q192-Y196 PolarHBondContact O-N 2.88Å
193	Y	98.6	Very high	97.9	Very high	50 Å²	50	72.5 Å²	72.5	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-59.4	177.3	177	-93.4	0	0	0	111.7	Y173 C175 K179 R195 Y196 Q197	Y173-Y193 VanDerWaalsContact O-CD2 3.22Å; Y173-Y193 WeakPolarHBondContact O-CD2 3.25Å; C175-Y193 HydrophobicContact CB-CD1 3.64Å; C175-Y193 HydrophobicContact CB-CE1 4.36Å; C175-Y193 HydrophobicContact CB-CG 3.98Å; K179-Y193 HydrophobicContact CB-CD1 4.44Å; K179-Y193 HydrophobicContact CB-CE1 3.84Å; K179-Y193 HydrophobicContact CD-CE1 3.79Å; K179-Y193 HydrophobicContact CG-CD1 4.16Å; K179-Y193 HydrophobicContact CG-CE1 3.56Å; Y193-R195 PolarHBondContact O-N 3.23Å; Y193-Y196 PolarHBondContact O-N 3.44Å; Y193-Q197 HydrophobicContact CD1-CG 4.08Å; Y193-Q197 HydrophobicContact CD2-CG 4.38Å; Y193-Q197 HydrophobicContact CE1-CG 3.68Å; Y193-Q197 HydrophobicContact CE2-CG 4.03Å; Y193-Q197 HydrophobicContact CG-CG 4.43Å; Y193-Q197 WeakPolarHBondContact O-CG 3.39Å; Y193-Q197 PolarHBondContact O-N 3.07Å
194	C	98.5	Very high	97.9	Very high	8 Å²	8	72 Å²	72	5%	0.054	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-33.9	-177.9	-61.1	0	0	0	0	112	K179 C181 I183 C191 K198	K179-C194 PolarHBondContact O-SG 3.46Å; C181-C194 HydrophobicContact CB-CB 3.9Å; C181-C194 PolarHBondContact SG-SG 3.35Å; I183-C194 HydrophobicContact CD1-CB 4.02Å; I183-C194 HydrophobicContact CG1-CB 4.46Å; C191-C194 HydrophobicContact CB-CB 4.32Å; C191-C194 PolarHBondContact SG-N 3.31Å; C194-K198 VanDerWaalsContact O-CB 3.29Å; C194-K198 WeakPolarHBondContact O-CB 3.48Å; C194-K198 PolarHBondContact O-N 3.35Å
195	R	98.7	Very high	97.9	Very high	11 Å²	11	74.4 Å²	74.4	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-44.4	172.8	-170.4	-166.9	-170.7	148.6	-12.9	112.2	I141 G158 F162 I183 R188 N189 C191 Q192 Y193 K198 C199	I141-R195 HydrophobicContact CG2-CG 4.47Å; G158-R195 PolarHBondContact O-NH2 3.13Å; F162-R195 VanDerWaalsContact CD1-CD 3.47Å; F162-R195 HydrophobicContact CD1-CG 3.96Å; F162-R195 HydrophobicContact CE1-CB 4.02Å; F162-R195 HydrophobicContact CE1-CG 3.76Å; F162-R195 HydrophobicContact CZ-CB 4.18Å; F162-R195 HydrophobicContact CZ-CG 4.29Å; I183-R195 HydrophobicContact CD1-CB 3.98Å; I183-R195 HydrophobicContact CG2-CG 4.23Å; R188-R195 VanDerWaalsContact O-CD 3.29Å; R188-R195 WeakPolarHBondContact O-CD 3.21Å; R188-R195 PolarHBondContact O-NH1 3.33Å; N189-R195 PolarHBondContact OD1-NH1 3.03Å; C191-R195 WeakPolarHBondContact O-CB 3.48Å; C191-R195 PolarHBondContact O-N 2.87Å; Q192-R195 PolarHBondContact O-N 3.16Å; Y193-R195 PolarHBondContact O-N 3.23Å; R195-K198 PolarHBondContact O-N 2.82Å; R195-C199 PolarHBondContact O-N 3.29Å; R195-C199 PolarHBondContact O-SG 2.96Å
196	Y	98.5	Very high	97.8	Very high	32 Å²	32	73.9 Å²	73.9	13%	0.125	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-44.2	179.2	-180	-118.4	0	0	0	111.9	F162 F163 T166 I167 Q192 Y193 K198 C199 L200	F162-Y196 HydrophobicContact CE1-CD2 4.43Å; F163-Y196 HydrophobicContact CD2-CD2 4.02Å; F163-Y196 AromaticContact CD2-CE2 3.83Å; F163-Y196 HydrophobicContact CD2-CE2 3.83Å; F163-Y196 HydrophobicContact CE2-CD2 4.2Å; F163-Y196 AromaticContact CE2-CE2 3.64Å; F163-Y196 HydrophobicContact CE2-CE2 3.64Å; T166-Y196 HydrophobicContact CG2-CD1 4.34Å; T166-Y196 HydrophobicContact CG2-CD2 3.65Å; T166-Y196 HydrophobicContact CG2-CE1 4.34Å; T166-Y196 HydrophobicContact CG2-CE2 3.67Å; T166-Y196 HydrophobicContact CG2-CG 4.01Å; I167-Y196 HydrophobicContact CD1-CE2 3.97Å; I167-Y196 VanDerWaalsContact CD1-OH 3.28Å; I167-Y196 WeakPolarHBondContact CD1-OH 3.34Å; Q192-Y196 WeakPolarHBondContact O-CB 3.44Å; Q192-Y196 PolarHBondContact O-N 2.88Å; Y193-Y196 PolarHBondContact O-N 3.44Å; Y196-K198 VanDerWaalsContact C-N 3.3Å; Y196-K198 PolarHBondContact O-N 3.29Å; Y196-C199 WeakPolarHBondContact O-CA 3.35Å; Y196-C199 VanDerWaalsContact O-CB 3.3Å; Y196-C199 WeakPolarHBondContact O-CB 3.42Å; Y196-C199 PolarHBondContact O-N 3.27Å; Y196-L200 HydrophobicContact CD1-CD1 4.26Å; Y196-L200 HydrophobicContact CE1-CD1 3.76Å; Y196-L200 HydrophobicContact CE1-CG 4.43Å; Y196-L200 HydrophobicContact CE2-CD2 4.36Å; Y196-L200 HydrophobicContact CE2-CG 4.36Å; Y196-L200 PolarHBondContact O-N 3.38Å
197	Q	98.3	Very high	97.6	Very high	68 Å²	68	68.6 Å²	68.6	32%	0.318	33%	0.325	S	S	.	.	H	α-helix	trans	-57.1	-44.5	172.2	-65.1	-55.7	-30.4	0	0	111.1	Y193 C199 L200 V201	Y193-Q197 HydrophobicContact CD1-CG 4.08Å; Y193-Q197 HydrophobicContact CD2-CG 4.38Å; Y193-Q197 HydrophobicContact CE1-CG 3.68Å; Y193-Q197 HydrophobicContact CE2-CG 4.03Å; Y193-Q197 HydrophobicContact CG-CG 4.43Å; Y193-Q197 WeakPolarHBondContact O-CG 3.39Å; Y193-Q197 PolarHBondContact O-N 3.07Å; Q197-C199 VanDerWaalsContact C-N 3.32Å; Q197-C199 PolarHBondContact O-N 2.82Å; Q197-L200 PolarHBondContact O-N 2.95Å; Q197-L200 VanDerWaalsContact O-N 3.13Å; Q197-V201 WeakPolarHBondContact O-CG2 3.5Å; Q197-V201 PolarHBondContact O-N 3.27Å
198	K	98.3	Very high	97.5	Very high	69 Å²	69	66.9 Å²	66.9	30%	0.3	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-32.1	175	-165	174.7	-177.9	-173	0	113.3	I141 I183 C194 R195 Y196 M202	I141-K198 HydrophobicContact CG2-CG 4.48Å; I141-K198 VanDerWaalsContact O-CD 3.25Å; I141-K198 WeakPolarHBondContact O-CD 3.4Å; I141-K198 WeakPolarHBondContact O-CE 3.2Å; I141-K198 PolarHBondContact O-NZ 3.15Å; I183-K198 HydrophobicContact CB-CD 3.71Å; I183-K198 HydrophobicContact CG1-CB 4.5Å; I183-K198 HydrophobicContact CG1-CD 4Å; I183-K198 HydrophobicContact CG2-CD 4.2Å; I183-K198 PolarHBondContact O-NZ 2.95Å; I183-K198 VanDerWaalsContact O-NZ 3.09Å; C194-K198 VanDerWaalsContact O-CB 3.29Å; C194-K198 WeakPolarHBondContact O-CB 3.48Å; C194-K198 PolarHBondContact O-N 3.35Å; R195-K198 PolarHBondContact O-N 2.82Å; Y196-K198 VanDerWaalsContact C-N 3.3Å; Y196-K198 PolarHBondContact O-N 3.29Å; K198-M202 HydrophobicContact CG-CG 4.24Å; K198-M202 WeakPolarHBondContact O-CB 3.32Å; K198-M202 WeakPolarHBondContact O-CG 3.44Å; K198-M202 PolarHBondContact O-N 2.9Å
199	C	98.5	Very high	97.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-47.1	170.3	-67.9	0	0	0	0	111.4	I141 F163 R195 Y196 Q197 M202 G203 M204	I141-C199 HydrophobicContact CG1-CB 4.48Å; F163-C199 HydrophobicContact CD2-CB 3.63Å; F163-C199 HydrophobicContact CE2-CB 4.05Å; R195-C199 PolarHBondContact O-N 3.29Å; R195-C199 PolarHBondContact O-SG 2.96Å; Y196-C199 WeakPolarHBondContact O-CA 3.35Å; Y196-C199 VanDerWaalsContact O-CB 3.3Å; Y196-C199 WeakPolarHBondContact O-CB 3.42Å; Y196-C199 PolarHBondContact O-N 3.27Å; Q197-C199 VanDerWaalsContact C-N 3.32Å; Q197-C199 PolarHBondContact O-N 2.82Å; C199-M202 PolarHBondContact O-N 3.29Å; C199-G203 PolarHBondContact O-N 3.44Å; C199-M204 HydrophobicContact CB-CB 4.16Å; C199-M204 HydrophobicContact CB-CG 4.17Å; C199-M204 HydrophobicContact CB-SD 3.66Å; C199-M204 VanDerWaalsContact O-CB 3.26Å; C199-M204 WeakPolarHBondContact O-CB 3.36Å; C199-M204 PolarHBondContact O-N 3.37Å
200	L	98.1	Very high	96.8	Very high	62 Å²	62	66.5 Å²	66.5	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-47.4	178.9	-63.3	174.4	0	0	0	111.9	F163 Y196 Q197 M202 G203	F163-L200 HydrophobicContact CE2-CD2 3.92Å; F163-L200 HydrophobicContact CZ-CD2 4.27Å; Y196-L200 HydrophobicContact CD1-CD1 4.26Å; Y196-L200 HydrophobicContact CE1-CD1 3.76Å; Y196-L200 HydrophobicContact CE1-CG 4.43Å; Y196-L200 HydrophobicContact CE2-CD2 4.36Å; Y196-L200 HydrophobicContact CE2-CG 4.36Å; Y196-L200 PolarHBondContact O-N 3.38Å; Q197-L200 PolarHBondContact O-N 2.95Å; Q197-L200 VanDerWaalsContact O-N 3.13Å; L200-M202 VanDerWaalsContact C-N 3.27Å; L200-M202 PolarHBondContact O-N 3.38Å; L200-G203 WeakPolarHBondContact O-CA 3.38Å; L200-G203 PolarHBondContact O-N 3.3Å
201	V	97.8	Very high	96.1	Very high	110 Å²	110	63.9 Å²	63.9	67%	0.667	32%	0.318	S	S	*	.	H	α-helix	trans	-61.9	-33	178.6	173.7	0	0	0	0	112.2	Q197 G203	Q197-V201 WeakPolarHBondContact O-CG2 3.5Å; Q197-V201 PolarHBondContact O-N 3.27Å; V201-G203 PolarHBondContact O-N 3.21Å
202	M	97.5	Very high	95	Very high	78 Å²	78	69.7 Å²	69.7	38%	0.384	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.1	173	-63.5	-67.7	95.9	0	0	113.7	A140 I141 V153 K198 C199 L200	A140-M202 HydrophobicContact CB-CB 4.45Å; A140-M202 HydrophobicContact CB-CG 4.28Å; A140-M202 HydrophobicContact CB-SD 4.05Å; I141-M202 HydrophobicContact CD1-CB 4.12Å; I141-M202 HydrophobicContact CD1-CG 4.39Å; I141-M202 HydrophobicContact CG1-CB 4.43Å; I141-M202 HydrophobicContact CG1-CG 4.35Å; V153-M202 HydrophobicContact CG1-CB 4.19Å; V153-M202 WeakPolarHBondContact CG2-O 3.34Å; K198-M202 HydrophobicContact CG-CG 4.24Å; K198-M202 WeakPolarHBondContact O-CB 3.32Å; K198-M202 WeakPolarHBondContact O-CG 3.44Å; K198-M202 PolarHBondContact O-N 2.9Å; C199-M202 PolarHBondContact O-N 3.29Å; L200-M202 VanDerWaalsContact C-N 3.27Å; L200-M202 PolarHBondContact O-N 3.38Å
203	G	97.6	Very high	94	Very high	39 Å²	39	75.1 Å²	75.1	40%	0.402	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	21.8	175	0	0	0	0	0	115.9	V153 C199 L200 V201 K205	V153-G203 WeakPolarHBondContact CG2-O 3.37Å; C199-G203 PolarHBondContact O-N 3.44Å; L200-G203 WeakPolarHBondContact O-CA 3.38Å; L200-G203 PolarHBondContact O-N 3.3Å; V201-G203 PolarHBondContact O-N 3.21Å; G203-K205 PolarHBondContact O-N 2.67Å
204	M	98.1	Very high	92.2	Very high	6 Å²	6	78.1 Å²	78.1	3%	0.03	38%	0.377	C	S	.	.			trans	-70	119.7	174.6	-74.5	-167.3	156.4	0	0	111.2	I141 Y151 V153 S155 F163 C199	I141-M204 HydrophobicContact CD1-CE 3.92Å; I141-M204 HydrophobicContact CD1-SD 4.4Å; Y151-M204 WeakPolarHBondContact O-CA 3.42Å; V153-M204 HydrophobicContact CB-CE 4.44Å; V153-M204 HydrophobicContact CB-CG 4Å; V153-M204 HydrophobicContact CG2-CB 4.36Å; V153-M204 HydrophobicContact CG2-CG 3.7Å; S155-M204 WeakPolarHBondContact OG-CE 3.29Å; F163-M204 HydrophobicContact CB-SD 3.9Å; F163-M204 HydrophobicContact CD1-CB 4.37Å; F163-M204 HydrophobicContact CD1-SD 4.38Å; F163-M204 HydrophobicContact CD2-CB 3.94Å; F163-M204 HydrophobicContact CD2-SD 3.89Å; F163-M204 HydrophobicContact CE1-CB 4.07Å; F163-M204 HydrophobicContact CE2-CB 3.59Å; F163-M204 HydrophobicContact CG-CB 4.31Å; F163-M204 HydrophobicContact CG-SD 3.8Å; F163-M204 HydrophobicContact CZ-CB 3.67Å; F163-M204 WeakPolarHBondContact CZ-O 3.47Å; C199-M204 HydrophobicContact CB-CB 4.16Å; C199-M204 HydrophobicContact CB-CG 4.17Å; C199-M204 HydrophobicContact CB-SD 3.66Å; C199-M204 VanDerWaalsContact O-CB 3.26Å; C199-M204 WeakPolarHBondContact O-CB 3.36Å; C199-M204 PolarHBondContact O-N 3.37Å
205	K	96.5	Very high	90.3	Very high	105 Å²	105	88.4 Å²	88.4	46%	0.457	41%	0.414	S	S	.	.			trans	-81.5	115.2	-175.4	-77.5	173	157.4	-89.3	0	112.3	Y151 F163 G203 E207 A208	Y151-K205 PolarHBondContact O-N 2.93Å; F163-K205 WeakPolarHBondContact CE1-O 3.45Å; G203-K205 PolarHBondContact O-N 2.67Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 WeakPolarHBondContact CA-OE2 3.26Å; K205-E207 WeakPolarHBondContact CB-OE1 3.35Å; K205-E207 WeakPolarHBondContact CB-OE2 3.37Å; K205-E207 WeakPolarHBondContact CD-OE1 3.45Å; K205-E207 WeakPolarHBondContact CG-OE1 3.44Å; K205-E207 IonicContact NZ-OE1 3.84Å; K205-E207 PolarHBondContact NZ-OE1 3.46Å; K205-E207 PolarHBondContact O-N 3.23Å; K205-A208 HydrophobicContact CB-CB 3.81Å; K205-A208 PolarHBondContact O-N 3.43Å
206	R	95.5	Very high	88.4	Confident	114 Å²	114	93 Å²	93	43%	0.43	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-55.7	-46.4	174	165	178.8	-86.9	-99	7	110.3	I167 D170 A208 V209	I167-R206 HydrophobicContact CD1-CB 4.13Å; I167-R206 HydrophobicContact CD1-CG 3.99Å; I167-R206 HydrophobicContact CG2-CG 4Å; D170-R206 IonicContact OD1-CZ 2.68Å; D170-R206 VanDerWaalsContact OD1-CZ 3.26Å; D170-R206 IonicContact OD1-NH1 2.83Å; D170-R206 PolarHBondContact OD1-NH1 2.94Å; D170-R206 IonicContact OD1-NH2 2.66Å; D170-R206 PolarHBondContact OD1-NH2 3.46Å; R206-A208 PolarHBondContact O-N 2.9Å; R206-V209 WeakPolarHBondContact O-CB 3.17Å; R206-V209 PolarHBondContact O-N 3.24Å
207	E	93.8	Very high	86.4	Confident	130 Å²	130	100.4 Å²	100.4	61%	0.607	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-65	-18.7	-177.2	75.2	-76.7	-172.5	0	0	113.7	K205 V209	K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 WeakPolarHBondContact CA-OE2 3.26Å; K205-E207 WeakPolarHBondContact CB-OE1 3.35Å; K205-E207 WeakPolarHBondContact CB-OE2 3.37Å; K205-E207 WeakPolarHBondContact CD-OE1 3.45Å; K205-E207 WeakPolarHBondContact CG-OE1 3.44Å; K205-E207 IonicContact NZ-OE1 3.84Å; K205-E207 PolarHBondContact NZ-OE1 3.46Å; K205-E207 PolarHBondContact O-N 3.23Å; E207-V209 VanDerWaalsContact C-N 3.27Å; E207-V209 PolarHBondContact O-N 2.95Å
208	A	94	Very high	84.5	Confident	45 Å²	45	104.2 Å²	104.2	37%	0.372	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-80.3	-6.4	173.8	0	0	0	0	0	113.1	Y151 K205 R206 Q210	Y151-A208 HydrophobicContact CD1-CB 3.94Å; Y151-A208 WeakPolarHBondContact CD1-O 3.48Å; K205-A208 HydrophobicContact CB-CB 3.81Å; K205-A208 PolarHBondContact O-N 3.43Å; R206-A208 PolarHBondContact O-N 2.9Å; A208-Q210 PolarHBondContact O-N 3.46Å
209	V	93	Very high	82.4	Confident	17 Å²	17	107.4 Å²	107.4	10%	0.103	50%	0.504	C	S	.	.	S	Bend	trans	-85.7	93.8	172.7	-175.1	0	0	0	0	108.9	Y151 F163 K164 I167 R168 R206 E207	Y151-V209 HydrophobicContact CD1-CG2 3.73Å; Y151-V209 HydrophobicContact CE1-CB 4.32Å; Y151-V209 HydrophobicContact CE1-CG2 3.66Å; Y151-V209 HydrophobicContact CE2-CG2 4.5Å; Y151-V209 HydrophobicContact CG-CG2 4.21Å; F163-V209 HydrophobicContact CD1-CG2 3.71Å; F163-V209 HydrophobicContact CE1-CG2 3.66Å; K164-V209 HydrophobicContact CG-CG1 4.2Å; I167-V209 HydrophobicContact CB-CB 4.14Å; I167-V209 HydrophobicContact CB-CG1 4.09Å; I167-V209 HydrophobicContact CB-CG2 4.04Å; I167-V209 HydrophobicContact CG1-CG2 3.95Å; I167-V209 HydrophobicContact CG2-CB 3.85Å; I167-V209 HydrophobicContact CG2-CG1 4.04Å; I167-V209 HydrophobicContact CG2-CG2 4.18Å; R168-V209 HydrophobicContact CG-CG1 4.44Å; R206-V209 WeakPolarHBondContact O-CB 3.17Å; R206-V209 PolarHBondContact O-N 3.24Å; E207-V209 VanDerWaalsContact C-N 3.27Å; E207-V209 PolarHBondContact O-N 2.95Å
210	Q	87.8	Confident	80.2	Confident	137 Å²	137	110 Å²	110	64%	0.64	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-51.8	146.8	168	-67.2	177.8	-6	0	0	110.7	R168 A208	R168-Q210 PolarHBondContact NH1-O 3.44Å; R168-Q210 PolarHBondContact NH2-O 2.9Å; A208-Q210 PolarHBondContact O-N 3.46Å
211	E	81.8	Confident	78.1	Confident	149 Å²	149	112.4 Å²	112.4	70%	0.696	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-60.9	169.2	176.2	-163.2	164	-158.7	0	0	112.9	R168 R213	R168-E211 PolarHBondContact NH2-O 3.33Å; E211-R213 PolarHBondContact O-N 2.88Å
212	E	76.1	Confident	75.9	Confident	133 Å²	133	110.3 Å²	110.3	62%	0.621	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-58.9	132.5	168.4	-166.6	98.7	-111.8	0	0	109.5	Q214	E212-Q214 PolarHBondContact O-N 2.85Å
213	R	76	Confident	73.8	Confident	215 Å²	215	112.5 Å²	112.5	81%	0.811	54%	0.535	S	S	*	.			trans	-76.8	81.4	169	-68.2	-177.3	-174.5	174.1	0.1	107.9	E211	E211-R213 PolarHBondContact O-N 2.88Å
214	Q	61.9	Low	71.6	Confident	112 Å²	112	113.4 Å²	113.4	52%	0.523	54%	0.539	S	S	.	.			trans	-55.9	142.4	166.6	-76.9	178.9	-27.8	0	0	109.2	E212 S216	E212-Q214 PolarHBondContact O-N 2.85Å; Q214-S216 PolarHBondContact O-N 3.49Å
215	R	59	Low	69.4	Low	225 Å²	225	119.7 Å²	119.7	85%	0.849	57%	0.568	S	S	*	*			trans	-72	125.4	166.6	-76.7	174.4	162	173.8	-7.1	106.6	R217	R215-R217 PolarHBondContact O-N 2.75Å
216	S	58.8	Low	67.2	Low	108 Å²	108	118.8 Å²	118.8	76%	0.755	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	17.6	-168.4	-35.9	0	0	0	0	116.8	Q214	Q214-S216 PolarHBondContact O-N 3.49Å
217	R	55.8	Low	65	Low	187 Å²	187	117.7 Å²	117.7	71%	0.706	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-44.6	-172.2	-170.3	171.1	172.2	173.9	-3.6	112.7	R215 R219 A220 E221	R215-R217 PolarHBondContact O-N 2.75Å; R217-R219 PolarHBondContact O-N 2.79Å; R217-A220 PolarHBondContact O-N 3.37Å; R217-E221 IonicContact NE-OE1 2.75Å
218	E	58.5	Low	63	Low	147 Å²	147	116.6 Å²	116.6	69%	0.687	60%	0.596	S	S	*	*	H	α-helix	trans	-69.5	-32.5	-177.3	-67.8	162	-173.8	0	0	112.6	S222	E218-S222 PolarHBondContact O-OG 2.68Å
219	R	54.2	Low	60.8	Low	136 Å²	136	117.5 Å²	117.5	51%	0.513	60%	0.599	S	S	.	*	H	α-helix	trans	-75.3	-31.1	177.1	-134.4	-179.5	-161.4	149.2	5	113.2	R217 E221 S222 E223	R217-R219 PolarHBondContact O-N 2.79Å; R219-E221 VanDerWaalsContact C-N 3.35Å; R219-S222 WeakPolarHBondContact CA-OG 3.42Å; R219-S222 PolarHBondContact O-N 2.91Å; R219-S222 PolarHBondContact O-OG 3.31Å; R219-E223 WeakPolarHBondContact CD-OE1 3.43Å; R219-E223 VanDerWaalsContact O-CB 3.3Å; R219-E223 WeakPolarHBondContact O-CB 3.39Å; R219-E223 VanDerWaalsContact O-CG 3.28Å; R219-E223 WeakPolarHBondContact O-CG 3.5Å; R219-E223 PolarHBondContact O-N 3.06Å
220	A	51.5	Low	58.8	Low	56 Å²	56	117.8 Å²	117.8	46%	0.463	61%	0.606	S	S	.	*	H	α-helix	trans	-70.2	-32.4	179.7	0	0	0	0	0	112.4	R217 A224	R217-A220 PolarHBondContact O-N 3.37Å; A220-A224 VanDerWaalsContact O-CB 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3.37Å
221	E	54.6	Low	57.2	Low	112 Å²	112	116.9 Å²	116.9	52%	0.523	60%	0.601	S	S	.	*	H	α-helix	trans	-69.8	-43.5	175.4	-69.8	165.1	-174.6	0	0	110.2	R217 R219 A224 E225	R217-E221 IonicContact NE-OE1 2.75Å; R219-E221 VanDerWaalsContact C-N 3.35Å; E221-A224 PolarHBondContact O-N 3.45Å; E221-E225 WeakPolarHBondContact O-CG 3.48Å; E221-E225 PolarHBondContact O-N 2.94Å
222	S	52.7	Low	56.4	Low	66 Å²	66	118.4 Å²	118.4	46%	0.462	61%	0.608	S	S	.	*	H	α-helix	trans	-74.4	-33.1	178.1	37.5	0	0	0	0	114.9	E218 R219 C226	E218-S222 PolarHBondContact O-OG 2.68Å; R219-S222 WeakPolarHBondContact CA-OG 3.42Å; R219-S222 PolarHBondContact O-N 2.91Å; R219-S222 PolarHBondContact O-OG 3.31Å; S222-C226 PolarHBondContact O-N 3.14Å
223	E	52.9	Low	56.7	Low	123 Å²	123	115.3 Å²	115.3	58%	0.575	60%	0.596	S	S	*	*	H	α-helix	trans	-70.6	-32	172.7	-74.6	170.4	-171	0	0	112.2	R219 A227	R219-E223 WeakPolarHBondContact CD-OE1 3.43Å; R219-E223 VanDerWaalsContact O-CB 3.3Å; R219-E223 WeakPolarHBondContact O-CB 3.39Å; R219-E223 VanDerWaalsContact O-CG 3.28Å; R219-E223 WeakPolarHBondContact O-CG 3.5Å; R219-E223 PolarHBondContact O-N 3.06Å; E223-A227 PolarHBondContact O-N 2.92Å
224	A	50.7	Low	57.5	Low	59 Å²	59	105.1 Å²	105.1	49%	0.488	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-43.4	177	0	0	0	0	0	112.6	A220 E221 C226 A227	A220-A224 VanDerWaalsContact O-CB 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3.37Å; E221-A224 PolarHBondContact O-N 3.45Å; A224-C226 VanDerWaalsContact C-N 3.34Å; A224-C226 PolarHBondContact O-N 3.46Å; A224-A227 PolarHBondContact O-N 3.1Å
225	E	51.3	Low	59.1	Low	138 Å²	138	101.1 Å²	101.1	65%	0.645	54%	0.541	S	S	*	.	H	α-helix	trans	-63.4	-37.8	178.1	-73.4	178.8	162.1	0	0	112.5	E221 A227 S229	E221-E225 WeakPolarHBondContact O-CG 3.48Å; E221-E225 PolarHBondContact O-N 2.94Å; E225-A227 PolarHBondContact O-N 2.95Å; E225-S229 VanDerWaalsContact O-CB 3.24Å; E225-S229 WeakPolarHBondContact O-CB 3.46Å; E225-S229 PolarHBondContact O-N 3.25Å; E225-S229 PolarHBondContact O-OG 3.07Å
226	C	52.1	Low	60.9	Low	86 Å²	86	91.2 Å²	91.2	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-68.7	-33.7	179.9	-159.8	0	0	0	0	112.9	S222 A224	S222-C226 PolarHBondContact O-N 3.14Å; A224-C226 VanDerWaalsContact C-N 3.34Å; A224-C226 PolarHBondContact O-N 3.46Å
227	A	49	Very low	62.7	Low	90 Å²	90	91.7 Å²	91.7	74%	0.744	50%	0.496	S	S	*	.	H	α-helix	trans	-78.6	-23.8	-171	0	0	0	0	0	115.6	E223 A224 E225	E223-A227 PolarHBondContact O-N 2.92Å; A224-A227 PolarHBondContact O-N 3.1Å; E225-A227 PolarHBondContact O-N 2.95Å
228	S	50.7	Low	64.6	Low	108 Å²	108	89.6 Å²	89.6	76%	0.755	49%	0.488	S	S	*	.	H	α-helix	trans	-121.2	-17.1	-179.3	60.1	0	0	0	0	115.4
229	S	47.5	Very low	66.5	Low	64 Å²	64	82.6 Å²	82.6	45%	0.448	46%	0.456	S	S	.	.	H	α-helix	trans	-106.7	-9.5	-174.4	-17.2	0	0	0	0	113.4	E225 H231 E232	E225-S229 VanDerWaalsContact O-CB 3.24Å; E225-S229 WeakPolarHBondContact O-CB 3.46Å; E225-S229 PolarHBondContact O-N 3.25Å; E225-S229 PolarHBondContact O-OG 3.07Å; S229-H231 PolarHBondContact O-N 3.03Å; S229-E232 PolarHBondContact O-N 3.31Å
230	G	51	Low	68.6	Low	23 Å²	23	78.8 Å²	78.8	24%	0.237	45%	0.445	C	S	.	.	H	α-helix	trans	-61.2	-12.8	-165.9	0	0	0	0	0	117
231	H	55	Low	70.8	Confident	117 Å²	117	81.1 Å²	81.1	54%	0.542	45%	0.446	S	S	.	.	H	α-helix	trans	-82.8	-26.4	179.5	-83.3	-48.3	0	0	0	115.3	S229 A403	S229-H231 PolarHBondContact O-N 3.03Å; H231-A403 WeakPolarHBondContact CE1-CB 3.33Å
232	E	65.2	Low	72.9	Confident	182 Å²	182	75.8 Å²	75.8	85%	0.85	42%	0.421	S	S	*	.	H	α-helix	trans	-82.4	-21.9	-177.3	-62.9	-155.2	134.9	0	0	113.2	S229	S229-E232 PolarHBondContact O-N 3.31Å
233	D	81.9	Confident	75	Confident	68 Å²	68	73 Å²	73	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-79.8	-41.5	-173.9	-140.3	31.5	0	0	0	112	P235 H289 K396	D233-P235 WeakPolarHBondContact O-CD 3.48Å; D233-H289 PolarHBondContact O-NE2 3.36Å; D233-H289 IonicContact OD1-CE1 2.68Å; D233-H289 PolarHBondContact OD1-CE1 3.06Å; D233-H289 VanDerWaalsContact OD1-CE1 3.25Å; D233-H289 IonicContact OD1-NE2 2.74Å; D233-H289 PolarHBondContact OD1-NE2 2.93Å; D233-H289 IonicContact OD2-CE1 3.03Å; D233-H289 IonicContact OD2-NE2 3.74Å; D233-H289 PolarHBondContact OD2-NE2 2.66Å; D233-K396 HydrophobicContact CB-CD 4.47Å; D233-K396 VanDerWaalsContact OD2-CE 3.24Å; D233-K396 WeakPolarHBondContact OD2-CE 3.36Å; D233-K396 IonicContact OD2-NZ 3.7Å; D233-K396 PolarHBondContact OD2-NZ 3.29Å
234	M	93.2	Very high	77.1	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	40%	0.396	C	S	.	.	S	Bend	trans	-118.1	66.5	178.3	-171.3	61.1	67.8	0	0	112	I239 P288 F377 L393 K396 V397 T400	M234-I239 HydrophobicContact CG-CD1 4.25Å; M234-I239 HydrophobicContact SD-CD1 4.05Å; M234-P288 HydrophobicContact CE-CB 4.18Å; M234-P288 HydrophobicContact SD-CB 3.78Å; M234-P288 HydrophobicContact SD-CG 3.87Å; M234-F377 HydrophobicContact CE-CE2 3.98Å; M234-F377 HydrophobicContact CE-CZ 4.43Å; M234-L393 HydrophobicContact CE-CD2 4.3Å; M234-K396 HydrophobicContact CB-CB 3.79Å; M234-K396 HydrophobicContact CG-CB 4.24Å; M234-V397 HydrophobicContact CE-CG2 3.95Å; M234-V397 HydrophobicContact CG-CB 4.49Å; M234-V397 HydrophobicContact CG-CG2 3.73Å; M234-V397 HydrophobicContact SD-CG2 3.76Å; M234-T400 WeakPolarHBondContact O-CB 3.43Å; M234-T400 WeakPolarHBondContact O-CG2 3.47Å; M234-T400 PolarHBondContact O-OG1 2.99Å
235	P	94.8	Very high	79.3	Confident	28 Å²	28	71.3 Å²	71.3	18%	0.182	40%	0.395	C	S	.	.			trans	-68.6	131.8	-175.4	26.9	-35.3	0	0	0	112.6	D233 E237 R238 I239 P288	D233-P235 WeakPolarHBondContact O-CD 3.48Å; P235-E237 PolarHBondContact O-N 3.31Å; P235-R238 HydrophobicContact CB-CG 4.38Å; P235-R238 HydrophobicContact CG-CB 4.06Å; P235-R238 HydrophobicContact CG-CG 3.57Å; P235-R238 PolarHBondContact O-N 2.95Å; P235-I239 PolarHBondContact O-N 2.93Å; P235-P288 HydrophobicContact CG-CG 4.35Å
236	V	96.7	Very high	81.3	Confident	17 Å²	17	65.6 Å²	65.6	10%	0.103	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-27	-179.7	65.2	0	0	0	0	112.3	I239 L240 T400 Y404	V236-I239 PolarHBondContact O-N 3.42Å; V236-L240 WeakPolarHBondContact O-CB 3.36Å; V236-L240 PolarHBondContact O-N 3.11Å; V236-T400 HydrophobicContact CB-CG2 3.64Å; V236-T400 HydrophobicContact CG2-CG2 4.38Å; V236-Y404 HydrophobicContact CB-CD2 4.45Å; V236-Y404 HydrophobicContact CG1-CD2 3.99Å; V236-Y404 HydrophobicContact CG2-CD2 3.81Å; V236-Y404 HydrophobicContact CG2-CE2 4.21Å; V236-Y404 HydrophobicContact CG2-CG 4.14Å
237	E	96.6	Very high	83	Confident	118 Å²	118	66.1 Å²	66.1	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-62.3	-43.2	176.7	-65.1	67.2	-149.4	0	0	111	P235 L240 E241	P235-E237 PolarHBondContact O-N 3.31Å; E237-L240 PolarHBondContact O-N 3.21Å; E237-E241 WeakPolarHBondContact O-CG 3.37Å; E237-E241 PolarHBondContact O-N 3.43Å
238	R	97	Very high	84.6	Confident	144 Å²	144	63.1 Å²	63.1	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-69.4	-35.1	177.3	-63.4	-57.3	-159	116.4	11.2	112.2	P235 L240 E241 A242 P288	P235-R238 HydrophobicContact CB-CG 4.38Å; P235-R238 HydrophobicContact CG-CB 4.06Å; P235-R238 HydrophobicContact CG-CG 3.57Å; P235-R238 PolarHBondContact O-N 2.95Å; R238-L240 VanDerWaalsContact C-N 3.35Å; R238-E241 WeakPolarHBondContact CD-OE2 3.24Å; R238-E241 IonicContact NE-OE2 3.13Å; R238-E241 PolarHBondContact O-N 3.32Å; R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 2.91Å; R238-P288 HydrophobicContact CB-CG 3.86Å
239	I	98	Very high	85.5	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-41.8	172.8	-63.9	175.1	0	0	0	110.3	M234 P235 V236 A242 E243 I287	M234-I239 HydrophobicContact CG-CD1 4.25Å; M234-I239 HydrophobicContact SD-CD1 4.05Å; P235-I239 PolarHBondContact O-N 2.93Å; V236-I239 PolarHBondContact O-N 3.42Å; I239-A242 WeakPolarHBondContact O-CB 3.47Å; I239-A242 PolarHBondContact O-N 3.41Å; I239-E243 PolarHBondContact O-N 3.08Å; I239-E243 VanDerWaalsContact O-N 3.12Å; I239-I287 HydrophobicContact CG1-CD1 4.47Å; I239-I287 HydrophobicContact CG2-CD1 4.48Å
240	L	98.1	Very high	86.2	Confident	55 Å²	55	67.6 Å²	67.6	29%	0.288	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-44.6	174.5	176.9	61.5	0	0	0	112	V236 E237 R238 A242 E243 L244 K365	V236-L240 WeakPolarHBondContact O-CB 3.36Å; V236-L240 PolarHBondContact O-N 3.11Å; E237-L240 PolarHBondContact O-N 3.21Å; R238-L240 VanDerWaalsContact C-N 3.35Å; L240-A242 VanDerWaalsContact C-N 3.26Å; L240-A242 PolarHBondContact O-N 3.21Å; L240-E243 PolarHBondContact O-N 2.71Å; L240-L244 HydrophobicContact CD1-CD1 4.02Å; L240-L244 HydrophobicContact CD1-CG 4.06Å; L240-L244 HydrophobicContact CG-CD1 3.92Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 VanDerWaalsContact O-CG 3.32Å; L240-L244 WeakPolarHBondContact O-CG 3.18Å; L240-L244 PolarHBondContact O-N 2.92Å; L240-K365 HydrophobicContact CD1-CB 3.67Å
241	E	97.6	Very high	85.8	Confident	105 Å²	105	73.4 Å²	73.4	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-56.6	-40.5	173.3	-76.3	173.3	-172.5	0	0	111.6	E237 R238 L244 A245	E237-E241 WeakPolarHBondContact O-CG 3.37Å; E237-E241 PolarHBondContact O-N 3.43Å; R238-E241 WeakPolarHBondContact CD-OE2 3.24Å; R238-E241 IonicContact NE-OE2 3.13Å; R238-E241 PolarHBondContact O-N 3.32Å; E241-L244 PolarHBondContact O-N 3.27Å; E241-A245 WeakPolarHBondContact O-CB 3.21Å; E241-A245 PolarHBondContact O-N 3.08Å
242	A	98	Very high	85	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.7	-45.3	175.8	0	0	0	0	0	112.1	R238 I239 L240 V246 R286 I287	R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 2.91Å; I239-A242 WeakPolarHBondContact O-CB 3.47Å; I239-A242 PolarHBondContact O-N 3.41Å; L240-A242 VanDerWaalsContact C-N 3.26Å; L240-A242 PolarHBondContact O-N 3.21Å; A242-V246 WeakPolarHBondContact O-CG2 3.13Å; A242-R286 HydrophobicContact CB-CB 3.58Å; A242-I287 HydrophobicContact CB-CD1 3.74Å
243	E	97.7	Very high	83.7	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.033	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-39.6	175.4	-72.9	-63.8	142.9	0	0	113.1	I239 L240 W283 G369 R372	I239-E243 PolarHBondContact O-N 3.08Å; I239-E243 VanDerWaalsContact O-N 3.12Å; L240-E243 PolarHBondContact O-N 2.71Å; E243-W283 PolarHBondContact OE1-NE1 2.78Å; E243-G369 WeakPolarHBondContact OE1-CA 3.33Å; E243-R372 VanDerWaalsContact OE1-CD 3.29Å; E243-R372 WeakPolarHBondContact OE1-CD 3.41Å; E243-R372 IonicContact OE1-CZ 3.51Å; E243-R372 VanDerWaalsContact OE1-CZ 3.26Å; E243-R372 IonicContact OE1-NE 3.23Å; E243-R372 PolarHBondContact OE1-NE 3.23Å; E243-R372 IonicContact OE1-NH1 2.88Å; E243-R372 PolarHBondContact OE1-NH1 2.92Å; E243-R372 IonicContact OE2-CZ 2.95Å; E243-R372 IonicContact OE2-NH1 2.65Å; E243-R372 PolarHBondContact OE2-NH1 3.5Å
244	L	96.8	Very high	81.4	Confident	92 Å²	92	73.8 Å²	73.8	48%	0.482	39%	0.386	S	S	.	.	H	α-helix	trans	-72.5	-38	179.3	-67.8	173.8	0	0	0	112.2	L240 E241 V246 E247 K365	L240-L244 HydrophobicContact CD1-CD1 4.02Å; L240-L244 HydrophobicContact CD1-CG 4.06Å; L240-L244 HydrophobicContact CG-CD1 3.92Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 VanDerWaalsContact O-CG 3.32Å; L240-L244 WeakPolarHBondContact O-CG 3.18Å; L240-L244 PolarHBondContact O-N 2.92Å; E241-L244 PolarHBondContact O-N 3.27Å; L244-V246 PolarHBondContact O-N 3.15Å; L244-E247 PolarHBondContact O-N 2.94Å; L244-K365 HydrophobicContact CD2-CD 3.83Å
245	A	96	Very high	78.6	Confident	55 Å²	55	80.7 Å²	80.7	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-66.4	-19.3	-179.4	0	0	0	0	0	114	E241	E241-A245 WeakPolarHBondContact O-CB 3.21Å; E241-A245 PolarHBondContact O-N 3.08Å
246	V	94.6	Very high	75.8	Confident	18 Å²	18	85.7 Å²	85.7	11%	0.109	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	4.8	-176.1	-56.6	0	0	0	0	114.2	A242 L244 P248 T279 W283	A242-V246 WeakPolarHBondContact O-CG2 3.13Å; L244-V246 PolarHBondContact O-N 3.15Å; V246-P248 WeakPolarHBondContact O-CD 3.34Å; V246-T279 HydrophobicContact CB-CG2 3.65Å; V246-T279 HydrophobicContact CG1-CG2 4.21Å; V246-W283 HydrophobicContact CB-CB 4.41Å; V246-W283 HydrophobicContact CG1-CB 3.82Å; V246-W283 HydrophobicContact CG2-CB 4.09Å; V246-W283 HydrophobicContact CG2-CG 4.26Å
247	E	87.6	Confident	73	Confident	98 Å²	98	91.5 Å²	91.5	46%	0.458	48%	0.477	S	S	.	.			trans	-61.5	124.8	173.2	176.5	151.3	-120.8	0	0	110.4	L244 K249 K365	L244-E247 PolarHBondContact O-N 2.94Å; E247-K249 PolarHBondContact O-N 3.4Å; E247-K365 IonicContact OE1-NZ 2.67Å; E247-K365 PolarHBondContact OE1-NZ 3.36Å; E247-K365 IonicContact OE2-NZ 3.67Å; E247-K365 PolarHBondContact OE2-NZ 3.33Å
248	P	82.7	Confident	70.5	Confident	27 Å²	27	94 Å²	94	18%	0.175	49%	0.49	C	S	.	.			trans	-60.8	130.7	172.8	-20.9	32.8	0	0	0	109.6	V246 T250 A328	V246-P248 WeakPolarHBondContact O-CD 3.34Å; P248-T250 HydrophobicContact CB-CG2 4.37Å; P248-T250 PolarHBondContact O-N 3.03Å; P248-A328 HydrophobicContact CB-CB 4.49Å; P248-A328 HydrophobicContact CG-CB 3.87Å
249	K	70.4	Confident	68	Low	193 Å²	193	95.5 Å²	95.5	84%	0.839	50%	0.503	S	S	*	.			trans	-70.8	75.8	170.6	-60.4	-173.5	-178.2	-175.2	0	109.8	E247 E251	E247-K249 PolarHBondContact O-N 3.4Å; K249-E251 PolarHBondContact O-N 3.44Å
250	T	60.9	Low	65.6	Low	72 Å²	72	103 Å²	103	44%	0.442	54%	0.543	S	S	.	.			trans	-75.8	66.1	169.7	48.6	0	0	0	0	109.5	P248	P248-T250 HydrophobicContact CB-CG2 4.37Å; P248-T250 PolarHBondContact O-N 3.03Å
251	E	43	Very low	63.4	Low	145 Å²	145	102.5 Å²	102.5	68%	0.678	55%	0.545	S	S	*	.			trans	-66.9	143.9	159.1	-72.9	179.4	-167.1	0	0	108.7	K249 Y253	K249-E251 PolarHBondContact O-N 3.44Å; E251-Y253 VanDerWaalsContact C-N 3.29Å; E251-Y253 PolarHBondContact O-N 3.01Å
252	S	38.3	Very low	61.5	Low	124 Å²	124	100.9 Å²	100.9	87%	0.867	54%	0.542	S	S	*	.			trans	-70.3	77	-169.4	177.7	0	0	0	0	112.6	G254	S252-G254 PolarHBondContact O-N 3.3Å
253	Y	37.7	Very low	60.1	Low	183 Å²	183	109 Å²	109	72%	0.718	59%	0.585	S	S	*	*			trans	-71.3	71.7	163.4	-85.8	-80	0	0	0	110.1	E251 D255 M256	E251-Y253 VanDerWaalsContact C-N 3.29Å; E251-Y253 PolarHBondContact O-N 3.01Å; Y253-D255 PolarHBondContact O-N 2.94Å; Y253-M256 HydrophobicContact CD1-CB 3.81Å; Y253-M256 HydrophobicContact CD1-CG 3.86Å; Y253-M256 HydrophobicContact CE1-CB 4.23Å; Y253-M256 HydrophobicContact CE1-CG 3.99Å
254	G	33.6	Very low	59.6	Low	68 Å²	68	111.1 Å²	111.1	70%	0.701	60%	0.597	S	S	*	*	S	Bend	trans	-77	6.7	173.7	0	0	0	0	0	114.3	S252	S252-G254 PolarHBondContact O-N 3.3Å
255	D	35.5	Very low	59.3	Low	146 Å²	146	107.2 Å²	107.2	78%	0.781	58%	0.577	S	S	*	*	S	Bend	trans	-156.6	15.3	-165.8	-128.8	-11	0	0	0	117.2	Y253	Y253-D255 PolarHBondContact O-N 2.94Å
256	M	36	Very low	59	Low	133 Å²	133	105.2 Å²	105.2	66%	0.655	56%	0.559	S	S	*	*	S	Bend	trans	-129.6	118.5	179.4	-64.8	-87.9	92.9	0	0	113.4	Y253	Y253-M256 HydrophobicContact CD1-CB 3.81Å; Y253-M256 HydrophobicContact CD1-CG 3.86Å; Y253-M256 HydrophobicContact CE1-CB 4.23Å; Y253-M256 HydrophobicContact CE1-CG 3.99Å
257	N	36.5	Very low	58.8	Low	139 Å²	139	105.5 Å²	105.5	74%	0.743	56%	0.561	S	S	*	*			trans	64.3	53.9	166.7	-63.9	6.1	0	0	0	118	E259	N257-E259 PolarHBondContact O-N 3.28Å
258	M	45.3	Very low	58.9	Low	169 Å²	169	101.9 Å²	101.9	83%	0.833	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	40.6	160.7	-158.7	178.5	78.8	0	0	112.8
259	E	43.5	Very low	59.4	Low	176 Å²	176	103 Å²	103	82%	0.822	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-14.7	-179.6	-66.1	-167.4	152.9	0	0	113.6	N257	N257-E259 PolarHBondContact O-N 3.28Å
260	N	47	Very low	60.4	Low	158 Å²	158	94 Å²	94	85%	0.845	51%	0.51	S	S	*	.	S	Bend	trans	-115.5	8.2	176.3	-83.2	-13.1	0	0	0	113.9	T262	N260-T262 PolarHBondContact O-N 3.47Å
261	S	52.1	Low	61.7	Low	45 Å²	45	95.3 Å²	95.3	32%	0.315	51%	0.511	S	S	.	.			trans	-72.4	97.4	173.1	53.7	0	0	0	0	110	N263	S261-N263 PolarHBondContact O-N 3.27Å
262	T	57.7	Low	64.1	Low	70 Å²	70	88.7 Å²	88.7	43%	0.429	48%	0.481	S	S	.	.			trans	-54.4	133.9	168.1	56.9	0	0	0	0	109.5	N260 D264 N268	N260-T262 PolarHBondContact O-N 3.47Å; T262-D264 PolarHBondContact O-N 3.5Å; T262-D264 VanDerWaalsContact O-N 3.11Å; T262-N268 PolarHBondContact O-ND2 3.15Å
263	N	69	Low	66.7	Low	171 Å²	171	83.8 Å²	83.8	91%	0.914	45%	0.448	S	S	*	.	S	Bend	trans	-68.3	-6.6	-179.2	-83.5	-37.6	0	0	0	113.6	S261 P265	S261-N263 PolarHBondContact O-N 3.27Å; N263-P265 WeakPolarHBondContact O-CD 3.47Å
264	D	88.1	Confident	69.1	Low	51 Å²	51	76 Å²	76	27%	0.273	42%	0.419	S	S	.	.			trans	-80	114.8	175.7	172.6	31.8	0	0	0	111.4	T262 V266 T267 N268	T262-D264 PolarHBondContact O-N 3.5Å; T262-D264 VanDerWaalsContact O-N 3.11Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-V266 WeakPolarHBondContact OD1-CB 3.19Å; D264-V266 PolarHBondContact OD1-N 3.24Å; D264-T267 VanDerWaalsContact OD2-CB 3.23Å; D264-T267 WeakPolarHBondContact OD2-CB 3.42Å; D264-T267 PolarHBondContact OD2-N 2.69Å; D264-T267 PolarHBondContact OD2-OG1 2.92Å; D264-N268 PolarHBondContact O-N 3.22Å; D264-N268 PolarHBondContact O-ND2 3.43Å
265	P	89.3	Confident	71.8	Confident	11 Å²	11	78 Å²	78	7%	0.071	41%	0.408	C	S	.	.	H	α-helix	trans	-65.5	-25	175.7	29.5	-36.3	0	0	0	112.9	N263 N268 I269 V333 A341	N263-P265 WeakPolarHBondContact O-CD 3.47Å; P265-N268 PolarHBondContact O-N 3.27Å; P265-I269 WeakPolarHBondContact O-CB 3.45Å; P265-I269 WeakPolarHBondContact O-CD1 3.33Å; P265-I269 WeakPolarHBondContact O-CG1 3.46Å; P265-I269 PolarHBondContact O-N 3.19Å; P265-V333 HydrophobicContact CB-CG1 3.75Å; P265-V333 HydrophobicContact CB-CG2 4.37Å; P265-A341 HydrophobicContact CG-CB 3.51Å
266	V	90.6	Very high	74.6	Confident	13 Å²	13	72 Å²	72	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-69.2	-50.2	-179.2	-173.4	0	0	0	0	110.2	D264 N268 I269 C270 A341 V343 F440 T446	D264-V266 PolarHBondContact O-N 3.44Å; D264-V266 WeakPolarHBondContact OD1-CB 3.19Å; D264-V266 PolarHBondContact OD1-N 3.24Å; V266-N268 VanDerWaalsContact C-N 3.31Å; V266-N268 PolarHBondContact O-N 3.02Å; V266-I269 WeakPolarHBondContact O-CB 3.45Å; V266-I269 PolarHBondContact O-N 3.44Å; V266-I269 VanDerWaalsContact O-N 3.1Å; V266-C270 PolarHBondContact O-N 3.38Å; V266-C270 PolarHBondContact O-SG 3Å; V266-C270 VanDerWaalsContact O-SG 3.4Å; V266-A341 HydrophobicContact CG2-CB 4.21Å; V266-V343 HydrophobicContact CG2-CG1 4.09Å; V266-V343 HydrophobicContact CG2-CG2 4.17Å; V266-F440 HydrophobicContact CG1-CD2 3.93Å; V266-F440 HydrophobicContact CG1-CE2 3.67Å; V266-F440 HydrophobicContact CG1-CZ 4.05Å; V266-F440 HydrophobicContact CG2-CZ 4.25Å; V266-T446 HydrophobicContact CG1-CG2 4.11Å
267	T	89.3	Confident	77.3	Confident	24 Å²	24	65.8 Å²	65.8	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-53.7	-46.1	172.6	-63.6	0	0	0	0	111.6	D264 I269 C270 H271 P447	D264-T267 VanDerWaalsContact OD2-CB 3.23Å; D264-T267 WeakPolarHBondContact OD2-CB 3.42Å; D264-T267 PolarHBondContact OD2-N 2.69Å; D264-T267 PolarHBondContact OD2-OG1 2.92Å; T267-I269 VanDerWaalsContact C-N 3.35Å; T267-I269 PolarHBondContact O-N 3.12Å; T267-C270 PolarHBondContact O-N 2.89Å; T267-H271 PolarHBondContact O-N 2.93Å; T267-P447 HydrophobicContact CG2-CG 3.96Å
268	N	90.8	Very high	79.9	Confident	22 Å²	22	65 Å²	65	12%	0.118	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-38.7	177.7	-70.1	-54.1	0	0	0	112.7	T262 D264 P265 V266 A272 L327 L331	T262-N268 PolarHBondContact O-ND2 3.15Å; D264-N268 PolarHBondContact O-N 3.22Å; D264-N268 PolarHBondContact O-ND2 3.43Å; P265-N268 PolarHBondContact O-N 3.27Å; V266-N268 VanDerWaalsContact C-N 3.31Å; V266-N268 PolarHBondContact O-N 3.02Å; N268-A272 VanDerWaalsContact O-CB 3.27Å; N268-A272 WeakPolarHBondContact O-CB 3.36Å; N268-A272 PolarHBondContact O-N 3.45Å; N268-L327 HydrophobicContact CB-CD1 3.98Å; N268-L327 WeakPolarHBondContact O-CD1 3.46Å; N268-L331 HydrophobicContact CB-CD1 4.15Å; N268-L331 WeakPolarHBondContact OD1-CD1 3.23Å
269	I	92.6	Very high	82.2	Confident	51 Å²	51	58.9 Å²	58.9	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-43.9	174.6	-72.2	162.9	0	0	0	110.9	P265 V266 T267 A272 A273 L327 V333	P265-I269 WeakPolarHBondContact O-CB 3.45Å; P265-I269 WeakPolarHBondContact O-CD1 3.33Å; P265-I269 WeakPolarHBondContact O-CG1 3.46Å; P265-I269 PolarHBondContact O-N 3.19Å; V266-I269 WeakPolarHBondContact O-CB 3.45Å; V266-I269 PolarHBondContact O-N 3.44Å; V266-I269 VanDerWaalsContact O-N 3.1Å; T267-I269 VanDerWaalsContact C-N 3.35Å; T267-I269 PolarHBondContact O-N 3.12Å; I269-A272 PolarHBondContact O-N 3.47Å; I269-A273 WeakPolarHBondContact O-CB 3.29Å; I269-A273 PolarHBondContact O-N 3.45Å; I269-L327 HydrophobicContact CG1-CD1 4.27Å; I269-L327 HydrophobicContact CG1-CD2 3.99Å; I269-V333 HydrophobicContact CG1-CG2 4.36Å
270	C	91.3	Very high	84.8	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-49.7	178.4	-70.7	0	0	0	0	112	V266 T267 A272 A273 D274 L452	V266-C270 PolarHBondContact O-N 3.38Å; V266-C270 PolarHBondContact O-SG 3Å; V266-C270 VanDerWaalsContact O-SG 3.4Å; T267-C270 PolarHBondContact O-N 2.89Å; C270-A272 VanDerWaalsContact C-N 3.33Å; C270-A272 PolarHBondContact O-N 3.14Å; C270-A273 WeakPolarHBondContact O-CB 3.42Å; C270-A273 PolarHBondContact O-N 3.22Å; C270-A273 VanDerWaalsContact O-N 3.08Å; C270-D274 PolarHBondContact O-N 3.36Å; C270-L452 HydrophobicContact CB-CD2 4.15Å
271	H	89.5	Confident	87.1	Confident	99 Å²	99	45.1 Å²	45.1	46%	0.458	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-39.2	176.4	174.5	-157.2	0	0	0	111.9	T267 A273 K275	T267-H271 PolarHBondContact O-N 2.93Å; H271-A273 VanDerWaalsContact C-N 3.32Å; H271-A273 PolarHBondContact O-N 2.8Å; H271-K275 WeakPolarHBondContact O-CB 3.42Å; H271-K275 PolarHBondContact O-N 2.87Å
272	A	92.1	Very high	89.2	Confident	6 Å²	6	46.9 Å²	46.9	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-32.6	173.7	0	0	0	0	0	112.9	N268 I269 C270 Q276 L327 T329	N268-A272 VanDerWaalsContact O-CB 3.27Å; N268-A272 WeakPolarHBondContact O-CB 3.36Å; N268-A272 PolarHBondContact O-N 3.45Å; I269-A272 PolarHBondContact O-N 3.47Å; C270-A272 VanDerWaalsContact C-N 3.33Å; C270-A272 PolarHBondContact O-N 3.14Å; A272-Q276 WeakPolarHBondContact O-CB 3.2Å; A272-Q276 WeakPolarHBondContact O-CG 3.49Å; A272-Q276 PolarHBondContact O-N 3.43Å; A272-L327 HydrophobicContact CB-CB 3.91Å; A272-L327 HydrophobicContact CB-CD1 4.09Å; A272-L327 HydrophobicContact CB-CD2 4.39Å; A272-L327 HydrophobicContact CB-CG 4.36Å; A272-T329 HydrophobicContact CB-CG2 4.08Å
273	A	92.6	Very high	91.1	Very high	21 Å²	21	43.6 Å²	43.6	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-47.9	175.9	0	0	0	0	0	111.6	I269 C270 H271 K275 Q276 L277 L310 L452	I269-A273 WeakPolarHBondContact O-CB 3.29Å; I269-A273 PolarHBondContact O-N 3.45Å; C270-A273 WeakPolarHBondContact O-CB 3.42Å; C270-A273 PolarHBondContact O-N 3.22Å; C270-A273 VanDerWaalsContact O-N 3.08Å; H271-A273 VanDerWaalsContact C-N 3.32Å; H271-A273 PolarHBondContact O-N 2.8Å; A273-K275 PolarHBondContact O-N 2.73Å; A273-Q276 CarbonylContact O-C 3.49Å; A273-Q276 WeakPolarHBondContact O-CA 3.1Å; A273-Q276 PolarHBondContact O-N 3.17Å; A273-L277 PolarHBondContact O-N 2.85Å; A273-L310 HydrophobicContact CB-CD1 4.13Å; A273-L452 HydrophobicContact CB-CD2 4.48Å
274	D	89.6	Confident	92.5	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.112	18%	0.18	C	C	.	.	H	α-helix	trans	-57.1	-50.7	178.2	-171.1	87.9	0	0	0	111.6	C270 Q276 L277 F278 D449 F451 L452	C270-D274 PolarHBondContact O-N 3.36Å; D274-Q276 PolarHBondContact O-N 3.15Å; D274-Q276 VanDerWaalsContact O-N 3.12Å; D274-L277 WeakPolarHBondContact O-CB 3.38Å; D274-L277 PolarHBondContact O-N 3.14Å; D274-F278 WeakPolarHBondContact O-CD2 3.3Å; D274-D449 HydrophobicContact CB-CB 3.88Å; D274-D449 VanDerWaalsContact CG-CB 3.41Å; D274-D449 VanDerWaalsContact OD1-CB 3.29Å; D274-D449 WeakPolarHBondContact OD1-CB 3.46Å; D274-F451 WeakPolarHBondContact OD1-CB 3.16Å; D274-L452 HydrophobicContact CB-CB 4.4Å; D274-L452 PolarHBondContact OD1-N 2.8Å; D274-L452 VanDerWaalsContact OD1-N 3.08Å
275	K	88.9	Confident	93	Very high	109 Å²	109	37.7 Å²	37.7	47%	0.474	19%	0.188	S	C	.	.	H	α-helix	trans	-54.7	-34.4	173.9	-174.4	177.9	-179.3	-178.5	0	112.9	H271 A273 T279 T329	H271-K275 WeakPolarHBondContact O-CB 3.42Å; H271-K275 PolarHBondContact O-N 2.87Å; A273-K275 PolarHBondContact O-N 2.73Å; K275-T279 PolarHBondContact O-OG1 3.43Å; K275-T329 HydrophobicContact CD-CG2 4.49Å
276	Q	93.9	Very high	93.4	Very high	19 Å²	19	43.5 Å²	43.5	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-86	-15.5	179.9	-67.5	-79.9	-104	0	0	114	A272 A273 D274 T279 L280 L310 A328	A272-Q276 WeakPolarHBondContact O-CB 3.2Å; A272-Q276 WeakPolarHBondContact O-CG 3.49Å; A272-Q276 PolarHBondContact O-N 3.43Å; A273-Q276 CarbonylContact O-C 3.49Å; A273-Q276 WeakPolarHBondContact O-CA 3.1Å; A273-Q276 PolarHBondContact O-N 3.17Å; D274-Q276 PolarHBondContact O-N 3.15Å; D274-Q276 VanDerWaalsContact O-N 3.12Å; Q276-T279 PolarHBondContact NE2-OG1 2.95Å; Q276-T279 CarbonylContact O-C 3.58Å; Q276-T279 WeakPolarHBondContact O-CB 3.16Å; Q276-T279 PolarHBondContact O-N 3.49Å; Q276-L280 WeakPolarHBondContact O-CB 3.27Å; Q276-L280 PolarHBondContact O-N 2.91Å; Q276-L310 HydrophobicContact CB-CD1 4.41Å; Q276-L310 HydrophobicContact CB-CD2 3.65Å; Q276-A328 HydrophobicContact CG-CB 3.38Å
277	L	93.4	Very high	93.8	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-43.1	172.9	-73.8	172.9	0	0	0	111.2	A273 D274 T279 L280 V281 W306 L310 F451 L452 M455	A273-L277 PolarHBondContact O-N 2.85Å; D274-L277 WeakPolarHBondContact O-CB 3.38Å; D274-L277 PolarHBondContact O-N 3.14Å; L277-T279 VanDerWaalsContact C-N 3.35Å; L277-T279 PolarHBondContact O-N 3.26Å; L277-L280 WeakPolarHBondContact O-CB 3.35Å; L277-L280 PolarHBondContact O-N 3.5Å; L277-L280 VanDerWaalsContact O-N 3.14Å; L277-V281 PolarHBondContact O-N 3.49Å; L277-V281 VanDerWaalsContact O-N 3.16Å; L277-W306 HydrophobicContact CD2-CB 3.93Å; L277-W306 HydrophobicContact CD2-CD2 4.03Å; L277-W306 HydrophobicContact CD2-CE3 3.68Å; L277-W306 HydrophobicContact CD2-CG 4.17Å; L277-L310 HydrophobicContact CD2-CD1 4.11Å; L277-L310 HydrophobicContact CG-CD1 4.37Å; L277-F451 HydrophobicContact CB-CD1 3.56Å; L277-F451 HydrophobicContact CB-CE1 3.42Å; L277-F451 VanDerWaalsContact CB-CE1 3.42Å; L277-F451 HydrophobicContact CB-CZ 4.41Å; L277-F451 HydrophobicContact CD1-CD1 3.91Å; L277-F451 HydrophobicContact CD1-CE1 4.34Å; L277-F451 HydrophobicContact CD1-CG 4.29Å; L277-F451 HydrophobicContact CG-CD1 4.4Å; L277-F451 HydrophobicContact CG-CE1 4.47Å; L277-L452 HydrophobicContact CD1-CB 4.22Å; L277-L452 HydrophobicContact CD1-CD1 4.2Å; L277-M455 HydrophobicContact CD1-CG 3.99Å; L277-M455 HydrophobicContact CD2-CE 4.44Å; L277-M455 HydrophobicContact CD2-CG 4.38Å
278	F	90.9	Very high	94.1	Very high	122 Å²	122	42.8 Å²	42.8	54%	0.535	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-44.6	173.6	-64.3	-81.1	0	0	0	111.9	D274 L280 V281 E282 F451	D274-F278 WeakPolarHBondContact O-CD2 3.3Å; F278-L280 VanDerWaalsContact C-N 3.26Å; F278-L280 PolarHBondContact O-N 3.44Å; F278-V281 PolarHBondContact O-N 2.93Å; F278-E282 PolarHBondContact O-N 3.04Å; F278-F451 HydrophobicContact CD1-CD1 4.38Å; F278-F451 HydrophobicContact CD1-CE1 4.19Å; F278-F451 HydrophobicContact CD2-CD1 4.1Å; F278-F451 HydrophobicContact CD2-CE1 4.44Å; F278-F451 AromaticContact CE1-CD1 3.99Å; F278-F451 HydrophobicContact CE1-CD1 3.99Å; F278-F451 HydrophobicContact CE1-CE1 4.13Å; F278-F451 HydrophobicContact CE2-CB 4.46Å; F278-F451 AromaticContact CE2-CD1 3.69Å; F278-F451 HydrophobicContact CE2-CD1 3.69Å; F278-F451 HydrophobicContact CE2-CE1 4.38Å; F278-F451 HydrophobicContact CE2-CG 4.47Å; F278-F451 HydrophobicContact CG-CD1 4.43Å; F278-F451 HydrophobicContact CG-CE1 4.34Å; F278-F451 HydrophobicContact CZ-CB 4.25Å; F278-F451 AromaticContact CZ-CD1 3.63Å; F278-F451 HydrophobicContact CZ-CD1 3.63Å; F278-F451 HydrophobicContact CZ-CE1 4.23Å; F278-F451 HydrophobicContact CZ-CG 4.16Å
279	T	94.4	Very high	94.4	Very high	41 Å²	41	43.7 Å²	43.7	25%	0.252	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-33	174.9	-54.2	0	0	0	0	112.4	V246 K275 Q276 L277 E282 W283	V246-T279 HydrophobicContact CB-CG2 3.65Å; V246-T279 HydrophobicContact CG1-CG2 4.21Å; K275-T279 PolarHBondContact O-OG1 3.43Å; Q276-T279 PolarHBondContact NE2-OG1 2.95Å; Q276-T279 CarbonylContact O-C 3.58Å; Q276-T279 WeakPolarHBondContact O-CB 3.16Å; Q276-T279 PolarHBondContact O-N 3.49Å; L277-T279 VanDerWaalsContact C-N 3.35Å; L277-T279 PolarHBondContact O-N 3.26Å; T279-E282 PolarHBondContact O-N 3.19Å; T279-W283 PolarHBondContact O-N 3.06Å
280	L	96.9	Very high	94.7	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-69.9	-36.3	178.3	-177	66.1	0	0	0	112.5	Q276 L277 F278 W283 A284 L302 W306 L309 L310	Q276-L280 WeakPolarHBondContact O-CB 3.27Å; Q276-L280 PolarHBondContact O-N 2.91Å; L277-L280 WeakPolarHBondContact O-CB 3.35Å; L277-L280 PolarHBondContact O-N 3.5Å; L277-L280 VanDerWaalsContact O-N 3.14Å; F278-L280 VanDerWaalsContact C-N 3.26Å; F278-L280 PolarHBondContact O-N 3.44Å; L280-W283 HydrophobicContact CD1-CD2 4.31Å; L280-W283 HydrophobicContact CD1-CE3 3.6Å; L280-W283 HydrophobicContact CD1-CZ3 4.13Å; L280-W283 WeakPolarHBondContact O-CB 3.43Å; L280-W283 PolarHBondContact O-N 2.91Å; L280-A284 WeakPolarHBondContact O-CB 3.43Å; L280-A284 PolarHBondContact O-N 3.03Å; L280-L302 HydrophobicContact CG-CD2 4.32Å; L280-W306 HydrophobicContact CD2-CB 3.94Å; L280-L309 HydrophobicContact CD1-CB 3.74Å; L280-L309 HydrophobicContact CD1-CD1 4.09Å; L280-L309 HydrophobicContact CD1-CG 4.42Å; L280-L309 HydrophobicContact CD2-CB 4.02Å; L280-L309 HydrophobicContact CD2-CD1 4.08Å; L280-L309 HydrophobicContact CG-CD1 4.48Å; L280-L310 HydrophobicContact CB-CD2 4.34Å; L280-L310 HydrophobicContact CD2-CD2 4.37Å; L280-L310 HydrophobicContact CD2-CG 4.42Å
281	V	96.1	Very high	95	Very high	40 Å²	40	44 Å²	44	24%	0.242	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-44.2	172.9	177.2	0	0	0	0	110.5	L277 F278 W283 A284 K285 L302	L277-V281 PolarHBondContact O-N 3.49Å; L277-V281 VanDerWaalsContact O-N 3.16Å; F278-V281 PolarHBondContact O-N 2.93Å; V281-W283 VanDerWaalsContact C-N 3.33Å; V281-W283 PolarHBondContact O-N 2.91Å; V281-A284 PolarHBondContact O-N 3.47Å; V281-K285 WeakPolarHBondContact O-CG 3.2Å; V281-K285 PolarHBondContact O-N 3.34Å; V281-K285 VanDerWaalsContact O-N 3.08Å; V281-L302 HydrophobicContact CG2-CD1 4.23Å
282	E	96.1	Very high	95.3	Very high	83 Å²	83	45 Å²	45	39%	0.388	22%	0.223	S	C	.	.	H	α-helix	trans	-69.5	-28.2	177.3	-68.7	-58.2	118.8	0	0	113.5	F278 T279 K285 R286	F278-E282 PolarHBondContact O-N 3.04Å; T279-E282 PolarHBondContact O-N 3.19Å; E282-K285 IonicContact OE1-NZ 2.87Å; E282-K285 PolarHBondContact OE1-NZ 3.15Å; E282-R286 VanDerWaalsContact O-CD 3.29Å; E282-R286 WeakPolarHBondContact O-CD 3.48Å; E282-R286 VanDerWaalsContact O-CG 3.32Å; E282-R286 WeakPolarHBondContact O-CG 3.46Å; E282-R286 PolarHBondContact O-NE 2.98Å
283	W	98.3	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-51	167.8	172.5	82.2	0	0	0	111.1	E243 V246 T279 L280 V281 K285 R286 I287 L309 R372 L376	E243-W283 PolarHBondContact OE1-NE1 2.78Å; V246-W283 HydrophobicContact CB-CB 4.41Å; V246-W283 HydrophobicContact CG1-CB 3.82Å; V246-W283 HydrophobicContact CG2-CB 4.09Å; V246-W283 HydrophobicContact CG2-CG 4.26Å; T279-W283 PolarHBondContact O-N 3.06Å; L280-W283 HydrophobicContact CD1-CD2 4.31Å; L280-W283 HydrophobicContact CD1-CE3 3.6Å; L280-W283 HydrophobicContact CD1-CZ3 4.13Å; L280-W283 WeakPolarHBondContact O-CB 3.43Å; L280-W283 PolarHBondContact O-N 2.91Å; V281-W283 VanDerWaalsContact C-N 3.33Å; V281-W283 PolarHBondContact O-N 2.91Å; W283-K285 PolarHBondContact O-N 3.46Å; W283-R286 WeakPolarHBondContact O-CB 3.49Å; W283-R286 PolarHBondContact O-N 3.1Å; W283-I287 HydrophobicContact CD2-CD1 4.5Å; W283-I287 HydrophobicContact CD2-CG1 4.31Å; W283-I287 HydrophobicContact CH2-CD1 4.37Å; W283-I287 HydrophobicContact CH2-CG1 4.11Å; W283-I287 HydrophobicContact CZ2-CD1 3.71Å; W283-I287 HydrophobicContact CZ2-CG1 3.91Å; W283-I287 HydrophobicContact CZ3-CG1 4.42Å; W283-I287 PolarHBondContact O-N 2.83Å; W283-L309 HydrophobicContact CH2-CD2 3.8Å; W283-L309 HydrophobicContact CZ3-CD1 4.22Å; W283-L309 HydrophobicContact CZ3-CD2 3.83Å; W283-R372 VanDerWaalsContact CD2-NH2 3.32Å; W283-R372 HydrophobicContact CH2-CB 3.63Å; W283-R372 HydrophobicContact CZ2-CB 3.45Å; W283-R372 VanDerWaalsContact CZ2-CB 3.45Å; W283-L376 HydrophobicContact CH2-CB 4.17Å; W283-L376 HydrophobicContact CH2-CD2 4.06Å; W283-L376 HydrophobicContact CZ3-CB 4.18Å; W283-L376 HydrophobicContact CZ3-CD1 4.29Å; W283-L376 HydrophobicContact CZ3-CD2 3.78Å; W283-L376 HydrophobicContact CZ3-CG 4.31Å
284	A	98.5	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-42.4	-175.8	0	0	0	0	0	112	L280 V281 R286 I287 F290 L302 L376	L280-A284 WeakPolarHBondContact O-CB 3.43Å; L280-A284 PolarHBondContact O-N 3.03Å; V281-A284 PolarHBondContact O-N 3.47Å; A284-R286 PolarHBondContact O-N 3.43Å; A284-R286 VanDerWaalsContact O-N 3.08Å; A284-I287 WeakPolarHBondContact O-CB 3.5Å; A284-I287 PolarHBondContact O-N 2.79Å; A284-F290 VanDerWaalsContact C-CD1 3.44Å; A284-F290 HydrophobicContact CB-CD1 3.82Å; A284-F290 HydrophobicContact CB-CE1 3.64Å; A284-F290 HydrophobicContact CB-CE2 4.39Å; A284-F290 HydrophobicContact CB-CG 4.26Å; A284-F290 HydrophobicContact CB-CZ 3.95Å; A284-F290 VanDerWaalsContact O-CB 3.28Å; A284-F290 WeakPolarHBondContact O-CB 3.33Å; A284-F290 VanDerWaalsContact O-CD1 3.29Å; A284-F290 WeakPolarHBondContact O-CD1 3.38Å; A284-F290 WeakPolarHBondContact O-CG 3.5Å; A284-L302 HydrophobicContact CB-CD2 3.89Å; A284-L376 HydrophobicContact CB-CD1 4.3Å; A284-L376 HydrophobicContact CB-CD2 4.16Å
285	K	97.6	Very high	96.1	Very high	99 Å²	99	52.2 Å²	52.2	43%	0.43	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.7	174.1	-72.1	173.4	-174.9	167.9	0	114.8	V281 E282 W283 S291	V281-K285 WeakPolarHBondContact O-CG 3.2Å; V281-K285 PolarHBondContact O-N 3.34Å; V281-K285 VanDerWaalsContact O-N 3.08Å; E282-K285 IonicContact OE1-NZ 2.87Å; E282-K285 PolarHBondContact OE1-NZ 3.15Å; W283-K285 PolarHBondContact O-N 3.46Å; K285-S291 PolarHBondContact O-OG 3.39Å
286	R	97.7	Very high	96.4	Very high	132 Å²	132	53 Å²	53	50%	0.498	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-14.4	178.8	-65.4	167.6	-173.9	-86.2	-7.9	113.1	A242 E282 W283 A284	A242-R286 HydrophobicContact CB-CB 3.58Å; E282-R286 VanDerWaalsContact O-CD 3.29Å; E282-R286 WeakPolarHBondContact O-CD 3.48Å; E282-R286 VanDerWaalsContact O-CG 3.32Å; E282-R286 WeakPolarHBondContact O-CG 3.46Å; E282-R286 PolarHBondContact O-NE 2.98Å; W283-R286 WeakPolarHBondContact O-CB 3.49Å; W283-R286 PolarHBondContact O-N 3.1Å; A284-R286 PolarHBondContact O-N 3.43Å; A284-R286 VanDerWaalsContact O-N 3.08Å
287	I	98.3	Very high	96.6	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	26%	0.261	C	S	.	.	S	Bend	trans	-70.9	132	172.8	-58.7	-57.8	0	0	0	108.5	I239 A242 W283 A284 H289 F290 A373 L376 F377	I239-I287 HydrophobicContact CG1-CD1 4.47Å; I239-I287 HydrophobicContact CG2-CD1 4.48Å; A242-I287 HydrophobicContact CB-CD1 3.74Å; W283-I287 HydrophobicContact CD2-CD1 4.5Å; W283-I287 HydrophobicContact CD2-CG1 4.31Å; W283-I287 HydrophobicContact CH2-CD1 4.37Å; W283-I287 HydrophobicContact CH2-CG1 4.11Å; W283-I287 HydrophobicContact CZ2-CD1 3.71Å; W283-I287 HydrophobicContact CZ2-CG1 3.91Å; W283-I287 HydrophobicContact CZ3-CG1 4.42Å; W283-I287 PolarHBondContact O-N 2.83Å; A284-I287 WeakPolarHBondContact O-CB 3.5Å; A284-I287 PolarHBondContact O-N 2.79Å; I287-H289 PolarHBondContact O-N 3.36Å; I287-F290 HydrophobicContact CB-CB 4.37Å; I287-F290 PolarHBondContact O-N 3.5Å; I287-A373 HydrophobicContact CG2-CB 4.27Å; I287-L376 HydrophobicContact CB-CD2 4.36Å; I287-L376 HydrophobicContact CG1-CD2 4.24Å; I287-L376 HydrophobicContact CG2-CD2 4.42Å; I287-F377 HydrophobicContact CG2-CE2 3.66Å; I287-F377 HydrophobicContact CG2-CZ 3.8Å
288	P	97.5	Very high	96.8	Very high	19 Å²	19	53.3 Å²	53.3	12%	0.123	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	140	179.6	-26.7	33.9	0	0	0	112.5	M234 P235 R238 F290	M234-P288 HydrophobicContact CE-CB 4.18Å; M234-P288 HydrophobicContact SD-CB 3.78Å; M234-P288 HydrophobicContact SD-CG 3.87Å; P235-P288 HydrophobicContact CG-CG 4.35Å; R238-P288 HydrophobicContact CB-CG 3.86Å; P288-F290 PolarHBondContact O-N 3.32Å
289	H	97.1	Very high	97	Very high	42 Å²	42	50.5 Å²	50.5	19%	0.194	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-6.7	-178.2	-47.3	-63.4	0	0	0	118.6	D233 I287 S291 D292 L293 L393	D233-H289 PolarHBondContact O-NE2 3.36Å; D233-H289 IonicContact OD1-CE1 2.68Å; D233-H289 PolarHBondContact OD1-CE1 3.06Å; D233-H289 VanDerWaalsContact OD1-CE1 3.25Å; D233-H289 IonicContact OD1-NE2 2.74Å; D233-H289 PolarHBondContact OD1-NE2 2.93Å; D233-H289 IonicContact OD2-CE1 3.03Å; D233-H289 IonicContact OD2-NE2 3.74Å; D233-H289 PolarHBondContact OD2-NE2 2.66Å; I287-H289 PolarHBondContact O-N 3.36Å; H289-S291 PolarHBondContact O-N 3.03Å; H289-D292 WeakPolarHBondContact CA-OD2 3.49Å; H289-D292 IonicContact CG-OD2 2.68Å; H289-D292 IonicContact ND1-OD2 3.26Å; H289-D292 PolarHBondContact ND1-OD2 2.91Å; H289-D292 WeakPolarHBondContact O-CB 3.42Å; H289-D292 PolarHBondContact O-N 3.38Å; H289-L293 PolarHBondContact O-N 3.39Å; H289-L393 HydrophobicContact CB-CD1 4.02Å; H289-L393 HydrophobicContact CB-CD2 3.57Å; H289-L393 HydrophobicContact CB-CG 4.47Å
290	F	98.1	Very high	97.1	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.5	178.3	178.9	-95.4	0	0	0	112	A284 I287 P288 D292 Q298 L301 L302 L376 F377	A284-F290 VanDerWaalsContact C-CD1 3.44Å; A284-F290 HydrophobicContact CB-CD1 3.82Å; A284-F290 HydrophobicContact CB-CE1 3.64Å; A284-F290 HydrophobicContact CB-CE2 4.39Å; A284-F290 HydrophobicContact CB-CG 4.26Å; A284-F290 HydrophobicContact CB-CZ 3.95Å; A284-F290 VanDerWaalsContact O-CB 3.28Å; A284-F290 WeakPolarHBondContact O-CB 3.33Å; A284-F290 VanDerWaalsContact O-CD1 3.29Å; A284-F290 WeakPolarHBondContact O-CD1 3.38Å; A284-F290 WeakPolarHBondContact O-CG 3.5Å; I287-F290 HydrophobicContact CB-CB 4.37Å; I287-F290 PolarHBondContact O-N 3.5Å; P288-F290 PolarHBondContact O-N 3.32Å; F290-D292 VanDerWaalsContact C-N 3.28Å; F290-D292 PolarHBondContact O-N 2.84Å; F290-Q298 HydrophobicContact CD1-CG 4.29Å; F290-Q298 HydrophobicContact CE1-CB 3.95Å; F290-Q298 HydrophobicContact CE1-CG 3.78Å; F290-Q298 HydrophobicContact CE2-CB 4.3Å; F290-Q298 HydrophobicContact CE2-CG 4.23Å; F290-Q298 HydrophobicContact CZ-CB 3.6Å; F290-Q298 HydrophobicContact CZ-CG 3.75Å; F290-Q298 VanDerWaalsContact O-CG 3.3Å; F290-Q298 WeakPolarHBondContact O-CG 3.2Å; F290-Q298 PolarHBondContact O-NE2 3.03Å; F290-L301 HydrophobicContact CE2-CB 4.33Å; F290-L301 HydrophobicContact CE2-CD1 4.25Å; F290-L302 HydrophobicContact CE1-CD1 4.37Å; F290-L302 HydrophobicContact CZ-CD1 3.88Å; F290-L302 HydrophobicContact CZ-CG 3.92Å; F290-L376 HydrophobicContact CD2-CD1 4.17Å; F290-L376 HydrophobicContact CD2-CD2 3.67Å; F290-L376 HydrophobicContact CD2-CG 4.02Å; F290-L376 HydrophobicContact CE2-CD1 3.78Å; F290-L376 HydrophobicContact CE2-CD2 4.14Å; F290-L376 HydrophobicContact CE2-CG 4.11Å; F290-L376 HydrophobicContact CG-CD2 4.2Å; F290-L376 HydrophobicContact CZ-CD1 4.47Å; F290-F377 HydrophobicContact CB-CE1 4.2Å; F290-F377 HydrophobicContact CB-CZ 4.14Å; F290-F377 HydrophobicContact CD2-CE1 4.08Å
291	S	97.2	Very high	97.2	Very high	60 Å²	60	49.6 Å²	49.6	42%	0.42	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.4	177.5	-59.8	0	0	0	0	114.1	K285 H289 Q298	K285-S291 PolarHBondContact O-OG 3.39Å; H289-S291 PolarHBondContact O-N 3.03Å; S291-Q298 PolarHBondContact O-NE2 3.38Å
292	D	96.6	Very high	97.2	Very high	119 Å²	119	48.6 Å²	48.6	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.7	177.8	-56.9	-20	0	0	0	111.1	H289 F290	H289-D292 WeakPolarHBondContact CA-OD2 3.49Å; H289-D292 IonicContact CG-OD2 2.68Å; H289-D292 IonicContact ND1-OD2 3.26Å; H289-D292 PolarHBondContact ND1-OD2 2.91Å; H289-D292 WeakPolarHBondContact O-CB 3.42Å; H289-D292 PolarHBondContact O-N 3.38Å; F290-D292 VanDerWaalsContact C-N 3.28Å; F290-D292 PolarHBondContact O-N 2.84Å
293	L	96.9	Very high	97.1	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	24%	0.237	C	C	.	.	S	Bend	trans	-62.6	158.2	173.3	-63.2	176.1	0	0	0	112	H289 D297 Q298 L301 F377 E389 V390 L393	H289-L293 PolarHBondContact O-N 3.39Å; L293-D297 HydrophobicContact CB-CB 4.47Å; L293-Q298 HydrophobicContact CB-CG 4.17Å; L293-Q298 PolarHBondContact O-NE2 2.69Å; L293-L301 HydrophobicContact CD1-CD1 3.67Å; L293-F377 HydrophobicContact CD1-CD1 4.4Å; L293-F377 HydrophobicContact CD1-CE1 4.13Å; L293-E389 HydrophobicContact CD2-CG 3.94Å; L293-V390 HydrophobicContact CD1-CG2 4.49Å; L293-L393 HydrophobicContact CD1-CD1 4.11Å; L293-L393 HydrophobicContact CD2-CD1 3.95Å; L293-L393 HydrophobicContact CG-CD1 4.15Å
294	T	97.1	Very high	97	Very high	66 Å²	66	49 Å²	49	41%	0.405	25%	0.252	S	S	.	.			trans	-60.1	148.2	175.1	82.7	0	0	0	0	111.5	E296 D297 Q298	T294-E296 PolarHBondContact O-N 3.33Å; T294-D297 WeakPolarHBondContact CG2-OD2 3.25Å; T294-D297 PolarHBondContact O-N 3.11Å; T294-D297 VanDerWaalsContact O-N 3.11Å; T294-D297 PolarHBondContact OG1-N 2.65Å; T294-D297 VanDerWaalsContact OG1-N 3.11Å; T294-D297 PolarHBondContact OG1-OD2 3.01Å; T294-Q298 WeakPolarHBondContact O-CG 3.24Å; T294-Q298 PolarHBondContact O-N 3.48Å
295	L	96.7	Very high	96.9	Very high	125 Å²	125	49.1 Å²	49.1	65%	0.654	25%	0.253	S	S	*	.	H	α-helix	trans	-60.3	-31	178.9	-175.4	64.3	0	0	0	112.4	V299	L295-V299 WeakPolarHBondContact O-CG2 3.25Å; L295-V299 PolarHBondContact O-N 3.19Å; L295-V299 VanDerWaalsContact O-N 3.13Å
296	E	95.9	Very high	96.8	Very high	125 Å²	125	45 Å²	45	58%	0.584	24%	0.235	S	C	*	.	H	α-helix	trans	-66	-47.6	174.4	-176.1	167.1	-165.2	0	0	111	T294 Q298 V299 I300	T294-E296 PolarHBondContact O-N 3.33Å; E296-Q298 PolarHBondContact O-N 3.45Å; E296-V299 PolarHBondContact O-N 3.47Å; E296-I300 HydrophobicContact CG-CD1 3.95Å; E296-I300 VanDerWaalsContact O-CG1 3.29Å; E296-I300 WeakPolarHBondContact O-CG1 3.32Å; E296-I300 PolarHBondContact O-N 3.2Å
297	D	97.1	Very high	96.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-43.6	175.7	-65	-50.3	0	0	0	111.8	L293 T294 V299 I300 L301 L384 S385	L293-D297 HydrophobicContact CB-CB 4.47Å; T294-D297 WeakPolarHBondContact CG2-OD2 3.25Å; T294-D297 PolarHBondContact O-N 3.11Å; T294-D297 VanDerWaalsContact O-N 3.11Å; T294-D297 PolarHBondContact OG1-N 2.65Å; T294-D297 VanDerWaalsContact OG1-N 3.11Å; T294-D297 PolarHBondContact OG1-OD2 3.01Å; D297-V299 VanDerWaalsContact C-N 3.3Å; D297-V299 PolarHBondContact O-N 3.38Å; D297-I300 PolarHBondContact O-N 2.87Å; D297-I300 VanDerWaalsContact O-N 3.15Å; D297-L301 WeakPolarHBondContact O-CB 3.29Å; D297-L301 VanDerWaalsContact O-CG 3.27Å; D297-L301 WeakPolarHBondContact O-CG 3.28Å; D297-L301 PolarHBondContact O-N 3.49Å; D297-L384 HydrophobicContact CB-CD2 3.9Å; D297-L384 WeakPolarHBondContact OD1-CA 3.49Å; D297-L384 VanDerWaalsContact OD1-CD2 3.28Å; D297-L384 WeakPolarHBondContact OD1-CD2 3.3Å; D297-S385 PolarHBondContact OD1-N 3.17Å; D297-S385 WeakPolarHBondContact OD2-CB 3.48Å; D297-S385 PolarHBondContact OD2-OG 2.89Å
298	Q	97.8	Very high	96.7	Very high	27 Å²	27	39.5 Å²	39.5	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-45.2	175.5	-71.2	179.8	40.3	0	0	111.8	F290 S291 L293 T294 E296 L302	F290-Q298 HydrophobicContact CD1-CG 4.29Å; F290-Q298 HydrophobicContact CE1-CB 3.95Å; F290-Q298 HydrophobicContact CE1-CG 3.78Å; F290-Q298 HydrophobicContact CE2-CB 4.3Å; F290-Q298 HydrophobicContact CE2-CG 4.23Å; F290-Q298 HydrophobicContact CZ-CB 3.6Å; F290-Q298 HydrophobicContact CZ-CG 3.75Å; F290-Q298 VanDerWaalsContact O-CG 3.3Å; F290-Q298 WeakPolarHBondContact O-CG 3.2Å; F290-Q298 PolarHBondContact O-NE2 3.03Å; S291-Q298 PolarHBondContact O-NE2 3.38Å; L293-Q298 HydrophobicContact CB-CG 4.17Å; L293-Q298 PolarHBondContact O-NE2 2.69Å; T294-Q298 WeakPolarHBondContact O-CG 3.24Å; T294-Q298 PolarHBondContact O-N 3.48Å; E296-Q298 PolarHBondContact O-N 3.45Å; Q298-L302 WeakPolarHBondContact O-CB 3.43Å; Q298-L302 WeakPolarHBondContact O-CG 3.44Å; Q298-L302 PolarHBondContact O-N 2.98Å; Q298-L302 VanDerWaalsContact O-N 3.12Å
299	V	96.2	Very high	96.8	Very high	63 Å²	63	38.6 Å²	38.6	38%	0.382	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-41.4	177.2	168.7	0	0	0	0	111.5	L295 E296 D297 R303	L295-V299 WeakPolarHBondContact O-CG2 3.25Å; L295-V299 PolarHBondContact O-N 3.19Å; L295-V299 VanDerWaalsContact O-N 3.13Å; E296-V299 PolarHBondContact O-N 3.47Å; D297-V299 VanDerWaalsContact C-N 3.3Å; D297-V299 PolarHBondContact O-N 3.38Å; V299-R303 HydrophobicContact CG1-CG 4.41Å; V299-R303 VanDerWaalsContact O-CB 3.28Å; V299-R303 WeakPolarHBondContact O-CB 3.48Å; V299-R303 WeakPolarHBondContact O-CG 3.4Å; V299-R303 PolarHBondContact O-N 2.95Å
300	I	96.3	Very high	96.8	Very high	26 Å²	26	37.3 Å²	37.3	13%	0.133	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-46.1	177.9	-72.3	167.9	0	0	0	111.3	E296 D297 R303 A304 A381 K382 G383 L384	E296-I300 HydrophobicContact CG-CD1 3.95Å; E296-I300 VanDerWaalsContact O-CG1 3.29Å; E296-I300 WeakPolarHBondContact O-CG1 3.32Å; E296-I300 PolarHBondContact O-N 3.2Å; D297-I300 PolarHBondContact O-N 2.87Å; D297-I300 VanDerWaalsContact O-N 3.15Å; I300-R303 PolarHBondContact O-N 3.28Å; I300-A304 VanDerWaalsContact O-CB 3.27Å; I300-A304 WeakPolarHBondContact O-CB 3.44Å; I300-A304 PolarHBondContact O-N 2.61Å; I300-A381 HydrophobicContact CG2-CB 3.75Å; I300-K382 WeakPolarHBondContact CG2-O 3.41Å; I300-G383 VanDerWaalsContact CD1-C 3.49Å; I300-G383 WeakPolarHBondContact CD1-O 3.4Å; I300-L384 HydrophobicContact CB-CD2 4.17Å; I300-L384 HydrophobicContact CG2-CD2 3.74Å; I300-L384 HydrophobicContact CG2-CG 4.03Å
301	L	97.8	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-45.3	179.5	-67.3	178.4	0	0	0	111.8	F290 L293 D297 A304 G305 L376 F377 N378 A381 L384 V390	F290-L301 HydrophobicContact CE2-CB 4.33Å; F290-L301 HydrophobicContact CE2-CD1 4.25Å; L293-L301 HydrophobicContact CD1-CD1 3.67Å; D297-L301 WeakPolarHBondContact O-CB 3.29Å; D297-L301 VanDerWaalsContact O-CG 3.27Å; D297-L301 WeakPolarHBondContact O-CG 3.28Å; D297-L301 PolarHBondContact O-N 3.49Å; L301-A304 PolarHBondContact O-N 3.25Å; L301-G305 PolarHBondContact O-N 3.23Å; L301-L376 WeakPolarHBondContact CD2-O 3.37Å; L301-F377 HydrophobicContact CD1-CD1 4.37Å; L301-N378 HydrophobicContact CD2-CB 4.48Å; L301-A381 HydrophobicContact CD2-CB 4.24Å; L301-L384 HydrophobicContact CD2-CD1 4.16Å; L301-L384 HydrophobicContact CD2-CD2 3.87Å; L301-L384 HydrophobicContact CG-CD2 4.03Å; L301-V390 HydrophobicContact CD1-CG1 4.27Å; L301-V390 HydrophobicContact CD1-CG2 4.23Å; L301-V390 HydrophobicContact CD2-CG1 3.88Å
302	L	97.2	Very high	96.9	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-46.7	175.2	-75.4	167.7	0	0	0	111.7	L280 V281 A284 F290 Q298 A304 G305 W306 L376	L280-L302 HydrophobicContact CG-CD2 4.32Å; V281-L302 HydrophobicContact CG2-CD1 4.23Å; A284-L302 HydrophobicContact CB-CD2 3.89Å; F290-L302 HydrophobicContact CE1-CD1 4.37Å; F290-L302 HydrophobicContact CZ-CD1 3.88Å; F290-L302 HydrophobicContact CZ-CG 3.92Å; Q298-L302 WeakPolarHBondContact O-CB 3.43Å; Q298-L302 WeakPolarHBondContact O-CG 3.44Å; Q298-L302 PolarHBondContact O-N 2.98Å; Q298-L302 VanDerWaalsContact O-N 3.12Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 3.01Å; L302-G305 PolarHBondContact O-N 3.38Å; L302-W306 WeakPolarHBondContact O-CB 3.29Å; L302-W306 PolarHBondContact O-N 3.3Å; L302-L376 HydrophobicContact CD2-CD1 4.1Å
303	R	94.3	Very high	96.9	Very high	53 Å²	53	30.3 Å²	30.3	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-32.4	176.2	-78.7	175.9	162.8	-85.8	-1	113.2	V299 I300 E454 M455 E457	V299-R303 HydrophobicContact CG1-CG 4.41Å; V299-R303 VanDerWaalsContact O-CB 3.28Å; V299-R303 WeakPolarHBondContact O-CB 3.48Å; V299-R303 WeakPolarHBondContact O-CG 3.4Å; V299-R303 PolarHBondContact O-N 2.95Å; I300-R303 PolarHBondContact O-N 3.28Å; R303-E454 VanDerWaalsContact CZ-O 3.28Å; R303-E454 IonicContact CZ-OE1 2.68Å; R303-E454 PolarHBondContact NH1-O 3.03Å; R303-E454 PolarHBondContact NH2-O 3.26Å; R303-E454 IonicContact NH2-OE1 3.11Å; R303-E454 PolarHBondContact NH2-OE1 3.08Å; R303-M455 HydrophobicContact CB-CE 4.47Å; R303-M455 HydrophobicContact CG-CE 4.01Å; R303-M455 HydrophobicContact CG-SD 3.81Å; R303-E457 PolarHBondContact NH1-O 3.4Å
304	A	94.6	Very high	96.9	Very high	39 Å²	39	31.7 Å²	31.7	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-77.4	-28.8	178	0	0	0	0	0	114.1	I300 L301 L302 A381	I300-A304 VanDerWaalsContact O-CB 3.27Å; I300-A304 WeakPolarHBondContact O-CB 3.44Å; I300-A304 PolarHBondContact O-N 2.61Å; L301-A304 PolarHBondContact O-N 3.25Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 3.01Å; A304-A381 HydrophobicContact CB-CB 3.91Å
305	G	96.7	Very high	97	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-116.1	-9.4	-170	0	0	0	0	0	117	L301 L302 N307 E308 L309	L301-G305 PolarHBondContact O-N 3.23Å; L302-G305 PolarHBondContact O-N 3.38Å; G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 2.99Å; G305-N307 VanDerWaalsContact O-N 3.14Å; G305-E308 PolarHBondContact O-N 3.37Å; G305-E308 VanDerWaalsContact O-N 3.14Å; G305-L309 VanDerWaalsContact O-CG 3.26Å; G305-L309 WeakPolarHBondContact O-CG 3.35Å; G305-L309 PolarHBondContact O-N 3.38Å
306	W	96.7	Very high	97	Very high	12 Å²	12	23.7 Å²	23.7	5%	0.045	12%	0.124	C	C	.	.	H	α-helix	trans	-52	-43.4	-167.6	72.2	-86.8	0	0	0	114.8	L277 L280 L302 L309 L310 L434 L437 L452 M455 L456	L277-W306 HydrophobicContact CD2-CB 3.93Å; L277-W306 HydrophobicContact CD2-CD2 4.03Å; L277-W306 HydrophobicContact CD2-CE3 3.68Å; L277-W306 HydrophobicContact CD2-CG 4.17Å; L280-W306 HydrophobicContact CD2-CB 3.94Å; L302-W306 WeakPolarHBondContact O-CB 3.29Å; L302-W306 PolarHBondContact O-N 3.3Å; W306-L309 PolarHBondContact O-N 3.39Å; W306-L310 HydrophobicContact CE3-CD1 3.95Å; W306-L310 HydrophobicContact CZ3-CD1 4.23Å; W306-L310 WeakPolarHBondContact O-CB 3.43Å; W306-L310 WeakPolarHBondContact O-CG 3.29Å; W306-L310 PolarHBondContact O-N 3.43Å; W306-L434 HydrophobicContact CH2-CD2 4.47Å; W306-L434 HydrophobicContact CZ2-CD2 3.71Å; W306-L437 HydrophobicContact CH2-CD1 3.74Å; W306-L437 HydrophobicContact CZ2-CD1 4.39Å; W306-L452 HydrophobicContact CH2-CD1 3.36Å; W306-L452 HydrophobicContact CZ2-CD1 4.03Å; W306-L452 HydrophobicContact CZ3-CD1 3.64Å; W306-M455 HydrophobicContact CB-CE 3.6Å; W306-M455 VanDerWaalsContact CD1-CE 3.47Å; W306-M455 HydrophobicContact CD2-CE 4.5Å; W306-M455 HydrophobicContact CG-CE 3.56Å; W306-L456 HydrophobicContact CZ2-CD2 4.15Å
307	N	95.9	Very high	97	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-46.9	-177.7	61.7	-38.4	0	0	0	110.9	G305 L310 I311 G430 L434	G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 2.99Å; G305-N307 VanDerWaalsContact O-N 3.14Å; N307-L310 PolarHBondContact O-N 2.92Å; N307-I311 VanDerWaalsContact O-CB 3.3Å; N307-I311 WeakPolarHBondContact O-CB 3.4Å; N307-I311 VanDerWaalsContact O-CD1 3.31Å; N307-I311 WeakPolarHBondContact O-CD1 3.46Å; N307-I311 WeakPolarHBondContact O-CG1 3.48Å; N307-I311 PolarHBondContact O-N 2.94Å; N307-G430 VanDerWaalsContact ND2-C 3.26Å; N307-G430 PolarHBondContact ND2-O 3.07Å; N307-L434 HydrophobicContact CB-CD2 4.32Å; N307-L434 HydrophobicContact CB-CG 4.47Å; N307-L434 WeakPolarHBondContact ND2-CD1 3.46Å; N307-L434 WeakPolarHBondContact ND2-CG 3.22Å
308	E	98.2	Very high	97.1	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-39.8	176.8	-68.3	-177.8	-98	0	0	111.6	G305 I311 A312 V375 L426 R427	G305-E308 PolarHBondContact O-N 3.37Å; G305-E308 VanDerWaalsContact O-N 3.14Å; E308-I311 PolarHBondContact O-N 3.47Å; E308-A312 WeakPolarHBondContact O-CB 3.4Å; E308-A312 PolarHBondContact O-N 2.92Å; E308-V375 HydrophobicContact CB-CG1 3.69Å; E308-L426 HydrophobicContact CB-CD2 4.23Å; E308-L426 HydrophobicContact CB-CG 4.12Å; E308-L426 HydrophobicContact CG-CG 4.35Å; E308-R427 IonicContact OE1-CZ 3.9Å; E308-R427 IonicContact OE1-NE 3.79Å; E308-R427 PolarHBondContact OE1-NE 2.89Å; E308-R427 IonicContact OE1-NH2 2.67Å; E308-R427 PolarHBondContact OE1-NH2 3.06Å; E308-R427 WeakPolarHBondContact OE2-CA 3.48Å; E308-R427 WeakPolarHBondContact OE2-CB 3.27Å; E308-R427 IonicContact OE2-CZ 3.16Å; E308-R427 PolarHBondContact OE2-N 3.16Å; E308-R427 IonicContact OE2-NE 2.77Å; E308-R427 PolarHBondContact OE2-NE 3.04Å; E308-R427 IonicContact OE2-NH2 2.73Å
309	L	98.4	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-45.7	177.6	-67.9	166.5	0	0	0	111.9	L280 W283 G305 W306 S313 R372 V375 L376	L280-L309 HydrophobicContact CD1-CB 3.74Å; L280-L309 HydrophobicContact CD1-CD1 4.09Å; L280-L309 HydrophobicContact CD1-CG 4.42Å; L280-L309 HydrophobicContact CD2-CB 4.02Å; L280-L309 HydrophobicContact CD2-CD1 4.08Å; L280-L309 HydrophobicContact CG-CD1 4.48Å; W283-L309 HydrophobicContact CH2-CD2 3.8Å; W283-L309 HydrophobicContact CZ3-CD1 4.22Å; W283-L309 HydrophobicContact CZ3-CD2 3.83Å; G305-L309 VanDerWaalsContact O-CG 3.26Å; G305-L309 WeakPolarHBondContact O-CG 3.35Å; G305-L309 PolarHBondContact O-N 3.38Å; W306-L309 PolarHBondContact O-N 3.39Å; L309-S313 WeakPolarHBondContact O-CB 3.26Å; L309-S313 PolarHBondContact O-N 2.92Å; L309-S313 VanDerWaalsContact O-N 3.14Å; L309-R372 HydrophobicContact CD2-CB 3.82Å; L309-R372 HydrophobicContact CD2-CG 4.26Å; L309-R372 WeakPolarHBondContact CD2-O 3.4Å; L309-V375 HydrophobicContact CD2-CB 3.99Å; L309-V375 HydrophobicContact CD2-CG1 3.89Å; L309-V375 HydrophobicContact CG-CG1 3.89Å; L309-L376 HydrophobicContact CD1-CD1 4.14Å; L309-L376 HydrophobicContact CD2-CB 4.41Å
310	L	97.5	Very high	96.9	Very high	16 Å²	16	21.9 Å²	21.9	8%	0.084	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-42.7	175.6	-68.8	-171.2	0	0	0	111.9	A273 Q276 L277 L280 W306 N307 A312 S313 F314	A273-L310 HydrophobicContact CB-CD1 4.13Å; Q276-L310 HydrophobicContact CB-CD1 4.41Å; Q276-L310 HydrophobicContact CB-CD2 3.65Å; L277-L310 HydrophobicContact CD2-CD1 4.11Å; L277-L310 HydrophobicContact CG-CD1 4.37Å; L280-L310 HydrophobicContact CB-CD2 4.34Å; L280-L310 HydrophobicContact CD2-CD2 4.37Å; L280-L310 HydrophobicContact CD2-CG 4.42Å; W306-L310 HydrophobicContact CE3-CD1 3.95Å; W306-L310 HydrophobicContact CZ3-CD1 4.23Å; W306-L310 WeakPolarHBondContact O-CB 3.43Å; W306-L310 WeakPolarHBondContact O-CG 3.29Å; W306-L310 PolarHBondContact O-N 3.43Å; N307-L310 PolarHBondContact O-N 2.92Å; L310-A312 PolarHBondContact O-N 3.29Å; L310-S313 PolarHBondContact O-N 3.48Å; L310-F314 WeakPolarHBondContact O-CD1 3.47Å; L310-F314 PolarHBondContact O-N 2.81Å
311	I	98.1	Very high	96.8	Very high	10 Å²	10	21.9 Å²	21.9	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-44.5	178.7	-70.6	163.3	0	0	0	111.1	N307 E308 S313 F314 S315 L354 L426 I429 C433	N307-I311 VanDerWaalsContact O-CB 3.3Å; N307-I311 WeakPolarHBondContact O-CB 3.4Å; N307-I311 VanDerWaalsContact O-CD1 3.31Å; N307-I311 WeakPolarHBondContact O-CD1 3.46Å; N307-I311 WeakPolarHBondContact O-CG1 3.48Å; N307-I311 PolarHBondContact O-N 2.94Å; E308-I311 PolarHBondContact O-N 3.47Å; I311-S313 PolarHBondContact O-N 3.38Å; I311-F314 HydrophobicContact CB-CE1 4.14Å; I311-F314 HydrophobicContact CB-CZ 4.48Å; I311-F314 HydrophobicContact CG1-CE1 3.75Å; I311-F314 HydrophobicContact CG1-CZ 4.16Å; I311-F314 HydrophobicContact CG2-CZ 4.43Å; I311-S315 WeakPolarHBondContact O-CB 3.46Å; I311-S315 PolarHBondContact O-N 3.28Å; I311-S315 PolarHBondContact O-OG 3.41Å; I311-L354 HydrophobicContact CG2-CD1 3.52Å; I311-L426 HydrophobicContact CB-CD1 4.01Å; I311-L426 HydrophobicContact CG2-CD1 3.62Å; I311-I429 HydrophobicContact CD1-CG2 4.43Å; I311-I429 HydrophobicContact CG2-CG2 4.2Å; I311-C433 HydrophobicContact CD1-CB 4.07Å
312	A	98.4	Very high	96.6	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-44.8	175.7	0	0	0	0	0	111.6	E308 L310 S315 H316 L368 R372 L426	E308-A312 WeakPolarHBondContact O-CB 3.4Å; E308-A312 PolarHBondContact O-N 2.92Å; L310-A312 PolarHBondContact O-N 3.29Å; A312-S315 PolarHBondContact O-N 3.36Å; A312-H316 PolarHBondContact O-N 3.44Å; A312-L368 HydrophobicContact CB-CD1 4.29Å; A312-R372 HydrophobicContact CB-CG 4.06Å; A312-L426 HydrophobicContact CB-CD1 4.23Å; A312-L426 HydrophobicContact CB-CD2 3.97Å
313	S	97.7	Very high	96.4	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.133	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-51.7	-179.1	-174.6	0	0	0	0	112.8	L309 L310 I311 S315 H316 R317	L309-S313 WeakPolarHBondContact O-CB 3.26Å; L309-S313 PolarHBondContact O-N 2.92Å; L309-S313 VanDerWaalsContact O-N 3.14Å; L310-S313 PolarHBondContact O-N 3.48Å; I311-S313 PolarHBondContact O-N 3.38Å; S313-S315 VanDerWaalsContact C-N 3.34Å; S313-S315 PolarHBondContact O-N 3.14Å; S313-H316 PolarHBondContact O-N 3.26Å; S313-R317 PolarHBondContact O-N 2.85Å
314	F	96.9	Very high	96.5	Very high	37 Å²	37	29.2 Å²	29.2	16%	0.162	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-28.5	179.5	81.5	-114.3	0	0	0	112.7	L310 I311 R317 S318 I325 V350	L310-F314 WeakPolarHBondContact O-CD1 3.47Å; L310-F314 PolarHBondContact O-N 2.81Å; I311-F314 HydrophobicContact CB-CE1 4.14Å; I311-F314 HydrophobicContact CB-CZ 4.48Å; I311-F314 HydrophobicContact CG1-CE1 3.75Å; I311-F314 HydrophobicContact CG1-CZ 4.16Å; I311-F314 HydrophobicContact CG2-CZ 4.43Å; F314-R317 VanDerWaalsContact CB-NH2 3.29Å; F314-R317 PolarHBondContact O-N 2.77Å; F314-S318 WeakPolarHBondContact O-CB 3.31Å; F314-S318 PolarHBondContact O-N 2.83Å; F314-S318 PolarHBondContact O-OG 3.27Å; F314-I325 HydrophobicContact CD2-CB 4.33Å; F314-I325 HydrophobicContact CD2-CD1 4.02Å; F314-I325 HydrophobicContact CD2-CG2 4.36Å; F314-I325 HydrophobicContact CE2-CB 4.48Å; F314-I325 HydrophobicContact CE2-CD1 3.67Å; F314-I325 HydrophobicContact CE2-CG2 4.18Å; F314-I325 HydrophobicContact CZ-CD1 4.33Å; F314-V350 HydrophobicContact CE2-CG1 3.86Å; F314-V350 HydrophobicContact CZ-CG1 4.33Å
315	S	98	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-42.9	174.1	-63.2	0	0	0	0	111.1	I311 A312 S313 S318	I311-S315 WeakPolarHBondContact O-CB 3.46Å; I311-S315 PolarHBondContact O-N 3.28Å; I311-S315 PolarHBondContact O-OG 3.41Å; A312-S315 PolarHBondContact O-N 3.36Å; S313-S315 VanDerWaalsContact C-N 3.34Å; S313-S315 PolarHBondContact O-N 3.14Å; S315-S318 PolarHBondContact O-N 3.23Å
316	H	98	Very high	96.5	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.111	15%	0.153	C	C	.	.	H	α-helix	trans	-67.5	-44	175.7	-171.6	-90.7	0	0	0	112.1	A312 S313 S318 V319 M358 M363 L368	A312-H316 PolarHBondContact O-N 3.44Å; S313-H316 PolarHBondContact O-N 3.26Å; H316-S318 PolarHBondContact O-N 3.47Å; H316-V319 WeakPolarHBondContact O-CG1 3.43Å; H316-V319 VanDerWaalsContact O-CG2 3.31Å; H316-V319 WeakPolarHBondContact O-CG2 3.38Å; H316-V319 PolarHBondContact O-N 3.3Å; H316-V319 VanDerWaalsContact O-N 3.17Å; H316-M358 HydrophobicContact CB-SD 3.97Å; H316-M363 PolarHBondContact NE2-O 3.13Å; H316-L368 HydrophobicContact CB-CD1 3.87Å; H316-L368 HydrophobicContact CB-CD2 3.61Å; H316-L368 HydrophobicContact CB-CG 4.3Å
317	R	96.4	Very high	96.4	Very high	40 Å²	40	28.1 Å²	28.1	15%	0.151	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-23.8	172.6	-176.2	169.8	60.3	-129.5	-3.5	113.3	S313 F314 L326 A328	S313-R317 PolarHBondContact O-N 2.85Å; F314-R317 VanDerWaalsContact CB-NH2 3.29Å; F314-R317 PolarHBondContact O-N 2.77Å; R317-L326 HydrophobicContact CG-CB 4.47Å; R317-L326 HydrophobicContact CG-CD2 4.2Å; R317-L326 HydrophobicContact CG-CG 4.4Å; R317-L326 PolarHBondContact NE-O 3.21Å; R317-L326 PolarHBondContact NH2-O 3.21Å; R317-L326 VanDerWaalsContact NH2-O 3.14Å; R317-A328 VanDerWaalsContact NH2-N 3.19Å
318	S	97.3	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.8	-176.9	-54.1	0	0	0	0	114.8	F314 S315 H316 S320 V321 I325 L326 V355	F314-S318 WeakPolarHBondContact O-CB 3.31Å; F314-S318 PolarHBondContact O-N 2.83Å; F314-S318 PolarHBondContact O-OG 3.27Å; S315-S318 PolarHBondContact O-N 3.23Å; H316-S318 PolarHBondContact O-N 3.47Å; S318-S320 PolarHBondContact O-N 2.92Å; S318-S320 VanDerWaalsContact O-N 3.15Å; S318-V321 WeakPolarHBondContact O-CB 3.12Å; S318-V321 PolarHBondContact O-N 3.12Å; S318-I325 WeakPolarHBondContact OG-CA 3.35Å; S318-I325 WeakPolarHBondContact OG-CB 3.48Å; S318-L326 PolarHBondContact OG-N 3.01Å; S318-V355 WeakPolarHBondContact O-CG1 3.45Å
319	V	96.6	Very high	95.9	Very high	37 Å²	37	29.8 Å²	29.8	22%	0.224	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.3	-176	-64.8	0	0	0	0	114.7	H316 V355 M358 K359	H316-V319 WeakPolarHBondContact O-CG1 3.43Å; H316-V319 VanDerWaalsContact O-CG2 3.31Å; H316-V319 WeakPolarHBondContact O-CG2 3.38Å; H316-V319 PolarHBondContact O-N 3.3Å; H316-V319 VanDerWaalsContact O-N 3.17Å; V319-V355 HydrophobicContact CG1-CG1 4.5Å; V319-M358 HydrophobicContact CG1-CB 3.7Å; V319-K359 HydrophobicContact CB-CB 4.2Å; V319-K359 HydrophobicContact CG1-CB 4.4Å; V319-K359 WeakPolarHBondContact O-CD 3.41Å
320	S	94.2	Very high	95.5	Very high	101 Å²	101	31.3 Å²	31.3	71%	0.706	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.5	174.6	52.2	0	0	0	0	113.7	S318	S318-S320 PolarHBondContact O-N 2.92Å; S318-S320 VanDerWaalsContact O-N 3.15Å
321	V	94.1	Very high	95.2	Very high	27 Å²	27	33.5 Å²	33.5	16%	0.164	19%	0.191	C	C	.	.	S	Bend	trans	-83	134.2	-178.6	-174.9	0	0	0	0	109.5	S318 L326	S318-V321 WeakPolarHBondContact O-CB 3.12Å; S318-V321 PolarHBondContact O-N 3.12Å; V321-L326 HydrophobicContact CG2-CB 3.99Å
322	Q	92.6	Very high	95	Very high	157 Å²	157	39.3 Å²	39.3	73%	0.734	22%	0.218	S	C	*	.	S	Bend	trans	-89.2	132.5	173.3	179.8	170.1	-11.9	0	0	110.4	G324	Q322-G324 PolarHBondContact O-N 3.01Å
323	D	94.2	Very high	94.9	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	22%	0.218	S	C	.	.	S	Bend	trans	48.7	33.7	173.4	-67.8	-66.3	0	0	0	114.9	H334 R335	D323-H334 PolarHBondContact O-CD2 3.14Å; D323-R335 WeakPolarHBondContact O-CB 3.46Å; D323-R335 PolarHBondContact O-N 2.92Å; D323-R335 IonicContact OD1-NH1 2.67Å
324	G	96	Very high	94.8	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-177.9	-177.2	0	0	0	0	0	113.8	Q322 V333 L351	Q322-G324 PolarHBondContact O-N 3.01Å; G324-V333 CarbonylContact C-O 3.42Å; G324-V333 WeakPolarHBondContact CA-O 3.48Å; G324-L351 WeakPolarHBondContact O-CD2 3.38Å
325	I	96.6	Very high	94.7	Very high	3 Å²	3	45 Å²	45	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.7	176.5	64.9	174.6	0	0	0	111.6	F314 S318 L327 V333 F347 L351	F314-I325 HydrophobicContact CD2-CB 4.33Å; F314-I325 HydrophobicContact CD2-CD1 4.02Å; F314-I325 HydrophobicContact CD2-CG2 4.36Å; F314-I325 HydrophobicContact CE2-CB 4.48Å; F314-I325 HydrophobicContact CE2-CD1 3.67Å; F314-I325 HydrophobicContact CE2-CG2 4.18Å; F314-I325 HydrophobicContact CZ-CD1 4.33Å; S318-I325 WeakPolarHBondContact OG-CA 3.35Å; S318-I325 WeakPolarHBondContact OG-CB 3.48Å; I325-L327 HydrophobicContact CD1-CD2 3.95Å; I325-L327 HydrophobicContact CG1-CD2 4.27Å; I325-V333 HydrophobicContact CG1-CB 3.93Å; I325-V333 PolarHBondContact N-O 2.73Å; I325-V333 PolarHBondContact O-N 3.27Å; I325-F347 HydrophobicContact CB-CZ 4.47Å; I325-F347 HydrophobicContact CD1-CE2 3.69Å; I325-F347 HydrophobicContact CD1-CZ 4.33Å; I325-F347 HydrophobicContact CG1-CE2 3.76Å; I325-F347 HydrophobicContact CG1-CZ 3.9Å; I325-F347 HydrophobicContact CG2-CE2 4.35Å; I325-F347 HydrophobicContact CG2-CZ 4.09Å; I325-L351 HydrophobicContact CG2-CD2 3.97Å
326	L	95.4	Very high	94.6	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113	174.3	178	57	0	0	0	110.7	R317 S318 V321 G330	R317-L326 HydrophobicContact CG-CB 4.47Å; R317-L326 HydrophobicContact CG-CD2 4.2Å; R317-L326 HydrophobicContact CG-CG 4.4Å; R317-L326 PolarHBondContact NE-O 3.21Å; R317-L326 PolarHBondContact NH2-O 3.21Å; R317-L326 VanDerWaalsContact NH2-O 3.14Å; S318-L326 PolarHBondContact OG-N 3.01Å; V321-L326 HydrophobicContact CG2-CB 3.99Å; L326-G330 WeakPolarHBondContact CD1-O 3.47Å
327	L	94.4	Very high	94.4	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.273	C	S	.	.			trans	-73.5	155.1	175	-57	-172.4	0	0	0	110.9	N268 I269 A272 I325 T329 G330 L331 V333	N268-L327 HydrophobicContact CB-CD1 3.98Å; N268-L327 WeakPolarHBondContact O-CD1 3.46Å; I269-L327 HydrophobicContact CG1-CD1 4.27Å; I269-L327 HydrophobicContact CG1-CD2 3.99Å; A272-L327 HydrophobicContact CB-CB 3.91Å; A272-L327 HydrophobicContact CB-CD1 4.09Å; A272-L327 HydrophobicContact CB-CD2 4.39Å; A272-L327 HydrophobicContact CB-CG 4.36Å; I325-L327 HydrophobicContact CD1-CD2 3.95Å; I325-L327 HydrophobicContact CG1-CD2 4.27Å; L327-T329 WeakPolarHBondContact CB-OG1 3.36Å; L327-T329 PolarHBondContact O-N 3.17Å; L327-T329 VanDerWaalsContact O-N 3.1Å; L327-G330 PolarHBondContact O-N 3.07Å; L327-L331 HydrophobicContact CB-CB 4.47Å; L327-L331 WeakPolarHBondContact CB-O 3.5Å; L327-L331 HydrophobicContact CD1-CB 4.24Å; L327-L331 WeakPolarHBondContact CG-O 3.44Å; L327-L331 PolarHBondContact N-O 3.46Å; L327-V333 HydrophobicContact CD1-CG2 3.77Å; L327-V333 HydrophobicContact CD2-CG2 4.36Å; L327-V333 HydrophobicContact CG-CG2 4.03Å
328	A	92.1	Very high	94.4	Very high	8 Å²	8	47.6 Å²	47.6	7%	0.066	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.8	177.7	0	0	0	0	0	113.7	P248 Q276 R317 G330	P248-A328 HydrophobicContact CB-CB 4.49Å; P248-A328 HydrophobicContact CG-CB 3.87Å; Q276-A328 HydrophobicContact CG-CB 3.38Å; R317-A328 VanDerWaalsContact NH2-N 3.19Å; A328-G330 VanDerWaalsContact C-N 3.33Å
329	T	90.8	Very high	94.3	Very high	45 Å²	45	51.9 Å²	51.9	28%	0.276	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.6	170.7	51	0	0	0	0	113.1	A272 K275 L327 L331	A272-T329 HydrophobicContact CB-CG2 4.08Å; K275-T329 HydrophobicContact CD-CG2 4.49Å; L327-T329 WeakPolarHBondContact CB-OG1 3.36Å; L327-T329 PolarHBondContact O-N 3.17Å; L327-T329 VanDerWaalsContact O-N 3.1Å; T329-L331 VanDerWaalsContact C-N 3.29Å
330	G	90.3	Very high	94.1	Very high	32 Å²	32	55.5 Å²	55.5	33%	0.33	31%	0.312	S	S	.	.	S	Bend	trans	87.7	-11.3	-173	0	0	0	0	0	114.2	L326 L327 A328 H332	L326-G330 WeakPolarHBondContact CD1-O 3.47Å; L327-G330 PolarHBondContact O-N 3.07Å; A328-G330 VanDerWaalsContact C-N 3.33Å; G330-H332 PolarHBondContact O-ND1 3.2Å
331	L	91.8	Very high	94	Very high	63 Å²	63	52.3 Å²	52.3	33%	0.33	29%	0.292	S	S	.	.			trans	-69.4	136.5	177.7	-64.5	177.6	0	0	0	111.4	N268 L327 T329	N268-L331 HydrophobicContact CB-CD1 4.15Å; N268-L331 WeakPolarHBondContact OD1-CD1 3.23Å; L327-L331 HydrophobicContact CB-CB 4.47Å; L327-L331 WeakPolarHBondContact CB-O 3.5Å; L327-L331 HydrophobicContact CD1-CB 4.24Å; L327-L331 WeakPolarHBondContact CG-O 3.44Å; L327-L331 PolarHBondContact N-O 3.46Å; T329-L331 VanDerWaalsContact C-N 3.29Å
332	H	93.4	Very high	93.8	Very high	132 Å²	132	53.9 Å²	53.9	61%	0.611	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.4	174.7	-70.3	68.7	0	0	0	109.5	G330	G330-H332 PolarHBondContact O-ND1 3.2Å
333	V	95.1	Very high	93.9	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110	171.4	179.9	0	0	0	0	107.9	P265 I269 G324 I325 L327 F347	P265-V333 HydrophobicContact CB-CG1 3.75Å; P265-V333 HydrophobicContact CB-CG2 4.37Å; I269-V333 HydrophobicContact CG1-CG2 4.36Å; G324-V333 CarbonylContact C-O 3.42Å; G324-V333 WeakPolarHBondContact CA-O 3.48Å; I325-V333 HydrophobicContact CG1-CB 3.93Å; I325-V333 PolarHBondContact N-O 2.73Å; I325-V333 PolarHBondContact O-N 3.27Å; L327-V333 HydrophobicContact CD1-CG2 3.77Å; L327-V333 HydrophobicContact CD2-CG2 4.36Å; L327-V333 HydrophobicContact CG-CG2 4.03Å; V333-F347 HydrophobicContact CB-CE2 4.26Å; V333-F347 HydrophobicContact CB-CZ 4.39Å; V333-F347 HydrophobicContact CG1-CE2 3.68Å; V333-F347 HydrophobicContact CG1-CZ 3.97Å; V333-F347 WeakPolarHBondContact O-CZ 3.43Å
334	H	96	Very high	93.9	Very high	90 Å²	90	44 Å²	44	42%	0.417	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.6	175.4	-174.2	-110	0	0	0	111.2	D323 S336 S337 A338	D323-H334 PolarHBondContact O-CD2 3.14Å; H334-S336 VanDerWaalsContact C-N 3.28Å; H334-S336 PolarHBondContact ND1-N 3.14Å; H334-S336 PolarHBondContact ND1-OG 3.41Å; H334-S336 PolarHBondContact O-N 2.99Å; H334-S337 WeakPolarHBondContact O-CB 3.04Å; H334-S337 PolarHBondContact O-N 2.77Å; H334-A338 PolarHBondContact O-N 2.95Å
335	R	96.1	Very high	93.9	Very high	82 Å²	82	47.8 Å²	47.8	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-51.5	-43.4	-178.9	-174.6	176.3	-170.8	176.3	-1.2	113.1	D323 S337 A338 H339 F347 D348 L351	D323-R335 WeakPolarHBondContact O-CB 3.46Å; D323-R335 PolarHBondContact O-N 2.92Å; D323-R335 IonicContact OD1-NH1 2.67Å; R335-S337 VanDerWaalsContact C-N 3.31Å; R335-S337 PolarHBondContact O-N 3.08Å; R335-A338 PolarHBondContact O-N 3.42Å; R335-H339 PolarHBondContact O-CD2 3.13Å; R335-H339 VanDerWaalsContact O-CD2 3.29Å; R335-H339 PolarHBondContact O-N 2.86Å; R335-H339 VanDerWaalsContact O-N 3.07Å; R335-F347 HydrophobicContact CB-CD1 4.41Å; R335-F347 HydrophobicContact CB-CE1 4.12Å; R335-F347 HydrophobicContact CG-CD1 4.4Å; R335-D348 WeakPolarHBondContact CG-OD1 3.28Å; R335-D348 IonicContact CZ-OD1 3.54Å; R335-D348 IonicContact CZ-OD2 2.75Å; R335-D348 IonicContact NE-OD1 3.47Å; R335-D348 PolarHBondContact NE-OD1 3.48Å; R335-D348 IonicContact NE-OD2 3.9Å; R335-D348 PolarHBondContact NE-OD2 3.42Å; R335-D348 IonicContact NH2-OD1 2.75Å; R335-D348 PolarHBondContact NH2-OD1 3.04Å; R335-D348 IonicContact NH2-OD2 3.45Å; R335-D348 PolarHBondContact NH2-OD2 3.35Å; R335-L351 HydrophobicContact CB-CD1 4.32Å; R335-L351 HydrophobicContact CG-CD1 4.32Å
336	S	95.5	Very high	93.9	Very high	66 Å²	66	48.3 Å²	48.3	46%	0.462	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-40.9	178.5	60.7	0	0	0	0	112.7	H334 A338 H339 S340	H334-S336 VanDerWaalsContact C-N 3.28Å; H334-S336 PolarHBondContact ND1-N 3.14Å; H334-S336 PolarHBondContact ND1-OG 3.41Å; H334-S336 PolarHBondContact O-N 2.99Å; S336-A338 PolarHBondContact O-N 3.4Å; S336-H339 PolarHBondContact O-N 2.95Å; S336-S340 PolarHBondContact O-N 3.11Å; S336-S340 PolarHBondContact O-OG 3.48Å
337	S	94.4	Very high	94	Very high	52 Å²	52	47.8 Å²	47.8	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-40.7	179.3	-50.5	0	0	0	0	111.4	H334 R335 S340 A341	H334-S337 WeakPolarHBondContact O-CB 3.04Å; H334-S337 PolarHBondContact O-N 2.77Å; R335-S337 VanDerWaalsContact C-N 3.31Å; R335-S337 PolarHBondContact O-N 3.08Å; S337-S340 PolarHBondContact O-N 3.26Å; S337-A341 WeakPolarHBondContact O-CB 3.45Å; S337-A341 PolarHBondContact O-N 3.3Å
338	A	94.6	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-38.3	175.8	0	0	0	0	0	112.6	H334 R335 S336 A341 G342 V343 G344 F347	H334-A338 PolarHBondContact O-N 2.95Å; R335-A338 PolarHBondContact O-N 3.42Å; S336-A338 PolarHBondContact O-N 3.4Å; A338-A341 PolarHBondContact O-N 2.88Å; A338-G342 PolarHBondContact O-N 3.27Å; A338-V343 HydrophobicContact CB-CG2 4.15Å; A338-V343 CarbonylContact O-C 3.59Å; A338-V343 WeakPolarHBondContact O-CG2 3.36Å; A338-V343 PolarHBondContact O-N 2.97Å; A338-G344 PolarHBondContact O-N 2.61Å; A338-F347 HydrophobicContact CB-CB 3.71Å; A338-F347 HydrophobicContact CB-CD1 3.81Å; A338-F347 HydrophobicContact CB-CD2 3.52Å; A338-F347 HydrophobicContact CB-CE1 4.28Å; A338-F347 HydrophobicContact CB-CE2 4.03Å; A338-F347 HydrophobicContact CB-CG 3.39Å; A338-F347 HydrophobicContact CB-CZ 4.39Å
339	H	95.5	Very high	94.5	Very high	91 Å²	91	51.9 Å²	51.9	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-45	172.7	-83.5	-97.8	0	0	0	112	R335 S336 A341 G342 G344 D348	R335-H339 PolarHBondContact O-CD2 3.13Å; R335-H339 VanDerWaalsContact O-CD2 3.29Å; R335-H339 PolarHBondContact O-N 2.86Å; R335-H339 VanDerWaalsContact O-N 3.07Å; S336-H339 PolarHBondContact O-N 2.95Å; H339-A341 PolarHBondContact O-N 2.96Å; H339-G342 PolarHBondContact O-N 3.2Å; H339-G344 VanDerWaalsContact CD2-CA 3.48Å; H339-G344 WeakPolarHBondContact CD2-CA 3.41Å; H339-G344 PolarHBondContact NE2-O 3.23Å; H339-D348 IonicContact CD2-OD1 3.56Å; H339-D348 IonicContact CE1-OD1 3.43Å; H339-D348 IonicContact CE1-OD2 3.26Å; H339-D348 IonicContact NE2-OD1 2.87Å; H339-D348 PolarHBondContact NE2-OD1 3.44Å; H339-D348 IonicContact NE2-OD2 3.9Å; H339-D348 PolarHBondContact NE2-OD2 3.47Å; H339-D348 VanDerWaalsContact NE2-OD2 3.13Å
340	S	93.5	Very high	94.8	Very high	112 Å²	112	50.1 Å²	50.1	78%	0.783	30%	0.297	S	S	*	.	H	α-helix	trans	-60.5	-32	175.4	-61.6	0	0	0	0	113.3	S336 S337 G342	S336-S340 PolarHBondContact O-N 3.11Å; S336-S340 PolarHBondContact O-OG 3.48Å; S337-S340 PolarHBondContact O-N 3.26Å; S340-G342 VanDerWaalsContact C-N 3.29Å; S340-G342 PolarHBondContact O-N 3.21Å
341	A	90.7	Very high	95.2	Very high	34 Å²	34	49.5 Å²	49.5	28%	0.281	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9.3	175.1	0	0	0	0	0	114.2	P265 V266 S337 A338 H339 V343	P265-A341 HydrophobicContact CG-CB 3.51Å; V266-A341 HydrophobicContact CG2-CB 4.21Å; S337-A341 WeakPolarHBondContact O-CB 3.45Å; S337-A341 PolarHBondContact O-N 3.3Å; A338-A341 PolarHBondContact O-N 2.88Å; H339-A341 PolarHBondContact O-N 2.96Å; A341-V343 HydrophobicContact CB-CG2 4.32Å; A341-V343 PolarHBondContact O-N 3.2Å; A341-V343 VanDerWaalsContact O-N 3.17Å
342	G	91.8	Very high	95.5	Very high	60 Å²	60	50.2 Å²	50.2	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	-0.6	177.5	0	0	0	0	0	115.9	A338 H339 S340	A338-G342 PolarHBondContact O-N 3.27Å; H339-G342 PolarHBondContact O-N 3.2Å; S340-G342 VanDerWaalsContact C-N 3.29Å; S340-G342 PolarHBondContact O-N 3.21Å
343	V	93.1	Very high	95.7	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.091	28%	0.278	C	S	.	.			trans	-99.1	6.4	179.2	-63.2	0	0	0	0	113.5	V266 A338 A341 S345 I346 F347 F440	V266-V343 HydrophobicContact CG2-CG1 4.09Å; V266-V343 HydrophobicContact CG2-CG2 4.17Å; A338-V343 HydrophobicContact CB-CG2 4.15Å; A338-V343 CarbonylContact O-C 3.59Å; A338-V343 WeakPolarHBondContact O-CG2 3.36Å; A338-V343 PolarHBondContact O-N 2.97Å; A341-V343 HydrophobicContact CB-CG2 4.32Å; A341-V343 PolarHBondContact O-N 3.2Å; A341-V343 VanDerWaalsContact O-N 3.17Å; V343-S345 VanDerWaalsContact C-N 3.25Å; V343-S345 PolarHBondContact O-N 2.78Å; V343-S345 VanDerWaalsContact O-N 3.15Å; V343-I346 HydrophobicContact CB-CG2 4.24Å; V343-I346 WeakPolarHBondContact O-CG2 3.3Å; V343-I346 PolarHBondContact O-N 3.07Å; V343-F347 WeakPolarHBondContact O-CB 3.41Å; V343-F347 PolarHBondContact O-N 2.93Å; V343-F347 VanDerWaalsContact O-N 3.08Å; V343-F440 HydrophobicContact CG1-CE2 4.13Å; V343-F440 HydrophobicContact CG1-CZ 3.83Å
344	G	95.2	Very high	95.8	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-55.7	-32.9	-176.4	0	0	0	0	0	115	A338 H339 F347 D348	A338-G344 PolarHBondContact O-N 2.61Å; H339-G344 VanDerWaalsContact CD2-CA 3.48Å; H339-G344 WeakPolarHBondContact CD2-CA 3.41Å; H339-G344 PolarHBondContact NE2-O 3.23Å; G344-F347 PolarHBondContact O-N 3.2Å; G344-D348 WeakPolarHBondContact O-CB 3.39Å; G344-D348 VanDerWaalsContact O-CG 3.22Å; G344-D348 PolarHBondContact O-N 3.26Å
345	S	96.4	Very high	95.9	Very high	81 Å²	81	42.6 Å²	42.6	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-66.6	-43	-179.6	59.8	0	0	0	0	113.3	V343 R349	V343-S345 VanDerWaalsContact C-N 3.25Å; V343-S345 PolarHBondContact O-N 2.78Å; V343-S345 VanDerWaalsContact O-N 3.15Å; S345-R349 WeakPolarHBondContact O-CG 3.21Å; S345-R349 PolarHBondContact O-N 2.91Å
346	I	96.4	Very high	96	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-76.7	-32.3	175.3	-175	56.5	0	0	0	111.3	V343 R349 V350 I429 K432	V343-I346 HydrophobicContact CB-CG2 4.24Å; V343-I346 WeakPolarHBondContact O-CG2 3.3Å; V343-I346 PolarHBondContact O-N 3.07Å; I346-R349 HydrophobicContact CD1-CB 4.43Å; I346-R349 WeakPolarHBondContact O-CB 3.49Å; I346-R349 PolarHBondContact O-N 3.03Å; I346-V350 WeakPolarHBondContact O-CG2 3.48Å; I346-V350 PolarHBondContact O-N 3.03Å; I346-V350 VanDerWaalsContact O-N 3.08Å; I346-I429 HydrophobicContact CD1-CB 4.37Å; I346-I429 HydrophobicContact CD1-CG1 4.33Å; I346-I429 HydrophobicContact CD1-CG2 4Å; I346-K432 HydrophobicContact CD1-CB 3.86Å; I346-K432 HydrophobicContact CD1-CG 3.85Å; I346-K432 HydrophobicContact CG1-CG 4.29Å
347	F	97.2	Very high	96.1	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.053	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-45.3	174.4	-163.8	-90	0	0	0	112.2	I325 V333 R335 A338 V343 G344 R349 V350 L351	I325-F347 HydrophobicContact CB-CZ 4.47Å; I325-F347 HydrophobicContact CD1-CE2 3.69Å; I325-F347 HydrophobicContact CD1-CZ 4.33Å; I325-F347 HydrophobicContact CG1-CE2 3.76Å; I325-F347 HydrophobicContact CG1-CZ 3.9Å; I325-F347 HydrophobicContact CG2-CE2 4.35Å; I325-F347 HydrophobicContact CG2-CZ 4.09Å; V333-F347 HydrophobicContact CB-CE2 4.26Å; V333-F347 HydrophobicContact CB-CZ 4.39Å; V333-F347 HydrophobicContact CG1-CE2 3.68Å; V333-F347 HydrophobicContact CG1-CZ 3.97Å; V333-F347 WeakPolarHBondContact O-CZ 3.43Å; R335-F347 HydrophobicContact CB-CD1 4.41Å; R335-F347 HydrophobicContact CB-CE1 4.12Å; R335-F347 HydrophobicContact CG-CD1 4.4Å; A338-F347 HydrophobicContact CB-CB 3.71Å; A338-F347 HydrophobicContact CB-CD1 3.81Å; A338-F347 HydrophobicContact CB-CD2 3.52Å; A338-F347 HydrophobicContact CB-CE1 4.28Å; A338-F347 HydrophobicContact CB-CE2 4.03Å; A338-F347 HydrophobicContact CB-CG 3.39Å; A338-F347 HydrophobicContact CB-CZ 4.39Å; V343-F347 WeakPolarHBondContact O-CB 3.41Å; V343-F347 PolarHBondContact O-N 2.93Å; V343-F347 VanDerWaalsContact O-N 3.08Å; G344-F347 PolarHBondContact O-N 3.2Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.47Å; F347-V350 WeakPolarHBondContact O-CB 3.5Å; F347-V350 PolarHBondContact O-N 3.39Å; F347-V350 VanDerWaalsContact O-N 3.16Å; F347-L351 HydrophobicContact CD1-CD1 3.95Å; F347-L351 HydrophobicContact CD1-CG 4.14Å; F347-L351 HydrophobicContact CE1-CD1 3.73Å; F347-L351 HydrophobicContact CE1-CD2 4.31Å; F347-L351 HydrophobicContact CE1-CG 4Å; F347-L351 PolarHBondContact O-N 3.43Å
348	D	97.9	Very high	96.3	Very high	33 Å²	33	38.8 Å²	38.8	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-36	176.3	-78.6	10.4	0	0	0	112.3	R335 H339 G344 T352	R335-D348 WeakPolarHBondContact CG-OD1 3.28Å; R335-D348 IonicContact CZ-OD1 3.54Å; R335-D348 IonicContact CZ-OD2 2.75Å; R335-D348 IonicContact NE-OD1 3.47Å; R335-D348 PolarHBondContact NE-OD1 3.48Å; R335-D348 IonicContact NE-OD2 3.9Å; R335-D348 PolarHBondContact NE-OD2 3.42Å; R335-D348 IonicContact NH2-OD1 2.75Å; R335-D348 PolarHBondContact NH2-OD1 3.04Å; R335-D348 IonicContact NH2-OD2 3.45Å; R335-D348 PolarHBondContact NH2-OD2 3.35Å; H339-D348 IonicContact CD2-OD1 3.56Å; H339-D348 IonicContact CE1-OD1 3.43Å; H339-D348 IonicContact CE1-OD2 3.26Å; H339-D348 IonicContact NE2-OD1 2.87Å; H339-D348 PolarHBondContact NE2-OD1 3.44Å; H339-D348 IonicContact NE2-OD2 3.9Å; H339-D348 PolarHBondContact NE2-OD2 3.47Å; H339-D348 VanDerWaalsContact NE2-OD2 3.13Å; G344-D348 WeakPolarHBondContact O-CB 3.39Å; G344-D348 VanDerWaalsContact O-CG 3.22Å; G344-D348 PolarHBondContact O-N 3.26Å; D348-T352 VanDerWaalsContact O-CB 3.25Å; D348-T352 WeakPolarHBondContact O-CB 3.36Å; D348-T352 PolarHBondContact O-N 3.3Å; D348-T352 PolarHBondContact O-OG1 2.68Å
349	R	97.9	Very high	96.5	Very high	66 Å²	66	44.4 Å²	44.4	25%	0.249	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-44.9	173.4	-69.5	-173.3	68.3	-152.6	-6.4	112	S345 I346 F347 L351 T352 E353 S428 I429	S345-R349 WeakPolarHBondContact O-CG 3.21Å; S345-R349 PolarHBondContact O-N 2.91Å; I346-R349 HydrophobicContact CD1-CB 4.43Å; I346-R349 WeakPolarHBondContact O-CB 3.49Å; I346-R349 PolarHBondContact O-N 3.03Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.47Å; R349-L351 PolarHBondContact O-N 3.45Å; R349-T352 PolarHBondContact O-N 3.08Å; R349-E353 WeakPolarHBondContact CB-OE1 3.43Å; R349-E353 WeakPolarHBondContact CG-OE1 3.49Å; R349-E353 IonicContact CZ-OE1 4Å; R349-E353 IonicContact NE-OE1 3.25Å; R349-E353 PolarHBondContact NE-OE1 3.25Å; R349-E353 IonicContact NH2-OE1 3.49Å; R349-E353 PolarHBondContact NH2-OE1 3.47Å; R349-E353 IonicContact NH2-OE2 2.61Å; R349-E353 PolarHBondContact NH2-OE2 3.44Å; R349-E353 VanDerWaalsContact NH2-OE2 3.11Å; R349-E353 VanDerWaalsContact O-CB 3.3Å; R349-E353 WeakPolarHBondContact O-CB 3.46Å; R349-E353 PolarHBondContact O-N 2.97Å; R349-S428 PolarHBondContact NH1-OG 2.97Å; R349-S428 PolarHBondContact NH2-OG 3.46Å; R349-I429 HydrophobicContact CB-CD1 4.14Å; R349-I429 HydrophobicContact CB-CG1 4.19Å
350	V	98.2	Very high	96.5	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.048	26%	0.263	C	S	.	.	I	π-helix	trans	-57.3	-49.2	174.7	171.5	0	0	0	0	110.8	F314 I346 F347 T352 L354 V355 I429	F314-V350 HydrophobicContact CE2-CG1 3.86Å; F314-V350 HydrophobicContact CZ-CG1 4.33Å; I346-V350 WeakPolarHBondContact O-CG2 3.48Å; I346-V350 PolarHBondContact O-N 3.03Å; I346-V350 VanDerWaalsContact O-N 3.08Å; F347-V350 WeakPolarHBondContact O-CB 3.5Å; F347-V350 PolarHBondContact O-N 3.39Å; F347-V350 VanDerWaalsContact O-N 3.16Å; V350-T352 PolarHBondContact O-N 3.28Å; V350-L354 WeakPolarHBondContact O-CB 3.27Å; V350-L354 PolarHBondContact O-N 2.96Å; V350-V355 HydrophobicContact CG1-CG2 4.29Å; V350-V355 PolarHBondContact O-N 3.32Å; V350-I429 HydrophobicContact CG2-CG2 3.6Å
351	L	98	Very high	96.7	Very high	20 Å²	20	39.6 Å²	39.6	11%	0.105	23%	0.227	C	C	.	.	I	π-helix	trans	-60.7	-45.5	177.7	-67.8	-175.4	0	0	0	112.5	G324 I325 R335 F347 R349 V355 S356	G324-L351 WeakPolarHBondContact O-CD2 3.38Å; I325-L351 HydrophobicContact CG2-CD2 3.97Å; R335-L351 HydrophobicContact CB-CD1 4.32Å; R335-L351 HydrophobicContact CG-CD1 4.32Å; F347-L351 HydrophobicContact CD1-CD1 3.95Å; F347-L351 HydrophobicContact CD1-CG 4.14Å; F347-L351 HydrophobicContact CE1-CD1 3.73Å; F347-L351 HydrophobicContact CE1-CD2 4.31Å; F347-L351 HydrophobicContact CE1-CG 4Å; F347-L351 PolarHBondContact O-N 3.43Å; R349-L351 PolarHBondContact O-N 3.45Å; L351-V355 HydrophobicContact CD2-CG2 4.25Å; L351-S356 WeakPolarHBondContact O-CB 3.29Å; L351-S356 PolarHBondContact O-N 3.16Å
352	T	97.7	Very high	97	Very high	78 Å²	78	45.5 Å²	45.5	48%	0.479	25%	0.249	S	C	.	.	I	π-helix	trans	-82.8	-41.8	-169.9	-51.4	0	0	0	0	113.4	D348 R349 V350 K357	D348-T352 VanDerWaalsContact O-CB 3.25Å; D348-T352 WeakPolarHBondContact O-CB 3.36Å; D348-T352 PolarHBondContact O-N 3.3Å; D348-T352 PolarHBondContact O-OG1 2.68Å; R349-T352 PolarHBondContact O-N 3.08Å; V350-T352 PolarHBondContact O-N 3.28Å; T352-K357 WeakPolarHBondContact O-CE 3.09Å
353	E	98.2	Very high	97.3	Very high	58 Å²	58	43.2 Å²	43.2	27%	0.271	22%	0.222	S	C	.	.	I	π-helix	trans	-91.1	-26.6	-173.4	-60.8	175.4	-125.6	0	0	112.8	R349 K357 R422 A425 I429	R349-E353 WeakPolarHBondContact CB-OE1 3.43Å; R349-E353 WeakPolarHBondContact CG-OE1 3.49Å; R349-E353 IonicContact CZ-OE1 4Å; R349-E353 IonicContact NE-OE1 3.25Å; R349-E353 PolarHBondContact NE-OE1 3.25Å; R349-E353 IonicContact NH2-OE1 3.49Å; R349-E353 PolarHBondContact NH2-OE1 3.47Å; R349-E353 IonicContact NH2-OE2 2.61Å; R349-E353 PolarHBondContact NH2-OE2 3.44Å; R349-E353 VanDerWaalsContact NH2-OE2 3.11Å; R349-E353 VanDerWaalsContact O-CB 3.3Å; R349-E353 WeakPolarHBondContact O-CB 3.46Å; R349-E353 PolarHBondContact O-N 2.97Å; E353-K357 VanDerWaalsContact O-CG 3.29Å; E353-K357 WeakPolarHBondContact O-CG 3.35Å; E353-R422 PolarHBondContact O-NH1 2.97Å; E353-A425 HydrophobicContact CB-CB 4.18Å; E353-I429 HydrophobicContact CB-CD1 4.03Å
354	L	98.2	Very high	97.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.224	C	C	.	.	I	π-helix	trans	-110	-70.2	-179.2	-50.9	178.7	0	0	0	111.9	I311 V350 S356 K357 M358 A425 L426 I429	I311-L354 HydrophobicContact CG2-CD1 3.52Å; V350-L354 WeakPolarHBondContact O-CB 3.27Å; V350-L354 PolarHBondContact O-N 2.96Å; L354-S356 PolarHBondContact O-N 3.39Å; L354-K357 PolarHBondContact O-N 3.29Å; L354-M358 WeakPolarHBondContact O-CG 3.32Å; L354-M358 PolarHBondContact O-N 3.19Å; L354-A425 HydrophobicContact CD2-CB 4.31Å; L354-L426 HydrophobicContact CD1-CD1 3.97Å; L354-L426 HydrophobicContact CD2-CB 4.25Å; L354-I429 HydrophobicContact CD1-CD1 3.83Å; L354-I429 HydrophobicContact CD1-CG2 4.37Å; L354-I429 HydrophobicContact CD2-CD1 4.3Å; L354-I429 HydrophobicContact CG-CD1 3.77Å
355	V	98.3	Very high	97.7	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	23%	0.233	C	C	.	.	I	π-helix	trans	-59.4	-52	-170.1	-175.4	0	0	0	0	111.7	S318 V319 V350 L351 K357 M358 K359	S318-V355 WeakPolarHBondContact O-CG1 3.45Å; V319-V355 HydrophobicContact CG1-CG1 4.5Å; V350-V355 HydrophobicContact CG1-CG2 4.29Å; V350-V355 PolarHBondContact O-N 3.32Å; L351-V355 HydrophobicContact CD2-CG2 4.25Å; V355-K357 VanDerWaalsContact C-N 3.29Å; V355-K357 PolarHBondContact O-N 3Å; V355-M358 PolarHBondContact O-N 3.32Å; V355-K359 WeakPolarHBondContact O-CB 3.43Å; V355-K359 PolarHBondContact O-N 2.93Å
356	S	97.9	Very high	97.8	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-56.1	-43.5	174.1	161.6	0	0	0	0	111.3	L351 L354 K359 D360	L351-S356 WeakPolarHBondContact O-CB 3.29Å; L351-S356 PolarHBondContact O-N 3.16Å; L354-S356 PolarHBondContact O-N 3.39Å; S356-K359 WeakPolarHBondContact O-CB 3.26Å; S356-K359 PolarHBondContact O-N 3.12Å; S356-D360 WeakPolarHBondContact O-CB 3.25Å; S356-D360 PolarHBondContact O-N 3.3Å; S356-D360 VanDerWaalsContact O-OD1 3.07Å; S356-D360 PolarHBondContact OG-OD2 3.41Å
357	K	98	Very high	97.9	Very high	74 Å²	74	41.5 Å²	41.5	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-73.8	-33	-174.6	-57.6	-64.3	145.7	-135.8	0	113	T352 E353 L354 V355 D360 M361	T352-K357 WeakPolarHBondContact O-CE 3.09Å; E353-K357 VanDerWaalsContact O-CG 3.29Å; E353-K357 WeakPolarHBondContact O-CG 3.35Å; L354-K357 PolarHBondContact O-N 3.29Å; V355-K357 VanDerWaalsContact C-N 3.29Å; V355-K357 PolarHBondContact O-N 3Å; K357-D360 IonicContact NZ-OD2 2.71Å; K357-D360 PolarHBondContact NZ-OD2 2.92Å; K357-M361 WeakPolarHBondContact O-CG 3.44Å; K357-M361 PolarHBondContact O-N 2.97Å
358	M	98.1	Very high	97.9	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.044	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-42.2	170.2	-68.7	173.4	173.2	0	0	111.2	H316 V319 L354 V355 Q362 M363 L368	H316-M358 HydrophobicContact CB-SD 3.97Å; V319-M358 HydrophobicContact CG1-CB 3.7Å; L354-M358 WeakPolarHBondContact O-CG 3.32Å; L354-M358 PolarHBondContact O-N 3.19Å; V355-M358 PolarHBondContact O-N 3.32Å; M358-Q362 PolarHBondContact O-N 3.3Å; M358-M363 HydrophobicContact CB-CB 4.3Å; M358-M363 HydrophobicContact CE-CE 4.42Å; M358-M363 HydrophobicContact CE-SD 4.21Å; M358-M363 HydrophobicContact CG-CE 3.81Å; M358-M363 HydrophobicContact CG-SD 3.85Å; M358-M363 PolarHBondContact O-N 3.08Å; M358-M363 HydrophobicContact SD-SD 4.38Å; M358-L368 HydrophobicContact CE-CD1 4.43Å
359	K	97.7	Very high	98	Very high	117 Å²	117	39.5 Å²	39.5	51%	0.509	19%	0.194	S	C	.	.	H	α-helix	trans	-63.6	-52.9	174.9	-173.4	-178.1	-170.1	162.8	0	112.2	V319 V355 S356 M361 Q362	V319-K359 HydrophobicContact CB-CB 4.2Å; V319-K359 HydrophobicContact CG1-CB 4.4Å; V319-K359 WeakPolarHBondContact O-CD 3.41Å; V355-K359 WeakPolarHBondContact O-CB 3.43Å; V355-K359 PolarHBondContact O-N 2.93Å; S356-K359 WeakPolarHBondContact O-CB 3.26Å; S356-K359 PolarHBondContact O-N 3.12Å; K359-M361 PolarHBondContact O-N 3.06Å; K359-Q362 PolarHBondContact O-N 3.35Å
360	D	97	Very high	98	Very high	95 Å²	95	36.4 Å²	36.4	51%	0.508	18%	0.183	S	C	.	.	H	α-helix	trans	-57.3	-31.6	-178.4	-64.9	-14	0	0	0	112.8	S356 K357	S356-D360 WeakPolarHBondContact O-CB 3.25Å; S356-D360 PolarHBondContact O-N 3.3Å; S356-D360 VanDerWaalsContact O-OD1 3.07Å; S356-D360 PolarHBondContact OG-OD2 3.41Å; K357-D360 IonicContact NZ-OD2 2.71Å; K357-D360 PolarHBondContact NZ-OD2 2.92Å
361	M	96.6	Very high	98	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.034	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.5	179.9	78.4	-168.6	-65.6	0	0	114.3	K357 K359 M363 R415 K418 L419 R422	K357-M361 WeakPolarHBondContact O-CG 3.44Å; K357-M361 PolarHBondContact O-N 2.97Å; K359-M361 PolarHBondContact O-N 3.06Å; M361-M363 HydrophobicContact CG-CB 4.08Å; M361-M363 PolarHBondContact O-N 3.31Å; M361-M363 HydrophobicContact SD-CE 4.02Å; M361-R415 PolarHBondContact O-NH1 3.05Å; M361-R415 PolarHBondContact O-NH2 3.15Å; M361-K418 HydrophobicContact CE-CB 4.14Å; M361-K418 HydrophobicContact CE-CD 3.99Å; M361-K418 HydrophobicContact CE-CG 3.79Å; M361-L419 HydrophobicContact CE-CB 4.5Å; M361-L419 HydrophobicContact CE-CD2 3.36Å; M361-L419 HydrophobicContact CE-CG 3.67Å; M361-L419 HydrophobicContact SD-CD2 4.1Å; M361-R422 HydrophobicContact SD-CG 4.47Å
362	Q	97.8	Very high	98.1	Very high	159 Å²	159	35.8 Å²	35.8	74%	0.743	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	58.5	-173	-61.2	177.3	-37.6	0	0	110.6	M358 K359 D364 R415	M358-Q362 PolarHBondContact O-N 3.3Å; K359-Q362 PolarHBondContact O-N 3.35Å; Q362-D364 PolarHBondContact O-N 3.49Å; Q362-R415 PolarHBondContact O-NH2 3.38Å
363	M	98.3	Very high	98.1	Very high	11 Å²	11	32.1 Å²	32.1	5%	0.054	16%	0.156	C	C	.	.			trans	-65.1	126.6	177.8	-177.8	-174.6	-72.2	0	0	109.7	H316 M358 M361 E367 L368 L371 L419 R422	H316-M363 PolarHBondContact NE2-O 3.13Å; M358-M363 HydrophobicContact CB-CB 4.3Å; M358-M363 HydrophobicContact CE-CE 4.42Å; M358-M363 HydrophobicContact CE-SD 4.21Å; M358-M363 HydrophobicContact CG-CE 3.81Å; M358-M363 HydrophobicContact CG-SD 3.85Å; M358-M363 PolarHBondContact O-N 3.08Å; M358-M363 HydrophobicContact SD-SD 4.38Å; M361-M363 HydrophobicContact CG-CB 4.08Å; M361-M363 PolarHBondContact O-N 3.31Å; M361-M363 HydrophobicContact SD-CE 4.02Å; M363-E367 WeakPolarHBondContact CA-OE2 3.42Å; M363-E367 HydrophobicContact CG-CB 3.95Å; M363-L368 HydrophobicContact SD-CB 4.32Å; M363-L368 HydrophobicContact SD-CD1 4.4Å; M363-L371 HydrophobicContact CE-CD1 3.58Å; M363-L371 HydrophobicContact SD-CD1 4.21Å; M363-L419 HydrophobicContact CE-CD2 3.68Å; M363-L419 HydrophobicContact CG-CD2 4.18Å; M363-R422 HydrophobicContact CE-CG 4.06Å
364	D	97.8	Very high	98.1	Very high	25 Å²	25	29.4 Å²	29.4	13%	0.134	14%	0.144	C	C	.	.			trans	-90.5	174.9	176.3	75	47.3	0	0	0	112.8	Q362 S366 E367 L368 Y404 K408 Y409	Q362-D364 PolarHBondContact O-N 3.49Å; D364-S366 WeakPolarHBondContact OD1-CA 3.29Å; D364-S366 VanDerWaalsContact OD1-CB 3.32Å; D364-S366 WeakPolarHBondContact OD1-CB 3.28Å; D364-S366 PolarHBondContact OD1-N 2.86Å; D364-E367 PolarHBondContact N-OE2 2.9Å; D364-E367 PolarHBondContact O-N 3.48Å; D364-E367 WeakPolarHBondContact OD1-CG 3.41Å; D364-E367 PolarHBondContact OD1-N 3.48Å; D364-L368 PolarHBondContact O-N 3.3Å; D364-Y404 PolarHBondContact OD1-OH 2.93Å; D364-Y404 PolarHBondContact OD2-OH 3.38Å; D364-K408 IonicContact OD2-NZ 2.67Å; D364-K408 PolarHBondContact OD2-NZ 3.28Å; D364-Y409 PolarHBondContact OD2-OH 2.74Å
365	K	97.7	Very high	98.2	Very high	45 Å²	45	29.7 Å²	29.7	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-71.5	-30.3	-177.2	-72.9	-162.8	172.6	-162.2	0	114.2	L240 L244 E247 E367 L368 G369	L240-K365 HydrophobicContact CD1-CB 3.67Å; L244-K365 HydrophobicContact CD2-CD 3.83Å; E247-K365 IonicContact OE1-NZ 2.67Å; E247-K365 PolarHBondContact OE1-NZ 3.36Å; E247-K365 IonicContact OE2-NZ 3.67Å; E247-K365 PolarHBondContact OE2-NZ 3.33Å; K365-E367 VanDerWaalsContact C-N 3.34Å; K365-L368 PolarHBondContact O-N 3.21Å; K365-G369 PolarHBondContact O-N 3.46Å
366	S	98.3	Very high	98.2	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-66.2	-42.7	174.8	-56.7	0	0	0	0	110.1	D364 G369 C370 Y404	D364-S366 WeakPolarHBondContact OD1-CA 3.29Å; D364-S366 VanDerWaalsContact OD1-CB 3.32Å; D364-S366 WeakPolarHBondContact OD1-CB 3.28Å; D364-S366 PolarHBondContact OD1-N 2.86Å; S366-G369 PolarHBondContact O-N 2.97Å; S366-C370 PolarHBondContact O-N 2.95Å; S366-C370 PolarHBondContact O-SG 3.47Å; S366-Y404 VanDerWaalsContact CB-CZ 3.49Å; S366-Y404 WeakPolarHBondContact CB-OH 3.4Å; S366-Y404 PolarHBondContact OG-OH 2.87Å
367	E	98.6	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-43.6	175.9	-63.5	173.5	147.4	0	0	112.3	M363 D364 K365 C370 L371 L401 Y404 Y409 R415 L419	M363-E367 WeakPolarHBondContact CA-OE2 3.42Å; M363-E367 HydrophobicContact CG-CB 3.95Å; D364-E367 PolarHBondContact N-OE2 2.9Å; D364-E367 PolarHBondContact O-N 3.48Å; D364-E367 WeakPolarHBondContact OD1-CG 3.41Å; D364-E367 PolarHBondContact OD1-N 3.48Å; K365-E367 VanDerWaalsContact C-N 3.34Å; E367-C370 PolarHBondContact O-N 3.39Å; E367-L371 WeakPolarHBondContact O-CG 3.18Å; E367-L371 PolarHBondContact O-N 2.82Å; E367-L401 HydrophobicContact CG-CD1 4.26Å; E367-Y404 HydrophobicContact CG-CD1 4.21Å; E367-Y404 HydrophobicContact CG-CE1 3.76Å; E367-Y409 VanDerWaalsContact OE1-CE2 3.26Å; E367-Y409 WeakPolarHBondContact OE1-CE2 3.38Å; E367-R415 VanDerWaalsContact CD-NH2 3.32Å; E367-R415 IonicContact OE1-CZ 3.31Å; E367-R415 VanDerWaalsContact OE1-CZ 3.31Å; E367-R415 IonicContact OE1-NE 2.67Å; E367-R415 PolarHBondContact OE1-NE 3.09Å; E367-R415 IonicContact OE1-NH2 3.11Å; E367-R415 PolarHBondContact OE1-NH2 3.15Å; E367-R415 VanDerWaalsContact OE1-NH2 3.11Å; E367-R415 IonicContact OE2-CZ 3.67Å; E367-R415 IonicContact OE2-NE 3.8Å; E367-R415 IonicContact OE2-NH2 2.74Å; E367-R415 PolarHBondContact OE2-NH2 2.87Å; E367-L419 HydrophobicContact CB-CD1 4.13Å; E367-L419 HydrophobicContact CB-CD2 4.03Å; E367-L419 HydrophobicContact CG-CD1 3.88Å; E367-L419 HydrophobicContact CG-CD2 4.45Å
368	L	98.6	Very high	98.2	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-50.2	172.6	177	68.7	0	0	0	111	A312 H316 M358 M363 D364 K365 C370 L371 R372	A312-L368 HydrophobicContact CB-CD1 4.29Å; H316-L368 HydrophobicContact CB-CD1 3.87Å; H316-L368 HydrophobicContact CB-CD2 3.61Å; H316-L368 HydrophobicContact CB-CG 4.3Å; M358-L368 HydrophobicContact CE-CD1 4.43Å; M363-L368 HydrophobicContact SD-CB 4.32Å; M363-L368 HydrophobicContact SD-CD1 4.4Å; D364-L368 PolarHBondContact O-N 3.3Å; K365-L368 PolarHBondContact O-N 3.21Å; L368-C370 PolarHBondContact O-N 3.44Å; L368-L371 PolarHBondContact O-N 2.83Å; L368-R372 HydrophobicContact CD1-CG 4.31Å; L368-R372 HydrophobicContact CG-CG 4.44Å; L368-R372 WeakPolarHBondContact O-CB 3.47Å; L368-R372 WeakPolarHBondContact O-CG 3.27Å; L368-R372 PolarHBondContact O-N 3.13Å
369	G	98.6	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-41.7	-179.3	0	0	0	0	0	112.3	E243 K365 S366 R372 A373	E243-G369 WeakPolarHBondContact OE1-CA 3.33Å; K365-G369 PolarHBondContact O-N 3.46Å; S366-G369 PolarHBondContact O-N 2.97Å; G369-R372 PolarHBondContact O-N 3.46Å; G369-A373 WeakPolarHBondContact O-CB 3.43Å; G369-A373 PolarHBondContact O-N 3.45Å
370	C	98.7	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.8	-43.8	174.2	-69.1	0	0	0	0	112.1	S366 E367 L368 R372 A373 I374 V397 L401	S366-C370 PolarHBondContact O-N 2.95Å; S366-C370 PolarHBondContact O-SG 3.47Å; E367-C370 PolarHBondContact O-N 3.39Å; L368-C370 PolarHBondContact O-N 3.44Å; C370-R372 VanDerWaalsContact C-N 3.32Å; C370-R372 PolarHBondContact O-N 3.39Å; C370-A373 PolarHBondContact O-N 2.74Å; C370-I374 WeakPolarHBondContact O-CD1 3.46Å; C370-I374 WeakPolarHBondContact O-CG1 3.28Å; C370-I374 PolarHBondContact O-N 2.76Å; C370-V397 HydrophobicContact CB-CG1 4.08Å; C370-V397 WeakPolarHBondContact O-CG1 3.39Å; C370-L401 HydrophobicContact CB-CB 3.97Å; C370-L401 HydrophobicContact CB-CD1 3.77Å; C370-L401 HydrophobicContact CB-CD2 3.91Å; C370-L401 HydrophobicContact CB-CG 4.08Å
371	L	98.8	Very high	98.1	Very high	11 Å²	11	19.9 Å²	19.9	6%	0.058	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-38.9	175.3	-71.1	178.1	0	0	0	111.9	M363 E367 L368 I374 V375 L401 L419 L420 L423	M363-L371 HydrophobicContact CE-CD1 3.58Å; M363-L371 HydrophobicContact SD-CD1 4.21Å; E367-L371 WeakPolarHBondContact O-CG 3.18Å; E367-L371 PolarHBondContact O-N 2.82Å; L368-L371 PolarHBondContact O-N 2.83Å; L371-I374 HydrophobicContact CD2-CD1 4.31Å; L371-I374 PolarHBondContact O-N 3.13Å; L371-V375 WeakPolarHBondContact O-CG2 3.33Å; L371-V375 PolarHBondContact O-N 3.33Å; L371-V375 VanDerWaalsContact O-N 3.17Å; L371-L401 HydrophobicContact CD2-CD2 4.27Å; L371-L419 HydrophobicContact CD1-CB 4.24Å; L371-L419 HydrophobicContact CD1-CD2 4.16Å; L371-L419 HydrophobicContact CD2-CB 4.26Å; L371-L420 HydrophobicContact CD2-CD2 4.27Å; L371-L423 HydrophobicContact CB-CD2 4.37Å; L371-L423 HydrophobicContact CD2-CD1 4.28Å; L371-L423 HydrophobicContact CD2-CD2 4.12Å; L371-L423 HydrophobicContact CD2-CG 4.16Å
372	R	98.7	Very high	97.9	Very high	5 Å²	5	28 Å²	28	2%	0.019	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-40.4	173	-72.6	176.6	62.1	-170.9	-0.9	111.7	E243 W283 L309 A312 L368 G369 C370 I374 V375 L376	E243-R372 VanDerWaalsContact OE1-CD 3.29Å; E243-R372 WeakPolarHBondContact OE1-CD 3.41Å; E243-R372 IonicContact OE1-CZ 3.51Å; E243-R372 VanDerWaalsContact OE1-CZ 3.26Å; E243-R372 IonicContact OE1-NE 3.23Å; E243-R372 PolarHBondContact OE1-NE 3.23Å; E243-R372 IonicContact OE1-NH1 2.88Å; E243-R372 PolarHBondContact OE1-NH1 2.92Å; E243-R372 IonicContact OE2-CZ 2.95Å; E243-R372 IonicContact OE2-NH1 2.65Å; E243-R372 PolarHBondContact OE2-NH1 3.5Å; W283-R372 VanDerWaalsContact CD2-NH2 3.32Å; W283-R372 HydrophobicContact CH2-CB 3.63Å; W283-R372 HydrophobicContact CZ2-CB 3.45Å; W283-R372 VanDerWaalsContact CZ2-CB 3.45Å; L309-R372 HydrophobicContact CD2-CB 3.82Å; L309-R372 HydrophobicContact CD2-CG 4.26Å; L309-R372 WeakPolarHBondContact CD2-O 3.4Å; A312-R372 HydrophobicContact CB-CG 4.06Å; L368-R372 HydrophobicContact CD1-CG 4.31Å; L368-R372 HydrophobicContact CG-CG 4.44Å; L368-R372 WeakPolarHBondContact O-CB 3.47Å; L368-R372 WeakPolarHBondContact O-CG 3.27Å; L368-R372 PolarHBondContact O-N 3.13Å; G369-R372 PolarHBondContact O-N 3.46Å; C370-R372 VanDerWaalsContact C-N 3.32Å; C370-R372 PolarHBondContact O-N 3.39Å; R372-I374 VanDerWaalsContact C-N 3.35Å; R372-I374 PolarHBondContact O-N 3.28Å; R372-V375 WeakPolarHBondContact O-CB 3.33Å; R372-V375 PolarHBondContact O-N 2.91Å; R372-V375 VanDerWaalsContact O-N 3.15Å; R372-L376 WeakPolarHBondContact O-CB 3.4Å; R372-L376 PolarHBondContact O-N 3.43Å
373	A	98.7	Very high	97.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-35.9	175.7	0	0	0	0	0	112.5	I287 G369 C370 V375 L376 F377 V397	I287-A373 HydrophobicContact CG2-CB 4.27Å; G369-A373 WeakPolarHBondContact O-CB 3.43Å; G369-A373 PolarHBondContact O-N 3.45Å; C370-A373 PolarHBondContact O-N 2.74Å; A373-V375 VanDerWaalsContact C-N 3.33Å; A373-V375 PolarHBondContact O-N 3.15Å; A373-L376 PolarHBondContact O-N 3.21Å; A373-F377 VanDerWaalsContact O-CD2 3.29Å; A373-F377 WeakPolarHBondContact O-CD2 3.37Å; A373-F377 PolarHBondContact O-N 3.44Å; A373-V397 HydrophobicContact CB-CG1 4.02Å; A373-V397 HydrophobicContact CB-CG2 4.01Å
374	I	98.8	Very high	97.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-39.2	171.1	-68.7	156.7	0	0	0	111.5	C370 L371 R372 R394 V397 Y398 L401 L420 L423	C370-I374 WeakPolarHBondContact O-CD1 3.46Å; C370-I374 WeakPolarHBondContact O-CG1 3.28Å; C370-I374 PolarHBondContact O-N 2.76Å; L371-I374 HydrophobicContact CD2-CD1 4.31Å; L371-I374 PolarHBondContact O-N 3.13Å; R372-I374 VanDerWaalsContact C-N 3.35Å; R372-I374 PolarHBondContact O-N 3.28Å; I374-R394 PolarHBondContact O-NE 3.23Å; I374-R394 PolarHBondContact O-NH2 3.35Å; I374-V397 HydrophobicContact CD1-CG1 4.18Å; I374-V397 HydrophobicContact CG1-CB 4.24Å; I374-V397 HydrophobicContact CG1-CG1 3.71Å; I374-Y398 HydrophobicContact CB-CE1 4.41Å; I374-Y398 HydrophobicContact CD1-CD1 3.65Å; I374-Y398 HydrophobicContact CD1-CE1 3.65Å; I374-Y398 HydrophobicContact CG1-CD1 3.9Å; I374-Y398 HydrophobicContact CG1-CE1 3.73Å; I374-Y398 HydrophobicContact CG2-CE1 3.74Å; I374-L401 HydrophobicContact CD1-CD2 4.21Å; I374-L420 HydrophobicContact CD1-CD2 3.8Å; I374-L423 HydrophobicContact CG2-CD1 3.69Å
375	V	98.7	Very high	97.4	Very high	8 Å²	8	25 Å²	25	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-68.3	-41	174.4	172.3	0	0	0	0	111.4	E308 L309 L371 R372 A373 L423 L426	E308-V375 HydrophobicContact CB-CG1 3.69Å; L309-V375 HydrophobicContact CD2-CB 3.99Å; L309-V375 HydrophobicContact CD2-CG1 3.89Å; L309-V375 HydrophobicContact CG-CG1 3.89Å; L371-V375 WeakPolarHBondContact O-CG2 3.33Å; L371-V375 PolarHBondContact O-N 3.33Å; L371-V375 VanDerWaalsContact O-N 3.17Å; R372-V375 WeakPolarHBondContact O-CB 3.33Å; R372-V375 PolarHBondContact O-N 2.91Å; R372-V375 VanDerWaalsContact O-N 3.15Å; A373-V375 VanDerWaalsContact C-N 3.33Å; A373-V375 PolarHBondContact O-N 3.15Å; V375-L423 HydrophobicContact CG2-CD2 3.78Å; V375-L426 HydrophobicContact CG2-CD2 4.05Å
376	L	98.7	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-53.5	179.1	179.2	67.1	0	0	0	111.8	W283 A284 I287 F290 L301 L302 L309 R372 A373 N378	W283-L376 HydrophobicContact CH2-CB 4.17Å; W283-L376 HydrophobicContact CH2-CD2 4.06Å; W283-L376 HydrophobicContact CZ3-CB 4.18Å; W283-L376 HydrophobicContact CZ3-CD1 4.29Å; W283-L376 HydrophobicContact CZ3-CD2 3.78Å; W283-L376 HydrophobicContact CZ3-CG 4.31Å; A284-L376 HydrophobicContact CB-CD1 4.3Å; A284-L376 HydrophobicContact CB-CD2 4.16Å; I287-L376 HydrophobicContact CB-CD2 4.36Å; I287-L376 HydrophobicContact CG1-CD2 4.24Å; I287-L376 HydrophobicContact CG2-CD2 4.42Å; F290-L376 HydrophobicContact CD2-CD1 4.17Å; F290-L376 HydrophobicContact CD2-CD2 3.67Å; F290-L376 HydrophobicContact CD2-CG 4.02Å; F290-L376 HydrophobicContact CE2-CD1 3.78Å; F290-L376 HydrophobicContact CE2-CD2 4.14Å; F290-L376 HydrophobicContact CE2-CG 4.11Å; F290-L376 HydrophobicContact CG-CD2 4.2Å; F290-L376 HydrophobicContact CZ-CD1 4.47Å; L301-L376 WeakPolarHBondContact CD2-O 3.37Å; L302-L376 HydrophobicContact CD2-CD1 4.1Å; L309-L376 HydrophobicContact CD1-CD1 4.14Å; L309-L376 HydrophobicContact CD2-CB 4.41Å; R372-L376 WeakPolarHBondContact O-CB 3.4Å; R372-L376 PolarHBondContact O-N 3.43Å; A373-L376 PolarHBondContact O-N 3.21Å; L376-N378 VanDerWaalsContact C-N 3.28Å; L376-N378 PolarHBondContact O-N 3.5Å
377	F	98.6	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-79.4	76.3	179.6	-63.4	-57.9	0	0	0	110.5	M234 I287 F290 L293 L301 A373 P379 V390 L393 R394 V397	M234-F377 HydrophobicContact CE-CE2 3.98Å; M234-F377 HydrophobicContact CE-CZ 4.43Å; I287-F377 HydrophobicContact CG2-CE2 3.66Å; I287-F377 HydrophobicContact CG2-CZ 3.8Å; F290-F377 HydrophobicContact CB-CE1 4.2Å; F290-F377 HydrophobicContact CB-CZ 4.14Å; F290-F377 HydrophobicContact CD2-CE1 4.08Å; L293-F377 HydrophobicContact CD1-CD1 4.4Å; L293-F377 HydrophobicContact CD1-CE1 4.13Å; L301-F377 HydrophobicContact CD1-CD1 4.37Å; A373-F377 VanDerWaalsContact O-CD2 3.29Å; A373-F377 WeakPolarHBondContact O-CD2 3.37Å; A373-F377 PolarHBondContact O-N 3.44Å; F377-P379 VanDerWaalsContact O-CD 3.27Å; F377-P379 WeakPolarHBondContact O-CD 3.47Å; F377-V390 VanDerWaalsContact C-CG1 3.46Å; F377-V390 HydrophobicContact CB-CG1 4.03Å; F377-L393 HydrophobicContact CD1-CB 3.98Å; F377-L393 HydrophobicContact CD1-CD1 3.94Å; F377-L393 HydrophobicContact CD2-CB 4.18Å; F377-L393 HydrophobicContact CE1-CB 4.19Å; F377-L393 HydrophobicContact CE1-CD1 3.6Å; F377-L393 HydrophobicContact CE2-CB 4.37Å; F377-L393 HydrophobicContact CG-CB 3.99Å; F377-L393 HydrophobicContact CZ-CB 4.37Å; F377-L393 HydrophobicContact CZ-CD1 4.13Å; F377-R394 HydrophobicContact CB-CB 4.03Å; F377-R394 PolarHBondContact O-NE 3.2Å; F377-R394 PolarHBondContact O-NH2 3.18Å; F377-V397 HydrophobicContact CD2-CG2 4.14Å; F377-V397 HydrophobicContact CE2-CG2 4.28Å
378	N	98.2	Very high	97	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.064	19%	0.188	C	C	.	.			trans	-102.8	96.2	-177.6	-173.3	45	0	0	0	112.9	Y5 L301 L376 D380 A381 L384 R394	Y5-N378 PolarHBondContact OH-OD1 2.89Å; L301-N378 HydrophobicContact CD2-CB 4.48Å; L376-N378 VanDerWaalsContact C-N 3.28Å; L376-N378 PolarHBondContact O-N 3.5Å; N378-D380 PolarHBondContact O-N 3.11Å; N378-A381 WeakPolarHBondContact O-CB 3.35Å; N378-A381 PolarHBondContact O-N 3.22Å; N378-L384 WeakPolarHBondContact O-CD1 3.19Å; N378-R394 PolarHBondContact OD1-NH2 2.89Å
379	P	98	Very high	97	Very high	19 Å²	19	35.6 Å²	35.6	12%	0.123	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.6	179.1	29.9	-36.9	0	0	0	113.3	F377 A381 P387 V390 E391	F377-P379 VanDerWaalsContact O-CD 3.27Å; F377-P379 WeakPolarHBondContact O-CD 3.47Å; P379-A381 PolarHBondContact O-N 2.73Å; P379-P387 HydrophobicContact CB-CB 4.49Å; P379-P387 WeakPolarHBondContact CB-O 3.33Å; P379-V390 HydrophobicContact CB-CB 4.4Å; P379-V390 HydrophobicContact CB-CG1 4.38Å; P379-E391 HydrophobicContact CB-CB 3.93Å; P379-E391 HydrophobicContact CG-CB 3.99Å; P379-E391 HydrophobicContact CG-CG 4.34Å
380	D	96.5	Very high	96.9	Very high	91 Å²	91	35.7 Å²	35.7	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.4	171.2	-62.7	-52.4	0	0	0	113.3	Y5 N378 K382	Y5-D380 PolarHBondContact OH-OD2 2.78Å; Y5-D380 VanDerWaalsContact OH-OD2 3.07Å; N378-D380 PolarHBondContact O-N 3.11Å; D380-K382 PolarHBondContact O-N 2.74Å
381	A	95.1	Very high	96.9	Very high	12 Å²	12	39.5 Å²	39.5	10%	0.099	22%	0.224	C	C	.	.	S	Bend	trans	-68.5	131.6	-179.4	0	0	0	0	0	110.8	I300 L301 A304 N378 P379 L384	I300-A381 HydrophobicContact CG2-CB 3.75Å; L301-A381 HydrophobicContact CD2-CB 4.24Å; A304-A381 HydrophobicContact CB-CB 3.91Å; N378-A381 WeakPolarHBondContact O-CB 3.35Å; N378-A381 PolarHBondContact O-N 3.22Å; P379-A381 PolarHBondContact O-N 2.73Å; A381-L384 HydrophobicContact CB-CD1 3.97Å; A381-L384 HydrophobicContact CB-CG 4.11Å; A381-L384 WeakPolarHBondContact O-CG 3.48Å
382	K	92.4	Very high	96.8	Very high	178 Å²	178	41.7 Å²	41.7	77%	0.774	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	136.4	-175.5	-66.7	-177.5	177.4	-175.8	0	111.2	I300 D380	I300-K382 WeakPolarHBondContact CG2-O 3.41Å; D380-K382 PolarHBondContact O-N 2.74Å
383	G	93.1	Very high	96.8	Very high	38 Å²	38	41.8 Å²	41.8	39%	0.392	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-3.5	177.1	0	0	0	0	0	114.4	I300 S385	I300-G383 VanDerWaalsContact CD1-C 3.49Å; I300-G383 WeakPolarHBondContact CD1-O 3.4Å; G383-S385 PolarHBondContact O-N 2.87Å
384	L	94.5	Very high	96.8	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.089	24%	0.242	C	C	.	.			trans	-56.3	135.7	177.2	-71	175.2	0	0	0	111.8	D297 I300 L301 N378 A381 P387 V390	D297-L384 HydrophobicContact CB-CD2 3.9Å; D297-L384 WeakPolarHBondContact OD1-CA 3.49Å; D297-L384 VanDerWaalsContact OD1-CD2 3.28Å; D297-L384 WeakPolarHBondContact OD1-CD2 3.3Å; I300-L384 HydrophobicContact CB-CD2 4.17Å; I300-L384 HydrophobicContact CG2-CD2 3.74Å; I300-L384 HydrophobicContact CG2-CG 4.03Å; L301-L384 HydrophobicContact CD2-CD1 4.16Å; L301-L384 HydrophobicContact CD2-CD2 3.87Å; L301-L384 HydrophobicContact CG-CD2 4.03Å; N378-L384 WeakPolarHBondContact O-CD1 3.19Å; A381-L384 HydrophobicContact CB-CD1 3.97Å; A381-L384 HydrophobicContact CB-CG 4.11Å; A381-L384 WeakPolarHBondContact O-CG 3.48Å; L384-P387 HydrophobicContact CB-CG 4.05Å; L384-V390 HydrophobicContact CD1-CB 4.37Å; L384-V390 HydrophobicContact CD1-CG1 4.47Å; L384-V390 HydrophobicContact CD1-CG2 4.06Å; L384-V390 HydrophobicContact CD2-CG2 4.35Å
385	S	96	Very high	96.7	Very high	77 Å²	77	47.3 Å²	47.3	54%	0.538	26%	0.264	S	S	.	.	S	Bend	trans	-69.9	-40.3	179	80.4	0	0	0	0	111.7	D297 G383	D297-S385 PolarHBondContact OD1-N 3.17Å; D297-S385 WeakPolarHBondContact OD2-CB 3.48Å; D297-S385 PolarHBondContact OD2-OG 2.89Å; G383-S385 PolarHBondContact O-N 2.87Å
386	N	94	Very high	96.7	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.342	27%	0.271	S	S	.	.			trans	-137.8	80.6	179.1	-171	8.7	0	0	0	112	S388 E389	N386-S388 PolarHBondContact O-N 3.15Å; N386-S388 VanDerWaalsContact O-N 3.15Å; N386-E389 HydrophobicContact CB-CB 4.25Å; N386-E389 VanDerWaalsContact ND2-CB 3.29Å; N386-E389 WeakPolarHBondContact ND2-CB 3.34Å; N386-E389 PolarHBondContact ND2-OE2 3Å; N386-E389 PolarHBondContact O-N 3.3Å
387	P	96.6	Very high	96.6	Very high	60 Å²	60	49.1 Å²	49.1	39%	0.39	27%	0.271	S	S	.	.	H	α-helix	trans	-56.4	-30.7	178.7	-24.3	32.4	0	0	0	114.1	P379 L384 E389 V390 E391	P379-P387 HydrophobicContact CB-CB 4.49Å; P379-P387 WeakPolarHBondContact CB-O 3.33Å; L384-P387 HydrophobicContact CB-CG 4.05Å; P387-E389 VanDerWaalsContact C-N 3.33Å; P387-E389 PolarHBondContact O-N 3.49Å; P387-V390 PolarHBondContact O-N 2.95Å; P387-E391 PolarHBondContact O-N 2.82Å
388	S	96.6	Very high	96.6	Very high	72 Å²	72	52.3 Å²	52.3	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-33.4	-178.2	-169.6	0	0	0	0	112.7	N386 E391 T392	N386-S388 PolarHBondContact O-N 3.15Å; N386-S388 VanDerWaalsContact O-N 3.15Å; S388-E391 PolarHBondContact O-N 2.95Å; S388-T392 PolarHBondContact O-N 3.38Å; S388-T392 PolarHBondContact O-OG1 3.4Å
389	E	96.8	Very high	96.6	Very high	82 Å²	82	53.9 Å²	53.9	38%	0.383	30%	0.298	S	S	.	.	H	α-helix	trans	-72.7	-41	177.9	174.9	175	-176	0	0	111.1	L293 N386 P387 E391 T392 L393	L293-E389 HydrophobicContact CD2-CG 3.94Å; N386-E389 HydrophobicContact CB-CB 4.25Å; N386-E389 VanDerWaalsContact ND2-CB 3.29Å; N386-E389 WeakPolarHBondContact ND2-CB 3.34Å; N386-E389 PolarHBondContact ND2-OE2 3Å; N386-E389 PolarHBondContact O-N 3.3Å; P387-E389 VanDerWaalsContact C-N 3.33Å; P387-E389 PolarHBondContact O-N 3.49Å; E389-E391 VanDerWaalsContact C-N 3.3Å; E389-E391 PolarHBondContact O-N 3.05Å; E389-T392 PolarHBondContact O-N 3.44Å; E389-L393 WeakPolarHBondContact O-CG 3.39Å; E389-L393 PolarHBondContact O-N 3.14Å
390	V	98	Very high	96.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-38.9	171.8	-178.8	0	0	0	0	111.3	L293 L301 F377 P379 L384 P387 L393 R394	L293-V390 HydrophobicContact CD1-CG2 4.49Å; L301-V390 HydrophobicContact CD1-CG1 4.27Å; L301-V390 HydrophobicContact CD1-CG2 4.23Å; L301-V390 HydrophobicContact CD2-CG1 3.88Å; F377-V390 VanDerWaalsContact C-CG1 3.46Å; F377-V390 HydrophobicContact CB-CG1 4.03Å; P379-V390 HydrophobicContact CB-CB 4.4Å; P379-V390 HydrophobicContact CB-CG1 4.38Å; L384-V390 HydrophobicContact CD1-CB 4.37Å; L384-V390 HydrophobicContact CD1-CG1 4.47Å; L384-V390 HydrophobicContact CD1-CG2 4.06Å; L384-V390 HydrophobicContact CD2-CG2 4.35Å; P387-V390 PolarHBondContact O-N 2.95Å; V390-L393 PolarHBondContact O-N 3.41Å; V390-R394 PolarHBondContact O-N 3.43Å
391	E	98	Very high	96.6	Very high	81 Å²	81	49 Å²	49	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-47	173.6	-171.5	161.8	-128.9	0	0	111.4	P379 P387 S388 E389 L393 R394 E395	P379-E391 HydrophobicContact CB-CB 3.93Å; P379-E391 HydrophobicContact CG-CB 3.99Å; P379-E391 HydrophobicContact CG-CG 4.34Å; P387-E391 PolarHBondContact O-N 2.82Å; S388-E391 PolarHBondContact O-N 2.95Å; E389-E391 VanDerWaalsContact C-N 3.3Å; E389-E391 PolarHBondContact O-N 3.05Å; E391-L393 VanDerWaalsContact C-N 3.35Å; E391-L393 PolarHBondContact O-N 3.28Å; E391-R394 WeakPolarHBondContact O-CB 3.29Å; E391-R394 PolarHBondContact O-N 2.96Å; E391-R394 VanDerWaalsContact O-N 3.16Å; E391-E395 WeakPolarHBondContact O-CG 3.39Å; E391-E395 PolarHBondContact O-N 2.61Å
392	T	97.4	Very high	96.7	Very high	56 Å²	56	51.9 Å²	51.9	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-41.1	174.7	-58.7	0	0	0	0	112.7	S388 E389 E395 K396	S388-T392 PolarHBondContact O-N 3.38Å; S388-T392 PolarHBondContact O-OG1 3.4Å; E389-T392 PolarHBondContact O-N 3.44Å; T392-E395 PolarHBondContact O-N 2.93Å; T392-K396 WeakPolarHBondContact O-CG 3.42Å; T392-K396 PolarHBondContact O-N 2.63Å
393	L	97.8	Very high	97	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-41.1	175.4	-69.2	-179.8	0	0	0	112	M234 H289 L293 F377 E389 V390 E391 K396 V397	M234-L393 HydrophobicContact CE-CD2 4.3Å; H289-L393 HydrophobicContact CB-CD1 4.02Å; H289-L393 HydrophobicContact CB-CD2 3.57Å; H289-L393 HydrophobicContact CB-CG 4.47Å; L293-L393 HydrophobicContact CD1-CD1 4.11Å; L293-L393 HydrophobicContact CD2-CD1 3.95Å; L293-L393 HydrophobicContact CG-CD1 4.15Å; F377-L393 HydrophobicContact CD1-CB 3.98Å; F377-L393 HydrophobicContact CD1-CD1 3.94Å; F377-L393 HydrophobicContact CD2-CB 4.18Å; F377-L393 HydrophobicContact CE1-CB 4.19Å; F377-L393 HydrophobicContact CE1-CD1 3.6Å; F377-L393 HydrophobicContact CE2-CB 4.37Å; F377-L393 HydrophobicContact CG-CB 3.99Å; F377-L393 HydrophobicContact CZ-CB 4.37Å; F377-L393 HydrophobicContact CZ-CD1 4.13Å; E389-L393 WeakPolarHBondContact O-CG 3.39Å; E389-L393 PolarHBondContact O-N 3.14Å; V390-L393 PolarHBondContact O-N 3.41Å; E391-L393 VanDerWaalsContact C-N 3.35Å; E391-L393 PolarHBondContact O-N 3.28Å; L393-K396 HydrophobicContact CD2-CD 4.34Å; L393-K396 PolarHBondContact O-N 3.11Å; L393-V397 WeakPolarHBondContact O-CG2 3.37Å; L393-V397 PolarHBondContact O-N 3.46Å; L393-V397 VanDerWaalsContact O-N 3.15Å
394	R	98.3	Very high	97.2	Very high	17 Å²	17	44.1 Å²	44.1	6%	0.064	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-41.7	173	170.6	-177.6	-82.5	-171.6	-6	112.1	Y5 I374 F377 N378 V390 E391 V397 Y398	Y5-R394 PolarHBondContact OH-NH1 3.43Å; Y5-R394 PolarHBondContact OH-NH2 3.01Å; I374-R394 PolarHBondContact O-NE 3.23Å; I374-R394 PolarHBondContact O-NH2 3.35Å; F377-R394 HydrophobicContact CB-CB 4.03Å; F377-R394 PolarHBondContact O-NE 3.2Å; F377-R394 PolarHBondContact O-NH2 3.18Å; N378-R394 PolarHBondContact OD1-NH2 2.89Å; V390-R394 PolarHBondContact O-N 3.43Å; E391-R394 WeakPolarHBondContact O-CB 3.29Å; E391-R394 PolarHBondContact O-N 2.96Å; E391-R394 VanDerWaalsContact O-N 3.16Å; R394-V397 PolarHBondContact O-N 3.27Å; R394-Y398 HydrophobicContact CG-CD2 4.3Å; R394-Y398 HydrophobicContact CG-CE1 4.4Å; R394-Y398 HydrophobicContact CG-CE2 3.7Å; R394-Y398 PolarHBondContact O-N 3.08Å
395	E	97.8	Very high	97.3	Very high	101 Å²	101	43.6 Å²	43.6	47%	0.472	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-40.8	176.8	-72.9	-178.3	156.1	0	0	112.2	E391 T392 V397 Y398 A399	E391-E395 WeakPolarHBondContact O-CG 3.39Å; E391-E395 PolarHBondContact O-N 2.61Å; T392-E395 PolarHBondContact O-N 2.93Å; E395-V397 VanDerWaalsContact C-N 3.33Å; E395-V397 PolarHBondContact O-N 3.22Å; E395-Y398 WeakPolarHBondContact O-CB 3.42Å; E395-Y398 PolarHBondContact O-N 3Å; E395-Y398 VanDerWaalsContact O-N 3.14Å; E395-A399 PolarHBondContact O-N 2.68Å
396	K	97.5	Very high	97.4	Very high	46 Å²	46	45.9 Å²	45.9	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-43.1	171.3	-68.7	170.4	-176.9	174.2	0	111.6	D233 M234 T392 L393 Y398 A399 T400	D233-K396 HydrophobicContact CB-CD 4.47Å; D233-K396 VanDerWaalsContact OD2-CE 3.24Å; D233-K396 WeakPolarHBondContact OD2-CE 3.36Å; D233-K396 IonicContact OD2-NZ 3.7Å; D233-K396 PolarHBondContact OD2-NZ 3.29Å; M234-K396 HydrophobicContact CB-CB 3.79Å; M234-K396 HydrophobicContact CG-CB 4.24Å; T392-K396 WeakPolarHBondContact O-CG 3.42Å; T392-K396 PolarHBondContact O-N 2.63Å; L393-K396 HydrophobicContact CD2-CD 4.34Å; L393-K396 PolarHBondContact O-N 3.11Å; K396-Y398 VanDerWaalsContact C-N 3.34Å; K396-Y398 PolarHBondContact O-N 3.19Å; K396-A399 PolarHBondContact O-N 2.87Å; K396-T400 PolarHBondContact O-N 2.68Å; K396-T400 PolarHBondContact O-OG1 3.05Å
397	V	98.2	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-36.7	175.4	-177.8	0	0	0	0	112.1	M234 C370 A373 I374 F377 L393 R394 E395 L401	M234-V397 HydrophobicContact CE-CG2 3.95Å; M234-V397 HydrophobicContact CG-CB 4.49Å; M234-V397 HydrophobicContact CG-CG2 3.73Å; M234-V397 HydrophobicContact SD-CG2 3.76Å; C370-V397 HydrophobicContact CB-CG1 4.08Å; C370-V397 WeakPolarHBondContact O-CG1 3.39Å; A373-V397 HydrophobicContact CB-CG1 4.02Å; A373-V397 HydrophobicContact CB-CG2 4.01Å; I374-V397 HydrophobicContact CD1-CG1 4.18Å; I374-V397 HydrophobicContact CG1-CB 4.24Å; I374-V397 HydrophobicContact CG1-CG1 3.71Å; F377-V397 HydrophobicContact CD2-CG2 4.14Å; F377-V397 HydrophobicContact CE2-CG2 4.28Å; L393-V397 WeakPolarHBondContact O-CG2 3.37Å; L393-V397 PolarHBondContact O-N 3.46Å; L393-V397 VanDerWaalsContact O-N 3.15Å; R394-V397 PolarHBondContact O-N 3.27Å; E395-V397 VanDerWaalsContact C-N 3.33Å; E395-V397 PolarHBondContact O-N 3.22Å; V397-L401 WeakPolarHBondContact O-CB 3.36Å; V397-L401 PolarHBondContact O-N 3.17Å
398	Y	98.1	Very high	97.6	Very high	67 Å²	67	52.7 Å²	52.7	26%	0.263	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-47.5	173.1	-67.2	-38.6	0	0	0	111.6	I374 R394 E395 K396 L401 E402 F416 L420	I374-Y398 HydrophobicContact CB-CE1 4.41Å; I374-Y398 HydrophobicContact CD1-CD1 3.65Å; I374-Y398 HydrophobicContact CD1-CE1 3.65Å; I374-Y398 HydrophobicContact CG1-CD1 3.9Å; I374-Y398 HydrophobicContact CG1-CE1 3.73Å; I374-Y398 HydrophobicContact CG2-CE1 3.74Å; R394-Y398 HydrophobicContact CG-CD2 4.3Å; R394-Y398 HydrophobicContact CG-CE1 4.4Å; R394-Y398 HydrophobicContact CG-CE2 3.7Å; R394-Y398 PolarHBondContact O-N 3.08Å; E395-Y398 WeakPolarHBondContact O-CB 3.42Å; E395-Y398 PolarHBondContact O-N 3Å; E395-Y398 VanDerWaalsContact O-N 3.14Å; K396-Y398 VanDerWaalsContact C-N 3.34Å; K396-Y398 PolarHBondContact O-N 3.19Å; Y398-L401 PolarHBondContact O-N 2.89Å; Y398-E402 WeakPolarHBondContact O-CB 3.37Å; Y398-E402 PolarHBondContact O-N 2.84Å; Y398-F416 WeakPolarHBondContact O-CE2 3.14Å; Y398-L420 HydrophobicContact CD1-CD2 4.1Å; Y398-L420 HydrophobicContact CE1-CD2 3.9Å
399	A	97.5	Very high	97.6	Very high	45 Å²	45	51.4 Å²	51.4	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-45.1	178.4	0	0	0	0	0	112.1	E395 K396 E402 A403	E395-A399 PolarHBondContact O-N 2.68Å; K396-A399 PolarHBondContact O-N 2.87Å; A399-E402 PolarHBondContact O-N 3.24Å; A399-A403 PolarHBondContact O-N 2.66Å
400	T	97.3	Very high	97.6	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-47.5	175.5	-68.3	0	0	0	0	112.1	M234 V236 K396 A403 Y404	M234-T400 WeakPolarHBondContact O-CB 3.43Å; M234-T400 WeakPolarHBondContact O-CG2 3.47Å; M234-T400 PolarHBondContact O-OG1 2.99Å; V236-T400 HydrophobicContact CB-CG2 3.64Å; V236-T400 HydrophobicContact CG2-CG2 4.38Å; K396-T400 PolarHBondContact O-N 2.68Å; K396-T400 PolarHBondContact O-OG1 3.05Å; T400-A403 PolarHBondContact O-N 3.31Å; T400-Y404 VanDerWaalsContact O-CB 3.29Å; T400-Y404 WeakPolarHBondContact O-CB 3.26Å; T400-Y404 PolarHBondContact O-N 2.89Å
401	L	98	Very high	97.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69	-35.5	179.7	-177.8	59.4	0	0	0	112.4	E367 C370 L371 I374 V397 Y398 T405 F416 L419	E367-L401 HydrophobicContact CG-CD1 4.26Å; C370-L401 HydrophobicContact CB-CB 3.97Å; C370-L401 HydrophobicContact CB-CD1 3.77Å; C370-L401 HydrophobicContact CB-CD2 3.91Å; C370-L401 HydrophobicContact CB-CG 4.08Å; L371-L401 HydrophobicContact CD2-CD2 4.27Å; I374-L401 HydrophobicContact CD1-CD2 4.21Å; V397-L401 WeakPolarHBondContact O-CB 3.36Å; V397-L401 PolarHBondContact O-N 3.17Å; Y398-L401 PolarHBondContact O-N 2.89Å; L401-T405 HydrophobicContact CD1-CG2 4.14Å; L401-T405 WeakPolarHBondContact O-CB 3.34Å; L401-T405 WeakPolarHBondContact O-CG2 3.28Å; L401-T405 PolarHBondContact O-N 3.32Å; L401-T405 PolarHBondContact O-OG1 3.47Å; L401-F416 HydrophobicContact CB-CD2 4.37Å; L401-F416 HydrophobicContact CB-CE2 4.07Å; L401-F416 HydrophobicContact CD2-CD2 4.29Å; L401-F416 HydrophobicContact CD2-CE2 4.21Å; L401-F416 HydrophobicContact CG-CD2 3.98Å; L401-F416 HydrophobicContact CG-CE2 4.07Å; L401-L419 HydrophobicContact CD1-CD1 4.1Å; L401-L419 HydrophobicContact CD2-CD1 4.48Å
402	E	97.9	Very high	97.5	Very high	73 Å²	73	59.8 Å²	59.8	34%	0.341	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-46.3	175.5	-162.2	-167.5	-176.4	0	0	111.1	Y398 A399 T405 K406 F416	Y398-E402 WeakPolarHBondContact O-CB 3.37Å; Y398-E402 PolarHBondContact O-N 2.84Å; A399-E402 PolarHBondContact O-N 3.24Å; E402-T405 PolarHBondContact O-N 3.36Å; E402-T405 PolarHBondContact O-OG1 2.98Å; E402-T405 VanDerWaalsContact O-OG1 3.05Å; E402-K406 HydrophobicContact CG-CD 4.31Å; E402-K406 WeakPolarHBondContact O-CB 3.4Å; E402-K406 VanDerWaalsContact O-CG 3.29Å; E402-K406 WeakPolarHBondContact O-CG 3.46Å; E402-K406 PolarHBondContact O-N 2.68Å; E402-K406 WeakPolarHBondContact OE1-CE 3.24Å; E402-K406 IonicContact OE1-NZ 3.34Å; E402-K406 PolarHBondContact OE1-NZ 2.6Å; E402-K406 IonicContact OE2-NZ 3.41Å; E402-K406 PolarHBondContact OE2-NZ 2.85Å; E402-F416 HydrophobicContact CB-CD1 4.41Å; E402-F416 HydrophobicContact CB-CD2 3.92Å; E402-F416 HydrophobicContact CB-CE1 4.3Å; E402-F416 HydrophobicContact CB-CE2 3.81Å; E402-F416 HydrophobicContact CB-CG 4.22Å; E402-F416 HydrophobicContact CB-CZ 4Å; E402-F416 HydrophobicContact CG-CD1 4.01Å; E402-F416 HydrophobicContact CG-CD2 4.26Å; E402-F416 HydrophobicContact CG-CE1 4.2Å; E402-F416 HydrophobicContact CG-CE2 4.44Å; E402-F416 HydrophobicContact CG-CG 4.04Å; E402-F416 HydrophobicContact CG-CZ 4.41Å
403	A	97.1	Very high	97.5	Very high	27 Å²	27	63.2 Å²	63.2	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-45.5	176.7	0	0	0	0	0	112.2	H231 A399 T400 T405 K406 Q407	H231-A403 WeakPolarHBondContact CE1-CB 3.33Å; A399-A403 PolarHBondContact O-N 2.66Å; T400-A403 PolarHBondContact O-N 3.31Å; A403-T405 VanDerWaalsContact C-N 3.33Å; A403-T405 PolarHBondContact O-N 3.48Å; A403-K406 PolarHBondContact O-N 3.45Å; A403-Q407 WeakPolarHBondContact O-CB 3.42Å; A403-Q407 PolarHBondContact O-N 3.41Å
404	Y	97.7	Very high	97.4	Very high	26 Å²	26	65.1 Å²	65.1	10%	0.102	34%	0.339	C	S	.	.	H	α-helix	trans	-56.5	-46	176.9	177	-96.3	0	0	0	111.9	V236 D364 S366 E367 T400 Q407 K408 Y409	V236-Y404 HydrophobicContact CB-CD2 4.45Å; V236-Y404 HydrophobicContact CG1-CD2 3.99Å; V236-Y404 HydrophobicContact CG2-CD2 3.81Å; V236-Y404 HydrophobicContact CG2-CE2 4.21Å; V236-Y404 HydrophobicContact CG2-CG 4.14Å; D364-Y404 PolarHBondContact OD1-OH 2.93Å; D364-Y404 PolarHBondContact OD2-OH 3.38Å; S366-Y404 VanDerWaalsContact CB-CZ 3.49Å; S366-Y404 WeakPolarHBondContact CB-OH 3.4Å; S366-Y404 PolarHBondContact OG-OH 2.87Å; E367-Y404 HydrophobicContact CG-CD1 4.21Å; E367-Y404 HydrophobicContact CG-CE1 3.76Å; T400-Y404 VanDerWaalsContact O-CB 3.29Å; T400-Y404 WeakPolarHBondContact O-CB 3.26Å; T400-Y404 PolarHBondContact O-N 2.89Å; Y404-Q407 PolarHBondContact O-N 3.39Å; Y404-K408 HydrophobicContact CE1-CD 3.93Å; Y404-K408 HydrophobicContact CE2-CD 3.99Å; Y404-K408 VanDerWaalsContact CZ-CD 3.43Å; Y404-K408 VanDerWaalsContact O-CB 3.31Å; Y404-K408 WeakPolarHBondContact O-CB 3.22Å; Y404-K408 PolarHBondContact O-N 2.91Å; Y404-K408 WeakPolarHBondContact OH-CD 3.43Å; Y404-K408 PolarHBondContact OH-NZ 3.26Å; Y404-Y409 HydrophobicContact CE1-CE2 4.34Å
405	T	97.7	Very high	97.4	Very high	6 Å²	6	64.5 Å²	64.5	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-39	178.6	50.7	0	0	0	0	112.7	L401 E402 A403 Y409 R415 L419	L401-T405 HydrophobicContact CD1-CG2 4.14Å; L401-T405 WeakPolarHBondContact O-CB 3.34Å; L401-T405 WeakPolarHBondContact O-CG2 3.28Å; L401-T405 PolarHBondContact O-N 3.32Å; L401-T405 PolarHBondContact O-OG1 3.47Å; E402-T405 PolarHBondContact O-N 3.36Å; E402-T405 PolarHBondContact O-OG1 2.98Å; E402-T405 VanDerWaalsContact O-OG1 3.05Å; A403-T405 VanDerWaalsContact C-N 3.33Å; A403-T405 PolarHBondContact O-N 3.48Å; T405-Y409 CarbonylContact O-C 3.48Å; T405-Y409 WeakPolarHBondContact O-CA 3.1Å; T405-Y409 WeakPolarHBondContact O-CB 3.41Å; T405-Y409 PolarHBondContact O-N 2.83Å; T405-R415 HydrophobicContact CG2-CG 4.27Å; T405-L419 HydrophobicContact CG2-CD1 3.64Å
406	K	97	Very high	97.4	Very high	125 Å²	125	61.6 Å²	61.6	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-40.8	172.4	-74.7	170.1	-178.4	165.4	0	112.5	E402 A403	E402-K406 HydrophobicContact CG-CD 4.31Å; E402-K406 WeakPolarHBondContact O-CB 3.4Å; E402-K406 VanDerWaalsContact O-CG 3.29Å; E402-K406 WeakPolarHBondContact O-CG 3.46Å; E402-K406 PolarHBondContact O-N 2.68Å; E402-K406 WeakPolarHBondContact OE1-CE 3.24Å; E402-K406 IonicContact OE1-NZ 3.34Å; E402-K406 PolarHBondContact OE1-NZ 2.6Å; E402-K406 IonicContact OE2-NZ 3.41Å; E402-K406 PolarHBondContact OE2-NZ 2.85Å; A403-K406 PolarHBondContact O-N 3.45Å
407	Q	97	Very high	97.5	Very high	166 Å²	166	60.9 Å²	60.9	78%	0.776	33%	0.325	S	S	*	.	H	α-helix	trans	-74.5	-47.5	-178.3	-175.9	-176.8	3.5	0	0	112.5	A403 Y404	A403-Q407 WeakPolarHBondContact O-CB 3.42Å; A403-Q407 PolarHBondContact O-N 3.41Å; Y404-Q407 PolarHBondContact O-N 3.39Å
408	K	97.4	Very high	97.5	Very high	102 Å²	102	65.7 Å²	65.7	44%	0.443	35%	0.346	S	S	.	.	H	α-helix	trans	-86.2	-28.2	-172.8	-170.6	175.4	-179.8	-171.3	0	113.6	D364 Y404 P410	D364-K408 IonicContact OD2-NZ 2.67Å; D364-K408 PolarHBondContact OD2-NZ 3.28Å; Y404-K408 HydrophobicContact CE1-CD 3.93Å; Y404-K408 HydrophobicContact CE2-CD 3.99Å; Y404-K408 VanDerWaalsContact CZ-CD 3.43Å; Y404-K408 VanDerWaalsContact O-CB 3.31Å; Y404-K408 WeakPolarHBondContact O-CB 3.22Å; Y404-K408 PolarHBondContact O-N 2.91Å; Y404-K408 WeakPolarHBondContact OH-CD 3.43Å; Y404-K408 PolarHBondContact OH-NZ 3.26Å; K408-P410 VanDerWaalsContact C-CD 3.42Å
409	Y	97.3	Very high	97.5	Very high	45 Å²	45	62.5 Å²	62.5	18%	0.176	33%	0.333	C	S	.	.			trans	-129.9	56.4	-176.2	-56.5	-82.7	0	0	0	112.2	D364 E367 Y404 T405 E411 Q412 R415	D364-Y409 PolarHBondContact OD2-OH 2.74Å; E367-Y409 VanDerWaalsContact OE1-CE2 3.26Å; E367-Y409 WeakPolarHBondContact OE1-CE2 3.38Å; Y404-Y409 HydrophobicContact CE1-CE2 4.34Å; T405-Y409 CarbonylContact O-C 3.48Å; T405-Y409 WeakPolarHBondContact O-CA 3.1Å; T405-Y409 WeakPolarHBondContact O-CB 3.41Å; T405-Y409 PolarHBondContact O-N 2.83Å; Y409-E411 PolarHBondContact O-N 3.15Å; Y409-Q412 PolarHBondContact O-N 3.44Å; Y409-R415 VanDerWaalsContact CD2-CD 3.41Å; Y409-R415 VanDerWaalsContact CD2-NE 3.28Å
410	P	97.1	Very high	97.6	Very high	86 Å²	86	61.9 Å²	61.9	56%	0.558	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.8	-177.8	24.9	-34.9	0	0	0	113	K408 Q412	K408-P410 VanDerWaalsContact C-CD 3.42Å; P410-Q412 PolarHBondContact O-N 3.16Å
411	E	97.5	Very high	97.6	Very high	171 Å²	171	65.6 Å²	65.6	80%	0.799	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.7	174.9	-56.1	-55.3	141.6	0	0	114.1	Y409 P413	Y409-E411 PolarHBondContact O-N 3.15Å; E411-P413 VanDerWaalsContact C-CD 3.48Å; E411-P413 WeakPolarHBondContact O-CD 3.32Å
412	Q	97.1	Very high	97.6	Very high	83 Å²	83	68 Å²	68	39%	0.388	35%	0.352	S	S	.	.			trans	-125.1	66.8	-176.7	-57.1	-177.3	25.3	0	0	111.4	Y409 P410 G414 R415	Y409-Q412 PolarHBondContact O-N 3.44Å; P410-Q412 PolarHBondContact O-N 3.16Å; Q412-G414 PolarHBondContact O-N 2.8Å; Q412-R415 HydrophobicContact CB-CB 3.89Å; Q412-R415 WeakPolarHBondContact O-CB 3.34Å; Q412-R415 PolarHBondContact O-N 2.96Å
413	P	95.8	Very high	97.6	Very high	127 Å²	127	65.9 Å²	65.9	83%	0.825	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.6	-176.2	22.8	-34.4	0	0	0	114	E411	E411-P413 VanDerWaalsContact C-CD 3.48Å; E411-P413 WeakPolarHBondContact O-CD 3.32Å
414	G	96.8	Very high	97.7	Very high	48 Å²	48	68.3 Å²	68.3	50%	0.495	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	0.8	174	0	0	0	0	0	115.6	Q412 A417 K418	Q412-G414 PolarHBondContact O-N 2.8Å; G414-A417 PolarHBondContact O-N 3.36Å; G414-K418 WeakPolarHBondContact O-CB 3.45Å; G414-K418 PolarHBondContact O-N 2.91Å
415	R	98.2	Very high	97.7	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-45	-170.3	-170.4	171.3	-179.8	92.8	2.1	112.8	M361 Q362 E367 T405 Y409 Q412 A417 K418 L419	M361-R415 PolarHBondContact O-NH1 3.05Å; M361-R415 PolarHBondContact O-NH2 3.15Å; Q362-R415 PolarHBondContact O-NH2 3.38Å; E367-R415 VanDerWaalsContact CD-NH2 3.32Å; E367-R415 IonicContact OE1-CZ 3.31Å; E367-R415 VanDerWaalsContact OE1-CZ 3.31Å; E367-R415 IonicContact OE1-NE 2.67Å; E367-R415 PolarHBondContact OE1-NE 3.09Å; E367-R415 IonicContact OE1-NH2 3.11Å; E367-R415 PolarHBondContact OE1-NH2 3.15Å; E367-R415 VanDerWaalsContact OE1-NH2 3.11Å; E367-R415 IonicContact OE2-CZ 3.67Å; E367-R415 IonicContact OE2-NE 3.8Å; E367-R415 IonicContact OE2-NH2 2.74Å; E367-R415 PolarHBondContact OE2-NH2 2.87Å; T405-R415 HydrophobicContact CG2-CG 4.27Å; Y409-R415 VanDerWaalsContact CD2-CD 3.41Å; Y409-R415 VanDerWaalsContact CD2-NE 3.28Å; Q412-R415 HydrophobicContact CB-CB 3.89Å; Q412-R415 WeakPolarHBondContact O-CB 3.34Å; Q412-R415 PolarHBondContact O-N 2.96Å; R415-A417 PolarHBondContact O-N 2.89Å; R415-K418 PolarHBondContact O-N 2.89Å; R415-K418 VanDerWaalsContact O-N 3.15Å; R415-L419 HydrophobicContact CG-CD1 4.27Å; R415-L419 HydrophobicContact CG-CG 4.49Å; R415-L419 WeakPolarHBondContact O-CG 3.45Å; R415-L419 PolarHBondContact O-N 3.03Å
416	F	98.3	Very high	97.8	Very high	41 Å²	41	67.9 Å²	67.9	18%	0.18	36%	0.358	C	S	.	.	H	α-helix	trans	-51.9	-53.5	174.2	179.8	-115.5	0	0	0	112	Y398 L401 E402 K418 L419 L420	Y398-F416 WeakPolarHBondContact O-CE2 3.14Å; L401-F416 HydrophobicContact CB-CD2 4.37Å; L401-F416 HydrophobicContact CB-CE2 4.07Å; L401-F416 HydrophobicContact CD2-CD2 4.29Å; L401-F416 HydrophobicContact CD2-CE2 4.21Å; L401-F416 HydrophobicContact CG-CD2 3.98Å; L401-F416 HydrophobicContact CG-CE2 4.07Å; E402-F416 HydrophobicContact CB-CD1 4.41Å; E402-F416 HydrophobicContact CB-CD2 3.92Å; E402-F416 HydrophobicContact CB-CE1 4.3Å; E402-F416 HydrophobicContact CB-CE2 3.81Å; E402-F416 HydrophobicContact CB-CG 4.22Å; E402-F416 HydrophobicContact CB-CZ 4Å; E402-F416 HydrophobicContact CG-CD1 4.01Å; E402-F416 HydrophobicContact CG-CD2 4.26Å; E402-F416 HydrophobicContact CG-CE1 4.2Å; E402-F416 HydrophobicContact CG-CE2 4.44Å; E402-F416 HydrophobicContact CG-CG 4.04Å; E402-F416 HydrophobicContact CG-CZ 4.41Å; F416-K418 PolarHBondContact O-N 3.2Å; F416-L419 WeakPolarHBondContact O-CB 3.41Å; F416-L419 PolarHBondContact O-N 3.46Å; F416-L420 HydrophobicContact CD1-CD1 4.23Å; F416-L420 HydrophobicContact CE1-CD1 3.67Å; F416-L420 HydrophobicContact CE2-CD1 4.18Å; F416-L420 HydrophobicContact CE2-CG 4.4Å; F416-L420 HydrophobicContact CZ-CD1 3.65Å; F416-L420 HydrophobicContact CZ-CG 4.35Å; F416-L420 PolarHBondContact O-N 3.02Å
417	A	98.4	Very high	97.8	Very high	30 Å²	30	65 Å²	65	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-39.9	177.9	0	0	0	0	0	112.4	F11 G414 R415 L419 L420 L421	F11-A417 HydrophobicContact CZ-CB 4.37Å; G414-A417 PolarHBondContact O-N 3.36Å; R415-A417 PolarHBondContact O-N 2.89Å; A417-L419 VanDerWaalsContact C-N 3.33Å; A417-L419 PolarHBondContact O-N 3.13Å; A417-L420 PolarHBondContact O-N 3.05Å; A417-L421 WeakPolarHBondContact O-CB 3.14Å; A417-L421 VanDerWaalsContact O-CG 3.23Å; A417-L421 WeakPolarHBondContact O-CG 3.3Å; A417-L421 PolarHBondContact O-N 3.07Å
418	K	97.9	Very high	97.8	Very high	102 Å²	102	59.7 Å²	59.7	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-36	177.7	-170.7	178.4	175.5	-175.8	0	112.6	M361 G414 R415 F416 R422	M361-K418 HydrophobicContact CE-CB 4.14Å; M361-K418 HydrophobicContact CE-CD 3.99Å; M361-K418 HydrophobicContact CE-CG 3.79Å; G414-K418 WeakPolarHBondContact O-CB 3.45Å; G414-K418 PolarHBondContact O-N 2.91Å; R415-K418 PolarHBondContact O-N 2.89Å; R415-K418 VanDerWaalsContact O-N 3.15Å; F416-K418 PolarHBondContact O-N 3.2Å; K418-R422 PolarHBondContact O-NE 3.04Å
419	L	98.6	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-51.7	173.1	-70.8	168.1	0	0	0	111.1	M361 M363 E367 L371 L401 T405 R415 F416 A417 L421 R422	M361-L419 HydrophobicContact CE-CB 4.5Å; M361-L419 HydrophobicContact CE-CD2 3.36Å; M361-L419 HydrophobicContact CE-CG 3.67Å; M361-L419 HydrophobicContact SD-CD2 4.1Å; M363-L419 HydrophobicContact CE-CD2 3.68Å; M363-L419 HydrophobicContact CG-CD2 4.18Å; E367-L419 HydrophobicContact CB-CD1 4.13Å; E367-L419 HydrophobicContact CB-CD2 4.03Å; E367-L419 HydrophobicContact CG-CD1 3.88Å; E367-L419 HydrophobicContact CG-CD2 4.45Å; L371-L419 HydrophobicContact CD1-CB 4.24Å; L371-L419 HydrophobicContact CD1-CD2 4.16Å; L371-L419 HydrophobicContact CD2-CB 4.26Å; L401-L419 HydrophobicContact CD1-CD1 4.1Å; L401-L419 HydrophobicContact CD2-CD1 4.48Å; T405-L419 HydrophobicContact CG2-CD1 3.64Å; R415-L419 HydrophobicContact CG-CD1 4.27Å; R415-L419 HydrophobicContact CG-CG 4.49Å; R415-L419 WeakPolarHBondContact O-CG 3.45Å; R415-L419 PolarHBondContact O-N 3.03Å; F416-L419 WeakPolarHBondContact O-CB 3.41Å; F416-L419 PolarHBondContact O-N 3.46Å; A417-L419 VanDerWaalsContact C-N 3.33Å; A417-L419 PolarHBondContact O-N 3.13Å; L419-L421 PolarHBondContact O-N 3.07Å; L419-R422 VanDerWaalsContact O-CB 3.26Å; L419-R422 WeakPolarHBondContact O-CB 3.49Å; L419-R422 WeakPolarHBondContact O-CG 3.44Å; L419-R422 PolarHBondContact O-N 3.13Å
420	L	98.6	Very high	97.8	Very high	31 Å²	31	52.7 Å²	52.7	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-35.7	177.6	-66.6	-176.9	0	0	0	112.4	L371 I374 Y398 F416 A417 R422 L423 P424	L371-L420 HydrophobicContact CD2-CD2 4.27Å; I374-L420 HydrophobicContact CD1-CD2 3.8Å; Y398-L420 HydrophobicContact CD1-CD2 4.1Å; Y398-L420 HydrophobicContact CE1-CD2 3.9Å; F416-L420 HydrophobicContact CD1-CD1 4.23Å; F416-L420 HydrophobicContact CE1-CD1 3.67Å; F416-L420 HydrophobicContact CE2-CD1 4.18Å; F416-L420 HydrophobicContact CE2-CG 4.4Å; F416-L420 HydrophobicContact CZ-CD1 3.65Å; F416-L420 HydrophobicContact CZ-CG 4.35Å; F416-L420 PolarHBondContact O-N 3.02Å; A417-L420 PolarHBondContact O-N 3.05Å; L420-R422 PolarHBondContact O-N 3.24Å; L420-L423 HydrophobicContact CD2-CD1 4.11Å; L420-L423 WeakPolarHBondContact O-CB 3.43Å; L420-L423 WeakPolarHBondContact O-CG 3.38Å; L420-L423 PolarHBondContact O-N 3.37Å; L420-P424 WeakPolarHBondContact O-CD 3.47Å
421	L	98.3	Very high	97.7	Very high	84 Å²	84	53 Å²	53	44%	0.44	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	0.2	174.1	-73.6	170.1	0	0	0	114.5	M9 A417 L419	M9-L421 HydrophobicContact CE-CD2 4.03Å; A417-L421 WeakPolarHBondContact O-CB 3.14Å; A417-L421 VanDerWaalsContact O-CG 3.23Å; A417-L421 WeakPolarHBondContact O-CG 3.3Å; A417-L421 PolarHBondContact O-N 3.07Å; L419-L421 PolarHBondContact O-N 3.07Å
422	R	98.4	Very high	97.5	Very high	52 Å²	52	48.5 Å²	48.5	20%	0.196	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-29.1	166.5	-56.8	-58.2	82.7	-139.9	-3.9	112.2	E353 M361 M363 K418 L419 L420 A425 L426	E353-R422 PolarHBondContact O-NH1 2.97Å; M361-R422 HydrophobicContact SD-CG 4.47Å; M363-R422 HydrophobicContact CE-CG 4.06Å; K418-R422 PolarHBondContact O-NE 3.04Å; L419-R422 VanDerWaalsContact O-CB 3.26Å; L419-R422 WeakPolarHBondContact O-CB 3.49Å; L419-R422 WeakPolarHBondContact O-CG 3.44Å; L419-R422 PolarHBondContact O-N 3.13Å; L420-R422 PolarHBondContact O-N 3.24Å; R422-A425 PolarHBondContact O-N 3.46Å; R422-L426 PolarHBondContact O-N 3.39Å
423	L	98.5	Very high	97.3	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-39.8	-175.3	-58.4	173.1	0	0	0	114.1	L371 I374 V375 L420 A425 L426 R427	L371-L423 HydrophobicContact CB-CD2 4.37Å; L371-L423 HydrophobicContact CD2-CD1 4.28Å; L371-L423 HydrophobicContact CD2-CD2 4.12Å; L371-L423 HydrophobicContact CD2-CG 4.16Å; I374-L423 HydrophobicContact CG2-CD1 3.69Å; V375-L423 HydrophobicContact CG2-CD2 3.78Å; L420-L423 HydrophobicContact CD2-CD1 4.11Å; L420-L423 WeakPolarHBondContact O-CB 3.43Å; L420-L423 WeakPolarHBondContact O-CG 3.38Å; L420-L423 PolarHBondContact O-N 3.37Å; L423-A425 PolarHBondContact O-N 3.11Å; L423-L426 HydrophobicContact CD2-CD2 4.46Å; L423-L426 PolarHBondContact O-N 2.87Å; L423-R427 WeakPolarHBondContact O-CB 3.33Å; L423-R427 PolarHBondContact O-N 3.38Å
424	P	98.4	Very high	97.1	Very high	78 Å²	78	41.5 Å²	41.5	51%	0.506	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-37.3	177.5	-24.1	35.5	0	0	0	113.7	L420 S428	L420-P424 WeakPolarHBondContact O-CD 3.47Å; P424-S428 WeakPolarHBondContact O-CB 3.38Å; P424-S428 PolarHBondContact O-N 2.88Å
425	A	97.9	Very high	96.7	Very high	15 Å²	15	44.3 Å²	44.3	12%	0.124	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-44.3	175.6	0	0	0	0	0	110.8	E353 L354 R422 L423 R427 S428 I429	E353-A425 HydrophobicContact CB-CB 4.18Å; L354-A425 HydrophobicContact CD2-CB 4.31Å; R422-A425 PolarHBondContact O-N 3.46Å; L423-A425 PolarHBondContact O-N 3.11Å; A425-R427 PolarHBondContact O-N 3.28Å; A425-S428 PolarHBondContact O-N 3.25Å; A425-I429 WeakPolarHBondContact O-CB 3.12Å; A425-I429 WeakPolarHBondContact O-CG1 3.35Å; A425-I429 PolarHBondContact O-N 3.05Å
426	L	98.5	Very high	96.2	Very high	9 Å²	9	46 Å²	46	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-47.6	174.7	-178.1	63.1	0	0	0	111.7	E308 I311 A312 L354 V375 R422 L423 I429 G430	E308-L426 HydrophobicContact CB-CD2 4.23Å; E308-L426 HydrophobicContact CB-CG 4.12Å; E308-L426 HydrophobicContact CG-CG 4.35Å; I311-L426 HydrophobicContact CB-CD1 4.01Å; I311-L426 HydrophobicContact CG2-CD1 3.62Å; A312-L426 HydrophobicContact CB-CD1 4.23Å; A312-L426 HydrophobicContact CB-CD2 3.97Å; L354-L426 HydrophobicContact CD1-CD1 3.97Å; L354-L426 HydrophobicContact CD2-CB 4.25Å; V375-L426 HydrophobicContact CG2-CD2 4.05Å; R422-L426 PolarHBondContact O-N 3.39Å; L423-L426 HydrophobicContact CD2-CD2 4.46Å; L423-L426 PolarHBondContact O-N 2.87Å; L426-I429 PolarHBondContact O-N 2.91Å; L426-G430 PolarHBondContact O-N 3.42Å
427	R	97.8	Very high	95.6	Very high	65 Å²	65	45.3 Å²	45.3	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-46	175.3	176.3	56.5	55.8	92	-12.5	112.7	E308 L423 A425 I429 G430 L431	E308-R427 IonicContact OE1-CZ 3.9Å; E308-R427 IonicContact OE1-NE 3.79Å; E308-R427 PolarHBondContact OE1-NE 2.89Å; E308-R427 IonicContact OE1-NH2 2.67Å; E308-R427 PolarHBondContact OE1-NH2 3.06Å; E308-R427 WeakPolarHBondContact OE2-CA 3.48Å; E308-R427 WeakPolarHBondContact OE2-CB 3.27Å; E308-R427 IonicContact OE2-CZ 3.16Å; E308-R427 PolarHBondContact OE2-N 3.16Å; E308-R427 IonicContact OE2-NE 2.77Å; E308-R427 PolarHBondContact OE2-NE 3.04Å; E308-R427 IonicContact OE2-NH2 2.73Å; L423-R427 WeakPolarHBondContact O-CB 3.33Å; L423-R427 PolarHBondContact O-N 3.38Å; A425-R427 PolarHBondContact O-N 3.28Å; R427-I429 VanDerWaalsContact C-N 3.33Å; R427-I429 PolarHBondContact O-N 3.41Å; R427-G430 PolarHBondContact O-N 3.04Å; R427-L431 HydrophobicContact CG-CD1 4.24Å; R427-L431 WeakPolarHBondContact O-CB 3.19Å; R427-L431 WeakPolarHBondContact O-CG 3.47Å; R427-L431 PolarHBondContact O-N 2.89Å
428	S	98	Very high	94.8	Very high	53 Å²	53	48 Å²	48	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-38.3	178.9	179.1	0	0	0	0	112.6	R349 P424 A425 K432	R349-S428 PolarHBondContact NH1-OG 2.97Å; R349-S428 PolarHBondContact NH2-OG 3.46Å; P424-S428 WeakPolarHBondContact O-CB 3.38Å; P424-S428 PolarHBondContact O-N 2.88Å; A425-S428 PolarHBondContact O-N 3.25Å; S428-K432 PolarHBondContact O-N 3.45Å
429	I	98	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72.8	-47.8	176.4	-72.7	169.3	0	0	0	110.3	I311 I346 R349 V350 E353 L354 A425 L426 R427 L431 K432 C433	I311-I429 HydrophobicContact CD1-CG2 4.43Å; I311-I429 HydrophobicContact CG2-CG2 4.2Å; I346-I429 HydrophobicContact CD1-CB 4.37Å; I346-I429 HydrophobicContact CD1-CG1 4.33Å; I346-I429 HydrophobicContact CD1-CG2 4Å; R349-I429 HydrophobicContact CB-CD1 4.14Å; R349-I429 HydrophobicContact CB-CG1 4.19Å; V350-I429 HydrophobicContact CG2-CG2 3.6Å; E353-I429 HydrophobicContact CB-CD1 4.03Å; L354-I429 HydrophobicContact CD1-CD1 3.83Å; L354-I429 HydrophobicContact CD1-CG2 4.37Å; L354-I429 HydrophobicContact CD2-CD1 4.3Å; L354-I429 HydrophobicContact CG-CD1 3.77Å; A425-I429 WeakPolarHBondContact O-CB 3.12Å; A425-I429 WeakPolarHBondContact O-CG1 3.35Å; A425-I429 PolarHBondContact O-N 3.05Å; L426-I429 PolarHBondContact O-N 2.91Å; R427-I429 VanDerWaalsContact C-N 3.33Å; R427-I429 PolarHBondContact O-N 3.41Å; I429-L431 PolarHBondContact O-N 3.25Å; I429-K432 CarbonylContact O-C 3.52Å; I429-K432 WeakPolarHBondContact O-CA 3.29Å; I429-K432 PolarHBondContact O-N 3.32Å; I429-C433 PolarHBondContact O-N 3.25Å; I429-C433 PolarHBondContact O-SG 3.27Å; I429-C433 VanDerWaalsContact O-SG 3.36Å
430	G	96.9	Very high	93.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-42.8	-179	0	0	0	0	0	113.4	N307 L426 R427 C433 L434	N307-G430 VanDerWaalsContact ND2-C 3.26Å; N307-G430 PolarHBondContact ND2-O 3.07Å; L426-G430 PolarHBondContact O-N 3.42Å; R427-G430 PolarHBondContact O-N 3.04Å; G430-C433 PolarHBondContact O-N 3.28Å; G430-L434 PolarHBondContact O-N 3.49Å; G430-L434 VanDerWaalsContact O-N 3.11Å
431	L	94.1	Very high	92.3	Very high	93 Å²	93	52.2 Å²	52.2	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-42.1	172.7	-70.3	172.3	0	0	0	111.6	R427 I429 L434 E435	R427-L431 HydrophobicContact CG-CD1 4.24Å; R427-L431 WeakPolarHBondContact O-CB 3.19Å; R427-L431 WeakPolarHBondContact O-CG 3.47Å; R427-L431 PolarHBondContact O-N 2.89Å; I429-L431 PolarHBondContact O-N 3.25Å; L431-L434 WeakPolarHBondContact O-CB 3.29Å; L431-L434 PolarHBondContact O-N 2.98Å; L431-E435 PolarHBondContact O-N 3.31Å; L431-E435 VanDerWaalsContact O-N 3.13Å
432	K	93.9	Very high	91.3	Very high	76 Å²	76	55.4 Å²	55.4	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-67.7	-37.2	178.8	-172	60.2	-173.5	174.7	0	112.3	I346 S428 I429 L434 E435 H436	I346-K432 HydrophobicContact CD1-CB 3.86Å; I346-K432 HydrophobicContact CD1-CG 3.85Å; I346-K432 HydrophobicContact CG1-CG 4.29Å; S428-K432 PolarHBondContact O-N 3.45Å; I429-K432 CarbonylContact O-C 3.52Å; I429-K432 WeakPolarHBondContact O-CA 3.29Å; I429-K432 PolarHBondContact O-N 3.32Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 3.37Å; K432-E435 VanDerWaalsContact CD-OE2 3.25Å; K432-E435 WeakPolarHBondContact CD-OE2 3.07Å; K432-E435 WeakPolarHBondContact CE-OE2 3.41Å; K432-E435 IonicContact NZ-OE2 3.94Å; K432-E435 PolarHBondContact NZ-OE2 3.05Å; K432-E435 WeakPolarHBondContact O-CB 3.37Å; K432-E435 PolarHBondContact O-N 3.19Å; K432-H436 PolarHBondContact O-CD2 2.87Å; K432-H436 PolarHBondContact O-N 3.21Å
433	C	93.3	Very high	90.4	Very high	29 Å²	29	56.9 Å²	56.9	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-39.2	172.3	-68.7	0	0	0	0	112.1	I311 I429 G430 H436 L437	I311-C433 HydrophobicContact CD1-CB 4.07Å; I429-C433 PolarHBondContact O-N 3.25Å; I429-C433 PolarHBondContact O-SG 3.27Å; I429-C433 VanDerWaalsContact O-SG 3.36Å; G430-C433 PolarHBondContact O-N 3.28Å; C433-H436 PolarHBondContact O-N 3.11Å; C433-L437 WeakPolarHBondContact O-CG 3.44Å; C433-L437 PolarHBondContact O-N 2.84Å
434	L	90.1	Very high	89.1	Confident	34 Å²	34	58.2 Å²	58.2	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-41.7	173.9	-70.9	173.3	0	0	0	112.1	W306 N307 G430 L431 K432 H436 L437 F438 L456	W306-L434 HydrophobicContact CH2-CD2 4.47Å; W306-L434 HydrophobicContact CZ2-CD2 3.71Å; N307-L434 HydrophobicContact CB-CD2 4.32Å; N307-L434 HydrophobicContact CB-CG 4.47Å; N307-L434 WeakPolarHBondContact ND2-CD1 3.46Å; N307-L434 WeakPolarHBondContact ND2-CG 3.22Å; G430-L434 PolarHBondContact O-N 3.49Å; G430-L434 VanDerWaalsContact O-N 3.11Å; L431-L434 WeakPolarHBondContact O-CB 3.29Å; L431-L434 PolarHBondContact O-N 2.98Å; K432-L434 VanDerWaalsContact C-N 3.32Å; K432-L434 PolarHBondContact O-N 3.37Å; L434-H436 VanDerWaalsContact C-N 3.29Å; L434-H436 PolarHBondContact O-N 3.12Å; L434-L437 PolarHBondContact O-N 3.25Å; L434-F438 HydrophobicContact CB-CD2 4.37Å; L434-F438 HydrophobicContact CB-CE2 4.21Å; L434-F438 WeakPolarHBondContact O-CD2 3.14Å; L434-F438 PolarHBondContact O-N 2.77Å; L434-L456 HydrophobicContact CD2-CD2 3.9Å
435	E	88.9	Confident	87.7	Confident	108 Å²	108	61 Å²	61	51%	0.505	32%	0.317	S	S	.	.	H	α-helix	trans	-55.8	-43.7	174	-67.7	175.2	-159.8	0	0	112.1	L431 K432 F439	L431-E435 PolarHBondContact O-N 3.31Å; L431-E435 VanDerWaalsContact O-N 3.13Å; K432-E435 VanDerWaalsContact CD-OE2 3.25Å; K432-E435 WeakPolarHBondContact CD-OE2 3.07Å; K432-E435 WeakPolarHBondContact CE-OE2 3.41Å; K432-E435 IonicContact NZ-OE2 3.94Å; K432-E435 PolarHBondContact NZ-OE2 3.05Å; K432-E435 WeakPolarHBondContact O-CB 3.37Å; K432-E435 PolarHBondContact O-N 3.19Å; E435-F439 WeakPolarHBondContact O-CB 3.09Å; E435-F439 PolarHBondContact O-N 3.43Å; E435-F439 VanDerWaalsContact O-N 3.07Å
436	H	87.3	Confident	86.2	Confident	38 Å²	38	60.9 Å²	60.9	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-43.9	175.8	-76.3	-77.8	0	0	0	112.2	K432 C433 L434 F438 F439 F440	K432-H436 PolarHBondContact O-CD2 2.87Å; K432-H436 PolarHBondContact O-N 3.21Å; C433-H436 PolarHBondContact O-N 3.11Å; L434-H436 VanDerWaalsContact C-N 3.29Å; L434-H436 PolarHBondContact O-N 3.12Å; H436-F438 PolarHBondContact O-N 3.47Å; H436-F439 WeakPolarHBondContact O-CB 3.25Å; H436-F439 PolarHBondContact O-N 3.03Å; H436-F440 HydrophobicContact CB-CD2 4.48Å; H436-F440 HydrophobicContact CB-CE2 4.12Å; H436-F440 WeakPolarHBondContact O-CD2 3.45Å; H436-F440 WeakPolarHBondContact O-CG 3.29Å; H436-F440 PolarHBondContact O-N 2.93Å
437	L	85.7	Confident	84.9	Confident	27 Å²	27	64.4 Å²	64.4	14%	0.141	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-38.4	177.6	-71.9	172.7	0	0	0	112.7	W306 C433 L434 F439 F440 K441 L456	W306-L437 HydrophobicContact CH2-CD1 3.74Å; W306-L437 HydrophobicContact CZ2-CD1 4.39Å; C433-L437 WeakPolarHBondContact O-CG 3.44Å; C433-L437 PolarHBondContact O-N 2.84Å; L434-L437 PolarHBondContact O-N 3.25Å; L437-F439 VanDerWaalsContact C-N 3.34Å; L437-F440 PolarHBondContact O-N 3.44Å; L437-K441 VanDerWaalsContact O-CB 3.32Å; L437-K441 WeakPolarHBondContact O-CB 3.2Å; L437-K441 PolarHBondContact O-N 3.29Å; L437-L456 HydrophobicContact CB-CD1 4.25Å; L437-L456 HydrophobicContact CB-CD2 4.01Å; L437-L456 HydrophobicContact CD1-CD2 4.35Å
438	F	82.8	Confident	83.7	Confident	86 Å²	86	62.2 Å²	62.2	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-39.7	172.5	-77	-59.3	0	0	0	112	L434 H436 K441 L442 L456	L434-F438 HydrophobicContact CB-CD2 4.37Å; L434-F438 HydrophobicContact CB-CE2 4.21Å; L434-F438 WeakPolarHBondContact O-CD2 3.14Å; L434-F438 PolarHBondContact O-N 2.77Å; H436-F438 PolarHBondContact O-N 3.47Å; F438-K441 PolarHBondContact O-N 3.18Å; F438-L442 WeakPolarHBondContact O-CB 3.34Å; F438-L442 VanDerWaalsContact O-CG 3.26Å; F438-L442 WeakPolarHBondContact O-CG 3.45Å; F438-L442 PolarHBondContact O-N 2.85Å; F438-L456 HydrophobicContact CE1-CB 4.33Å; F438-L456 HydrophobicContact CE1-CD2 4.38Å; F438-L456 WeakPolarHBondContact CE1-O 3.35Å; F438-L456 HydrophobicContact CZ-CD2 4.38Å
439	F	82.9	Confident	82.6	Confident	122 Å²	122	62.8 Å²	62.8	54%	0.535	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-48.3	175.3	-178	-102.3	0	0	0	111.8	E435 H436 L437 K441 L442 I443	E435-F439 WeakPolarHBondContact O-CB 3.09Å; E435-F439 PolarHBondContact O-N 3.43Å; E435-F439 VanDerWaalsContact O-N 3.07Å; H436-F439 WeakPolarHBondContact O-CB 3.25Å; H436-F439 PolarHBondContact O-N 3.03Å; L437-F439 VanDerWaalsContact C-N 3.34Å; F439-K441 PolarHBondContact O-N 3.01Å; F439-L442 PolarHBondContact O-N 2.85Å; F439-I443 HydrophobicContact CD1-CD1 3.8Å; F439-I443 HydrophobicContact CD2-CD1 4.19Å; F439-I443 HydrophobicContact CE1-CD1 3.37Å; F439-I443 HydrophobicContact CE2-CD1 3.79Å; F439-I443 HydrophobicContact CG-CD1 4.2Å; F439-I443 HydrophobicContact CZ-CD1 3.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.44Å; F439-I443 PolarHBondContact O-N 3.09Å; F439-I443 VanDerWaalsContact O-N 3.13Å
440	F	82	Confident	81.4	Confident	37 Å²	37	68.4 Å²	68.4	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.9	-64.6	-53.7	0	0	0	112.4	V266 V343 H436 L437 L442 I443 G444	V266-F440 HydrophobicContact CG1-CD2 3.93Å; V266-F440 HydrophobicContact CG1-CE2 3.67Å; V266-F440 HydrophobicContact CG1-CZ 4.05Å; V266-F440 HydrophobicContact CG2-CZ 4.25Å; V343-F440 HydrophobicContact CG1-CE2 4.13Å; V343-F440 HydrophobicContact CG1-CZ 3.83Å; H436-F440 HydrophobicContact CB-CD2 4.48Å; H436-F440 HydrophobicContact CB-CE2 4.12Å; H436-F440 WeakPolarHBondContact O-CD2 3.45Å; H436-F440 WeakPolarHBondContact O-CG 3.29Å; H436-F440 PolarHBondContact O-N 2.93Å; L437-F440 PolarHBondContact O-N 3.44Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 3.48Å; F440-I443 PolarHBondContact O-N 3.44Å; F440-G444 PolarHBondContact O-N 3.29Å
441	K	77.5	Confident	80.3	Confident	63 Å²	63	70.3 Å²	70.3	27%	0.274	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-38.9	173.9	-176.7	172.7	-178.1	171.9	0	112.7	L437 F438 F439 I448 L456 E457	L437-K441 VanDerWaalsContact O-CB 3.32Å; L437-K441 WeakPolarHBondContact O-CB 3.2Å; L437-K441 PolarHBondContact O-N 3.29Å; F438-K441 PolarHBondContact O-N 3.18Å; F439-K441 PolarHBondContact O-N 3.01Å; K441-I448 HydrophobicContact CB-CD1 3.86Å; K441-L456 HydrophobicContact CD-CD1 4.41Å; K441-E457 IonicContact NZ-OE1 2.68Å; K441-E457 PolarHBondContact NZ-OE1 3.37Å
442	L	76	Confident	79.3	Confident	151 Å²	151	65.9 Å²	65.9	79%	0.791	35%	0.35	S	S	*	.	H	α-helix	trans	-73.2	-29.5	-179.1	-77.7	168.5	0	0	0	113.3	F438 F439 F440	F438-L442 WeakPolarHBondContact O-CB 3.34Å; F438-L442 VanDerWaalsContact O-CG 3.26Å; F438-L442 WeakPolarHBondContact O-CG 3.45Å; F438-L442 PolarHBondContact O-N 2.85Å; F439-L442 PolarHBondContact O-N 2.85Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 3.48Å
443	I	80.1	Confident	78.3	Confident	84 Å²	84	65.4 Å²	65.4	43%	0.431	35%	0.35	S	S	.	.	H	α-helix	trans	-85.8	-40.8	178.9	-62.1	172.1	0	0	0	111.1	F439 F440 D445	F439-I443 HydrophobicContact CD1-CD1 3.8Å; F439-I443 HydrophobicContact CD2-CD1 4.19Å; F439-I443 HydrophobicContact CE1-CD1 3.37Å; F439-I443 HydrophobicContact CE2-CD1 3.79Å; F439-I443 HydrophobicContact CG-CD1 4.2Å; F439-I443 HydrophobicContact CZ-CD1 3.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.44Å; F439-I443 PolarHBondContact O-N 3.09Å; F439-I443 VanDerWaalsContact O-N 3.13Å; F440-I443 PolarHBondContact O-N 3.44Å; I443-D445 HydrophobicContact CG2-CB 4.16Å; I443-D445 VanDerWaalsContact CG2-CG 3.42Å; I443-D445 VanDerWaalsContact CG2-OD2 3.25Å; I443-D445 WeakPolarHBondContact CG2-OD2 3.5Å
444	G	70.8	Confident	77.5	Confident	55 Å²	55	68.5 Å²	68.5	57%	0.567	36%	0.362	S	S	*	.			trans	87.1	3.3	-179.3	0	0	0	0	0	115.3	F440 T446	F440-G444 PolarHBondContact O-N 3.29Å; G444-T446 VanDerWaalsContact C-N 3.29Å; G444-T446 PolarHBondContact O-N 2.98Å
445	D	68.9	Low	76.8	Confident	135 Å²	135	68 Å²	68	72%	0.722	36%	0.359	S	S	*	.			trans	-68.6	-23.3	-179.4	-73.3	-14.5	0	0	0	113.8	I443	I443-D445 HydrophobicContact CG2-CB 4.16Å; I443-D445 VanDerWaalsContact CG2-CG 3.42Å; I443-D445 VanDerWaalsContact CG2-OD2 3.25Å; I443-D445 WeakPolarHBondContact CG2-OD2 3.5Å
446	T	67.1	Low	76	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.08	34%	0.336	C	S	.	.	S	Bend	trans	-111.6	126.8	179.8	-49.6	0	0	0	0	109.7	V266 G444 I448	V266-T446 HydrophobicContact CG1-CG2 4.11Å; G444-T446 VanDerWaalsContact C-N 3.29Å; G444-T446 PolarHBondContact O-N 2.98Å; T446-I448 PolarHBondContact O-N 3.23Å
447	P	71.7	Confident	75.3	Confident	84 Å²	84	66.4 Å²	66.4	55%	0.545	35%	0.351	S	S	.	.			trans	-65.5	125.2	172.3	28.1	-33.2	0	0	0	109.7	T267	T267-P447 HydrophobicContact CG2-CG 3.96Å
448	I	72	Confident	74	Confident	18 Å²	18	70.7 Å²	70.7	9%	0.092	38%	0.378	C	S	.	.			trans	-115.2	120.2	174.4	-60.7	178.5	0	0	0	106.5	K441 T446 L452 M453 L456	K441-I448 HydrophobicContact CB-CD1 3.86Å; T446-I448 PolarHBondContact O-N 3.23Å; I448-L452 HydrophobicContact CG2-CB 3.91Å; I448-L452 HydrophobicContact CG2-CD2 3.86Å; I448-L452 HydrophobicContact CG2-CG 3.71Å; I448-M453 HydrophobicContact CB-CG 4.02Å; I448-M453 HydrophobicContact CG2-CG 3.59Å; I448-M453 WeakPolarHBondContact O-CE 3.48Å; I448-L456 HydrophobicContact CD1-CD1 4.37Å; I448-L456 HydrophobicContact CG2-CD1 4.34Å
449	D	73.9	Confident	72.4	Confident	66 Å²	66	70.5 Å²	70.5	35%	0.353	39%	0.386	S	S	.	.			trans	-64.2	158.6	-179.6	-69.5	-54.4	0	0	0	112.3	D274 F451 L452 M453	D274-D449 HydrophobicContact CB-CB 3.88Å; D274-D449 VanDerWaalsContact CG-CB 3.41Å; D274-D449 VanDerWaalsContact OD1-CB 3.29Å; D274-D449 WeakPolarHBondContact OD1-CB 3.46Å; D449-F451 VanDerWaalsContact C-N 3.33Å; D449-F451 PolarHBondContact O-N 2.72Å; D449-L452 PolarHBondContact O-N 2.84Å; D449-M453 PolarHBondContact O-N 2.9Å
450	T	73.9	Confident	70	Confident	117 Å²	117	72.3 Å²	72.3	72%	0.718	40%	0.4	S	S	*	.	H	α-helix	trans	-62.4	-35	-168.3	49.7	0	0	0	0	113.8	M453 E454	T450-M453 HydrophobicContact CG2-CE 4.42Å; T450-M453 PolarHBondContact O-N 3.3Å; T450-E454 PolarHBondContact O-N 2.73Å
451	F	72.9	Confident	67.7	Low	40 Å²	40	77 Å²	77	18%	0.175	42%	0.423	C	S	.	.	H	α-helix	trans	-76.5	-40.5	-179.3	-171	-144.9	0	0	0	111.1	D274 L277 F278 D449 M453 E454 M455	D274-F451 WeakPolarHBondContact OD1-CB 3.16Å; L277-F451 HydrophobicContact CB-CD1 3.56Å; L277-F451 HydrophobicContact CB-CE1 3.42Å; L277-F451 VanDerWaalsContact CB-CE1 3.42Å; L277-F451 HydrophobicContact CB-CZ 4.41Å; L277-F451 HydrophobicContact CD1-CD1 3.91Å; L277-F451 HydrophobicContact CD1-CE1 4.34Å; L277-F451 HydrophobicContact CD1-CG 4.29Å; L277-F451 HydrophobicContact CG-CD1 4.4Å; L277-F451 HydrophobicContact CG-CE1 4.47Å; F278-F451 HydrophobicContact CD1-CD1 4.38Å; F278-F451 HydrophobicContact CD1-CE1 4.19Å; F278-F451 HydrophobicContact CD2-CD1 4.1Å; F278-F451 HydrophobicContact CD2-CE1 4.44Å; F278-F451 AromaticContact CE1-CD1 3.99Å; F278-F451 HydrophobicContact CE1-CD1 3.99Å; F278-F451 HydrophobicContact CE1-CE1 4.13Å; F278-F451 HydrophobicContact CE2-CB 4.46Å; F278-F451 AromaticContact CE2-CD1 3.69Å; F278-F451 HydrophobicContact CE2-CD1 3.69Å; F278-F451 HydrophobicContact CE2-CE1 4.38Å; F278-F451 HydrophobicContact CE2-CG 4.47Å; F278-F451 HydrophobicContact CG-CD1 4.43Å; F278-F451 HydrophobicContact CG-CE1 4.34Å; F278-F451 HydrophobicContact CZ-CB 4.25Å; F278-F451 AromaticContact CZ-CD1 3.63Å; F278-F451 HydrophobicContact CZ-CD1 3.63Å; F278-F451 HydrophobicContact CZ-CE1 4.23Å; F278-F451 HydrophobicContact CZ-CG 4.16Å; D449-F451 VanDerWaalsContact C-N 3.33Å; D449-F451 PolarHBondContact O-N 2.72Å; F451-M453 VanDerWaalsContact C-N 3.3Å; F451-M453 PolarHBondContact O-N 3.27Å; F451-E454 HydrophobicContact CD2-CB 4.48Å; F451-E454 WeakPolarHBondContact O-CB 3.44Å; F451-E454 PolarHBondContact O-N 2.73Å; F451-E454 VanDerWaalsContact O-N 3.14Å; F451-M455 HydrophobicContact CE2-CG 4.49Å; F451-M455 HydrophobicContact CE2-SD 4.43Å; F451-M455 WeakPolarHBondContact O-CG 3.39Å; F451-M455 PolarHBondContact O-N 2.91Å
452	L	72.9	Confident	65.2	Low	1 Å²	1	81.8 Å²	81.8	1%	0.005	45%	0.45	C	S	.	.	H	α-helix	trans	-59.7	-37.8	168.5	-174.5	56.9	0	0	0	112.5	C270 A273 D274 L277 W306 I448 D449 M455 L456	C270-L452 HydrophobicContact CB-CD2 4.15Å; A273-L452 HydrophobicContact CB-CD2 4.48Å; D274-L452 HydrophobicContact CB-CB 4.4Å; D274-L452 PolarHBondContact OD1-N 2.8Å; D274-L452 VanDerWaalsContact OD1-N 3.08Å; L277-L452 HydrophobicContact CD1-CB 4.22Å; L277-L452 HydrophobicContact CD1-CD1 4.2Å; W306-L452 HydrophobicContact CH2-CD1 3.36Å; W306-L452 HydrophobicContact CZ2-CD1 4.03Å; W306-L452 HydrophobicContact CZ3-CD1 3.64Å; I448-L452 HydrophobicContact CG2-CB 3.91Å; I448-L452 HydrophobicContact CG2-CD2 3.86Å; I448-L452 HydrophobicContact CG2-CG 3.71Å; D449-L452 PolarHBondContact O-N 2.84Å; L452-M455 PolarHBondContact O-N 3.44Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.13Å; L452-L456 VanDerWaalsContact O-N 3.13Å
453	M	73.3	Confident	63	Low	65 Å²	65	83.9 Å²	83.9	32%	0.32	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-43	171.2	-76.7	-157.8	-84.7	0	0	112.7	I448 D449 T450 F451 M455 L456 E457	I448-M453 HydrophobicContact CB-CG 4.02Å; I448-M453 HydrophobicContact CG2-CG 3.59Å; I448-M453 WeakPolarHBondContact O-CE 3.48Å; D449-M453 PolarHBondContact O-N 2.9Å; T450-M453 HydrophobicContact CG2-CE 4.42Å; T450-M453 PolarHBondContact O-N 3.3Å; F451-M453 VanDerWaalsContact C-N 3.3Å; F451-M453 PolarHBondContact O-N 3.27Å; M453-M455 VanDerWaalsContact C-N 3.27Å; M453-M455 PolarHBondContact O-N 3.29Å; M453-L456 PolarHBondContact O-N 3.15Å; M453-E457 WeakPolarHBondContact O-CG 3.38Å; M453-E457 PolarHBondContact O-N 3.21Å
454	E	76.8	Confident	62.1	Low	95 Å²	95	83.9 Å²	83.9	44%	0.444	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-37.3	178.2	-153	-149.5	123.9	0	0	111.8	R303 T450 F451 E457	R303-E454 VanDerWaalsContact CZ-O 3.28Å; R303-E454 IonicContact CZ-OE1 2.68Å; R303-E454 PolarHBondContact NH1-O 3.03Å; R303-E454 PolarHBondContact NH2-O 3.26Å; R303-E454 IonicContact NH2-OE1 3.11Å; R303-E454 PolarHBondContact NH2-OE1 3.08Å; T450-E454 PolarHBondContact O-N 2.73Å; F451-E454 HydrophobicContact CD2-CB 4.48Å; F451-E454 WeakPolarHBondContact O-CB 3.44Å; F451-E454 PolarHBondContact O-N 2.73Å; F451-E454 VanDerWaalsContact O-N 3.14Å; E454-E457 PolarHBondContact O-N 3.5Å
455	M	75.8	Confident	61.7	Low	24 Å²	24	85.4 Å²	85.4	12%	0.118	47%	0.466	C	S	.	.	H	α-helix	trans	-75.1	-26.5	177.7	-64.5	-63.6	-76.3	0	0	113.4	L277 R303 W306 F451 L452 M453	L277-M455 HydrophobicContact CD1-CG 3.99Å; L277-M455 HydrophobicContact CD2-CE 4.44Å; L277-M455 HydrophobicContact CD2-CG 4.38Å; R303-M455 HydrophobicContact CB-CE 4.47Å; R303-M455 HydrophobicContact CG-CE 4.01Å; R303-M455 HydrophobicContact CG-SD 3.81Å; W306-M455 HydrophobicContact CB-CE 3.6Å; W306-M455 VanDerWaalsContact CD1-CE 3.47Å; W306-M455 HydrophobicContact CD2-CE 4.5Å; W306-M455 HydrophobicContact CG-CE 3.56Å; F451-M455 HydrophobicContact CE2-CG 4.49Å; F451-M455 HydrophobicContact CE2-SD 4.43Å; F451-M455 WeakPolarHBondContact O-CG 3.39Å; F451-M455 PolarHBondContact O-N 2.91Å; L452-M455 PolarHBondContact O-N 3.44Å; M453-M455 VanDerWaalsContact C-N 3.27Å; M453-M455 PolarHBondContact O-N 3.29Å
456	L	72.7	Confident	61.3	Low	6 Å²	6	82.6 Å²	82.6	3%	0.031	45%	0.452	C	S	.	.	H	α-helix	trans	-80.2	-21.2	171.4	-69.9	170	0	0	0	112.6	W306 L434 L437 F438 K441 I448 L452 M453 T458	W306-L456 HydrophobicContact CZ2-CD2 4.15Å; L434-L456 HydrophobicContact CD2-CD2 3.9Å; L437-L456 HydrophobicContact CB-CD1 4.25Å; L437-L456 HydrophobicContact CB-CD2 4.01Å; L437-L456 HydrophobicContact CD1-CD2 4.35Å; F438-L456 HydrophobicContact CE1-CB 4.33Å; F438-L456 HydrophobicContact CE1-CD2 4.38Å; F438-L456 WeakPolarHBondContact CE1-O 3.35Å; F438-L456 HydrophobicContact CZ-CD2 4.38Å; K441-L456 HydrophobicContact CD-CD1 4.41Å; I448-L456 HydrophobicContact CD1-CD1 4.37Å; I448-L456 HydrophobicContact CG2-CD1 4.34Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.13Å; L452-L456 VanDerWaalsContact O-N 3.13Å; M453-L456 PolarHBondContact O-N 3.15Å; L456-T458 PolarHBondContact O-N 2.95Å
457	E	71.9	Confident	60.9	Low	106 Å²	106	86.7 Å²	86.7	50%	0.495	47%	0.473	S	S	.	.	S	Bend	trans	-80.3	111	175.8	-76.2	173.2	-165.1	0	0	110.5	R303 K441 M453 E454 P459	R303-E457 PolarHBondContact NH1-O 3.4Å; K441-E457 IonicContact NZ-OE1 2.68Å; K441-E457 PolarHBondContact NZ-OE1 3.37Å; M453-E457 WeakPolarHBondContact O-CG 3.38Å; M453-E457 PolarHBondContact O-N 3.21Å; E454-E457 PolarHBondContact O-N 3.5Å; E457-P459 WeakPolarHBondContact O-CD 3.41Å
458	T	59.2	Low	60.2	Low	116 Å²	116	86.9 Å²	86.9	71%	0.712	47%	0.469	S	S	*	.			trans	-62.2	124.4	168.1	-43.8	0	0	0	0	107.3	L456 L460	L456-T458 PolarHBondContact O-N 2.95Å; T458-L460 PolarHBondContact O-N 2.74Å
459	P	48.7	Very low	59.5	Low	82 Å²	82	91.5 Å²	91.5	53%	0.532	49%	0.494	S	S	.	.			trans	-57.1	115.3	168.6	-22	33.5	0	0	0	108	E457 Q461	E457-P459 WeakPolarHBondContact O-CD 3.41Å; P459-Q461 PolarHBondContact O-N 2.9Å
460	L	32.7	Very low	58.4	Low	160 Å²	160	93.3 Å²	93.3	84%	0.838	50%	0.504	S	S	*	.			trans	-65.9	91.5	168.4	-80.5	163.8	0	0	0	106.9	T458 I462	T458-L460 PolarHBondContact O-N 2.74Å; L460-I462 VanDerWaalsContact C-N 3.27Å; L460-I462 PolarHBondContact O-N 2.78Å
461	Q	32.4	Very low	57.2	Low	135 Å²	135	91.5 Å²	91.5	63%	0.631	49%	0.488	S	S	*	.			trans	-64.7	95.7	164.3	-77.4	-173.7	-17.7	0	0	107.3	P459 T463	P459-Q461 PolarHBondContact O-N 2.9Å; Q461-T463 VanDerWaalsContact C-N 3.33Å; Q461-T463 PolarHBondContact O-N 2.84Å; Q461-T463 VanDerWaalsContact O-N 3.07Å
462	I	25.3	Very low	55.9	Low	165 Å²	165	95.8 Å²	95.8	85%	0.846	51%	0.514	S	S	*	.			trans	-72.9	91	169.8	-59.3	169.8	0	0	0	106.9	L460	L460-I462 VanDerWaalsContact C-N 3.27Å; L460-I462 PolarHBondContact O-N 2.78Å
463	T	29.4	Very low	54.4	Low	194 Å²	194	104.4 Å²	104.4	100%	1.19	56%	0.56	S	S	*	*			trans	-146.2	0	169.4	50.7	0	0	0	0	110.5	Q461	Q461-T463 VanDerWaalsContact C-N 3.33Å; Q461-T463 PolarHBondContact O-N 2.84Å; Q461-T463 VanDerWaalsContact O-N 3.07Å

Retrieved 463 of 463 residues in 124 ms (Link to these results)

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