A0A087XWJ5_POEFO Loading...

Polycystin 2 like 1, transient receptor potential cation channel

AlphaFold DB , UniProt , Accession A0A087XWJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 753 aa.

Structure Viewer

Loading PAE data...

(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	32.2	Very low	28.8	Very low	251 Å²	251	162.5 Å²	162.5	100%	1.236	82%	0.815	S	S	*	*				0	176	0	-75.9	179.5	175.2	0	0	109.2
2	R	28.2	Very low	28.6	Very low	240 Å²	240	163.5 Å²	163.5	91%	0.906	82%	0.824	S	S	*	*			trans	-78.4	143.7	-175.9	-75.1	178.1	170.5	159.8	-4.9	112.9
3	S	29.8	Very low	28.6	Very low	96 Å²	96	160.8 Å²	160.8	67%	0.671	82%	0.821	S	S	*	*			trans	5	142.9	149.4	59.8	0	0	0	0	120.9
4	L	32.5	Very low	28.4	Very low	147 Å²	147	155.1 Å²	155.1	77%	0.77	82%	0.822	S	S	*	*				-175.8	148.1	101	-99	164.6	0	0	0	116.2
5	N	27.8	Very low	28.1	Very low	137 Å²	137	159.4 Å²	159.4	73%	0.733	82%	0.822	S	S	*	*			trans	90	150.6	148.7	-81.7	-13.4	0	0	0	123.9
6	N	29.6	Very low	28	Very low	154 Å²	154	155.5 Å²	155.5	82%	0.824	82%	0.821	S	S	*	*			trans	-121.6	158.9	-161.5	-41.3	-50.2	0	0	0	112.6
7	R	25.7	Very low	28	Very low	239 Å²	239	155.3 Å²	155.3	90%	0.902	81%	0.814	S	S	*	*				176.4	123.6	129.2	-133.4	156.8	176.3	145.9	1	107.7
8	A	27	Very low	28	Very low	78 Å²	78	152.5 Å²	152.5	65%	0.645	81%	0.81	S	S	*	*				52	128.6	71.8	0	0	0	0	0	112.4
9	E	29.6	Very low	27.9	Very low	185 Å²	185	154.5 Å²	154.5	86%	0.864	81%	0.814	S	S	*	*			cis	-142.8	-171.9	18.5	-109	143	-138.5	0	0	109.7
10	S	27	Very low	27.9	Very low	91 Å²	91	155.8 Å²	155.8	64%	0.636	82%	0.821	S	S	*	*			cis	-169.7	165.6	38.3	71.6	0	0	0	0	115.4
11	H	27.3	Very low	27.9	Very low	169 Å²	169	155.9 Å²	155.9	78%	0.782	82%	0.822	S	S	*	*			trans	54.1	111.7	154.7	-58.7	-52.9	0	0	0	122.9
12	L	26.5	Very low	27.8	Very low	175 Å²	175	148.2 Å²	148.2	92%	0.916	80%	0.798	S	S	*	*			trans	-130.7	133.1	141.2	-109.6	169.4	0	0	0	108.9
13	T	28.8	Very low	27.8	Very low	129 Å²	129	145.6 Å²	145.6	79%	0.791	80%	0.799	S	S	*	*			trans	-144.3	148.6	175.4	47.7	0	0	0	0	108.6
14	G	25	Very low	27.8	Very low	80 Å²	80	145 Å²	145	83%	0.825	80%	0.8	S	S	*	*			cis	-153.2	-166.4	0.4	0	0	0	0	0	111.8
15	R	25.1	Very low	27.7	Very low	220 Å²	220	146.4 Å²	146.4	83%	0.83	81%	0.808	S	S	*	*			trans	-110.7	146.6	-173.5	-170.6	-172.3	-165.9	-163.3	11.7	110.6	E17	R15-E17 IonicContact CZ-OE1 3.85Å; R15-E17 IonicContact NH1-OE1 2.66Å; R15-E17 PolarHBondContact NH1-OE1 3.39Å
16	A	25.4	Very low	27.8	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	81%	0.809	S	S	*	*			trans	-126.3	143.2	165	0	0	0	0	0	110.6
17	E	29.2	Very low	27.6	Very low	152 Å²	152	139.3 Å²	139.3	71%	0.71	80%	0.803	S	S	*	*			trans	-112.5	175.3	178.6	-78.9	161.7	-176.3	0	0	107.1	R15	R15-E17 IonicContact CZ-OE1 3.85Å; R15-E17 IonicContact NH1-OE1 2.66Å; R15-E17 PolarHBondContact NH1-OE1 3.39Å
18	S	26.9	Very low	27.7	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	81%	0.807	S	S	*	*			cis	-179	141	-23.9	172.7	0	0	0	0	105.7
19	E	26.8	Very low	27.8	Very low	191 Å²	191	142.5 Å²	142.5	89%	0.893	81%	0.813	S	S	*	*			trans	-145.5	113.5	162.7	-78.7	-159.8	158.5	0	0	111.7
20	L	27.6	Very low	27.8	Very low	180 Å²	180	139.5 Å²	139.5	94%	0.942	80%	0.803	S	S	*	*			trans	-178.1	99.7	147.5	-108.2	168.9	0	0	0	108.1
21	D	28.4	Very low	28	Very low	157 Å²	157	143 Å²	143	84%	0.84	81%	0.808	S	S	*	*			trans	-145.6	123.8	175.3	-167.3	3.7	0	0	0	110.6
22	A	29.8	Very low	28	Very low	91 Å²	91	138 Å²	138	75%	0.752	80%	0.803	S	S	*	*			trans	-169.1	79.9	177.4	0	0	0	0	0	111.9
23	M	28.8	Very low	28	Very low	184 Å²	184	140 Å²	140	91%	0.906	80%	0.8	S	S	*	*			trans	49.4	138.7	142.9	-68.3	-173.9	172.9	0	0	121.3
24	A	28.9	Very low	27.9	Very low	84 Å²	84	139.1 Å²	139.1	69%	0.694	80%	0.797	S	S	*	*			cis	-166.3	160.7	-6.7	0	0	0	0	0	112.1
25	D	29.8	Very low	27.9	Very low	176 Å²	176	139 Å²	139	94%	0.941	80%	0.797	S	S	*	*			trans	58.1	137.9	151.4	-102.5	-42	0	0	0	123.1
26	G	30.3	Very low	28	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	80%	0.798	S	S	*	*			trans	149.1	81.9	174.5	0	0	0	0	0	114.5
27	G	25.1	Very low	28.2	Very low	69 Å²	69	136 Å²	136	71%	0.711	80%	0.801	S	S	*	*			trans	-58.4	161.7	171.6	0	0	0	0	0	113.2
28	W	28.5	Very low	28	Very low	258 Å²	258	133.2 Å²	133.2	98%	0.977	80%	0.803	S	S	*	*				-144.3	163.4	60.8	-85.3	79.7	0	0	0	115.4
29	V	28.9	Very low	28.8	Very low	127 Å²	127	133.8 Å²	133.8	77%	0.77	80%	0.804	S	S	*	*			trans	-78.4	128.8	-178.4	178.3	0	0	0	0	110.4
30	N	29.3	Very low	28.6	Very low	122 Å²	122	132.6 Å²	132.6	65%	0.652	80%	0.803	S	S	*	*				63.5	146.9	79.6	-111.9	16.7	0	0	0	114.8
31	H	32.4	Very low	28.3	Very low	163 Å²	163	130.3 Å²	130.3	76%	0.755	80%	0.797	S	S	*	*			cis	-166.9	153.5	-2.9	-148.4	26.1	0	0	0	112.3
32	G	27.3	Very low	28	Very low	64 Å²	64	127.5 Å²	127.5	66%	0.66	79%	0.789	S	S	*	*			trans	68.1	178.5	150.2	0	0	0	0	0	120.6
33	Y	26.1	Very low	27.7	Very low	218 Å²	218	128.6 Å²	128.6	86%	0.855	79%	0.787	S	S	*	*			cis	-158.2	177.1	-20.9	-146.1	-106.9	0	0	0	111.6
34	C	25.9	Very low	27.4	Very low	110 Å²	110	127 Å²	127	74%	0.743	78%	0.78	S	S	*	*			trans	-48.6	159.4	-168.6	-58.7	0	0	0	0	120.7
35	G	24.4	Very low	27.1	Very low	79 Å²	79	133.8 Å²	133.8	81%	0.814	79%	0.79	S	S	*	*			trans	170.5	114	153.4	0	0	0	0	0	116
36	S	29	Very low	26.8	Very low	122 Å²	122	130.3 Å²	130.3	85%	0.853	78%	0.779	S	S	*	*			trans	-87.5	158.1	168.6	-47.6	0	0	0	0	111.1
37	P	28.7	Very low	26.7	Very low	132 Å²	132	132.7 Å²	132.7	86%	0.857	78%	0.781	S	S	*	*				-153.8	-171.1	89.8	42	-23.5	0	0	0	115.5
38	A	25.9	Very low	26.6	Very low	93 Å²	93	138.1 Å²	138.1	77%	0.769	79%	0.788	S	S	*	*			trans	-140.3	178.2	160.8	0	0	0	0	0	107.8
39	P	42.8	Very low	26.9	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	78%	0.776	S	S	*	*			cis	-127.4	179.7	-9.5	42.2	-28.5	0	0	0	113.2
40	L	23.1	Very low	26.7	Very low	166 Å²	166	130 Å²	130	87%	0.869	78%	0.779	S	S	*	*			trans	-164.7	172.1	140.2	-136.1	78.6	0	0	0	113.2
41	V	21.5	Very low	26.5	Very low	133 Å²	133	129.1 Å²	129.1	81%	0.806	78%	0.783	S	S	*	*			trans	-133.4	136.6	-178.9	170.6	0	0	0	0	109.2
42	S	22.1	Very low	26	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	78%	0.782	S	S	*	*			trans	171.7	142.3	137.2	55.7	0	0	0	0	116.2
43	T	22.5	Very low	25.9	Very low	115 Å²	115	132.6 Å²	132.6	71%	0.706	79%	0.786	S	S	*	*			trans	53.5	109.6	143	54.6	0	0	0	0	122.9
44	I	23.9	Very low	25.7	Very low	150 Å²	150	133 Å²	133	77%	0.769	79%	0.786	S	S	*	*				37.6	120.3	108.4	-55.1	164.5	0	0	0	117.8
45	Y	22.2	Very low	25.5	Very low	227 Å²	227	131 Å²	131	89%	0.89	78%	0.784	S	S	*	*			trans	-158.2	145.1	133.9	-128.1	-85.6	0	0	0	112.4
46	S	23.8	Very low	25.3	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	78%	0.783	S	S	*	*			trans	-133.1	149.1	169.8	-58.1	0	0	0	0	108.3
47	P	27.6	Very low	25	Very low	124 Å²	124	136 Å²	136	81%	0.805	78%	0.781	S	S	*	*				-151.6	178.9	102	38	-19.5	0	0	0	116.4
48	Q	22.3	Very low	24.7	Very low	182 Å²	182	136.4 Å²	136.4	85%	0.85	78%	0.776	S	S	*	*			trans	-84.3	-160.8	169.8	-60.1	-177.9	-39	0	0	110.1
49	P	35.3	Very low	24.5	Very low	113 Å²	113	138 Å²	138	73%	0.734	77%	0.771	S	S	*	*			cis	-150.3	172.3	5.1	44.8	-24.1	0	0	0	121.1
50	A	24.2	Very low	23.4	Very low	101 Å²	101	143.2 Å²	143.2	84%	0.835	78%	0.776	S	S	*	*			trans	61.8	166.3	145.6	0	0	0	0	0	119.6
51	S	24.6	Very low	23.4	Very low	104 Å²	104	143 Å²	143	73%	0.727	77%	0.774	S	S	*	*			cis	-138.3	-175	-0.2	53.9	0	0	0	0	108.4
52	L	23.1	Very low	23.4	Very low	142 Å²	142	145 Å²	145	74%	0.743	78%	0.775	S	S	*	*			cis	-174.3	153.2	33.7	-164.2	67.2	0	0	0	105.5
53	H	24.6	Very low	23.4	Very low	158 Å²	158	149.5 Å²	149.5	73%	0.731	79%	0.785	S	S	*	*			cis	-143.1	-151.1	2.6	-137.8	-12.6	0	0	0	107.4
54	R	22	Very low	23.3	Very low	227 Å²	227	152.7 Å²	152.7	86%	0.857	79%	0.792	S	S	*	*			cis	-150.2	-173.5	-0.3	-141.4	175.1	-168.8	-177.8	3	108.3
55	G	21.4	Very low	23.9	Very low	68 Å²	68	151.6 Å²	151.6	70%	0.701	79%	0.794	S	S	*	*			trans	-110.2	-173.2	176.5	0	0	0	0	0	115.1
56	C	20.9	Very low	23.8	Very low	118 Å²	118	144.4 Å²	144.4	80%	0.797	79%	0.789	S	S	*	*			cis	-168.8	164.4	11.1	-155.4	0	0	0	0	113.5
57	K	21.8	Very low	23.7	Very low	188 Å²	188	145.1 Å²	145.1	82%	0.817	79%	0.794	S	S	*	*			trans	69.6	155.3	164	-70.9	-173.3	179.2	-175.2	0	118.9
58	L	22.7	Very low	23.4	Very low	141 Å²	141	145 Å²	145	74%	0.738	80%	0.797	S	S	*	*			cis	-167.4	153	-25.4	-169.1	72.9	0	0	0	110
59	D	22.1	Very low	23.4	Very low	127 Å²	127	143.9 Å²	143.9	68%	0.679	80%	0.796	S	S	*	*			trans	53.3	111.6	158.1	-76.5	-34.3	0	0	0	124.4
60	R	20.5	Very low	23	Very low	225 Å²	225	147.5 Å²	147.5	85%	0.849	80%	0.803	S	S	*	*				60.1	140.7	110.5	-125.6	-178.1	-170.2	-174.5	3.1	123.1
61	I	22.3	Very low	22.9	Very low	162 Å²	162	147.2 Å²	147.2	83%	0.831	80%	0.795	S	S	*	*			trans	107.7	134.5	154.7	-61.2	167.8	0	0	0	117.6
62	Q	22.5	Very low	23	Very low	174 Å²	174	148.3 Å²	148.3	81%	0.813	80%	0.8	S	S	*	*			trans	-97.7	145.2	-168.6	146.8	-165	1.5	0	0	110.9
63	E	20.5	Very low	23.1	Very low	191 Å²	191	148.1 Å²	148.1	89%	0.893	81%	0.805	S	S	*	*			trans	-174.6	158.7	143.4	-108.5	166	-168	0	0	114
64	E	21.7	Very low	23.2	Very low	182 Å²	182	150 Å²	150	85%	0.85	81%	0.81	S	S	*	*			trans	-103.2	-168.5	166.9	-64.6	-164.6	142.4	0	0	109.1
65	P	34.9	Very low	23.4	Very low	127 Å²	127	150.7 Å²	150.7	83%	0.825	81%	0.813	S	S	*	*			cis	-129.8	-174.4	-11.9	35.6	-15.4	0	0	0	113.9
66	G	20.3	Very low	23.7	Very low	76 Å²	76	154.9 Å²	154.9	78%	0.784	82%	0.819	S	S	*	*			trans	164.7	96.5	165.3	0	0	0	0	0	118.8
67	S	21.8	Very low	24.4	Very low	117 Å²	117	160.9 Å²	160.9	82%	0.818	83%	0.826	S	S	*	*			trans	-41.4	148.8	172.9	53.7	0	0	0	0	120.5
68	S	21.8	Very low	24.7	Very low	123 Å²	123	154 Å²	154	86%	0.86	81%	0.808	S	S	*	*				-167.9	155.4	129.8	30.4	0	0	0	0	113
69	D	22.8	Very low	25.1	Very low	157 Å²	157	152 Å²	152	84%	0.84	81%	0.805	S	S	*	*			trans	-80.3	152.1	-168	-71.3	-78.1	0	0	0	116.9
70	Q	26.1	Very low	25.6	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.883	80%	0.802	S	S	*	*			trans	-155.7	141.4	135	-120.9	160.8	86.5	0	0	115.9
71	S	22.6	Very low	26.4	Very low	95 Å²	95	143.2 Å²	143.2	66%	0.664	79%	0.787	S	S	*	*			trans	-25.5	152.1	-179.6	52.2	0	0	0	0	122.2
72	P	26.2	Very low	27.1	Very low	128 Å²	128	143 Å²	143	83%	0.831	78%	0.78	S	S	*	*			trans	-82.4	119.3	179.5	32.8	-34.6	0	0	0	113.7	K74	P72-K74 PolarHBondContact O-N 3.03Å
73	V	25	Very low	28	Very low	138 Å²	138	139.1 Å²	139.1	84%	0.836	76%	0.764	S	S	*	*			trans	-75.7	118.6	172.5	178.2	0	0	0	0	111	R75	V73-R75 PolarHBondContact O-N 3.4Å; V73-R75 VanDerWaalsContact O-N 3.12Å
74	K	26.7	Very low	29.2	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	76%	0.756	S	S	*	*			trans	-61.1	110.1	171.9	-76.2	179.2	176.4	174.8	0	110.8	P72 N76	P72-K74 PolarHBondContact O-N 3.03Å; K74-N76 PolarHBondContact O-N 3.33Å
75	R	26.9	Very low	30.4	Very low	242 Å²	242	132.1 Å²	132.1	91%	0.913	74%	0.739	S	S	*	*			trans	-83.8	111.3	171.1	-153.8	172.8	-168.2	171.3	4	109.6	V73 R77	V73-R75 PolarHBondContact O-N 3.4Å; V73-R75 VanDerWaalsContact O-N 3.12Å; R75-R77 PolarHBondContact O-N 3.32Å
76	N	26.6	Very low	31	Very low	156 Å²	156	132.9 Å²	132.9	83%	0.834	73%	0.729	S	S	*	*			trans	-54.7	122.7	-175.6	-86.2	-13.7	0	0	0	112.8	K74 G78	K74-N76 PolarHBondContact O-N 3.33Å; N76-G78 VanDerWaalsContact C-N 3.29Å; N76-G78 PolarHBondContact O-N 3.33Å
77	R	36.8	Very low	32.6	Very low	245 Å²	245	132.9 Å²	132.9	93%	0.925	71%	0.706	S	S	*	*			trans	-76.1	82	162.8	-75.1	-174.8	174.9	178	-1	109.1	R75	R75-R77 PolarHBondContact O-N 3.32Å
78	G	27.2	Very low	34.1	Very low	44 Å²	44	127.6 Å²	127.6	45%	0.454	67%	0.67	S	S	.	*			trans	-68.9	164.2	175	0	0	0	0	0	113.4	N76 C80 S81	N76-G78 VanDerWaalsContact C-N 3.29Å; N76-G78 PolarHBondContact O-N 3.33Å; G78-C80 PolarHBondContact O-N 3.44Å; G78-S81 PolarHBondContact O-N 3.49Å
79	C	31.6	Very low	35.9	Very low	98 Å²	98	122 Å²	122	66%	0.662	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.9	-25.1	-173.3	-169	0	0	0	0	115.6	S81 F82	C79-S81 PolarHBondContact O-N 3.08Å; C79-F82 PolarHBondContact O-N 3.2Å
80	C	32.8	Very low	37.3	Very low	93 Å²	93	114.9 Å²	114.9	63%	0.628	59%	0.594	S	S	*	*	H	α-helix	trans	-55.5	-19.9	-177.7	-52.8	0	0	0	0	115.5	G78 K84	G78-C80 PolarHBondContact O-N 3.44Å; C80-K84 PolarHBondContact O-N 2.7Å
81	S	37.4	Very low	38.4	Very low	75 Å²	75	113.9 Å²	113.9	52%	0.524	58%	0.582	S	S	.	*	H	α-helix	trans	-73.9	-30.5	173.3	69.2	0	0	0	0	113.5	G78 C79 A85	G78-S81 PolarHBondContact O-N 3.49Å; C79-S81 PolarHBondContact O-N 3.08Å; S81-A85 PolarHBondContact O-N 3.26Å; S81-A85 VanDerWaalsContact O-N 3.12Å
82	F	36	Very low	39.7	Very low	157 Å²	157	111.7 Å²	111.7	69%	0.689	56%	0.564	S	S	*	*	H	α-helix	trans	-69.3	-41.3	172.9	-104.6	-89.1	0	0	0	110.8	C79 A85 F86	C79-F82 PolarHBondContact O-N 3.2Å; F82-A85 PolarHBondContact O-N 3.26Å; F82-A85 VanDerWaalsContact O-N 3.13Å; F82-F86 PolarHBondContact O-N 3.13Å; F82-F86 VanDerWaalsContact O-N 3.12Å
83	I	42.1	Very low	41	Very low	93 Å²	93	108.4 Å²	108.4	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-59.1	-49.1	173.7	-58.6	176.1	0	0	0	109.7	A85 F86 W87	I83-A85 VanDerWaalsContact C-N 3.26Å; I83-A85 PolarHBondContact O-N 3.37Å; I83-F86 PolarHBondContact O-N 2.98Å; I83-W87 HydrophobicContact CG2-CG 4.46Å; I83-W87 WeakPolarHBondContact O-CB 3.38Å; I83-W87 PolarHBondContact O-N 3.09Å
84	K	45.9	Very low	41.9	Very low	165 Å²	165	109.7 Å²	109.7	72%	0.717	54%	0.54	S	S	*	.	H	α-helix	trans	-61.7	-27.3	175.5	-84.2	-160.1	167.5	-162	0	115	C80 G88	C80-K84 PolarHBondContact O-N 2.7Å; K84-G88 PolarHBondContact O-N 3.37Å
85	A	47	Very low	43	Very low	60 Å²	60	101.5 Å²	101.5	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-75.7	-34.3	177.5	0	0	0	0	0	113.1	S81 F82 I83 R108	S81-A85 PolarHBondContact O-N 3.26Å; S81-A85 VanDerWaalsContact O-N 3.12Å; F82-A85 PolarHBondContact O-N 3.26Å; F82-A85 VanDerWaalsContact O-N 3.13Å; I83-A85 VanDerWaalsContact C-N 3.26Å; I83-A85 PolarHBondContact O-N 3.37Å; A85-R108 PolarHBondContact O-NH1 3.32Å
86	F	48	Very low	44.1	Very low	143 Å²	143	94.9 Å²	94.9	63%	0.627	50%	0.497	S	S	*	.	H	α-helix	trans	-82.1	-35.5	179.4	-119.8	-87.5	0	0	0	113.3	F82 I83	F82-F86 PolarHBondContact O-N 3.13Å; F82-F86 VanDerWaalsContact O-N 3.12Å; I83-F86 PolarHBondContact O-N 2.98Å
87	W	52.8	Low	45.4	Very low	76 Å²	76	94.1 Å²	94.1	29%	0.288	49%	0.493	S	S	.	.	S	Bend	trans	-103.1	11.1	-172.6	-63.2	92.9	0	0	0	114.4	I83 T89 Y371 V374 L378	I83-W87 HydrophobicContact CG2-CG 4.46Å; I83-W87 WeakPolarHBondContact O-CB 3.38Å; I83-W87 PolarHBondContact O-N 3.09Å; W87-T89 PolarHBondContact O-N 3.21Å; W87-Y371 HydrophobicContact CE3-CD2 4.33Å; W87-Y371 HydrophobicContact CE3-CE2 4.1Å; W87-Y371 AromaticContact CH2-CD2 3.67Å; W87-Y371 HydrophobicContact CH2-CD2 3.67Å; W87-Y371 HydrophobicContact CH2-CE2 4.23Å; W87-Y371 HydrophobicContact CZ2-CD2 4.35Å; W87-Y371 AromaticContact CZ3-CD2 3.64Å; W87-Y371 HydrophobicContact CZ3-CD2 3.64Å; W87-Y371 AromaticContact CZ3-CE2 3.87Å; W87-Y371 HydrophobicContact CZ3-CE2 3.87Å; W87-Y371 HydrophobicContact CZ3-CG 4.43Å; W87-Y371 WeakPolarHBondContact CZ3-O 3.38Å; W87-V374 HydrophobicContact CE3-CG1 4.01Å; W87-V374 HydrophobicContact CH2-CB 3.59Å; W87-V374 HydrophobicContact CH2-CG1 3.54Å; W87-V374 HydrophobicContact CH2-CG2 4.37Å; W87-V374 HydrophobicContact CZ2-CG1 4.14Å; W87-V374 HydrophobicContact CZ3-CB 3.58Å; W87-V374 HydrophobicContact CZ3-CG1 3.47Å; W87-V374 VanDerWaalsContact CZ3-CG1 3.47Å; W87-L378 HydrophobicContact CE3-CD1 4.33Å
88	G	53.5	Low	46.8	Very low	6 Å²	6	87.3 Å²	87.3	6%	0.062	48%	0.475	C	S	.	.			trans	-85.6	96.8	177.8	0	0	0	0	0	112.5	K84 R108	K84-G88 PolarHBondContact O-N 3.37Å; G88-R108 PolarHBondContact O-NH2 3.38Å
89	T	58.9	Low	48.6	Very low	7 Å²	7	90.3 Å²	90.3	4%	0.043	47%	0.473	C	S	.	.			trans	-73.3	165.8	169.2	66.9	0	0	0	0	111.6	W87 W91 T92 E93 E109 E375 E379	W87-T89 PolarHBondContact O-N 3.21Å; T89-W91 PolarHBondContact O-N 2.84Å; T89-W91 PolarHBondContact OG1-N 3.22Å; T89-T92 PolarHBondContact N-OG1 3.23Å; T89-T92 PolarHBondContact O-N 2.86Å; T89-T92 PolarHBondContact O-OG1 3.32Å; T89-T92 WeakPolarHBondContact OG1-CB 3.47Å; T89-T92 WeakPolarHBondContact OG1-CG2 3.42Å; T89-T92 PolarHBondContact OG1-N 3.15Å; T89-T92 VanDerWaalsContact OG1-N 3.07Å; T89-T92 PolarHBondContact OG1-OG1 3.36Å; T89-E93 PolarHBondContact O-N 3.03Å; T89-E109 VanDerWaalsContact CA-OE1 3.26Å; T89-E109 WeakPolarHBondContact CA-OE1 3.38Å; T89-E375 HydrophobicContact CG2-CG 3.82Å; T89-E375 VanDerWaalsContact CG2-OE1 3.23Å; T89-E375 WeakPolarHBondContact CG2-OE1 3.24Å; T89-E379 WeakPolarHBondContact CB-OE1 3.5Å; T89-E379 PolarHBondContact OG1-OE1 3.27Å
90	A	52.9	Low	50.5	Low	7 Å²	7	92.6 Å²	92.6	6%	0.058	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.2	175	0	0	0	0	0	113.7	T95 F102 T105 T106 E109	A90-T95 PolarHBondContact O-OG1 2.84Å; A90-F102 HydrophobicContact CB-CD2 4.29Å; A90-F102 HydrophobicContact CB-CE2 4.02Å; A90-T105 HydrophobicContact CB-CG2 4.16Å; A90-T106 HydrophobicContact CB-CG2 4.12Å; A90-E109 PolarHBondContact N-OE1 3.2Å
91	W	49.5	Very low	52.3	Low	167 Å²	167	92.1 Å²	92.1	63%	0.633	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-30.8	177.9	-76.4	77.1	0	0	0	113.6	T89	T89-W91 PolarHBondContact O-N 2.84Å; T89-W91 PolarHBondContact OG1-N 3.22Å
92	T	49.9	Very low	53.9	Low	49 Å²	49	92.4 Å²	92.4	30%	0.301	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.8	-179.5	53.2	0	0	0	0	114.3	T89 E379 I382	T89-T92 PolarHBondContact N-OG1 3.23Å; T89-T92 PolarHBondContact O-N 2.86Å; T89-T92 PolarHBondContact O-OG1 3.32Å; T89-T92 WeakPolarHBondContact OG1-CB 3.47Å; T89-T92 WeakPolarHBondContact OG1-CG2 3.42Å; T89-T92 PolarHBondContact OG1-N 3.15Å; T89-T92 VanDerWaalsContact OG1-N 3.07Å; T89-T92 PolarHBondContact OG1-OG1 3.36Å; T92-E379 HydrophobicContact CG2-CG 4.03Å; T92-I382 HydrophobicContact CG2-CD1 3.82Å
93	E	52.3	Low	55.8	Low	60 Å²	60	86.5 Å²	86.5	28%	0.28	43%	0.428	S	S	.	.	S	Bend	trans	-107.1	133	168.8	-65.4	-156.8	104.9	0	0	112.5	T89 T95 K101	T89-E93 PolarHBondContact O-N 3.03Å; E93-T95 VanDerWaalsContact C-N 3.32Å; E93-T95 HydrophobicContact CB-CG2 4.45Å; E93-T95 PolarHBondContact O-N 2.98Å; E93-T95 PolarHBondContact O-OG1 3.17Å; E93-K101 IonicContact OE1-NZ 2.6Å; E93-K101 PolarHBondContact OE1-NZ 3.34Å; E93-K101 WeakPolarHBondContact OE2-CE 3.31Å; E93-K101 IonicContact OE2-NZ 2.82Å; E93-K101 PolarHBondContact OE2-NZ 2.94Å
94	N	43.9	Very low	57.4	Low	164 Å²	164	91.4 Å²	91.4	88%	0.877	44%	0.441	S	S	*	.			trans	-63.2	89.5	170.9	-84.2	-13.3	0	0	0	110.9
95	T	51.6	Low	58.9	Low	24 Å²	24	84 Å²	84	15%	0.147	41%	0.41	C	S	.	.			trans	-89	-8.2	-176	39.2	0	0	0	0	113.8	A90 E93 N97 N98 F102	A90-T95 PolarHBondContact O-OG1 2.84Å; E93-T95 VanDerWaalsContact C-N 3.32Å; E93-T95 HydrophobicContact CB-CG2 4.45Å; E93-T95 PolarHBondContact O-N 2.98Å; E93-T95 PolarHBondContact O-OG1 3.17Å; T95-N97 PolarHBondContact O-N 3.07Å; T95-N98 PolarHBondContact O-N 2.87Å; T95-F102 HydrophobicContact CG2-CB 4.26Å; T95-F102 HydrophobicContact CG2-CD2 4.27Å
96	S	48.8	Very low	60.4	Low	103 Å²	103	81.7 Å²	81.7	72%	0.72	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-30.4	-176.9	60.4	0	0	0	0	115.4
97	N	53.4	Low	62	Low	141 Å²	141	79.4 Å²	79.4	75%	0.754	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	1.1	-173.6	-65.6	27.8	0	0	0	113.7	T95	T95-N97 PolarHBondContact O-N 3.07Å
98	N	66.1	Low	63.5	Low	102 Å²	102	80.5 Å²	80.5	55%	0.545	39%	0.387	S	S	.	.			trans	-147.8	91	-178.4	-98.7	-47.7	0	0	0	112.7	T95 E100 K101 F102	T95-N98 PolarHBondContact O-N 2.87Å; N98-E100 VanDerWaalsContact C-N 3.35Å; N98-E100 PolarHBondContact O-N 2.89Å; N98-K101 HydrophobicContact CB-CB 3.91Å; N98-K101 WeakPolarHBondContact O-CB 3.41Å; N98-K101 PolarHBondContact O-N 2.93Å; N98-F102 PolarHBondContact O-N 3.31Å; N98-F102 VanDerWaalsContact O-N 3.11Å
99	R	66.9	Low	65.1	Low	107 Å²	107	81.6 Å²	81.6	40%	0.404	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-38.3	-177.7	-151.3	174.6	-153.3	-170.6	2.6	113.7	K101 F102 I103 E583 Q585	R99-K101 VanDerWaalsContact C-N 3.28Å; R99-K101 PolarHBondContact O-N 2.91Å; R99-F102 PolarHBondContact O-N 2.98Å; R99-I103 HydrophobicContact CG-CD1 4.48Å; R99-I103 WeakPolarHBondContact O-CG1 3.42Å; R99-I103 PolarHBondContact O-N 2.86Å; R99-I103 VanDerWaalsContact O-N 3.11Å; R99-E583 PolarHBondContact NH1-O 3.35Å; R99-E583 PolarHBondContact NH2-O 2.84Å; R99-Q585 VanDerWaalsContact NH1-OE1 3.09Å
100	E	70.8	Confident	66.4	Low	146 Å²	146	82.8 Å²	82.8	68%	0.682	40%	0.397	S	S	*	.	H	α-helix	trans	-60.6	-37.9	173.6	-173.8	-177.6	170	0	0	111.6	N98 R104	N98-E100 VanDerWaalsContact C-N 3.35Å; N98-E100 PolarHBondContact O-N 2.89Å; E100-R104 VanDerWaalsContact O-CB 3.31Å; E100-R104 WeakPolarHBondContact O-CB 3.49Å; E100-R104 PolarHBondContact O-N 3.03Å
101	K	70.2	Confident	68.2	Low	83 Å²	83	87.9 Å²	87.9	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-70.1	-43.3	177.8	-165.1	-174	-179.5	-164.3	0	111.5	E93 N98 R99 R104 T105	E93-K101 IonicContact OE1-NZ 2.6Å; E93-K101 PolarHBondContact OE1-NZ 3.34Å; E93-K101 WeakPolarHBondContact OE2-CE 3.31Å; E93-K101 IonicContact OE2-NZ 2.82Å; E93-K101 PolarHBondContact OE2-NZ 2.94Å; N98-K101 HydrophobicContact CB-CB 3.91Å; N98-K101 WeakPolarHBondContact O-CB 3.41Å; N98-K101 PolarHBondContact O-N 2.93Å; R99-K101 VanDerWaalsContact C-N 3.28Å; R99-K101 PolarHBondContact O-N 2.91Å; K101-R104 PolarHBondContact O-N 2.81Å; K101-T105 WeakPolarHBondContact O-CB 3.49Å; K101-T105 PolarHBondContact O-N 2.94Å; K101-T105 PolarHBondContact O-OG1 2.72Å
102	F	72	Confident	70.1	Confident	81 Å²	81	81.9 Å²	81.9	36%	0.355	40%	0.404	S	S	.	.	H	α-helix	trans	-54.6	-54.7	175	-179.9	-95.7	0	0	0	111.4	A90 T95 N98 R99 R104 T105 T106	A90-F102 HydrophobicContact CB-CD2 4.29Å; A90-F102 HydrophobicContact CB-CE2 4.02Å; T95-F102 HydrophobicContact CG2-CB 4.26Å; T95-F102 HydrophobicContact CG2-CD2 4.27Å; N98-F102 PolarHBondContact O-N 3.31Å; N98-F102 VanDerWaalsContact O-N 3.11Å; R99-F102 PolarHBondContact O-N 2.98Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 3.26Å; F102-T105 PolarHBondContact O-N 3.35Å; F102-T106 HydrophobicContact CE1-CG2 4.48Å; F102-T106 HydrophobicContact CZ-CG2 4.29Å; F102-T106 PolarHBondContact O-N 3.15Å; F102-T106 PolarHBondContact O-OG1 3.39Å
103	I	74	Confident	72.1	Confident	33 Å²	33	79.5 Å²	79.5	17%	0.169	39%	0.39	C	S	.	.	H	α-helix	trans	-59.4	-43.5	-179.6	-65.5	165.4	0	0	0	111	R99 T105 T106 L107 I586 L589	R99-I103 HydrophobicContact CG-CD1 4.48Å; R99-I103 WeakPolarHBondContact O-CG1 3.42Å; R99-I103 PolarHBondContact O-N 2.86Å; R99-I103 VanDerWaalsContact O-N 3.11Å; I103-T105 PolarHBondContact O-N 3.16Å; I103-T106 PolarHBondContact O-N 3.05Å; I103-T106 PolarHBondContact O-OG1 3.33Å; I103-L107 HydrophobicContact CG2-CD1 3.82Å; I103-L107 HydrophobicContact CG2-CG 4.31Å; I103-L107 WeakPolarHBondContact O-CB 3.4Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 3.18Å; I103-I586 HydrophobicContact CD1-CG1 4.23Å; I103-L589 HydrophobicContact CD1-CD1 3.92Å
104	R	76.4	Confident	74	Confident	195 Å²	195	80.2 Å²	80.2	74%	0.736	40%	0.395	S	S	*	.	H	α-helix	trans	-65.5	-36.5	179	-174.3	174.6	178.8	176.9	0.3	112.9	E100 K101 F102 R108	E100-R104 VanDerWaalsContact O-CB 3.31Å; E100-R104 WeakPolarHBondContact O-CB 3.49Å; E100-R104 PolarHBondContact O-N 3.03Å; K101-R104 PolarHBondContact O-N 2.81Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 3.26Å; R104-R108 PolarHBondContact O-N 3.07Å
105	T	77.8	Confident	76.4	Confident	10 Å²	10	75.8 Å²	75.8	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-69.9	-46.1	176.3	-67.1	0	0	0	0	111.1	A90 K101 F102 I103 R108 E109	A90-T105 HydrophobicContact CB-CG2 4.16Å; K101-T105 WeakPolarHBondContact O-CB 3.49Å; K101-T105 PolarHBondContact O-N 2.94Å; K101-T105 PolarHBondContact O-OG1 2.72Å; F102-T105 PolarHBondContact O-N 3.35Å; I103-T105 PolarHBondContact O-N 3.16Å; T105-R108 WeakPolarHBondContact O-CB 3.4Å; T105-R108 PolarHBondContact O-N 3.35Å; T105-E109 WeakPolarHBondContact CG2-OE1 3.23Å; T105-E109 WeakPolarHBondContact O-CG 3.42Å; T105-E109 PolarHBondContact O-N 3.21Å
106	T	79.4	Confident	78.4	Confident	12 Å²	12	74.8 Å²	74.8	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-68	-35.4	178.6	25.9	0	0	0	0	113.6	A90 F102 I103 R108 E109 L110 F465	A90-T106 HydrophobicContact CB-CG2 4.12Å; F102-T106 HydrophobicContact CE1-CG2 4.48Å; F102-T106 HydrophobicContact CZ-CG2 4.29Å; F102-T106 PolarHBondContact O-N 3.15Å; F102-T106 PolarHBondContact O-OG1 3.39Å; I103-T106 PolarHBondContact O-N 3.05Å; I103-T106 PolarHBondContact O-OG1 3.33Å; T106-R108 VanDerWaalsContact C-N 3.29Å; T106-R108 PolarHBondContact O-N 2.86Å; T106-E109 PolarHBondContact O-N 3.47Å; T106-L110 WeakPolarHBondContact O-CB 3.43Å; T106-L110 PolarHBondContact O-N 3.22Å; T106-F465 HydrophobicContact CG2-CE1 4.17Å; T106-F465 HydrophobicContact CG2-CZ 3.89Å
107	L	81.4	Confident	80.6	Confident	94 Å²	94	70.1 Å²	70.1	49%	0.492	33%	0.334	S	S	.	.	H	α-helix	trans	-64.8	-33.3	172.1	-75.6	173.5	0	0	0	112.3	I103 L111	I103-L107 HydrophobicContact CG2-CD1 3.82Å; I103-L107 HydrophobicContact CG2-CG 4.31Å; I103-L107 WeakPolarHBondContact O-CB 3.4Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 3.18Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 PolarHBondContact O-N 2.98Å
108	R	84.4	Confident	82.5	Confident	99 Å²	99	68.7 Å²	68.7	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-45	173	-179.9	-174.9	63.6	171.7	-1.5	111.1	A85 G88 R104 T105 T106 L111 V112	A85-R108 PolarHBondContact O-NH1 3.32Å; G88-R108 PolarHBondContact O-NH2 3.38Å; R104-R108 PolarHBondContact O-N 3.07Å; T105-R108 WeakPolarHBondContact O-CB 3.4Å; T105-R108 PolarHBondContact O-N 3.35Å; T106-R108 VanDerWaalsContact C-N 3.29Å; T106-R108 PolarHBondContact O-N 2.86Å; R108-L111 PolarHBondContact O-N 2.94Å; R108-V112 WeakPolarHBondContact O-CG2 3.49Å; R108-V112 PolarHBondContact O-N 3.1Å
109	E	85.9	Confident	83.8	Confident	29 Å²	29	64.4 Å²	64.4	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-46.3	175.6	-69.5	163.3	-171.8	0	0	111.3	T89 A90 T105 T106 L111 V112 Y113 Y462	T89-E109 VanDerWaalsContact CA-OE1 3.26Å; T89-E109 WeakPolarHBondContact CA-OE1 3.38Å; A90-E109 PolarHBondContact N-OE1 3.2Å; T105-E109 WeakPolarHBondContact CG2-OE1 3.23Å; T105-E109 WeakPolarHBondContact O-CG 3.42Å; T105-E109 PolarHBondContact O-N 3.21Å; T106-E109 PolarHBondContact O-N 3.47Å; E109-L111 PolarHBondContact O-N 3.45Å; E109-V112 PolarHBondContact O-N 2.91Å; E109-Y113 VanDerWaalsContact O-CB 3.29Å; E109-Y113 WeakPolarHBondContact O-CB 3.4Å; E109-Y113 PolarHBondContact O-N 3.19Å; E109-Y462 HydrophobicContact CB-CE1 3.88Å
110	L	87.4	Confident	85	Confident	33 Å²	33	59.9 Å²	59.9	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-44.9	174.5	170.5	59.1	0	0	0	112	T106 Y113 L114 Y462	T106-L110 WeakPolarHBondContact O-CB 3.43Å; T106-L110 PolarHBondContact O-N 3.22Å; L110-Y113 PolarHBondContact O-N 3.35Å; L110-L114 HydrophobicContact CD1-CD1 3.81Å; L110-L114 HydrophobicContact CD1-CD2 4.43Å; L110-L114 HydrophobicContact CD1-CG 3.83Å; L110-L114 HydrophobicContact CG-CD1 4.01Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.07Å; L110-Y462 HydrophobicContact CB-CD1 4.15Å; L110-Y462 HydrophobicContact CB-CG 4.26Å; L110-Y462 HydrophobicContact CD1-CD2 4.5Å; L110-Y462 HydrophobicContact CD1-CG 4.16Å
111	L	89.3	Confident	86	Confident	114 Å²	114	53.6 Å²	53.6	60%	0.597	26%	0.259	S	S	*	.	H	α-helix	trans	-64.1	-45.8	179.7	-167.5	159.3	0	0	0	111.3	L107 R108 E109 Y113 L114 V115	L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 PolarHBondContact O-N 2.98Å; R108-L111 PolarHBondContact O-N 2.94Å; E109-L111 PolarHBondContact O-N 3.45Å; L111-Y113 VanDerWaalsContact C-N 3.29Å; L111-Y113 PolarHBondContact O-N 3.48Å; L111-L114 PolarHBondContact O-N 3.26Å; L111-V115 HydrophobicContact CD2-CG2 4.32Å; L111-V115 WeakPolarHBondContact O-CG2 3.41Å; L111-V115 PolarHBondContact O-N 2.94Å; L111-V115 VanDerWaalsContact O-N 3.12Å
112	V	90.9	Very high	87.1	Confident	40 Å²	40	53.7 Å²	53.7	24%	0.242	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-43.4	174	172.8	0	0	0	0	110.6	R108 E109 V115 F116 F368 Y371	R108-V112 WeakPolarHBondContact O-CG2 3.49Å; R108-V112 PolarHBondContact O-N 3.1Å; E109-V112 PolarHBondContact O-N 2.91Å; V112-V115 PolarHBondContact O-N 2.74Å; V112-F116 PolarHBondContact O-N 2.99Å; V112-F368 HydrophobicContact CG1-CE1 4.12Å; V112-Y371 HydrophobicContact CG1-CE1 4.26Å
113	Y	91.7	Very high	87.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-36.1	179.5	-167.6	-106	0	0	0	113.5	E109 L110 L111 F116 L117 A455 K458 I459 Y462	E109-Y113 VanDerWaalsContact O-CB 3.29Å; E109-Y113 WeakPolarHBondContact O-CB 3.4Å; E109-Y113 PolarHBondContact O-N 3.19Å; L110-Y113 PolarHBondContact O-N 3.35Å; L111-Y113 VanDerWaalsContact C-N 3.29Å; L111-Y113 PolarHBondContact O-N 3.48Å; Y113-F116 AromaticContact CD2-CD1 3.97Å; Y113-F116 HydrophobicContact CD2-CD1 3.97Å; Y113-F116 AromaticContact CE2-CD1 3.51Å; Y113-F116 HydrophobicContact CE2-CD1 3.51Å; Y113-F116 AromaticContact CE2-CE1 3.86Å; Y113-F116 HydrophobicContact CE2-CE1 3.86Å; Y113-F116 PolarHBondContact O-N 3.41Å; Y113-L117 WeakPolarHBondContact O-CB 3.44Å; Y113-L117 PolarHBondContact O-N 3.45Å; Y113-A455 WeakPolarHBondContact OH-CA 3.4Å; Y113-A455 VanDerWaalsContact OH-CB 3.31Å; Y113-A455 WeakPolarHBondContact OH-CB 3.47Å; Y113-A455 PolarHBondContact OH-O 3.29Å; Y113-K458 HydrophobicContact CD2-CD 4.25Å; Y113-K458 HydrophobicContact CE1-CB 4.17Å; Y113-K458 HydrophobicContact CE1-CD 4.21Å; Y113-K458 HydrophobicContact CE1-CG 3.87Å; Y113-K458 HydrophobicContact CE2-CD 3.52Å; Y113-K458 HydrophobicContact CE2-CG 4.12Å; Y113-I459 HydrophobicContact CE1-CG1 4.16Å; Y113-Y462 HydrophobicContact CD1-CD2 4.08Å; Y113-Y462 AromaticContact CD1-CE2 3.69Å; Y113-Y462 HydrophobicContact CD1-CE2 3.69Å; Y113-Y462 HydrophobicContact CD2-CE2 4.43Å; Y113-Y462 HydrophobicContact CE1-CE2 4.4Å; Y113-Y462 HydrophobicContact CG-CD2 4.48Å; Y113-Y462 AromaticContact CG-CE2 3.74Å; Y113-Y462 HydrophobicContact CG-CE2 3.74Å
114	L	92.6	Very high	88.6	Confident	75 Å²	75	50.2 Å²	50.2	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-66.5	-37.9	174.2	-74.7	169.7	0	0	0	112.1	L110 L111 L117 L118	L110-L114 HydrophobicContact CD1-CD1 3.81Å; L110-L114 HydrophobicContact CD1-CD2 4.43Å; L110-L114 HydrophobicContact CD1-CG 3.83Å; L110-L114 HydrophobicContact CG-CD1 4.01Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.07Å; L111-L114 PolarHBondContact O-N 3.26Å; L114-L117 PolarHBondContact O-N 3.43Å; L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.15Å
115	V	93.9	Very high	89	Confident	70 Å²	70	49.3 Å²	49.3	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-43.8	174.2	178.3	0	0	0	0	110.7	L111 V112 L118 D119 F368	L111-V115 HydrophobicContact CD2-CG2 4.32Å; L111-V115 WeakPolarHBondContact O-CG2 3.41Å; L111-V115 PolarHBondContact O-N 2.94Å; L111-V115 VanDerWaalsContact O-N 3.12Å; V112-V115 PolarHBondContact O-N 2.74Å; V115-L118 PolarHBondContact O-N 2.95Å; V115-D119 WeakPolarHBondContact O-CB 3.46Å; V115-D119 PolarHBondContact O-N 3.09Å; V115-F368 HydrophobicContact CB-CZ 4.25Å; V115-F368 HydrophobicContact CG1-CE2 4.16Å; V115-F368 HydrophobicContact CG1-CZ 3.75Å
116	F	93.6	Very high	89.2	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-45.7	173	168	-102.9	0	0	0	112.4	V112 Y113 L118 D119 V120 F365 F368 I369 Y372 V399	V112-F116 PolarHBondContact O-N 2.99Å; Y113-F116 AromaticContact CD2-CD1 3.97Å; Y113-F116 HydrophobicContact CD2-CD1 3.97Å; Y113-F116 AromaticContact CE2-CD1 3.51Å; Y113-F116 HydrophobicContact CE2-CD1 3.51Å; Y113-F116 AromaticContact CE2-CE1 3.86Å; Y113-F116 HydrophobicContact CE2-CE1 3.86Å; Y113-F116 PolarHBondContact O-N 3.41Å; F116-L118 PolarHBondContact O-N 2.76Å; F116-D119 WeakPolarHBondContact O-CB 3.42Å; F116-D119 PolarHBondContact O-N 2.83Å; F116-V120 HydrophobicContact CD2-CG2 4.23Å; F116-V120 HydrophobicContact CE1-CG2 4.18Å; F116-V120 HydrophobicContact CE2-CG2 3.79Å; F116-V120 HydrophobicContact CZ-CG2 3.77Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.4Å; F116-F365 AromaticContact CE2-CD2 3.87Å; F116-F365 HydrophobicContact CE2-CD2 3.87Å; F116-F365 AromaticContact CE2-CE2 3.71Å; F116-F365 HydrophobicContact CE2-CE2 3.71Å; F116-F365 HydrophobicContact CZ-CE2 4.16Å; F116-F368 HydrophobicContact CB-CD1 4.2Å; F116-F368 HydrophobicContact CB-CD2 4.41Å; F116-F368 HydrophobicContact CB-CE1 4.36Å; F116-F368 HydrophobicContact CB-CG 4.24Å; F116-F368 HydrophobicContact CD2-CB 3.61Å; F116-F368 HydrophobicContact CD2-CD2 4.2Å; F116-F368 AromaticContact CD2-CG 3.89Å; F116-F368 HydrophobicContact CD2-CG 3.89Å; F116-F368 HydrophobicContact CE2-CB 4.17Å; F116-I369 HydrophobicContact CE2-CD1 3.98Å; F116-I369 HydrophobicContact CZ-CD1 4.25Å; F116-Y372 HydrophobicContact CB-CE2 4.27Å; F116-Y372 HydrophobicContact CD1-CE2 4.16Å; F116-Y372 AromaticContact CD2-CE2 3.99Å; F116-Y372 HydrophobicContact CD2-CE2 3.99Å; F116-Y372 HydrophobicContact CE2-CE2 4.34Å; F116-Y372 AromaticContact CG-CE2 3.86Å; F116-Y372 HydrophobicContact CG-CE2 3.86Å; F116-V399 HydrophobicContact CZ-CG1 4.42Å
117	L	93.6	Very high	89.1	Confident	6 Å²	6	52 Å²	52	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-42.7	178.2	-179	72.4	0	0	0	111.9	Y113 L114 D119 V120 C121 L452 A455 W456 I459	Y113-L117 WeakPolarHBondContact O-CB 3.44Å; Y113-L117 PolarHBondContact O-N 3.45Å; L114-L117 PolarHBondContact O-N 3.43Å; L117-D119 VanDerWaalsContact C-N 3.33Å; L117-V120 PolarHBondContact O-N 3.47Å; L117-C121 WeakPolarHBondContact O-CB 3.36Å; L117-C121 PolarHBondContact O-N 2.88Å; L117-C121 PolarHBondContact O-SG 3.07Å; L117-L452 HydrophobicContact CD1-CD1 4.34Å; L117-A455 HydrophobicContact CD1-CB 3.95Å; L117-W456 HydrophobicContact CD1-CD2 4.33Å; L117-W456 HydrophobicContact CD1-CG 4.44Å; L117-W456 HydrophobicContact CD2-CD2 4.37Å; L117-W456 HydrophobicContact CD2-CE3 4.25Å; L117-W456 HydrophobicContact CD2-CH2 4Å; L117-W456 HydrophobicContact CD2-CZ2 4.14Å; L117-W456 HydrophobicContact CD2-CZ3 4.06Å; L117-W456 HydrophobicContact CG-CZ2 4.43Å; L117-I459 HydrophobicContact CD2-CD1 3.42Å; L117-I459 VanDerWaalsContact CD2-CD1 3.42Å; L117-I459 HydrophobicContact CD2-CG1 4.05Å
118	L	94.3	Very high	89.1	Confident	111 Å²	111	51.4 Å²	51.4	58%	0.581	27%	0.269	S	S	*	.	H	α-helix	trans	-62.1	-40.6	175.7	-74.5	168.7	0	0	0	111.7	L114 V115 F116 C121 L122	L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.15Å; V115-L118 PolarHBondContact O-N 2.95Å; F116-L118 PolarHBondContact O-N 2.76Å; L118-C121 WeakPolarHBondContact O-CB 3.49Å; L118-C121 PolarHBondContact O-N 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.37Å
119	D	93.3	Very high	89.1	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.059	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-45.2	176.5	-169.5	54.6	0	0	0	111.9	V115 F116 L117 C121 L122 L123 C361 F365	V115-D119 WeakPolarHBondContact O-CB 3.46Å; V115-D119 PolarHBondContact O-N 3.09Å; F116-D119 WeakPolarHBondContact O-CB 3.42Å; F116-D119 PolarHBondContact O-N 2.83Å; L117-D119 VanDerWaalsContact C-N 3.33Å; D119-C121 VanDerWaalsContact C-N 3.32Å; D119-C121 PolarHBondContact O-N 2.91Å; D119-L122 PolarHBondContact O-N 3.05Å; D119-L123 WeakPolarHBondContact O-CG 3.43Å; D119-L123 PolarHBondContact O-N 3.48Å; D119-C361 VanDerWaalsContact OD1-CB 3.31Å; D119-C361 WeakPolarHBondContact OD1-CB 3.41Å; D119-C361 PolarHBondContact OD1-SG 3.16Å; D119-F365 VanDerWaalsContact OD2-CA 3.3Å; D119-F365 WeakPolarHBondContact OD2-CA 3.17Å; D119-F365 WeakPolarHBondContact OD2-CB 3.27Å; D119-F365 PolarHBondContact OD2-N 2.72Å; D119-F365 VanDerWaalsContact OD2-N 3.09Å
120	V	91.9	Very high	89.2	Confident	12 Å²	12	52.4 Å²	52.4	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-35.2	174	-177.9	0	0	0	0	112	F116 L117 T124 F365 L452	F116-V120 HydrophobicContact CD2-CG2 4.23Å; F116-V120 HydrophobicContact CE1-CG2 4.18Å; F116-V120 HydrophobicContact CE2-CG2 3.79Å; F116-V120 HydrophobicContact CZ-CG2 3.77Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.4Å; L117-V120 PolarHBondContact O-N 3.47Å; V120-T124 HydrophobicContact CG1-CG2 4.49Å; V120-T124 WeakPolarHBondContact O-CB 3.49Å; V120-T124 WeakPolarHBondContact O-CG2 3.48Å; V120-T124 PolarHBondContact O-N 3.24Å; V120-T124 PolarHBondContact O-OG1 2.95Å; V120-F365 HydrophobicContact CG2-CD2 3.75Å; V120-F365 HydrophobicContact CG2-CE2 3.61Å; V120-L452 HydrophobicContact CG1-CD1 4.04Å
121	C	92.9	Very high	89.3	Confident	15 Å²	15	53 Å²	53	10%	0.101	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-46.9	171.8	-68.5	0	0	0	0	111.3	L117 L118 D119 L123 T124 Y125	L117-C121 WeakPolarHBondContact O-CB 3.36Å; L117-C121 PolarHBondContact O-N 2.88Å; L117-C121 PolarHBondContact O-SG 3.07Å; L118-C121 WeakPolarHBondContact O-CB 3.49Å; L118-C121 PolarHBondContact O-N 3.38Å; D119-C121 VanDerWaalsContact C-N 3.32Å; D119-C121 PolarHBondContact O-N 2.91Å; C121-L123 VanDerWaalsContact C-N 3.31Å; C121-L123 PolarHBondContact O-N 2.85Å; C121-T124 WeakPolarHBondContact CA-OG1 3.49Å; C121-T124 PolarHBondContact O-N 3.27Å; C121-T124 PolarHBondContact O-OG1 2.79Å; C121-T124 VanDerWaalsContact O-OG1 3.13Å; C121-Y125 HydrophobicContact CB-CD2 4.39Å; C121-Y125 HydrophobicContact CB-CE2 4.49Å; C121-Y125 WeakPolarHBondContact O-CB 3.28Å; C121-Y125 WeakPolarHBondContact O-CD2 3.38Å; C121-Y125 PolarHBondContact O-N 3.42Å
122	L	91.5	Very high	89.4	Confident	85 Å²	85	48.9 Å²	48.9	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-39.1	177.6	-73.8	169.1	0	0	0	112.1	L118 D119 G126	L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.37Å; D119-L122 PolarHBondContact O-N 3.05Å; L122-G126 WeakPolarHBondContact O-CA 3.39Å; L122-G126 PolarHBondContact O-N 3.06Å
123	L	89.4	Confident	89.5	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-45.9	174.4	-73.3	-179.1	0	0	0	113	D119 C121 M127 V358 C361 E362 F365	D119-L123 WeakPolarHBondContact O-CG 3.43Å; D119-L123 PolarHBondContact O-N 3.48Å; C121-L123 VanDerWaalsContact C-N 3.31Å; C121-L123 PolarHBondContact O-N 2.85Å; L123-M127 VanDerWaalsContact O-CB 3.32Å; L123-M127 WeakPolarHBondContact O-CB 3.49Å; L123-M127 WeakPolarHBondContact O-CG 3.39Å; L123-M127 PolarHBondContact O-N 2.9Å; L123-V358 HydrophobicContact CD2-CG1 3.95Å; L123-C361 HydrophobicContact CD2-CB 3.49Å; L123-C361 VanDerWaalsContact CD2-CB 3.49Å; L123-C361 HydrophobicContact CG-CB 3.91Å; L123-E362 HydrophobicContact CD2-CB 4.38Å; L123-E362 HydrophobicContact CD2-CG 3.53Å; L123-F365 HydrophobicContact CD1-CB 3.62Å; L123-F365 HydrophobicContact CD1-CD1 4.33Å; L123-F365 HydrophobicContact CD1-CD2 4.27Å; L123-F365 HydrophobicContact CD1-CG 3.83Å
124	T	88.1	Confident	89.6	Confident	21 Å²	21	61.5 Å²	61.5	13%	0.129	33%	0.328	C	S	.	.	H	α-helix	trans	-70.2	-38.9	-178	45.5	0	0	0	0	112.3	V120 C121 T128 L452	V120-T124 HydrophobicContact CG1-CG2 4.49Å; V120-T124 WeakPolarHBondContact O-CB 3.49Å; V120-T124 WeakPolarHBondContact O-CG2 3.48Å; V120-T124 PolarHBondContact O-N 3.24Å; V120-T124 PolarHBondContact O-OG1 2.95Å; C121-T124 WeakPolarHBondContact CA-OG1 3.49Å; C121-T124 PolarHBondContact O-N 3.27Å; C121-T124 PolarHBondContact O-OG1 2.79Å; C121-T124 VanDerWaalsContact O-OG1 3.13Å; T124-T128 PolarHBondContact O-N 3.26Å; T124-T128 PolarHBondContact O-OG1 2.84Å; T124-L452 HydrophobicContact CG2-CD2 4.21Å
125	Y	84.8	Confident	89.7	Confident	175 Å²	175	58.7 Å²	58.7	69%	0.686	31%	0.312	S	S	*	.	H	α-helix	trans	-71.4	-42.2	171.5	-74.3	-62.8	0	0	0	112.7	C121 M127 T128	C121-Y125 HydrophobicContact CB-CD2 4.39Å; C121-Y125 HydrophobicContact CB-CE2 4.49Å; C121-Y125 WeakPolarHBondContact O-CB 3.28Å; C121-Y125 WeakPolarHBondContact O-CD2 3.38Å; C121-Y125 PolarHBondContact O-N 3.42Å; Y125-M127 PolarHBondContact O-N 3.24Å; Y125-T128 PolarHBondContact O-N 3.07Å
126	G	82	Confident	89.8	Confident	39 Å²	39	57.1 Å²	57.1	40%	0.402	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-26.4	175.4	0	0	0	0	0	113.4	L122	L122-G126 WeakPolarHBondContact O-CA 3.39Å; L122-G126 PolarHBondContact O-N 3.06Å
127	M	79	Confident	89.9	Confident	40 Å²	40	61.4 Å²	61.4	20%	0.197	32%	0.322	C	S	.	.	H	α-helix	trans	-79.2	-24	171.5	-87.3	-167.3	51.7	0	0	115.5	L123 Y125 R349 Y444 N445	L123-M127 VanDerWaalsContact O-CB 3.32Å; L123-M127 WeakPolarHBondContact O-CB 3.49Å; L123-M127 WeakPolarHBondContact O-CG 3.39Å; L123-M127 PolarHBondContact O-N 2.9Å; Y125-M127 PolarHBondContact O-N 3.24Å; M127-R349 VanDerWaalsContact CE-NH2 3.32Å; M127-R349 PolarHBondContact SD-NH2 3.18Å; M127-Y444 HydrophobicContact CE-CD1 4.03Å; M127-Y444 HydrophobicContact CE-CE1 3.63Å; M127-Y444 HydrophobicContact SD-CE1 3.73Å; M127-N445 WeakPolarHBondContact CE-OD1 3.4Å
128	T	81.6	Confident	89.9	Confident	81 Å²	81	62.8 Å²	62.8	50%	0.497	33%	0.334	S	S	.	.			trans	-119.7	105.6	-166.6	52.2	0	0	0	0	111.9	T124 Y125	T124-T128 PolarHBondContact O-N 3.26Å; T124-T128 PolarHBondContact O-OG1 2.84Å; Y125-T128 PolarHBondContact O-N 3.07Å
129	S	83.7	Confident	90	Very high	55 Å²	55	57.6 Å²	57.6	39%	0.385	31%	0.307	S	S	.	.			trans	-94.3	139.9	179.8	177.7	0	0	0	0	111.7	S131 S132	S129-S131 PolarHBondContact O-N 3.2Å; S129-S131 PolarHBondContact OG-N 2.88Å; S129-S132 VanDerWaalsContact O-CB 3.32Å; S129-S132 WeakPolarHBondContact O-CB 2.97Å; S129-S132 PolarHBondContact O-N 3.31Å; S129-S132 VanDerWaalsContact O-N 3.15Å; S129-S132 PolarHBondContact O-OG 3.02Å
130	S	88.2	Confident	90.1	Very high	94 Å²	94	58.3 Å²	58.3	66%	0.657	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.6	172.2	51.2	0	0	0	0	112.8	S132 Y133	S130-S132 PolarHBondContact O-N 3.42Å; S130-Y133 PolarHBondContact O-N 2.81Å
131	S	89.3	Confident	90.3	Very high	46 Å²	46	61.7 Å²	61.7	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-26.3	176	-53.7	0	0	0	0	113.2	S129 Y133 Y134 F135	S129-S131 PolarHBondContact O-N 3.2Å; S129-S131 PolarHBondContact OG-N 2.88Å; S131-Y133 VanDerWaalsContact C-N 3.27Å; S131-Y133 PolarHBondContact O-N 3.28Å; S131-Y134 PolarHBondContact O-N 3.43Å; S131-F135 WeakPolarHBondContact O-CB 3.39Å; S131-F135 PolarHBondContact O-N 3.41Å
132	S	90.8	Very high	90.4	Very high	27 Å²	27	61.9 Å²	61.9	19%	0.189	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-34.4	178.4	-55.3	0	0	0	0	112.4	S129 S130 T136 M320 T344	S129-S132 VanDerWaalsContact O-CB 3.32Å; S129-S132 WeakPolarHBondContact O-CB 2.97Å; S129-S132 PolarHBondContact O-N 3.31Å; S129-S132 VanDerWaalsContact O-N 3.15Å; S129-S132 PolarHBondContact O-OG 3.02Å; S130-S132 PolarHBondContact O-N 3.42Å; S132-T136 WeakPolarHBondContact O-CB 3.45Å; S132-T136 PolarHBondContact O-N 3.05Å; S132-T136 PolarHBondContact O-OG1 2.82Å; S132-M320 WeakPolarHBondContact OG-CE 3.27Å; S132-M320 PolarHBondContact OG-SD 3.16Å; S132-T344 PolarHBondContact O-OG1 3Å
133	Y	93.1	Very high	90.6	Very high	144 Å²	144	57.9 Å²	57.9	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-64.5	-50.7	174.3	171	-100.3	0	0	0	111.6	S130 S131 F135 T136 K137	S130-Y133 PolarHBondContact O-N 2.81Å; S131-Y133 VanDerWaalsContact C-N 3.27Å; S131-Y133 PolarHBondContact O-N 3.28Å; Y133-F135 VanDerWaalsContact C-N 3.32Å; Y133-F135 PolarHBondContact O-N 2.67Å; Y133-T136 PolarHBondContact O-N 3.02Å; Y133-K137 HydrophobicContact CE1-CD 4.48Å; Y133-K137 WeakPolarHBondContact O-CB 3.25Å; Y133-K137 PolarHBondContact O-N 3.4Å
134	Y	94.4	Very high	90.9	Very high	162 Å²	162	57 Å²	57	64%	0.635	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-37.5	-179.3	-68.2	-76.4	0	0	0	112.2	S131 K137 A138	S131-Y134 PolarHBondContact O-N 3.43Å; Y134-K137 PolarHBondContact O-N 2.84Å; Y134-A138 WeakPolarHBondContact O-CB 3.41Å; Y134-A138 PolarHBondContact O-N 3.04Å
135	F	94.4	Very high	91.1	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.066	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-44.7	175.5	-175	-152.7	0	0	0	111.9	S131 Y133 K137 A138 M139 N198 N315 I318 M320 C322 T344	S131-F135 WeakPolarHBondContact O-CB 3.39Å; S131-F135 PolarHBondContact O-N 3.41Å; Y133-F135 VanDerWaalsContact C-N 3.32Å; Y133-F135 PolarHBondContact O-N 2.67Å; F135-K137 VanDerWaalsContact C-N 3.32Å; F135-K137 PolarHBondContact O-N 3.27Å; F135-A138 PolarHBondContact O-N 3.14Å; F135-M139 HydrophobicContact CD2-CG 4.32Å; F135-M139 HydrophobicContact CE2-CE 3.7Å; F135-M139 HydrophobicContact CE2-CG 4.17Å; F135-M139 HydrophobicContact CZ-CE 4.49Å; F135-M139 PolarHBondContact O-N 2.85Å; F135-N198 WeakPolarHBondContact CE2-OD1 3.49Å; F135-N315 HydrophobicContact CE1-CB 4.06Å; F135-N315 HydrophobicContact CE2-CB 4.28Å; F135-N315 HydrophobicContact CZ-CB 3.8Å; F135-I318 HydrophobicContact CB-CD1 4.2Å; F135-I318 HydrophobicContact CD1-CD1 3.96Å; F135-I318 HydrophobicContact CG-CD1 4.23Å; F135-M320 HydrophobicContact CD1-CB 4.05Å; F135-M320 HydrophobicContact CE1-CB 3.92Å; F135-C322 HydrophobicContact CD1-CB 4.38Å; F135-C322 HydrophobicContact CE1-CB 3.65Å; F135-C322 HydrophobicContact CE2-CB 4.11Å; F135-C322 HydrophobicContact CZ-CB 3.49Å; F135-C322 VanDerWaalsContact CZ-CB 3.49Å; F135-T344 HydrophobicContact CB-CG2 4.08Å; F135-T344 HydrophobicContact CD1-CG2 3.46Å; F135-T344 VanDerWaalsContact CD1-CG2 3.46Å; F135-T344 HydrophobicContact CE1-CG2 4.11Å; F135-T344 HydrophobicContact CG-CG2 3.88Å
136	T	95	Very high	91.5	Very high	37 Å²	37	51.8 Å²	51.8	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-45.5	172.6	-57.8	0	0	0	0	110.8	S132 Y133 M139 T140 I342 T344	S132-T136 WeakPolarHBondContact O-CB 3.45Å; S132-T136 PolarHBondContact O-N 3.05Å; S132-T136 PolarHBondContact O-OG1 2.82Å; Y133-T136 PolarHBondContact O-N 3.02Å; T136-M139 PolarHBondContact O-N 3.14Å; T136-T140 WeakPolarHBondContact O-CB 3.27Å; T136-T140 PolarHBondContact O-N 2.72Å; T136-T140 PolarHBondContact O-OG1 2.96Å; T136-I342 HydrophobicContact CG2-CB 4.47Å; T136-I342 HydrophobicContact CG2-CG2 4.05Å; T136-T344 WeakPolarHBondContact OG1-CG2 3.49Å; T136-T344 PolarHBondContact OG1-OG1 3.28Å; T136-T344 VanDerWaalsContact OG1-OG1 3.07Å
137	K	95.6	Very high	91.9	Very high	93 Å²	93	52.8 Å²	52.8	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-48.8	-178.6	-177.9	174.9	176.2	179.5	0	111.6	Y133 Y134 F135 M139 T140 D141	Y133-K137 HydrophobicContact CE1-CD 4.48Å; Y133-K137 WeakPolarHBondContact O-CB 3.25Å; Y133-K137 PolarHBondContact O-N 3.4Å; Y134-K137 PolarHBondContact O-N 2.84Å; F135-K137 VanDerWaalsContact C-N 3.32Å; F135-K137 PolarHBondContact O-N 3.27Å; K137-M139 VanDerWaalsContact C-N 3.29Å; K137-M139 PolarHBondContact O-N 2.56Å; K137-T140 CarbonylContact O-C 3.56Å; K137-T140 WeakPolarHBondContact O-CA 3.25Å; K137-T140 WeakPolarHBondContact O-CB 3.42Å; K137-T140 PolarHBondContact O-N 3.07Å; K137-D141 WeakPolarHBondContact CE-OD2 3.19Å; K137-D141 WeakPolarHBondContact CG-OD2 3.4Å; K137-D141 PolarHBondContact O-N 2.84Å
138	A	95.1	Very high	92.3	Very high	36 Å²	36	51.8 Å²	51.8	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-40.5	179.4	0	0	0	0	0	112.3	Y134 F135 L142 Y195	Y134-A138 WeakPolarHBondContact O-CB 3.41Å; Y134-A138 PolarHBondContact O-N 3.04Å; F135-A138 PolarHBondContact O-N 3.14Å; A138-L142 WeakPolarHBondContact O-CB 3.17Å; A138-L142 PolarHBondContact O-N 2.91Å; A138-Y195 HydrophobicContact CB-CE2 4.21Å
139	M	95.3	Very high	92.4	Very high	1 Å²	1	57 Å²	57	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-32.9	174.5	-69.7	-66.6	178.1	0	0	112.9	F135 T136 K137 F143 I194 N198 A313 I342	F135-M139 HydrophobicContact CD2-CG 4.32Å; F135-M139 HydrophobicContact CE2-CE 3.7Å; F135-M139 HydrophobicContact CE2-CG 4.17Å; F135-M139 HydrophobicContact CZ-CE 4.49Å; F135-M139 PolarHBondContact O-N 2.85Å; T136-M139 PolarHBondContact O-N 3.14Å; K137-M139 VanDerWaalsContact C-N 3.29Å; K137-M139 PolarHBondContact O-N 2.56Å; M139-F143 WeakPolarHBondContact O-CD2 3.49Å; M139-F143 PolarHBondContact O-N 3.28Å; M139-F143 HydrophobicContact SD-CD2 4.33Å; M139-F143 HydrophobicContact SD-CE2 3.89Å; M139-I194 HydrophobicContact CE-CB 4.19Å; M139-I194 HydrophobicContact CE-CD1 4.45Å; M139-I194 HydrophobicContact CE-CG2 3.86Å; M139-I194 HydrophobicContact SD-CG2 4.12Å; M139-N198 HydrophobicContact CE-CB 3.75Å; M139-A313 HydrophobicContact CE-CB 4.32Å; M139-I342 HydrophobicContact CB-CG2 4.23Å
140	T	96.6	Very high	92.4	Very high	27 Å²	27	60 Å²	60	17%	0.166	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-51.1	173.3	-51.7	0	0	0	0	110.9	T136 K137 L142 F143 V144 G145 Y340	T136-T140 WeakPolarHBondContact O-CB 3.27Å; T136-T140 PolarHBondContact O-N 2.72Å; T136-T140 PolarHBondContact O-OG1 2.96Å; K137-T140 CarbonylContact O-C 3.56Å; K137-T140 WeakPolarHBondContact O-CA 3.25Å; K137-T140 WeakPolarHBondContact O-CB 3.42Å; K137-T140 PolarHBondContact O-N 3.07Å; T140-L142 PolarHBondContact O-N 3.43Å; T140-F143 PolarHBondContact O-N 3.48Å; T140-V144 HydrophobicContact CG2-CB 4.13Å; T140-V144 HydrophobicContact CG2-CG2 4.22Å; T140-V144 WeakPolarHBondContact O-CA 3.48Å; T140-V144 VanDerWaalsContact O-CB 3.22Å; T140-V144 WeakPolarHBondContact O-CB 3.32Å; T140-V144 PolarHBondContact O-N 3.36Å; T140-G145 PolarHBondContact O-N 2.86Å; T140-Y340 HydrophobicContact CG2-CE2 3.83Å
141	D	95.4	Very high	92.5	Very high	82 Å²	82	58 Å²	58	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-37.1	179.7	-64.5	-12.8	0	0	0	110.5	K137 G145 S146	K137-D141 WeakPolarHBondContact CE-OD2 3.19Å; K137-D141 WeakPolarHBondContact CG-OD2 3.4Å; K137-D141 PolarHBondContact O-N 2.84Å; D141-G145 CarbonylContact O-C 3.59Å; D141-G145 WeakPolarHBondContact O-CA 3.44Å; D141-G145 PolarHBondContact O-N 3.46Å; D141-S146 PolarHBondContact O-N 3.4Å
142	L	95.6	Very high	92.5	Very high	20 Å²	20	56.6 Å²	56.6	11%	0.105	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-55.3	176.2	-175.8	61.1	0	0	0	113.8	A138 T140 S146 W177 I194 Y195	A138-L142 WeakPolarHBondContact O-CB 3.17Å; A138-L142 PolarHBondContact O-N 2.91Å; T140-L142 PolarHBondContact O-N 3.43Å; L142-S146 WeakPolarHBondContact O-CB 3.4Å; L142-S146 PolarHBondContact O-OG 3.41Å; L142-W177 HydrophobicContact CD1-CZ2 4.2Å; L142-W177 HydrophobicContact CD2-CZ2 4.38Å; L142-I194 HydrophobicContact CD2-CG2 3.37Å; L142-Y195 HydrophobicContact CB-CE2 3.99Å; L142-Y195 HydrophobicContact CD2-CD2 4.24Å; L142-Y195 HydrophobicContact CD2-CE2 3.77Å; L142-Y195 HydrophobicContact CG-CE2 4.34Å
143	F	95.9	Very high	92.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-90.3	-24.8	-170.6	-72.6	-70.8	0	0	0	114.1	M139 T140 Y166 L171 L175 I194 F311	M139-F143 WeakPolarHBondContact O-CD2 3.49Å; M139-F143 PolarHBondContact O-N 3.28Å; M139-F143 HydrophobicContact SD-CD2 4.33Å; M139-F143 HydrophobicContact SD-CE2 3.89Å; T140-F143 PolarHBondContact O-N 3.48Å; F143-Y166 WeakPolarHBondContact O-CE2 3.25Å; F143-Y166 PolarHBondContact O-OH 3.1Å; F143-L171 HydrophobicContact CD1-CD1 4.4Å; F143-L171 HydrophobicContact CE1-CD1 4.43Å; F143-L175 HydrophobicContact CE1-CD2 4.3Å; F143-L175 HydrophobicContact CE1-CG 4.05Å; F143-L175 HydrophobicContact CZ-CD2 4.13Å; F143-L175 HydrophobicContact CZ-CG 4.28Å; F143-I194 HydrophobicContact CE2-CD1 4.25Å; F143-I194 HydrophobicContact CZ-CD1 4.05Å; F143-F311 HydrophobicContact CD1-CZ 4Å; F143-F311 HydrophobicContact CD2-CE2 4.41Å; F143-F311 AromaticContact CD2-CZ 3.87Å; F143-F311 HydrophobicContact CD2-CZ 3.87Å; F143-F311 HydrophobicContact CE1-CE2 4.42Å; F143-F311 AromaticContact CE1-CZ 3.74Å; F143-F311 HydrophobicContact CE1-CZ 3.74Å; F143-F311 AromaticContact CE2-CE2 3.78Å; F143-F311 HydrophobicContact CE2-CE2 3.78Å; F143-F311 AromaticContact CE2-CZ 3.59Å; F143-F311 HydrophobicContact CE2-CZ 3.59Å; F143-F311 HydrophobicContact CG-CZ 4.08Å; F143-F311 AromaticContact CZ-CE2 3.79Å; F143-F311 HydrophobicContact CZ-CE2 3.79Å; F143-F311 AromaticContact CZ-CZ 3.53Å; F143-F311 HydrophobicContact CZ-CZ 3.53Å
144	V	95.3	Very high	92.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-37.3	-174.9	-175.2	0	0	0	0	111.6	T140 F154 Q155 L326 Y340 I342	T140-V144 HydrophobicContact CG2-CB 4.13Å; T140-V144 HydrophobicContact CG2-CG2 4.22Å; T140-V144 WeakPolarHBondContact O-CA 3.48Å; T140-V144 VanDerWaalsContact O-CB 3.22Å; T140-V144 WeakPolarHBondContact O-CB 3.32Å; T140-V144 PolarHBondContact O-N 3.36Å; V144-F154 HydrophobicContact CG1-CB 4.49Å; V144-F154 HydrophobicContact CG1-CD1 4.33Å; V144-Q155 HydrophobicContact CG1-CG 3.52Å; V144-L326 HydrophobicContact CG2-CD2 4.34Å; V144-Y340 HydrophobicContact CG1-CD1 3.92Å; V144-Y340 HydrophobicContact CG1-CE1 3.76Å; V144-Y340 HydrophobicContact CG1-CE2 4.47Å; V144-Y340 HydrophobicContact CG1-CG 4.37Å; V144-Y340 HydrophobicContact CG2-CD1 4.18Å; V144-Y340 HydrophobicContact CG2-CD2 3.78Å; V144-Y340 HydrophobicContact CG2-CE2 4.15Å; V144-Y340 HydrophobicContact CG2-CG 3.79Å; V144-I342 HydrophobicContact CG2-CD1 4.29Å
145	G	92.8	Very high	92.8	Very high	52 Å²	52	47.7 Å²	47.7	54%	0.536	29%	0.286	S	S	.	.	S	Bend	trans	-89.6	-16.6	-177.4	0	0	0	0	0	115.9	T140 D141	T140-G145 PolarHBondContact O-N 2.86Å; D141-G145 CarbonylContact O-C 3.59Å; D141-G145 WeakPolarHBondContact O-CA 3.44Å; D141-G145 PolarHBondContact O-N 3.46Å
146	S	91.8	Very high	92.8	Very high	35 Å²	35	50.9 Å²	50.9	25%	0.245	31%	0.307	C	S	.	.			trans	-73	146.5	176.4	63.7	0	0	0	0	111.9	D141 L142 T153	D141-S146 PolarHBondContact O-N 3.4Å; L142-S146 WeakPolarHBondContact O-CB 3.4Å; L142-S146 PolarHBondContact O-OG 3.41Å; S146-T153 WeakPolarHBondContact O-CA 3.22Å; S146-T153 WeakPolarHBondContact O-CB 3.45Å
147	A	90.3	Very high	92.8	Very high	59 Å²	59	49.3 Å²	49.3	49%	0.488	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-108.4	141.8	178.4	0	0	0	0	0	110.8	V152 T153	A147-V152 CarbonylContact C-O 3.46Å; A147-V152 WeakPolarHBondContact CA-O 3.48Å; A147-T153 HydrophobicContact CB-CG2 3.85Å
148	S	88.9	Confident	92.7	Very high	19 Å²	19	46.5 Å²	46.5	13%	0.133	29%	0.294	C	S	.	.			trans	-67.8	170.1	166.6	-166.3	0	0	0	0	110.8	N150 G151 V152 D165	S148-N150 PolarHBondContact O-N 2.84Å; S148-N150 VanDerWaalsContact O-N 3.13Å; S148-G151 PolarHBondContact O-N 2.86Å; S148-V152 PolarHBondContact N-O 2.95Å; S148-D165 PolarHBondContact OG-O 3.49Å; S148-D165 VanDerWaalsContact OG-O 3.08Å
149	Q	82.8	Confident	92.7	Very high	190 Å²	190	47.9 Å²	47.9	89%	0.888	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.7	177.8	-60.6	-176.6	18.5	0	0	112.2	G151	Q149-G151 VanDerWaalsContact C-N 3.28Å; Q149-G151 PolarHBondContact O-N 3.4Å
150	N	84.6	Confident	92.7	Very high	120 Å²	120	50.9 Å²	50.9	64%	0.642	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	5.6	175.4	-64.8	-17.4	0	0	0	113.8	S148 V152 D165	S148-N150 PolarHBondContact O-N 2.84Å; S148-N150 VanDerWaalsContact O-N 3.13Å; N150-V152 VanDerWaalsContact C-N 3.31Å; N150-V152 PolarHBondContact O-N 3.49Å; N150-D165 PolarHBondContact ND2-OD2 3.3Å
151	G	88.5	Confident	92.5	Very high	51 Å²	51	52.3 Å²	52.3	53%	0.526	33%	0.329	S	S	.	.	S	Bend	trans	84.6	-7.6	179.5	0	0	0	0	0	115.5	S148 Q149 T153	S148-G151 PolarHBondContact O-N 2.86Å; Q149-G151 VanDerWaalsContact C-N 3.28Å; Q149-G151 PolarHBondContact O-N 3.4Å; G151-T153 PolarHBondContact O-N 2.99Å
152	V	91.1	Very high	92.5	Very high	16 Å²	16	50.2 Å²	50.2	10%	0.097	32%	0.318	C	S	.	.			trans	-67.1	115.9	179.1	178.7	0	0	0	0	111	A147 S148 N150 I157 D162	A147-V152 CarbonylContact C-O 3.46Å; A147-V152 WeakPolarHBondContact CA-O 3.48Å; S148-V152 PolarHBondContact N-O 2.95Å; N150-V152 VanDerWaalsContact C-N 3.31Å; N150-V152 PolarHBondContact O-N 3.49Å; V152-I157 HydrophobicContact CG1-CG1 4.04Å; V152-D162 HydrophobicContact CG1-CB 3.94Å; V152-D162 HydrophobicContact CG2-CB 4.32Å
153	T	94.6	Very high	92.5	Very high	30 Å²	30	49.3 Å²	49.3	18%	0.184	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-92.8	164	161.7	72.3	0	0	0	0	110.6	S146 A147 G151 Q155 T156 I157	S146-T153 WeakPolarHBondContact O-CA 3.22Å; S146-T153 WeakPolarHBondContact O-CB 3.45Å; A147-T153 HydrophobicContact CB-CG2 3.85Å; G151-T153 PolarHBondContact O-N 2.99Å; T153-Q155 VanDerWaalsContact C-N 3.26Å; T153-Q155 PolarHBondContact O-N 3.07Å; T153-T156 PolarHBondContact N-OG1 3.45Å; T153-T156 PolarHBondContact O-N 3.16Å; T153-T156 PolarHBondContact O-OG1 3.36Å; T153-T156 PolarHBondContact OG1-OG1 3.01Å; T153-I157 PolarHBondContact O-N 3.25Å
154	F	95.2	Very high	92.5	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.4	-39.2	179.5	-174.5	-102	0	0	0	113.2	V144 T156 I157 Y166 L326 V328 P338 S339	V144-F154 HydrophobicContact CG1-CB 4.49Å; V144-F154 HydrophobicContact CG1-CD1 4.33Å; F154-T156 PolarHBondContact O-N 3.47Å; F154-I157 HydrophobicContact CD2-CD1 3.62Å; F154-I157 HydrophobicContact CE2-CD1 4.02Å; F154-I157 HydrophobicContact CG-CD1 4.35Å; F154-I157 WeakPolarHBondContact O-CG1 3.33Å; F154-I157 PolarHBondContact O-N 3.07Å; F154-Y166 HydrophobicContact CB-CD2 4.2Å; F154-Y166 HydrophobicContact CB-CE2 3.7Å; F154-Y166 HydrophobicContact CD2-CD1 4.07Å; F154-Y166 HydrophobicContact CD2-CD2 4.37Å; F154-Y166 AromaticContact CD2-CE1 3.67Å; F154-Y166 HydrophobicContact CD2-CE1 3.67Å; F154-Y166 AromaticContact CD2-CE2 4Å; F154-Y166 HydrophobicContact CD2-CE2 4Å; F154-Y166 HydrophobicContact CD2-CG 4.41Å; F154-Y166 AromaticContact CD2-CZ 3.64Å; F154-Y166 HydrophobicContact CE2-CE1 4.27Å; F154-Y166 HydrophobicContact CG-CE2 4.31Å; F154-L326 HydrophobicContact CD2-CD1 4.5Å; F154-L326 HydrophobicContact CE1-CD2 4.36Å; F154-L326 HydrophobicContact CE2-CB 3.86Å; F154-L326 HydrophobicContact CE2-CD1 4.38Å; F154-L326 HydrophobicContact CZ-CB 3.76Å; F154-L326 HydrophobicContact CZ-CD2 4.38Å; F154-V328 HydrophobicContact CE2-CG2 3.69Å; F154-V328 HydrophobicContact CZ-CG2 3.82Å; F154-P338 HydrophobicContact CD1-CB 4.16Å; F154-P338 HydrophobicContact CE1-CB 3.77Å; F154-P338 HydrophobicContact CZ-CB 4.01Å; F154-P338 WeakPolarHBondContact O-CB 3.42Å; F154-P338 VanDerWaalsContact O-CG 3.26Å; F154-P338 WeakPolarHBondContact O-CG 3.29Å; F154-S339 WeakPolarHBondContact CE1-O 3.42Å
155	Q	93.9	Very high	92.5	Very high	115 Å²	115	52.5 Å²	52.5	54%	0.537	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70.7	-17.2	179.2	-63.1	-174.1	-8.1	0	0	113.5	V144 T153	V144-Q155 HydrophobicContact CG1-CG 3.52Å; T153-Q155 VanDerWaalsContact C-N 3.26Å; T153-Q155 PolarHBondContact O-N 3.07Å
156	T	94.8	Very high	92.7	Very high	83 Å²	83	50 Å²	50	51%	0.509	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-100.9	6	-178.3	56.7	0	0	0	0	114.2	T153 F154 G158	T153-T156 PolarHBondContact N-OG1 3.45Å; T153-T156 PolarHBondContact O-N 3.16Å; T153-T156 PolarHBondContact O-OG1 3.36Å; T153-T156 PolarHBondContact OG1-OG1 3.01Å; F154-T156 PolarHBondContact O-N 3.47Å; T156-G158 PolarHBondContact O-N 2.78Å
157	I	95.2	Very high	92.8	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	29%	0.291	C	S	.	.			trans	-63.1	105.2	175.4	-65.1	172.2	0	0	0	109.1	V152 T153 F154 D162 F163 Y166 V328 A336 P338	V152-I157 HydrophobicContact CG1-CG1 4.04Å; T153-I157 PolarHBondContact O-N 3.25Å; F154-I157 HydrophobicContact CD2-CD1 3.62Å; F154-I157 HydrophobicContact CE2-CD1 4.02Å; F154-I157 HydrophobicContact CG-CD1 4.35Å; F154-I157 WeakPolarHBondContact O-CG1 3.33Å; F154-I157 PolarHBondContact O-N 3.07Å; I157-D162 HydrophobicContact CB-CB 4.38Å; I157-D162 HydrophobicContact CG1-CB 4.43Å; I157-D162 HydrophobicContact CG2-CB 4.15Å; I157-F163 HydrophobicContact CG2-CB 4.13Å; I157-Y166 HydrophobicContact CD1-CD1 4.17Å; I157-Y166 HydrophobicContact CD1-CD2 4.45Å; I157-Y166 HydrophobicContact CD1-CG 3.89Å; I157-V328 HydrophobicContact CD1-CG2 4.37Å; I157-V328 HydrophobicContact CG2-CG1 4.13Å; I157-A336 HydrophobicContact CG2-CB 4.06Å; I157-P338 HydrophobicContact CB-CG 4.48Å
158	G	93.6	Very high	93	Very high	34 Å²	34	49.2 Å²	49.2	35%	0.351	29%	0.285	S	S	.	.			trans	-105	-18.6	179.2	0	0	0	0	0	114	T156 D162 G335 A336	T156-G158 PolarHBondContact O-N 2.78Å; G158-D162 PolarHBondContact N-OD2 2.81Å; G158-D162 VanDerWaalsContact N-OD2 3.14Å; G158-G335 CarbonylContact O-C 3.54Å; G158-G335 WeakPolarHBondContact O-CA 3.27Å; G158-A336 PolarHBondContact O-N 3.15Å
159	T	94.4	Very high	93.3	Very high	66 Å²	66	49.1 Å²	49.1	41%	0.405	29%	0.287	S	S	.	.	S	Bend	trans	-135	167.8	-175.8	74.2	0	0	0	0	112.4	A161 D162 F163	T159-A161 PolarHBondContact O-N 2.89Å; T159-A161 PolarHBondContact OG1-N 3.2Å; T159-D162 WeakPolarHBondContact CA-OD2 3.5Å; T159-D162 WeakPolarHBondContact CB-OD2 3.38Å; T159-D162 WeakPolarHBondContact CG2-OD2 3.5Å; T159-D162 PolarHBondContact N-OD2 2.93Å; T159-D162 PolarHBondContact O-N 2.95Å; T159-D162 PolarHBondContact OG1-N 3.35Å; T159-D162 PolarHBondContact OG1-OD1 3.18Å; T159-D162 PolarHBondContact OG1-OD2 3.46Å; T159-F163 PolarHBondContact O-N 3.48Å
160	M	94.8	Very high	93.8	Very high	63 Å²	63	40.6 Å²	40.6	31%	0.31	25%	0.248	S	C	.	.	H	α-helix	trans	-67.6	-20.1	172.3	-69.6	170.5	174.8	0	0	113.2	D301 F330	M160-D301 WeakPolarHBondContact CE-O 3.4Å; M160-F330 HydrophobicContact CB-CE1 4.41Å; M160-F330 HydrophobicContact CE-CB 4.36Å; M160-F330 HydrophobicContact CE-CD1 3.67Å; M160-F330 HydrophobicContact CE-CE1 4.11Å; M160-F330 HydrophobicContact CE-CG 3.99Å; M160-F330 HydrophobicContact CG-CD1 3.89Å; M160-F330 HydrophobicContact CG-CE1 3.41Å; M160-F330 VanDerWaalsContact CG-CE1 3.41Å; M160-F330 HydrophobicContact CG-CZ 4.08Å
161	A	93.9	Very high	94.4	Very high	58 Å²	58	34.9 Å²	34.9	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-75.1	-47.4	174	0	0	0	0	0	110.6	T159 F163 W164 D165	T159-A161 PolarHBondContact O-N 2.89Å; T159-A161 PolarHBondContact OG1-N 3.2Å; A161-F163 PolarHBondContact O-N 3.4Å; A161-F163 VanDerWaalsContact O-N 3.16Å; A161-W164 PolarHBondContact O-N 3.39Å; A161-D165 PolarHBondContact O-N 3.43Å
162	D	95.2	Very high	94.6	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.203	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-33.4	176.3	-49.4	-41.6	0	0	0	111.9	V152 I157 G158 T159 Y166	V152-D162 HydrophobicContact CG1-CB 3.94Å; V152-D162 HydrophobicContact CG2-CB 4.32Å; I157-D162 HydrophobicContact CB-CB 4.38Å; I157-D162 HydrophobicContact CG1-CB 4.43Å; I157-D162 HydrophobicContact CG2-CB 4.15Å; G158-D162 PolarHBondContact N-OD2 2.81Å; G158-D162 VanDerWaalsContact N-OD2 3.14Å; T159-D162 WeakPolarHBondContact CA-OD2 3.5Å; T159-D162 WeakPolarHBondContact CB-OD2 3.38Å; T159-D162 WeakPolarHBondContact CG2-OD2 3.5Å; T159-D162 PolarHBondContact N-OD2 2.93Å; T159-D162 PolarHBondContact O-N 2.95Å; T159-D162 PolarHBondContact OG1-N 3.35Å; T159-D162 PolarHBondContact OG1-OD1 3.18Å; T159-D162 PolarHBondContact OG1-OD2 3.46Å; D162-Y166 WeakPolarHBondContact O-CB 3.47Å; D162-Y166 PolarHBondContact O-N 2.99Å
163	F	95.8	Very high	94.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-46	173.3	176.2	-89.7	0	0	0	112.7	I157 T159 A161 Y166 A167 M206 L300 V307 I309 V328	I157-F163 HydrophobicContact CG2-CB 4.13Å; T159-F163 PolarHBondContact O-N 3.48Å; A161-F163 PolarHBondContact O-N 3.4Å; A161-F163 VanDerWaalsContact O-N 3.16Å; F163-Y166 PolarHBondContact O-N 2.84Å; F163-A167 HydrophobicContact CE1-CB 4.3Å; F163-A167 VanDerWaalsContact O-CB 3.3Å; F163-A167 WeakPolarHBondContact O-CB 3.34Å; F163-A167 PolarHBondContact O-N 3.01Å; F163-M206 HydrophobicContact CE1-CE 4.07Å; F163-M206 HydrophobicContact CZ-CE 3.83Å; F163-L300 HydrophobicContact CD1-CD1 3.45Å; F163-L300 VanDerWaalsContact CD1-CD1 3.45Å; F163-L300 HydrophobicContact CE1-CD1 3.66Å; F163-L300 HydrophobicContact CG-CD1 4.25Å; F163-V307 HydrophobicContact CE2-CB 4.33Å; F163-V307 HydrophobicContact CE2-CG1 4.04Å; F163-V307 HydrophobicContact CZ-CB 4.32Å; F163-V307 HydrophobicContact CZ-CG1 3.67Å; F163-I309 HydrophobicContact CE2-CD1 4.08Å; F163-I309 HydrophobicContact CZ-CD1 4.05Å; F163-V328 HydrophobicContact CD2-CB 4.18Å; F163-V328 HydrophobicContact CD2-CG1 4.42Å; F163-V328 HydrophobicContact CD2-CG2 3.9Å; F163-V328 HydrophobicContact CE2-CB 4.45Å; F163-V328 HydrophobicContact CE2-CG2 4.14Å
164	W	95.6	Very high	94.6	Very high	18 Å²	18	36 Å²	36	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-70	-39.4	178.5	-72.3	119.7	0	0	0	111.7	A161 Y166 A167 Q168 L291 L294 M295 W299 L300	A161-W164 PolarHBondContact O-N 3.39Å; W164-Y166 VanDerWaalsContact C-N 3.26Å; W164-Y166 PolarHBondContact O-N 2.97Å; W164-A167 HydrophobicContact CE3-CB 4.44Å; W164-A167 PolarHBondContact O-N 3.29Å; W164-Q168 PolarHBondContact O-N 3.1Å; W164-L291 HydrophobicContact CZ3-CD2 4.21Å; W164-L294 HydrophobicContact CH2-CB 3.69Å; W164-L294 HydrophobicContact CZ3-CB 4.36Å; W164-M295 HydrophobicContact CB-CE 4.32Å; W164-M295 HydrophobicContact CB-SD 4.12Å; W164-M295 HydrophobicContact CD2-CB 4.03Å; W164-M295 HydrophobicContact CD2-CG 4.04Å; W164-M295 HydrophobicContact CD2-SD 4.48Å; W164-M295 HydrophobicContact CE3-CB 4.15Å; W164-M295 HydrophobicContact CG-CE 4.5Å; W164-M295 HydrophobicContact CG-CG 4.08Å; W164-M295 HydrophobicContact CG-SD 4.16Å; W164-M295 HydrophobicContact CH2-CB 4.33Å; W164-M295 HydrophobicContact CZ2-CB 4.19Å; W164-M295 HydrophobicContact CZ3-CB 4.3Å; W164-W299 HydrophobicContact CH2-CE3 4.29Å; W164-L300 HydrophobicContact CZ2-CB 4.4Å; W164-L300 HydrophobicContact CZ2-CD1 3.98Å; W164-L300 HydrophobicContact CZ2-CG 3.73Å
165	D	95.1	Very high	94.6	Very high	51 Å²	51	36 Å²	36	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-58.9	-35.4	172.4	-84.9	14	0	0	0	112.7	S148 N150 A161 G169	S148-D165 PolarHBondContact OG-O 3.49Å; S148-D165 VanDerWaalsContact OG-O 3.08Å; N150-D165 PolarHBondContact ND2-OD2 3.3Å; A161-D165 PolarHBondContact O-N 3.43Å; D165-G169 PolarHBondContact O-N 2.87Å
166	Y	95.9	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73	-46.2	172.4	173.8	-93.1	0	0	0	112	F143 F154 I157 D162 F163 W164 G169 P170 L171 L326	F143-Y166 WeakPolarHBondContact O-CE2 3.25Å; F143-Y166 PolarHBondContact O-OH 3.1Å; F154-Y166 HydrophobicContact CB-CD2 4.2Å; F154-Y166 HydrophobicContact CB-CE2 3.7Å; F154-Y166 HydrophobicContact CD2-CD1 4.07Å; F154-Y166 HydrophobicContact CD2-CD2 4.37Å; F154-Y166 AromaticContact CD2-CE1 3.67Å; F154-Y166 HydrophobicContact CD2-CE1 3.67Å; F154-Y166 AromaticContact CD2-CE2 4Å; F154-Y166 HydrophobicContact CD2-CE2 4Å; F154-Y166 HydrophobicContact CD2-CG 4.41Å; F154-Y166 AromaticContact CD2-CZ 3.64Å; F154-Y166 HydrophobicContact CE2-CE1 4.27Å; F154-Y166 HydrophobicContact CG-CE2 4.31Å; I157-Y166 HydrophobicContact CD1-CD1 4.17Å; I157-Y166 HydrophobicContact CD1-CD2 4.45Å; I157-Y166 HydrophobicContact CD1-CG 3.89Å; D162-Y166 WeakPolarHBondContact O-CB 3.47Å; D162-Y166 PolarHBondContact O-N 2.99Å; F163-Y166 PolarHBondContact O-N 2.84Å; W164-Y166 VanDerWaalsContact C-N 3.26Å; W164-Y166 PolarHBondContact O-N 2.97Å; Y166-G169 CarbonylContact O-C 3.53Å; Y166-P170 HydrophobicContact CD2-CB 3.89Å; Y166-P170 HydrophobicContact CD2-CG 4.19Å; Y166-P170 HydrophobicContact CE2-CB 3.84Å; Y166-P170 WeakPolarHBondContact O-CD 3.02Å; Y166-L171 HydrophobicContact CD1-CB 4.38Å; Y166-L171 HydrophobicContact CE1-CB 3.93Å; Y166-L171 HydrophobicContact CE1-CD1 4.46Å; Y166-L171 PolarHBondContact O-N 3.3Å; Y166-L326 HydrophobicContact CE1-CD1 4.12Å; Y166-L326 VanDerWaalsContact OH-CD1 3.23Å; Y166-L326 WeakPolarHBondContact OH-CD1 3.09Å
167	A	95.4	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-67.1	-39.9	-175	0	0	0	0	0	113	F163 W164 L171 L291	F163-A167 HydrophobicContact CE1-CB 4.3Å; F163-A167 VanDerWaalsContact O-CB 3.3Å; F163-A167 WeakPolarHBondContact O-CB 3.34Å; F163-A167 PolarHBondContact O-N 3.01Å; W164-A167 HydrophobicContact CE3-CB 4.44Å; W164-A167 PolarHBondContact O-N 3.29Å; A167-L171 HydrophobicContact CB-CD2 4.27Å; A167-L291 HydrophobicContact CB-CD1 4.42Å; A167-L291 VanDerWaalsContact O-CD1 3.31Å; A167-L291 WeakPolarHBondContact O-CD1 3.18Å
168	Q	94.7	Very high	93.9	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	19%	0.192	S	C	.	.	I	π-helix	trans	-82.5	-27.9	179.4	-65.3	-179.1	2.1	0	0	112.9	W164 L291 M295	W164-Q168 PolarHBondContact O-N 3.1Å; Q168-L291 HydrophobicContact CG-CB 4.21Å; Q168-L291 HydrophobicContact CG-CD1 4.48Å; Q168-M295 PolarHBondContact NE2-SD 3.25Å
169	G	93.7	Very high	93.6	Very high	18 Å²	18	37 Å²	37	19%	0.186	20%	0.198	C	C	.	.	I	π-helix	trans	-94.5	-106.4	176.1	0	0	0	0	0	112.5	D165 Y166 L171 L172 E173	D165-G169 PolarHBondContact O-N 2.87Å; Y166-G169 CarbonylContact O-C 3.53Å; G169-L171 PolarHBondContact O-N 3.42Å; G169-L172 PolarHBondContact O-N 2.87Å; G169-E173 WeakPolarHBondContact O-CG 3.5Å; G169-E173 PolarHBondContact O-N 2.74Å; G169-E173 VanDerWaalsContact O-N 3.11Å
170	P	94.7	Very high	93.2	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.065	20%	0.197	C	C	.	.	I	π-helix	trans	-42.3	-40.8	-173.2	-34.1	35.6	0	0	0	116.7	Y166 E173 G174	Y166-P170 HydrophobicContact CD2-CB 3.89Å; Y166-P170 HydrophobicContact CD2-CG 4.19Å; Y166-P170 HydrophobicContact CE2-CB 3.84Å; Y166-P170 WeakPolarHBondContact O-CD 3.02Å; P170-E173 PolarHBondContact O-N 2.86Å; P170-G174 PolarHBondContact O-N 3.14Å
171	L	95.6	Very high	92.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-65	-51.4	-180	178.6	67	0	0	0	112.3	F143 Y166 A167 G169 E173 G174 L175 I309 F311 L326	F143-L171 HydrophobicContact CD1-CD1 4.4Å; F143-L171 HydrophobicContact CE1-CD1 4.43Å; Y166-L171 HydrophobicContact CD1-CB 4.38Å; Y166-L171 HydrophobicContact CE1-CB 3.93Å; Y166-L171 HydrophobicContact CE1-CD1 4.46Å; Y166-L171 PolarHBondContact O-N 3.3Å; A167-L171 HydrophobicContact CB-CD2 4.27Å; G169-L171 PolarHBondContact O-N 3.42Å; L171-E173 VanDerWaalsContact C-N 3.29Å; L171-E173 PolarHBondContact O-N 2.71Å; L171-G174 PolarHBondContact O-N 2.85Å; L171-L175 HydrophobicContact CD1-CD1 3.84Å; L171-L175 HydrophobicContact CD1-CG 4.34Å; L171-L175 HydrophobicContact CG-CD1 3.93Å; L171-L175 WeakPolarHBondContact O-CB 3.31Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.26Å; L171-L175 PolarHBondContact O-N 2.84Å; L171-I309 HydrophobicContact CD1-CG2 4.23Å; L171-I309 HydrophobicContact CD2-CD1 3.68Å; L171-I309 HydrophobicContact CD2-CG2 4.11Å; L171-F311 HydrophobicContact CD1-CE1 4.47Å; L171-L326 HydrophobicContact CD1-CD1 4.33Å
172	L	94.5	Very high	92.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-32	177.7	-70.1	-172.6	0	0	0	112.2	G169 Y176 K284 A288 L291	G169-L172 PolarHBondContact O-N 2.87Å; L172-Y176 HydrophobicContact CB-CD2 4.46Å; L172-Y176 HydrophobicContact CD2-CD2 3.94Å; L172-Y176 HydrophobicContact CD2-CE2 3.65Å; L172-Y176 WeakPolarHBondContact O-CD2 3.06Å; L172-Y176 PolarHBondContact O-N 3.32Å; L172-K284 HydrophobicContact CB-CG 4.28Å; L172-A288 HydrophobicContact CD1-CB 3.76Å; L172-L291 HydrophobicContact CD1-CD1 4.08Å; L172-L291 HydrophobicContact CD2-CD1 3.94Å; L172-L291 HydrophobicContact CG-CD1 3.97Å
173	E	92.4	Very high	92.1	Very high	115 Å²	115	49.9 Å²	49.9	54%	0.537	24%	0.237	S	C	.	.	H	α-helix	trans	-76.9	-33.7	178.5	-52.5	-144.5	129.2	0	0	112.2	G169 P170 L171 K284	G169-E173 WeakPolarHBondContact O-CG 3.5Å; G169-E173 PolarHBondContact O-N 2.74Å; G169-E173 VanDerWaalsContact O-N 3.11Å; P170-E173 PolarHBondContact O-N 2.86Å; L171-E173 VanDerWaalsContact C-N 3.29Å; L171-E173 PolarHBondContact O-N 2.71Å; E173-K284 IonicContact OE1-NZ 2.69Å; E173-K284 PolarHBondContact OE1-NZ 3.35Å
174	G	92.9	Very high	91.7	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-35.7	171.8	0	0	0	0	0	113.4	P170 L171 W177	P170-G174 PolarHBondContact O-N 3.14Å; L171-G174 PolarHBondContact O-N 2.85Å; G174-W177 PolarHBondContact O-NE1 2.93Å
175	L	93.6	Very high	91.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-81	-43.1	-179	-73.9	168.9	0	0	0	114.3	F143 L171 S192 I194 L200 P204 F311	F143-L175 HydrophobicContact CE1-CD2 4.3Å; F143-L175 HydrophobicContact CE1-CG 4.05Å; F143-L175 HydrophobicContact CZ-CD2 4.13Å; F143-L175 HydrophobicContact CZ-CG 4.28Å; L171-L175 HydrophobicContact CD1-CD1 3.84Å; L171-L175 HydrophobicContact CD1-CG 4.34Å; L171-L175 HydrophobicContact CG-CD1 3.93Å; L171-L175 WeakPolarHBondContact O-CB 3.31Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.26Å; L171-L175 PolarHBondContact O-N 2.84Å; L175-S192 PolarHBondContact O-OG 2.91Å; L175-I194 HydrophobicContact CD2-CD1 4.49Å; L175-L200 HydrophobicContact CD2-CD1 4.02Å; L175-L200 HydrophobicContact CD2-CD2 4.49Å; L175-P204 HydrophobicContact CD1-CB 4.4Å; L175-P204 HydrophobicContact CD1-CG 3.83Å; L175-P204 HydrophobicContact CD2-CG 4.1Å; L175-F311 HydrophobicContact CD2-CD1 4.26Å; L175-F311 HydrophobicContact CD2-CD2 3.74Å; L175-F311 HydrophobicContact CD2-CE1 4.2Å; L175-F311 HydrophobicContact CD2-CE2 3.68Å; L175-F311 HydrophobicContact CD2-CG 4.04Å; L175-F311 HydrophobicContact CD2-CZ 3.91Å
176	Y	92.7	Very high	90.6	Very high	8 Å²	8	58.6 Å²	58.6	3%	0.031	29%	0.288	C	S	.	.			trans	-116.7	85.2	-166.2	-55.4	-79.6	0	0	0	112.6	L172 T178 L200 S281 R282 K284 S287	L172-Y176 HydrophobicContact CB-CD2 4.46Å; L172-Y176 HydrophobicContact CD2-CD2 3.94Å; L172-Y176 HydrophobicContact CD2-CE2 3.65Å; L172-Y176 WeakPolarHBondContact O-CD2 3.06Å; L172-Y176 PolarHBondContact O-N 3.32Å; Y176-T178 PolarHBondContact O-N 2.79Å; Y176-L200 HydrophobicContact CE1-CD2 4.39Å; Y176-S281 PolarHBondContact OH-O 3.37Å; Y176-R282 WeakPolarHBondContact CE1-O 3.29Å; Y176-K284 HydrophobicContact CD2-CB 4.31Å; Y176-K284 HydrophobicContact CD2-CG 4.29Å; Y176-K284 HydrophobicContact CG-CB 4.03Å; Y176-K284 HydrophobicContact CG-CG 4.42Å; Y176-S287 PolarHBondContact OH-OG 3.42Å
177	W	90.9	Very high	89.5	Confident	58 Å²	58	65.8 Å²	65.8	22%	0.22	33%	0.327	C	S	.	.			trans	-81.6	94.5	-179.4	-70	60.1	0	0	0	110.4	L142 G174 L186 Y195 Y196	L142-W177 HydrophobicContact CD1-CZ2 4.2Å; L142-W177 HydrophobicContact CD2-CZ2 4.38Å; G174-W177 PolarHBondContact O-NE1 2.93Å; W177-L186 VanDerWaalsContact O-CD2 3.22Å; W177-L186 WeakPolarHBondContact O-CD2 3.46Å; W177-Y195 AromaticContact CH2-CD1 3.41Å; W177-Y195 HydrophobicContact CH2-CD1 3.41Å; W177-Y195 VanDerWaalsContact CH2-CD1 3.41Å; W177-Y195 AromaticContact CH2-CE1 3.73Å; W177-Y195 HydrophobicContact CH2-CE1 3.73Å; W177-Y195 HydrophobicContact CH2-CG 4.2Å; W177-Y195 AromaticContact CZ2-CD1 3.71Å; W177-Y195 HydrophobicContact CZ2-CD1 3.71Å; W177-Y195 AromaticContact CZ2-CE1 3.95Å; W177-Y195 HydrophobicContact CZ2-CE1 3.95Å; W177-Y195 HydrophobicContact CZ2-CG 4.14Å; W177-Y195 HydrophobicContact CZ3-CD1 4.27Å; W177-Y196 HydrophobicContact CE3-CD1 4.44Å; W177-Y196 AromaticContact CE3-CE1 3.83Å; W177-Y196 HydrophobicContact CE3-CE1 3.83Å; W177-Y196 HydrophobicContact CE3-CE2 4.23Å; W177-Y196 AromaticContact CE3-CZ 3.7Å; W177-Y196 HydrophobicContact CZ3-CE1 4.43Å; W177-Y196 HydrophobicContact CZ3-CE2 4.04Å; W177-Y196 AromaticContact CZ3-CZ 3.86Å
178	T	86.5	Confident	88.2	Confident	80 Å²	80	67.4 Å²	67.4	49%	0.491	34%	0.338	S	S	.	.			trans	-95.3	-1.3	-178.8	59.7	0	0	0	0	114.3	Y176 L186	Y176-T178 PolarHBondContact O-N 2.79Å; T178-L186 PolarHBondContact O-N 3.28Å
179	K	87.3	Confident	87.2	Confident	112 Å²	112	66.6 Å²	66.6	49%	0.487	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-139.5	146.3	-175.8	-64	179.9	-174.4	172.7	0	113.1	Q184 Y196	K179-Q184 CarbonylContact C-O 3.48Å; K179-Q184 VanDerWaalsContact CA-O 3.29Å; K179-Q184 WeakPolarHBondContact CA-O 3.41Å; K179-Y196 WeakPolarHBondContact O-CE1 3.07Å; K179-Y196 PolarHBondContact O-OH 2.93Å; K179-Y196 VanDerWaalsContact O-OH 3.07Å
180	W	86.4	Confident	86.2	Confident	102 Å²	102	72.1 Å²	72.1	39%	0.386	38%	0.375	S	S	.	.			trans	-69.9	160.6	162.5	-72	110.8	0	0	0	111.5	N182 N183 Q184 L186 Y196	W180-N182 WeakPolarHBondContact CB-OD1 3.31Å; W180-N182 PolarHBondContact O-N 3.5Å; W180-N183 WeakPolarHBondContact O-CA 3.32Å; W180-N183 PolarHBondContact O-N 2.93Å; W180-Q184 PolarHBondContact N-O 2.95Å; W180-L186 HydrophobicContact CD2-CD1 3.92Å; W180-L186 HydrophobicContact CE3-CD1 4.46Å; W180-L186 HydrophobicContact CG-CD1 4.47Å; W180-L186 HydrophobicContact CH2-CD1 3.95Å; W180-L186 HydrophobicContact CZ2-CD1 3.33Å; W180-L186 HydrophobicContact CZ3-CD1 4.47Å; W180-Y196 WeakPolarHBondContact CA-OH 3.2Å; W180-Y196 HydrophobicContact CD2-CE1 4.32Å; W180-Y196 AromaticContact CE3-CD1 3.86Å; W180-Y196 HydrophobicContact CE3-CD1 3.86Å; W180-Y196 HydrophobicContact CE3-CD2 4.25Å; W180-Y196 AromaticContact CE3-CE1 3.67Å; W180-Y196 HydrophobicContact CE3-CE1 3.67Å; W180-Y196 HydrophobicContact CE3-CE2 4.07Å; W180-Y196 HydrophobicContact CE3-CG 4.16Å; W180-Y196 AromaticContact CE3-CZ 3.78Å; W180-Y196 HydrophobicContact CH2-CD1 4.26Å; W180-Y196 HydrophobicContact CH2-CG 4.29Å; W180-Y196 AromaticContact CZ3-CD1 3.66Å; W180-Y196 HydrophobicContact CZ3-CD1 3.66Å; W180-Y196 AromaticContact CZ3-CD2 3.86Å; W180-Y196 HydrophobicContact CZ3-CD2 3.86Å; W180-Y196 AromaticContact CZ3-CE1 3.97Å; W180-Y196 HydrophobicContact CZ3-CE1 3.97Å; W180-Y196 HydrophobicContact CZ3-CE2 4.14Å; W180-Y196 AromaticContact CZ3-CG 3.6Å; W180-Y196 HydrophobicContact CZ3-CG 3.6Å
181	Y	84.8	Confident	85.5	Confident	196 Å²	196	76 Å²	76	77%	0.769	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.1	174.7	63.2	-92.6	0	0	0	114.5	Y196	Y181-Y196 PolarHBondContact N-OH 3.47Å
182	N	90.1	Very high	85.1	Confident	74 Å²	74	76.6 Å²	76.6	40%	0.396	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	13.6	175	70.1	2.2	0	0	0	113.4	W180 Q184	W180-N182 WeakPolarHBondContact CB-OD1 3.31Å; W180-N182 PolarHBondContact O-N 3.5Å; N182-Q184 PolarHBondContact ND2-OE1 3.14Å; N182-Q184 PolarHBondContact O-N 3.32Å; N182-Q184 VanDerWaalsContact OD1-CB 3.24Å; N182-Q184 WeakPolarHBondContact OD1-CB 3.46Å; N182-Q184 WeakPolarHBondContact OD1-CG 3.3Å; N182-Q184 PolarHBondContact OD1-N 3.11Å
183	N	85.4	Confident	84.9	Confident	123 Å²	123	78.7 Å²	78.7	66%	0.658	41%	0.406	S	S	*	.	S	Bend	trans	63.6	6.6	-174.8	-80.5	-64.1	0	0	0	117	W180	W180-N183 WeakPolarHBondContact O-CA 3.32Å; W180-N183 PolarHBondContact O-N 2.93Å
184	Q	88.1	Confident	84.9	Confident	124 Å²	124	73.2 Å²	73.2	58%	0.579	38%	0.381	S	S	*	.			trans	-70.9	147	169.7	-64.4	174.4	-22.1	0	0	110.6	K179 W180 N182 L186	K179-Q184 CarbonylContact C-O 3.48Å; K179-Q184 VanDerWaalsContact CA-O 3.29Å; K179-Q184 WeakPolarHBondContact CA-O 3.41Å; W180-Q184 PolarHBondContact N-O 2.95Å; N182-Q184 PolarHBondContact ND2-OE1 3.14Å; N182-Q184 PolarHBondContact O-N 3.32Å; N182-Q184 VanDerWaalsContact OD1-CB 3.24Å; N182-Q184 WeakPolarHBondContact OD1-CB 3.46Å; N182-Q184 WeakPolarHBondContact OD1-CG 3.3Å; N182-Q184 PolarHBondContact OD1-N 3.11Å; Q184-L186 PolarHBondContact O-N 2.9Å
185	S	84.8	Confident	84.9	Confident	101 Å²	101	77.2 Å²	77.2	71%	0.706	40%	0.395	S	S	*	.	B	Isolated β-bridge	trans	-60.7	133.1	176.3	49.6	0	0	0	0	111.5
186	L	82.9	Confident	84.7	Confident	27 Å²	27	80.3 Å²	80.3	14%	0.141	41%	0.408	C	S	.	.			trans	-84.9	112.2	171.3	-176.8	71	0	0	0	108.9	W177 T178 W180 Q184 S188 Y196	W177-L186 VanDerWaalsContact O-CD2 3.22Å; W177-L186 WeakPolarHBondContact O-CD2 3.46Å; T178-L186 PolarHBondContact O-N 3.28Å; W180-L186 HydrophobicContact CD2-CD1 3.92Å; W180-L186 HydrophobicContact CE3-CD1 4.46Å; W180-L186 HydrophobicContact CG-CD1 4.47Å; W180-L186 HydrophobicContact CH2-CD1 3.95Å; W180-L186 HydrophobicContact CZ2-CD1 3.33Å; W180-L186 HydrophobicContact CZ3-CD1 4.47Å; Q184-L186 PolarHBondContact O-N 2.9Å; L186-S188 WeakPolarHBondContact CD2-OG 3.44Å; L186-S188 WeakPolarHBondContact CG-OG 3.18Å; L186-S188 PolarHBondContact O-N 2.83Å; L186-Y196 HydrophobicContact CD1-CD1 4.17Å; L186-Y196 HydrophobicContact CD2-CD1 3.93Å; L186-Y196 HydrophobicContact CD2-CE1 4.26Å
187	D	73.1	Confident	84.6	Confident	151 Å²	151	85 Å²	85	81%	0.807	43%	0.43	S	S	*	.			trans	-84.3	99.5	171.4	-172.5	7.3	0	0	0	109.6	G189	D187-G189 PolarHBondContact OD1-N 3.49Å
188	S	66.4	Low	84.8	Confident	35 Å²	35	82.8 Å²	82.8	25%	0.245	42%	0.422	C	S	.	.			trans	-117.8	13.5	175.2	-64.4	0	0	0	0	112.6	L186 N190 Q191	L186-S188 WeakPolarHBondContact CD2-OG 3.44Å; L186-S188 WeakPolarHBondContact CG-OG 3.18Å; L186-S188 PolarHBondContact O-N 2.83Å; S188-N190 PolarHBondContact O-N 2.96Å; S188-Q191 WeakPolarHBondContact CB-O 3.24Å; S188-Q191 PolarHBondContact O-N 3.36Å
189	G	73.8	Confident	85	Confident	59 Å²	59	81.2 Å²	81.2	61%	0.608	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	-130.4	-170.3	0	0	0	0	0	111.8	D187 Q191	D187-G189 PolarHBondContact OD1-N 3.49Å; G189-Q191 VanDerWaalsContact C-N 3.33Å; G189-Q191 PolarHBondContact O-N 2.9Å
190	N	73.4	Confident	85.3	Confident	133 Å²	133	76.6 Å²	76.6	71%	0.711	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	6.1	-177.3	-62	18.5	0	0	0	113.8	S188 R282	S188-N190 PolarHBondContact O-N 2.96Å; N190-R282 VanDerWaalsContact O-CZ 3.25Å; N190-R282 PolarHBondContact O-NE 2.79Å; N190-R282 PolarHBondContact O-NH2 3.43Å
191	Q	80.6	Confident	85.5	Confident	91 Å²	91	72.8 Å²	72.8	43%	0.425	38%	0.377	S	S	.	.			trans	-109.7	141.1	-177.4	-73.1	-179	-36.4	0	0	111.3	S188 G189 F193 M199	S188-Q191 WeakPolarHBondContact CB-O 3.24Å; S188-Q191 PolarHBondContact O-N 3.36Å; G189-Q191 VanDerWaalsContact C-N 3.33Å; G189-Q191 PolarHBondContact O-N 2.9Å; Q191-F193 HydrophobicContact CB-CD2 4.41Å; Q191-F193 HydrophobicContact CB-CE2 3.65Å; Q191-F193 HydrophobicContact CB-CZ 4.19Å; Q191-M199 PolarHBondContact NE2-SD 3.19Å
192	S	86.7	Confident	85.7	Confident	14 Å²	14	64 Å²	64	10%	0.098	35%	0.347	C	S	.	.			trans	-98.8	138.4	172	-169.9	0	0	0	0	110.7	L175 L200	L175-S192 PolarHBondContact O-OG 2.91Å; S192-L200 PolarHBondContact O-N 2.94Å
193	F	90.6	Very high	85.8	Confident	47 Å²	47	60.9 Å²	60.9	21%	0.206	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.7	179.4	-68.7	-92.9	0	0	0	110.9	Q191 Y195 Y196 N198 M199	Q191-F193 HydrophobicContact CB-CD2 4.41Å; Q191-F193 HydrophobicContact CB-CE2 3.65Å; Q191-F193 HydrophobicContact CB-CZ 4.19Å; F193-Y195 PolarHBondContact O-N 2.94Å; F193-Y196 PolarHBondContact O-N 3.28Å; F193-Y196 VanDerWaalsContact O-N 3.1Å; F193-N198 CarbonylContact C-O 3.1Å; F193-N198 WeakPolarHBondContact CA-O 3.43Å; F193-M199 HydrophobicContact CD1-CB 3.98Å; F193-M199 HydrophobicContact CD1-CG 4.45Å; F193-M199 HydrophobicContact CE1-CB 3.65Å; F193-M199 HydrophobicContact CE1-CG 3.85Å; F193-M199 HydrophobicContact CE1-SD 4.38Å; F193-M199 HydrophobicContact CZ-CB 4.39Å; F193-M199 HydrophobicContact CZ-CG 4.08Å; F193-M199 HydrophobicContact CZ-SD 4.38Å
194	I	92.6	Very high	86.3	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.1	176.8	-56.1	171.3	0	0	0	108.4	M139 L142 F143 L175 Y196 N198 L200 F311 A313	M139-I194 HydrophobicContact CE-CB 4.19Å; M139-I194 HydrophobicContact CE-CD1 4.45Å; M139-I194 HydrophobicContact CE-CG2 3.86Å; M139-I194 HydrophobicContact SD-CG2 4.12Å; L142-I194 HydrophobicContact CD2-CG2 3.37Å; F143-I194 HydrophobicContact CE2-CD1 4.25Å; F143-I194 HydrophobicContact CZ-CD1 4.05Å; L175-I194 HydrophobicContact CD2-CD1 4.49Å; I194-Y196 PolarHBondContact O-N 2.88Å; I194-N198 HydrophobicContact CB-CB 4.24Å; I194-N198 PolarHBondContact N-O 2.98Å; I194-N198 VanDerWaalsContact O-CB 3.3Å; I194-N198 WeakPolarHBondContact O-CB 3.41Å; I194-N198 PolarHBondContact O-N 3.27Å; I194-N198 PolarHBondContact O-ND2 2.87Å; I194-L200 HydrophobicContact CD1-CD1 4.42Å; I194-F311 HydrophobicContact CD1-CE2 4.44Å; I194-A313 HydrophobicContact CD1-CB 4.38Å
195	Y	91.9	Very high	86.6	Confident	86 Å²	86	50 Å²	50	34%	0.337	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	30.9	-169.7	-66.4	-66.8	0	0	0	114	A138 L142 W177 F193 E197	A138-Y195 HydrophobicContact CB-CE2 4.21Å; L142-Y195 HydrophobicContact CB-CE2 3.99Å; L142-Y195 HydrophobicContact CD2-CD2 4.24Å; L142-Y195 HydrophobicContact CD2-CE2 3.77Å; L142-Y195 HydrophobicContact CG-CE2 4.34Å; W177-Y195 AromaticContact CH2-CD1 3.41Å; W177-Y195 HydrophobicContact CH2-CD1 3.41Å; W177-Y195 VanDerWaalsContact CH2-CD1 3.41Å; W177-Y195 AromaticContact CH2-CE1 3.73Å; W177-Y195 HydrophobicContact CH2-CE1 3.73Å; W177-Y195 HydrophobicContact CH2-CG 4.2Å; W177-Y195 AromaticContact CZ2-CD1 3.71Å; W177-Y195 HydrophobicContact CZ2-CD1 3.71Å; W177-Y195 AromaticContact CZ2-CE1 3.95Å; W177-Y195 HydrophobicContact CZ2-CE1 3.95Å; W177-Y195 HydrophobicContact CZ2-CG 4.14Å; W177-Y195 HydrophobicContact CZ3-CD1 4.27Å; F193-Y195 PolarHBondContact O-N 2.94Å; Y195-E197 PolarHBondContact O-N 2.85Å
196	Y	90.1	Very high	87.2	Confident	65 Å²	65	45.2 Å²	45.2	26%	0.255	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-18.9	-179.3	-42.1	-65.1	0	0	0	116.7	W177 K179 W180 Y181 L186 F193 I194	W177-Y196 HydrophobicContact CE3-CD1 4.44Å; W177-Y196 AromaticContact CE3-CE1 3.83Å; W177-Y196 HydrophobicContact CE3-CE1 3.83Å; W177-Y196 HydrophobicContact CE3-CE2 4.23Å; W177-Y196 AromaticContact CE3-CZ 3.7Å; W177-Y196 HydrophobicContact CZ3-CE1 4.43Å; W177-Y196 HydrophobicContact CZ3-CE2 4.04Å; W177-Y196 AromaticContact CZ3-CZ 3.86Å; K179-Y196 WeakPolarHBondContact O-CE1 3.07Å; K179-Y196 PolarHBondContact O-OH 2.93Å; K179-Y196 VanDerWaalsContact O-OH 3.07Å; W180-Y196 WeakPolarHBondContact CA-OH 3.2Å; W180-Y196 HydrophobicContact CD2-CE1 4.32Å; W180-Y196 AromaticContact CE3-CD1 3.86Å; W180-Y196 HydrophobicContact CE3-CD1 3.86Å; W180-Y196 HydrophobicContact CE3-CD2 4.25Å; W180-Y196 AromaticContact CE3-CE1 3.67Å; W180-Y196 HydrophobicContact CE3-CE1 3.67Å; W180-Y196 HydrophobicContact CE3-CE2 4.07Å; W180-Y196 HydrophobicContact CE3-CG 4.16Å; W180-Y196 AromaticContact CE3-CZ 3.78Å; W180-Y196 HydrophobicContact CH2-CD1 4.26Å; W180-Y196 HydrophobicContact CH2-CG 4.29Å; W180-Y196 AromaticContact CZ3-CD1 3.66Å; W180-Y196 HydrophobicContact CZ3-CD1 3.66Å; W180-Y196 AromaticContact CZ3-CD2 3.86Å; W180-Y196 HydrophobicContact CZ3-CD2 3.86Å; W180-Y196 AromaticContact CZ3-CE1 3.97Å; W180-Y196 HydrophobicContact CZ3-CE1 3.97Å; W180-Y196 HydrophobicContact CZ3-CE2 4.14Å; W180-Y196 AromaticContact CZ3-CG 3.6Å; W180-Y196 HydrophobicContact CZ3-CG 3.6Å; Y181-Y196 PolarHBondContact N-OH 3.47Å; L186-Y196 HydrophobicContact CD1-CD1 4.17Å; L186-Y196 HydrophobicContact CD2-CD1 3.93Å; L186-Y196 HydrophobicContact CD2-CE1 4.26Å; F193-Y196 PolarHBondContact O-N 3.28Å; F193-Y196 VanDerWaalsContact O-N 3.1Å; I194-Y196 PolarHBondContact O-N 2.88Å
197	E	90.7	Very high	87.8	Confident	108 Å²	108	44.4 Å²	44.4	51%	0.505	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-23	-178.3	-64.1	-171.2	-171.2	0	0	114.8	Y195 N317	Y195-E197 PolarHBondContact O-N 2.85Å; E197-N317 PolarHBondContact OE2-ND2 3.41Å
198	N	93.8	Very high	88.8	Confident	10 Å²	10	37.2 Å²	37.2	5%	0.053	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	101.1	-169.1	-48.9	-81	0	0	0	110.1	F135 M139 F193 I194 L200 N315	F135-N198 WeakPolarHBondContact CE2-OD1 3.49Å; M139-N198 HydrophobicContact CE-CB 3.75Å; F193-N198 CarbonylContact C-O 3.1Å; F193-N198 WeakPolarHBondContact CA-O 3.43Å; I194-N198 HydrophobicContact CB-CB 4.24Å; I194-N198 PolarHBondContact N-O 2.98Å; I194-N198 VanDerWaalsContact O-CB 3.3Å; I194-N198 WeakPolarHBondContact O-CB 3.41Å; I194-N198 PolarHBondContact O-N 3.27Å; I194-N198 PolarHBondContact O-ND2 2.87Å; N198-L200 PolarHBondContact O-N 3.48Å; N198-N315 WeakPolarHBondContact OD1-CB 3.28Å; N198-N315 PolarHBondContact OD1-ND2 3.45Å
199	M	92.1	Very high	90.2	Very high	48 Å²	48	35.5 Å²	35.5	24%	0.236	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.5	-179.1	-170	175.3	74.3	0	0	110.7	Q191 F193 L201 A313 Y314	Q191-M199 PolarHBondContact NE2-SD 3.19Å; F193-M199 HydrophobicContact CD1-CB 3.98Å; F193-M199 HydrophobicContact CD1-CG 4.45Å; F193-M199 HydrophobicContact CE1-CB 3.65Å; F193-M199 HydrophobicContact CE1-CG 3.85Å; F193-M199 HydrophobicContact CE1-SD 4.38Å; F193-M199 HydrophobicContact CZ-CB 4.39Å; F193-M199 HydrophobicContact CZ-CG 4.08Å; F193-M199 HydrophobicContact CZ-SD 4.38Å; M199-L201 HydrophobicContact CE-CD2 3.63Å; M199-A313 CarbonylContact O-C 3.59Å; M199-A313 VanDerWaalsContact O-CA 3.29Å; M199-A313 WeakPolarHBondContact O-CA 3.41Å; M199-Y314 PolarHBondContact N-O 3.35Å; M199-Y314 PolarHBondContact O-N 3.26Å
200	L	92.1	Very high	91.2	Very high	14 Å²	14	33 Å²	33	7%	0.073	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.2	170.5	-172.7	65.4	0	0	0	109.6	L175 Y176 S192 I194 N198 P204 F311	L175-L200 HydrophobicContact CD2-CD1 4.02Å; L175-L200 HydrophobicContact CD2-CD2 4.49Å; Y176-L200 HydrophobicContact CE1-CD2 4.39Å; S192-L200 PolarHBondContact O-N 2.94Å; I194-L200 HydrophobicContact CD1-CD1 4.42Å; N198-L200 PolarHBondContact O-N 3.48Å; L200-P204 HydrophobicContact CD2-CG 4.37Å; L200-F311 HydrophobicContact CD1-CB 4.5Å; L200-F311 HydrophobicContact CD1-CD2 4.04Å
201	L	90.6	Very high	92.2	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.115	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.5	179.8	-63.3	-176.1	0	0	0	110.9	M199 S312 F321 F434	M199-L201 HydrophobicContact CE-CD2 3.63Å; L201-S312 WeakPolarHBondContact CB-O 3.47Å; L201-S312 PolarHBondContact N-O 3.03Å; L201-F321 HydrophobicContact CD1-CD1 3.6Å; L201-F321 HydrophobicContact CD1-CE1 3.66Å; L201-F434 HydrophobicContact CB-CE2 4.4Å; L201-F434 HydrophobicContact CD1-CD2 4.31Å; L201-F434 HydrophobicContact CD1-CE2 3.6Å; L201-F434 HydrophobicContact CD1-CZ 4Å
202	G	90.1	Very high	92.8	Very high	13 Å²	13	25.8 Å²	25.8	13%	0.134	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.6	-136.5	-177	0	0	0	0	0	111.5	L430	G202-L430 WeakPolarHBondContact CA-O 3.43Å
203	V	92.8	Very high	93.1	Very high	7 Å²	7	30 Å²	30	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152	172.5	-69.6	0	0	0	0	111.3	D279 L280 R282 Y431	V203-D279 HydrophobicContact CG2-CB 3.99Å; V203-L280 VanDerWaalsContact CB-O 3.24Å; V203-L280 WeakPolarHBondContact CB-O 3.34Å; V203-L280 WeakPolarHBondContact CG1-O 3.39Å; V203-R282 HydrophobicContact CG1-CG 3.56Å; V203-Y431 WeakPolarHBondContact O-CD2 3.37Å
204	P	95.2	Very high	93	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	145.2	169.7	-17.5	29.9	0	0	0	112.2	L175 L200 L280 F311	L175-P204 HydrophobicContact CD1-CB 4.4Å; L175-P204 HydrophobicContact CD1-CG 3.83Å; L175-P204 HydrophobicContact CD2-CG 4.1Å; L200-P204 HydrophobicContact CD2-CG 4.37Å; P204-L280 HydrophobicContact CB-CB 4.38Å; P204-L280 HydrophobicContact CB-CD1 4.1Å; P204-L280 HydrophobicContact CB-CG 4.38Å; P204-L280 HydrophobicContact CG-CB 4.44Å; P204-L280 HydrophobicContact CG-CD1 4.4Å; P204-L280 PolarHBondContact O-N 2.97Å; P204-F311 HydrophobicContact CB-CB 3.98Å; P204-F311 HydrophobicContact CG-CB 4.32Å
205	R	94.9	Very high	92.9	Very high	20 Å²	20	33.6 Å²	33.6	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.9	174.1	173.9	166.9	-71.4	-176.1	-3.4	110.9	Y277 D279 I309 D310 Y431	R205-Y277 HydrophobicContact CG-CD2 4.39Å; R205-Y277 VanDerWaalsContact NH2-CE2 3.29Å; R205-D279 WeakPolarHBondContact CB-OD1 3.29Å; R205-D279 WeakPolarHBondContact CG-OD1 3.28Å; R205-D279 IonicContact CZ-OD1 2.7Å; R205-D279 IonicContact CZ-OD2 2.89Å; R205-D279 IonicContact NE-OD1 3.8Å; R205-D279 PolarHBondContact NE-OD1 3.2Å; R205-D279 IonicContact NE-OD2 2.81Å; R205-D279 IonicContact NH2-OD1 3.62Å; R205-D279 PolarHBondContact NH2-OD1 3.4Å; R205-D279 VanDerWaalsContact NH2-OD1 3.15Å; R205-D279 IonicContact NH2-OD2 2.63Å; R205-D279 PolarHBondContact NH2-OD2 2.99Å; R205-I309 WeakPolarHBondContact O-CA 3.47Å; R205-D310 PolarHBondContact N-O 3.03Å; R205-D310 PolarHBondContact O-N 3.37Å; R205-Y431 HydrophobicContact CB-CD1 4.37Å; R205-Y431 HydrophobicContact CB-CD2 3.41Å; R205-Y431 VanDerWaalsContact CB-CD2 3.41Å; R205-Y431 HydrophobicContact CB-CE2 3.69Å; R205-Y431 HydrophobicContact CB-CG 3.8Å
206	M	95.9	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.5	164	-70.4	-176.9	56.5	0	0	109.5	F163 Y277 Q278 L280 L291 W299 V307 F308 I309	F163-M206 HydrophobicContact CE1-CE 4.07Å; F163-M206 HydrophobicContact CZ-CE 3.83Å; M206-Y277 CarbonylContact O-C 3.51Å; M206-Y277 WeakPolarHBondContact O-CA 3.46Å; M206-Y277 WeakPolarHBondContact O-CB 3.42Å; M206-Q278 PolarHBondContact N-O 2.93Å; M206-Q278 PolarHBondContact O-N 3.26Å; M206-L280 HydrophobicContact SD-CD2 4.43Å; M206-L291 HydrophobicContact CE-CD2 4.19Å; M206-L291 HydrophobicContact SD-CD2 3.47Å; M206-L291 WeakPolarHBondContact SD-CD2 3.36Å; M206-W299 HydrophobicContact CB-CH2 4.16Å; M206-W299 HydrophobicContact CE-CH2 4.5Å; M206-W299 HydrophobicContact CE-CZ3 3.85Å; M206-V307 HydrophobicContact CE-CG1 4.35Å; M206-F308 CarbonylContact C-O 3.56Å; M206-F308 WeakPolarHBondContact CA-O 3.19Å; M206-I309 HydrophobicContact CG-CG1 4.22Å; M206-I309 HydrophobicContact CG-CG2 4.13Å
207	R	95.5	Very high	92.8	Very high	9 Å²	9	37.7 Å²	37.7	3%	0.034	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.9	178.6	-177.5	177.4	64.6	101.6	-0.8	110.7	S272 A274 F276 V307 F308	R207-S272 PolarHBondContact NH1-O 3.44Å; R207-A274 PolarHBondContact NH1-O 2.85Å; R207-F276 CarbonylContact C-O 3.56Å; R207-F276 VanDerWaalsContact CA-O 3.28Å; R207-F276 WeakPolarHBondContact CA-O 3.32Å; R207-F276 WeakPolarHBondContact CG-O 3.34Å; R207-V307 CarbonylContact O-C 3.31Å; R207-V307 WeakPolarHBondContact O-CA 3.37Å; R207-F308 HydrophobicContact CB-CB 4.34Å; R207-F308 HydrophobicContact CB-CD2 4.39Å; R207-F308 HydrophobicContact CG-CD2 4.49Å; R207-F308 PolarHBondContact N-O 3.02Å; R207-F308 VanDerWaalsContact NH2-CD2 3.32Å; R207-F308 PolarHBondContact O-N 3.11Å
208	Q	95.4	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.4	-174.8	-178.8	-165.8	17.8	0	0	110.4	K210 F276 W299 L300 T304 V306 V307	Q208-K210 HydrophobicContact CG-CG 4.05Å; Q208-F276 PolarHBondContact N-O 2.76Å; Q208-F276 PolarHBondContact O-N 2.96Å; Q208-W299 HydrophobicContact CB-CH2 3.59Å; Q208-W299 HydrophobicContact CB-CZ2 3.6Å; Q208-W299 HydrophobicContact CB-CZ3 4.21Å; Q208-W299 PolarHBondContact NE2-O 2.69Å; Q208-W299 PolarHBondContact OE1-O 2.76Å; Q208-L300 HydrophobicContact CG-CD2 4.25Å; Q208-T304 HydrophobicContact CG-CG2 3.8Å; Q208-T304 PolarHBondContact NE2-OG1 3.45Å; Q208-V306 WeakPolarHBondContact CA-O 3.41Å; Q208-V307 HydrophobicContact CG-CG2 4.32Å
209	I	95.4	Very high	92.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.9	169.8	-61.2	172.9	0	0	0	109.5	Y233 E238 Y271 R305 V306 F308	I209-Y233 HydrophobicContact CG2-CD2 3.93Å; I209-Y233 HydrophobicContact CG2-CE2 3.49Å; I209-Y233 VanDerWaalsContact CG2-CE2 3.49Å; I209-E238 HydrophobicContact CG2-CG 3.89Å; I209-Y271 HydrophobicContact CD1-CD1 4.37Å; I209-R305 PolarHBondContact O-N 2.76Å; I209-V306 HydrophobicContact CB-CG1 3.84Å; I209-V306 HydrophobicContact CD1-CG1 3.94Å; I209-V306 HydrophobicContact CG1-CG1 4.13Å; I209-V306 PolarHBondContact N-O 3.41Å; I209-V306 VanDerWaalsContact N-O 3.07Å; I209-F308 HydrophobicContact CD1-CE2 3.98Å; I209-F308 HydrophobicContact CG1-CE2 4.43Å
210	K	94.6	Very high	92.8	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	160.7	-175.9	-55.1	-174.2	69.5	174.3	0	110.8	Q208 E238 D239 F243 F276 D301 G303	Q208-K210 HydrophobicContact CG-CG 4.05Å; K210-E238 WeakPolarHBondContact O-CA 3.28Å; K210-D239 HydrophobicContact CB-CB 4.13Å; K210-D239 PolarHBondContact O-N 3.45Å; K210-F243 HydrophobicContact CD-CD1 4.05Å; K210-F243 HydrophobicContact CD-CE1 3.5Å; K210-F243 HydrophobicContact CD-CE2 4.28Å; K210-F243 HydrophobicContact CD-CZ 3.64Å; K210-F243 VanDerWaalsContact NZ-CZ 3.31Å; K210-F276 HydrophobicContact CB-CE2 4.17Å; K210-F276 HydrophobicContact CD-CD2 4.06Å; K210-F276 HydrophobicContact CD-CE2 3.96Å; K210-F276 HydrophobicContact CG-CD2 4.09Å; K210-F276 HydrophobicContact CG-CE2 4.05Å; K210-D301 VanDerWaalsContact CE-CG 3.43Å; K210-D301 WeakPolarHBondContact CE-OD1 3.43Å; K210-D301 WeakPolarHBondContact CE-OD2 3.31Å; K210-D301 VanDerWaalsContact NZ-CG 3.34Å; K210-D301 IonicContact NZ-OD1 2.65Å; K210-D301 IonicContact NZ-OD2 3.04Å; K210-D301 PolarHBondContact NZ-OD2 3.48Å; K210-G303 CarbonylContact C-O 3.57Å; K210-G303 WeakPolarHBondContact CA-O 3.31Å
211	I	95	Very high	92.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-114.8	141.2	176	-71.3	-178.9	0	0	0	110.1	S215 D231 Y233 K237 G303 R305	I211-S215 WeakPolarHBondContact CG2-OG 3.47Å; I211-D231 WeakPolarHBondContact CD1-O 3.42Å; I211-Y233 HydrophobicContact CG1-CD2 4.4Å; I211-K237 WeakPolarHBondContact CA-O 3.15Å; I211-K237 HydrophobicContact CG2-CB 4.33Å; I211-K237 WeakPolarHBondContact CG2-O 3.42Å; I211-G303 PolarHBondContact N-O 2.88Å; I211-R305 HydrophobicContact CD1-CG 3.52Å; I211-R305 HydrophobicContact CG1-CG 3.76Å
212	K	93.4	Very high	93.1	Very high	70 Å²	70	52.1 Å²	52.1	30%	0.304	26%	0.258	S	S	.	.			trans	-53.6	137	175.8	-58.8	-169.4	-168.6	-150	0	112.1	S215 K237 E238 D239 D240	K212-S215 WeakPolarHBondContact O-CB 3.32Å; K212-S215 PolarHBondContact O-N 2.93Å; K212-S215 PolarHBondContact O-OG 2.6Å; K212-K237 PolarHBondContact N-O 3.36Å; K212-E238 WeakPolarHBondContact CE-O 3.44Å; K212-D239 HydrophobicContact CG-CB 4.1Å; K212-D240 WeakPolarHBondContact CE-OD1 3.37Å; K212-D240 IonicContact NZ-OD1 2.65Å; K212-D240 PolarHBondContact NZ-OD1 3.06Å; K212-D240 IonicContact NZ-OD2 2.66Å; K212-D240 PolarHBondContact NZ-OD2 2.97Å
213	N	91.4	Very high	93	Very high	102 Å²	102	56 Å²	56	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	141.3	175.4	-169.2	11.5	0	0	0	111.4	S215 F230	N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 2.82Å; N213-F230 HydrophobicContact CB-CE1 4.06Å; N213-F230 HydrophobicContact CB-CZ 4.29Å
214	N	88.7	Confident	93	Very high	95 Å²	95	63.9 Å²	63.9	51%	0.508	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.2	-174.5	-70.3	-30	0	0	0	114.5	C216 G228 C229	N214-C216 VanDerWaalsContact C-N 3.33Å; N214-G228 VanDerWaalsContact OD1-CA 3.28Å; N214-G228 WeakPolarHBondContact OD1-CA 3.33Å; N214-C229 WeakPolarHBondContact CA-O 3.34Å; N214-C229 PolarHBondContact N-O 3.09Å; N214-C229 PolarHBondContact OD1-N 3.37Å
215	S	90.8	Very high	92.9	Very high	28 Å²	28	71.4 Å²	71.4	20%	0.196	35%	0.348	C	S	.	.			trans	-73.9	-17.9	175.3	40.4	0	0	0	0	114.7	I211 K212 N213 C229 D231	I211-S215 WeakPolarHBondContact CG2-OG 3.47Å; K212-S215 WeakPolarHBondContact O-CB 3.32Å; K212-S215 PolarHBondContact O-N 2.93Å; K212-S215 PolarHBondContact O-OG 2.6Å; N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 2.82Å; S215-C229 PolarHBondContact N-O 3.01Å; S215-D231 PolarHBondContact OG-N 2.92Å; S215-D231 VanDerWaalsContact OG-N 3.13Å
216	C	90.1	Very high	92.7	Very high	27 Å²	27	74.2 Å²	74.2	18%	0.182	36%	0.364	C	S	.	.	S	Bend	trans	-113.1	150.2	173.8	41.5	0	0	0	0	112.6	N214 C229 F230 D231	N214-C216 VanDerWaalsContact C-N 3.33Å; C216-C229 HydrophobicContact CB-CB 4.22Å; C216-C229 WeakPolarHBondContact CB-SG 3.19Å; C216-C229 WeakPolarHBondContact O-CB 3.4Å; C216-C229 WeakPolarHBondContact SG-CB 3.26Å; C216-C229 CovalentContact SG-SG 2.04Å; C216-C229 PolarHBondContact SG-SG 3.39Å; C216-F230 PolarHBondContact SG-N 3.26Å; C216-D231 HydrophobicContact CB-CB 3.88Å; C216-D231 WeakPolarHBondContact CB-OD2 3.35Å
217	K	90.3	Very high	92.2	Very high	210 Å²	210	79.7 Å²	79.7	91%	0.913	40%	0.402	S	S	*	.			trans	-88.6	111.3	177.8	-66.5	-176.5	177.5	-176.2	0	110.3
218	V	91.4	Very high	91.8	Very high	29 Å²	29	79.9 Å²	79.9	18%	0.176	41%	0.407	C	S	.	.			trans	-69.4	138.8	170.1	-176.2	0	0	0	0	109.6	F222 K223 I226 C229	V218-F222 HydrophobicContact CG1-CB 4.03Å; V218-K223 HydrophobicContact CB-CG 4.3Å; V218-K223 HydrophobicContact CG1-CG 4.19Å; V218-K223 WeakPolarHBondContact O-CE 3.38Å; V218-I226 HydrophobicContact CG1-CB 4.01Å; V218-I226 HydrophobicContact CG1-CD1 4.34Å; V218-I226 HydrophobicContact CG1-CG2 4.43Å; V218-I226 HydrophobicContact CG2-CB 4.34Å; V218-I226 HydrophobicContact CG2-CG2 3.94Å; V218-C229 HydrophobicContact CG2-CB 3.79Å
219	H	93.3	Very high	91.6	Very high	118 Å²	118	81 Å²	81	55%	0.546	42%	0.415	S	S	.	.			trans	-64.8	144.5	174.4	-165.8	-101.9	0	0	0	110.9	D221 F222 K223	H219-D221 VanDerWaalsContact C-N 3.3Å; H219-D221 IonicContact CE1-OD2 3.66Å; H219-D221 PolarHBondContact CE1-OD2 2.9Å; H219-D221 IonicContact ND1-OD2 2.7Å; H219-D221 PolarHBondContact ND1-OD2 2.59Å; H219-D221 PolarHBondContact O-N 3.17Å; H219-F222 HydrophobicContact CB-CD2 4.41Å; H219-F222 PolarHBondContact O-N 3.35Å; H219-K223 PolarHBondContact O-N 2.92Å
220	E	92.1	Very high	91.5	Very high	128 Å²	128	82.9 Å²	82.9	60%	0.598	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-49.1	-48.8	-172.4	-57.2	-58	136.2	0	0	112.7	F222 K223	E220-F222 PolarHBondContact O-N 3.07Å; E220-K223 PolarHBondContact O-N 2.72Å; E220-K223 VanDerWaalsContact O-N 3.14Å; E220-K223 WeakPolarHBondContact OE1-CE 3.41Å; E220-K223 IonicContact OE1-NZ 2.62Å; E220-K223 PolarHBondContact OE1-NZ 3.35Å; E220-K223 WeakPolarHBondContact OE2-CE 3.5Å; E220-K223 IonicContact OE2-NZ 2.92Å; E220-K223 PolarHBondContact OE2-NZ 2.89Å
221	D	94.6	Very high	91.5	Very high	124 Å²	124	84.6 Å²	84.6	66%	0.663	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-58.4	-20.7	-177.3	-44.6	-37.9	0	0	0	115	H219	H219-D221 VanDerWaalsContact C-N 3.3Å; H219-D221 IonicContact CE1-OD2 3.66Å; H219-D221 PolarHBondContact CE1-OD2 2.9Å; H219-D221 IonicContact ND1-OD2 2.7Å; H219-D221 PolarHBondContact ND1-OD2 2.59Å; H219-D221 PolarHBondContact O-N 3.17Å
222	F	93.3	Very high	91.4	Very high	106 Å²	106	88.9 Å²	88.9	47%	0.465	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-111.7	4.2	-177.1	-64.6	-71.3	0	0	0	113.7	V218 H219 E220 D224 E225 I226	V218-F222 HydrophobicContact CG1-CB 4.03Å; H219-F222 HydrophobicContact CB-CD2 4.41Å; H219-F222 PolarHBondContact O-N 3.35Å; E220-F222 PolarHBondContact O-N 3.07Å; F222-D224 VanDerWaalsContact C-N 3.3Å; F222-D224 PolarHBondContact O-N 3.29Å; F222-E225 PolarHBondContact O-N 3.15Å; F222-I226 HydrophobicContact CB-CD1 3.98Å; F222-I226 HydrophobicContact CB-CG1 4.36Å; F222-I226 PolarHBondContact O-N 2.83Å
223	K	89.1	Confident	91.5	Very high	96 Å²	96	86.4 Å²	86.4	42%	0.417	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.9	-177.9	-74.4	-176.9	-179.5	173.4	0	113.9	V218 H219 E220 E225	V218-K223 HydrophobicContact CB-CG 4.3Å; V218-K223 HydrophobicContact CG1-CG 4.19Å; V218-K223 WeakPolarHBondContact O-CE 3.38Å; H219-K223 PolarHBondContact O-N 2.92Å; E220-K223 PolarHBondContact O-N 2.72Å; E220-K223 VanDerWaalsContact O-N 3.14Å; E220-K223 WeakPolarHBondContact OE1-CE 3.41Å; E220-K223 IonicContact OE1-NZ 2.62Å; E220-K223 PolarHBondContact OE1-NZ 3.35Å; E220-K223 WeakPolarHBondContact OE2-CE 3.5Å; E220-K223 IonicContact OE2-NZ 2.92Å; E220-K223 PolarHBondContact OE2-NZ 2.89Å; K223-E225 VanDerWaalsContact C-N 3.29Å; K223-E225 PolarHBondContact O-N 2.97Å
224	D	92.2	Very high	91.5	Very high	171 Å²	171	85.2 Å²	85.2	91%	0.914	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.4	178.5	-68.2	-17	0	0	0	112.2	F222	F222-D224 VanDerWaalsContact C-N 3.3Å; F222-D224 PolarHBondContact O-N 3.29Å
225	E	93.3	Very high	91.6	Very high	158 Å²	158	88 Å²	88	74%	0.738	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-38.4	177.6	-61.3	-171.3	156.8	0	0	112.8	F222 K223	F222-E225 PolarHBondContact O-N 3.15Å; K223-E225 VanDerWaalsContact C-N 3.29Å; K223-E225 PolarHBondContact O-N 2.97Å
226	I	90.8	Very high	91.6	Very high	79 Å²	79	95.9 Å²	95.9	41%	0.405	48%	0.482	S	S	.	.			trans	-104.9	86.8	-171.6	-52.3	178.7	0	0	0	110.8	V218 F222 G228	V218-I226 HydrophobicContact CG1-CB 4.01Å; V218-I226 HydrophobicContact CG1-CD1 4.34Å; V218-I226 HydrophobicContact CG1-CG2 4.43Å; V218-I226 HydrophobicContact CG2-CB 4.34Å; V218-I226 HydrophobicContact CG2-CG2 3.94Å; F222-I226 HydrophobicContact CB-CD1 3.98Å; F222-I226 HydrophobicContact CB-CG1 4.36Å; F222-I226 PolarHBondContact O-N 2.83Å; I226-G228 VanDerWaalsContact C-N 3.32Å; I226-G228 PolarHBondContact O-N 3.2Å
227	S	84.9	Confident	91.7	Very high	115 Å²	115	97.7 Å²	97.7	80%	0.804	49%	0.487	S	S	*	.			trans	-74.9	-9.4	-179	59.5	0	0	0	0	116
228	G	87.9	Confident	91.9	Very high	14 Å²	14	88.1 Å²	88.1	14%	0.144	45%	0.445	C	S	.	.			trans	-154.9	118.4	-173.9	0	0	0	0	0	113.7	N214 I226 R302	N214-G228 VanDerWaalsContact OD1-CA 3.28Å; N214-G228 WeakPolarHBondContact OD1-CA 3.33Å; I226-G228 VanDerWaalsContact C-N 3.32Å; I226-G228 PolarHBondContact O-N 3.2Å; G228-R302 PolarHBondContact O-NH2 3.15Å
229	C	91.6	Very high	92	Very high	24 Å²	24	88.1 Å²	88.1	16%	0.162	44%	0.444	C	S	.	.			trans	-116.9	131.8	-175	-159.8	0	0	0	0	112.3	N214 S215 C216 V218	N214-C229 WeakPolarHBondContact CA-O 3.34Å; N214-C229 PolarHBondContact N-O 3.09Å; N214-C229 PolarHBondContact OD1-N 3.37Å; S215-C229 PolarHBondContact N-O 3.01Å; C216-C229 HydrophobicContact CB-CB 4.22Å; C216-C229 WeakPolarHBondContact CB-SG 3.19Å; C216-C229 WeakPolarHBondContact O-CB 3.4Å; C216-C229 WeakPolarHBondContact SG-CB 3.26Å; C216-C229 CovalentContact SG-SG 2.04Å; C216-C229 PolarHBondContact SG-SG 3.39Å; V218-C229 HydrophobicContact CG2-CB 3.79Å
230	F	94	Very high	91.9	Very high	39 Å²	39	86.3 Å²	86.3	17%	0.171	44%	0.438	C	S	.	.			trans	-124.5	119.3	175.2	-64	-83.2	0	0	0	111	N213 C216 R302 R305	N213-F230 HydrophobicContact CB-CE1 4.06Å; N213-F230 HydrophobicContact CB-CZ 4.29Å; C216-F230 PolarHBondContact SG-N 3.26Å; F230-R302 HydrophobicContact CD2-CB 4.01Å; F230-R302 HydrophobicContact CE2-CB 3.97Å; F230-R305 VanDerWaalsContact CB-NH2 3.27Å; F230-R305 PolarHBondContact O-NH2 2.97Å
231	D	93.2	Very high	91.8	Very high	43 Å²	43	85.6 Å²	85.6	23%	0.23	44%	0.438	C	S	.	.			trans	-78.7	-174.5	-171.7	-148.4	-51.6	0	0	0	113.3	I211 S215 C216 K237 R305	I211-D231 WeakPolarHBondContact CD1-O 3.42Å; S215-D231 PolarHBondContact OG-N 2.92Å; S215-D231 VanDerWaalsContact OG-N 3.13Å; C216-D231 HydrophobicContact CB-CB 3.88Å; C216-D231 WeakPolarHBondContact CB-OD2 3.35Å; D231-K237 HydrophobicContact CB-CD 4.05Å; D231-K237 IonicContact OD1-NZ 2.99Å; D231-K237 PolarHBondContact OD1-NZ 3.04Å; D231-K237 IonicContact OD2-NZ 2.65Å; D231-K237 PolarHBondContact OD2-NZ 2.91Å; D231-R305 VanDerWaalsContact O-CZ 3.31Å; D231-R305 PolarHBondContact O-NE 3.11Å; D231-R305 PolarHBondContact O-NH2 3.33Å
232	V	93.6	Very high	91.6	Very high	90 Å²	90	82.5 Å²	82.5	55%	0.545	43%	0.426	S	S	.	.			trans	-71.8	148.9	164.5	-178.7	0	0	0	0	109.8	N234 A332	V232-N234 PolarHBondContact O-N 2.83Å; V232-A332 HydrophobicContact CG2-CB 3.94Å
233	Y	94.8	Very high	91.5	Very high	18 Å²	18	79.2 Å²	79.2	7%	0.071	41%	0.412	C	S	.	.			trans	-60.5	135.4	-178.6	177.2	-98.2	0	0	0	113	I209 I211 E238 T269 T270 Y271 S272	I209-Y233 HydrophobicContact CG2-CD2 3.93Å; I209-Y233 HydrophobicContact CG2-CE2 3.49Å; I209-Y233 VanDerWaalsContact CG2-CE2 3.49Å; I211-Y233 HydrophobicContact CG1-CD2 4.4Å; Y233-E238 HydrophobicContact CE2-CB 4.08Å; Y233-E238 HydrophobicContact CE2-CG 4.18Å; Y233-E238 WeakPolarHBondContact CE2-OE2 3.46Å; Y233-E238 PolarHBondContact OH-OE2 3.39Å; Y233-T269 HydrophobicContact CD1-CG2 3.91Å; Y233-T270 VanDerWaalsContact CE1-O 3.3Å; Y233-T270 WeakPolarHBondContact CE1-O 3.07Å; Y233-Y271 AromaticContact CD1-CD1 3.73Å; Y233-Y271 HydrophobicContact CD1-CD1 3.73Å; Y233-Y271 HydrophobicContact CD1-CE1 4.1Å; Y233-Y271 HydrophobicContact CD2-CD1 4.4Å; Y233-Y271 AromaticContact CE1-CD1 3.98Å; Y233-Y271 HydrophobicContact CE1-CD1 3.98Å; Y233-Y271 AromaticContact CG-CD1 3.96Å; Y233-Y271 HydrophobicContact CG-CD1 3.96Å; Y233-Y271 HydrophobicContact CG-CE1 4.03Å; Y233-S272 WeakPolarHBondContact OH-CB 3.29Å; Y233-S272 PolarHBondContact OH-N 2.74Å
234	N	92.2	Very high	91.4	Very high	77 Å²	77	77.2 Å²	77.2	41%	0.412	42%	0.419	S	S	.	.			trans	-154.5	137.3	172.7	-171.9	-75.8	0	0	0	106.6	V232 K236 K237 E238	V232-N234 PolarHBondContact O-N 2.83Å; N234-K236 PolarHBondContact O-N 3.39Å; N234-K236 WeakPolarHBondContact OD1-CB 3.5Å; N234-K236 PolarHBondContact OD1-N 2.97Å; N234-K237 HydrophobicContact CB-CB 4.4Å; N234-K237 HydrophobicContact CB-CD 4.27Å; N234-K237 HydrophobicContact CB-CG 4.24Å; N234-K237 CarbonylContact O-C 3.59Å; N234-K237 WeakPolarHBondContact O-CA 3.41Å; N234-K237 PolarHBondContact O-N 3.36Å; N234-E238 PolarHBondContact O-N 2.84Å
235	E	90.6	Very high	90.9	Very high	154 Å²	154	72.5 Å²	72.5	72%	0.72	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-49.2	-35.6	178.5	-170.4	-173.9	179.2	0	0	112.9	K237 E238	E235-K237 VanDerWaalsContact C-N 3.26Å; E235-K237 PolarHBondContact O-N 2.8Å; E235-E238 PolarHBondContact O-N 2.82Å
236	K	91	Very high	90.4	Very high	193 Å²	193	69.8 Å²	69.8	84%	0.839	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-76	-7.7	178.3	-59.1	-176.5	179.7	-177.8	0	114.8	N234	N234-K236 PolarHBondContact O-N 3.39Å; N234-K236 WeakPolarHBondContact OD1-CB 3.5Å; N234-K236 PolarHBondContact OD1-N 2.97Å
237	K	92.1	Very high	90	Very high	65 Å²	65	72.6 Å²	72.6	28%	0.283	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-116	-2.3	179.6	-60.5	-178.1	-177	176.6	0	112.4	I211 K212 D231 N234 E235	I211-K237 WeakPolarHBondContact CA-O 3.15Å; I211-K237 HydrophobicContact CG2-CB 4.33Å; I211-K237 WeakPolarHBondContact CG2-O 3.42Å; K212-K237 PolarHBondContact N-O 3.36Å; D231-K237 HydrophobicContact CB-CD 4.05Å; D231-K237 IonicContact OD1-NZ 2.99Å; D231-K237 PolarHBondContact OD1-NZ 3.04Å; D231-K237 IonicContact OD2-NZ 2.65Å; D231-K237 PolarHBondContact OD2-NZ 2.91Å; N234-K237 HydrophobicContact CB-CB 4.4Å; N234-K237 HydrophobicContact CB-CD 4.27Å; N234-K237 HydrophobicContact CB-CG 4.24Å; N234-K237 CarbonylContact O-C 3.59Å; N234-K237 WeakPolarHBondContact O-CA 3.41Å; N234-K237 PolarHBondContact O-N 3.36Å; E235-K237 VanDerWaalsContact C-N 3.26Å; E235-K237 PolarHBondContact O-N 2.8Å
238	E	93.7	Very high	90	Very high	9 Å²	9	69.4 Å²	69.4	4%	0.042	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-59.2	139.6	175	-170.5	162.2	163.3	0	0	110.4	I209 K210 K212 Y233 N234 E235 Y253 S272	I209-E238 HydrophobicContact CG2-CG 3.89Å; K210-E238 WeakPolarHBondContact O-CA 3.28Å; K212-E238 WeakPolarHBondContact CE-O 3.44Å; Y233-E238 HydrophobicContact CE2-CB 4.08Å; Y233-E238 HydrophobicContact CE2-CG 4.18Å; Y233-E238 WeakPolarHBondContact CE2-OE2 3.46Å; Y233-E238 PolarHBondContact OH-OE2 3.39Å; N234-E238 PolarHBondContact O-N 2.84Å; E235-E238 PolarHBondContact O-N 2.82Å; E238-Y253 HydrophobicContact CG-CE2 4.31Å; E238-S272 PolarHBondContact OE1-OG 2.91Å; E238-S272 WeakPolarHBondContact OE2-CB 3.39Å; E238-S272 PolarHBondContact OE2-OG 3.46Å
239	D	93.6	Very high	90.1	Very high	29 Å²	29	70 Å²	70	16%	0.155	39%	0.386	C	S	.	.			trans	-83	118.9	-178	-149.8	-18.6	0	0	0	111.5	K210 K212 L241 Y253	K210-D239 HydrophobicContact CB-CB 4.13Å; K210-D239 PolarHBondContact O-N 3.45Å; K212-D239 HydrophobicContact CG-CB 4.1Å; D239-L241 PolarHBondContact OD1-N 3.07Å; D239-Y253 WeakPolarHBondContact O-CD2 3.34Å
240	D	91.6	Very high	90.1	Very high	80 Å²	80	68.9 Å²	68.9	43%	0.428	38%	0.378	S	S	.	.			trans	-103.2	5.4	-176.4	52.7	13.4	0	0	0	112.8	K212 Y253	K212-D240 WeakPolarHBondContact CE-OD1 3.37Å; K212-D240 IonicContact NZ-OD1 2.65Å; K212-D240 PolarHBondContact NZ-OD1 3.06Å; K212-D240 IonicContact NZ-OD2 2.66Å; K212-D240 PolarHBondContact NZ-OD2 2.97Å; D240-Y253 HydrophobicContact CB-CD1 3.99Å; D240-Y253 HydrophobicContact CB-CE1 4.06Å; D240-Y253 HydrophobicContact CB-CG 4.42Å
241	L	90.9	Very high	90	Very high	114 Å²	114	67.1 Å²	67.1	60%	0.597	37%	0.371	S	S	*	.	S	Bend	trans	-100.4	139	-179	-58.3	178.8	0	0	0	111.9	D239 F276	D239-L241 PolarHBondContact OD1-N 3.07Å; L241-F276 WeakPolarHBondContact O-CZ 3.44Å
242	S	90	Very high	90.1	Very high	58 Å²	58	66.7 Å²	66.7	41%	0.406	37%	0.37	S	S	.	.			trans	-63.3	142.5	170.2	-56.7	0	0	0	0	111.5	W251 C252	S242-W251 CarbonylContact C-O 3.54Å; S242-W251 WeakPolarHBondContact CA-O 3.11Å; S242-W251 VanDerWaalsContact CB-O 3.26Å; S242-W251 WeakPolarHBondContact CB-O 3.02Å; S242-C252 PolarHBondContact OG-SG 2.99Å
243	F	89.9	Confident	90.1	Very high	37 Å²	37	65.5 Å²	65.5	16%	0.162	36%	0.356	C	S	.	.			trans	-132.6	173.9	-176.9	77.3	-81.1	0	0	0	112.7	K210 L245 I246 W251 F276 W299	K210-F243 HydrophobicContact CD-CD1 4.05Å; K210-F243 HydrophobicContact CD-CE1 3.5Å; K210-F243 HydrophobicContact CD-CE2 4.28Å; K210-F243 HydrophobicContact CD-CZ 3.64Å; K210-F243 VanDerWaalsContact NZ-CZ 3.31Å; F243-L245 PolarHBondContact O-N 3.38Å; F243-I246 PolarHBondContact O-N 3.11Å; F243-W251 AromaticContact CD2-CE3 3.83Å; F243-W251 HydrophobicContact CD2-CE3 3.83Å; F243-W251 AromaticContact CD2-CZ3 3.81Å; F243-W251 HydrophobicContact CD2-CZ3 3.81Å; F243-W251 HydrophobicContact CE1-CE3 4.42Å; F243-W251 AromaticContact CE2-CE3 3.63Å; F243-W251 HydrophobicContact CE2-CE3 3.63Å; F243-W251 AromaticContact CE2-CZ3 3.4Å; F243-W251 HydrophobicContact CE2-CZ3 3.4Å; F243-W251 VanDerWaalsContact CE2-CZ3 3.4Å; F243-W251 HydrophobicContact CG-CE3 4.32Å; F243-W251 AromaticContact CZ-CE3 3.95Å; F243-W251 HydrophobicContact CZ-CE3 3.95Å; F243-W251 HydrophobicContact CZ-CZ3 4.02Å; F243-W251 PolarHBondContact N-O 3.46Å; F243-W251 WeakPolarHBondContact O-CB 3.17Å; F243-F276 AromaticContact CD1-CD1 3.9Å; F243-F276 HydrophobicContact CD1-CD1 3.9Å; F243-F276 AromaticContact CD1-CE1 3.59Å; F243-F276 HydrophobicContact CD1-CE1 3.59Å; F243-F276 HydrophobicContact CD1-CE2 4.43Å; F243-F276 HydrophobicContact CD1-CG 4.45Å; F243-F276 AromaticContact CD1-CZ 3.89Å; F243-F276 HydrophobicContact CD1-CZ 3.89Å; F243-F276 HydrophobicContact CE1-CB 4.47Å; F243-F276 AromaticContact CE1-CD1 3.6Å; F243-F276 HydrophobicContact CE1-CD1 3.6Å; F243-F276 HydrophobicContact CE1-CD2 4.08Å; F243-F276 AromaticContact CE1-CE1 3.76Å; F243-F276 HydrophobicContact CE1-CE1 3.76Å; F243-F276 HydrophobicContact CE1-CE2 4.25Å; F243-F276 AromaticContact CE1-CG 3.78Å; F243-F276 HydrophobicContact CE1-CG 3.78Å; F243-F276 HydrophobicContact CE1-CZ 4.1Å; F243-W299 AromaticContact CZ-CD1 3.69Å; F243-W299 HydrophobicContact CZ-CG 4.48Å
244	G	87.6	Confident	90	Very high	55 Å²	55	66.9 Å²	66.9	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-123.9	175.1	0	0	0	0	0	113.3	I246	G244-I246 VanDerWaalsContact C-N 3.35Å; G244-I246 PolarHBondContact O-N 3.27Å
245	L	82.4	Confident	90	Very high	72 Å²	72	66 Å²	66	38%	0.377	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.1	-175.3	-68.1	175.9	0	0	0	114.6	F243 N247 W251 N297	F243-L245 PolarHBondContact O-N 3.38Å; L245-N247 PolarHBondContact O-N 3.44Å; L245-W251 HydrophobicContact CB-CD2 4.27Å; L245-W251 HydrophobicContact CB-CG 4.26Å; L245-W251 HydrophobicContact CD1-CZ2 4.25Å; L245-W251 HydrophobicContact CG-CZ2 4.41Å; L245-N297 HydrophobicContact CD1-CB 4.33Å; L245-N297 HydrophobicContact CG-CB 4.46Å
246	I	81.4	Confident	90	Very high	101 Å²	101	62 Å²	62	52%	0.518	34%	0.342	S	S	.	.			trans	61.6	-16.6	-178.8	-52.4	175.3	0	0	0	114.9	F243 G244 C252	F243-I246 PolarHBondContact O-N 3.11Å; G244-I246 VanDerWaalsContact C-N 3.35Å; G244-I246 PolarHBondContact O-N 3.27Å; I246-C252 PolarHBondContact O-SG 2.99Å
247	N	82.1	Confident	90	Very high	137 Å²	137	61.6 Å²	61.6	73%	0.733	34%	0.34	S	S	*	.	S	Bend	trans	-83.1	115	177	-70.1	-37.8	0	0	0	111.9	L245 W251	L245-N247 PolarHBondContact O-N 3.44Å; N247-W251 VanDerWaalsContact O-CD1 3.28Å
248	G	85.3	Confident	89.9	Confident	49 Å²	49	63.2 Å²	63.2	51%	0.505	35%	0.352	S	S	.	.	S	Bend	trans	95.4	175.3	175.5	0	0	0	0	0	114.5	W251	G248-W251 PolarHBondContact O-N 3.01Å
249	S	89.8	Confident	89.6	Confident	26 Å²	26	63.8 Å²	63.8	18%	0.182	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.2	-171.3	59.3	0	0	0	0	114.1	W251 Y277	S249-W251 PolarHBondContact O-N 2.88Å; S249-Y277 CarbonylContact C-O 3.55Å; S249-Y277 WeakPolarHBondContact CB-O 3.25Å; S249-Y277 PolarHBondContact O-N 3Å; S249-Y277 VanDerWaalsContact O-O 3.12Å; S249-Y277 PolarHBondContact OG-O 3.07Å
250	A	91.9	Very high	89.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.2	175.3	0	0	0	0	0	112.9	Y277 Q278 L294 W299	A250-Y277 WeakPolarHBondContact CA-O 3.49Å; A250-Y277 PolarHBondContact N-O 3.5Å; A250-Q278 HydrophobicContact CB-CB 4.01Å; A250-Q278 HydrophobicContact CB-CG 4.45Å; A250-L294 HydrophobicContact CB-CD2 3.72Å; A250-W299 PolarHBondContact O-NE1 3.23Å
251	W	93.3	Very high	88.7	Confident	3 Å²	3	67.5 Å²	67.5	1%	0.011	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-7.2	-167.9	-59.3	108	0	0	0	113.2	S242 F243 L245 N247 G248 S249 L294 N297 W299	S242-W251 CarbonylContact C-O 3.54Å; S242-W251 WeakPolarHBondContact CA-O 3.11Å; S242-W251 VanDerWaalsContact CB-O 3.26Å; S242-W251 WeakPolarHBondContact CB-O 3.02Å; F243-W251 AromaticContact CD2-CE3 3.83Å; F243-W251 HydrophobicContact CD2-CE3 3.83Å; F243-W251 AromaticContact CD2-CZ3 3.81Å; F243-W251 HydrophobicContact CD2-CZ3 3.81Å; F243-W251 HydrophobicContact CE1-CE3 4.42Å; F243-W251 AromaticContact CE2-CE3 3.63Å; F243-W251 HydrophobicContact CE2-CE3 3.63Å; F243-W251 AromaticContact CE2-CZ3 3.4Å; F243-W251 HydrophobicContact CE2-CZ3 3.4Å; F243-W251 VanDerWaalsContact CE2-CZ3 3.4Å; F243-W251 HydrophobicContact CG-CE3 4.32Å; F243-W251 AromaticContact CZ-CE3 3.95Å; F243-W251 HydrophobicContact CZ-CE3 3.95Å; F243-W251 HydrophobicContact CZ-CZ3 4.02Å; F243-W251 PolarHBondContact N-O 3.46Å; F243-W251 WeakPolarHBondContact O-CB 3.17Å; L245-W251 HydrophobicContact CB-CD2 4.27Å; L245-W251 HydrophobicContact CB-CG 4.26Å; L245-W251 HydrophobicContact CD1-CZ2 4.25Å; L245-W251 HydrophobicContact CG-CZ2 4.41Å; N247-W251 VanDerWaalsContact O-CD1 3.28Å; G248-W251 PolarHBondContact O-N 3.01Å; S249-W251 PolarHBondContact O-N 2.88Å; W251-L294 HydrophobicContact CZ2-CD2 4.07Å; W251-N297 HydrophobicContact CH2-CB 3.51Å; W251-N297 WeakPolarHBondContact CH2-O 3.38Å; W251-N297 HydrophobicContact CZ2-CB 3.65Å; W251-W299 HydrophobicContact CH2-CB 3.93Å; W251-W299 HydrophobicContact CH2-CG 4.42Å; W251-W299 HydrophobicContact CZ3-CB 4.35Å; W251-W299 AromaticContact CZ3-CD1 3.93Å
252	C	93.6	Very high	88.6	Confident	33 Å²	33	63.9 Å²	63.9	22%	0.223	36%	0.356	C	S	.	.	S	Bend	trans	-109.7	139.1	178.7	-71.6	0	0	0	0	111.3	S242 I246 H254 F276	S242-C252 PolarHBondContact OG-SG 2.99Å; I246-C252 PolarHBondContact O-SG 2.99Å; C252-H254 PolarHBondContact O-CD2 3.19Å; C252-F276 VanDerWaalsContact O-CD1 3.29Å; C252-F276 WeakPolarHBondContact O-CD1 3.49Å
253	Y	93.3	Very high	88.7	Confident	65 Å²	65	64.4 Å²	64.4	26%	0.255	36%	0.36	S	S	.	.			trans	-76.2	132.2	175.6	178.4	-103	0	0	0	110.8	E238 D239 D240 T255 A274 F276	E238-Y253 HydrophobicContact CG-CE2 4.31Å; D239-Y253 WeakPolarHBondContact O-CD2 3.34Å; D240-Y253 HydrophobicContact CB-CD1 3.99Å; D240-Y253 HydrophobicContact CB-CE1 4.06Å; D240-Y253 HydrophobicContact CB-CG 4.42Å; Y253-T255 HydrophobicContact CE1-CG2 4.31Å; Y253-A274 HydrophobicContact CE2-CB 4.15Å; Y253-A274 WeakPolarHBondContact OH-CB 3.18Å; Y253-F276 HydrophobicContact CD2-CE2 4.19Å; Y253-F276 HydrophobicContact CD2-CZ 4.23Å
254	H	93.8	Very high	88.8	Confident	48 Å²	48	63.7 Å²	63.7	22%	0.222	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-121.4	138.8	176.7	-68.6	-85	0	0	0	110.4	C252 I259 G275 Y277	C252-H254 PolarHBondContact O-CD2 3.19Å; H254-I259 HydrophobicContact CB-CD1 3.96Å; H254-I259 HydrophobicContact CB-CG1 3.73Å; H254-G275 PolarHBondContact N-O 2.82Å; H254-G275 PolarHBondContact O-N 2.79Å; H254-Y277 HydrophobicContact CB-CD1 4.38Å; H254-Y277 HydrophobicContact CB-CE1 4.19Å; H254-Y277 AromaticContact CD2-CD1 3.84Å; H254-Y277 AromaticContact CD2-CE1 3.51Å; H254-Y277 AromaticContact CG-CE1 3.76Å; H254-Y277 AromaticContact NE2-CE1 3.91Å
255	T	92.8	Very high	89	Confident	57 Å²	57	71.1 Å²	71.1	35%	0.35	37%	0.367	S	S	.	.			trans	-78.5	159.9	-179.5	78.9	0	0	0	0	111.4	Y253 K257 D258 I259	Y253-T255 HydrophobicContact CE1-CG2 4.31Å; T255-K257 PolarHBondContact O-N 2.93Å; T255-K257 PolarHBondContact OG1-N 2.69Å; T255-D258 WeakPolarHBondContact CA-OD2 3.13Å; T255-D258 VanDerWaalsContact CB-OD2 3.26Å; T255-D258 WeakPolarHBondContact CB-OD2 3.08Å; T255-D258 WeakPolarHBondContact CG2-OD2 3.45Å; T255-D258 PolarHBondContact N-OD2 3.41Å; T255-D258 PolarHBondContact O-N 3.32Å; T255-D258 VanDerWaalsContact OG1-CG 3.27Å; T255-D258 PolarHBondContact OG1-OD2 3.08Å; T255-I259 PolarHBondContact O-N 3.09Å; T255-I259 VanDerWaalsContact O-N 3.1Å
256	E	90.8	Very high	89.4	Confident	72 Å²	72	68.1 Å²	68.1	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-51.3	-32.1	175.5	-177.5	174.9	-119.1	0	0	112.5	K260 G261 S262 S263 G273 A274	E256-K260 CarbonylContact O-C 3.43Å; E256-K260 WeakPolarHBondContact O-CA 3.45Å; E256-K260 PolarHBondContact O-N 3.05Å; E256-G261 WeakPolarHBondContact CG-O 3.48Å; E256-G261 PolarHBondContact O-N 2.82Å; E256-S262 WeakPolarHBondContact OE1-CA 3.33Å; E256-S263 PolarHBondContact OE1-N 3.34Å; E256-S263 PolarHBondContact OE1-OG 2.69Å; E256-G273 WeakPolarHBondContact OE1-CA 3.28Å; E256-G273 PolarHBondContact OE1-N 3.23Å; E256-G273 VanDerWaalsContact OE1-N 3.15Å; E256-A274 HydrophobicContact CB-CB 4.39Å
257	K	89.5	Confident	89.8	Confident	183 Å²	183	68.6 Å²	68.6	80%	0.796	36%	0.356	S	S	*	.	H	α-helix	trans	-73.6	-32.9	177.8	-67.9	173.4	-177.6	168	0	113.7	T255	T255-K257 PolarHBondContact O-N 2.93Å; T255-K257 PolarHBondContact OG1-N 2.69Å
258	D	89.8	Confident	90.2	Very high	100 Å²	100	66.6 Å²	66.6	54%	0.535	35%	0.345	S	S	.	.	H	α-helix	trans	-77.7	-44.7	-178.5	-50.6	-51.5	0	0	0	110.2	T255 K260	T255-D258 WeakPolarHBondContact CA-OD2 3.13Å; T255-D258 VanDerWaalsContact CB-OD2 3.26Å; T255-D258 WeakPolarHBondContact CB-OD2 3.08Å; T255-D258 WeakPolarHBondContact CG2-OD2 3.45Å; T255-D258 PolarHBondContact N-OD2 3.41Å; T255-D258 PolarHBondContact O-N 3.32Å; T255-D258 VanDerWaalsContact OG1-CG 3.27Å; T255-D258 PolarHBondContact OG1-OD2 3.08Å; D258-K260 PolarHBondContact O-N 3.2Å
259	I	87.3	Confident	90.5	Very high	20 Å²	20	66.4 Å²	66.4	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-66.3	-25.9	172.2	-57.4	-179.2	0	0	0	110.8	H254 T255 G261 Y277	H254-I259 HydrophobicContact CB-CD1 3.96Å; H254-I259 HydrophobicContact CB-CG1 3.73Å; T255-I259 PolarHBondContact O-N 3.09Å; T255-I259 VanDerWaalsContact O-N 3.1Å; I259-G261 PolarHBondContact O-N 2.68Å; I259-Y277 HydrophobicContact CD1-CD1 4.06Å; I259-Y277 HydrophobicContact CG1-CD1 4.06Å; I259-Y277 HydrophobicContact CG1-CE1 4.2Å
260	K	85.3	Confident	90.8	Very high	168 Å²	168	68.7 Å²	68.7	73%	0.73	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	22.7	-164.9	-53	168.6	-171.8	160.8	0	113.1	E256 D258	E256-K260 CarbonylContact O-C 3.43Å; E256-K260 WeakPolarHBondContact O-CA 3.45Å; E256-K260 PolarHBondContact O-N 3.05Å; D258-K260 PolarHBondContact O-N 3.2Å
261	G	82.1	Confident	90.9	Very high	19 Å²	19	69 Å²	69	20%	0.196	35%	0.349	C	S	.	.			trans	-69.4	179.9	-178.9	0	0	0	0	0	112.6	E256 I259	E256-G261 WeakPolarHBondContact CG-O 3.48Å; E256-G261 PolarHBondContact O-N 2.82Å; I259-G261 PolarHBondContact O-N 2.68Å
262	S	88.1	Confident	90.9	Very high	38 Å²	38	69.5 Å²	69.5	27%	0.266	35%	0.352	S	S	.	.			trans	-141.8	146.9	169.8	49.3	0	0	0	0	110.3	E256	E256-S262 WeakPolarHBondContact OE1-CA 3.33Å
263	S	92.2	Very high	90.8	Very high	70 Å²	70	67.9 Å²	67.9	49%	0.49	34%	0.342	S	S	.	.			trans	-57.4	134.6	-179.3	-63.4	0	0	0	0	112.5	E256 Y271	E256-S263 PolarHBondContact OE1-N 3.34Å; E256-S263 PolarHBondContact OE1-OG 2.69Å; S263-Y271 CarbonylContact C-O 3.57Å; S263-Y271 WeakPolarHBondContact CA-O 3.36Å; S263-Y271 WeakPolarHBondContact CB-O 3.12Å
264	Y	92.2	Very high	90.8	Very high	21 Å²	21	65 Å²	65	8%	0.082	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.3	-174	178.9	-99.6	0	0	0	111.2	G266 T270 Y271 F308 V327	Y264-G266 PolarHBondContact O-N 2.8Å; Y264-T270 CarbonylContact O-C 3.51Å; Y264-T270 WeakPolarHBondContact O-CA 3.41Å; Y264-T270 WeakPolarHBondContact O-CG2 3.37Å; Y264-Y271 PolarHBondContact N-O 2.76Å; Y264-Y271 PolarHBondContact O-N 3.29Å; Y264-F308 AromaticContact CD1-CE1 3.62Å; Y264-F308 HydrophobicContact CD1-CE1 3.62Å; Y264-F308 HydrophobicContact CD1-CZ 4.26Å; Y264-F308 HydrophobicContact CE1-CE1 4.24Å; Y264-F308 AromaticContact CG-CE1 3.85Å; Y264-F308 HydrophobicContact CG-CE1 3.85Å; Y264-V327 HydrophobicContact CE1-CG1 4.18Å; Y264-V327 HydrophobicContact CE1-CG2 3.93Å
265	W	92.6	Very high	90.7	Very high	212 Å²	212	62.7 Å²	62.7	80%	0.803	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	103.2	173.4	-176.1	29.6	0	0	0	109.7
266	G	91.3	Very high	90.8	Very high	9 Å²	9	60 Å²	60	9%	0.093	30%	0.304	C	S	.	.			trans	-88.2	-172.3	178.3	0	0	0	0	0	113.6	Y264 T269 E329	Y264-G266 PolarHBondContact O-N 2.8Å; G266-T269 WeakPolarHBondContact CA-O 3.25Å; G266-T269 PolarHBondContact N-O 2.82Å; G266-E329 WeakPolarHBondContact CA-OE1 3.47Å
267	L	89.6	Confident	91	Very high	110 Å²	110	58.7 Å²	58.7	58%	0.576	30%	0.296	S	S	*	.	S	Bend	trans	-77.5	-39.7	-177.9	-172.5	64.6	0	0	0	112	E329 V337	L267-E329 PolarHBondContact N-OE1 3.44Å; L267-E329 PolarHBondContact N-OE2 2.91Å; L267-V337 HydrophobicContact CD2-CG1 3.83Å
268	L	89.9	Confident	91.3	Very high	95 Å²	95	52 Å²	52	50%	0.497	27%	0.268	S	S	.	.	S	Bend	trans	-89.2	-38.1	178.9	-62.6	172.9	0	0	0	112.9	E329 P331	L268-E329 VanDerWaalsContact CB-OE2 3.25Å; L268-E329 WeakPolarHBondContact CB-OE2 3.44Å; L268-E329 HydrophobicContact CD1-CB 4.07Å; L268-E329 VanDerWaalsContact CG-OE2 3.25Å; L268-E329 WeakPolarHBondContact CG-OE2 3.47Å; L268-E329 PolarHBondContact N-OE2 3.08Å; L268-P331 HydrophobicContact CD1-CB 3.77Å; L268-P331 HydrophobicContact CD1-CG 4.24Å
269	T	92.3	Very high	91.5	Very high	45 Å²	45	48.8 Å²	48.8	28%	0.276	25%	0.251	S	S	.	.			trans	-161.6	171.1	-175.6	-168.1	0	0	0	0	112.3	Y233 G266 Y271	Y233-T269 HydrophobicContact CD1-CG2 3.91Å; G266-T269 WeakPolarHBondContact CA-O 3.25Å; G266-T269 PolarHBondContact N-O 2.82Å; T269-Y271 HydrophobicContact CG2-CD1 4.2Å; T269-Y271 HydrophobicContact CG2-CD2 4.16Å; T269-Y271 HydrophobicContact CG2-CE1 3.79Å; T269-Y271 HydrophobicContact CG2-CE2 3.72Å; T269-Y271 HydrophobicContact CG2-CG 4.4Å; T269-Y271 WeakPolarHBondContact O-CD2 3.5Å
270	T	94.4	Very high	91.9	Very high	74 Å²	74	48.1 Å²	48.1	45%	0.454	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	134	166.7	-54.7	0	0	0	0	109.6	Y233 Y264	Y233-T270 VanDerWaalsContact CE1-O 3.3Å; Y233-T270 WeakPolarHBondContact CE1-O 3.07Å; Y264-T270 CarbonylContact O-C 3.51Å; Y264-T270 WeakPolarHBondContact O-CA 3.41Å; Y264-T270 WeakPolarHBondContact O-CG2 3.37Å
271	Y	94.6	Very high	92.2	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149	-179.3	-65.1	-84.3	0	0	0	111.2	I209 Y233 S263 Y264 T269 R305 V306 F308 E329	I209-Y271 HydrophobicContact CD1-CD1 4.37Å; Y233-Y271 AromaticContact CD1-CD1 3.73Å; Y233-Y271 HydrophobicContact CD1-CD1 3.73Å; Y233-Y271 HydrophobicContact CD1-CE1 4.1Å; Y233-Y271 HydrophobicContact CD2-CD1 4.4Å; Y233-Y271 AromaticContact CE1-CD1 3.98Å; Y233-Y271 HydrophobicContact CE1-CD1 3.98Å; Y233-Y271 AromaticContact CG-CD1 3.96Å; Y233-Y271 HydrophobicContact CG-CD1 3.96Å; Y233-Y271 HydrophobicContact CG-CE1 4.03Å; S263-Y271 CarbonylContact C-O 3.57Å; S263-Y271 WeakPolarHBondContact CA-O 3.36Å; S263-Y271 WeakPolarHBondContact CB-O 3.12Å; Y264-Y271 PolarHBondContact N-O 2.76Å; Y264-Y271 PolarHBondContact O-N 3.29Å; T269-Y271 HydrophobicContact CG2-CD1 4.2Å; T269-Y271 HydrophobicContact CG2-CD2 4.16Å; T269-Y271 HydrophobicContact CG2-CE1 3.79Å; T269-Y271 HydrophobicContact CG2-CE2 3.72Å; T269-Y271 HydrophobicContact CG2-CG 4.4Å; T269-Y271 WeakPolarHBondContact O-CD2 3.5Å; Y271-R305 HydrophobicContact CE1-CB 4.25Å; Y271-R305 PolarHBondContact OH-O 3.36Å; Y271-V306 HydrophobicContact CD1-CB 4.1Å; Y271-V306 HydrophobicContact CD1-CG1 3.35Å; Y271-V306 HydrophobicContact CD2-CG1 4.31Å; Y271-V306 HydrophobicContact CE1-CB 3.73Å; Y271-V306 HydrophobicContact CE1-CG1 3.46Å; Y271-V306 VanDerWaalsContact CE1-CG1 3.46Å; Y271-V306 HydrophobicContact CE2-CB 4.25Å; Y271-V306 HydrophobicContact CE2-CG1 4.42Å; Y271-V306 HydrophobicContact CE2-CG2 4.44Å; Y271-V306 HydrophobicContact CG-CB 4.48Å; Y271-V306 HydrophobicContact CG-CG1 3.79Å; Y271-F308 HydrophobicContact CG-CZ 4.46Å; Y271-E329 HydrophobicContact CE2-CG 3.96Å
272	S	94.3	Very high	92.5	Very high	13 Å²	13	43.2 Å²	43.2	9%	0.091	22%	0.222	C	C	.	.			trans	-64	161	176	73.9	0	0	0	0	112.9	R207 Y233 E238 A274	R207-S272 PolarHBondContact NH1-O 3.44Å; Y233-S272 WeakPolarHBondContact OH-CB 3.29Å; Y233-S272 PolarHBondContact OH-N 2.74Å; E238-S272 PolarHBondContact OE1-OG 2.91Å; E238-S272 WeakPolarHBondContact OE2-CB 3.39Å; E238-S272 PolarHBondContact OE2-OG 3.46Å; S272-A274 PolarHBondContact O-N 3.16Å; S272-A274 PolarHBondContact OG-N 2.85Å
273	G	91.2	Very high	92.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-80.9	9.1	165.2	0	0	0	0	0	114.2	E256	E256-G273 WeakPolarHBondContact OE1-CA 3.28Å; E256-G273 PolarHBondContact OE1-N 3.23Å; E256-G273 VanDerWaalsContact OE1-N 3.15Å
274	A	92.3	Very high	92.6	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	22%	0.216	C	C	.	.			trans	-94.7	-167	-177.5	0	0	0	0	0	112.2	R207 Y253 E256 S272	R207-A274 PolarHBondContact NH1-O 2.85Å; Y253-A274 HydrophobicContact CE2-CB 4.15Å; Y253-A274 WeakPolarHBondContact OH-CB 3.18Å; E256-A274 HydrophobicContact CB-CB 4.39Å; S272-A274 PolarHBondContact O-N 3.16Å; S272-A274 PolarHBondContact OG-N 2.85Å
275	G	93.2	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	119.3	-158	169.3	0	0	0	0	0	114	H254	H254-G275 PolarHBondContact N-O 2.82Å; H254-G275 PolarHBondContact O-N 2.79Å
276	F	94.9	Very high	92.6	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141	179.2	-56	-90.5	0	0	0	108.9	R207 Q208 K210 L241 F243 C252 Y253	R207-F276 CarbonylContact C-O 3.56Å; R207-F276 VanDerWaalsContact CA-O 3.28Å; R207-F276 WeakPolarHBondContact CA-O 3.32Å; R207-F276 WeakPolarHBondContact CG-O 3.34Å; Q208-F276 PolarHBondContact N-O 2.76Å; Q208-F276 PolarHBondContact O-N 2.96Å; K210-F276 HydrophobicContact CB-CE2 4.17Å; K210-F276 HydrophobicContact CD-CD2 4.06Å; K210-F276 HydrophobicContact CD-CE2 3.96Å; K210-F276 HydrophobicContact CG-CD2 4.09Å; K210-F276 HydrophobicContact CG-CE2 4.05Å; L241-F276 WeakPolarHBondContact O-CZ 3.44Å; F243-F276 AromaticContact CD1-CD1 3.9Å; F243-F276 HydrophobicContact CD1-CD1 3.9Å; F243-F276 AromaticContact CD1-CE1 3.59Å; F243-F276 HydrophobicContact CD1-CE1 3.59Å; F243-F276 HydrophobicContact CD1-CE2 4.43Å; F243-F276 HydrophobicContact CD1-CG 4.45Å; F243-F276 AromaticContact CD1-CZ 3.89Å; F243-F276 HydrophobicContact CD1-CZ 3.89Å; F243-F276 HydrophobicContact CE1-CB 4.47Å; F243-F276 AromaticContact CE1-CD1 3.6Å; F243-F276 HydrophobicContact CE1-CD1 3.6Å; F243-F276 HydrophobicContact CE1-CD2 4.08Å; F243-F276 AromaticContact CE1-CE1 3.76Å; F243-F276 HydrophobicContact CE1-CE1 3.76Å; F243-F276 HydrophobicContact CE1-CE2 4.25Å; F243-F276 AromaticContact CE1-CG 3.78Å; F243-F276 HydrophobicContact CE1-CG 3.78Å; F243-F276 HydrophobicContact CE1-CZ 4.1Å; C252-F276 VanDerWaalsContact O-CD1 3.29Å; C252-F276 WeakPolarHBondContact O-CD1 3.49Å; Y253-F276 HydrophobicContact CD2-CE2 4.19Å; Y253-F276 HydrophobicContact CD2-CZ 4.23Å
277	Y	94.8	Very high	92.7	Very high	43 Å²	43	43.1 Å²	43.1	17%	0.169	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.6	-179.6	78.8	-89.6	0	0	0	114.1	R205 M206 S249 A250 H254 I259	R205-Y277 HydrophobicContact CG-CD2 4.39Å; R205-Y277 VanDerWaalsContact NH2-CE2 3.29Å; M206-Y277 CarbonylContact O-C 3.51Å; M206-Y277 WeakPolarHBondContact O-CA 3.46Å; M206-Y277 WeakPolarHBondContact O-CB 3.42Å; S249-Y277 CarbonylContact C-O 3.55Å; S249-Y277 WeakPolarHBondContact CB-O 3.25Å; S249-Y277 PolarHBondContact O-N 3Å; S249-Y277 VanDerWaalsContact O-O 3.12Å; S249-Y277 PolarHBondContact OG-O 3.07Å; A250-Y277 WeakPolarHBondContact CA-O 3.49Å; A250-Y277 PolarHBondContact N-O 3.5Å; H254-Y277 HydrophobicContact CB-CD1 4.38Å; H254-Y277 HydrophobicContact CB-CE1 4.19Å; H254-Y277 AromaticContact CD2-CD1 3.84Å; H254-Y277 AromaticContact CD2-CE1 3.51Å; H254-Y277 AromaticContact CG-CE1 3.76Å; H254-Y277 AromaticContact NE2-CE1 3.91Å; I259-Y277 HydrophobicContact CD1-CD1 4.06Å; I259-Y277 HydrophobicContact CG1-CD1 4.06Å; I259-Y277 HydrophobicContact CG1-CE1 4.2Å
278	Q	95.1	Very high	93	Very high	42 Å²	42	39.7 Å²	39.7	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.4	170.8	-173.6	52.5	48.9	0	0	109.5	M206 A250 I290 L294	M206-Q278 PolarHBondContact N-O 2.93Å; M206-Q278 PolarHBondContact O-N 3.26Å; A250-Q278 HydrophobicContact CB-CB 4.01Å; A250-Q278 HydrophobicContact CB-CG 4.45Å; Q278-I290 HydrophobicContact CG-CG2 3.62Å; Q278-L294 HydrophobicContact CB-CD1 4.13Å; Q278-L294 HydrophobicContact CG-CD1 4.16Å
279	D	94.9	Very high	93.3	Very high	33 Å²	33	40.3 Å²	40.3	18%	0.176	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.1	169.2	-67.2	-23	0	0	0	108.7	V203 R205	V203-D279 HydrophobicContact CG2-CB 3.99Å; R205-D279 WeakPolarHBondContact CB-OD1 3.29Å; R205-D279 WeakPolarHBondContact CG-OD1 3.28Å; R205-D279 IonicContact CZ-OD1 2.7Å; R205-D279 IonicContact CZ-OD2 2.89Å; R205-D279 IonicContact NE-OD1 3.8Å; R205-D279 PolarHBondContact NE-OD1 3.2Å; R205-D279 IonicContact NE-OD2 2.81Å; R205-D279 IonicContact NH2-OD1 3.62Å; R205-D279 PolarHBondContact NH2-OD1 3.4Å; R205-D279 VanDerWaalsContact NH2-OD1 3.15Å; R205-D279 IonicContact NH2-OD2 2.63Å; R205-D279 PolarHBondContact NH2-OD2 2.99Å
280	L	94.1	Very high	93.5	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.211	C	C	.	.			trans	-78.1	173.6	175.6	-61.1	-172.5	0	0	0	110.7	V203 P204 M206 I290 L291	V203-L280 VanDerWaalsContact CB-O 3.24Å; V203-L280 WeakPolarHBondContact CB-O 3.34Å; V203-L280 WeakPolarHBondContact CG1-O 3.39Å; P204-L280 HydrophobicContact CB-CB 4.38Å; P204-L280 HydrophobicContact CB-CD1 4.1Å; P204-L280 HydrophobicContact CB-CG 4.38Å; P204-L280 HydrophobicContact CG-CB 4.44Å; P204-L280 HydrophobicContact CG-CD1 4.4Å; P204-L280 PolarHBondContact O-N 2.97Å; M206-L280 HydrophobicContact SD-CD2 4.43Å; L280-I290 HydrophobicContact CD2-CG2 4.04Å; L280-L291 HydrophobicContact CD2-CD2 4.14Å; L280-L291 HydrophobicContact CD2-CG 4.36Å
281	S	92.5	Very high	93.5	Very high	28 Å²	28	36.4 Å²	36.4	20%	0.196	19%	0.189	C	C	.	.			trans	-85.1	175.2	175	-175.9	0	0	0	0	111.5	Y176 T283 D286 S287	Y176-S281 PolarHBondContact OH-O 3.37Å; S281-T283 PolarHBondContact OG-N 3.45Å; S281-D286 VanDerWaalsContact CB-CB 3.43Å; S281-D286 WeakPolarHBondContact OG-CB 3.45Å; S281-D286 PolarHBondContact OG-OD2 2.9Å; S281-S287 WeakPolarHBondContact CB-OG 3.33Å; S281-S287 PolarHBondContact N-OG 2.71Å; S281-S287 PolarHBondContact O-OG 3.2Å
282	R	88.5	Confident	93.6	Very high	56 Å²	56	37.8 Å²	37.8	21%	0.211	20%	0.202	C	C	.	.	S	Bend	trans	-82.5	-14.2	168	-66.2	173.8	60.3	162.9	6.2	112.8	Y176 N190 V203 D429	Y176-R282 WeakPolarHBondContact CE1-O 3.29Å; N190-R282 VanDerWaalsContact O-CZ 3.25Å; N190-R282 PolarHBondContact O-NE 2.79Å; N190-R282 PolarHBondContact O-NH2 3.43Å; V203-R282 HydrophobicContact CG1-CG 3.56Å; R282-D429 WeakPolarHBondContact CD-OD1 3.42Å; R282-D429 IonicContact CZ-OD1 2.71Å; R282-D429 IonicContact NE-OD1 3.69Å; R282-D429 IonicContact NH1-OD1 3.15Å; R282-D429 PolarHBondContact NH1-OD1 3.48Å
283	T	89.8	Confident	93.6	Very high	62 Å²	62	41.7 Å²	41.7	38%	0.38	22%	0.218	S	C	.	.	S	Bend	trans	-99.7	155.9	176.7	81.8	0	0	0	0	111.4	S281 D286 S287	S281-T283 PolarHBondContact OG-N 3.45Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.43Å; T283-D286 WeakPolarHBondContact OG1-CB 3.47Å; T283-D286 PolarHBondContact OG1-N 3.01Å; T283-D286 PolarHBondContact OG1-OD2 3.44Å; T283-S287 VanDerWaalsContact O-CB 3.31Å; T283-S287 WeakPolarHBondContact O-CB 3.5Å; T283-S287 PolarHBondContact O-N 2.96Å; T283-S287 PolarHBondContact O-OG 3.17Å
284	K	91.3	Very high	93.8	Very high	55 Å²	55	41.9 Å²	41.9	24%	0.239	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-38.5	171.8	-164.8	179.2	179.6	-174.8	0	111.6	L172 E173 Y176 A288	L172-K284 HydrophobicContact CB-CG 4.28Å; E173-K284 IonicContact OE1-NZ 2.69Å; E173-K284 PolarHBondContact OE1-NZ 3.35Å; Y176-K284 HydrophobicContact CD2-CB 4.31Å; Y176-K284 HydrophobicContact CD2-CG 4.29Å; Y176-K284 HydrophobicContact CG-CB 4.03Å; Y176-K284 HydrophobicContact CG-CG 4.42Å; K284-A288 WeakPolarHBondContact O-CB 3.14Å; K284-A288 PolarHBondContact O-N 3.01Å
285	E	92	Very high	93.9	Very high	155 Å²	155	45.6 Å²	45.6	72%	0.724	24%	0.237	S	C	*	.	H	α-helix	trans	-72.2	-48.9	-170.3	-65.3	177.6	-168.2	0	0	111.8	S287 A288 N289	E285-S287 VanDerWaalsContact C-N 3.3Å; E285-S287 PolarHBondContact O-N 3.41Å; E285-A288 PolarHBondContact O-N 3.32Å; E285-N289 VanDerWaalsContact O-CG 3.23Å; E285-N289 PolarHBondContact O-N 3.36Å; E285-N289 PolarHBondContact O-ND2 3.25Å
286	D	93.3	Very high	94	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-38.6	175.3	-52.5	-46.2	0	0	0	111.2	S281 T283 N289 I290	S281-D286 VanDerWaalsContact CB-CB 3.43Å; S281-D286 WeakPolarHBondContact OG-CB 3.45Å; S281-D286 PolarHBondContact OG-OD2 2.9Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.43Å; T283-D286 WeakPolarHBondContact OG1-CB 3.47Å; T283-D286 PolarHBondContact OG1-N 3.01Å; T283-D286 PolarHBondContact OG1-OD2 3.44Å; D286-N289 WeakPolarHBondContact O-CB 3.4Å; D286-N289 PolarHBondContact O-N 3.14Å; D286-I290 VanDerWaalsContact O-CG1 3.31Å; D286-I290 WeakPolarHBondContact O-CG1 3.43Å; D286-I290 PolarHBondContact O-N 2.97Å
287	S	94.4	Very high	94	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-37	178.4	-56.5	0	0	0	0	112	Y176 S281 T283 E285 I290 L291	Y176-S287 PolarHBondContact OH-OG 3.42Å; S281-S287 WeakPolarHBondContact CB-OG 3.33Å; S281-S287 PolarHBondContact N-OG 2.71Å; S281-S287 PolarHBondContact O-OG 3.2Å; T283-S287 VanDerWaalsContact O-CB 3.31Å; T283-S287 WeakPolarHBondContact O-CB 3.5Å; T283-S287 PolarHBondContact O-N 2.96Å; T283-S287 PolarHBondContact O-OG 3.17Å; E285-S287 VanDerWaalsContact C-N 3.3Å; E285-S287 PolarHBondContact O-N 3.41Å; S287-I290 PolarHBondContact O-N 2.98Å; S287-L291 WeakPolarHBondContact O-CG 3.36Å; S287-L291 PolarHBondContact O-N 3.38Å
288	A	95.8	Very high	93.9	Very high	38 Å²	38	60 Å²	60	31%	0.314	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-41.7	171.5	0	0	0	0	0	111.7	L172 K284 E285 L291 A292	L172-A288 HydrophobicContact CD1-CB 3.76Å; K284-A288 WeakPolarHBondContact O-CB 3.14Å; K284-A288 PolarHBondContact O-N 3.01Å; E285-A288 PolarHBondContact O-N 3.32Å; A288-L291 PolarHBondContact O-N 3.33Å; A288-A292 WeakPolarHBondContact O-CB 3.37Å; A288-A292 PolarHBondContact O-N 2.7Å
289	N	96.1	Very high	93.9	Very high	107 Å²	107	58 Å²	58	57%	0.572	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-42.7	175.9	-64.3	-29	0	0	0	111.8	E285 D286 A292 E293	E285-N289 VanDerWaalsContact O-CG 3.23Å; E285-N289 PolarHBondContact O-N 3.36Å; E285-N289 PolarHBondContact O-ND2 3.25Å; D286-N289 WeakPolarHBondContact O-CB 3.4Å; D286-N289 PolarHBondContact O-N 3.14Å; N289-A292 PolarHBondContact O-N 2.81Å; N289-E293 PolarHBondContact O-N 3.43Å
290	I	95.4	Very high	93.9	Very high	38 Å²	38	57 Å²	57	20%	0.195	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-46.5	174.8	-68.6	163.2	0	0	0	110.8	Q278 L280 D286 S287 A292 E293 L294	Q278-I290 HydrophobicContact CG-CG2 3.62Å; L280-I290 HydrophobicContact CD2-CG2 4.04Å; D286-I290 VanDerWaalsContact O-CG1 3.31Å; D286-I290 WeakPolarHBondContact O-CG1 3.43Å; D286-I290 PolarHBondContact O-N 2.97Å; S287-I290 PolarHBondContact O-N 2.98Å; I290-A292 VanDerWaalsContact C-N 3.31Å; I290-A292 PolarHBondContact O-N 3.48Å; I290-E293 PolarHBondContact O-N 3.28Å; I290-L294 HydrophobicContact CG2-CD1 4.29Å; I290-L294 WeakPolarHBondContact O-CG 3.21Å; I290-L294 PolarHBondContact O-N 3.3Å
291	L	96.1	Very high	93.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-32.6	178.1	-68.7	179.1	0	0	0	112.9	W164 A167 Q168 L172 M206 L280 S287 A288 M295	W164-L291 HydrophobicContact CZ3-CD2 4.21Å; A167-L291 HydrophobicContact CB-CD1 4.42Å; A167-L291 VanDerWaalsContact O-CD1 3.31Å; A167-L291 WeakPolarHBondContact O-CD1 3.18Å; Q168-L291 HydrophobicContact CG-CB 4.21Å; Q168-L291 HydrophobicContact CG-CD1 4.48Å; L172-L291 HydrophobicContact CD1-CD1 4.08Å; L172-L291 HydrophobicContact CD2-CD1 3.94Å; L172-L291 HydrophobicContact CG-CD1 3.97Å; M206-L291 HydrophobicContact CE-CD2 4.19Å; M206-L291 HydrophobicContact SD-CD2 3.47Å; M206-L291 WeakPolarHBondContact SD-CD2 3.36Å; L280-L291 HydrophobicContact CD2-CD2 4.14Å; L280-L291 HydrophobicContact CD2-CG 4.36Å; S287-L291 WeakPolarHBondContact O-CG 3.36Å; S287-L291 PolarHBondContact O-N 3.38Å; A288-L291 PolarHBondContact O-N 3.33Å; L291-M295 WeakPolarHBondContact O-CB 2.92Å; L291-M295 PolarHBondContact O-N 2.9Å; L291-M295 VanDerWaalsContact O-N 3.14Å
292	A	96	Very high	93.8	Very high	35 Å²	35	65.4 Å²	65.4	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-66.8	-47.2	172.4	0	0	0	0	0	111.3	A288 N289 I290 L294 M295 E296	A288-A292 WeakPolarHBondContact O-CB 3.37Å; A288-A292 PolarHBondContact O-N 2.7Å; N289-A292 PolarHBondContact O-N 2.81Å; I290-A292 VanDerWaalsContact C-N 3.31Å; I290-A292 PolarHBondContact O-N 3.48Å; A292-L294 PolarHBondContact O-N 2.96Å; A292-M295 PolarHBondContact O-N 2.93Å; A292-M295 VanDerWaalsContact O-N 3.15Å; A292-E296 WeakPolarHBondContact O-CB 3.03Å; A292-E296 WeakPolarHBondContact O-CG 3.39Å; A292-E296 PolarHBondContact O-N 2.99Å
293	E	94.6	Very high	94	Very high	95 Å²	95	62.8 Å²	62.8	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-45.1	177.6	-172.1	-173	147.9	0	0	111.9	N289 I290 M295 N297	N289-E293 PolarHBondContact O-N 3.43Å; I290-E293 PolarHBondContact O-N 3.28Å; E293-M295 VanDerWaalsContact C-N 3.32Å; E293-M295 PolarHBondContact O-N 3.39Å; E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 PolarHBondContact O-N 3.08Å; E293-N297 PolarHBondContact O-ND2 2.98Å
294	L	94.9	Very high	94.3	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-34.6	177.5	-64.9	179.2	0	0	0	112.6	W164 A250 W251 Q278 I290 A292 L298 W299	W164-L294 HydrophobicContact CH2-CB 3.69Å; W164-L294 HydrophobicContact CZ3-CB 4.36Å; A250-L294 HydrophobicContact CB-CD2 3.72Å; W251-L294 HydrophobicContact CZ2-CD2 4.07Å; Q278-L294 HydrophobicContact CB-CD1 4.13Å; Q278-L294 HydrophobicContact CG-CD1 4.16Å; I290-L294 HydrophobicContact CG2-CD1 4.29Å; I290-L294 WeakPolarHBondContact O-CG 3.21Å; I290-L294 PolarHBondContact O-N 3.3Å; A292-L294 PolarHBondContact O-N 2.96Å; L294-L298 PolarHBondContact O-N 3.49Å; L294-W299 HydrophobicContact CB-CB 3.89Å; L294-W299 HydrophobicContact CB-CG 4.27Å; L294-W299 HydrophobicContact CD1-CD2 4.28Å; L294-W299 HydrophobicContact CD1-CE3 4.29Å; L294-W299 HydrophobicContact CD2-CB 4.13Å; L294-W299 HydrophobicContact CD2-CD2 4.23Å; L294-W299 HydrophobicContact CD2-CG 3.83Å; L294-W299 HydrophobicContact CG-CG 4.46Å; L294-W299 WeakPolarHBondContact O-CB 3.32Å; L294-W299 PolarHBondContact O-N 3.21Å
295	M	94.8	Very high	94.5	Very high	82 Å²	82	57.9 Å²	57.9	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-71.7	-48.4	176.8	-175.8	-177.6	178.7	0	0	111.6	W164 Q168 L291 A292 E293 N297 L298	W164-M295 HydrophobicContact CB-CE 4.32Å; W164-M295 HydrophobicContact CB-SD 4.12Å; W164-M295 HydrophobicContact CD2-CB 4.03Å; W164-M295 HydrophobicContact CD2-CG 4.04Å; W164-M295 HydrophobicContact CD2-SD 4.48Å; W164-M295 HydrophobicContact CE3-CB 4.15Å; W164-M295 HydrophobicContact CG-CE 4.5Å; W164-M295 HydrophobicContact CG-CG 4.08Å; W164-M295 HydrophobicContact CG-SD 4.16Å; W164-M295 HydrophobicContact CH2-CB 4.33Å; W164-M295 HydrophobicContact CZ2-CB 4.19Å; W164-M295 HydrophobicContact CZ3-CB 4.3Å; Q168-M295 PolarHBondContact NE2-SD 3.25Å; L291-M295 WeakPolarHBondContact O-CB 2.92Å; L291-M295 PolarHBondContact O-N 2.9Å; L291-M295 VanDerWaalsContact O-N 3.14Å; A292-M295 PolarHBondContact O-N 2.93Å; A292-M295 VanDerWaalsContact O-N 3.15Å; E293-M295 VanDerWaalsContact C-N 3.32Å; E293-M295 PolarHBondContact O-N 3.39Å; M295-N297 VanDerWaalsContact C-N 3.31Å; M295-N297 PolarHBondContact O-N 3.31Å; M295-L298 PolarHBondContact O-N 2.86Å
296	E	94.8	Very high	94.8	Very high	158 Å²	158	50.5 Å²	50.5	74%	0.738	26%	0.256	S	S	*	.	H	α-helix	trans	-61.6	-37.3	179.6	-73.5	-176.2	179	0	0	112.4	A292 L298	A292-E296 WeakPolarHBondContact O-CB 3.03Å; A292-E296 WeakPolarHBondContact O-CG 3.39Å; A292-E296 PolarHBondContact O-N 2.99Å; E296-L298 VanDerWaalsContact C-N 3.32Å; E296-L298 PolarHBondContact O-N 2.83Å
297	N	94.1	Very high	94.9	Very high	61 Å²	61	46.9 Å²	46.9	33%	0.326	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	12.7	-179	-67.7	-84.5	0	0	0	114	L245 W251 E293 M295 W299	L245-N297 HydrophobicContact CD1-CB 4.33Å; L245-N297 HydrophobicContact CG-CB 4.46Å; W251-N297 HydrophobicContact CH2-CB 3.51Å; W251-N297 WeakPolarHBondContact CH2-O 3.38Å; W251-N297 HydrophobicContact CZ2-CB 3.65Å; E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 PolarHBondContact O-N 3.08Å; E293-N297 PolarHBondContact O-ND2 2.98Å; M295-N297 VanDerWaalsContact C-N 3.31Å; M295-N297 PolarHBondContact O-N 3.31Å; N297-W299 PolarHBondContact O-N 2.85Å
298	L	94.4	Very high	95.1	Very high	128 Å²	128	46.9 Å²	46.9	67%	0.67	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	49.5	177.4	-59.6	174.1	0	0	0	113.5	L294 M295 E296 L300	L294-L298 PolarHBondContact O-N 3.49Å; M295-L298 PolarHBondContact O-N 2.86Å; E296-L298 VanDerWaalsContact C-N 3.32Å; E296-L298 PolarHBondContact O-N 2.83Å; L298-L300 VanDerWaalsContact C-N 3.26Å; L298-L300 PolarHBondContact O-N 3.41Å
299	W	94.9	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.			trans	-56.1	-43.5	175.5	-171.7	65.4	0	0	0	111.5	W164 M206 Q208 F243 A250 W251 L294 N297 V307	W164-W299 HydrophobicContact CH2-CE3 4.29Å; M206-W299 HydrophobicContact CB-CH2 4.16Å; M206-W299 HydrophobicContact CE-CH2 4.5Å; M206-W299 HydrophobicContact CE-CZ3 3.85Å; Q208-W299 HydrophobicContact CB-CH2 3.59Å; Q208-W299 HydrophobicContact CB-CZ2 3.6Å; Q208-W299 HydrophobicContact CB-CZ3 4.21Å; Q208-W299 PolarHBondContact NE2-O 2.69Å; Q208-W299 PolarHBondContact OE1-O 2.76Å; F243-W299 AromaticContact CZ-CD1 3.69Å; F243-W299 HydrophobicContact CZ-CG 4.48Å; A250-W299 PolarHBondContact O-NE1 3.23Å; W251-W299 HydrophobicContact CH2-CB 3.93Å; W251-W299 HydrophobicContact CH2-CG 4.42Å; W251-W299 HydrophobicContact CZ3-CB 4.35Å; W251-W299 AromaticContact CZ3-CD1 3.93Å; L294-W299 HydrophobicContact CB-CB 3.89Å; L294-W299 HydrophobicContact CB-CG 4.27Å; L294-W299 HydrophobicContact CD1-CD2 4.28Å; L294-W299 HydrophobicContact CD1-CE3 4.29Å; L294-W299 HydrophobicContact CD2-CB 4.13Å; L294-W299 HydrophobicContact CD2-CD2 4.23Å; L294-W299 HydrophobicContact CD2-CG 3.83Å; L294-W299 HydrophobicContact CG-CG 4.46Å; L294-W299 WeakPolarHBondContact O-CB 3.32Å; L294-W299 PolarHBondContact O-N 3.21Å; N297-W299 PolarHBondContact O-N 2.85Å; W299-V307 HydrophobicContact CZ3-CG1 4.36Å
300	L	95.1	Very high	95.1	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.063	20%	0.197	C	C	.	.	S	Bend	trans	-86.8	129.4	170.2	-54.8	-171.2	0	0	0	111.1	F163 W164 Q208 L298 T304 V307	F163-L300 HydrophobicContact CD1-CD1 3.45Å; F163-L300 VanDerWaalsContact CD1-CD1 3.45Å; F163-L300 HydrophobicContact CE1-CD1 3.66Å; F163-L300 HydrophobicContact CG-CD1 4.25Å; W164-L300 HydrophobicContact CZ2-CB 4.4Å; W164-L300 HydrophobicContact CZ2-CD1 3.98Å; W164-L300 HydrophobicContact CZ2-CG 3.73Å; Q208-L300 HydrophobicContact CG-CD2 4.25Å; L298-L300 VanDerWaalsContact C-N 3.26Å; L298-L300 PolarHBondContact O-N 3.41Å; L300-T304 HydrophobicContact CD2-CG2 4.24Å; L300-V307 HydrophobicContact CD1-CG2 4.3Å; L300-V307 HydrophobicContact CD2-CG2 3.45Å; L300-V307 VanDerWaalsContact CD2-CG2 3.45Å
301	D	92.8	Very high	95	Very high	50 Å²	50	38.7 Å²	38.7	27%	0.267	19%	0.188	S	C	.	.			trans	-141.9	179.2	-177	71.8	5.6	0	0	0	113	M160 K210 G303 T304	M160-D301 WeakPolarHBondContact CE-O 3.4Å; K210-D301 VanDerWaalsContact CE-CG 3.43Å; K210-D301 WeakPolarHBondContact CE-OD1 3.43Å; K210-D301 WeakPolarHBondContact CE-OD2 3.31Å; K210-D301 VanDerWaalsContact NZ-CG 3.34Å; K210-D301 IonicContact NZ-OD1 2.65Å; K210-D301 IonicContact NZ-OD2 3.04Å; K210-D301 PolarHBondContact NZ-OD2 3.48Å; D301-G303 PolarHBondContact O-N 2.77Å; D301-G303 VanDerWaalsContact O-N 3.14Å; D301-G303 WeakPolarHBondContact OD1-CA 3.37Å; D301-G303 PolarHBondContact OD1-N 2.96Å; D301-T304 PolarHBondContact N-OG1 2.88Å; D301-T304 VanDerWaalsContact N-OG1 3.09Å; D301-T304 WeakPolarHBondContact O-CB 3.3Å; D301-T304 PolarHBondContact O-N 2.93Å; D301-T304 PolarHBondContact O-OG1 3.31Å; D301-T304 VanDerWaalsContact O-OG1 3.08Å; D301-T304 PolarHBondContact OD1-N 2.79Å; D301-T304 PolarHBondContact OD1-OG1 2.98Å
302	R	91.7	Very high	95	Very high	161 Å²	161	39 Å²	39	61%	0.608	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21	179.4	-44.9	-169	-43.8	173.7	14.2	114.4	G228 F230 R305	G228-R302 PolarHBondContact O-NH2 3.15Å; F230-R302 HydrophobicContact CD2-CB 4.01Å; F230-R302 HydrophobicContact CE2-CB 3.97Å; R302-R305 PolarHBondContact O-NH1 3.33Å
303	G	92.7	Very high	94.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.9	178	0	0	0	0	0	113.4	K210 I211 D301	K210-G303 CarbonylContact C-O 3.57Å; K210-G303 WeakPolarHBondContact CA-O 3.31Å; I211-G303 PolarHBondContact N-O 2.88Å; D301-G303 PolarHBondContact O-N 2.77Å; D301-G303 VanDerWaalsContact O-N 3.14Å; D301-G303 WeakPolarHBondContact OD1-CA 3.37Å; D301-G303 PolarHBondContact OD1-N 2.96Å
304	T	95.8	Very high	94.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.3	177	-56.2	0	0	0	0	111.3	Q208 L300 D301 V307 F330	Q208-T304 HydrophobicContact CG-CG2 3.8Å; Q208-T304 PolarHBondContact NE2-OG1 3.45Å; L300-T304 HydrophobicContact CD2-CG2 4.24Å; D301-T304 PolarHBondContact N-OG1 2.88Å; D301-T304 VanDerWaalsContact N-OG1 3.09Å; D301-T304 WeakPolarHBondContact O-CB 3.3Å; D301-T304 PolarHBondContact O-N 2.93Å; D301-T304 PolarHBondContact O-OG1 3.31Å; D301-T304 VanDerWaalsContact O-OG1 3.08Å; D301-T304 PolarHBondContact OD1-N 2.79Å; D301-T304 PolarHBondContact OD1-OG1 2.98Å; T304-V307 HydrophobicContact CG2-CG2 4.17Å; T304-F330 HydrophobicContact CG2-CD2 4.08Å
305	R	95.5	Very high	94.8	Very high	13 Å²	13	35 Å²	35	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-22.3	-178.6	-68.2	-66.6	175.5	-99.1	9	115.7	I209 I211 F230 D231 Y271 R302 F330	I209-R305 PolarHBondContact O-N 2.76Å; I211-R305 HydrophobicContact CD1-CG 3.52Å; I211-R305 HydrophobicContact CG1-CG 3.76Å; F230-R305 VanDerWaalsContact CB-NH2 3.27Å; F230-R305 PolarHBondContact O-NH2 2.97Å; D231-R305 VanDerWaalsContact O-CZ 3.31Å; D231-R305 PolarHBondContact O-NE 3.11Å; D231-R305 PolarHBondContact O-NH2 3.33Å; Y271-R305 HydrophobicContact CE1-CB 4.25Å; Y271-R305 PolarHBondContact OH-O 3.36Å; R302-R305 PolarHBondContact O-NH1 3.33Å; R305-F330 VanDerWaalsContact CD-O 3.24Å; R305-F330 WeakPolarHBondContact CD-O 3.38Å; R305-F330 PolarHBondContact O-N 3.03Å
306	V	96.9	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	144.9	170.5	58.8	0	0	0	0	109.9	Q208 I209 Y271 F308 V327 V328 E329	Q208-V306 WeakPolarHBondContact CA-O 3.41Å; I209-V306 HydrophobicContact CB-CG1 3.84Å; I209-V306 HydrophobicContact CD1-CG1 3.94Å; I209-V306 HydrophobicContact CG1-CG1 4.13Å; I209-V306 PolarHBondContact N-O 3.41Å; I209-V306 VanDerWaalsContact N-O 3.07Å; Y271-V306 HydrophobicContact CD1-CB 4.1Å; Y271-V306 HydrophobicContact CD1-CG1 3.35Å; Y271-V306 HydrophobicContact CD2-CG1 4.31Å; Y271-V306 HydrophobicContact CE1-CB 3.73Å; Y271-V306 HydrophobicContact CE1-CG1 3.46Å; Y271-V306 VanDerWaalsContact CE1-CG1 3.46Å; Y271-V306 HydrophobicContact CE2-CB 4.25Å; Y271-V306 HydrophobicContact CE2-CG1 4.42Å; Y271-V306 HydrophobicContact CE2-CG2 4.44Å; Y271-V306 HydrophobicContact CG-CB 4.48Å; Y271-V306 HydrophobicContact CG-CG1 3.79Å; V306-F308 HydrophobicContact CB-CE2 4.24Å; V306-F308 HydrophobicContact CB-CZ 4.35Å; V306-F308 HydrophobicContact CG1-CD2 4.35Å; V306-F308 HydrophobicContact CG1-CE2 3.45Å; V306-F308 VanDerWaalsContact CG1-CE2 3.45Å; V306-F308 HydrophobicContact CG1-CZ 3.77Å; V306-F308 HydrophobicContact CG2-CD1 4.46Å; V306-F308 HydrophobicContact CG2-CD2 4.22Å; V306-F308 HydrophobicContact CG2-CE1 4Å; V306-F308 HydrophobicContact CG2-CE2 3.75Å; V306-F308 HydrophobicContact CG2-CZ 3.61Å; V306-V327 HydrophobicContact CG2-CG1 3.4Å; V306-V327 VanDerWaalsContact CG2-CG1 3.4Å; V306-V328 CarbonylContact C-O 3.17Å; V306-V328 WeakPolarHBondContact CA-O 3.46Å; V306-E329 HydrophobicContact CG2-CG 4.14Å
307	V	97.1	Very high	94.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.3	165.5	-179.3	0	0	0	0	108.5	F163 M206 R207 Q208 W299 L300 T304 V327 V328 F330	F163-V307 HydrophobicContact CE2-CB 4.33Å; F163-V307 HydrophobicContact CE2-CG1 4.04Å; F163-V307 HydrophobicContact CZ-CB 4.32Å; F163-V307 HydrophobicContact CZ-CG1 3.67Å; M206-V307 HydrophobicContact CE-CG1 4.35Å; R207-V307 CarbonylContact O-C 3.31Å; R207-V307 WeakPolarHBondContact O-CA 3.37Å; Q208-V307 HydrophobicContact CG-CG2 4.32Å; W299-V307 HydrophobicContact CZ3-CG1 4.36Å; L300-V307 HydrophobicContact CD1-CG2 4.3Å; L300-V307 HydrophobicContact CD2-CG2 3.45Å; L300-V307 VanDerWaalsContact CD2-CG2 3.45Å; T304-V307 HydrophobicContact CG2-CG2 4.17Å; V307-V327 CarbonylContact O-C 3.43Å; V307-V327 WeakPolarHBondContact O-CA 3.18Å; V307-V328 PolarHBondContact N-O 3.09Å; V307-V328 PolarHBondContact O-N 3.37Å; V307-F330 HydrophobicContact CB-CE2 4.42Å; V307-F330 HydrophobicContact CG2-CE2 3.86Å
308	F	96.9	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.4	173.1	-55.4	-88.8	0	0	0	109.2	M206 R207 I209 Y264 Y271 V306 L326 V327	M206-F308 CarbonylContact C-O 3.56Å; M206-F308 WeakPolarHBondContact CA-O 3.19Å; R207-F308 HydrophobicContact CB-CB 4.34Å; R207-F308 HydrophobicContact CB-CD2 4.39Å; R207-F308 HydrophobicContact CG-CD2 4.49Å; R207-F308 PolarHBondContact N-O 3.02Å; R207-F308 VanDerWaalsContact NH2-CD2 3.32Å; R207-F308 PolarHBondContact O-N 3.11Å; I209-F308 HydrophobicContact CD1-CE2 3.98Å; I209-F308 HydrophobicContact CG1-CE2 4.43Å; Y264-F308 AromaticContact CD1-CE1 3.62Å; Y264-F308 HydrophobicContact CD1-CE1 3.62Å; Y264-F308 HydrophobicContact CD1-CZ 4.26Å; Y264-F308 HydrophobicContact CE1-CE1 4.24Å; Y264-F308 AromaticContact CG-CE1 3.85Å; Y264-F308 HydrophobicContact CG-CE1 3.85Å; Y271-F308 HydrophobicContact CG-CZ 4.46Å; V306-F308 HydrophobicContact CB-CE2 4.24Å; V306-F308 HydrophobicContact CB-CZ 4.35Å; V306-F308 HydrophobicContact CG1-CD2 4.35Å; V306-F308 HydrophobicContact CG1-CE2 3.45Å; V306-F308 VanDerWaalsContact CG1-CE2 3.45Å; V306-F308 HydrophobicContact CG1-CZ 3.77Å; V306-F308 HydrophobicContact CG2-CD1 4.46Å; V306-F308 HydrophobicContact CG2-CD2 4.22Å; V306-F308 HydrophobicContact CG2-CE1 4Å; V306-F308 HydrophobicContact CG2-CE2 3.75Å; V306-F308 HydrophobicContact CG2-CZ 3.61Å; F308-L326 CarbonylContact C-O 3.51Å; F308-L326 WeakPolarHBondContact CA-O 3.39Å; F308-V327 HydrophobicContact CD1-CB 4.47Å; F308-V327 HydrophobicContact CD1-CG1 3.98Å; F308-V327 HydrophobicContact CD1-CG2 3.86Å; F308-V327 HydrophobicContact CE1-CG1 3.84Å; F308-V327 HydrophobicContact CE1-CG2 4.19Å
309	I	96.7	Very high	94.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	103.7	167.8	-43.5	-174.6	0	0	0	106.6	F163 L171 R205 M206 L326	F163-I309 HydrophobicContact CE2-CD1 4.08Å; F163-I309 HydrophobicContact CZ-CD1 4.05Å; L171-I309 HydrophobicContact CD1-CG2 4.23Å; L171-I309 HydrophobicContact CD2-CD1 3.68Å; L171-I309 HydrophobicContact CD2-CG2 4.11Å; R205-I309 WeakPolarHBondContact O-CA 3.47Å; M206-I309 HydrophobicContact CG-CG1 4.22Å; M206-I309 HydrophobicContact CG-CG2 4.13Å; I309-L326 HydrophobicContact CB-CB 4.21Å; I309-L326 PolarHBondContact N-O 3.45Å; I309-L326 PolarHBondContact O-N 3.08Å
310	D	95.5	Very high	94	Very high	7 Å²	7	27 Å²	27	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.1	-173.4	-68.6	-24.8	0	0	0	109.8	R205 V324 R325 Y431	R205-D310 PolarHBondContact N-O 3.03Å; R205-D310 PolarHBondContact O-N 3.37Å; D310-V324 WeakPolarHBondContact CA-O 3.27Å; D310-R325 WeakPolarHBondContact OD1-CB 3.28Å; D310-R325 VanDerWaalsContact OD1-CG 3.31Å; D310-R325 WeakPolarHBondContact OD1-CG 3.44Å; D310-R325 IonicContact OD1-CZ 2.76Å; D310-R325 IonicContact OD1-NE 3.69Å; D310-R325 PolarHBondContact OD1-NE 3.27Å; D310-R325 IonicContact OD1-NH2 2.69Å; D310-R325 IonicContact OD2-CZ 3.23Å; D310-R325 IonicContact OD2-NE 3.21Å; D310-R325 PolarHBondContact OD2-NE 2.99Å; D310-R325 IonicContact OD2-NH2 3.94Å; D310-R325 PolarHBondContact OD2-NH2 3.21Å; D310-Y431 HydrophobicContact CB-CE2 4.12Å
311	F	94.9	Very high	93.9	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	168.9	172.7	62.7	-85.9	0	0	0	112.1	F143 L171 L175 I194 L200 P204 V324	F143-F311 HydrophobicContact CD1-CZ 4Å; F143-F311 HydrophobicContact CD2-CE2 4.41Å; F143-F311 AromaticContact CD2-CZ 3.87Å; F143-F311 HydrophobicContact CD2-CZ 3.87Å; F143-F311 HydrophobicContact CE1-CE2 4.42Å; F143-F311 AromaticContact CE1-CZ 3.74Å; F143-F311 HydrophobicContact CE1-CZ 3.74Å; F143-F311 AromaticContact CE2-CE2 3.78Å; F143-F311 HydrophobicContact CE2-CE2 3.78Å; F143-F311 AromaticContact CE2-CZ 3.59Å; F143-F311 HydrophobicContact CE2-CZ 3.59Å; F143-F311 HydrophobicContact CG-CZ 4.08Å; F143-F311 AromaticContact CZ-CE2 3.79Å; F143-F311 HydrophobicContact CZ-CE2 3.79Å; F143-F311 AromaticContact CZ-CZ 3.53Å; F143-F311 HydrophobicContact CZ-CZ 3.53Å; L171-F311 HydrophobicContact CD1-CE1 4.47Å; L175-F311 HydrophobicContact CD2-CD1 4.26Å; L175-F311 HydrophobicContact CD2-CD2 3.74Å; L175-F311 HydrophobicContact CD2-CE1 4.2Å; L175-F311 HydrophobicContact CD2-CE2 3.68Å; L175-F311 HydrophobicContact CD2-CG 4.04Å; L175-F311 HydrophobicContact CD2-CZ 3.91Å; I194-F311 HydrophobicContact CD1-CE2 4.44Å; L200-F311 HydrophobicContact CD1-CB 4.5Å; L200-F311 HydrophobicContact CD1-CD2 4.04Å; P204-F311 HydrophobicContact CB-CB 3.98Å; P204-F311 HydrophobicContact CG-CB 4.32Å; F311-V324 HydrophobicContact CD1-CB 4.17Å; F311-V324 HydrophobicContact CD1-CG1 4.25Å; F311-V324 HydrophobicContact CD2-CB 4.14Å; F311-V324 HydrophobicContact CD2-CG2 4.44Å; F311-V324 HydrophobicContact CE1-CB 3.82Å; F311-V324 HydrophobicContact CE1-CG1 3.52Å; F311-V324 HydrophobicContact CE2-CB 3.78Å; F311-V324 HydrophobicContact CE2-CG1 4.17Å; F311-V324 HydrophobicContact CE2-CG2 3.84Å; F311-V324 HydrophobicContact CG-CB 4.33Å; F311-V324 HydrophobicContact CZ-CB 3.61Å; F311-V324 HydrophobicContact CZ-CG1 3.48Å; F311-V324 VanDerWaalsContact CZ-CG1 3.48Å; F311-V324 HydrophobicContact CZ-CG2 3.96Å; F311-V324 PolarHBondContact N-O 3.37Å; F311-V324 PolarHBondContact O-N 3.09Å
312	S	94.5	Very high	94	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.035	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.4	179.2	-68.2	0	0	0	0	111.4	L201 C322	L201-S312 WeakPolarHBondContact CB-O 3.47Å; L201-S312 PolarHBondContact N-O 3.03Å; S312-C322 WeakPolarHBondContact CA-O 3.37Å
313	A	94.1	Very high	94.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.2	172.6	0	0	0	0	0	110.7	M139 I194 M199 F321 C322	M139-A313 HydrophobicContact CE-CB 4.32Å; I194-A313 HydrophobicContact CD1-CB 4.38Å; M199-A313 CarbonylContact O-C 3.59Å; M199-A313 VanDerWaalsContact O-CA 3.29Å; M199-A313 WeakPolarHBondContact O-CA 3.41Å; A313-F321 CarbonylContact O-C 3.59Å; A313-F321 WeakPolarHBondContact O-CA 3.49Å; A313-C322 PolarHBondContact N-O 2.92Å; A313-C322 PolarHBondContact O-N 3.05Å
314	Y	93.4	Very high	94.3	Very high	42 Å²	42	16.8 Å²	16.8	17%	0.165	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	176.9	174.4	-106	0	0	0	110.8	M199 A316 N319 M320 F321	M199-Y314 PolarHBondContact N-O 3.35Å; M199-Y314 PolarHBondContact O-N 3.26Å; Y314-A316 HydrophobicContact CD1-CB 4.48Å; Y314-A316 HydrophobicContact CE1-CB 3.93Å; Y314-N319 PolarHBondContact OH-OD1 3.04Å; Y314-M320 WeakPolarHBondContact CD2-O 3.46Å; Y314-F321 HydrophobicContact CD2-CD1 4.13Å; Y314-F321 AromaticContact CD2-CD2 3.75Å; Y314-F321 HydrophobicContact CD2-CD2 3.75Å; Y314-F321 AromaticContact CD2-CE1 3.97Å; Y314-F321 HydrophobicContact CD2-CE1 3.97Å; Y314-F321 AromaticContact CD2-CE2 3.54Å; Y314-F321 HydrophobicContact CD2-CE2 3.54Å; Y314-F321 HydrophobicContact CD2-CG 4.01Å; Y314-F321 AromaticContact CD2-CZ 3.66Å; Y314-F321 HydrophobicContact CD2-CZ 3.66Å; Y314-F321 HydrophobicContact CE2-CD2 4.09Å; Y314-F321 AromaticContact CE2-CE2 3.6Å; Y314-F321 HydrophobicContact CE2-CE2 3.6Å; Y314-F321 AromaticContact CE2-CZ 3.94Å; Y314-F321 HydrophobicContact CE2-CZ 3.94Å; Y314-F321 HydrophobicContact CG-CZ 4.5Å
315	N	94.6	Very high	94.3	Very high	9 Å²	9	17.4 Å²	17.4	5%	0.048	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.7	170.6	-173.3	-68.5	0	0	0	109.4	F135 N198 N317 I318 N319 M320	F135-N315 HydrophobicContact CE1-CB 4.06Å; F135-N315 HydrophobicContact CE2-CB 4.28Å; F135-N315 HydrophobicContact CZ-CB 3.8Å; N198-N315 WeakPolarHBondContact OD1-CB 3.28Å; N198-N315 PolarHBondContact OD1-ND2 3.45Å; N315-N317 WeakPolarHBondContact OD1-CA 3.28Å; N315-N317 WeakPolarHBondContact OD1-CB 3.41Å; N315-N317 PolarHBondContact OD1-N 3.46Å; N315-I318 HydrophobicContact CB-CD1 4.49Å; N315-I318 HydrophobicContact CB-CG1 3.98Å; N315-I318 PolarHBondContact OD1-N 2.96Å; N315-N319 WeakPolarHBondContact O-CA 3.44Å; N315-N319 PolarHBondContact O-N 3.03Å; N315-M320 PolarHBondContact N-O 3.3Å; N315-M320 PolarHBondContact O-N 3.03Å
316	A	91.3	Very high	94.4	Very high	66 Å²	66	16.8 Å²	16.8	55%	0.545	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.8	-179.9	0	0	0	0	0	113.3	Y314 I318	Y314-A316 HydrophobicContact CD1-CB 4.48Å; Y314-A316 HydrophobicContact CE1-CB 3.93Å; A316-I318 PolarHBondContact O-N 3.45Å
317	N	91.4	Very high	94.4	Very high	114 Å²	114	16.8 Å²	16.8	61%	0.61	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.7	-176.6	-64.4	-27.2	0	0	0	112.7	E197 N315	E197-N317 PolarHBondContact OE2-ND2 3.41Å; N315-N317 WeakPolarHBondContact OD1-CA 3.28Å; N315-N317 WeakPolarHBondContact OD1-CB 3.41Å; N315-N317 PolarHBondContact OD1-N 3.46Å
318	I	90.7	Very high	94.4	Very high	57 Å²	57	16.8 Å²	16.8	29%	0.292	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-0.8	177.7	69.4	178.7	0	0	0	114.4	F135 N315 A316 M320	F135-I318 HydrophobicContact CB-CD1 4.2Å; F135-I318 HydrophobicContact CD1-CD1 3.96Å; F135-I318 HydrophobicContact CG-CD1 4.23Å; N315-I318 HydrophobicContact CB-CD1 4.49Å; N315-I318 HydrophobicContact CB-CG1 3.98Å; N315-I318 PolarHBondContact OD1-N 2.96Å; A316-I318 PolarHBondContact O-N 3.45Å; I318-M320 HydrophobicContact CB-CE 4.31Å; I318-M320 HydrophobicContact CD1-CB 4.14Å; I318-M320 HydrophobicContact CD1-CE 4.04Å; I318-M320 HydrophobicContact CD1-CG 4.04Å; I318-M320 HydrophobicContact CD1-SD 3.62Å; I318-M320 HydrophobicContact CG1-CB 3.97Å; I318-M320 HydrophobicContact CG1-CE 4.27Å; I318-M320 HydrophobicContact CG1-CG 3.86Å; I318-M320 HydrophobicContact CG1-SD 4.09Å
319	N	91.4	Very high	94.4	Very high	15 Å²	15	16.8 Å²	16.8	8%	0.08	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	64.4	-172.6	173.7	25.6	0	0	0	111.7	Y314 N315 K346 I348 I351	Y314-N319 PolarHBondContact OH-OD1 3.04Å; N315-N319 WeakPolarHBondContact O-CA 3.44Å; N315-N319 PolarHBondContact O-N 3.03Å; N319-K346 WeakPolarHBondContact ND2-CE 2.97Å; N319-I348 PolarHBondContact ND2-O 3.29Å; N319-I351 VanDerWaalsContact ND2-CD1 3.32Å; N319-I351 WeakPolarHBondContact ND2-CD1 3.45Å
320	M	91.6	Very high	94.4	Very high	9 Å²	9	16.9 Å²	16.9	4%	0.044	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.4	175	-65.1	-175.8	-158.7	0	0	111.4	S132 F135 Y314 N315 I318	S132-M320 WeakPolarHBondContact OG-CE 3.27Å; S132-M320 PolarHBondContact OG-SD 3.16Å; F135-M320 HydrophobicContact CD1-CB 4.05Å; F135-M320 HydrophobicContact CE1-CB 3.92Å; Y314-M320 WeakPolarHBondContact CD2-O 3.46Å; N315-M320 PolarHBondContact N-O 3.3Å; N315-M320 PolarHBondContact O-N 3.03Å; I318-M320 HydrophobicContact CB-CE 4.31Å; I318-M320 HydrophobicContact CD1-CB 4.14Å; I318-M320 HydrophobicContact CD1-CE 4.04Å; I318-M320 HydrophobicContact CD1-CG 4.04Å; I318-M320 HydrophobicContact CD1-SD 3.62Å; I318-M320 HydrophobicContact CG1-CB 3.97Å; I318-M320 HydrophobicContact CG1-CE 4.27Å; I318-M320 HydrophobicContact CG1-CG 3.86Å; I318-M320 HydrophobicContact CG1-SD 4.09Å
321	F	92.8	Very high	94.4	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.022	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.4	171.7	-63.7	-109.4	0	0	0	107.7	L201 A313 Y314 T344 V345 L347 I348 F434	L201-F321 HydrophobicContact CD1-CD1 3.6Å; L201-F321 HydrophobicContact CD1-CE1 3.66Å; A313-F321 CarbonylContact O-C 3.59Å; A313-F321 WeakPolarHBondContact O-CA 3.49Å; Y314-F321 HydrophobicContact CD2-CD1 4.13Å; Y314-F321 AromaticContact CD2-CD2 3.75Å; Y314-F321 HydrophobicContact CD2-CD2 3.75Å; Y314-F321 AromaticContact CD2-CE1 3.97Å; Y314-F321 HydrophobicContact CD2-CE1 3.97Å; Y314-F321 AromaticContact CD2-CE2 3.54Å; Y314-F321 HydrophobicContact CD2-CE2 3.54Å; Y314-F321 HydrophobicContact CD2-CG 4.01Å; Y314-F321 AromaticContact CD2-CZ 3.66Å; Y314-F321 HydrophobicContact CD2-CZ 3.66Å; Y314-F321 HydrophobicContact CE2-CD2 4.09Å; Y314-F321 AromaticContact CE2-CE2 3.6Å; Y314-F321 HydrophobicContact CE2-CE2 3.6Å; Y314-F321 AromaticContact CE2-CZ 3.94Å; Y314-F321 HydrophobicContact CE2-CZ 3.94Å; Y314-F321 HydrophobicContact CG-CZ 4.5Å; F321-T344 CarbonylContact O-C 3.57Å; F321-T344 VanDerWaalsContact O-CA 3.26Å; F321-T344 WeakPolarHBondContact O-CA 3.19Å; F321-V345 HydrophobicContact CB-CG2 4.24Å; F321-V345 PolarHBondContact N-O 3.47Å; F321-V345 PolarHBondContact O-N 3.34Å; F321-L347 HydrophobicContact CB-CD1 4.16Å; F321-L347 HydrophobicContact CB-CG 4.36Å; F321-L347 HydrophobicContact CD1-CD1 3.9Å; F321-L347 HydrophobicContact CD2-CB 3.76Å; F321-L347 HydrophobicContact CD2-CD1 3.95Å; F321-L347 HydrophobicContact CD2-CG 3.85Å; F321-L347 HydrophobicContact CE1-CD1 4.29Å; F321-L347 HydrophobicContact CE2-CB 3.84Å; F321-L347 HydrophobicContact CE2-CD1 4.37Å; F321-L347 HydrophobicContact CE2-CG 4.37Å; F321-L347 HydrophobicContact CG-CB 4.42Å; F321-L347 HydrophobicContact CG-CD1 3.73Å; F321-L347 HydrophobicContact CG-CG 4.05Å; F321-L347 HydrophobicContact CZ-CB 4.49Å; F321-I348 HydrophobicContact CE2-CD1 3.99Å; F321-I348 HydrophobicContact CE2-CG1 3.95Å; F321-I348 HydrophobicContact CZ-CD1 3.88Å; F321-I348 HydrophobicContact CZ-CG1 4.14Å; F321-F434 HydrophobicContact CD1-CE1 4.29Å; F321-F434 HydrophobicContact CD1-CZ 4.38Å; F321-F434 HydrophobicContact CE1-CE1 4.12Å; F321-F434 HydrophobicContact CE1-CZ 4.08Å
322	C	95	Very high	94.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	111.2	167.4	-175.4	0	0	0	0	107.9	F135 S312 A313 I342 R343 T344	F135-C322 HydrophobicContact CD1-CB 4.38Å; F135-C322 HydrophobicContact CE1-CB 3.65Å; F135-C322 HydrophobicContact CE2-CB 4.11Å; F135-C322 HydrophobicContact CZ-CB 3.49Å; F135-C322 VanDerWaalsContact CZ-CB 3.49Å; S312-C322 WeakPolarHBondContact CA-O 3.37Å; A313-C322 PolarHBondContact N-O 2.92Å; A313-C322 PolarHBondContact O-N 3.05Å; C322-I342 VanDerWaalsContact SG-CG2 3.55Å; C322-R343 WeakPolarHBondContact CA-O 3.41Å; C322-T344 HydrophobicContact CB-CG2 4.17Å
323	V	95.3	Very high	94.2	Very high	4 Å²	4	26 Å²	26	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.2	171.4	-173.6	0	0	0	0	107.8	I342 R343 F434 E435 A438	V323-I342 WeakPolarHBondContact O-CA 3.4Å; V323-R343 PolarHBondContact N-O 3.25Å; V323-R343 PolarHBondContact O-N 3.12Å; V323-F434 HydrophobicContact CG2-CB 3.69Å; V323-E435 HydrophobicContact CG1-CB 3.83Å; V323-A438 HydrophobicContact CB-CB 4.13Å; V323-A438 HydrophobicContact CG2-CB 3.75Å
324	V	95.8	Very high	94	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.5	-179.5	178.6	0	0	0	0	108.4	D310 F311 L326 I342	D310-V324 WeakPolarHBondContact CA-O 3.27Å; F311-V324 HydrophobicContact CD1-CB 4.17Å; F311-V324 HydrophobicContact CD1-CG1 4.25Å; F311-V324 HydrophobicContact CD2-CB 4.14Å; F311-V324 HydrophobicContact CD2-CG2 4.44Å; F311-V324 HydrophobicContact CE1-CB 3.82Å; F311-V324 HydrophobicContact CE1-CG1 3.52Å; F311-V324 HydrophobicContact CE2-CB 3.78Å; F311-V324 HydrophobicContact CE2-CG1 4.17Å; F311-V324 HydrophobicContact CE2-CG2 3.84Å; F311-V324 HydrophobicContact CG-CB 4.33Å; F311-V324 HydrophobicContact CZ-CB 3.61Å; F311-V324 HydrophobicContact CZ-CG1 3.48Å; F311-V324 VanDerWaalsContact CZ-CG1 3.48Å; F311-V324 HydrophobicContact CZ-CG2 3.96Å; F311-V324 PolarHBondContact N-O 3.37Å; F311-V324 PolarHBondContact O-N 3.09Å; V324-L326 HydrophobicContact CG1-CD2 4.09Å; V324-L326 HydrophobicContact CG1-CG 4.08Å; V324-I342 HydrophobicContact CG1-CG1 4.19Å; V324-I342 HydrophobicContact CG2-CG1 4.32Å; V324-I342 HydrophobicContact CG2-CG2 4.38Å
325	R	95.7	Very high	94	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.045	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.1	168.9	162.9	165.5	-73.9	166.2	-10.3	108.5	D310 V327 Q341 E435	D310-R325 WeakPolarHBondContact OD1-CB 3.28Å; D310-R325 VanDerWaalsContact OD1-CG 3.31Å; D310-R325 WeakPolarHBondContact OD1-CG 3.44Å; D310-R325 IonicContact OD1-CZ 2.76Å; D310-R325 IonicContact OD1-NE 3.69Å; D310-R325 PolarHBondContact OD1-NE 3.27Å; D310-R325 IonicContact OD1-NH2 2.69Å; D310-R325 IonicContact OD2-CZ 3.23Å; D310-R325 IonicContact OD2-NE 3.21Å; D310-R325 PolarHBondContact OD2-NE 2.99Å; D310-R325 IonicContact OD2-NH2 3.94Å; D310-R325 PolarHBondContact OD2-NH2 3.21Å; R325-V327 HydrophobicContact CG-CG2 3.54Å; R325-Q341 HydrophobicContact CB-CB 4.29Å; R325-Q341 PolarHBondContact N-O 3.46Å; R325-Q341 PolarHBondContact O-N 3.02Å; R325-E435 VanDerWaalsContact CZ-CG 3.49Å; R325-E435 IonicContact CZ-OE1 2.72Å; R325-E435 IonicContact NE-OE1 2.89Å; R325-E435 IonicContact NH1-OE1 3.34Å; R325-E435 PolarHBondContact NH1-OE1 3.16Å
326	L	96.9	Very high	94	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136	169	-53.7	176.7	0	0	0	108.1	V144 F154 Y166 L171 F308 I309 V324	V144-L326 HydrophobicContact CG2-CD2 4.34Å; F154-L326 HydrophobicContact CD2-CD1 4.5Å; F154-L326 HydrophobicContact CE1-CD2 4.36Å; F154-L326 HydrophobicContact CE2-CB 3.86Å; F154-L326 HydrophobicContact CE2-CD1 4.38Å; F154-L326 HydrophobicContact CZ-CB 3.76Å; F154-L326 HydrophobicContact CZ-CD2 4.38Å; Y166-L326 HydrophobicContact CE1-CD1 4.12Å; Y166-L326 VanDerWaalsContact OH-CD1 3.23Å; Y166-L326 WeakPolarHBondContact OH-CD1 3.09Å; L171-L326 HydrophobicContact CD1-CD1 4.33Å; F308-L326 CarbonylContact C-O 3.51Å; F308-L326 WeakPolarHBondContact CA-O 3.39Å; I309-L326 HydrophobicContact CB-CB 4.21Å; I309-L326 PolarHBondContact N-O 3.45Å; I309-L326 PolarHBondContact O-N 3.08Å; V324-L326 HydrophobicContact CG1-CD2 4.09Å; V324-L326 HydrophobicContact CG1-CG 4.08Å
327	V	97.2	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.9	-174.5	-168.3	0	0	0	0	109.2	Y264 V306 V307 F308 R325 E329 P338 S339	Y264-V327 HydrophobicContact CE1-CG1 4.18Å; Y264-V327 HydrophobicContact CE1-CG2 3.93Å; V306-V327 HydrophobicContact CG2-CG1 3.4Å; V306-V327 VanDerWaalsContact CG2-CG1 3.4Å; V307-V327 CarbonylContact O-C 3.43Å; V307-V327 WeakPolarHBondContact O-CA 3.18Å; F308-V327 HydrophobicContact CD1-CB 4.47Å; F308-V327 HydrophobicContact CD1-CG1 3.98Å; F308-V327 HydrophobicContact CD1-CG2 3.86Å; F308-V327 HydrophobicContact CE1-CG1 3.84Å; F308-V327 HydrophobicContact CE1-CG2 4.19Å; R325-V327 HydrophobicContact CG-CG2 3.54Å; V327-E329 HydrophobicContact CG1-CG 4.16Å; V327-P338 CarbonylContact O-C 3.6Å; V327-P338 WeakPolarHBondContact O-CA 3.48Å; V327-S339 PolarHBondContact N-O 3.33Å; V327-S339 PolarHBondContact O-N 3.05Å
328	V	97.6	Very high	94.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.4	172.8	-176.7	0	0	0	0	108.2	F154 I157 F163 V306 V307 F330 A336 P338	F154-V328 HydrophobicContact CE2-CG2 3.69Å; F154-V328 HydrophobicContact CZ-CG2 3.82Å; I157-V328 HydrophobicContact CD1-CG2 4.37Å; I157-V328 HydrophobicContact CG2-CG1 4.13Å; F163-V328 HydrophobicContact CD2-CB 4.18Å; F163-V328 HydrophobicContact CD2-CG1 4.42Å; F163-V328 HydrophobicContact CD2-CG2 3.9Å; F163-V328 HydrophobicContact CE2-CB 4.45Å; F163-V328 HydrophobicContact CE2-CG2 4.14Å; V306-V328 CarbonylContact C-O 3.17Å; V306-V328 WeakPolarHBondContact CA-O 3.46Å; V307-V328 PolarHBondContact N-O 3.09Å; V307-V328 PolarHBondContact O-N 3.37Å; V328-F330 HydrophobicContact CB-CE2 4.22Å; V328-F330 HydrophobicContact CB-CZ 4.37Å; V328-F330 HydrophobicContact CG1-CE1 4.12Å; V328-F330 HydrophobicContact CG1-CE2 3.82Å; V328-F330 HydrophobicContact CG1-CZ 3.6Å; V328-A336 HydrophobicContact CG1-CB 3.89Å; V328-P338 HydrophobicContact CG2-CB 4.42Å
329	E	97.1	Very high	94.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.2	179.8	-62.1	177.9	-162.5	0	0	109.4	G266 L267 L268 Y271 V306 V327 P331 A336 V337	G266-E329 WeakPolarHBondContact CA-OE1 3.47Å; L267-E329 PolarHBondContact N-OE1 3.44Å; L267-E329 PolarHBondContact N-OE2 2.91Å; L268-E329 VanDerWaalsContact CB-OE2 3.25Å; L268-E329 WeakPolarHBondContact CB-OE2 3.44Å; L268-E329 HydrophobicContact CD1-CB 4.07Å; L268-E329 VanDerWaalsContact CG-OE2 3.25Å; L268-E329 WeakPolarHBondContact CG-OE2 3.47Å; L268-E329 PolarHBondContact N-OE2 3.08Å; Y271-E329 HydrophobicContact CE2-CG 3.96Å; V306-E329 HydrophobicContact CG2-CG 4.14Å; V327-E329 HydrophobicContact CG1-CG 4.16Å; E329-P331 WeakPolarHBondContact O-CD 3.32Å; E329-A336 CarbonylContact O-C 3.57Å; E329-V337 HydrophobicContact CB-CB 4.39Å; E329-V337 PolarHBondContact N-O 3.44Å; E329-V337 PolarHBondContact O-N 2.94Å
330	F	96.8	Very high	94.9	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	17%	0.171	C	C	.	.			trans	-111.3	94.9	179.3	-65	-82.9	0	0	0	108.2	M160 T304 R305 V307 V328 G335 A336	M160-F330 HydrophobicContact CB-CE1 4.41Å; M160-F330 HydrophobicContact CE-CB 4.36Å; M160-F330 HydrophobicContact CE-CD1 3.67Å; M160-F330 HydrophobicContact CE-CE1 4.11Å; M160-F330 HydrophobicContact CE-CG 3.99Å; M160-F330 HydrophobicContact CG-CD1 3.89Å; M160-F330 HydrophobicContact CG-CE1 3.41Å; M160-F330 VanDerWaalsContact CG-CE1 3.41Å; M160-F330 HydrophobicContact CG-CZ 4.08Å; T304-F330 HydrophobicContact CG2-CD2 4.08Å; R305-F330 VanDerWaalsContact CD-O 3.24Å; R305-F330 WeakPolarHBondContact CD-O 3.38Å; R305-F330 PolarHBondContact O-N 3.03Å; V307-F330 HydrophobicContact CB-CE2 4.42Å; V307-F330 HydrophobicContact CG2-CE2 3.86Å; V328-F330 HydrophobicContact CB-CE2 4.22Å; V328-F330 HydrophobicContact CB-CZ 4.37Å; V328-F330 HydrophobicContact CG1-CE1 4.12Å; V328-F330 HydrophobicContact CG1-CE2 3.82Å; V328-F330 HydrophobicContact CG1-CZ 3.6Å; F330-G335 WeakPolarHBondContact CD1-O 3.46Å; F330-A336 HydrophobicContact CD1-CB 3.94Å; F330-A336 HydrophobicContact CE1-CB 3.67Å; F330-A336 HydrophobicContact CZ-CB 4.5Å
331	P	94.7	Very high	95.1	Very high	28 Å²	28	28.1 Å²	28.1	18%	0.182	18%	0.182	C	C	.	.			trans	-63.6	156	-179.5	23	-31.4	0	0	0	112	L268 E329 T333 G334 V337	L268-P331 HydrophobicContact CD1-CB 3.77Å; L268-P331 HydrophobicContact CD1-CG 4.24Å; E329-P331 WeakPolarHBondContact O-CD 3.32Å; P331-T333 PolarHBondContact O-N 3.1Å; P331-G334 PolarHBondContact O-N 3.21Å; P331-V337 HydrophobicContact CG-CG2 4.23Å
332	A	92.8	Very high	95.2	Very high	45 Å²	45	29 Å²	29	37%	0.372	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	-180	0	0	0	0	0	114	V232 G334	V232-A332 HydrophobicContact CG2-CB 3.94Å; A332-G334 PolarHBondContact O-N 3.29Å
333	T	91.7	Very high	95.2	Very high	132 Å²	132	30.1 Å²	30.1	81%	0.81	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.2	170	50.5	0	0	0	0	113.9	P331	P331-T333 PolarHBondContact O-N 3.1Å
334	G	90.3	Very high	95.1	Very high	46 Å²	46	31.1 Å²	31.1	47%	0.474	20%	0.197	S	C	.	.	S	Bend	trans	80.7	175.8	-163.1	0	0	0	0	0	112.5	P331 A332	P331-G334 PolarHBondContact O-N 3.21Å; A332-G334 PolarHBondContact O-N 3.29Å
335	G	93.4	Very high	94.8	Very high	44 Å²	44	31.5 Å²	31.5	45%	0.454	20%	0.199	S	C	.	.	S	Bend	trans	82.7	-179.1	-165.6	0	0	0	0	0	112.6	G158 F330	G158-G335 CarbonylContact O-C 3.54Å; G158-G335 WeakPolarHBondContact O-CA 3.27Å; F330-G335 WeakPolarHBondContact CD1-O 3.46Å
336	A	95.4	Very high	94.5	Very high	14 Å²	14	33.8 Å²	33.8	12%	0.116	21%	0.21	C	C	.	.			trans	-132.6	149.4	177.1	0	0	0	0	0	110.5	I157 G158 V328 E329 F330	I157-A336 HydrophobicContact CG2-CB 4.06Å; G158-A336 PolarHBondContact O-N 3.15Å; V328-A336 HydrophobicContact CG1-CB 3.89Å; E329-A336 CarbonylContact O-C 3.57Å; F330-A336 HydrophobicContact CD1-CB 3.94Å; F330-A336 HydrophobicContact CE1-CB 3.67Å; F330-A336 HydrophobicContact CZ-CB 4.5Å
337	V	95.3	Very high	93.9	Very high	42 Å²	42	34 Å²	34	26%	0.255	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	100.1	-179.3	-177.3	0	0	0	0	108.6	L267 E329 P331	L267-V337 HydrophobicContact CD2-CG1 3.83Å; E329-V337 HydrophobicContact CB-CB 4.39Å; E329-V337 PolarHBondContact N-O 3.44Å; E329-V337 PolarHBondContact O-N 2.94Å; P331-V337 HydrophobicContact CG-CG2 4.23Å
338	P	96.3	Very high	93.4	Very high	33 Å²	33	36.4 Å²	36.4	21%	0.214	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.2	-178.7	30.4	-32.9	0	0	0	112	F154 I157 V327 V328	F154-P338 HydrophobicContact CD1-CB 4.16Å; F154-P338 HydrophobicContact CE1-CB 3.77Å; F154-P338 HydrophobicContact CZ-CB 4.01Å; F154-P338 WeakPolarHBondContact O-CB 3.42Å; F154-P338 VanDerWaalsContact O-CG 3.26Å; F154-P338 WeakPolarHBondContact O-CG 3.29Å; I157-P338 HydrophobicContact CB-CG 4.48Å; V327-P338 CarbonylContact O-C 3.6Å; V327-P338 WeakPolarHBondContact O-CA 3.48Å; V328-P338 HydrophobicContact CG2-CB 4.42Å
339	S	96.5	Very high	92.6	Very high	25 Å²	25	37.4 Å²	37.4	18%	0.175	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.9	168.7	70.2	0	0	0	0	110.6	F154 V327	F154-S339 WeakPolarHBondContact CE1-O 3.42Å; V327-S339 PolarHBondContact N-O 3.33Å; V327-S339 PolarHBondContact O-N 3.05Å
340	Y	95.4	Very high	92	Very high	96 Å²	96	41 Å²	41	38%	0.376	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.5	-173.2	63.5	-82.1	0	0	0	112.1	T140 V144 I342	T140-Y340 HydrophobicContact CG2-CE2 3.83Å; V144-Y340 HydrophobicContact CG1-CD1 3.92Å; V144-Y340 HydrophobicContact CG1-CE1 3.76Å; V144-Y340 HydrophobicContact CG1-CE2 4.47Å; V144-Y340 HydrophobicContact CG1-CG 4.37Å; V144-Y340 HydrophobicContact CG2-CD1 4.18Å; V144-Y340 HydrophobicContact CG2-CD2 3.78Å; V144-Y340 HydrophobicContact CG2-CE2 4.15Å; V144-Y340 HydrophobicContact CG2-CG 3.79Å; Y340-I342 HydrophobicContact CD2-CD1 4.26Å; Y340-I342 HydrophobicContact CD2-CG1 4.39Å
341	Q	94.9	Very high	91.5	Very high	58 Å²	58	45.2 Å²	45.2	27%	0.271	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	105.8	-179.3	-177.5	137.4	93.3	0	0	109.3	R325 R343	R325-Q341 HydrophobicContact CB-CB 4.29Å; R325-Q341 PolarHBondContact N-O 3.46Å; R325-Q341 PolarHBondContact O-N 3.02Å; Q341-R343 VanDerWaalsContact CD-CZ 3.43Å; Q341-R343 HydrophobicContact CG-CG 4.34Å; Q341-R343 VanDerWaalsContact OE1-NH1 3.16Å
342	I	95.5	Very high	91.2	Very high	25 Å²	25	47 Å²	47	13%	0.128	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.5	179.5	-62.2	175.5	0	0	0	107.6	T136 M139 V144 C322 V323 V324 Y340	T136-I342 HydrophobicContact CG2-CB 4.47Å; T136-I342 HydrophobicContact CG2-CG2 4.05Å; M139-I342 HydrophobicContact CB-CG2 4.23Å; V144-I342 HydrophobicContact CG2-CD1 4.29Å; C322-I342 VanDerWaalsContact SG-CG2 3.55Å; V323-I342 WeakPolarHBondContact O-CA 3.4Å; V324-I342 HydrophobicContact CG1-CG1 4.19Å; V324-I342 HydrophobicContact CG2-CG1 4.32Å; V324-I342 HydrophobicContact CG2-CG2 4.38Å; Y340-I342 HydrophobicContact CD2-CD1 4.26Å; Y340-I342 HydrophobicContact CD2-CG1 4.39Å
343	R	94	Very high	91	Very high	23 Å²	23	53 Å²	53	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	107.1	-174.6	-72.1	-177.6	169.1	118.3	9.9	111.3	C322 V323 Q341 E435 A438 T442	C322-R343 WeakPolarHBondContact CA-O 3.41Å; V323-R343 PolarHBondContact N-O 3.25Å; V323-R343 PolarHBondContact O-N 3.12Å; Q341-R343 VanDerWaalsContact CD-CZ 3.43Å; Q341-R343 HydrophobicContact CG-CG 4.34Å; Q341-R343 VanDerWaalsContact OE1-NH1 3.16Å; R343-E435 IonicContact CZ-OE1 2.89Å; R343-E435 IonicContact CZ-OE2 2.68Å; R343-E435 IonicContact NH1-OE1 2.99Å; R343-E435 PolarHBondContact NH1-OE1 3.35Å; R343-E435 IonicContact NH1-OE2 3.17Å; R343-E435 PolarHBondContact NH1-OE2 2.98Å; R343-A438 HydrophobicContact CB-CB 4.17Å; R343-T442 WeakPolarHBondContact CD-OG1 3.34Å; R343-T442 PolarHBondContact NE-OG1 2.93Å; R343-T442 VanDerWaalsContact NE-OG1 3.12Å
344	T	93.2	Very high	90.8	Very high	25 Å²	25	56.1 Å²	56.1	15%	0.153	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	167.2	58.8	0	0	0	0	111.2	S132 F135 T136 F321 C322	S132-T344 PolarHBondContact O-OG1 3Å; F135-T344 HydrophobicContact CB-CG2 4.08Å; F135-T344 HydrophobicContact CD1-CG2 3.46Å; F135-T344 VanDerWaalsContact CD1-CG2 3.46Å; F135-T344 HydrophobicContact CE1-CG2 4.11Å; F135-T344 HydrophobicContact CG-CG2 3.88Å; T136-T344 WeakPolarHBondContact OG1-CG2 3.49Å; T136-T344 PolarHBondContact OG1-OG1 3.28Å; T136-T344 VanDerWaalsContact OG1-OG1 3.07Å; F321-T344 CarbonylContact O-C 3.57Å; F321-T344 VanDerWaalsContact O-CA 3.26Å; F321-T344 WeakPolarHBondContact O-CA 3.19Å; C322-T344 HydrophobicContact CB-CG2 4.17Å
345	V	90.8	Very high	90.7	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.1	-177.2	-72.2	0	0	0	0	112	F321 L347 A438 Q441	F321-V345 HydrophobicContact CB-CG2 4.24Å; F321-V345 PolarHBondContact N-O 3.47Å; F321-V345 PolarHBondContact O-N 3.34Å; V345-L347 HydrophobicContact CB-CD2 4.22Å; V345-L347 HydrophobicContact CG2-CD1 4.5Å; V345-L347 HydrophobicContact CG2-CD2 3.81Å; V345-L347 HydrophobicContact CG2-CG 3.96Å; V345-L347 PolarHBondContact O-N 3.23Å; V345-A438 HydrophobicContact CG1-CB 4.46Å; V345-A438 HydrophobicContact CG2-CB 4.11Å; V345-Q441 HydrophobicContact CB-CG 4.25Å; V345-Q441 HydrophobicContact CG1-CB 4.18Å; V345-Q441 HydrophobicContact CG1-CG 3.86Å
346	K	88.6	Confident	90.5	Very high	60 Å²	60	58.6 Å²	58.6	26%	0.261	27%	0.273	S	S	.	.			trans	-85.8	91.4	170.1	-174.6	172	-172.6	-177.3	0	109.5	N319 I348 D355	N319-K346 WeakPolarHBondContact ND2-CE 2.97Å; K346-I348 VanDerWaalsContact CE-O 3.31Å; K346-I348 WeakPolarHBondContact CE-O 3.32Å; K346-I348 WeakPolarHBondContact CG-O 3.49Å; K346-D355 IonicContact NZ-OD1 3.72Å; K346-D355 PolarHBondContact NZ-OD1 3.13Å; K346-D355 IonicContact NZ-OD2 2.68Å; K346-D355 PolarHBondContact NZ-OD2 3.46Å
347	L	85.4	Confident	90.3	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	29%	0.29	C	S	.	.			trans	-75.9	-46.6	-179.9	-62.5	-177.4	0	0	0	112.1	F321 V345 V417 F434 L437	F321-L347 HydrophobicContact CB-CD1 4.16Å; F321-L347 HydrophobicContact CB-CG 4.36Å; F321-L347 HydrophobicContact CD1-CD1 3.9Å; F321-L347 HydrophobicContact CD2-CB 3.76Å; F321-L347 HydrophobicContact CD2-CD1 3.95Å; F321-L347 HydrophobicContact CD2-CG 3.85Å; F321-L347 HydrophobicContact CE1-CD1 4.29Å; F321-L347 HydrophobicContact CE2-CB 3.84Å; F321-L347 HydrophobicContact CE2-CD1 4.37Å; F321-L347 HydrophobicContact CE2-CG 4.37Å; F321-L347 HydrophobicContact CG-CB 4.42Å; F321-L347 HydrophobicContact CG-CD1 3.73Å; F321-L347 HydrophobicContact CG-CG 4.05Å; F321-L347 HydrophobicContact CZ-CB 4.49Å; V345-L347 HydrophobicContact CB-CD2 4.22Å; V345-L347 HydrophobicContact CG2-CD1 4.5Å; V345-L347 HydrophobicContact CG2-CD2 3.81Å; V345-L347 HydrophobicContact CG2-CG 3.96Å; V345-L347 PolarHBondContact O-N 3.23Å; L347-V417 HydrophobicContact CB-CG1 4.36Å; L347-V417 HydrophobicContact CB-CG2 4.01Å; L347-V417 HydrophobicContact CD2-CG2 4.45Å; L347-F434 HydrophobicContact CD1-CD1 3.62Å; L347-F434 HydrophobicContact CD1-CE1 3.94Å; L347-L437 HydrophobicContact CD1-CD2 3.91Å; L347-L437 HydrophobicContact CD2-CD2 3.97Å; L347-L437 HydrophobicContact CD2-CG 4Å
348	I	85.8	Confident	90.1	Very high	50 Å²	50	61.9 Å²	61.9	26%	0.256	28%	0.283	S	S	.	.			trans	-87.1	109.7	177.4	-52.3	169.2	0	0	0	108.4	N319 F321 K346 I351 V417 L421	N319-I348 PolarHBondContact ND2-O 3.29Å; F321-I348 HydrophobicContact CE2-CD1 3.99Å; F321-I348 HydrophobicContact CE2-CG1 3.95Å; F321-I348 HydrophobicContact CZ-CD1 3.88Å; F321-I348 HydrophobicContact CZ-CG1 4.14Å; K346-I348 VanDerWaalsContact CE-O 3.31Å; K346-I348 WeakPolarHBondContact CE-O 3.32Å; K346-I348 WeakPolarHBondContact CG-O 3.49Å; I348-I351 HydrophobicContact CG2-CD1 3.82Å; I348-I351 HydrophobicContact CG2-CG1 3.94Å; I348-V417 HydrophobicContact CG1-CG1 4.49Å; I348-L421 HydrophobicContact CD1-CD2 3.92Å; I348-L421 HydrophobicContact CG1-CD2 4.46Å
349	R	82	Confident	89.8	Confident	23 Å²	23	62.9 Å²	62.9	9%	0.087	29%	0.286	C	S	.	.			trans	-84	-67	-177.9	-71	-167.2	175.9	-158.4	-6.2	113.4	M127 I351 D355 E362	M127-R349 VanDerWaalsContact CE-NH2 3.32Å; M127-R349 PolarHBondContact SD-NH2 3.18Å; R349-I351 VanDerWaalsContact C-N 3.34Å; R349-I351 PolarHBondContact O-N 3.1Å; R349-D355 VanDerWaalsContact O-CB 3.23Å; R349-D355 WeakPolarHBondContact O-CB 3.23Å; R349-D355 VanDerWaalsContact O-OD2 3.1Å; R349-E362 IonicContact CZ-OE1 3.35Å; R349-E362 IonicContact NH1-OE1 3.54Å; R349-E362 PolarHBondContact NH1-OE1 3.25Å
350	Y	84.1	Confident	89.6	Confident	75 Å²	75	63.3 Å²	63.3	29%	0.294	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	70.8	-157.6	-43.9	-59.8	0	0	0	113.6	L359	Y350-L359 HydrophobicContact CD1-CB 4.13Å; Y350-L359 HydrophobicContact CD1-CD2 4.25Å; Y350-L359 HydrophobicContact CE1-CB 3.95Å; Y350-L359 HydrophobicContact CE1-CD1 3.92Å; Y350-L359 HydrophobicContact CE1-CD2 4.35Å; Y350-L359 HydrophobicContact CE1-CG 4.29Å
351	I	85.8	Confident	89.4	Confident	93 Å²	93	59.3 Å²	59.3	48%	0.477	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-51.9	174.9	-51.1	-170.6	0	0	0	111.4	N319 I348 R349	N319-I351 VanDerWaalsContact ND2-CD1 3.32Å; N319-I351 WeakPolarHBondContact ND2-CD1 3.45Å; I348-I351 HydrophobicContact CG2-CD1 3.82Å; I348-I351 HydrophobicContact CG2-CG1 3.94Å; R349-I351 VanDerWaalsContact C-N 3.34Å; R349-I351 PolarHBondContact O-N 3.1Å
352	T	87.6	Confident	89.3	Confident	65 Å²	65	57.7 Å²	57.7	40%	0.399	27%	0.273	S	S	.	.	S	Bend	trans	-90	160.9	-172	74.1	0	0	0	0	112.4	W354 D355 Y356	T352-W354 PolarHBondContact O-N 3.07Å; T352-W354 PolarHBondContact OG1-N 2.97Å; T352-D355 WeakPolarHBondContact CB-OD2 3.41Å; T352-D355 WeakPolarHBondContact CG2-OD2 3.43Å; T352-D355 PolarHBondContact N-OD2 3.36Å; T352-D355 WeakPolarHBondContact O-CB 3.36Å; T352-D355 PolarHBondContact O-N 3.32Å; T352-D355 VanDerWaalsContact OG1-CG 3.28Å; T352-D355 PolarHBondContact OG1-N 2.78Å; T352-D355 PolarHBondContact OG1-OD2 2.97Å; T352-Y356 VanDerWaalsContact O-CD2 3.24Å; T352-Y356 WeakPolarHBondContact O-CD2 3.46Å; T352-Y356 PolarHBondContact O-N 2.94Å; T352-Y356 VanDerWaalsContact O-N 3.13Å
353	H	89.4	Confident	89.1	Confident	171 Å²	171	61.9 Å²	61.9	79%	0.792	30%	0.295	S	S	*	.	H	α-helix	trans	-57.5	-30.6	172.7	-61.1	-52.6	0	0	0	113.1	Y356 F357	H353-Y356 PolarHBondContact O-N 2.75Å; H353-F357 PolarHBondContact O-N 3.23Å; H353-F357 VanDerWaalsContact O-N 3.11Å
354	W	87.6	Confident	89.1	Confident	197 Å²	197	64 Å²	64	75%	0.746	31%	0.311	S	S	*	.	H	α-helix	trans	-68.1	-37	172.3	-72.9	115.1	0	0	0	112.4	T352 Y356 F357 V358	T352-W354 PolarHBondContact O-N 3.07Å; T352-W354 PolarHBondContact OG1-N 2.97Å; W354-Y356 VanDerWaalsContact C-N 3.33Å; W354-Y356 PolarHBondContact O-N 3.2Å; W354-F357 HydrophobicContact CE3-CD1 4.39Å; W354-F357 WeakPolarHBondContact O-CB 3.36Å; W354-F357 PolarHBondContact O-N 3.4Å; W354-V358 WeakPolarHBondContact O-CG2 3.46Å; W354-V358 PolarHBondContact O-N 3.38Å
355	D	87.2	Confident	89.1	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-33.8	176.2	-61.7	-58.8	0	0	0	112.1	K346 R349 T352 V358 L359	K346-D355 IonicContact NZ-OD1 3.72Å; K346-D355 PolarHBondContact NZ-OD1 3.13Å; K346-D355 IonicContact NZ-OD2 2.68Å; K346-D355 PolarHBondContact NZ-OD2 3.46Å; R349-D355 VanDerWaalsContact O-CB 3.23Å; R349-D355 WeakPolarHBondContact O-CB 3.23Å; R349-D355 VanDerWaalsContact O-OD2 3.1Å; T352-D355 WeakPolarHBondContact CB-OD2 3.41Å; T352-D355 WeakPolarHBondContact CG2-OD2 3.43Å; T352-D355 PolarHBondContact N-OD2 3.36Å; T352-D355 WeakPolarHBondContact O-CB 3.36Å; T352-D355 PolarHBondContact O-N 3.32Å; T352-D355 VanDerWaalsContact OG1-CG 3.28Å; T352-D355 PolarHBondContact OG1-N 2.78Å; T352-D355 PolarHBondContact OG1-OD2 2.97Å; D355-V358 PolarHBondContact O-N 3.26Å; D355-L359 PolarHBondContact O-N 2.95Å
356	Y	90.1	Very high	89.2	Confident	130 Å²	130	65.4 Å²	65.4	51%	0.51	32%	0.319	S	S	.	.	H	α-helix	trans	-70.7	-31	171.2	-70.6	-69.2	0	0	0	113	T352 H353 W354 L359 G360	T352-Y356 VanDerWaalsContact O-CD2 3.24Å; T352-Y356 WeakPolarHBondContact O-CD2 3.46Å; T352-Y356 PolarHBondContact O-N 2.94Å; T352-Y356 VanDerWaalsContact O-N 3.13Å; H353-Y356 PolarHBondContact O-N 2.75Å; W354-Y356 VanDerWaalsContact C-N 3.33Å; W354-Y356 PolarHBondContact O-N 3.2Å; Y356-L359 HydrophobicContact CD1-CD2 4.41Å; Y356-G360 PolarHBondContact O-N 3.48Å
357	F	91.5	Very high	89.5	Confident	108 Å²	108	67.3 Å²	67.3	47%	0.474	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-44.2	170	174.7	-96.4	0	0	0	111.4	H353 W354 L359 G360 C361	H353-F357 PolarHBondContact O-N 3.23Å; H353-F357 VanDerWaalsContact O-N 3.11Å; W354-F357 HydrophobicContact CE3-CD1 4.39Å; W354-F357 WeakPolarHBondContact O-CB 3.36Å; W354-F357 PolarHBondContact O-N 3.4Å; F357-L359 VanDerWaalsContact C-N 3.32Å; F357-L359 PolarHBondContact O-N 3.43Å; F357-G360 WeakPolarHBondContact O-CA 3.38Å; F357-G360 PolarHBondContact O-N 3.32Å; F357-C361 PolarHBondContact O-N 2.84Å; F357-C361 VanDerWaalsContact O-N 3.15Å
358	V	90.3	Very high	89.9	Confident	17 Å²	17	68.7 Å²	68.7	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-40.4	174.2	171.8	0	0	0	0	111.3	L123 W354 D355 G360 C361 E362	L123-V358 HydrophobicContact CD2-CG1 3.95Å; W354-V358 WeakPolarHBondContact O-CG2 3.46Å; W354-V358 PolarHBondContact O-N 3.38Å; D355-V358 PolarHBondContact O-N 3.26Å; V358-G360 VanDerWaalsContact C-N 3.25Å; V358-G360 PolarHBondContact O-N 2.86Å; V358-C361 CarbonylContact O-C 3.53Å; V358-C361 WeakPolarHBondContact O-CA 3.35Å; V358-C361 WeakPolarHBondContact O-CB 3.31Å; V358-C361 PolarHBondContact O-N 3.28Å; V358-C361 VanDerWaalsContact O-N 3.11Å; V358-E362 PolarHBondContact O-N 2.9Å
359	L	90.2	Very high	90.2	Very high	54 Å²	54	66.5 Å²	66.5	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-34.8	172	178.8	61.1	0	0	0	112.7	Y350 D355 Y356 F357 E362 L363	Y350-L359 HydrophobicContact CD1-CB 4.13Å; Y350-L359 HydrophobicContact CD1-CD2 4.25Å; Y350-L359 HydrophobicContact CE1-CB 3.95Å; Y350-L359 HydrophobicContact CE1-CD1 3.92Å; Y350-L359 HydrophobicContact CE1-CD2 4.35Å; Y350-L359 HydrophobicContact CE1-CG 4.29Å; D355-L359 PolarHBondContact O-N 2.95Å; Y356-L359 HydrophobicContact CD1-CD2 4.41Å; F357-L359 VanDerWaalsContact C-N 3.32Å; F357-L359 PolarHBondContact O-N 3.43Å; L359-E362 PolarHBondContact O-N 3.4Å; L359-L363 WeakPolarHBondContact O-CG 3.32Å; L359-L363 PolarHBondContact O-N 3.43Å; L359-L363 VanDerWaalsContact O-N 3.15Å
360	G	91.9	Very high	90.8	Very high	34 Å²	34	71.1 Å²	71.1	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-46.1	171.6	0	0	0	0	0	112.5	Y356 F357 V358 L363 V364	Y356-G360 PolarHBondContact O-N 3.48Å; F357-G360 WeakPolarHBondContact O-CA 3.38Å; F357-G360 PolarHBondContact O-N 3.32Å; V358-G360 VanDerWaalsContact C-N 3.25Å; V358-G360 PolarHBondContact O-N 2.86Å; G360-L363 PolarHBondContact O-N 3.33Å; G360-V364 WeakPolarHBondContact O-CG2 3.39Å; G360-V364 PolarHBondContact O-N 3.18Å; G360-V364 VanDerWaalsContact O-N 3.13Å
361	C	92.3	Very high	91.2	Very high	12 Å²	12	70 Å²	70	8%	0.081	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-39.1	171.4	-76.8	0	0	0	0	112.4	D119 L123 F357 V358 L363 V364 F365	D119-C361 VanDerWaalsContact OD1-CB 3.31Å; D119-C361 WeakPolarHBondContact OD1-CB 3.41Å; D119-C361 PolarHBondContact OD1-SG 3.16Å; L123-C361 HydrophobicContact CD2-CB 3.49Å; L123-C361 VanDerWaalsContact CD2-CB 3.49Å; L123-C361 HydrophobicContact CG-CB 3.91Å; F357-C361 PolarHBondContact O-N 2.84Å; F357-C361 VanDerWaalsContact O-N 3.15Å; V358-C361 CarbonylContact O-C 3.53Å; V358-C361 WeakPolarHBondContact O-CA 3.35Å; V358-C361 WeakPolarHBondContact O-CB 3.31Å; V358-C361 PolarHBondContact O-N 3.28Å; V358-C361 VanDerWaalsContact O-N 3.11Å; C361-L363 PolarHBondContact O-N 2.98Å; C361-V364 PolarHBondContact O-N 3.22Å; C361-V364 VanDerWaalsContact O-N 3.11Å; C361-F365 WeakPolarHBondContact O-CB 3.49Å; C361-F365 PolarHBondContact O-N 2.69Å
362	E	91.5	Very high	91.5	Very high	23 Å²	23	66 Å²	66	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-34.3	178.7	-72.1	-170.9	-162	0	0	111.4	L123 R349 V358 L359 C366 N410	L123-E362 HydrophobicContact CD2-CB 4.38Å; L123-E362 HydrophobicContact CD2-CG 3.53Å; R349-E362 IonicContact CZ-OE1 3.35Å; R349-E362 IonicContact NH1-OE1 3.54Å; R349-E362 PolarHBondContact NH1-OE1 3.25Å; V358-E362 PolarHBondContact O-N 2.9Å; L359-E362 PolarHBondContact O-N 3.4Å; E362-C366 PolarHBondContact O-N 3.12Å; E362-C366 PolarHBondContact O-SG 3.49Å; E362-N410 PolarHBondContact OE2-ND2 2.76Å
363	L	92.6	Very high	91.7	Very high	114 Å²	114	64.8 Å²	64.8	60%	0.597	32%	0.322	S	S	*	.	H	α-helix	trans	-71.8	-41.3	173.4	-66.9	172.4	0	0	0	112.8	L359 G360 C361 C366 V367	L359-L363 WeakPolarHBondContact O-CG 3.32Å; L359-L363 PolarHBondContact O-N 3.43Å; L359-L363 VanDerWaalsContact O-N 3.15Å; G360-L363 PolarHBondContact O-N 3.33Å; C361-L363 PolarHBondContact O-N 2.98Å; L363-C366 PolarHBondContact O-N 2.98Å; L363-V367 PolarHBondContact O-N 3.45Å; L363-V367 VanDerWaalsContact O-N 3.16Å
364	V	93.9	Very high	91.7	Very high	68 Å²	68	59.6 Å²	59.6	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-45	176.4	169.6	0	0	0	0	111	G360 C361 C366 V367 F368	G360-V364 WeakPolarHBondContact O-CG2 3.39Å; G360-V364 PolarHBondContact O-N 3.18Å; G360-V364 VanDerWaalsContact O-N 3.13Å; C361-V364 PolarHBondContact O-N 3.22Å; C361-V364 VanDerWaalsContact O-N 3.11Å; V364-C366 VanDerWaalsContact C-N 3.34Å; V364-C366 PolarHBondContact O-N 3.35Å; V364-V367 WeakPolarHBondContact O-CB 3.14Å; V364-V367 PolarHBondContact O-N 2.95Å; V364-F368 HydrophobicContact CG1-CD2 3.77Å; V364-F368 HydrophobicContact CG1-CE2 3.54Å; V364-F368 WeakPolarHBondContact O-CD2 3.43Å; V364-F368 PolarHBondContact O-N 2.93Å
365	F	93.1	Very high	91.7	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.096	27%	0.272	C	S	.	.	H	α-helix	trans	-55.9	-46.2	173.2	177.4	-106.1	0	0	0	112	F116 D119 V120 L123 C361 V367 F368 I369 A403 I407	F116-F365 AromaticContact CE2-CD2 3.87Å; F116-F365 HydrophobicContact CE2-CD2 3.87Å; F116-F365 AromaticContact CE2-CE2 3.71Å; F116-F365 HydrophobicContact CE2-CE2 3.71Å; F116-F365 HydrophobicContact CZ-CE2 4.16Å; D119-F365 VanDerWaalsContact OD2-CA 3.3Å; D119-F365 WeakPolarHBondContact OD2-CA 3.17Å; D119-F365 WeakPolarHBondContact OD2-CB 3.27Å; D119-F365 PolarHBondContact OD2-N 2.72Å; D119-F365 VanDerWaalsContact OD2-N 3.09Å; V120-F365 HydrophobicContact CG2-CD2 3.75Å; V120-F365 HydrophobicContact CG2-CE2 3.61Å; L123-F365 HydrophobicContact CD1-CB 3.62Å; L123-F365 HydrophobicContact CD1-CD1 4.33Å; L123-F365 HydrophobicContact CD1-CD2 4.27Å; L123-F365 HydrophobicContact CD1-CG 3.83Å; C361-F365 WeakPolarHBondContact O-CB 3.49Å; C361-F365 PolarHBondContact O-N 2.69Å; F365-V367 VanDerWaalsContact C-N 3.27Å; F365-V367 PolarHBondContact O-N 3.31Å; F365-F368 PolarHBondContact O-N 2.67Å; F365-F368 VanDerWaalsContact O-N 3.12Å; F365-I369 HydrophobicContact CD1-CG1 4.25Å; F365-I369 HydrophobicContact CD2-CG1 4.32Å; F365-I369 HydrophobicContact CE1-CG1 3.87Å; F365-I369 HydrophobicContact CE2-CD1 3.9Å; F365-I369 HydrophobicContact CE2-CG1 3.93Å; F365-I369 HydrophobicContact CG-CG1 4.47Å; F365-I369 HydrophobicContact CZ-CD1 3.88Å; F365-I369 HydrophobicContact CZ-CG1 3.71Å; F365-I369 WeakPolarHBondContact O-CG1 3.28Å; F365-I369 PolarHBondContact O-N 2.98Å; F365-A403 HydrophobicContact CE1-CB 4.27Å; F365-A403 HydrophobicContact CZ-CB 3.69Å; F365-I407 HydrophobicContact CD1-CD1 4.5Å; F365-I407 HydrophobicContact CE1-CD1 4.2Å; F365-I407 HydrophobicContact CE1-CG1 4.2Å
366	C	93.1	Very high	91.8	Very high	40 Å²	40	51.4 Å²	51.4	27%	0.27	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-36.9	176	-70.6	0	0	0	0	112.5	E362 L363 V364 L370	E362-C366 PolarHBondContact O-N 3.12Å; E362-C366 PolarHBondContact O-SG 3.49Å; L363-C366 PolarHBondContact O-N 2.98Å; V364-C366 VanDerWaalsContact C-N 3.34Å; V364-C366 PolarHBondContact O-N 3.35Å; C366-L370 WeakPolarHBondContact O-CG 3.44Å; C366-L370 PolarHBondContact O-N 3.47Å
367	V	94.1	Very high	91.8	Very high	99 Å²	99	49.4 Å²	49.4	60%	0.6	27%	0.269	S	S	*	.	H	α-helix	trans	-67.9	-41.1	174.4	174.5	0	0	0	0	111.6	L363 V364 F365 L370 Y371	L363-V367 PolarHBondContact O-N 3.45Å; L363-V367 VanDerWaalsContact O-N 3.16Å; V364-V367 WeakPolarHBondContact O-CB 3.14Å; V364-V367 PolarHBondContact O-N 2.95Å; F365-V367 VanDerWaalsContact C-N 3.27Å; F365-V367 PolarHBondContact O-N 3.31Å; V367-L370 PolarHBondContact O-N 2.99Å; V367-Y371 PolarHBondContact O-N 3.29Å
368	F	93.9	Very high	91.5	Very high	34 Å²	34	47.7 Å²	47.7	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-41.6	174.4	-81.4	-62.5	0	0	0	112.9	V112 V115 F116 V364 F365 Y371 Y372	V112-F368 HydrophobicContact CG1-CE1 4.12Å; V115-F368 HydrophobicContact CB-CZ 4.25Å; V115-F368 HydrophobicContact CG1-CE2 4.16Å; V115-F368 HydrophobicContact CG1-CZ 3.75Å; F116-F368 HydrophobicContact CB-CD1 4.2Å; F116-F368 HydrophobicContact CB-CD2 4.41Å; F116-F368 HydrophobicContact CB-CE1 4.36Å; F116-F368 HydrophobicContact CB-CG 4.24Å; F116-F368 HydrophobicContact CD2-CB 3.61Å; F116-F368 HydrophobicContact CD2-CD2 4.2Å; F116-F368 AromaticContact CD2-CG 3.89Å; F116-F368 HydrophobicContact CD2-CG 3.89Å; F116-F368 HydrophobicContact CE2-CB 4.17Å; V364-F368 HydrophobicContact CG1-CD2 3.77Å; V364-F368 HydrophobicContact CG1-CE2 3.54Å; V364-F368 WeakPolarHBondContact O-CD2 3.43Å; V364-F368 PolarHBondContact O-N 2.93Å; F365-F368 PolarHBondContact O-N 2.67Å; F365-F368 VanDerWaalsContact O-N 3.12Å; F368-Y371 WeakPolarHBondContact O-CB 3.38Å; F368-Y371 PolarHBondContact O-N 3.2Å; F368-Y372 HydrophobicContact CB-CE2 4.5Å; F368-Y372 WeakPolarHBondContact O-CD2 3.38Å; F368-Y372 PolarHBondContact O-N 2.95Å
369	I	92.9	Very high	91.3	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-39.9	176.5	-63.1	-56.4	0	0	0	110.9	F116 F365 Y371 Y372 V373 A403 I404 I407	F116-I369 HydrophobicContact CE2-CD1 3.98Å; F116-I369 HydrophobicContact CZ-CD1 4.25Å; F365-I369 HydrophobicContact CD1-CG1 4.25Å; F365-I369 HydrophobicContact CD2-CG1 4.32Å; F365-I369 HydrophobicContact CE1-CG1 3.87Å; F365-I369 HydrophobicContact CE2-CD1 3.9Å; F365-I369 HydrophobicContact CE2-CG1 3.93Å; F365-I369 HydrophobicContact CG-CG1 4.47Å; F365-I369 HydrophobicContact CZ-CD1 3.88Å; F365-I369 HydrophobicContact CZ-CG1 3.71Å; F365-I369 WeakPolarHBondContact O-CG1 3.28Å; F365-I369 PolarHBondContact O-N 2.98Å; I369-Y371 VanDerWaalsContact C-N 3.33Å; I369-Y371 PolarHBondContact O-N 3.49Å; I369-Y372 PolarHBondContact O-N 3.35Å; I369-V373 HydrophobicContact CG2-CG2 4.24Å; I369-V373 WeakPolarHBondContact O-CB 3.42Å; I369-V373 WeakPolarHBondContact O-CG2 3.49Å; I369-V373 PolarHBondContact O-N 3.03Å; I369-A403 HydrophobicContact CD1-CB 3.42Å; I369-A403 VanDerWaalsContact CD1-CB 3.42Å; I369-A403 HydrophobicContact CG1-CB 3.85Å; I369-A403 HydrophobicContact CG2-CB 4.4Å; I369-I404 HydrophobicContact CG2-CG1 4.25Å; I369-I407 HydrophobicContact CB-CD1 4.47Å; I369-I407 HydrophobicContact CG2-CD1 4.37Å
370	L	93.1	Very high	91.1	Very high	119 Å²	119	47.9 Å²	47.9	62%	0.623	27%	0.265	S	S	*	.	H	α-helix	trans	-63.8	-36.3	173.2	-72.9	170.9	0	0	0	112.9	C366 V367 V374	C366-L370 WeakPolarHBondContact O-CG 3.44Å; C366-L370 PolarHBondContact O-N 3.47Å; V367-L370 PolarHBondContact O-N 2.99Å; L370-V374 WeakPolarHBondContact O-CG2 3.41Å; L370-V374 PolarHBondContact O-N 2.96Å
371	Y	92.4	Very high	90.8	Very high	51 Å²	51	55.6 Å²	55.6	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-55.8	172.7	173.2	-102.1	0	0	0	111.2	W87 V112 V367 F368 I369 V373 V374 E375	W87-Y371 HydrophobicContact CE3-CD2 4.33Å; W87-Y371 HydrophobicContact CE3-CE2 4.1Å; W87-Y371 AromaticContact CH2-CD2 3.67Å; W87-Y371 HydrophobicContact CH2-CD2 3.67Å; W87-Y371 HydrophobicContact CH2-CE2 4.23Å; W87-Y371 HydrophobicContact CZ2-CD2 4.35Å; W87-Y371 AromaticContact CZ3-CD2 3.64Å; W87-Y371 HydrophobicContact CZ3-CD2 3.64Å; W87-Y371 AromaticContact CZ3-CE2 3.87Å; W87-Y371 HydrophobicContact CZ3-CE2 3.87Å; W87-Y371 HydrophobicContact CZ3-CG 4.43Å; W87-Y371 WeakPolarHBondContact CZ3-O 3.38Å; V112-Y371 HydrophobicContact CG1-CE1 4.26Å; V367-Y371 PolarHBondContact O-N 3.29Å; F368-Y371 WeakPolarHBondContact O-CB 3.38Å; F368-Y371 PolarHBondContact O-N 3.2Å; I369-Y371 VanDerWaalsContact C-N 3.33Å; I369-Y371 PolarHBondContact O-N 3.49Å; Y371-V373 PolarHBondContact O-N 3.39Å; Y371-V374 PolarHBondContact O-N 3.4Å; Y371-V374 VanDerWaalsContact O-N 3.12Å; Y371-E375 WeakPolarHBondContact CE1-OE2 3.33Å; Y371-E375 PolarHBondContact O-N 3.48Å
372	Y	91.8	Very high	90.5	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.043	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-36.5	-179.5	-70.9	-54.2	0	0	0	113.1	F116 F368 I369 V374 E375 E376	F116-Y372 HydrophobicContact CB-CE2 4.27Å; F116-Y372 HydrophobicContact CD1-CE2 4.16Å; F116-Y372 AromaticContact CD2-CE2 3.99Å; F116-Y372 HydrophobicContact CD2-CE2 3.99Å; F116-Y372 HydrophobicContact CE2-CE2 4.34Å; F116-Y372 AromaticContact CG-CE2 3.86Å; F116-Y372 HydrophobicContact CG-CE2 3.86Å; F368-Y372 HydrophobicContact CB-CE2 4.5Å; F368-Y372 WeakPolarHBondContact O-CD2 3.38Å; F368-Y372 PolarHBondContact O-N 2.95Å; I369-Y372 PolarHBondContact O-N 3.35Å; Y372-V374 VanDerWaalsContact C-N 3.3Å; Y372-V374 PolarHBondContact O-N 2.93Å; Y372-E375 WeakPolarHBondContact CD1-OE2 3.32Å; Y372-E375 WeakPolarHBondContact CE1-OE2 3.48Å; Y372-E375 PolarHBondContact O-N 3.47Å; Y372-E376 WeakPolarHBondContact O-CG 3.07Å; Y372-E376 PolarHBondContact O-N 2.94Å
373	V	92.1	Very high	89.8	Confident	38 Å²	38	61.5 Å²	61.5	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-58.3	-41.3	173.8	164.7	0	0	0	0	111.7	I369 Y371 I377 I400 I404	I369-V373 HydrophobicContact CG2-CG2 4.24Å; I369-V373 WeakPolarHBondContact O-CB 3.42Å; I369-V373 WeakPolarHBondContact O-CG2 3.49Å; I369-V373 PolarHBondContact O-N 3.03Å; Y371-V373 PolarHBondContact O-N 3.39Å; V373-I377 HydrophobicContact CG1-CD1 3.79Å; V373-I377 WeakPolarHBondContact O-CB 3.47Å; V373-I377 VanDerWaalsContact O-CD1 3.31Å; V373-I377 WeakPolarHBondContact O-CD1 3.2Å; V373-I377 WeakPolarHBondContact O-CG1 3.46Å; V373-I377 PolarHBondContact O-N 3.3Å; V373-I377 VanDerWaalsContact O-N 3.16Å; V373-I400 HydrophobicContact CG2-CG2 3.5Å; V373-I400 VanDerWaalsContact CG2-CG2 3.5Å; V373-I404 HydrophobicContact CG2-CD1 4.16Å
374	V	90.8	Very high	89.4	Confident	63 Å²	63	62.6 Å²	62.6	38%	0.382	31%	0.312	S	S	.	.	H	α-helix	trans	-74.7	-36.9	178.3	174.4	0	0	0	0	111.6	W87 L370 Y371 Y372 I377 L378	W87-V374 HydrophobicContact CE3-CG1 4.01Å; W87-V374 HydrophobicContact CH2-CB 3.59Å; W87-V374 HydrophobicContact CH2-CG1 3.54Å; W87-V374 HydrophobicContact CH2-CG2 4.37Å; W87-V374 HydrophobicContact CZ2-CG1 4.14Å; W87-V374 HydrophobicContact CZ3-CB 3.58Å; W87-V374 HydrophobicContact CZ3-CG1 3.47Å; W87-V374 VanDerWaalsContact CZ3-CG1 3.47Å; L370-V374 WeakPolarHBondContact O-CG2 3.41Å; L370-V374 PolarHBondContact O-N 2.96Å; Y371-V374 PolarHBondContact O-N 3.4Å; Y371-V374 VanDerWaalsContact O-N 3.12Å; Y372-V374 VanDerWaalsContact C-N 3.3Å; Y372-V374 PolarHBondContact O-N 2.93Å; V374-I377 PolarHBondContact O-N 3.32Å; V374-L378 HydrophobicContact CG1-CD1 4.21Å; V374-L378 VanDerWaalsContact O-CG 3.29Å; V374-L378 WeakPolarHBondContact O-CG 3.34Å; V374-L378 PolarHBondContact O-N 2.88Å; V374-L378 VanDerWaalsContact O-N 3.12Å
375	E	87.6	Confident	88.7	Confident	23 Å²	23	68.1 Å²	68.1	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-57.5	-55.4	174	-170	176.2	171.4	0	0	111.1	T89 Y371 Y372 I377 L378 E379	T89-E375 HydrophobicContact CG2-CG 3.82Å; T89-E375 VanDerWaalsContact CG2-OE1 3.23Å; T89-E375 WeakPolarHBondContact CG2-OE1 3.24Å; Y371-E375 WeakPolarHBondContact CE1-OE2 3.33Å; Y371-E375 PolarHBondContact O-N 3.48Å; Y372-E375 WeakPolarHBondContact CD1-OE2 3.32Å; Y372-E375 WeakPolarHBondContact CE1-OE2 3.48Å; Y372-E375 PolarHBondContact O-N 3.47Å; E375-I377 PolarHBondContact O-N 2.89Å; E375-L378 WeakPolarHBondContact O-CB 3.37Å; E375-L378 PolarHBondContact O-N 2.83Å; E375-L378 VanDerWaalsContact O-N 3.07Å; E375-E379 PolarHBondContact O-N 3.31Å
376	E	89.6	Confident	88.1	Confident	14 Å²	14	70 Å²	70	7%	0.065	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-34.4	-179.2	-60.5	-54.6	162.4	0	0	112.8	Y372 L378 E379 L380 Y387 D396 I400	Y372-E376 WeakPolarHBondContact O-CG 3.07Å; Y372-E376 PolarHBondContact O-N 2.94Å; E376-L378 VanDerWaalsContact C-N 3.26Å; E376-L378 PolarHBondContact O-N 2.84Å; E376-E379 PolarHBondContact O-N 3.03Å; E376-L380 WeakPolarHBondContact O-CB 3.19Å; E376-L380 PolarHBondContact O-N 3.42Å; E376-Y387 VanDerWaalsContact CD-OH 3.31Å; E376-Y387 VanDerWaalsContact OE2-CE2 3.24Å; E376-Y387 WeakPolarHBondContact OE2-CE2 3.31Å; E376-Y387 VanDerWaalsContact OE2-CZ 3.27Å; E376-Y387 PolarHBondContact OE2-OH 3.06Å; E376-D396 WeakPolarHBondContact OE1-CB 3.46Å; E376-I400 HydrophobicContact CB-CD1 4.33Å; E376-I400 HydrophobicContact CG-CD1 3.47Å; E376-I400 VanDerWaalsContact CG-CD1 3.47Å
377	I	88.4	Confident	87.5	Confident	89 Å²	89	68.4 Å²	68.4	46%	0.456	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-32.1	174	-74.1	169.3	0	0	0	111.6	V373 V374 E375 R381	V373-I377 HydrophobicContact CG1-CD1 3.79Å; V373-I377 WeakPolarHBondContact O-CB 3.47Å; V373-I377 VanDerWaalsContact O-CD1 3.31Å; V373-I377 WeakPolarHBondContact O-CD1 3.2Å; V373-I377 WeakPolarHBondContact O-CG1 3.46Å; V373-I377 PolarHBondContact O-N 3.3Å; V373-I377 VanDerWaalsContact O-N 3.16Å; V374-I377 PolarHBondContact O-N 3.32Å; E375-I377 PolarHBondContact O-N 2.89Å; I377-R381 WeakPolarHBondContact O-CB 3.29Å; I377-R381 VanDerWaalsContact O-CG 3.23Å; I377-R381 WeakPolarHBondContact O-CG 3.4Å; I377-R381 PolarHBondContact O-N 3.29Å
378	L	86.4	Confident	87	Confident	71 Å²	71	68.5 Å²	68.5	37%	0.372	33%	0.331	S	S	.	.	H	α-helix	trans	-72.6	-48.9	174.5	-70.1	167.4	0	0	0	111.1	W87 V374 E375 E376 R381 I382	W87-L378 HydrophobicContact CE3-CD1 4.33Å; V374-L378 HydrophobicContact CG1-CD1 4.21Å; V374-L378 VanDerWaalsContact O-CG 3.29Å; V374-L378 WeakPolarHBondContact O-CG 3.34Å; V374-L378 PolarHBondContact O-N 2.88Å; V374-L378 VanDerWaalsContact O-N 3.12Å; E375-L378 WeakPolarHBondContact O-CB 3.37Å; E375-L378 PolarHBondContact O-N 2.83Å; E375-L378 VanDerWaalsContact O-N 3.07Å; E376-L378 VanDerWaalsContact C-N 3.26Å; E376-L378 PolarHBondContact O-N 2.84Å; L378-R381 PolarHBondContact O-N 3.48Å; L378-I382 WeakPolarHBondContact O-CD1 3.48Å; L378-I382 WeakPolarHBondContact O-CG1 3.44Å; L378-I382 PolarHBondContact O-N 3.39Å; L378-I382 VanDerWaalsContact O-N 3.14Å
379	E	84.8	Confident	86.4	Confident	12 Å²	12	75.8 Å²	75.8	6%	0.056	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-43.5	179.8	-61.5	-142	156.9	0	0	112.1	T89 T92 E375 E376 R381 I382 H383 Y387	T89-E379 WeakPolarHBondContact CB-OE1 3.5Å; T89-E379 PolarHBondContact OG1-OE1 3.27Å; T92-E379 HydrophobicContact CG2-CG 4.03Å; E375-E379 PolarHBondContact O-N 3.31Å; E376-E379 PolarHBondContact O-N 3.03Å; E379-R381 VanDerWaalsContact C-N 3.34Å; E379-R381 PolarHBondContact O-N 3.05Å; E379-I382 PolarHBondContact O-N 2.9Å; E379-I382 VanDerWaalsContact O-N 3.11Å; E379-H383 PolarHBondContact O-CD2 3.44Å; E379-H383 VanDerWaalsContact O-CD2 3.32Å; E379-H383 PolarHBondContact O-N 2.92Å; E379-Y387 HydrophobicContact CB-CD2 4.18Å; E379-Y387 HydrophobicContact CB-CE2 4.04Å
380	L	86.6	Confident	85.9	Confident	64 Å²	64	76.9 Å²	76.9	34%	0.335	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-35	178.8	-161.2	160.8	0	0	0	111.6	E376 K384 Y387 F388 I397	E376-L380 WeakPolarHBondContact O-CB 3.19Å; E376-L380 PolarHBondContact O-N 3.42Å; L380-K384 VanDerWaalsContact O-CA 3.26Å; L380-K384 WeakPolarHBondContact O-CA 3.44Å; L380-K384 PolarHBondContact O-N 3.32Å; L380-Y387 HydrophobicContact CB-CD2 4.46Å; L380-F388 HydrophobicContact CD1-CE2 4.45Å; L380-F388 HydrophobicContact CD1-CZ 4.03Å; L380-I397 HydrophobicContact CD1-CD1 4.19Å
381	R	86.3	Confident	85.4	Confident	195 Å²	195	77.3 Å²	77.3	74%	0.736	37%	0.372	S	S	*	.	H	α-helix	trans	-65.8	-34.5	171.8	-82.3	-179.7	178.6	-138.6	1.5	113.3	I377 L378 E379	I377-R381 WeakPolarHBondContact O-CB 3.29Å; I377-R381 VanDerWaalsContact O-CG 3.23Å; I377-R381 WeakPolarHBondContact O-CG 3.4Å; I377-R381 PolarHBondContact O-N 3.29Å; L378-R381 PolarHBondContact O-N 3.48Å; E379-R381 VanDerWaalsContact C-N 3.34Å; E379-R381 PolarHBondContact O-N 3.05Å
382	I	84.6	Confident	85	Confident	103 Å²	103	78.5 Å²	78.5	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-77.6	-52.7	-179.7	-68.1	164.1	0	0	0	110.6	T92 L378 E379	T92-I382 HydrophobicContact CG2-CD1 3.82Å; L378-I382 WeakPolarHBondContact O-CD1 3.48Å; L378-I382 WeakPolarHBondContact O-CG1 3.44Å; L378-I382 PolarHBondContact O-N 3.39Å; L378-I382 VanDerWaalsContact O-N 3.14Å; E379-I382 PolarHBondContact O-N 2.9Å; E379-I382 VanDerWaalsContact O-N 3.11Å
383	H	77.6	Confident	84.8	Confident	56 Å²	56	78.4 Å²	78.4	26%	0.259	38%	0.377	S	S	.	.	H	α-helix	trans	-92.8	-18	-170	-62.5	-73.3	0	0	0	114.3	E379 F385 A386	E379-H383 PolarHBondContact O-CD2 3.44Å; E379-H383 VanDerWaalsContact O-CD2 3.32Å; E379-H383 PolarHBondContact O-N 2.92Å; H383-F385 PolarHBondContact O-N 2.95Å; H383-A386 HydrophobicContact CB-CB 4.47Å; H383-A386 WeakPolarHBondContact O-CB 3.41Å; H383-A386 PolarHBondContact O-N 3.49Å
384	K	84.9	Confident	84.6	Confident	138 Å²	138	80.8 Å²	80.8	60%	0.6	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	49.1	-123.5	177.6	-55.9	178.7	-176.8	176.9	0	111.5	L380 A386 Y387	L380-K384 VanDerWaalsContact O-CA 3.26Å; L380-K384 WeakPolarHBondContact O-CA 3.44Å; L380-K384 PolarHBondContact O-N 3.32Å; K384-A386 PolarHBondContact O-N 2.82Å; K384-Y387 VanDerWaalsContact O-CB 3.27Å; K384-Y387 WeakPolarHBondContact O-CB 3.41Å; K384-Y387 PolarHBondContact O-N 3.03Å
385	F	78	Confident	84.5	Confident	184 Å²	184	78.8 Å²	78.8	81%	0.807	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-67.9	-13.4	-179.9	-65.3	-72.6	0	0	0	115.1	H383	H383-F385 PolarHBondContact O-N 2.95Å
386	A	81	Confident	84.5	Confident	62 Å²	62	77.8 Å²	77.8	51%	0.512	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-73.6	-29.7	174.5	0	0	0	0	0	112.2	H383 K384 F388 K389	H383-A386 HydrophobicContact CB-CB 4.47Å; H383-A386 WeakPolarHBondContact O-CB 3.41Å; H383-A386 PolarHBondContact O-N 3.49Å; K384-A386 PolarHBondContact O-N 2.82Å; A386-F388 PolarHBondContact O-N 3.2Å; A386-K389 PolarHBondContact O-N 2.89Å
387	Y	80.6	Confident	84.5	Confident	5 Å²	5	79.8 Å²	79.8	2%	0.02	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-55	-48.3	178.8	179.4	-82	0	0	0	111.9	E376 E379 L380 K384 K389 S390 N393 I397	E376-Y387 VanDerWaalsContact CD-OH 3.31Å; E376-Y387 VanDerWaalsContact OE2-CE2 3.24Å; E376-Y387 WeakPolarHBondContact OE2-CE2 3.31Å; E376-Y387 VanDerWaalsContact OE2-CZ 3.27Å; E376-Y387 PolarHBondContact OE2-OH 3.06Å; E379-Y387 HydrophobicContact CB-CD2 4.18Å; E379-Y387 HydrophobicContact CB-CE2 4.04Å; L380-Y387 HydrophobicContact CB-CD2 4.46Å; K384-Y387 VanDerWaalsContact O-CB 3.27Å; K384-Y387 WeakPolarHBondContact O-CB 3.41Å; K384-Y387 PolarHBondContact O-N 3.03Å; Y387-K389 PolarHBondContact O-N 2.71Å; Y387-S390 PolarHBondContact O-N 2.81Å; Y387-S390 VanDerWaalsContact O-N 3.12Å; Y387-N393 HydrophobicContact CD1-CB 4.07Å; Y387-N393 HydrophobicContact CD2-CB 4.38Å; Y387-N393 WeakPolarHBondContact CD2-ND2 3.21Å; Y387-N393 HydrophobicContact CE1-CB 3.63Å; Y387-N393 HydrophobicContact CE2-CB 4.01Å; Y387-N393 WeakPolarHBondContact CE2-ND2 3.07Å; Y387-N393 HydrophobicContact CG-CB 4.4Å; Y387-N393 PolarHBondContact OH-O 3.32Å; Y387-I397 HydrophobicContact CD1-CD1 4.41Å; Y387-I397 HydrophobicContact CE1-CD1 3.49Å; Y387-I397 VanDerWaalsContact CE1-CD1 3.49Å; Y387-I397 HydrophobicContact CE1-CG1 4.02Å
388	F	82.9	Confident	84.6	Confident	102 Å²	102	78.3 Å²	78.3	45%	0.447	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-68.8	3.6	-178.1	-65	-75	0	0	0	115.3	L380 A386 I397	L380-F388 HydrophobicContact CD1-CE2 4.45Å; L380-F388 HydrophobicContact CD1-CZ 4.03Å; A386-F388 PolarHBondContact O-N 3.2Å; F388-I397 HydrophobicContact CE1-CD1 3.8Å; F388-I397 HydrophobicContact CZ-CD1 4.29Å
389	K	81.6	Confident	84.8	Confident	186 Å²	186	75.2 Å²	75.2	81%	0.809	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-88.2	-14.8	170.3	-67.2	-169.2	173.4	-171.9	0	113.5	A386 Y387	A386-K389 PolarHBondContact O-N 2.89Å; Y387-K389 PolarHBondContact O-N 2.71Å
390	S	82.3	Confident	85.1	Confident	28 Å²	28	75.6 Å²	75.6	20%	0.196	36%	0.359	C	S	.	.			trans	-91.9	122.7	178.1	173.8	0	0	0	0	110.6	Y387 W392 N393 I394	Y387-S390 PolarHBondContact O-N 2.81Å; Y387-S390 VanDerWaalsContact O-N 3.12Å; S390-W392 VanDerWaalsContact C-N 3.26Å; S390-W392 PolarHBondContact O-N 3.08Å; S390-N393 WeakPolarHBondContact CB-OD1 3.15Å; S390-N393 PolarHBondContact O-N 2.96Å; S390-N393 PolarHBondContact OG-OD1 3.47Å; S390-I394 PolarHBondContact O-N 3.33Å
391	I	82.8	Confident	85.3	Confident	128 Å²	128	77.2 Å²	77.2	66%	0.656	37%	0.368	S	S	*	.	H	α-helix	trans	-60.1	-40.2	177.4	-61.8	172.1	0	0	0	110.5	N393 I394 M395	I391-N393 VanDerWaalsContact C-N 3.33Å; I391-N393 PolarHBondContact O-N 3.09Å; I391-I394 PolarHBondContact O-N 3.46Å; I391-M395 PolarHBondContact O-N 3.36Å
392	W	85.5	Confident	85.5	Confident	76 Å²	76	69.4 Å²	69.4	29%	0.288	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-44.9	177.6	-54.7	111	0	0	0	111.7	S390 I394 M395 D396 F460 K461	S390-W392 VanDerWaalsContact C-N 3.26Å; S390-W392 PolarHBondContact O-N 3.08Å; W392-I394 VanDerWaalsContact C-N 3.3Å; W392-I394 PolarHBondContact O-N 3.3Å; W392-M395 HydrophobicContact CE3-SD 4.35Å; W392-M395 CarbonylContact O-C 3.5Å; W392-M395 WeakPolarHBondContact O-CA 3.47Å; W392-M395 WeakPolarHBondContact O-CB 3.32Å; W392-M395 PolarHBondContact O-N 3.43Å; W392-D396 PolarHBondContact O-N 2.91Å; W392-F460 HydrophobicContact CH2-CB 3.84Å; W392-F460 HydrophobicContact CZ3-CB 4.34Å; W392-K461 HydrophobicContact CB-CD 3.94Å; W392-K461 HydrophobicContact CB-CG 4.25Å; W392-K461 HydrophobicContact CD2-CB 3.99Å; W392-K461 HydrophobicContact CD2-CD 4.48Å; W392-K461 HydrophobicContact CD2-CG 3.97Å; W392-K461 HydrophobicContact CE3-CB 3.81Å; W392-K461 HydrophobicContact CE3-CG 4.23Å; W392-K461 HydrophobicContact CG-CD 4.23Å; W392-K461 HydrophobicContact CG-CG 3.98Å; W392-K461 HydrophobicContact CZ3-CB 4.13Å
393	N	86.9	Confident	85.7	Confident	9 Å²	9	64.5 Å²	64.5	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-30.2	-180	-67.1	62.7	0	0	0	112.2	Y387 S390 I391 D396 I397	Y387-N393 HydrophobicContact CD1-CB 4.07Å; Y387-N393 HydrophobicContact CD2-CB 4.38Å; Y387-N393 WeakPolarHBondContact CD2-ND2 3.21Å; Y387-N393 HydrophobicContact CE1-CB 3.63Å; Y387-N393 HydrophobicContact CE2-CB 4.01Å; Y387-N393 WeakPolarHBondContact CE2-ND2 3.07Å; Y387-N393 HydrophobicContact CG-CB 4.4Å; Y387-N393 PolarHBondContact OH-O 3.32Å; S390-N393 WeakPolarHBondContact CB-OD1 3.15Å; S390-N393 PolarHBondContact O-N 2.96Å; S390-N393 PolarHBondContact OG-OD1 3.47Å; I391-N393 VanDerWaalsContact C-N 3.33Å; I391-N393 PolarHBondContact O-N 3.09Å; N393-D396 PolarHBondContact O-N 3.39Å; N393-I397 PolarHBondContact O-N 2.85Å; N393-I397 VanDerWaalsContact O-N 3.16Å
394	I	88.4	Confident	86.3	Confident	88 Å²	88	65.6 Å²	65.6	45%	0.451	32%	0.322	S	S	.	.	H	α-helix	trans	-68.3	-40.7	170.5	-63.6	168.2	0	0	0	110.7	S390 I391 W392 D396 L398	S390-I394 PolarHBondContact O-N 3.33Å; I391-I394 PolarHBondContact O-N 3.46Å; W392-I394 VanDerWaalsContact C-N 3.3Å; W392-I394 PolarHBondContact O-N 3.3Å; I394-D396 VanDerWaalsContact C-N 3.34Å; I394-L398 WeakPolarHBondContact O-CB 3.44Å; I394-L398 PolarHBondContact O-N 3.3Å
395	M	87.1	Confident	86.6	Confident	22 Å²	22	62.5 Å²	62.5	11%	0.108	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-37.6	173.2	-68.1	-176.4	56.4	0	0	112.5	I391 W392 L398 V399 F454 I457	I391-M395 PolarHBondContact O-N 3.36Å; W392-M395 HydrophobicContact CE3-SD 4.35Å; W392-M395 CarbonylContact O-C 3.5Å; W392-M395 WeakPolarHBondContact O-CA 3.47Å; W392-M395 WeakPolarHBondContact O-CB 3.32Å; W392-M395 PolarHBondContact O-N 3.43Å; M395-L398 PolarHBondContact O-N 2.94Å; M395-V399 WeakPolarHBondContact O-CG2 3.46Å; M395-V399 PolarHBondContact O-N 3.23Å; M395-F454 HydrophobicContact CE-CB 4.09Å; M395-F454 HydrophobicContact CE-CD1 3.95Å; M395-F454 HydrophobicContact CE-CG 4.47Å; M395-F454 VanDerWaalsContact CE-O 3.29Å; M395-F454 WeakPolarHBondContact CE-O 3.32Å; M395-I457 HydrophobicContact CE-CB 3.93Å; M395-I457 HydrophobicContact CE-CG2 3.69Å; M395-I457 HydrophobicContact SD-CG2 4.12Å
396	D	88.3	Confident	87.1	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-47.2	178.1	-66.9	-44.1	0	0	0	110.8	E376 W392 N393 I394 L398 I400 K458 K461	E376-D396 WeakPolarHBondContact OE1-CB 3.46Å; W392-D396 PolarHBondContact O-N 2.91Å; N393-D396 PolarHBondContact O-N 3.39Å; I394-D396 VanDerWaalsContact C-N 3.34Å; D396-L398 PolarHBondContact O-N 3.41Å; D396-I400 WeakPolarHBondContact O-CD1 3.44Å; D396-I400 WeakPolarHBondContact O-CG1 3.26Å; D396-I400 PolarHBondContact O-N 3.3Å; D396-K458 WeakPolarHBondContact OD1-CD 3.41Å; D396-K458 WeakPolarHBondContact OD1-CE 3.38Å; D396-K458 IonicContact OD1-NZ 3.67Å; D396-K458 PolarHBondContact OD1-NZ 3.47Å; D396-K461 IonicContact OD1-NZ 3.61Å; D396-K461 IonicContact OD2-NZ 3.83Å; D396-K461 PolarHBondContact OD2-NZ 3.27Å
397	I	90.5	Very high	87.5	Confident	57 Å²	57	53.4 Å²	53.4	29%	0.292	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-43.2	170.8	-71.3	-177.9	0	0	0	112	L380 Y387 F388 N393 I400 L401	L380-I397 HydrophobicContact CD1-CD1 4.19Å; Y387-I397 HydrophobicContact CD1-CD1 4.41Å; Y387-I397 HydrophobicContact CE1-CD1 3.49Å; Y387-I397 VanDerWaalsContact CE1-CD1 3.49Å; Y387-I397 HydrophobicContact CE1-CG1 4.02Å; F388-I397 HydrophobicContact CE1-CD1 3.8Å; F388-I397 HydrophobicContact CZ-CD1 4.29Å; N393-I397 PolarHBondContact O-N 2.85Å; N393-I397 VanDerWaalsContact O-N 3.16Å; I397-I400 PolarHBondContact O-N 3.35Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 PolarHBondContact O-N 2.95Å
398	L	90.3	Very high	88	Confident	58 Å²	58	57.8 Å²	57.8	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-46.4	-177.4	-179.1	60.9	0	0	0	111.9	I394 M395 D396 I400 L401 L402 F454	I394-L398 WeakPolarHBondContact O-CB 3.44Å; I394-L398 PolarHBondContact O-N 3.3Å; M395-L398 PolarHBondContact O-N 2.94Å; D396-L398 PolarHBondContact O-N 3.41Å; L398-I400 VanDerWaalsContact C-N 3.33Å; L398-I400 PolarHBondContact O-N 2.93Å; L398-L401 PolarHBondContact O-N 2.99Å; L398-L402 HydrophobicContact CD1-CD1 4.23Å; L398-L402 HydrophobicContact CD1-CG 4.25Å; L398-L402 HydrophobicContact CG-CD1 4.26Å; L398-L402 WeakPolarHBondContact O-CG 3.31Å; L398-L402 PolarHBondContact O-N 2.98Å; L398-F454 HydrophobicContact CD2-CD2 3.83Å; L398-F454 HydrophobicContact CD2-CE1 4.43Å; L398-F454 HydrophobicContact CD2-CE2 3.54Å; L398-F454 HydrophobicContact CD2-CG 4.39Å; L398-F454 HydrophobicContact CD2-CZ 3.88Å; L398-F454 HydrophobicContact CG-CD2 4.48Å; L398-F454 HydrophobicContact CG-CE2 4.48Å
399	V	90.3	Very high	88.3	Confident	6 Å²	6	54 Å²	54	4%	0.036	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-43.2	177.8	166.2	0	0	0	0	111.2	F116 M395 A403 N451 F454	F116-V399 HydrophobicContact CZ-CG1 4.42Å; M395-V399 WeakPolarHBondContact O-CG2 3.46Å; M395-V399 PolarHBondContact O-N 3.23Å; V399-A403 VanDerWaalsContact O-CB 3.27Å; V399-A403 WeakPolarHBondContact O-CB 3.42Å; V399-A403 PolarHBondContact O-N 3.28Å; V399-N451 WeakPolarHBondContact CA-OD1 3.42Å; V399-N451 WeakPolarHBondContact CG1-OD1 3.35Å; V399-F454 HydrophobicContact CG2-CB 3.98Å
400	I	91.4	Very high	88.5	Confident	20 Å²	20	46.1 Å²	46.1	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-43.6	177.6	-68.1	166.7	0	0	0	111.4	V373 E376 D396 I397 L398 A403 I404	V373-I400 HydrophobicContact CG2-CG2 3.5Å; V373-I400 VanDerWaalsContact CG2-CG2 3.5Å; E376-I400 HydrophobicContact CB-CD1 4.33Å; E376-I400 HydrophobicContact CG-CD1 3.47Å; E376-I400 VanDerWaalsContact CG-CD1 3.47Å; D396-I400 WeakPolarHBondContact O-CD1 3.44Å; D396-I400 WeakPolarHBondContact O-CG1 3.26Å; D396-I400 PolarHBondContact O-N 3.3Å; I397-I400 PolarHBondContact O-N 3.35Å; L398-I400 VanDerWaalsContact C-N 3.33Å; L398-I400 PolarHBondContact O-N 2.93Å; I400-A403 PolarHBondContact O-N 3.26Å; I400-I404 HydrophobicContact CG2-CD1 3.81Å; I400-I404 HydrophobicContact CG2-CG1 4.48Å; I400-I404 WeakPolarHBondContact O-CG1 3.5Å; I400-I404 PolarHBondContact O-N 3.18Å
401	L	91	Very high	88.8	Confident	98 Å²	98	48.9 Å²	48.9	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-48.4	179.2	-179.9	63.5	0	0	0	111.5	I397 L398 A403 I404 V405	I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 PolarHBondContact O-N 2.95Å; L398-L401 PolarHBondContact O-N 2.99Å; L401-A403 VanDerWaalsContact C-N 3.33Å; L401-A403 PolarHBondContact O-N 3.25Å; L401-I404 PolarHBondContact O-N 3.47Å; L401-V405 WeakPolarHBondContact O-CG2 3.43Å; L401-V405 PolarHBondContact O-N 3.18Å; L401-V405 VanDerWaalsContact O-N 3.16Å
402	L	89.5	Confident	89.1	Confident	30 Å²	30	47 Å²	47	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-38.7	177.6	-63.4	178.2	0	0	0	111.6	L398 V405 A406 M447 V450 N451	L398-L402 HydrophobicContact CD1-CD1 4.23Å; L398-L402 HydrophobicContact CD1-CG 4.25Å; L398-L402 HydrophobicContact CG-CD1 4.26Å; L398-L402 WeakPolarHBondContact O-CG 3.31Å; L398-L402 PolarHBondContact O-N 2.98Å; L402-V405 PolarHBondContact O-N 3.28Å; L402-A406 WeakPolarHBondContact O-CB 3.44Å; L402-A406 PolarHBondContact O-N 3.15Å; L402-M447 HydrophobicContact CB-CG 4.43Å; L402-M447 HydrophobicContact CD2-CG 3.89Å; L402-M447 HydrophobicContact CD2-SD 4.15Å; L402-V450 HydrophobicContact CD1-CG1 4.47Å; L402-N451 HydrophobicContact CB-CB 4.27Å; L402-N451 HydrophobicContact CD1-CB 4.16Å
403	A	89.2	Confident	89.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-40	176.2	0	0	0	0	0	113.3	F365 I369 V399 I400 L401 A406 I407	F365-A403 HydrophobicContact CE1-CB 4.27Å; F365-A403 HydrophobicContact CZ-CB 3.69Å; I369-A403 HydrophobicContact CD1-CB 3.42Å; I369-A403 VanDerWaalsContact CD1-CB 3.42Å; I369-A403 HydrophobicContact CG1-CB 3.85Å; I369-A403 HydrophobicContact CG2-CB 4.4Å; V399-A403 VanDerWaalsContact O-CB 3.27Å; V399-A403 WeakPolarHBondContact O-CB 3.42Å; V399-A403 PolarHBondContact O-N 3.28Å; I400-A403 PolarHBondContact O-N 3.26Å; L401-A403 VanDerWaalsContact C-N 3.33Å; L401-A403 PolarHBondContact O-N 3.25Å; A403-A406 WeakPolarHBondContact O-CB 3.44Å; A403-A406 PolarHBondContact O-N 2.72Å; A403-I407 WeakPolarHBondContact O-CG1 3.5Å; A403-I407 PolarHBondContact O-N 2.91Å
404	I	90.8	Very high	89.1	Confident	79 Å²	79	45.1 Å²	45.1	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-44.3	176	-69.5	166.1	0	0	0	110.6	I369 V373 I400 L401 A406 I407 V408	I369-I404 HydrophobicContact CG2-CG1 4.25Å; V373-I404 HydrophobicContact CG2-CD1 4.16Å; I400-I404 HydrophobicContact CG2-CD1 3.81Å; I400-I404 HydrophobicContact CG2-CG1 4.48Å; I400-I404 WeakPolarHBondContact O-CG1 3.5Å; I400-I404 PolarHBondContact O-N 3.18Å; L401-I404 PolarHBondContact O-N 3.47Å; I404-A406 VanDerWaalsContact C-N 3.28Å; I404-A406 PolarHBondContact O-N 3.13Å; I404-I407 PolarHBondContact O-N 3.29Å; I404-V408 WeakPolarHBondContact O-CG2 3.45Å; I404-V408 PolarHBondContact O-N 2.99Å; I404-V408 VanDerWaalsContact O-N 3.1Å
405	V	90.6	Very high	89.1	Confident	73 Å²	73	45.5 Å²	45.5	44%	0.442	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-38.9	174.9	177.4	0	0	0	0	110.9	L401 L402 V408 F409 M447	L401-V405 WeakPolarHBondContact O-CG2 3.43Å; L401-V405 PolarHBondContact O-N 3.18Å; L401-V405 VanDerWaalsContact O-N 3.16Å; L402-V405 PolarHBondContact O-N 3.28Å; V405-V408 PolarHBondContact O-N 3.32Å; V405-F409 WeakPolarHBondContact O-CB 3.38Å; V405-F409 PolarHBondContact O-N 3.4Å; V405-M447 HydrophobicContact CB-CE 4.2Å; V405-M447 HydrophobicContact CB-SD 4.09Å; V405-M447 HydrophobicContact CG1-CE 3.96Å; V405-M447 HydrophobicContact CG1-SD 3.76Å
406	A	88.4	Confident	89.1	Confident	3 Å²	3	49.6 Å²	49.6	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-45.8	176.2	0	0	0	0	0	112.5	L402 A403 I404 F409 N410 Y444 M447	L402-A406 WeakPolarHBondContact O-CB 3.44Å; L402-A406 PolarHBondContact O-N 3.15Å; A403-A406 WeakPolarHBondContact O-CB 3.44Å; A403-A406 PolarHBondContact O-N 2.72Å; I404-A406 VanDerWaalsContact C-N 3.28Å; I404-A406 PolarHBondContact O-N 3.13Å; A406-F409 PolarHBondContact O-N 3.4Å; A406-N410 WeakPolarHBondContact O-CB 3.42Å; A406-N410 PolarHBondContact O-N 2.73Å; A406-Y444 HydrophobicContact CB-CD2 4.45Å; A406-Y444 HydrophobicContact CB-CE2 3.69Å; A406-Y444 WeakPolarHBondContact O-CE2 3.22Å; A406-M447 HydrophobicContact CB-CE 3.76Å
407	I	88.9	Confident	89.1	Confident	53 Å²	53	49.7 Å²	49.7	27%	0.272	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-46.6	179	-67.4	163.7	0	0	0	110.6	F365 I369 A403 I404 F409 N410 V411	F365-I407 HydrophobicContact CD1-CD1 4.5Å; F365-I407 HydrophobicContact CE1-CD1 4.2Å; F365-I407 HydrophobicContact CE1-CG1 4.2Å; I369-I407 HydrophobicContact CB-CD1 4.47Å; I369-I407 HydrophobicContact CG2-CD1 4.37Å; A403-I407 WeakPolarHBondContact O-CG1 3.5Å; A403-I407 PolarHBondContact O-N 2.91Å; I404-I407 PolarHBondContact O-N 3.29Å; I407-F409 PolarHBondContact O-N 3.31Å; I407-N410 PolarHBondContact O-N 3.23Å; I407-V411 PolarHBondContact O-N 2.89Å
408	V	90.6	Very high	88.9	Confident	97 Å²	97	51.7 Å²	51.7	59%	0.588	27%	0.273	S	S	*	.	H	α-helix	trans	-60.7	-43.5	177.7	173.5	0	0	0	0	111.4	I404 V405 V411 F412	I404-V408 WeakPolarHBondContact O-CG2 3.45Å; I404-V408 PolarHBondContact O-N 2.99Å; I404-V408 VanDerWaalsContact O-N 3.1Å; V405-V408 PolarHBondContact O-N 3.32Å; V408-V411 PolarHBondContact O-N 3.38Å; V408-F412 PolarHBondContact O-N 2.83Å; V408-F412 VanDerWaalsContact O-N 3.09Å
409	F	89.4	Confident	88.7	Confident	23 Å²	23	54.2 Å²	54.2	10%	0.101	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-41	178.3	-177.6	-98.6	0	0	0	112.9	V405 A406 I407 V411 F412 R413 W440 Y444	V405-F409 WeakPolarHBondContact O-CB 3.38Å; V405-F409 PolarHBondContact O-N 3.4Å; A406-F409 PolarHBondContact O-N 3.4Å; I407-F409 PolarHBondContact O-N 3.31Å; F409-V411 VanDerWaalsContact C-N 3.26Å; F409-V411 PolarHBondContact O-N 2.92Å; F409-F412 HydrophobicContact CD2-CD1 4.31Å; F409-F412 HydrophobicContact CE2-CD1 4.16Å; F409-F412 PolarHBondContact O-N 3.41Å; F409-R413 HydrophobicContact CD1-CB 4.37Å; F409-R413 HydrophobicContact CE1-CB 3.87Å; F409-R413 HydrophobicContact CE1-CG 4.19Å; F409-R413 HydrophobicContact CE2-CB 4.48Å; F409-R413 HydrophobicContact CZ-CB 3.92Å; F409-R413 HydrophobicContact CZ-CG 4.19Å; F409-R413 WeakPolarHBondContact O-CB 3.2Å; F409-R413 PolarHBondContact O-N 2.98Å; F409-W440 HydrophobicContact CE2-CB 3.51Å; F409-W440 HydrophobicContact CE2-CG 4.22Å; F409-W440 HydrophobicContact CZ-CB 3.59Å; F409-Y444 HydrophobicContact CB-CD2 3.96Å; F409-Y444 HydrophobicContact CB-CE2 4.37Å; F409-Y444 AromaticContact CD1-CD2 3.25Å; F409-Y444 HydrophobicContact CD1-CD2 3.25Å; F409-Y444 AromaticContact CD1-CE2 3.96Å; F409-Y444 HydrophobicContact CD1-CE2 3.96Å; F409-Y444 AromaticContact CD1-CG 3.62Å; F409-Y444 HydrophobicContact CD1-CG 3.62Å; F409-Y444 HydrophobicContact CE1-CD2 4.1Å; F409-Y444 HydrophobicContact CE1-CG 4Å; F409-Y444 AromaticContact CG-CD2 3.9Å; F409-Y444 HydrophobicContact CG-CD2 3.9Å
410	N	86.5	Confident	88.5	Confident	20 Å²	20	55.9 Å²	55.9	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-38.2	-178.7	-165.1	44.2	0	0	0	111.8	E362 A406 I407 R413 T414	E362-N410 PolarHBondContact OE2-ND2 2.76Å; A406-N410 WeakPolarHBondContact O-CB 3.42Å; A406-N410 PolarHBondContact O-N 2.73Å; I407-N410 PolarHBondContact O-N 3.23Å; N410-R413 VanDerWaalsContact OD1-CZ 3.26Å; N410-R413 PolarHBondContact OD1-NH1 3.36Å; N410-R413 PolarHBondContact OD1-NH2 3.25Å; N410-T414 PolarHBondContact O-N 2.86Å; N410-T414 PolarHBondContact O-OG1 3.41Å
411	V	88.1	Confident	88.1	Confident	86 Å²	86	57 Å²	57	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-68.8	-51.3	173.3	178.2	0	0	0	0	111.3	I407 V408 F409 R413 T414 I415	I407-V411 PolarHBondContact O-N 2.89Å; V408-V411 PolarHBondContact O-N 3.38Å; F409-V411 VanDerWaalsContact C-N 3.26Å; F409-V411 PolarHBondContact O-N 2.92Å; V411-R413 PolarHBondContact O-N 2.91Å; V411-T414 PolarHBondContact O-N 3.23Å; V411-I415 HydrophobicContact CG1-CD1 4Å; V411-I415 PolarHBondContact O-N 2.73Å
412	F	89.2	Confident	87.8	Confident	89 Å²	89	53.8 Å²	53.8	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-57.5	-45.6	180	172.5	-98.2	0	0	0	112.6	V408 F409 T414 I415 K416 F436	V408-F412 PolarHBondContact O-N 2.83Å; V408-F412 VanDerWaalsContact O-N 3.09Å; F409-F412 HydrophobicContact CD2-CD1 4.31Å; F409-F412 HydrophobicContact CE2-CD1 4.16Å; F409-F412 PolarHBondContact O-N 3.41Å; F412-T414 PolarHBondContact O-N 3.01Å; F412-I415 PolarHBondContact O-N 3.19Å; F412-K416 HydrophobicContact CD1-CG 4.43Å; F412-K416 HydrophobicContact CD2-CG 4.46Å; F412-K416 HydrophobicContact CE1-CG 4Å; F412-K416 HydrophobicContact CE2-CG 4.03Å; F412-K416 HydrophobicContact CZ-CD 4.39Å; F412-K416 HydrophobicContact CZ-CG 3.79Å; F412-K416 WeakPolarHBondContact O-CG 3.32Å; F412-K416 PolarHBondContact O-N 3.04Å; F412-F436 HydrophobicContact CE1-CE1 4.44Å
413	R	87.3	Confident	87.6	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-49.3	177.7	-174.5	-156.9	67.3	-123.3	-18.4	110.9	F409 N410 V411 I415 K416 V417 L437	F409-R413 HydrophobicContact CD1-CB 4.37Å; F409-R413 HydrophobicContact CE1-CB 3.87Å; F409-R413 HydrophobicContact CE1-CG 4.19Å; F409-R413 HydrophobicContact CE2-CB 4.48Å; F409-R413 HydrophobicContact CZ-CB 3.92Å; F409-R413 HydrophobicContact CZ-CG 4.19Å; F409-R413 WeakPolarHBondContact O-CB 3.2Å; F409-R413 PolarHBondContact O-N 2.98Å; N410-R413 VanDerWaalsContact OD1-CZ 3.26Å; N410-R413 PolarHBondContact OD1-NH1 3.36Å; N410-R413 PolarHBondContact OD1-NH2 3.25Å; V411-R413 PolarHBondContact O-N 2.91Å; R413-I415 PolarHBondContact O-N 3.19Å; R413-K416 CarbonylContact O-C 3.58Å; R413-K416 PolarHBondContact O-N 2.86Å; R413-V417 HydrophobicContact CG-CG2 4.26Å; R413-V417 WeakPolarHBondContact O-CG2 3.29Å; R413-V417 PolarHBondContact O-N 2.88Å; R413-L437 HydrophobicContact CG-CD1 3.68Å
414	T	85.8	Confident	87.4	Confident	43 Å²	43	55.4 Å²	55.4	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-48.2	-176	-53.7	0	0	0	0	110.6	N410 V411 F412 K416 V417 D418	N410-T414 PolarHBondContact O-N 2.86Å; N410-T414 PolarHBondContact O-OG1 3.41Å; V411-T414 PolarHBondContact O-N 3.23Å; F412-T414 PolarHBondContact O-N 3.01Å; T414-K416 VanDerWaalsContact C-N 3.28Å; T414-K416 PolarHBondContact O-N 2.89Å; T414-V417 PolarHBondContact O-N 2.93Å; T414-D418 PolarHBondContact O-N 3.15Å; T414-D418 VanDerWaalsContact O-N 3.16Å
415	I	88	Confident	87	Confident	97 Å²	97	58.4 Å²	58.4	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-39.5	174.5	-62.1	167.3	0	0	0	111.5	V411 F412 R413 N419	V411-I415 HydrophobicContact CG1-CD1 4Å; V411-I415 PolarHBondContact O-N 2.73Å; F412-I415 PolarHBondContact O-N 3.19Å; R413-I415 PolarHBondContact O-N 3.19Å; I415-N419 PolarHBondContact O-N 3.42Å; I415-N419 PolarHBondContact O-ND2 2.99Å
416	K	87.6	Confident	86.7	Confident	107 Å²	107	62.6 Å²	62.6	47%	0.465	34%	0.336	S	S	.	.	H	α-helix	trans	-71.8	-36.2	178.5	-76.3	-67	-170.5	175.2	0	113.9	F412 R413 T414 L420 L437	F412-K416 HydrophobicContact CD1-CG 4.43Å; F412-K416 HydrophobicContact CD2-CG 4.46Å; F412-K416 HydrophobicContact CE1-CG 4Å; F412-K416 HydrophobicContact CE2-CG 4.03Å; F412-K416 HydrophobicContact CZ-CD 4.39Å; F412-K416 HydrophobicContact CZ-CG 3.79Å; F412-K416 WeakPolarHBondContact O-CG 3.32Å; F412-K416 PolarHBondContact O-N 3.04Å; R413-K416 CarbonylContact O-C 3.58Å; R413-K416 PolarHBondContact O-N 2.86Å; T414-K416 VanDerWaalsContact C-N 3.28Å; T414-K416 PolarHBondContact O-N 2.89Å; K416-L420 WeakPolarHBondContact O-CB 3.38Å; K416-L420 PolarHBondContact O-N 3.39Å; K416-L437 HydrophobicContact CB-CD1 4.25Å
417	V	86.9	Confident	86.5	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-54.5	173.5	171.6	0	0	0	0	109.7	L347 I348 R413 T414 N419 L420 L421 L437	L347-V417 HydrophobicContact CB-CG1 4.36Å; L347-V417 HydrophobicContact CB-CG2 4.01Å; L347-V417 HydrophobicContact CD2-CG2 4.45Å; I348-V417 HydrophobicContact CG1-CG1 4.49Å; R413-V417 HydrophobicContact CG-CG2 4.26Å; R413-V417 WeakPolarHBondContact O-CG2 3.29Å; R413-V417 PolarHBondContact O-N 2.88Å; T414-V417 PolarHBondContact O-N 2.93Å; V417-N419 VanDerWaalsContact C-N 3.35Å; V417-N419 PolarHBondContact O-N 3.18Å; V417-L420 PolarHBondContact O-N 3.48Å; V417-L421 VanDerWaalsContact O-CB 3.31Å; V417-L421 WeakPolarHBondContact O-CB 3.1Å; V417-L421 PolarHBondContact O-N 3.24Å; V417-L437 HydrophobicContact CG2-CD2 3.78Å
418	D	86.3	Confident	86.2	Confident	99 Å²	99	68.6 Å²	68.6	53%	0.529	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-40.3	-171.2	-59.6	-23.6	0	0	0	111.8	T414 G422	T414-D418 PolarHBondContact O-N 3.15Å; T414-D418 VanDerWaalsContact O-N 3.16Å; D418-G422 PolarHBondContact O-N 3.22Å
419	N	87.3	Confident	85.8	Confident	111 Å²	111	69.1 Å²	69.1	59%	0.594	37%	0.367	S	S	*	.	H	α-helix	trans	-65.6	-44.6	176	-80.3	-84.6	0	0	0	112.7	I415 V417 S423	I415-N419 PolarHBondContact O-N 3.42Å; I415-N419 PolarHBondContact O-ND2 2.99Å; V417-N419 VanDerWaalsContact C-N 3.35Å; V417-N419 PolarHBondContact O-N 3.18Å; N419-S423 PolarHBondContact O-N 3.43Å
420	L	84.9	Confident	85.7	Confident	41 Å²	41	71.9 Å²	71.9	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-69.9	-44.5	-178.4	-175.4	63.8	0	0	0	111.2	K416 V417 G422 S423 L424 A432 D433 F434	K416-L420 WeakPolarHBondContact O-CB 3.38Å; K416-L420 PolarHBondContact O-N 3.39Å; V417-L420 PolarHBondContact O-N 3.48Å; L420-G422 VanDerWaalsContact C-N 3.34Å; L420-G422 PolarHBondContact O-N 3.13Å; L420-S423 PolarHBondContact O-N 3.21Å; L420-S423 PolarHBondContact O-OG 3.11Å; L420-L424 PolarHBondContact O-N 3.47Å; L420-A432 HydrophobicContact CD1-CB 4.12Å; L420-A432 HydrophobicContact CG-CB 4.48Å; L420-D433 WeakPolarHBondContact CD2-O 3.43Å; L420-F434 HydrophobicContact CD2-CD1 3.65Å; L420-F434 HydrophobicContact CD2-CE1 3.76Å; L420-F434 HydrophobicContact CD2-CG 4.09Å; L420-F434 HydrophobicContact CD2-CZ 4.29Å; L420-F434 HydrophobicContact CG-CE1 4.31Å
421	L	84.4	Confident	85.8	Confident	43 Å²	43	72 Å²	72	23%	0.225	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-38.4	177.8	-173.3	62.4	0	0	0	111.7	I348 V417 L424 L425	I348-L421 HydrophobicContact CD1-CD2 3.92Å; I348-L421 HydrophobicContact CG1-CD2 4.46Å; V417-L421 VanDerWaalsContact O-CB 3.31Å; V417-L421 WeakPolarHBondContact O-CB 3.1Å; V417-L421 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.12Å; L421-L425 HydrophobicContact CG-CD1 4.36Å; L421-L425 WeakPolarHBondContact O-CG 3.33Å; L421-L425 PolarHBondContact O-N 3.12Å; L421-L425 VanDerWaalsContact O-N 3.15Å
422	G	84.9	Confident	85.5	Confident	31 Å²	31	68.4 Å²	68.4	32%	0.32	36%	0.361	S	S	.	.	H	α-helix	trans	-56	-50.5	171.9	0	0	0	0	0	112.3	D418 L420 L424 L425 E426	D418-G422 PolarHBondContact O-N 3.22Å; L420-G422 VanDerWaalsContact C-N 3.34Å; L420-G422 PolarHBondContact O-N 3.13Å; G422-L424 VanDerWaalsContact C-N 3.29Å; G422-L424 PolarHBondContact O-N 3.44Å; G422-L425 PolarHBondContact O-N 3.19Å; G422-L425 VanDerWaalsContact O-N 3.13Å; G422-E426 PolarHBondContact O-N 2.89Å
423	S	85.4	Confident	85.3	Confident	49 Å²	49	65.8 Å²	65.8	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-31.4	180	63	0	0	0	0	114.3	N419 L420 Q427	N419-S423 PolarHBondContact O-N 3.43Å; L420-S423 PolarHBondContact O-N 3.21Å; L420-S423 PolarHBondContact O-OG 3.11Å; S423-Q427 PolarHBondContact O-N 3.01Å
424	L	83.6	Confident	85.4	Confident	16 Å²	16	65.9 Å²	65.9	8%	0.084	35%	0.351	C	S	.	.	H	α-helix	trans	-71.6	-34.4	174.5	-86.2	169.5	0	0	0	113.7	L420 L421 G422 E426 Q427 P428 A432 F434	L420-L424 PolarHBondContact O-N 3.47Å; L421-L424 PolarHBondContact O-N 3.12Å; G422-L424 VanDerWaalsContact C-N 3.29Å; G422-L424 PolarHBondContact O-N 3.44Å; L424-E426 VanDerWaalsContact C-N 3.27Å; L424-Q427 CarbonylContact O-C 2.95Å; L424-Q427 VanDerWaalsContact O-C 3.31Å; L424-Q427 PolarHBondContact O-N 2.87Å; L424-P428 WeakPolarHBondContact O-CA 3.35Å; L424-A432 HydrophobicContact CD1-CB 3.58Å; L424-A432 HydrophobicContact CD2-CB 3.68Å; L424-A432 HydrophobicContact CG-CB 3.72Å; L424-F434 HydrophobicContact CD1-CE2 3.44Å; L424-F434 VanDerWaalsContact CD1-CE2 3.44Å; L424-F434 HydrophobicContact CD1-CZ 3.45Å; L424-F434 VanDerWaalsContact CD1-CZ 3.45Å
425	L	82	Confident	85.5	Confident	141 Å²	141	64.1 Å²	64.1	74%	0.738	34%	0.34	S	S	*	.	H	α-helix	trans	-72.6	-24.6	177.4	-67.5	170.5	0	0	0	111.7	L421 G422	L421-L425 HydrophobicContact CG-CD1 4.36Å; L421-L425 WeakPolarHBondContact O-CG 3.33Å; L421-L425 PolarHBondContact O-N 3.12Å; L421-L425 VanDerWaalsContact O-N 3.15Å; G422-L425 PolarHBondContact O-N 3.19Å; G422-L425 VanDerWaalsContact O-N 3.13Å
426	E	86	Confident	85.5	Confident	161 Å²	161	63.1 Å²	63.1	75%	0.752	33%	0.333	S	S	*	.	H	α-helix	trans	-80.5	-36.9	170.6	-67	179.8	177.8	0	0	112.8	G422 L424	G422-E426 PolarHBondContact O-N 2.89Å; L424-E426 VanDerWaalsContact C-N 3.27Å
427	Q	84.1	Confident	85.5	Confident	120 Å²	120	58.4 Å²	58.4	56%	0.561	31%	0.312	S	S	*	.			trans	-134.1	87.4	-177.3	-65	-171.1	-3.8	0	0	111.9	S423 L424 D429 L430	S423-Q427 PolarHBondContact O-N 3.01Å; L424-Q427 CarbonylContact O-C 2.95Å; L424-Q427 VanDerWaalsContact O-C 3.31Å; L424-Q427 PolarHBondContact O-N 2.87Å; Q427-D429 VanDerWaalsContact C-N 3.27Å; Q427-D429 PolarHBondContact O-N 2.78Å; Q427-L430 HydrophobicContact CB-CB 4.43Å; Q427-L430 PolarHBondContact O-N 3.26Å
428	P	81.3	Confident	85.7	Confident	63 Å²	63	58.2 Å²	58.2	41%	0.409	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.8	-172.8	33.5	-38.4	0	0	0	114.5	L424	L424-P428 WeakPolarHBondContact O-CA 3.35Å
429	D	83.6	Confident	85.9	Confident	107 Å²	107	57.1 Å²	57.1	57%	0.572	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	3	179.3	-53.3	-42.2	0	0	0	112.5	R282 Q427	R282-D429 WeakPolarHBondContact CD-OD1 3.42Å; R282-D429 IonicContact CZ-OD1 2.71Å; R282-D429 IonicContact NE-OD1 3.69Å; R282-D429 IonicContact NH1-OD1 3.15Å; R282-D429 PolarHBondContact NH1-OD1 3.48Å; Q427-D429 VanDerWaalsContact C-N 3.27Å; Q427-D429 PolarHBondContact O-N 2.78Å
430	L	86.9	Confident	85.9	Confident	82 Å²	82	57.2 Å²	57.2	43%	0.429	29%	0.294	S	S	.	.	S	Bend	trans	-92.1	142.3	179.5	-162.8	81.9	0	0	0	111.3	G202 Q427	G202-L430 WeakPolarHBondContact CA-O 3.43Å; Q427-L430 HydrophobicContact CB-CB 4.43Å; Q427-L430 PolarHBondContact O-N 3.26Å
431	Y	87.6	Confident	86.2	Confident	23 Å²	23	55.6 Å²	55.6	9%	0.09	29%	0.285	C	S	.	.			trans	-65.7	139.5	161.9	170.1	-92.7	0	0	0	110.9	V203 R205 D310 D433	V203-Y431 WeakPolarHBondContact O-CD2 3.37Å; R205-Y431 HydrophobicContact CB-CD1 4.37Å; R205-Y431 HydrophobicContact CB-CD2 3.41Å; R205-Y431 VanDerWaalsContact CB-CD2 3.41Å; R205-Y431 HydrophobicContact CB-CE2 3.69Å; R205-Y431 HydrophobicContact CB-CG 3.8Å; D310-Y431 HydrophobicContact CB-CE2 4.12Å; Y431-D433 HydrophobicContact CE1-CB 3.96Å
432	A	82.9	Confident	86.4	Confident	10 Å²	10	55.2 Å²	55.2	8%	0.083	29%	0.285	C	S	.	.			trans	-123.6	126.6	173.1	0	0	0	0	0	112.3	L420 L424 F434	L420-A432 HydrophobicContact CD1-CB 4.12Å; L420-A432 HydrophobicContact CG-CB 4.48Å; L424-A432 HydrophobicContact CD1-CB 3.58Å; L424-A432 HydrophobicContact CD2-CB 3.68Å; L424-A432 HydrophobicContact CG-CB 3.72Å; A432-F434 HydrophobicContact CB-CD2 4.25Å; A432-F434 HydrophobicContact CB-CE2 4.05Å; A432-F434 PolarHBondContact O-N 3.1Å
433	D	84.3	Confident	86.6	Confident	34 Å²	34	57.4 Å²	57.4	18%	0.182	29%	0.287	C	S	.	.			trans	-76.4	87.1	175.2	-172.3	-3.9	0	0	0	111.5	L420 Y431 E435 F436	L420-D433 WeakPolarHBondContact CD2-O 3.43Å; Y431-D433 HydrophobicContact CE1-CB 3.96Å; D433-E435 VanDerWaalsContact C-N 3.31Å; D433-E435 WeakPolarHBondContact OD1-CA 3.37Å; D433-E435 WeakPolarHBondContact OD1-CB 3.41Å; D433-E435 PolarHBondContact OD1-N 3.35Å; D433-F436 PolarHBondContact OD1-N 3.27Å
434	F	88.9	Confident	86.8	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	27%	0.274	C	S	.	.			trans	-81.6	-8.4	164	-72.6	-75.6	0	0	0	113.2	L201 F321 V323 L347 L420 L424 A432 L437 A438	L201-F434 HydrophobicContact CB-CE2 4.4Å; L201-F434 HydrophobicContact CD1-CD2 4.31Å; L201-F434 HydrophobicContact CD1-CE2 3.6Å; L201-F434 HydrophobicContact CD1-CZ 4Å; F321-F434 HydrophobicContact CD1-CE1 4.29Å; F321-F434 HydrophobicContact CD1-CZ 4.38Å; F321-F434 HydrophobicContact CE1-CE1 4.12Å; F321-F434 HydrophobicContact CE1-CZ 4.08Å; V323-F434 HydrophobicContact CG2-CB 3.69Å; L347-F434 HydrophobicContact CD1-CD1 3.62Å; L347-F434 HydrophobicContact CD1-CE1 3.94Å; L420-F434 HydrophobicContact CD2-CD1 3.65Å; L420-F434 HydrophobicContact CD2-CE1 3.76Å; L420-F434 HydrophobicContact CD2-CG 4.09Å; L420-F434 HydrophobicContact CD2-CZ 4.29Å; L420-F434 HydrophobicContact CG-CE1 4.31Å; L424-F434 HydrophobicContact CD1-CE2 3.44Å; L424-F434 VanDerWaalsContact CD1-CE2 3.44Å; L424-F434 HydrophobicContact CD1-CZ 3.45Å; L424-F434 VanDerWaalsContact CD1-CZ 3.45Å; A432-F434 HydrophobicContact CB-CD2 4.25Å; A432-F434 HydrophobicContact CB-CE2 4.05Å; A432-F434 PolarHBondContact O-N 3.1Å; F434-L437 HydrophobicContact CD1-CD2 4.34Å; F434-L437 WeakPolarHBondContact O-CB 3.37Å; F434-L437 PolarHBondContact O-N 2.81Å; F434-A438 WeakPolarHBondContact O-CB 3.25Å; F434-A438 PolarHBondContact O-N 3.02Å
435	E	88.8	Confident	87.1	Confident	6 Å²	6	58 Å²	58	3%	0.028	28%	0.284	C	S	.	.	H	α-helix	trans	-75.1	-39.8	-173.4	163.6	62.6	170.2	0	0	112.1	V323 R325 R343 D433 L437 A438 F439	V323-E435 HydrophobicContact CG1-CB 3.83Å; R325-E435 VanDerWaalsContact CZ-CG 3.49Å; R325-E435 IonicContact CZ-OE1 2.72Å; R325-E435 IonicContact NE-OE1 2.89Å; R325-E435 IonicContact NH1-OE1 3.34Å; R325-E435 PolarHBondContact NH1-OE1 3.16Å; R343-E435 IonicContact CZ-OE1 2.89Å; R343-E435 IonicContact CZ-OE2 2.68Å; R343-E435 IonicContact NH1-OE1 2.99Å; R343-E435 PolarHBondContact NH1-OE1 3.35Å; R343-E435 IonicContact NH1-OE2 3.17Å; R343-E435 PolarHBondContact NH1-OE2 2.98Å; D433-E435 VanDerWaalsContact C-N 3.31Å; D433-E435 WeakPolarHBondContact OD1-CA 3.37Å; D433-E435 WeakPolarHBondContact OD1-CB 3.41Å; D433-E435 PolarHBondContact OD1-N 3.35Å; E435-L437 PolarHBondContact O-N 3Å; E435-A438 PolarHBondContact O-N 3.39Å; E435-F439 VanDerWaalsContact O-CB 3.28Å; E435-F439 WeakPolarHBondContact O-CB 3.46Å; E435-F439 PolarHBondContact O-N 3.19Å
436	F	87.8	Confident	87.5	Confident	77 Å²	77	55.2 Å²	55.2	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-53.1	-43.1	168.7	177.3	-91.6	0	0	0	111	F412 D433 W440	F412-F436 HydrophobicContact CE1-CE1 4.44Å; D433-F436 PolarHBondContact OD1-N 3.27Å; F436-W440 AromaticContact CD1-CD1 3.97Å; F436-W440 AromaticContact CD2-NE1 4Å; F436-W440 AromaticContact CE1-CD1 3.62Å; F436-W440 AromaticContact CE1-NE1 3.88Å; F436-W440 AromaticContact CE2-CD1 3.76Å; F436-W440 AromaticContact CE2-NE1 3.33Å; F436-W440 VanDerWaalsContact CE2-NE1 3.33Å; F436-W440 AromaticContact CZ-CD1 3.52Å; F436-W440 AromaticContact CZ-NE1 3.25Å; F436-W440 VanDerWaalsContact CZ-NE1 3.25Å; F436-W440 PolarHBondContact O-N 3.46Å
437	L	88.4	Confident	87.6	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-71.7	-39.9	-178.7	-171	62.8	0	0	0	112.5	L347 R413 K416 V417 F434 E435 Q441	L347-L437 HydrophobicContact CD1-CD2 3.91Å; L347-L437 HydrophobicContact CD2-CD2 3.97Å; L347-L437 HydrophobicContact CD2-CG 4Å; R413-L437 HydrophobicContact CG-CD1 3.68Å; K416-L437 HydrophobicContact CB-CD1 4.25Å; V417-L437 HydrophobicContact CG2-CD2 3.78Å; F434-L437 HydrophobicContact CD1-CD2 4.34Å; F434-L437 WeakPolarHBondContact O-CB 3.37Å; F434-L437 PolarHBondContact O-N 2.81Å; E435-L437 PolarHBondContact O-N 3Å; L437-Q441 WeakPolarHBondContact O-CB 3.11Å; L437-Q441 PolarHBondContact O-N 3.23Å
438	A	90.2	Very high	87.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.6	-36.8	177.1	0	0	0	0	0	112.4	V323 R343 V345 F434 E435 Q441 T442	V323-A438 HydrophobicContact CB-CB 4.13Å; V323-A438 HydrophobicContact CG2-CB 3.75Å; R343-A438 HydrophobicContact CB-CB 4.17Å; V345-A438 HydrophobicContact CG1-CB 4.46Å; V345-A438 HydrophobicContact CG2-CB 4.11Å; F434-A438 WeakPolarHBondContact O-CB 3.25Å; F434-A438 PolarHBondContact O-N 3.02Å; E435-A438 PolarHBondContact O-N 3.39Å; A438-Q441 PolarHBondContact O-N 2.84Å; A438-T442 WeakPolarHBondContact O-CB 3.4Å; A438-T442 PolarHBondContact O-N 2.86Å; A438-T442 PolarHBondContact O-OG1 2.94Å
439	F	90	Very high	88.4	Confident	76 Å²	76	44.3 Å²	44.3	33%	0.333	23%	0.225	S	C	.	.	H	α-helix	trans	-55.3	-56.9	169.5	174.7	-89.9	0	0	0	110.3	E435 Q441 T442 Q443	E435-F439 VanDerWaalsContact O-CB 3.28Å; E435-F439 WeakPolarHBondContact O-CB 3.46Å; E435-F439 PolarHBondContact O-N 3.19Å; F439-Q441 PolarHBondContact O-N 2.83Å; F439-T442 WeakPolarHBondContact O-CA 3.43Å; F439-T442 VanDerWaalsContact O-CB 3.31Å; F439-T442 WeakPolarHBondContact O-CB 3.43Å; F439-T442 PolarHBondContact O-N 3.44Å; F439-Q443 HydrophobicContact CD1-CG 4.21Å; F439-Q443 HydrophobicContact CE1-CG 3.77Å; F439-Q443 HydrophobicContact CE2-CG 4.46Å; F439-Q443 HydrophobicContact CZ-CG 3.91Å; F439-Q443 WeakPolarHBondContact O-CG 3.12Å; F439-Q443 PolarHBondContact O-N 3.28Å
440	W	88.9	Confident	88.7	Confident	113 Å²	113	42.6 Å²	42.6	43%	0.428	22%	0.218	S	C	.	.	H	α-helix	trans	-66.1	-35.3	-178.3	-79	107.5	0	0	0	113.1	F409 F436 T442 Q443 Y444	F409-W440 HydrophobicContact CE2-CB 3.51Å; F409-W440 HydrophobicContact CE2-CG 4.22Å; F409-W440 HydrophobicContact CZ-CB 3.59Å; F436-W440 AromaticContact CD1-CD1 3.97Å; F436-W440 AromaticContact CD2-NE1 4Å; F436-W440 AromaticContact CE1-CD1 3.62Å; F436-W440 AromaticContact CE1-NE1 3.88Å; F436-W440 AromaticContact CE2-CD1 3.76Å; F436-W440 AromaticContact CE2-NE1 3.33Å; F436-W440 VanDerWaalsContact CE2-NE1 3.33Å; F436-W440 AromaticContact CZ-CD1 3.52Å; F436-W440 AromaticContact CZ-NE1 3.25Å; F436-W440 VanDerWaalsContact CZ-NE1 3.25Å; F436-W440 PolarHBondContact O-N 3.46Å; W440-T442 VanDerWaalsContact C-N 3.29Å; W440-T442 PolarHBondContact O-N 3.37Å; W440-Q443 PolarHBondContact O-N 3.23Å; W440-Y444 WeakPolarHBondContact O-CB 3.45Å; W440-Y444 PolarHBondContact O-N 3.46Å
441	Q	89.4	Confident	88.9	Confident	6 Å²	6	39 Å²	39	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-30.1	172.1	-177	57.4	71.2	0	0	112.2	V345 L437 A438 F439 N445	V345-Q441 HydrophobicContact CB-CG 4.25Å; V345-Q441 HydrophobicContact CG1-CB 4.18Å; V345-Q441 HydrophobicContact CG1-CG 3.86Å; L437-Q441 WeakPolarHBondContact O-CB 3.11Å; L437-Q441 PolarHBondContact O-N 3.23Å; A438-Q441 PolarHBondContact O-N 2.84Å; F439-Q441 PolarHBondContact O-N 2.83Å; Q441-N445 PolarHBondContact NE2-OD1 3.46Å; Q441-N445 PolarHBondContact O-N 3.48Å; Q441-N445 PolarHBondContact O-OD1 3.37Å
442	T	89.3	Confident	89.1	Confident	36 Å²	36	39.3 Å²	39.3	22%	0.221	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-46.9	171.4	-53.9	0	0	0	0	110.7	R343 A438 F439 W440 Y444 N445 N446	R343-T442 WeakPolarHBondContact CD-OG1 3.34Å; R343-T442 PolarHBondContact NE-OG1 2.93Å; R343-T442 VanDerWaalsContact NE-OG1 3.12Å; A438-T442 WeakPolarHBondContact O-CB 3.4Å; A438-T442 PolarHBondContact O-N 2.86Å; A438-T442 PolarHBondContact O-OG1 2.94Å; F439-T442 WeakPolarHBondContact O-CA 3.43Å; F439-T442 VanDerWaalsContact O-CB 3.31Å; F439-T442 WeakPolarHBondContact O-CB 3.43Å; F439-T442 PolarHBondContact O-N 3.44Å; W440-T442 VanDerWaalsContact C-N 3.29Å; W440-T442 PolarHBondContact O-N 3.37Å; T442-Y444 VanDerWaalsContact C-N 3.3Å; T442-Y444 PolarHBondContact O-N 2.9Å; T442-N445 WeakPolarHBondContact O-CB 3.38Å; T442-N445 PolarHBondContact O-N 2.71Å; T442-N445 VanDerWaalsContact O-N 3.13Å; T442-N446 VanDerWaalsContact O-CG 3.24Å; T442-N446 PolarHBondContact O-N 3.38Å; T442-N446 PolarHBondContact O-ND2 3.15Å; T442-N446 PolarHBondContact O-OD1 3.23Å
443	Q	90	Very high	89.5	Confident	77 Å²	77	44.8 Å²	44.8	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-35.9	177.1	-57.9	-54.5	-8.2	0	0	112.4	F439 W440 N446 M447	F439-Q443 HydrophobicContact CD1-CG 4.21Å; F439-Q443 HydrophobicContact CE1-CG 3.77Å; F439-Q443 HydrophobicContact CE2-CG 4.46Å; F439-Q443 HydrophobicContact CZ-CG 3.91Å; F439-Q443 WeakPolarHBondContact O-CG 3.12Å; F439-Q443 PolarHBondContact O-N 3.28Å; W440-Q443 PolarHBondContact O-N 3.23Å; Q443-N446 PolarHBondContact O-N 2.82Å; Q443-N446 PolarHBondContact OE1-ND2 3.24Å; Q443-M447 VanDerWaalsContact O-CB 3.3Å; Q443-M447 WeakPolarHBondContact O-CB 3.26Å; Q443-M447 PolarHBondContact O-N 3.4Å
444	Y	88.8	Confident	89.9	Confident	21 Å²	21	45.7 Å²	45.7	8%	0.082	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-44.2	170.9	175.6	-86.5	0	0	0	112.3	M127 A406 F409 W440 T442 M447 N448	M127-Y444 HydrophobicContact CE-CD1 4.03Å; M127-Y444 HydrophobicContact CE-CE1 3.63Å; M127-Y444 HydrophobicContact SD-CE1 3.73Å; A406-Y444 HydrophobicContact CB-CD2 4.45Å; A406-Y444 HydrophobicContact CB-CE2 3.69Å; A406-Y444 WeakPolarHBondContact O-CE2 3.22Å; F409-Y444 HydrophobicContact CB-CD2 3.96Å; F409-Y444 HydrophobicContact CB-CE2 4.37Å; F409-Y444 AromaticContact CD1-CD2 3.25Å; F409-Y444 HydrophobicContact CD1-CD2 3.25Å; F409-Y444 AromaticContact CD1-CE2 3.96Å; F409-Y444 HydrophobicContact CD1-CE2 3.96Å; F409-Y444 AromaticContact CD1-CG 3.62Å; F409-Y444 HydrophobicContact CD1-CG 3.62Å; F409-Y444 HydrophobicContact CE1-CD2 4.1Å; F409-Y444 HydrophobicContact CE1-CG 4Å; F409-Y444 AromaticContact CG-CD2 3.9Å; F409-Y444 HydrophobicContact CG-CD2 3.9Å; W440-Y444 WeakPolarHBondContact O-CB 3.45Å; W440-Y444 PolarHBondContact O-N 3.46Å; T442-Y444 VanDerWaalsContact C-N 3.3Å; T442-Y444 PolarHBondContact O-N 2.9Å; Y444-M447 HydrophobicContact CD2-CE 4.3Å; Y444-M447 PolarHBondContact O-N 2.75Å; Y444-N448 WeakPolarHBondContact CE1-ND2 3.4Å; Y444-N448 VanDerWaalsContact CZ-ND2 3.26Å; Y444-N448 WeakPolarHBondContact O-CB 3.49Å; Y444-N448 PolarHBondContact O-N 3.29Å; Y444-N448 PolarHBondContact OH-ND2 3.06Å
445	N	89.3	Confident	89.9	Confident	55 Å²	55	45.7 Å²	45.7	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-44.8	175.9	-71	-2.2	0	0	0	111.2	M127 Q441 T442 M447 N448 A449	M127-N445 WeakPolarHBondContact CE-OD1 3.4Å; Q441-N445 PolarHBondContact NE2-OD1 3.46Å; Q441-N445 PolarHBondContact O-N 3.48Å; Q441-N445 PolarHBondContact O-OD1 3.37Å; T442-N445 WeakPolarHBondContact O-CB 3.38Å; T442-N445 PolarHBondContact O-N 2.71Å; T442-N445 VanDerWaalsContact O-N 3.13Å; N445-M447 PolarHBondContact O-N 2.99Å; N445-N448 PolarHBondContact O-N 3.34Å; N445-A449 WeakPolarHBondContact O-CB 3.46Å; N445-A449 PolarHBondContact O-N 2.93Å
446	N	90.6	Very high	90.1	Very high	83 Å²	83	51.8 Å²	51.8	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-46.8	175.8	-64.2	-18.4	0	0	0	111.3	T442 Q443 A449 V450	T442-N446 VanDerWaalsContact O-CG 3.24Å; T442-N446 PolarHBondContact O-N 3.38Å; T442-N446 PolarHBondContact O-ND2 3.15Å; T442-N446 PolarHBondContact O-OD1 3.23Å; Q443-N446 PolarHBondContact O-N 2.82Å; Q443-N446 PolarHBondContact OE1-ND2 3.24Å; N446-A449 PolarHBondContact O-N 3.11Å; N446-V450 WeakPolarHBondContact O-CG2 3.41Å; N446-V450 PolarHBondContact O-N 3.04Å
447	M	89.1	Confident	90.1	Very high	35 Å²	35	50.5 Å²	50.5	17%	0.172	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-42.9	178.6	-171.8	-176.9	69.2	0	0	112.1	L402 V405 A406 Q443 Y444 N445 V450 N451	L402-M447 HydrophobicContact CB-CG 4.43Å; L402-M447 HydrophobicContact CD2-CG 3.89Å; L402-M447 HydrophobicContact CD2-SD 4.15Å; V405-M447 HydrophobicContact CB-CE 4.2Å; V405-M447 HydrophobicContact CB-SD 4.09Å; V405-M447 HydrophobicContact CG1-CE 3.96Å; V405-M447 HydrophobicContact CG1-SD 3.76Å; A406-M447 HydrophobicContact CB-CE 3.76Å; Q443-M447 VanDerWaalsContact O-CB 3.3Å; Q443-M447 WeakPolarHBondContact O-CB 3.26Å; Q443-M447 PolarHBondContact O-N 3.4Å; Y444-M447 HydrophobicContact CD2-CE 4.3Å; Y444-M447 PolarHBondContact O-N 2.75Å; N445-M447 PolarHBondContact O-N 2.99Å; M447-V450 PolarHBondContact O-N 3.2Å; M447-N451 WeakPolarHBondContact O-CB 3.22Å; M447-N451 PolarHBondContact O-N 3.42Å
448	N	89.5	Confident	90	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-37.9	175.7	-82	7.9	0	0	0	112.3	Y444 N445 N451 L452	Y444-N448 WeakPolarHBondContact CE1-ND2 3.4Å; Y444-N448 VanDerWaalsContact CZ-ND2 3.26Å; Y444-N448 WeakPolarHBondContact O-CB 3.49Å; Y444-N448 PolarHBondContact O-N 3.29Å; Y444-N448 PolarHBondContact OH-ND2 3.06Å; N445-N448 PolarHBondContact O-N 3.34Å; N448-N451 PolarHBondContact O-N 2.66Å; N448-L452 WeakPolarHBondContact O-CB 3.45Å; N448-L452 PolarHBondContact O-N 3.2Å
449	A	91.9	Very high	89.8	Confident	59 Å²	59	51.6 Å²	51.6	49%	0.488	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-42.8	175.6	0	0	0	0	0	111.8	N445 N446 L452 F453	N445-A449 WeakPolarHBondContact O-CB 3.46Å; N445-A449 PolarHBondContact O-N 2.93Å; N446-A449 PolarHBondContact O-N 3.11Å; A449-L452 PolarHBondContact O-N 3.39Å; A449-F453 WeakPolarHBondContact O-CB 3.16Å; A449-F453 PolarHBondContact O-N 3.24Å
450	V	90.7	Very high	89.4	Confident	70 Å²	70	53.4 Å²	53.4	42%	0.424	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-40.8	173.5	170.4	0	0	0	0	111.5	L402 N446 M447 F453 F454	L402-V450 HydrophobicContact CD1-CG1 4.47Å; N446-V450 WeakPolarHBondContact O-CG2 3.41Å; N446-V450 PolarHBondContact O-N 3.04Å; M447-V450 PolarHBondContact O-N 3.2Å; V450-F453 WeakPolarHBondContact O-CB 3.4Å; V450-F453 PolarHBondContact O-N 3.12Å; V450-F454 HydrophobicContact CG1-CD2 3.85Å; V450-F454 HydrophobicContact CG1-CE2 3.47Å; V450-F454 VanDerWaalsContact CG1-CE2 3.47Å; V450-F454 HydrophobicContact CG1-CZ 4.48Å; V450-F454 WeakPolarHBondContact O-CD2 3.18Å; V450-F454 PolarHBondContact O-N 2.74Å; V450-F454 VanDerWaalsContact O-N 3.08Å
451	N	89.7	Confident	89	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-44.9	176.4	-165.9	21.2	0	0	0	111.9	V399 L402 M447 N448 F453 F454 A455	V399-N451 WeakPolarHBondContact CA-OD1 3.42Å; V399-N451 WeakPolarHBondContact CG1-OD1 3.35Å; L402-N451 HydrophobicContact CB-CB 4.27Å; L402-N451 HydrophobicContact CD1-CB 4.16Å; M447-N451 WeakPolarHBondContact O-CB 3.22Å; M447-N451 PolarHBondContact O-N 3.42Å; N448-N451 PolarHBondContact O-N 2.66Å; N451-F453 VanDerWaalsContact C-N 3.35Å; N451-F453 PolarHBondContact O-N 3.27Å; N451-F454 PolarHBondContact O-N 3.23Å; N451-A455 PolarHBondContact O-N 2.84Å
452	L	91.8	Very high	88.5	Confident	30 Å²	30	50.8 Å²	50.8	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-40	175	178.4	59.6	0	0	0	111.9	L117 V120 T124 N448 A449 A455 W456	L117-L452 HydrophobicContact CD1-CD1 4.34Å; V120-L452 HydrophobicContact CG1-CD1 4.04Å; T124-L452 HydrophobicContact CG2-CD2 4.21Å; N448-L452 WeakPolarHBondContact O-CB 3.45Å; N448-L452 PolarHBondContact O-N 3.2Å; A449-L452 PolarHBondContact O-N 3.39Å; L452-A455 WeakPolarHBondContact O-CB 3.46Å; L452-A455 PolarHBondContact O-N 3.45Å; L452-W456 VanDerWaalsContact O-CD1 3.24Å; L452-W456 PolarHBondContact O-N 3.01Å
453	F	93.3	Very high	87.6	Confident	125 Å²	125	52.5 Å²	52.5	55%	0.548	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-46.1	174.9	174	-103.9	0	0	0	112.3	A449 V450 N451 A455 W456 I457	A449-F453 WeakPolarHBondContact O-CB 3.16Å; A449-F453 PolarHBondContact O-N 3.24Å; V450-F453 WeakPolarHBondContact O-CB 3.4Å; V450-F453 PolarHBondContact O-N 3.12Å; N451-F453 VanDerWaalsContact C-N 3.35Å; N451-F453 PolarHBondContact O-N 3.27Å; F453-A455 VanDerWaalsContact C-N 3.3Å; F453-A455 PolarHBondContact O-N 3.35Å; F453-W456 PolarHBondContact O-N 2.79Å; F453-I457 HydrophobicContact CD1-CD1 4.04Å; F453-I457 HydrophobicContact CE1-CD1 3.49Å; F453-I457 VanDerWaalsContact CE1-CD1 3.49Å; F453-I457 HydrophobicContact CE2-CD1 4.1Å; F453-I457 HydrophobicContact CZ-CD1 3.54Å; F453-I457 PolarHBondContact O-N 3.42Å; F453-I457 VanDerWaalsContact O-N 3.09Å
454	F	91.1	Very high	86.5	Confident	53 Å²	53	51.1 Å²	51.1	23%	0.232	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-33	174	-71.1	-55.3	0	0	0	112.8	M395 L398 V399 V450 N451 I457 K458	M395-F454 HydrophobicContact CE-CB 4.09Å; M395-F454 HydrophobicContact CE-CD1 3.95Å; M395-F454 HydrophobicContact CE-CG 4.47Å; M395-F454 VanDerWaalsContact CE-O 3.29Å; M395-F454 WeakPolarHBondContact CE-O 3.32Å; L398-F454 HydrophobicContact CD2-CD2 3.83Å; L398-F454 HydrophobicContact CD2-CE1 4.43Å; L398-F454 HydrophobicContact CD2-CE2 3.54Å; L398-F454 HydrophobicContact CD2-CG 4.39Å; L398-F454 HydrophobicContact CD2-CZ 3.88Å; L398-F454 HydrophobicContact CG-CD2 4.48Å; L398-F454 HydrophobicContact CG-CE2 4.48Å; V399-F454 HydrophobicContact CG2-CB 3.98Å; V450-F454 HydrophobicContact CG1-CD2 3.85Å; V450-F454 HydrophobicContact CG1-CE2 3.47Å; V450-F454 VanDerWaalsContact CG1-CE2 3.47Å; V450-F454 HydrophobicContact CG1-CZ 4.48Å; V450-F454 WeakPolarHBondContact O-CD2 3.18Å; V450-F454 PolarHBondContact O-N 2.74Å; V450-F454 VanDerWaalsContact O-N 3.08Å; N451-F454 PolarHBondContact O-N 3.23Å; F454-I457 PolarHBondContact O-N 3.18Å; F454-K458 PolarHBondContact O-N 2.66Å
455	A	89.9	Confident	85.4	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-42.8	173.3	0	0	0	0	0	112.5	Y113 L117 N451 L452 F453 I457 K458	Y113-A455 WeakPolarHBondContact OH-CA 3.4Å; Y113-A455 VanDerWaalsContact OH-CB 3.31Å; Y113-A455 WeakPolarHBondContact OH-CB 3.47Å; Y113-A455 PolarHBondContact OH-O 3.29Å; L117-A455 HydrophobicContact CD1-CB 3.95Å; N451-A455 PolarHBondContact O-N 2.84Å; L452-A455 WeakPolarHBondContact O-CB 3.46Å; L452-A455 PolarHBondContact O-N 3.45Å; F453-A455 VanDerWaalsContact C-N 3.3Å; F453-A455 PolarHBondContact O-N 3.35Å; A455-I457 VanDerWaalsContact C-N 3.35Å; A455-I457 PolarHBondContact O-N 2.93Å; A455-K458 PolarHBondContact O-N 2.83Å
456	W	91.8	Very high	84.4	Confident	134 Å²	134	54.2 Å²	54.2	51%	0.508	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-39.4	173.2	-81.1	101.8	0	0	0	112.5	L117 L452 F453 I459	L117-W456 HydrophobicContact CD1-CD2 4.33Å; L117-W456 HydrophobicContact CD1-CG 4.44Å; L117-W456 HydrophobicContact CD2-CD2 4.37Å; L117-W456 HydrophobicContact CD2-CE3 4.25Å; L117-W456 HydrophobicContact CD2-CH2 4Å; L117-W456 HydrophobicContact CD2-CZ2 4.14Å; L117-W456 HydrophobicContact CD2-CZ3 4.06Å; L117-W456 HydrophobicContact CG-CZ2 4.43Å; L452-W456 VanDerWaalsContact O-CD1 3.24Å; L452-W456 PolarHBondContact O-N 3.01Å; F453-W456 PolarHBondContact O-N 2.79Å; W456-I459 HydrophobicContact CD2-CD1 4.11Å; W456-I459 HydrophobicContact CE3-CD1 3.29Å; W456-I459 HydrophobicContact CZ3-CD1 3.62Å; W456-I459 WeakPolarHBondContact O-CB 3.36Å; W456-I459 VanDerWaalsContact O-CG1 3.28Å; W456-I459 WeakPolarHBondContact O-CG1 3.49Å; W456-I459 PolarHBondContact O-N 3.42Å
457	I	89.1	Confident	83.5	Confident	49 Å²	49	53 Å²	53	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-36.5	174.9	-67.8	173.7	0	0	0	111.8	M395 F453 F454 A455 I459 F460	M395-I457 HydrophobicContact CE-CB 3.93Å; M395-I457 HydrophobicContact CE-CG2 3.69Å; M395-I457 HydrophobicContact SD-CG2 4.12Å; F453-I457 HydrophobicContact CD1-CD1 4.04Å; F453-I457 HydrophobicContact CE1-CD1 3.49Å; F453-I457 VanDerWaalsContact CE1-CD1 3.49Å; F453-I457 HydrophobicContact CE2-CD1 4.1Å; F453-I457 HydrophobicContact CZ-CD1 3.54Å; F453-I457 PolarHBondContact O-N 3.42Å; F453-I457 VanDerWaalsContact O-N 3.09Å; F454-I457 PolarHBondContact O-N 3.18Å; A455-I457 VanDerWaalsContact C-N 3.35Å; A455-I457 PolarHBondContact O-N 2.93Å; I457-I459 PolarHBondContact O-N 3.06Å; I457-I459 VanDerWaalsContact O-N 3.1Å; I457-F460 HydrophobicContact CG2-CD2 4.25Å; I457-F460 WeakPolarHBondContact O-CB 3.41Å; I457-F460 VanDerWaalsContact O-CD2 3.27Å; I457-F460 WeakPolarHBondContact O-CD2 3.32Å; I457-F460 PolarHBondContact O-N 3.38Å
458	K	86.1	Confident	82.8	Confident	10 Å²	10	54.9 Å²	54.9	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-22.3	177.8	173.1	169.2	169.6	170.5	0	113.1	Y113 D396 F454 A455 F460 K461 Y462	Y113-K458 HydrophobicContact CD2-CD 4.25Å; Y113-K458 HydrophobicContact CE1-CB 4.17Å; Y113-K458 HydrophobicContact CE1-CD 4.21Å; Y113-K458 HydrophobicContact CE1-CG 3.87Å; Y113-K458 HydrophobicContact CE2-CD 3.52Å; Y113-K458 HydrophobicContact CE2-CG 4.12Å; D396-K458 WeakPolarHBondContact OD1-CD 3.41Å; D396-K458 WeakPolarHBondContact OD1-CE 3.38Å; D396-K458 IonicContact OD1-NZ 3.67Å; D396-K458 PolarHBondContact OD1-NZ 3.47Å; F454-K458 PolarHBondContact O-N 2.66Å; A455-K458 PolarHBondContact O-N 2.83Å; K458-F460 PolarHBondContact O-N 3.32Å; K458-K461 WeakPolarHBondContact O-CB 3.37Å; K458-K461 PolarHBondContact O-N 3.02Å; K458-Y462 HydrophobicContact CG-CE2 4.16Å
459	I	85.8	Confident	82.2	Confident	20 Å²	20	57.7 Å²	57.7	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-32	173.4	-48.1	172.1	0	0	0	111.4	Y113 L117 W456 I457 K461 Y462 I463	Y113-I459 HydrophobicContact CE1-CG1 4.16Å; L117-I459 HydrophobicContact CD2-CD1 3.42Å; L117-I459 VanDerWaalsContact CD2-CD1 3.42Å; L117-I459 HydrophobicContact CD2-CG1 4.05Å; W456-I459 HydrophobicContact CD2-CD1 4.11Å; W456-I459 HydrophobicContact CE3-CD1 3.29Å; W456-I459 HydrophobicContact CZ3-CD1 3.62Å; W456-I459 WeakPolarHBondContact O-CB 3.36Å; W456-I459 VanDerWaalsContact O-CG1 3.28Å; W456-I459 WeakPolarHBondContact O-CG1 3.49Å; W456-I459 PolarHBondContact O-N 3.42Å; I457-I459 PolarHBondContact O-N 3.06Å; I457-I459 VanDerWaalsContact O-N 3.1Å; I459-K461 PolarHBondContact O-N 3.01Å; I459-Y462 CarbonylContact O-C 3.53Å; I459-Y462 PolarHBondContact O-N 3.31Å; I459-I463 HydrophobicContact CG2-CD1 3.67Å; I459-I463 HydrophobicContact CG2-CG1 4.06Å; I459-I463 PolarHBondContact O-N 3.2Å
460	F	82.1	Confident	81.5	Confident	114 Å²	114	56.9 Å²	56.9	50%	0.5	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-27.9	177	-64.9	-57.3	0	0	0	113.4	W392 I457 K458 Y462 I463 S464	W392-F460 HydrophobicContact CH2-CB 3.84Å; W392-F460 HydrophobicContact CZ3-CB 4.34Å; I457-F460 HydrophobicContact CG2-CD2 4.25Å; I457-F460 WeakPolarHBondContact O-CB 3.41Å; I457-F460 VanDerWaalsContact O-CD2 3.27Å; I457-F460 WeakPolarHBondContact O-CD2 3.32Å; I457-F460 PolarHBondContact O-N 3.38Å; K458-F460 PolarHBondContact O-N 3.32Å; F460-Y462 PolarHBondContact O-N 3.46Å; F460-I463 PolarHBondContact O-N 3.48Å; F460-S464 PolarHBondContact O-N 2.8Å
461	K	80.4	Confident	81	Confident	48 Å²	48	54.7 Å²	54.7	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-51.7	-42.5	169.9	-165.2	-177.9	-173.9	178.8	0	110.5	W392 D396 K458 I459 S464	W392-K461 HydrophobicContact CB-CD 3.94Å; W392-K461 HydrophobicContact CB-CG 4.25Å; W392-K461 HydrophobicContact CD2-CB 3.99Å; W392-K461 HydrophobicContact CD2-CD 4.48Å; W392-K461 HydrophobicContact CD2-CG 3.97Å; W392-K461 HydrophobicContact CE3-CB 3.81Å; W392-K461 HydrophobicContact CE3-CG 4.23Å; W392-K461 HydrophobicContact CG-CD 4.23Å; W392-K461 HydrophobicContact CG-CG 3.98Å; W392-K461 HydrophobicContact CZ3-CB 4.13Å; D396-K461 IonicContact OD1-NZ 3.61Å; D396-K461 IonicContact OD2-NZ 3.83Å; D396-K461 PolarHBondContact OD2-NZ 3.27Å; K458-K461 WeakPolarHBondContact O-CB 3.37Å; K458-K461 PolarHBondContact O-N 3.02Å; I459-K461 PolarHBondContact O-N 3.01Å; K461-S464 PolarHBondContact O-OG 2.94Å
462	Y	77.5	Confident	80.6	Confident	16 Å²	16	58.7 Å²	58.7	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-96.2	-14.3	-176.3	-52.6	-79	0	0	0	114.5	E109 L110 Y113 K458 I459 F460 S464 F465	E109-Y462 HydrophobicContact CB-CE1 3.88Å; L110-Y462 HydrophobicContact CB-CD1 4.15Å; L110-Y462 HydrophobicContact CB-CG 4.26Å; L110-Y462 HydrophobicContact CD1-CD2 4.5Å; L110-Y462 HydrophobicContact CD1-CG 4.16Å; Y113-Y462 HydrophobicContact CD1-CD2 4.08Å; Y113-Y462 AromaticContact CD1-CE2 3.69Å; Y113-Y462 HydrophobicContact CD1-CE2 3.69Å; Y113-Y462 HydrophobicContact CD2-CE2 4.43Å; Y113-Y462 HydrophobicContact CE1-CE2 4.4Å; Y113-Y462 HydrophobicContact CG-CD2 4.48Å; Y113-Y462 AromaticContact CG-CE2 3.74Å; Y113-Y462 HydrophobicContact CG-CE2 3.74Å; K458-Y462 HydrophobicContact CG-CE2 4.16Å; I459-Y462 CarbonylContact O-C 3.53Å; I459-Y462 PolarHBondContact O-N 3.31Å; F460-Y462 PolarHBondContact O-N 3.46Å; Y462-S464 VanDerWaalsContact C-N 3.25Å; Y462-F465 WeakPolarHBondContact O-CD2 3.49Å; Y462-F465 WeakPolarHBondContact O-CE2 3.21Å
463	I	71.7	Confident	80.1	Confident	72 Å²	72	60.1 Å²	60.1	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-79.5	-10.9	173.4	-73.2	172	0	0	0	111.9	I459 F460 F465 N466 M469	I459-I463 HydrophobicContact CG2-CD1 3.67Å; I459-I463 HydrophobicContact CG2-CG1 4.06Å; I459-I463 PolarHBondContact O-N 3.2Å; F460-I463 PolarHBondContact O-N 3.48Å; I463-F465 PolarHBondContact O-N 3.44Å; I463-N466 PolarHBondContact O-N 3.07Å; I463-M469 HydrophobicContact CG2-CB 4.15Å; I463-M469 HydrophobicContact CG2-CG 3.76Å; I463-M469 HydrophobicContact CG2-SD 4.34Å
464	S	66.4	Low	79.6	Confident	48 Å²	48	56.4 Å²	56.4	34%	0.336	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	9.7	177.2	68.6	0	0	0	0	116.6	F460 K461 Y462 T470	F460-S464 PolarHBondContact O-N 2.8Å; K461-S464 PolarHBondContact O-OG 2.94Å; Y462-S464 VanDerWaalsContact C-N 3.25Å; S464-T470 PolarHBondContact O-OG1 3.33Å
465	F	65.2	Low	79.4	Confident	55 Å²	55	54.4 Å²	54.4	24%	0.241	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.4	169.8	-54.8	-50.6	0	0	0	113.6	T106 Y462 I463 I586	T106-F465 HydrophobicContact CG2-CE1 4.17Å; T106-F465 HydrophobicContact CG2-CZ 3.89Å; Y462-F465 WeakPolarHBondContact O-CD2 3.49Å; Y462-F465 WeakPolarHBondContact O-CE2 3.21Å; I463-F465 PolarHBondContact O-N 3.44Å; F465-I586 HydrophobicContact CB-CD1 3.96Å
466	N	69.8	Low	79.2	Confident	86 Å²	86	59.6 Å²	59.6	46%	0.46	31%	0.305	S	S	.	.	S	Bend	trans	-92.3	129.8	178.2	-172.9	-6.8	0	0	0	111.6	I463 T468 M469 T470	I463-N466 PolarHBondContact O-N 3.07Å; N466-T468 PolarHBondContact ND2-OG1 2.65Å; N466-T468 PolarHBondContact O-N 2.89Å; N466-T468 VanDerWaalsContact O-N 3.14Å; N466-T468 PolarHBondContact OD1-N 3.34Å; N466-T468 PolarHBondContact OD1-OG1 2.59Å; N466-M469 HydrophobicContact CB-CB 4.34Å; N466-M469 HydrophobicContact CB-CG 4.32Å; N466-M469 PolarHBondContact O-N 3.07Å; N466-T470 PolarHBondContact O-N 2.98Å; N466-T470 PolarHBondContact O-OG1 3.35Å
467	K	70	Confident	78.8	Confident	57 Å²	57	56 Å²	56	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-49.4	-41.7	179.9	-165	176.5	-173.9	-176.6	0	112.4	Q471 L577 D582 L584	K467-Q471 WeakPolarHBondContact O-CB 3.23Å; K467-Q471 PolarHBondContact O-N 3.14Å; K467-L577 WeakPolarHBondContact CE-O 3.22Å; K467-L577 HydrophobicContact CG-CD2 3.73Å; K467-L577 HydrophobicContact CG-CG 4.33Å; K467-L577 PolarHBondContact NZ-O 3.48Å; K467-L577 WeakPolarHBondContact O-CD2 3.34Å; K467-D582 IonicContact NZ-OD1 2.79Å; K467-D582 PolarHBondContact NZ-OD1 2.94Å; K467-L584 HydrophobicContact CB-CD1 3.71Å; K467-L584 HydrophobicContact CG-CD1 4.2Å
468	T	75.4	Confident	78.7	Confident	75 Å²	75	57.8 Å²	57.8	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-71.7	-34.5	-179.3	58.2	0	0	0	0	113.5	N466 Q471 L472	N466-T468 PolarHBondContact ND2-OG1 2.65Å; N466-T468 PolarHBondContact O-N 2.89Å; N466-T468 VanDerWaalsContact O-N 3.14Å; N466-T468 PolarHBondContact OD1-N 3.34Å; N466-T468 PolarHBondContact OD1-OG1 2.59Å; T468-Q471 WeakPolarHBondContact O-CB 3.38Å; T468-L472 WeakPolarHBondContact O-CG 3.21Å; T468-L472 PolarHBondContact O-N 2.9Å
469	M	76.3	Confident	79	Confident	81 Å²	81	57.4 Å²	57.4	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-75.5	-36.4	177	-69.8	-68.1	178.4	0	0	111.3	I463 N466 Q471 L472 S473	I463-M469 HydrophobicContact CG2-CB 4.15Å; I463-M469 HydrophobicContact CG2-CG 3.76Å; I463-M469 HydrophobicContact CG2-SD 4.34Å; N466-M469 HydrophobicContact CB-CB 4.34Å; N466-M469 HydrophobicContact CB-CG 4.32Å; N466-M469 PolarHBondContact O-N 3.07Å; M469-Q471 VanDerWaalsContact C-N 3.33Å; M469-L472 PolarHBondContact O-N 3.16Å; M469-L472 HydrophobicContact SD-CD1 4.23Å; M469-S473 PolarHBondContact O-N 3.43Å
470	T	76.8	Confident	79.2	Confident	42 Å²	42	58.7 Å²	58.7	26%	0.258	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-36.6	172.2	-56.1	0	0	0	0	111.5	S464 N466 S473 T474	S464-T470 PolarHBondContact O-OG1 3.33Å; N466-T470 PolarHBondContact O-N 2.98Å; N466-T470 PolarHBondContact O-OG1 3.35Å; T470-S473 PolarHBondContact O-N 2.94Å; T470-T474 WeakPolarHBondContact O-CB 3.47Å; T470-T474 PolarHBondContact O-N 3.27Å; T470-T474 PolarHBondContact O-OG1 3.01Å
471	Q	80.4	Confident	79.6	Confident	24 Å²	24	60.9 Å²	60.9	11%	0.112	33%	0.334	C	S	.	.	H	α-helix	trans	-55.3	-56	170.1	-165.2	-170.7	-19.6	0	0	110.4	K467 T468 M469 S473 T474 T475 Y570 V573 L577	K467-Q471 WeakPolarHBondContact O-CB 3.23Å; K467-Q471 PolarHBondContact O-N 3.14Å; T468-Q471 WeakPolarHBondContact O-CB 3.38Å; M469-Q471 VanDerWaalsContact C-N 3.33Å; Q471-S473 PolarHBondContact O-N 2.78Å; Q471-T474 PolarHBondContact O-N 2.99Å; Q471-T474 VanDerWaalsContact O-N 3.15Å; Q471-T475 WeakPolarHBondContact O-CG2 3.33Å; Q471-T475 PolarHBondContact O-N 3.25Å; Q471-T475 PolarHBondContact O-OG1 2.99Å; Q471-Y570 PolarHBondContact NE2-OH 3.27Å; Q471-V573 HydrophobicContact CG-CG1 4Å; Q471-L577 HydrophobicContact CB-CD2 3.71Å; Q471-L577 HydrophobicContact CG-CD2 4.07Å
472	L	81.9	Confident	80.1	Confident	91 Å²	91	62.8 Å²	62.8	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-42.6	-179.5	-68.3	170.6	0	0	0	113.2	T468 M469 T474 T475 L476 Y570	T468-L472 WeakPolarHBondContact O-CG 3.21Å; T468-L472 PolarHBondContact O-N 2.9Å; M469-L472 PolarHBondContact O-N 3.16Å; M469-L472 HydrophobicContact SD-CD1 4.23Å; L472-T474 VanDerWaalsContact C-N 3.34Å; L472-T475 WeakPolarHBondContact CA-OG1 3.24Å; L472-T475 PolarHBondContact O-OG1 3.19Å; L472-L476 WeakPolarHBondContact O-CB 3.47Å; L472-L476 PolarHBondContact O-N 3.07Å; L472-L476 VanDerWaalsContact O-N 3.12Å; L472-Y570 HydrophobicContact CD2-CE2 4.21Å
473	S	80.8	Confident	80.9	Confident	60 Å²	60	63.4 Å²	63.4	42%	0.42	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-34.7	176.9	-171.8	0	0	0	0	112.3	M469 T470 Q471 G477	M469-S473 PolarHBondContact O-N 3.43Å; T470-S473 PolarHBondContact O-N 2.94Å; Q471-S473 PolarHBondContact O-N 2.78Å; S473-G477 PolarHBondContact O-N 3.18Å
474	T	82.1	Confident	81.8	Confident	47 Å²	47	65.4 Å²	65.4	29%	0.288	36%	0.362	S	S	.	.	H	α-helix	trans	-74.6	-39.9	178.3	-60.3	0	0	0	0	111.3	T470 Q471 L472 G477 R478 V573	T470-T474 WeakPolarHBondContact O-CB 3.47Å; T470-T474 PolarHBondContact O-N 3.27Å; T470-T474 PolarHBondContact O-OG1 3.01Å; Q471-T474 PolarHBondContact O-N 2.99Å; Q471-T474 VanDerWaalsContact O-N 3.15Å; L472-T474 VanDerWaalsContact C-N 3.34Å; T474-G477 PolarHBondContact O-N 3.1Å; T474-R478 HydrophobicContact CG2-CG 4.48Å; T474-R478 WeakPolarHBondContact O-CG 3.44Å; T474-R478 PolarHBondContact O-N 2.91Å; T474-V573 HydrophobicContact CG2-CG1 4Å; T474-V573 HydrophobicContact CG2-CG2 4.27Å
475	T	87.7	Confident	82.9	Confident	12 Å²	12	65 Å²	65	7%	0.074	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-48.8	175.1	49.3	0	0	0	0	110.8	Q471 L472 G477 R478 C479 Y570 V573	Q471-T475 WeakPolarHBondContact O-CG2 3.33Å; Q471-T475 PolarHBondContact O-N 3.25Å; Q471-T475 PolarHBondContact O-OG1 2.99Å; L472-T475 WeakPolarHBondContact CA-OG1 3.24Å; L472-T475 PolarHBondContact O-OG1 3.19Å; T475-G477 VanDerWaalsContact C-N 3.34Å; T475-G477 PolarHBondContact O-N 2.98Å; T475-R478 PolarHBondContact O-N 2.87Å; T475-C479 PolarHBondContact O-N 2.81Å; T475-C479 PolarHBondContact O-SG 2.79Å; T475-Y570 HydrophobicContact CG2-CD2 4.03Å; T475-V573 HydrophobicContact CG2-CB 3.46Å; T475-V573 VanDerWaalsContact CG2-CB 3.46Å; T475-V573 HydrophobicContact CG2-CG1 3.86Å; T475-V573 HydrophobicContact CG2-CG2 3.63Å
476	L	85.3	Confident	84.2	Confident	111 Å²	111	63 Å²	63	58%	0.581	36%	0.356	S	S	*	.	H	α-helix	trans	-63	-41.4	178.6	-172.7	63.4	0	0	0	111.5	L472 R478 A480	L472-L476 WeakPolarHBondContact O-CB 3.47Å; L472-L476 PolarHBondContact O-N 3.07Å; L472-L476 VanDerWaalsContact O-N 3.12Å; L476-R478 PolarHBondContact O-N 2.86Å; L476-A480 WeakPolarHBondContact O-CB 3.21Å; L476-A480 PolarHBondContact O-N 2.85Å
477	G	84.8	Confident	85.3	Confident	58 Å²	58	60 Å²	60	60%	0.598	34%	0.344	S	S	*	.	H	α-helix	trans	-65.6	-31.3	177.2	0	0	0	0	0	114.6	S473 T474 T475	S473-G477 PolarHBondContact O-N 3.18Å; T474-G477 PolarHBondContact O-N 3.1Å; T475-G477 VanDerWaalsContact C-N 3.34Å; T475-G477 PolarHBondContact O-N 2.98Å
478	R	86.9	Confident	86.3	Confident	86 Å²	86	62.3 Å²	62.3	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-77	-56.8	174.1	-72.9	-176.8	-169.7	-168.6	1.7	111.5	T474 T475 L476 A480 T569 E572 E576	T474-R478 HydrophobicContact CG2-CG 4.48Å; T474-R478 WeakPolarHBondContact O-CG 3.44Å; T474-R478 PolarHBondContact O-N 2.91Å; T475-R478 PolarHBondContact O-N 2.87Å; L476-R478 PolarHBondContact O-N 2.86Å; R478-A480 PolarHBondContact O-N 2.83Å; R478-T569 HydrophobicContact CB-CG2 3.62Å; R478-E572 IonicContact NH1-OE2 3.59Å; R478-E572 PolarHBondContact NH1-OE2 3.41Å; R478-E576 IonicContact CZ-OE2 3.52Å; R478-E576 IonicContact NH1-OE2 2.75Å; R478-E576 PolarHBondContact NH1-OE2 3.18Å; R478-E576 VanDerWaalsContact NH2-CD 3.29Å; R478-E576 IonicContact NH2-OE1 3.49Å; R478-E576 PolarHBondContact NH2-OE1 3.35Å; R478-E576 IonicContact NH2-OE2 2.73Å; R478-E576 PolarHBondContact NH2-OE2 2.7Å
479	C	92.2	Very high	87.1	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.02	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-18.3	-174.7	69.7	0	0	0	0	113.2	T475 K481 D482 I483 I565 T569	T475-C479 PolarHBondContact O-N 2.81Å; T475-C479 PolarHBondContact O-SG 2.79Å; C479-K481 PolarHBondContact O-N 3Å; C479-D482 PolarHBondContact O-N 3.09Å; C479-I483 HydrophobicContact CB-CD1 4.15Å; C479-I483 HydrophobicContact CB-CG1 4.45Å; C479-I483 WeakPolarHBondContact O-CB 3.33Å; C479-I483 WeakPolarHBondContact O-CG1 3.34Å; C479-I483 PolarHBondContact O-N 3.12Å; C479-I483 WeakPolarHBondContact SG-CD1 3.36Å; C479-I565 HydrophobicContact CB-CG2 4.4Å; C479-T569 HydrophobicContact CB-CG2 3.98Å; C479-T569 WeakPolarHBondContact CB-OG1 3.45Å
480	A	89.6	Confident	87.8	Confident	46 Å²	46	61.6 Å²	61.6	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-49.5	-34.5	176.7	0	0	0	0	0	114.2	L476 R478 L484	L476-A480 WeakPolarHBondContact O-CB 3.21Å; L476-A480 PolarHBondContact O-N 2.85Å; R478-A480 PolarHBondContact O-N 2.83Å; A480-L484 WeakPolarHBondContact O-CB 3.47Å; A480-L484 PolarHBondContact O-N 3.31Å
481	K	89.8	Confident	88.6	Confident	161 Å²	161	63.7 Å²	63.7	70%	0.7	36%	0.355	S	S	*	.	H	α-helix	trans	-69.4	-44.4	178.4	-173.4	-166.7	170.4	-154.8	0	112.1	C479 L484 G485	C479-K481 PolarHBondContact O-N 3Å; K481-L484 PolarHBondContact O-N 3.24Å; K481-G485 PolarHBondContact O-N 2.95Å
482	D	92.4	Very high	89.3	Confident	88 Å²	88	68 Å²	68	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-82	-32.9	-175	-54.6	-41.2	0	0	0	110.7	C479 L484 G485 F486 I565	C479-D482 PolarHBondContact O-N 3.09Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-G485 PolarHBondContact O-N 2.83Å; D482-F486 WeakPolarHBondContact O-CB 3.38Å; D482-F486 PolarHBondContact O-N 2.89Å; D482-I565 HydrophobicContact CB-CG2 4.4Å
483	I	92.5	Very high	89.8	Confident	29 Å²	29	66.1 Å²	66.1	15%	0.149	37%	0.369	C	S	.	.	H	α-helix	trans	-56.1	-45.6	162.2	-73.6	175.5	0	0	0	110.9	C479 G485 F486 A487 F562 I565 I566	C479-I483 HydrophobicContact CB-CD1 4.15Å; C479-I483 HydrophobicContact CB-CG1 4.45Å; C479-I483 WeakPolarHBondContact O-CB 3.33Å; C479-I483 WeakPolarHBondContact O-CG1 3.34Å; C479-I483 PolarHBondContact O-N 3.12Å; C479-I483 WeakPolarHBondContact SG-CD1 3.36Å; I483-G485 VanDerWaalsContact C-N 3.35Å; I483-G485 PolarHBondContact O-N 2.98Å; I483-F486 PolarHBondContact O-N 3.37Å; I483-A487 VanDerWaalsContact O-CB 3.24Å; I483-A487 WeakPolarHBondContact O-CB 3.41Å; I483-A487 PolarHBondContact O-N 3.01Å; I483-F562 HydrophobicContact CD1-CE2 3.98Å; I483-F562 HydrophobicContact CD1-CZ 4.45Å; I483-F562 HydrophobicContact CG1-CD2 4.39Å; I483-F562 HydrophobicContact CG1-CE2 4.07Å; I483-F562 HydrophobicContact CG2-CD2 4.48Å; I483-F562 HydrophobicContact CG2-CE2 3.82Å; I483-I565 HydrophobicContact CG1-CG2 4.05Å; I483-I566 HydrophobicContact CD1-CD1 4.13Å; I483-I566 HydrophobicContact CD1-CG1 3.81Å
484	L	90.4	Very high	90.5	Very high	114 Å²	114	63.3 Å²	63.3	60%	0.597	35%	0.349	S	S	*	.	H	α-helix	trans	-65.4	-38.6	178.9	-178.5	63.3	0	0	0	111.8	A480 K481 D482 A487 I488	A480-L484 WeakPolarHBondContact O-CB 3.47Å; A480-L484 PolarHBondContact O-N 3.31Å; K481-L484 PolarHBondContact O-N 3.24Å; D482-L484 VanDerWaalsContact C-N 3.34Å; L484-A487 PolarHBondContact O-N 3.07Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 3.47Å
485	G	91.3	Very high	91.1	Very high	40 Å²	40	65.2 Å²	65.2	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-45.9	171.9	0	0	0	0	0	112.5	K481 D482 I483	K481-G485 PolarHBondContact O-N 2.95Å; D482-G485 PolarHBondContact O-N 2.83Å; I483-G485 VanDerWaalsContact C-N 3.35Å; I483-G485 PolarHBondContact O-N 2.98Å
486	F	91.9	Very high	91.6	Very high	12 Å²	12	67.6 Å²	67.6	5%	0.053	38%	0.375	C	S	.	.	H	α-helix	trans	-67.8	-37.8	176.3	175.3	-112.5	0	0	0	113.2	D482 I483 I488 M489 F490 L558 M561 F562 I565	D482-F486 WeakPolarHBondContact O-CB 3.38Å; D482-F486 PolarHBondContact O-N 2.89Å; I483-F486 PolarHBondContact O-N 3.37Å; F486-I488 PolarHBondContact O-N 2.92Å; F486-M489 WeakPolarHBondContact O-CA 3.44Å; F486-M489 WeakPolarHBondContact O-CB 3.46Å; F486-M489 PolarHBondContact O-N 2.63Å; F486-F490 HydrophobicContact CE1-CB 4.46Å; F486-F490 PolarHBondContact O-N 2.62Å; F486-L558 HydrophobicContact CE2-CD2 3.61Å; F486-L558 HydrophobicContact CZ-CB 3.94Å; F486-L558 HydrophobicContact CZ-CD2 3.62Å; F486-L558 HydrophobicContact CZ-CG 4.37Å; F486-L558 VanDerWaalsContact CZ-O 3.28Å; F486-L558 WeakPolarHBondContact CZ-O 3.37Å; F486-M561 HydrophobicContact CD2-CE 3.42Å; F486-M561 VanDerWaalsContact CD2-CE 3.42Å; F486-M561 HydrophobicContact CD2-CG 4.25Å; F486-M561 HydrophobicContact CD2-SD 3.67Å; F486-M561 HydrophobicContact CE2-CB 4.21Å; F486-M561 HydrophobicContact CE2-CE 3.85Å; F486-M561 HydrophobicContact CE2-CG 3.93Å; F486-M561 HydrophobicContact CE2-SD 3.38Å; F486-M561 WeakPolarHBondContact CE2-SD 3.39Å; F486-M561 HydrophobicContact CG-CE 4.2Å; F486-M561 HydrophobicContact CZ-CB 4.11Å; F486-M561 HydrophobicContact CZ-CG 4.24Å; F486-M561 HydrophobicContact CZ-SD 4.23Å; F486-F562 HydrophobicContact CD1-CB 4.4Å; F486-F562 HydrophobicContact CD1-CD2 4.39Å; F486-F562 HydrophobicContact CE1-CB 3.93Å; F486-I565 HydrophobicContact CB-CD1 3.91Å; F486-I565 HydrophobicContact CD1-CD1 4.37Å; F486-I565 HydrophobicContact CG-CD1 4.07Å
487	A	91.6	Very high	92.1	Very high	24 Å²	24	63.9 Å²	63.9	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-59.4	-34.1	179.8	0	0	0	0	0	111.8	I483 L484 F490 F491	I483-A487 VanDerWaalsContact O-CB 3.24Å; I483-A487 WeakPolarHBondContact O-CB 3.41Å; I483-A487 PolarHBondContact O-N 3.01Å; L484-A487 PolarHBondContact O-N 3.07Å; A487-F490 PolarHBondContact O-N 3.23Å; A487-F491 HydrophobicContact CB-CD2 4.48Å; A487-F491 HydrophobicContact CB-CE2 4.47Å; A487-F491 WeakPolarHBondContact O-CB 3.37Å; A487-F491 WeakPolarHBondContact O-CD2 3.3Å; A487-F491 PolarHBondContact O-N 3.44Å
488	I	92.6	Very high	92.6	Very high	105 Å²	105	61.1 Å²	61.1	54%	0.538	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-44.5	172.7	-64.6	164.2	0	0	0	110.7	L484 F486 F491 I492	L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 3.47Å; F486-I488 PolarHBondContact O-N 2.92Å; I488-F491 PolarHBondContact O-N 2.96Å; I488-I492 HydrophobicContact CG2-CD1 4.03Å; I488-I492 WeakPolarHBondContact O-CD1 3.5Å; I488-I492 VanDerWaalsContact O-CG1 3.26Å; I488-I492 WeakPolarHBondContact O-CG1 3.37Å; I488-I492 PolarHBondContact O-N 3.28Å
489	M	90.9	Very high	93.1	Very high	114 Å²	114	61 Å²	61	56%	0.562	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-42.6	176	-62.3	178.8	62.1	0	0	111.9	F486 I492 V493	F486-M489 WeakPolarHBondContact O-CA 3.44Å; F486-M489 WeakPolarHBondContact O-CB 3.46Å; F486-M489 PolarHBondContact O-N 2.63Å; M489-I492 PolarHBondContact O-N 3.06Å; M489-V493 PolarHBondContact O-N 2.85Å
490	F	91.9	Very high	93.3	Very high	27 Å²	27	64.5 Å²	64.5	12%	0.118	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-52.2	173.8	171.9	-89.2	0	0	0	111.2	F486 A487 I492 V493 F494 I526 V554 L558	F486-F490 HydrophobicContact CE1-CB 4.46Å; F486-F490 PolarHBondContact O-N 2.62Å; A487-F490 PolarHBondContact O-N 3.23Å; F490-I492 VanDerWaalsContact C-N 3.33Å; F490-I492 PolarHBondContact O-N 2.95Å; F490-V493 PolarHBondContact O-N 3.11Å; F490-F494 HydrophobicContact CD1-CB 4.39Å; F490-F494 HydrophobicContact CE1-CB 4.1Å; F490-F494 AromaticContact CE1-CD2 3.78Å; F490-F494 HydrophobicContact CE1-CD2 3.78Å; F490-F494 HydrophobicContact CE1-CE2 4.44Å; F490-F494 HydrophobicContact CE1-CG 4.04Å; F490-F494 HydrophobicContact CE2-CD2 4.41Å; F490-F494 HydrophobicContact CZ-CB 4.44Å; F490-F494 AromaticContact CZ-CD2 3.55Å; F490-F494 HydrophobicContact CZ-CD2 3.55Å; F490-F494 HydrophobicContact CZ-CE2 4.12Å; F490-F494 HydrophobicContact CZ-CG 4.24Å; F490-F494 VanDerWaalsContact O-CB 3.25Å; F490-F494 WeakPolarHBondContact O-CB 3.23Å; F490-F494 PolarHBondContact O-N 3.11Å; F490-I526 HydrophobicContact CZ-CD1 4.44Å; F490-V554 HydrophobicContact CE2-CG1 3.86Å; F490-V554 HydrophobicContact CZ-CG1 4.48Å; F490-L558 HydrophobicContact CD2-CB 4.11Å; F490-L558 HydrophobicContact CD2-CD1 3.95Å
491	F	93.4	Very high	93.6	Very high	86 Å²	86	62.3 Å²	62.3	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-33.1	-177.3	-79.7	-58.8	0	0	0	113.2	A487 I488 F494 F495	A487-F491 HydrophobicContact CB-CD2 4.48Å; A487-F491 HydrophobicContact CB-CE2 4.47Å; A487-F491 WeakPolarHBondContact O-CB 3.37Å; A487-F491 WeakPolarHBondContact O-CD2 3.3Å; A487-F491 PolarHBondContact O-N 3.44Å; I488-F491 PolarHBondContact O-N 2.96Å; F491-F494 PolarHBondContact O-N 3.13Å; F491-F495 HydrophobicContact CB-CD2 4.09Å; F491-F495 HydrophobicContact CB-CE2 3.86Å; F491-F495 AromaticContact CD1-CE2 3.87Å; F491-F495 HydrophobicContact CD1-CE2 3.87Å; F491-F495 AromaticContact CD1-CZ 3.92Å; F491-F495 HydrophobicContact CD1-CZ 3.92Å; F491-F495 HydrophobicContact CG-CE2 4.14Å; F491-F495 WeakPolarHBondContact O-CB 3.41Å; F491-F495 WeakPolarHBondContact O-CD2 3.35Å; F491-F495 WeakPolarHBondContact O-CG 3.31Å; F491-F495 PolarHBondContact O-N 3.24Å
492	I	94.3	Very high	93.9	Very high	114 Å²	114	59.2 Å²	59.2	59%	0.585	31%	0.312	S	S	*	.	H	α-helix	trans	-60.3	-48.2	172.9	-71.1	163.4	0	0	0	110.8	I488 M489 F490 A496	I488-I492 HydrophobicContact CG2-CD1 4.03Å; I488-I492 WeakPolarHBondContact O-CD1 3.5Å; I488-I492 VanDerWaalsContact O-CG1 3.26Å; I488-I492 WeakPolarHBondContact O-CG1 3.37Å; I488-I492 PolarHBondContact O-N 3.28Å; M489-I492 PolarHBondContact O-N 3.06Å; F490-I492 VanDerWaalsContact C-N 3.33Å; F490-I492 PolarHBondContact O-N 2.95Å; I492-A496 VanDerWaalsContact O-CB 3.3Å; I492-A496 WeakPolarHBondContact O-CB 3.5Å; I492-A496 PolarHBondContact O-N 3.37Å; I492-A496 VanDerWaalsContact O-N 3.12Å
493	V	94.1	Very high	94.1	Very high	51 Å²	51	61 Å²	61	31%	0.309	32%	0.321	S	S	.	.	H	α-helix	trans	-67.3	-45.7	178.1	176.7	0	0	0	0	110.8	M489 F490 A496 Y497 V554 L558	M489-V493 PolarHBondContact O-N 2.85Å; F490-V493 PolarHBondContact O-N 3.11Å; V493-A496 PolarHBondContact O-N 3.15Å; V493-Y497 HydrophobicContact CG1-CD2 3.84Å; V493-Y497 HydrophobicContact CG1-CE2 3.8Å; V493-Y497 WeakPolarHBondContact O-CD2 3.46Å; V493-Y497 PolarHBondContact O-N 3.34Å; V493-V554 HydrophobicContact CG1-CG2 4.46Å; V493-L558 HydrophobicContact CB-CD1 4.16Å; V493-L558 HydrophobicContact CG1-CD1 4.12Å
494	F	94.3	Very high	94.2	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-53.2	-179.3	-172	-86.7	0	0	0	111.6	F490 F491 A496 Y497 A498 I519 Q522 F523 I526 Y550	F490-F494 HydrophobicContact CD1-CB 4.39Å; F490-F494 HydrophobicContact CE1-CB 4.1Å; F490-F494 AromaticContact CE1-CD2 3.78Å; F490-F494 HydrophobicContact CE1-CD2 3.78Å; F490-F494 HydrophobicContact CE1-CE2 4.44Å; F490-F494 HydrophobicContact CE1-CG 4.04Å; F490-F494 HydrophobicContact CE2-CD2 4.41Å; F490-F494 HydrophobicContact CZ-CB 4.44Å; F490-F494 AromaticContact CZ-CD2 3.55Å; F490-F494 HydrophobicContact CZ-CD2 3.55Å; F490-F494 HydrophobicContact CZ-CE2 4.12Å; F490-F494 HydrophobicContact CZ-CG 4.24Å; F490-F494 VanDerWaalsContact O-CB 3.25Å; F490-F494 WeakPolarHBondContact O-CB 3.23Å; F490-F494 PolarHBondContact O-N 3.11Å; F491-F494 PolarHBondContact O-N 3.13Å; F494-A496 VanDerWaalsContact C-N 3.33Å; F494-A496 PolarHBondContact O-N 3.07Å; F494-Y497 PolarHBondContact O-N 3.05Å; F494-A498 PolarHBondContact O-N 3.16Å; F494-I519 HydrophobicContact CE1-CB 4.41Å; F494-I519 HydrophobicContact CE1-CG1 4.3Å; F494-I519 HydrophobicContact CE1-CG2 4.08Å; F494-Q522 HydrophobicContact CE1-CB 4.35Å; F494-Q522 VanDerWaalsContact CE1-OE1 3.27Å; F494-Q522 HydrophobicContact CE2-CB 3.8Å; F494-Q522 HydrophobicContact CZ-CB 3.58Å; F494-Q522 PolarHBondContact O-OE1 3.02Å; F494-F523 HydrophobicContact CE1-CD2 4.45Å; F494-F523 AromaticContact CE1-CE2 3.93Å; F494-F523 HydrophobicContact CE1-CE2 3.93Å; F494-F523 HydrophobicContact CE1-CZ 4.2Å; F494-F523 HydrophobicContact CE2-CD1 4.19Å; F494-F523 HydrophobicContact CE2-CD2 4.43Å; F494-F523 AromaticContact CE2-CE1 3.98Å; F494-F523 HydrophobicContact CE2-CE1 3.98Å; F494-F523 HydrophobicContact CE2-CE2 4.23Å; F494-F523 HydrophobicContact CE2-CG 4.41Å; F494-F523 AromaticContact CE2-CZ 3.99Å; F494-F523 HydrophobicContact CE2-CZ 3.99Å; F494-F523 HydrophobicContact CZ-CD1 4.22Å; F494-F523 AromaticContact CZ-CD2 3.67Å; F494-F523 HydrophobicContact CZ-CD2 3.67Å; F494-F523 HydrophobicContact CZ-CE1 4.03Å; F494-F523 AromaticContact CZ-CE2 3.45Å; F494-F523 HydrophobicContact CZ-CE2 3.45Å; F494-F523 VanDerWaalsContact CZ-CE2 3.45Å; F494-F523 HydrophobicContact CZ-CG 4.05Å; F494-F523 AromaticContact CZ-CZ 3.64Å; F494-F523 HydrophobicContact CZ-CZ 3.64Å; F494-I526 HydrophobicContact CE2-CD1 4.04Å; F494-Y550 WeakPolarHBondContact CE2-OH 3.18Å
495	F	95.8	Very high	94.4	Very high	88 Å²	88	56.4 Å²	56.4	39%	0.386	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-30.6	177.9	-66	-48.2	0	0	0	113.3	F491 A498 Q499 F515 I519	F491-F495 HydrophobicContact CB-CD2 4.09Å; F491-F495 HydrophobicContact CB-CE2 3.86Å; F491-F495 AromaticContact CD1-CE2 3.87Å; F491-F495 HydrophobicContact CD1-CE2 3.87Å; F491-F495 AromaticContact CD1-CZ 3.92Å; F491-F495 HydrophobicContact CD1-CZ 3.92Å; F491-F495 HydrophobicContact CG-CE2 4.14Å; F491-F495 WeakPolarHBondContact O-CB 3.41Å; F491-F495 WeakPolarHBondContact O-CD2 3.35Å; F491-F495 WeakPolarHBondContact O-CG 3.31Å; F491-F495 PolarHBondContact O-N 3.24Å; F495-A498 PolarHBondContact O-N 2.97Å; F495-Q499 WeakPolarHBondContact O-CB 3.45Å; F495-Q499 PolarHBondContact O-N 3.44Å; F495-F515 HydrophobicContact CD1-CZ 4.23Å; F495-I519 HydrophobicContact CD1-CD1 4.14Å; F495-I519 HydrophobicContact CD1-CG1 4.27Å; F495-I519 HydrophobicContact CE1-CD1 3.75Å; F495-I519 HydrophobicContact CE1-CG1 4.1Å
496	A	96.8	Very high	94.6	Very high	61 Å²	61	55.4 Å²	55.4	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-44.9	172.5	0	0	0	0	0	111.5	I492 V493 F494 A498 L500	I492-A496 VanDerWaalsContact O-CB 3.3Å; I492-A496 WeakPolarHBondContact O-CB 3.5Å; I492-A496 PolarHBondContact O-N 3.37Å; I492-A496 VanDerWaalsContact O-N 3.12Å; V493-A496 PolarHBondContact O-N 3.15Å; F494-A496 VanDerWaalsContact C-N 3.33Å; F494-A496 PolarHBondContact O-N 3.07Å; A496-A498 VanDerWaalsContact C-N 3.34Å; A496-L500 WeakPolarHBondContact O-CB 3.24Å; A496-L500 PolarHBondContact O-N 3.13Å
497	Y	96.2	Very high	94.6	Very high	33 Å²	33	60.8 Å²	60.8	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-32.5	171.1	-80.2	-82.2	0	0	0	112.1	V493 F494 L500 G501 Q522 Y546 Y550 F553	V493-Y497 HydrophobicContact CG1-CD2 3.84Å; V493-Y497 HydrophobicContact CG1-CE2 3.8Å; V493-Y497 WeakPolarHBondContact O-CD2 3.46Å; V493-Y497 PolarHBondContact O-N 3.34Å; F494-Y497 PolarHBondContact O-N 3.05Å; Y497-L500 HydrophobicContact CD1-CD2 4.28Å; Y497-L500 PolarHBondContact O-N 3.18Å; Y497-G501 PolarHBondContact O-N 3.03Å; Y497-Q522 PolarHBondContact O-NE2 2.94Å; Y497-Y546 HydrophobicContact CD1-CD2 4.04Å; Y497-Y546 AromaticContact CD1-CE2 3.78Å; Y497-Y546 HydrophobicContact CD1-CE2 3.78Å; Y497-Y546 WeakPolarHBondContact O-CE2 3.13Å; Y497-Y546 PolarHBondContact O-OH 3.41Å; Y497-Y550 AromaticContact CD1-CD2 3.97Å; Y497-Y550 HydrophobicContact CD1-CD2 3.97Å; Y497-Y550 HydrophobicContact CD2-CD2 4.12Å; Y497-Y550 AromaticContact CG-CD2 3.72Å; Y497-Y550 HydrophobicContact CG-CD2 3.72Å; Y497-Y550 HydrophobicContact CG-CE2 4.44Å; Y497-F553 WeakPolarHBondContact OH-CD2 3.36Å
498	A	96.5	Very high	94.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.3	-43.6	179.7	0	0	0	0	0	111	F494 F495 A496 G501 Y502 F515 I519	F494-A498 PolarHBondContact O-N 3.16Å; F495-A498 PolarHBondContact O-N 2.97Å; A496-A498 VanDerWaalsContact C-N 3.34Å; A498-G501 PolarHBondContact O-N 3.27Å; A498-Y502 WeakPolarHBondContact O-CB 3.45Å; A498-Y502 PolarHBondContact O-N 3.12Å; A498-F515 HydrophobicContact CB-CE2 4.04Å; A498-F515 HydrophobicContact CB-CZ 4.47Å; A498-I519 HydrophobicContact CB-CG1 4.22Å
499	Q	96.9	Very high	94.7	Very high	85 Å²	85	61.9 Å²	61.9	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-40	173.3	-171.8	63.9	30.4	0	0	111.6	F495 L503 F515	F495-Q499 WeakPolarHBondContact O-CB 3.45Å; F495-Q499 PolarHBondContact O-N 3.44Å; Q499-L503 HydrophobicContact CG-CD1 4.16Å; Q499-L503 WeakPolarHBondContact O-CB 3.37Å; Q499-L503 VanDerWaalsContact O-CG 3.28Å; Q499-L503 WeakPolarHBondContact O-CG 3.38Å; Q499-L503 PolarHBondContact O-N 2.93Å; Q499-F515 HydrophobicContact CB-CE2 4.3Å
500	L	96.1	Very high	94.7	Very high	76 Å²	76	62.8 Å²	62.8	40%	0.398	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-46.5	175.8	-178	61.9	0	0	0	111.7	A496 Y497 L503 L504 Y546	A496-L500 WeakPolarHBondContact O-CB 3.24Å; A496-L500 PolarHBondContact O-N 3.13Å; Y497-L500 HydrophobicContact CD1-CD2 4.28Å; Y497-L500 PolarHBondContact O-N 3.18Å; L500-L503 PolarHBondContact O-N 2.89Å; L500-L504 HydrophobicContact CD1-CD1 3.75Å; L500-L504 HydrophobicContact CD1-CG 4.01Å; L500-L504 HydrophobicContact CG-CD1 3.85Å; L500-L504 HydrophobicContact CG-CG 4.4Å; L500-L504 WeakPolarHBondContact O-CB 3.3Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.45Å; L500-L504 PolarHBondContact O-N 3.38Å; L500-Y546 HydrophobicContact CB-CE2 4.42Å; L500-Y546 HydrophobicContact CD2-CD2 3.94Å; L500-Y546 HydrophobicContact CD2-CE2 4.39Å; L500-Y546 HydrophobicContact CG-CD2 4.1Å; L500-Y546 HydrophobicContact CG-CE2 4.36Å
501	G	95.5	Very high	94.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-41.5	177.5	0	0	0	0	0	112.7	Y497 A498 L503 L504 F505	Y497-G501 PolarHBondContact O-N 3.03Å; A498-G501 PolarHBondContact O-N 3.27Å; G501-L503 PolarHBondContact O-N 3.48Å; G501-L504 PolarHBondContact O-N 2.94Å; G501-F505 WeakPolarHBondContact O-CD2 3.26Å; G501-F505 PolarHBondContact O-N 3.47Å
502	Y	96.6	Very high	94.8	Very high	95 Å²	95	59.2 Å²	59.2	37%	0.373	31%	0.313	S	S	.	.	H	α-helix	trans	-57.4	-47.2	173	-178.2	-110	0	0	0	111.9	A498 G506 F512	A498-Y502 WeakPolarHBondContact O-CB 3.45Å; A498-Y502 PolarHBondContact O-N 3.12Å; Y502-G506 WeakPolarHBondContact O-CA 3.29Å; Y502-G506 PolarHBondContact O-N 3.42Å; Y502-F512 WeakPolarHBondContact CD2-O 3.38Å
503	L	95.9	Very high	94.7	Very high	125 Å²	125	55.8 Å²	55.8	65%	0.654	30%	0.299	S	S	*	.	H	α-helix	trans	-75	-23.7	-178.7	-68.6	173.9	0	0	0	114.3	Q499 L500 G501	Q499-L503 HydrophobicContact CG-CD1 4.16Å; Q499-L503 WeakPolarHBondContact O-CB 3.37Å; Q499-L503 VanDerWaalsContact O-CG 3.28Å; Q499-L503 WeakPolarHBondContact O-CG 3.38Å; Q499-L503 PolarHBondContact O-N 2.93Å; L500-L503 PolarHBondContact O-N 2.89Å; G501-L503 PolarHBondContact O-N 3.48Å
504	L	94.9	Very high	94.7	Very high	47 Å²	47	56.3 Å²	56.3	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-92.1	-33.2	179.6	-72.1	-179.8	0	0	0	114.1	L500 G501 L542	L500-L504 HydrophobicContact CD1-CD1 3.75Å; L500-L504 HydrophobicContact CD1-CG 4.01Å; L500-L504 HydrophobicContact CG-CD1 3.85Å; L500-L504 HydrophobicContact CG-CG 4.4Å; L500-L504 WeakPolarHBondContact O-CB 3.3Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.45Å; L500-L504 PolarHBondContact O-N 3.38Å; G501-L504 PolarHBondContact O-N 2.94Å; L504-L542 HydrophobicContact CD1-CB 4.21Å; L504-L542 HydrophobicContact CD2-CB 4.48Å; L504-L542 HydrophobicContact CD2-CD1 3.66Å
505	F	95.6	Very high	94.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-126.7	-9.1	-168.3	-45.2	-61.5	0	0	0	113.9	G501 T507 E508 V509 F512 I535 A538 N539 Y546	G501-F505 WeakPolarHBondContact O-CD2 3.26Å; G501-F505 PolarHBondContact O-N 3.47Å; F505-T507 PolarHBondContact O-N 2.82Å; F505-T507 VanDerWaalsContact O-N 3.14Å; F505-E508 PolarHBondContact O-N 3.45Å; F505-E508 VanDerWaalsContact O-N 3.12Å; F505-V509 HydrophobicContact CB-CB 4.28Å; F505-V509 HydrophobicContact CB-CG2 4.12Å; F505-V509 PolarHBondContact O-N 3.31Å; F505-F512 HydrophobicContact CB-CB 4.01Å; F505-F512 HydrophobicContact CB-CD2 3.91Å; F505-F512 HydrophobicContact CB-CG 3.96Å; F505-F512 HydrophobicContact CD2-CD1 4.36Å; F505-F512 HydrophobicContact CD2-CD2 4.34Å; F505-F512 HydrophobicContact CD2-CE1 4.35Å; F505-F512 HydrophobicContact CD2-CE2 4.32Å; F505-F512 HydrophobicContact CD2-CG 4.37Å; F505-F512 HydrophobicContact CD2-CZ 4.33Å; F505-F512 HydrophobicContact CG-CD2 4.49Å; F505-I535 HydrophobicContact CD1-CG2 4.5Å; F505-I535 HydrophobicContact CE1-CG2 4Å; F505-I535 HydrophobicContact CE2-CG2 4.37Å; F505-I535 HydrophobicContact CZ-CG2 3.95Å; F505-A538 HydrophobicContact CD1-CB 4.01Å; F505-N539 HydrophobicContact CE1-CB 4.16Å; F505-Y546 AromaticContact CE2-CD1 3.66Å; F505-Y546 HydrophobicContact CE2-CD1 3.66Å; F505-Y546 HydrophobicContact CE2-CD2 4.09Å; F505-Y546 HydrophobicContact CE2-CE1 4.07Å; F505-Y546 HydrophobicContact CE2-CE2 4.44Å; F505-Y546 AromaticContact CE2-CG 3.69Å; F505-Y546 HydrophobicContact CE2-CG 3.69Å; F505-Y546 HydrophobicContact CZ-CD1 4.18Å; F505-Y546 HydrophobicContact CZ-CG 4.03Å
506	G	94.1	Very high	94.5	Very high	20 Å²	20	59.7 Å²	59.7	21%	0.206	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.8	-172.2	0	0	0	0	0	116.1	Y502 F512	Y502-G506 WeakPolarHBondContact O-CA 3.29Å; Y502-G506 PolarHBondContact O-N 3.42Å; G506-F512 WeakPolarHBondContact CA-O 3.38Å
507	T	92.8	Very high	94.4	Very high	125 Å²	125	59.8 Å²	59.8	77%	0.767	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-29.5	173.2	59.2	0	0	0	0	113.4	F505	F505-T507 PolarHBondContact O-N 2.82Å; F505-T507 VanDerWaalsContact O-N 3.14Å
508	E	91.5	Very high	94.3	Very high	140 Å²	140	58.2 Å²	58.2	65%	0.654	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-30.3	-171.7	-55.9	-55.1	122.7	0	0	113.3	F505 A538	F505-E508 PolarHBondContact O-N 3.45Å; F505-E508 VanDerWaalsContact O-N 3.12Å; E508-A538 HydrophobicContact CB-CB 3.76Å; E508-A538 HydrophobicContact CG-CB 4.12Å
509	V	94.3	Very high	94.3	Very high	11 Å²	11	59.7 Å²	59.7	7%	0.067	31%	0.314	C	S	.	.			trans	-117.2	114.6	-169.2	-173.3	0	0	0	0	110.3	F505 S511 F512 S513 A534 A538	F505-V509 HydrophobicContact CB-CB 4.28Å; F505-V509 HydrophobicContact CB-CG2 4.12Å; F505-V509 PolarHBondContact O-N 3.31Å; V509-S511 PolarHBondContact O-N 3.3Å; V509-S511 VanDerWaalsContact O-N 3.13Å; V509-F512 HydrophobicContact CB-CD2 4.06Å; V509-F512 HydrophobicContact CG1-CD2 3.83Å; V509-F512 HydrophobicContact CG1-CE2 4.44Å; V509-F512 CarbonylContact O-C 3.51Å; V509-F512 WeakPolarHBondContact O-CA 3.46Å; V509-F512 PolarHBondContact O-N 3.03Å; V509-S513 PolarHBondContact O-N 3.4Å; V509-A534 HydrophobicContact CG1-CB 4.02Å; V509-A534 HydrophobicContact CG2-CB 4.2Å; V509-A538 HydrophobicContact CG2-CB 3.71Å
510	E	90.8	Very high	94.2	Very high	134 Å²	134	62 Å²	62	63%	0.626	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-58.5	-32.2	-175.7	-161.1	-116.5	120.4	0	0	112.8	F512 S513 K517	E510-F512 PolarHBondContact O-N 3.41Å; E510-S513 VanDerWaalsContact O-CB 3.31Å; E510-S513 WeakPolarHBondContact O-CB 3.36Å; E510-S513 PolarHBondContact O-N 2.85Å; E510-S513 PolarHBondContact O-OG 3.23Å; E510-K517 WeakPolarHBondContact O-CD 3.36Å; E510-K517 IonicContact OE1-NZ 2.77Å; E510-K517 PolarHBondContact OE1-NZ 3.12Å
511	S	93.9	Very high	94.1	Very high	36 Å²	36	59.1 Å²	59.1	25%	0.252	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64	-17	174.2	-43.5	0	0	0	0	114.3	V509 K517 T521	V509-S511 PolarHBondContact O-N 3.3Å; V509-S511 VanDerWaalsContact O-N 3.13Å; S511-K517 CarbonylContact O-C 3.54Å; S511-T521 WeakPolarHBondContact CB-OG1 3.21Å; S511-T521 PolarHBondContact O-OG1 3.19Å
512	F	95	Very high	94	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-112.7	4	173.7	-65.9	-87.5	0	0	0	113	Y502 F505 G506 V509 E510 T514 C518 T521 I535 Y546	Y502-F512 WeakPolarHBondContact CD2-O 3.38Å; F505-F512 HydrophobicContact CB-CB 4.01Å; F505-F512 HydrophobicContact CB-CD2 3.91Å; F505-F512 HydrophobicContact CB-CG 3.96Å; F505-F512 HydrophobicContact CD2-CD1 4.36Å; F505-F512 HydrophobicContact CD2-CD2 4.34Å; F505-F512 HydrophobicContact CD2-CE1 4.35Å; F505-F512 HydrophobicContact CD2-CE2 4.32Å; F505-F512 HydrophobicContact CD2-CG 4.37Å; F505-F512 HydrophobicContact CD2-CZ 4.33Å; F505-F512 HydrophobicContact CG-CD2 4.49Å; G506-F512 WeakPolarHBondContact CA-O 3.38Å; V509-F512 HydrophobicContact CB-CD2 4.06Å; V509-F512 HydrophobicContact CG1-CD2 3.83Å; V509-F512 HydrophobicContact CG1-CE2 4.44Å; V509-F512 CarbonylContact O-C 3.51Å; V509-F512 WeakPolarHBondContact O-CA 3.46Å; V509-F512 PolarHBondContact O-N 3.03Å; E510-F512 PolarHBondContact O-N 3.41Å; F512-T514 PolarHBondContact O-N 3.13Å; F512-T514 VanDerWaalsContact O-N 3.09Å; F512-C518 VanDerWaalsContact CA-SG 3.54Å; F512-C518 HydrophobicContact CD1-CB 4.15Å; F512-C518 PolarHBondContact O-SG 3.2Å; F512-T521 HydrophobicContact CD2-CG2 4.48Å; F512-T521 HydrophobicContact CE1-CG2 4.23Å; F512-T521 HydrophobicContact CE2-CG2 3.83Å; F512-T521 HydrophobicContact CZ-CG2 3.68Å; F512-I535 HydrophobicContact CE2-CD1 3.99Å; F512-I535 HydrophobicContact CE2-CG1 4.02Å; F512-I535 HydrophobicContact CZ-CD1 4.27Å; F512-Y546 HydrophobicContact CE1-CE1 4.48Å; F512-Y546 HydrophobicContact CZ-CE1 4.33Å
513	S	91.9	Very high	93.9	Very high	42 Å²	42	58.6 Å²	58.6	29%	0.294	31%	0.309	S	S	.	.	S	Bend	trans	-61.1	-20.6	-174.5	57.6	0	0	0	0	115.5	V509 E510 K517	V509-S513 PolarHBondContact O-N 3.4Å; E510-S513 VanDerWaalsContact O-CB 3.31Å; E510-S513 WeakPolarHBondContact O-CB 3.36Å; E510-S513 PolarHBondContact O-N 2.85Å; E510-S513 PolarHBondContact O-OG 3.23Å; S513-K517 WeakPolarHBondContact OG-CD 3.09Å; S513-K517 PolarHBondContact OG-NZ 2.88Å
514	T	93	Very high	93.8	Very high	61 Å²	61	57.9 Å²	57.9	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	-135.7	150.6	170.8	76.4	0	0	0	0	110.4	F512 V516 K517 C518	F512-T514 PolarHBondContact O-N 3.13Å; F512-T514 VanDerWaalsContact O-N 3.09Å; T514-V516 PolarHBondContact O-N 3.12Å; T514-K517 CarbonylContact O-C 3.57Å; T514-K517 WeakPolarHBondContact O-CA 3.49Å; T514-K517 PolarHBondContact O-N 3.14Å; T514-K517 WeakPolarHBondContact OG1-CG 3.39Å; T514-K517 PolarHBondContact OG1-N 3.09Å; T514-K517 VanDerWaalsContact OG1-N 3.1Å; T514-C518 PolarHBondContact O-N 3.27Å; T514-C518 PolarHBondContact O-SG 2.91Å
515	F	93.2	Very high	93.7	Very high	73 Å²	73	56 Å²	56	32%	0.32	29%	0.288	S	S	.	.	H	α-helix	trans	-56	-33.8	177.3	-177.2	-102.7	0	0	0	112.8	F495 A498 Q499 C518 I519	F495-F515 HydrophobicContact CD1-CZ 4.23Å; A498-F515 HydrophobicContact CB-CE2 4.04Å; A498-F515 HydrophobicContact CB-CZ 4.47Å; Q499-F515 HydrophobicContact CB-CE2 4.3Å; F515-C518 WeakPolarHBondContact O-CB 3.31Å; F515-C518 PolarHBondContact O-N 3.16Å; F515-I519 HydrophobicContact CD1-CD1 3.93Å; F515-I519 HydrophobicContact CE1-CD1 3.6Å; F515-I519 HydrophobicContact CZ-CD1 4.19Å; F515-I519 PolarHBondContact O-N 3.19Å
516	V	93.5	Very high	93.5	Very high	87 Å²	87	57.5 Å²	57.5	53%	0.527	30%	0.295	S	S	.	.	H	α-helix	trans	-70.3	-42.3	175	178	0	0	0	0	111.4	T514 C518 I519 F520	T514-V516 PolarHBondContact O-N 3.12Å; V516-C518 VanDerWaalsContact C-N 3.32Å; V516-C518 PolarHBondContact O-N 2.96Å; V516-I519 PolarHBondContact O-N 2.89Å; V516-F520 HydrophobicContact CG1-CD2 4.05Å; V516-F520 HydrophobicContact CG1-CE2 3.66Å; V516-F520 WeakPolarHBondContact O-CD2 3.37Å; V516-F520 PolarHBondContact O-N 3.07Å
517	K	93.4	Very high	93.4	Very high	64 Å²	64	63.5 Å²	63.5	28%	0.278	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-39.1	171.3	-76.5	179.5	-180	-179.9	0	111.6	E510 S511 S513 T514 I519 F520 T521	E510-K517 WeakPolarHBondContact O-CD 3.36Å; E510-K517 IonicContact OE1-NZ 2.77Å; E510-K517 PolarHBondContact OE1-NZ 3.12Å; S511-K517 CarbonylContact O-C 3.54Å; S513-K517 WeakPolarHBondContact OG-CD 3.09Å; S513-K517 PolarHBondContact OG-NZ 2.88Å; T514-K517 CarbonylContact O-C 3.57Å; T514-K517 WeakPolarHBondContact O-CA 3.49Å; T514-K517 PolarHBondContact O-N 3.14Å; T514-K517 WeakPolarHBondContact OG1-CG 3.39Å; T514-K517 PolarHBondContact OG1-N 3.09Å; T514-K517 VanDerWaalsContact OG1-N 3.1Å; K517-I519 VanDerWaalsContact C-N 3.33Å; K517-I519 PolarHBondContact O-N 3.07Å; K517-F520 PolarHBondContact O-N 3.19Å; K517-F520 VanDerWaalsContact O-N 3.15Å; K517-T521 WeakPolarHBondContact O-CB 3.49Å; K517-T521 PolarHBondContact O-N 3.36Å; K517-T521 PolarHBondContact O-OG1 3.47Å
518	C	95.1	Very high	93.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.2	-45.3	175.7	-61.5	0	0	0	0	112.2	F512 T514 F515 V516 T521 Q522	F512-C518 VanDerWaalsContact CA-SG 3.54Å; F512-C518 HydrophobicContact CD1-CB 4.15Å; F512-C518 PolarHBondContact O-SG 3.2Å; T514-C518 PolarHBondContact O-N 3.27Å; T514-C518 PolarHBondContact O-SG 2.91Å; F515-C518 WeakPolarHBondContact O-CB 3.31Å; F515-C518 PolarHBondContact O-N 3.16Å; V516-C518 VanDerWaalsContact C-N 3.32Å; V516-C518 PolarHBondContact O-N 2.96Å; C518-T521 PolarHBondContact O-N 3.33Å; C518-Q522 WeakPolarHBondContact O-CB 3.45Å; C518-Q522 WeakPolarHBondContact O-CG 3.34Å; C518-Q522 PolarHBondContact O-N 3.4Å
519	I	95.4	Very high	93.4	Very high	31 Å²	31	57.2 Å²	57.2	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-46	176.3	-74.7	162	0	0	0	111.2	F494 F495 A498 F515 V516 K517 Q522 F523	F494-I519 HydrophobicContact CE1-CB 4.41Å; F494-I519 HydrophobicContact CE1-CG1 4.3Å; F494-I519 HydrophobicContact CE1-CG2 4.08Å; F495-I519 HydrophobicContact CD1-CD1 4.14Å; F495-I519 HydrophobicContact CD1-CG1 4.27Å; F495-I519 HydrophobicContact CE1-CD1 3.75Å; F495-I519 HydrophobicContact CE1-CG1 4.1Å; A498-I519 HydrophobicContact CB-CG1 4.22Å; F515-I519 HydrophobicContact CD1-CD1 3.93Å; F515-I519 HydrophobicContact CE1-CD1 3.6Å; F515-I519 HydrophobicContact CZ-CD1 4.19Å; F515-I519 PolarHBondContact O-N 3.19Å; V516-I519 PolarHBondContact O-N 2.89Å; K517-I519 VanDerWaalsContact C-N 3.33Å; K517-I519 PolarHBondContact O-N 3.07Å; I519-Q522 PolarHBondContact O-N 2.87Å; I519-F523 HydrophobicContact CG2-CD2 4.25Å; I519-F523 HydrophobicContact CG2-CE2 4.05Å; I519-F523 VanDerWaalsContact O-CD2 3.26Å; I519-F523 WeakPolarHBondContact O-CD2 3.33Å; I519-F523 PolarHBondContact O-N 2.64Å
520	F	94.9	Very high	93.2	Very high	133 Å²	133	60.8 Å²	60.8	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-67.6	-42.9	177.3	-72.1	-61.8	0	0	0	112.6	V516 K517 Q522 F523 R524	V516-F520 HydrophobicContact CG1-CD2 4.05Å; V516-F520 HydrophobicContact CG1-CE2 3.66Å; V516-F520 WeakPolarHBondContact O-CD2 3.37Å; V516-F520 PolarHBondContact O-N 3.07Å; K517-F520 PolarHBondContact O-N 3.19Å; K517-F520 VanDerWaalsContact O-N 3.15Å; F520-Q522 VanDerWaalsContact C-N 3.26Å; F520-Q522 PolarHBondContact O-N 3.1Å; F520-F523 PolarHBondContact O-N 2.61Å; F520-F523 VanDerWaalsContact O-N 3.11Å; F520-R524 WeakPolarHBondContact O-CG 3.48Å; F520-R524 PolarHBondContact O-N 3.44Å
521	T	94.7	Very high	93.2	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-36.6	176.5	-62.4	0	0	0	0	111.8	S511 F512 K517 C518 R524 I525	S511-T521 WeakPolarHBondContact CB-OG1 3.21Å; S511-T521 PolarHBondContact O-OG1 3.19Å; F512-T521 HydrophobicContact CD2-CG2 4.48Å; F512-T521 HydrophobicContact CE1-CG2 4.23Å; F512-T521 HydrophobicContact CE2-CG2 3.83Å; F512-T521 HydrophobicContact CZ-CG2 3.68Å; K517-T521 WeakPolarHBondContact O-CB 3.49Å; K517-T521 PolarHBondContact O-N 3.36Å; K517-T521 PolarHBondContact O-OG1 3.47Å; C518-T521 PolarHBondContact O-N 3.33Å; T521-R524 PolarHBondContact O-N 2.87Å; T521-I525 HydrophobicContact CG2-CD1 4.31Å; T521-I525 VanDerWaalsContact O-CG1 3.32Å; T521-I525 WeakPolarHBondContact O-CG1 3.42Å; T521-I525 PolarHBondContact O-N 2.79Å
522	Q	94.3	Very high	93.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-44.1	171.9	-82.6	-173.3	-19.4	0	0	113.5	F494 Y497 C518 I519 F520 R524 I525 I526 Y546 Y550	F494-Q522 HydrophobicContact CE1-CB 4.35Å; F494-Q522 VanDerWaalsContact CE1-OE1 3.27Å; F494-Q522 HydrophobicContact CE2-CB 3.8Å; F494-Q522 HydrophobicContact CZ-CB 3.58Å; F494-Q522 PolarHBondContact O-OE1 3.02Å; Y497-Q522 PolarHBondContact O-NE2 2.94Å; C518-Q522 WeakPolarHBondContact O-CB 3.45Å; C518-Q522 WeakPolarHBondContact O-CG 3.34Å; C518-Q522 PolarHBondContact O-N 3.4Å; I519-Q522 PolarHBondContact O-N 2.87Å; F520-Q522 VanDerWaalsContact C-N 3.26Å; F520-Q522 PolarHBondContact O-N 3.1Å; Q522-R524 VanDerWaalsContact C-N 3.3Å; Q522-R524 PolarHBondContact O-N 3.19Å; Q522-I525 PolarHBondContact O-N 3.3Å; Q522-I526 WeakPolarHBondContact O-CG1 3.45Å; Q522-I526 PolarHBondContact O-N 3.45Å; Q522-Y546 PolarHBondContact NE2-OH 3.03Å; Q522-Y546 VanDerWaalsContact NE2-OH 3.16Å; Q522-Y550 HydrophobicContact CB-CE2 4.37Å; Q522-Y550 WeakPolarHBondContact CB-OH 3.34Å; Q522-Y550 HydrophobicContact CG-CE2 3.87Å; Q522-Y550 PolarHBondContact O-OH 3.41Å
523	F	93.9	Very high	93.1	Very high	83 Å²	83	64.8 Å²	64.8	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-35.7	172.3	-75.9	-64	0	0	0	112.3	F494 I519 F520 I526 L527	F494-F523 HydrophobicContact CE1-CD2 4.45Å; F494-F523 AromaticContact CE1-CE2 3.93Å; F494-F523 HydrophobicContact CE1-CE2 3.93Å; F494-F523 HydrophobicContact CE1-CZ 4.2Å; F494-F523 HydrophobicContact CE2-CD1 4.19Å; F494-F523 HydrophobicContact CE2-CD2 4.43Å; F494-F523 AromaticContact CE2-CE1 3.98Å; F494-F523 HydrophobicContact CE2-CE1 3.98Å; F494-F523 HydrophobicContact CE2-CE2 4.23Å; F494-F523 HydrophobicContact CE2-CG 4.41Å; F494-F523 AromaticContact CE2-CZ 3.99Å; F494-F523 HydrophobicContact CE2-CZ 3.99Å; F494-F523 HydrophobicContact CZ-CD1 4.22Å; F494-F523 AromaticContact CZ-CD2 3.67Å; F494-F523 HydrophobicContact CZ-CD2 3.67Å; F494-F523 HydrophobicContact CZ-CE1 4.03Å; F494-F523 AromaticContact CZ-CE2 3.45Å; F494-F523 HydrophobicContact CZ-CE2 3.45Å; F494-F523 VanDerWaalsContact CZ-CE2 3.45Å; F494-F523 HydrophobicContact CZ-CG 4.05Å; F494-F523 AromaticContact CZ-CZ 3.64Å; F494-F523 HydrophobicContact CZ-CZ 3.64Å; I519-F523 HydrophobicContact CG2-CD2 4.25Å; I519-F523 HydrophobicContact CG2-CE2 4.05Å; I519-F523 VanDerWaalsContact O-CD2 3.26Å; I519-F523 WeakPolarHBondContact O-CD2 3.33Å; I519-F523 PolarHBondContact O-N 2.64Å; F520-F523 PolarHBondContact O-N 2.61Å; F520-F523 VanDerWaalsContact O-N 3.11Å; F523-I526 HydrophobicContact CD1-CD1 4.25Å; F523-I526 PolarHBondContact O-N 2.86Å; F523-L527 WeakPolarHBondContact O-CG 3.41Å; F523-L527 PolarHBondContact O-N 2.82Å; F523-L527 VanDerWaalsContact O-N 3.1Å
524	R	94	Very high	93.1	Very high	110 Å²	110	63.3 Å²	63.3	42%	0.415	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-42.1	173.2	-65	176.1	66.5	-165.2	-3.1	112	F520 T521 Q522 I526 L527 G528 D529	F520-R524 WeakPolarHBondContact O-CG 3.48Å; F520-R524 PolarHBondContact O-N 3.44Å; T521-R524 PolarHBondContact O-N 2.87Å; Q522-R524 VanDerWaalsContact C-N 3.3Å; Q522-R524 PolarHBondContact O-N 3.19Å; R524-I526 VanDerWaalsContact C-N 3.33Å; R524-I526 PolarHBondContact O-N 3.13Å; R524-L527 CarbonylContact O-C 3.57Å; R524-L527 WeakPolarHBondContact O-CA 3.24Å; R524-L527 WeakPolarHBondContact O-CB 3.2Å; R524-L527 PolarHBondContact O-N 3.22Å; R524-G528 PolarHBondContact O-N 2.97Å; R524-G528 VanDerWaalsContact O-N 3.08Å; R524-D529 CarbonylContact C-O 3.59Å; R524-D529 HydrophobicContact CB-CB 4.28Å; R524-D529 WeakPolarHBondContact CB-O 3.27Å; R524-D529 IonicContact CZ-OD1 3.64Å; R524-D529 IonicContact CZ-OD2 3.91Å; R524-D529 IonicContact NE-OD1 3.43Å; R524-D529 IonicContact NE-OD2 3.55Å; R524-D529 PolarHBondContact NE-OD2 3.23Å; R524-D529 IonicContact NH2-OD1 2.69Å; R524-D529 PolarHBondContact NH2-OD1 3.26Å; R524-D529 IonicContact NH2-OD2 2.84Å; R524-D529 PolarHBondContact NH2-OD2 2.97Å; R524-D529 PolarHBondContact O-N 3.21Å
525	I	93.3	Very high	93.2	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.046	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-43.3	172.6	-67.7	160	0	0	0	111.2	T521 Q522 L527 G528 D529 F530 F547 Y550 V551	T521-I525 HydrophobicContact CG2-CD1 4.31Å; T521-I525 VanDerWaalsContact O-CG1 3.32Å; T521-I525 WeakPolarHBondContact O-CG1 3.42Å; T521-I525 PolarHBondContact O-N 2.79Å; Q522-I525 PolarHBondContact O-N 3.3Å; I525-L527 VanDerWaalsContact C-N 3.26Å; I525-L527 PolarHBondContact O-N 3.32Å; I525-G528 PolarHBondContact O-N 2.96Å; I525-G528 VanDerWaalsContact O-N 3.09Å; I525-D529 PolarHBondContact N-O 3.42Å; I525-F530 HydrophobicContact CG1-CB 3.71Å; I525-F530 HydrophobicContact CG1-CG 4.39Å; I525-F547 HydrophobicContact CG2-CE2 4.01Å; I525-Y550 HydrophobicContact CB-CE1 4.13Å; I525-Y550 HydrophobicContact CG2-CD1 3.76Å; I525-Y550 HydrophobicContact CG2-CE1 3.7Å; I525-V551 HydrophobicContact CG2-CG2 4.27Å
526	I	91.4	Very high	93.2	Very high	31 Å²	31	59 Å²	59	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-35.3	175.4	-67.2	169.6	0	0	0	111.9	F490 F494 Q522 F523 R524 G528 Y550 V554 L559	F490-I526 HydrophobicContact CZ-CD1 4.44Å; F494-I526 HydrophobicContact CE2-CD1 4.04Å; Q522-I526 WeakPolarHBondContact O-CG1 3.45Å; Q522-I526 PolarHBondContact O-N 3.45Å; F523-I526 HydrophobicContact CD1-CD1 4.25Å; F523-I526 PolarHBondContact O-N 2.86Å; R524-I526 VanDerWaalsContact C-N 3.33Å; R524-I526 PolarHBondContact O-N 3.13Å; I526-G528 VanDerWaalsContact C-N 3.29Å; I526-Y550 WeakPolarHBondContact CD1-OH 3.42Å; I526-Y550 HydrophobicContact CG1-CE1 4.18Å; I526-V554 HydrophobicContact CD1-CG1 3.79Å; I526-V554 HydrophobicContact CG1-CG1 4.18Å; I526-L559 HydrophobicContact CG2-CD1 4.05Å
527	L	91.8	Very high	93.3	Very high	146 Å²	146	62.7 Å²	62.7	76%	0.764	31%	0.306	S	S	*	.	H	α-helix	trans	-79.6	-5.2	177	-66.3	169.2	0	0	0	113.8	F523 R524 I525	F523-L527 WeakPolarHBondContact O-CG 3.41Å; F523-L527 PolarHBondContact O-N 2.82Å; F523-L527 VanDerWaalsContact O-N 3.1Å; R524-L527 CarbonylContact O-C 3.57Å; R524-L527 WeakPolarHBondContact O-CA 3.24Å; R524-L527 WeakPolarHBondContact O-CB 3.2Å; R524-L527 PolarHBondContact O-N 3.22Å; I525-L527 VanDerWaalsContact C-N 3.26Å; I525-L527 PolarHBondContact O-N 3.32Å
528	G	90.6	Very high	93.3	Very high	54 Å²	54	60.9 Å²	60.9	56%	0.557	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	12.4	-178.1	0	0	0	0	0	115.3	R524 I525 I526	R524-G528 PolarHBondContact O-N 2.97Å; R524-G528 VanDerWaalsContact O-N 3.08Å; I525-G528 PolarHBondContact O-N 2.96Å; I525-G528 VanDerWaalsContact O-N 3.09Å; I526-G528 VanDerWaalsContact C-N 3.29Å
529	D	92.6	Very high	93.2	Very high	78 Å²	78	63.3 Å²	63.3	42%	0.417	32%	0.317	S	S	.	.			trans	-107.7	103	180	168.4	23.7	0	0	0	109.9	R524 I525	R524-D529 CarbonylContact C-O 3.59Å; R524-D529 HydrophobicContact CB-CB 4.28Å; R524-D529 WeakPolarHBondContact CB-O 3.27Å; R524-D529 IonicContact CZ-OD1 3.64Å; R524-D529 IonicContact CZ-OD2 3.91Å; R524-D529 IonicContact NE-OD1 3.43Å; R524-D529 IonicContact NE-OD2 3.55Å; R524-D529 PolarHBondContact NE-OD2 3.23Å; R524-D529 IonicContact NH2-OD1 2.69Å; R524-D529 PolarHBondContact NH2-OD1 3.26Å; R524-D529 IonicContact NH2-OD2 2.84Å; R524-D529 PolarHBondContact NH2-OD2 2.97Å; R524-D529 PolarHBondContact O-N 3.21Å; I525-D529 PolarHBondContact N-O 3.42Å
530	F	90.4	Very high	93.2	Very high	86 Å²	86	71.1 Å²	71.1	38%	0.377	34%	0.344	S	S	.	.			trans	-157.5	141.6	-176.1	55.4	-91.8	0	0	0	113.1	I525 Y532 F547	I525-F530 HydrophobicContact CG1-CB 3.71Å; I525-F530 HydrophobicContact CG1-CG 4.39Å; F530-Y532 PolarHBondContact O-N 2.61Å; F530-F547 HydrophobicContact CD1-CE2 4.24Å; F530-F547 HydrophobicContact CD1-CZ 4.42Å; F530-F547 AromaticContact CD2-CE2 3.65Å; F530-F547 HydrophobicContact CD2-CE2 3.65Å; F530-F547 AromaticContact CD2-CZ 3.92Å; F530-F547 HydrophobicContact CD2-CZ 3.92Å; F530-F547 HydrophobicContact CE1-CE2 4.28Å; F530-F547 HydrophobicContact CE1-CZ 4.01Å; F530-F547 HydrophobicContact CE2-CE1 4.41Å; F530-F547 AromaticContact CE2-CE2 3.71Å; F530-F547 HydrophobicContact CE2-CE2 3.71Å; F530-F547 AromaticContact CE2-CZ 3.45Å; F530-F547 HydrophobicContact CE2-CZ 3.45Å; F530-F547 VanDerWaalsContact CE2-CZ 3.45Å; F530-F547 AromaticContact CG-CE2 3.95Å; F530-F547 HydrophobicContact CG-CE2 3.95Å; F530-F547 HydrophobicContact CG-CZ 4.4Å; F530-F547 HydrophobicContact CZ-CE2 4.04Å; F530-F547 AromaticContact CZ-CZ 3.51Å; F530-F547 HydrophobicContact CZ-CZ 3.51Å
531	D	91.6	Very high	93.2	Very high	84 Å²	84	69.4 Å²	69.4	45%	0.449	34%	0.344	S	S	.	.			trans	-88.2	94.1	165.1	-176.3	-10.2	0	0	0	108.8	D533 A534 R537	D531-D533 PolarHBondContact OD1-N 3.47Å; D531-A534 HydrophobicContact CB-CB 4.2Å; D531-A534 VanDerWaalsContact CG-CB 3.47Å; D531-A534 PolarHBondContact OD1-N 3.3Å; D531-A534 WeakPolarHBondContact OD2-CB 3.33Å; D531-R537 IonicContact OD2-NH2 2.72Å
532	Y	92.7	Very high	93.2	Very high	71 Å²	71	72.1 Å²	72.1	28%	0.278	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-34.4	175	178.3	-90.9	0	0	0	111.9	F530 A534 I535 D536 P544 F547	F530-Y532 PolarHBondContact O-N 2.61Å; Y532-A534 VanDerWaalsContact C-N 3.3Å; Y532-A534 PolarHBondContact O-N 2.66Å; Y532-I535 WeakPolarHBondContact O-CA 3.45Å; Y532-I535 WeakPolarHBondContact O-CB 3.5Å; Y532-I535 PolarHBondContact O-N 3.05Å; Y532-D536 HydrophobicContact CE1-CB 4.08Å; Y532-D536 PolarHBondContact O-N 3.47Å; Y532-P544 WeakPolarHBondContact OH-CB 3.46Å; Y532-P544 WeakPolarHBondContact OH-CG 3.42Å; Y532-F547 HydrophobicContact CD2-CB 4.27Å; Y532-F547 AromaticContact CD2-CD1 3.84Å; Y532-F547 HydrophobicContact CD2-CD1 3.84Å; Y532-F547 HydrophobicContact CD2-CD2 4.13Å; Y532-F547 HydrophobicContact CD2-CE1 4.22Å; Y532-F547 HydrophobicContact CD2-CE2 4.48Å; Y532-F547 AromaticContact CD2-CG 3.8Å; Y532-F547 HydrophobicContact CD2-CG 3.8Å; Y532-F547 HydrophobicContact CE2-CB 4.01Å; Y532-F547 AromaticContact CE2-CD1 3.81Å; Y532-F547 HydrophobicContact CE2-CD1 3.81Å; Y532-F547 AromaticContact CE2-CG 3.9Å; Y532-F547 HydrophobicContact CE2-CG 3.9Å
533	D	93.2	Very high	93.2	Very high	101 Å²	101	72.1 Å²	72.1	54%	0.54	36%	0.358	S	S	.	.	H	α-helix	trans	-69.3	-31.4	-174.7	-61.2	-25	0	0	0	111	D531 I535 R537	D531-D533 PolarHBondContact OD1-N 3.47Å; D533-I535 VanDerWaalsContact C-N 3.34Å; D533-R537 VanDerWaalsContact C-CZ 3.48Å; D533-R537 VanDerWaalsContact O-CB 3.27Å; D533-R537 WeakPolarHBondContact O-CB 3.47Å; D533-R537 WeakPolarHBondContact O-CG 3.3Å; D533-R537 PolarHBondContact O-N 3.18Å; D533-R537 PolarHBondContact O-NE 3.45Å
534	A	92.8	Very high	93.3	Very high	12 Å²	12	69.7 Å²	69.7	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-39.3	169.1	0	0	0	0	0	112.4	V509 D531 Y532 R537 A538	V509-A534 HydrophobicContact CG1-CB 4.02Å; V509-A534 HydrophobicContact CG2-CB 4.2Å; D531-A534 HydrophobicContact CB-CB 4.2Å; D531-A534 VanDerWaalsContact CG-CB 3.47Å; D531-A534 PolarHBondContact OD1-N 3.3Å; D531-A534 WeakPolarHBondContact OD2-CB 3.33Å; Y532-A534 VanDerWaalsContact C-N 3.3Å; Y532-A534 PolarHBondContact O-N 2.66Å; A534-R537 VanDerWaalsContact CA-NH2 3.32Å; A534-A538 WeakPolarHBondContact O-CB 3.45Å; A534-A538 PolarHBondContact O-N 3.16Å
535	I	94.1	Very high	93.4	Very high	3 Å²	3	69 Å²	69	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-69.5	-41.9	179.5	-63.4	170.3	0	0	0	110.8	F505 F512 Y532 D533 N539	F505-I535 HydrophobicContact CD1-CG2 4.5Å; F505-I535 HydrophobicContact CE1-CG2 4Å; F505-I535 HydrophobicContact CE2-CG2 4.37Å; F505-I535 HydrophobicContact CZ-CG2 3.95Å; F512-I535 HydrophobicContact CE2-CD1 3.99Å; F512-I535 HydrophobicContact CE2-CG1 4.02Å; F512-I535 HydrophobicContact CZ-CD1 4.27Å; Y532-I535 WeakPolarHBondContact O-CA 3.45Å; Y532-I535 WeakPolarHBondContact O-CB 3.5Å; Y532-I535 PolarHBondContact O-N 3.05Å; D533-I535 VanDerWaalsContact C-N 3.34Å; I535-N539 PolarHBondContact O-N 3.24Å; I535-N539 VanDerWaalsContact O-N 3.1Å
536	D	94.3	Very high	93.5	Very high	41 Å²	41	68.7 Å²	68.7	22%	0.219	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-44.4	174.1	-170.5	76.6	0	0	0	111.9	Y532 A538 N539 R540 P544	Y532-D536 HydrophobicContact CE1-CB 4.08Å; Y532-D536 PolarHBondContact O-N 3.47Å; D536-A538 VanDerWaalsContact C-N 3.3Å; D536-A538 PolarHBondContact O-N 3.03Å; D536-N539 CarbonylContact O-C 3.54Å; D536-N539 PolarHBondContact O-N 2.9Å; D536-R540 WeakPolarHBondContact O-CA 3.27Å; D536-R540 WeakPolarHBondContact O-CG 3.38Å; D536-R540 PolarHBondContact O-N 3.05Å; D536-R540 IonicContact OD2-NE 2.59Å; D536-P544 WeakPolarHBondContact OD1-CG 3.13Å
537	R	93.9	Very high	93.7	Very high	163 Å²	163	68.7 Å²	68.7	62%	0.615	35%	0.351	S	S	*	.	H	α-helix	trans	-56.7	-43.5	175.9	-77.3	-175.4	-56.1	-98.3	2.7	111.9	D531 D533 A534	D531-R537 IonicContact OD2-NH2 2.72Å; D533-R537 VanDerWaalsContact C-CZ 3.48Å; D533-R537 VanDerWaalsContact O-CB 3.27Å; D533-R537 WeakPolarHBondContact O-CB 3.47Å; D533-R537 WeakPolarHBondContact O-CG 3.3Å; D533-R537 PolarHBondContact O-N 3.18Å; D533-R537 PolarHBondContact O-NE 3.45Å; A534-R537 VanDerWaalsContact CA-NH2 3.32Å
538	A	94.3	Very high	93.9	Very high	27 Å²	27	66.1 Å²	66.1	22%	0.223	34%	0.341	C	S	.	.	H	α-helix	trans	-67.5	-41.3	178.6	0	0	0	0	0	112.7	F505 E508 V509 A534 D536	F505-A538 HydrophobicContact CD1-CB 4.01Å; E508-A538 HydrophobicContact CB-CB 3.76Å; E508-A538 HydrophobicContact CG-CB 4.12Å; V509-A538 HydrophobicContact CG2-CB 3.71Å; A534-A538 WeakPolarHBondContact O-CB 3.45Å; A534-A538 PolarHBondContact O-N 3.16Å; D536-A538 VanDerWaalsContact C-N 3.3Å; D536-A538 PolarHBondContact O-N 3.03Å
539	N	93.9	Very high	94.1	Very high	51 Å²	51	65.7 Å²	65.7	27%	0.273	33%	0.328	S	S	.	.			trans	-152.4	101.3	171.2	-163.1	-52	0	0	0	113.1	F505 I535 D536 V541 L542 G543 P544	F505-N539 HydrophobicContact CE1-CB 4.16Å; I535-N539 PolarHBondContact O-N 3.24Å; I535-N539 VanDerWaalsContact O-N 3.1Å; D536-N539 CarbonylContact O-C 3.54Å; D536-N539 PolarHBondContact O-N 2.9Å; N539-V541 PolarHBondContact O-N 3.38Å; N539-V541 PolarHBondContact OD1-N 2.95Å; N539-L542 HydrophobicContact CB-CB 4.31Å; N539-L542 PolarHBondContact O-N 2.84Å; N539-L542 PolarHBondContact OD1-N 3.22Å; N539-G543 VanDerWaalsContact O-CA 3.29Å; N539-G543 WeakPolarHBondContact O-CA 3.34Å; N539-G543 PolarHBondContact O-N 2.86Å; N539-P544 WeakPolarHBondContact O-CD 3.49Å
540	R	94.4	Very high	94.2	Very high	195 Å²	195	62.1 Å²	62.1	74%	0.736	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	0.5	-176	-51.1	-176.9	76.1	-172.5	3.9	115.9	D536	D536-R540 WeakPolarHBondContact O-CA 3.27Å; D536-R540 WeakPolarHBondContact O-CG 3.38Å; D536-R540 PolarHBondContact O-N 3.05Å; D536-R540 IonicContact OD2-NE 2.59Å
541	V	94.8	Very high	94.4	Very high	96 Å²	96	59.8 Å²	59.8	58%	0.582	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-53.9	176.4	-179.2	0	0	0	0	110.4	N539 I545	N539-V541 PolarHBondContact O-N 3.38Å; N539-V541 PolarHBondContact OD1-N 2.95Å; V541-I545 HydrophobicContact CG1-CD1 4.13Å; V541-I545 VanDerWaalsContact O-CD1 3.32Å; V541-I545 WeakPolarHBondContact O-CD1 3.26Å; V541-I545 VanDerWaalsContact O-CG1 3.23Å; V541-I545 WeakPolarHBondContact O-CG1 3.46Å; V541-I545 PolarHBondContact O-N 3.13Å
542	L	94.9	Very high	94.5	Very high	74 Å²	74	61.3 Å²	61.3	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-78.8	-25	-177.7	-59.9	-179.9	0	0	0	113.1	L504 N539 Y546	L504-L542 HydrophobicContact CD1-CB 4.21Å; L504-L542 HydrophobicContact CD2-CB 4.48Å; L504-L542 HydrophobicContact CD2-CD1 3.66Å; N539-L542 HydrophobicContact CB-CB 4.31Å; N539-L542 PolarHBondContact O-N 2.84Å; N539-L542 PolarHBondContact OD1-N 3.22Å; L542-Y546 WeakPolarHBondContact O-CB 3.44Å; L542-Y546 PolarHBondContact O-N 2.9Å
543	G	94.9	Very high	94.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-58.8	173.2	0	0	0	0	0	112.9	N539 I545 Y546 F547	N539-G543 VanDerWaalsContact O-CA 3.29Å; N539-G543 WeakPolarHBondContact O-CA 3.34Å; N539-G543 PolarHBondContact O-N 2.86Å; G543-I545 VanDerWaalsContact C-N 3.31Å; G543-I545 PolarHBondContact O-N 3.31Å; G543-Y546 PolarHBondContact O-N 3.35Å; G543-F547 WeakPolarHBondContact O-CB 3.33Å; G543-F547 PolarHBondContact O-N 2.87Å
544	P	95.6	Very high	94.4	Very high	31 Å²	31	57.8 Å²	57.8	20%	0.201	29%	0.286	C	S	.	.	H	α-helix	trans	-55.6	-42.9	174.1	-25.6	32.4	0	0	0	113.1	Y532 D536 N539 F547 V548	Y532-P544 WeakPolarHBondContact OH-CB 3.46Å; Y532-P544 WeakPolarHBondContact OH-CG 3.42Å; D536-P544 WeakPolarHBondContact OD1-CG 3.13Å; N539-P544 WeakPolarHBondContact O-CD 3.49Å; P544-F547 PolarHBondContact O-N 3.4Å; P544-V548 WeakPolarHBondContact O-CB 3.12Å; P544-V548 VanDerWaalsContact O-CG2 3.31Å; P544-V548 WeakPolarHBondContact O-CG2 3.42Å; P544-V548 PolarHBondContact O-N 3.47Å
545	I	96.4	Very high	94.1	Very high	95 Å²	95	61.6 Å²	61.6	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-47.7	178.9	-67.9	170.3	0	0	0	111	V541 G543 F547 T549	V541-I545 HydrophobicContact CG1-CD1 4.13Å; V541-I545 VanDerWaalsContact O-CD1 3.32Å; V541-I545 WeakPolarHBondContact O-CD1 3.26Å; V541-I545 VanDerWaalsContact O-CG1 3.23Å; V541-I545 WeakPolarHBondContact O-CG1 3.46Å; V541-I545 PolarHBondContact O-N 3.13Å; G543-I545 VanDerWaalsContact C-N 3.31Å; G543-I545 PolarHBondContact O-N 3.31Å; I545-F547 PolarHBondContact O-N 3.01Å; I545-T549 HydrophobicContact CG2-CG2 4.39Å; I545-T549 WeakPolarHBondContact O-CB 3.33Å; I545-T549 VanDerWaalsContact O-CG2 3.32Å; I545-T549 WeakPolarHBondContact O-CG2 3.1Å; I545-T549 PolarHBondContact O-N 3.44Å; I545-T549 PolarHBondContact O-OG1 3.37Å
546	Y	95.9	Very high	93.8	Very high	4 Å²	4	67 Å²	67	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-57.2	-49.5	176.4	171.3	-90.1	0	0	0	111	Y497 L500 F505 F512 Q522 L542 G543 T549 Y550	Y497-Y546 HydrophobicContact CD1-CD2 4.04Å; Y497-Y546 AromaticContact CD1-CE2 3.78Å; Y497-Y546 HydrophobicContact CD1-CE2 3.78Å; Y497-Y546 WeakPolarHBondContact O-CE2 3.13Å; Y497-Y546 PolarHBondContact O-OH 3.41Å; L500-Y546 HydrophobicContact CB-CE2 4.42Å; L500-Y546 HydrophobicContact CD2-CD2 3.94Å; L500-Y546 HydrophobicContact CD2-CE2 4.39Å; L500-Y546 HydrophobicContact CG-CD2 4.1Å; L500-Y546 HydrophobicContact CG-CE2 4.36Å; F505-Y546 AromaticContact CE2-CD1 3.66Å; F505-Y546 HydrophobicContact CE2-CD1 3.66Å; F505-Y546 HydrophobicContact CE2-CD2 4.09Å; F505-Y546 HydrophobicContact CE2-CE1 4.07Å; F505-Y546 HydrophobicContact CE2-CE2 4.44Å; F505-Y546 AromaticContact CE2-CG 3.69Å; F505-Y546 HydrophobicContact CE2-CG 3.69Å; F505-Y546 HydrophobicContact CZ-CD1 4.18Å; F505-Y546 HydrophobicContact CZ-CG 4.03Å; F512-Y546 HydrophobicContact CE1-CE1 4.48Å; F512-Y546 HydrophobicContact CZ-CE1 4.33Å; Q522-Y546 PolarHBondContact NE2-OH 3.03Å; Q522-Y546 VanDerWaalsContact NE2-OH 3.16Å; L542-Y546 WeakPolarHBondContact O-CB 3.44Å; L542-Y546 PolarHBondContact O-N 2.9Å; G543-Y546 PolarHBondContact O-N 3.35Å; Y546-T549 PolarHBondContact O-OG1 2.86Å; Y546-Y550 WeakPolarHBondContact O-CB 3.37Å; Y546-Y550 PolarHBondContact O-N 2.93Å
547	F	95.1	Very high	93.6	Very high	30 Å²	30	68.3 Å²	68.3	13%	0.132	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-50.7	-177.5	-177.5	-95.9	0	0	0	112.1	I525 F530 Y532 G543 P544 I545 T549 Y550 V551	I525-F547 HydrophobicContact CG2-CE2 4.01Å; F530-F547 HydrophobicContact CD1-CE2 4.24Å; F530-F547 HydrophobicContact CD1-CZ 4.42Å; F530-F547 AromaticContact CD2-CE2 3.65Å; F530-F547 HydrophobicContact CD2-CE2 3.65Å; F530-F547 AromaticContact CD2-CZ 3.92Å; F530-F547 HydrophobicContact CD2-CZ 3.92Å; F530-F547 HydrophobicContact CE1-CE2 4.28Å; F530-F547 HydrophobicContact CE1-CZ 4.01Å; F530-F547 HydrophobicContact CE2-CE1 4.41Å; F530-F547 AromaticContact CE2-CE2 3.71Å; F530-F547 HydrophobicContact CE2-CE2 3.71Å; F530-F547 AromaticContact CE2-CZ 3.45Å; F530-F547 HydrophobicContact CE2-CZ 3.45Å; F530-F547 VanDerWaalsContact CE2-CZ 3.45Å; F530-F547 AromaticContact CG-CE2 3.95Å; F530-F547 HydrophobicContact CG-CE2 3.95Å; F530-F547 HydrophobicContact CG-CZ 4.4Å; F530-F547 HydrophobicContact CZ-CE2 4.04Å; F530-F547 AromaticContact CZ-CZ 3.51Å; F530-F547 HydrophobicContact CZ-CZ 3.51Å; Y532-F547 HydrophobicContact CD2-CB 4.27Å; Y532-F547 AromaticContact CD2-CD1 3.84Å; Y532-F547 HydrophobicContact CD2-CD1 3.84Å; Y532-F547 HydrophobicContact CD2-CD2 4.13Å; Y532-F547 HydrophobicContact CD2-CE1 4.22Å; Y532-F547 HydrophobicContact CD2-CE2 4.48Å; Y532-F547 AromaticContact CD2-CG 3.8Å; Y532-F547 HydrophobicContact CD2-CG 3.8Å; Y532-F547 HydrophobicContact CE2-CB 4.01Å; Y532-F547 AromaticContact CE2-CD1 3.81Å; Y532-F547 HydrophobicContact CE2-CD1 3.81Å; Y532-F547 AromaticContact CE2-CG 3.9Å; Y532-F547 HydrophobicContact CE2-CG 3.9Å; G543-F547 WeakPolarHBondContact O-CB 3.33Å; G543-F547 PolarHBondContact O-N 2.87Å; P544-F547 PolarHBondContact O-N 3.4Å; I545-F547 PolarHBondContact O-N 3.01Å; F547-T549 PolarHBondContact O-N 3.37Å; F547-Y550 PolarHBondContact O-N 3.29Å; F547-V551 HydrophobicContact CD1-CG2 4.47Å; F547-V551 HydrophobicContact CE1-CG2 4.08Å; F547-V551 HydrophobicContact CE2-CG2 4.18Å; F547-V551 HydrophobicContact CZ-CG2 3.92Å; F547-V551 WeakPolarHBondContact O-CG2 3.14Å; F547-V551 PolarHBondContact O-N 2.9Å
548	V	95.1	Very high	93.4	Very high	92 Å²	92	61.5 Å²	61.5	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-64.5	-41.1	-179	172.7	0	0	0	0	111.6	P544 F552	P544-V548 WeakPolarHBondContact O-CB 3.12Å; P544-V548 VanDerWaalsContact O-CG2 3.31Å; P544-V548 WeakPolarHBondContact O-CG2 3.42Å; P544-V548 PolarHBondContact O-N 3.47Å; V548-F552 VanDerWaalsContact O-CB 3.3Å; V548-F552 WeakPolarHBondContact O-CB 3.37Å; V548-F552 PolarHBondContact O-N 2.96Å
549	T	95.7	Very high	93	Very high	46 Å²	46	62.7 Å²	62.7	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-70.3	-40.6	177.7	54.4	0	0	0	0	112.3	I545 Y546 F547 F552 F553	I545-T549 HydrophobicContact CG2-CG2 4.39Å; I545-T549 WeakPolarHBondContact O-CB 3.33Å; I545-T549 VanDerWaalsContact O-CG2 3.32Å; I545-T549 WeakPolarHBondContact O-CG2 3.1Å; I545-T549 PolarHBondContact O-N 3.44Å; I545-T549 PolarHBondContact O-OG1 3.37Å; Y546-T549 PolarHBondContact O-OG1 2.86Å; F547-T549 PolarHBondContact O-N 3.37Å; T549-F552 PolarHBondContact O-N 3.25Å; T549-F553 VanDerWaalsContact O-CD2 3.31Å; T549-F553 WeakPolarHBondContact O-CD2 3.29Å; T549-F553 PolarHBondContact O-N 2.52Å
550	Y	94.9	Very high	92.8	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-51.3	174.4	-179.2	-93.4	0	0	0	111.4	F494 Y497 Q522 I525 I526 Y546 F547 F552 F553 V554	F494-Y550 WeakPolarHBondContact CE2-OH 3.18Å; Y497-Y550 AromaticContact CD1-CD2 3.97Å; Y497-Y550 HydrophobicContact CD1-CD2 3.97Å; Y497-Y550 HydrophobicContact CD2-CD2 4.12Å; Y497-Y550 AromaticContact CG-CD2 3.72Å; Y497-Y550 HydrophobicContact CG-CD2 3.72Å; Y497-Y550 HydrophobicContact CG-CE2 4.44Å; Q522-Y550 HydrophobicContact CB-CE2 4.37Å; Q522-Y550 WeakPolarHBondContact CB-OH 3.34Å; Q522-Y550 HydrophobicContact CG-CE2 3.87Å; Q522-Y550 PolarHBondContact O-OH 3.41Å; I525-Y550 HydrophobicContact CB-CE1 4.13Å; I525-Y550 HydrophobicContact CG2-CD1 3.76Å; I525-Y550 HydrophobicContact CG2-CE1 3.7Å; I526-Y550 WeakPolarHBondContact CD1-OH 3.42Å; I526-Y550 HydrophobicContact CG1-CE1 4.18Å; Y546-Y550 WeakPolarHBondContact O-CB 3.37Å; Y546-Y550 PolarHBondContact O-N 2.93Å; F547-Y550 PolarHBondContact O-N 3.29Å; Y550-F552 PolarHBondContact O-N 3.33Å; Y550-F553 PolarHBondContact O-N 3.14Å; Y550-V554 HydrophobicContact CD2-CG2 3.81Å; Y550-V554 HydrophobicContact CE1-CB 4.33Å; Y550-V554 HydrophobicContact CE2-CB 4.27Å; Y550-V554 HydrophobicContact CE2-CG1 4.49Å; Y550-V554 HydrophobicContact CE2-CG2 3.65Å; Y550-V554 HydrophobicContact CG-CG2 4.34Å; Y550-V554 VanDerWaalsContact O-CB 3.28Å; Y550-V554 WeakPolarHBondContact O-CB 3.41Å; Y550-V554 WeakPolarHBondContact O-CG2 3.22Å; Y550-V554 PolarHBondContact O-N 3.38Å
551	V	93.8	Very high	92.6	Very high	37 Å²	37	59.1 Å²	59.1	22%	0.224	31%	0.305	C	S	.	.	I	π-helix	trans	-62.2	-42.8	178.2	173.7	0	0	0	0	110.8	I525 F547 F555 F556	I525-V551 HydrophobicContact CG2-CG2 4.27Å; F547-V551 HydrophobicContact CD1-CG2 4.47Å; F547-V551 HydrophobicContact CE1-CG2 4.08Å; F547-V551 HydrophobicContact CE2-CG2 4.18Å; F547-V551 HydrophobicContact CZ-CG2 3.92Å; F547-V551 WeakPolarHBondContact O-CG2 3.14Å; F547-V551 PolarHBondContact O-N 2.9Å; V551-F555 HydrophobicContact CG1-CB 4.28Å; V551-F555 WeakPolarHBondContact O-CA 3.29Å; V551-F555 WeakPolarHBondContact O-CB 3.31Å; V551-F555 PolarHBondContact O-N 3.11Å; V551-F556 HydrophobicContact CG1-CD2 4.24Å; V551-F556 HydrophobicContact CG1-CE2 3.96Å; V551-F556 PolarHBondContact O-N 3.04Å
552	F	93.5	Very high	92.3	Very high	116 Å²	116	58.4 Å²	58.4	51%	0.509	29%	0.294	S	S	.	.	I	π-helix	trans	-60.3	-52.9	177.8	-175.6	-98.9	0	0	0	112.8	V548 T549 Y550 F556 V557	V548-F552 VanDerWaalsContact O-CB 3.3Å; V548-F552 WeakPolarHBondContact O-CB 3.37Å; V548-F552 PolarHBondContact O-N 2.96Å; T549-F552 PolarHBondContact O-N 3.25Å; Y550-F552 PolarHBondContact O-N 3.33Å; F552-F556 WeakPolarHBondContact O-CB 3.39Å; F552-F556 PolarHBondContact O-N 2.9Å; F552-V557 HydrophobicContact CE1-CG2 4.38Å; F552-V557 PolarHBondContact O-N 3.46Å
553	F	92.3	Very high	92.1	Very high	98 Å²	98	59.8 Å²	59.8	43%	0.43	30%	0.302	S	S	.	.	I	π-helix	trans	-74.8	-45	-177	-75.8	-71.8	0	0	0	112.8	Y497 T549 Y550 V557 L558	Y497-F553 WeakPolarHBondContact OH-CD2 3.36Å; T549-F553 VanDerWaalsContact O-CD2 3.31Å; T549-F553 WeakPolarHBondContact O-CD2 3.29Å; T549-F553 PolarHBondContact O-N 2.52Å; Y550-F553 PolarHBondContact O-N 3.14Å; F553-V557 WeakPolarHBondContact O-CB 3.3Å; F553-V557 PolarHBondContact O-N 2.79Å; F553-L558 WeakPolarHBondContact O-CG 3.49Å; F553-L558 PolarHBondContact O-N 2.93Å
554	V	91.2	Very high	92	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	32%	0.324	C	S	.	.	I	π-helix	trans	-81.9	-44.5	-171.9	-173.6	0	0	0	0	111.9	F490 V493 I526 Y550 L558 L559	F490-V554 HydrophobicContact CE2-CG1 3.86Å; F490-V554 HydrophobicContact CZ-CG1 4.48Å; V493-V554 HydrophobicContact CG1-CG2 4.46Å; I526-V554 HydrophobicContact CD1-CG1 3.79Å; I526-V554 HydrophobicContact CG1-CG1 4.18Å; Y550-V554 HydrophobicContact CD2-CG2 3.81Å; Y550-V554 HydrophobicContact CE1-CB 4.33Å; Y550-V554 HydrophobicContact CE2-CB 4.27Å; Y550-V554 HydrophobicContact CE2-CG1 4.49Å; Y550-V554 HydrophobicContact CE2-CG2 3.65Å; Y550-V554 HydrophobicContact CG-CG2 4.34Å; Y550-V554 VanDerWaalsContact O-CB 3.28Å; Y550-V554 WeakPolarHBondContact O-CB 3.41Å; Y550-V554 WeakPolarHBondContact O-CG2 3.22Å; Y550-V554 PolarHBondContact O-N 3.38Å; V554-L558 HydrophobicContact CG2-CD1 4.45Å; V554-L559 PolarHBondContact O-N 2.82Å
555	F	86.9	Confident	91.9	Very high	91 Å²	91	62.7 Å²	62.7	40%	0.399	32%	0.323	S	S	.	.	I	π-helix	trans	-80.5	-57.3	179.4	-168.5	-91.1	0	0	0	111.6	V551 L559	V551-F555 HydrophobicContact CG1-CB 4.28Å; V551-F555 WeakPolarHBondContact O-CA 3.29Å; V551-F555 WeakPolarHBondContact O-CB 3.31Å; V551-F555 PolarHBondContact O-N 3.11Å; F555-L559 HydrophobicContact CD2-CD1 3.62Å; F555-L559 HydrophobicContact CE2-CD1 4.03Å; F555-L559 HydrophobicContact CG-CD1 4.22Å; F555-L559 WeakPolarHBondContact O-CB 3.48Å
556	F	88.9	Confident	91.8	Very high	118 Å²	118	61 Å²	61	52%	0.518	32%	0.315	S	S	.	.	I	π-helix	trans	-78.3	-28.1	-171.7	-70.6	-80.6	0	0	0	115.1	V551 F552 N560	V551-F556 HydrophobicContact CG1-CD2 4.24Å; V551-F556 HydrophobicContact CG1-CE2 3.96Å; V551-F556 PolarHBondContact O-N 3.04Å; F552-F556 WeakPolarHBondContact O-CB 3.39Å; F552-F556 PolarHBondContact O-N 2.9Å; F556-N560 PolarHBondContact O-ND2 3.26Å
557	V	90.1	Very high	91.6	Very high	68 Å²	68	65.7 Å²	65.7	41%	0.412	34%	0.34	S	S	.	.	I	π-helix	trans	-96.7	-58.3	176.5	-174.7	0	0	0	0	111.6	F552 F553 M561	F552-V557 HydrophobicContact CE1-CG2 4.38Å; F552-V557 PolarHBondContact O-N 3.46Å; F553-V557 WeakPolarHBondContact O-CB 3.3Å; F553-V557 PolarHBondContact O-N 2.79Å; V557-M561 PolarHBondContact O-N 2.81Å
558	L	88.2	Confident	91.5	Very high	20 Å²	20	70 Å²	70	11%	0.105	36%	0.364	C	S	.	.	I	π-helix	trans	-72.2	-42.2	-168.4	-65.1	174.5	0	0	0	114	F486 F490 V493 F553 V554 M561 F562	F486-L558 HydrophobicContact CE2-CD2 3.61Å; F486-L558 HydrophobicContact CZ-CB 3.94Å; F486-L558 HydrophobicContact CZ-CD2 3.62Å; F486-L558 HydrophobicContact CZ-CG 4.37Å; F486-L558 VanDerWaalsContact CZ-O 3.28Å; F486-L558 WeakPolarHBondContact CZ-O 3.37Å; F490-L558 HydrophobicContact CD2-CB 4.11Å; F490-L558 HydrophobicContact CD2-CD1 3.95Å; V493-L558 HydrophobicContact CB-CD1 4.16Å; V493-L558 HydrophobicContact CG1-CD1 4.12Å; F553-L558 WeakPolarHBondContact O-CG 3.49Å; F553-L558 PolarHBondContact O-N 2.93Å; V554-L558 HydrophobicContact CG2-CD1 4.45Å; L558-M561 PolarHBondContact O-N 3.37Å; L558-F562 PolarHBondContact O-N 2.93Å; L558-F562 VanDerWaalsContact O-N 3.08Å
559	L	86.6	Confident	91.4	Very high	52 Å²	52	66.3 Å²	66.3	27%	0.272	34%	0.342	S	S	.	.	I	π-helix	trans	-66.4	-39.2	176.1	-63.7	178.6	0	0	0	112.5	I526 V554 F555 M561 F562 L563	I526-L559 HydrophobicContact CG2-CD1 4.05Å; V554-L559 PolarHBondContact O-N 2.82Å; F555-L559 HydrophobicContact CD2-CD1 3.62Å; F555-L559 HydrophobicContact CE2-CD1 4.03Å; F555-L559 HydrophobicContact CG-CD1 4.22Å; F555-L559 WeakPolarHBondContact O-CB 3.48Å; L559-M561 VanDerWaalsContact C-N 3.31Å; L559-M561 PolarHBondContact O-N 2.88Å; L559-F562 WeakPolarHBondContact O-CB 3.41Å; L559-F562 PolarHBondContact O-N 3.26Å; L559-L563 WeakPolarHBondContact O-CG 3.32Å; L559-L563 PolarHBondContact O-N 3.36Å
560	N	88.9	Confident	91.1	Very high	88 Å²	88	68 Å²	68	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-33.8	177.1	-74.8	-37.9	0	0	0	112.1	F556 L563 A564	F556-N560 PolarHBondContact O-ND2 3.26Å; N560-L563 PolarHBondContact O-N 3.26Å; N560-A564 WeakPolarHBondContact O-CB 3.43Å; N560-A564 PolarHBondContact O-N 3.01Å
561	M	90.8	Very high	90.9	Very high	83 Å²	83	70 Å²	70	41%	0.409	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-39.8	171.5	-176.9	174.1	164.8	0	0	112.3	F486 V557 L558 L559 A564 I565	F486-M561 HydrophobicContact CD2-CE 3.42Å; F486-M561 VanDerWaalsContact CD2-CE 3.42Å; F486-M561 HydrophobicContact CD2-CG 4.25Å; F486-M561 HydrophobicContact CD2-SD 3.67Å; F486-M561 HydrophobicContact CE2-CB 4.21Å; F486-M561 HydrophobicContact CE2-CE 3.85Å; F486-M561 HydrophobicContact CE2-CG 3.93Å; F486-M561 HydrophobicContact CE2-SD 3.38Å; F486-M561 WeakPolarHBondContact CE2-SD 3.39Å; F486-M561 HydrophobicContact CG-CE 4.2Å; F486-M561 HydrophobicContact CZ-CB 4.11Å; F486-M561 HydrophobicContact CZ-CG 4.24Å; F486-M561 HydrophobicContact CZ-SD 4.23Å; V557-M561 PolarHBondContact O-N 2.81Å; L558-M561 PolarHBondContact O-N 3.37Å; L559-M561 VanDerWaalsContact C-N 3.31Å; L559-M561 PolarHBondContact O-N 2.88Å; M561-A564 PolarHBondContact O-N 3.49Å; M561-I565 HydrophobicContact CE-CD1 4.17Å; M561-I565 HydrophobicContact CG-CD1 4.33Å; M561-I565 WeakPolarHBondContact O-CG1 3.32Å; M561-I565 PolarHBondContact O-N 3.12Å; M561-I565 VanDerWaalsContact O-N 3.09Å
562	F	89.4	Confident	90.7	Very high	80 Å²	80	73.3 Å²	73.3	35%	0.351	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-45.2	173.9	179.9	-103.4	0	0	0	112.2	I483 F486 L558 L559 A564 I565 I566	I483-F562 HydrophobicContact CD1-CE2 3.98Å; I483-F562 HydrophobicContact CD1-CZ 4.45Å; I483-F562 HydrophobicContact CG1-CD2 4.39Å; I483-F562 HydrophobicContact CG1-CE2 4.07Å; I483-F562 HydrophobicContact CG2-CD2 4.48Å; I483-F562 HydrophobicContact CG2-CE2 3.82Å; F486-F562 HydrophobicContact CD1-CB 4.4Å; F486-F562 HydrophobicContact CD1-CD2 4.39Å; F486-F562 HydrophobicContact CE1-CB 3.93Å; L558-F562 PolarHBondContact O-N 2.93Å; L558-F562 VanDerWaalsContact O-N 3.08Å; L559-F562 WeakPolarHBondContact O-CB 3.41Å; L559-F562 PolarHBondContact O-N 3.26Å; F562-A564 VanDerWaalsContact C-N 3.35Å; F562-A564 PolarHBondContact O-N 3.16Å; F562-I565 PolarHBondContact O-N 3.29Å; F562-I566 HydrophobicContact CD1-CD1 3.88Å; F562-I566 HydrophobicContact CE1-CD1 3.42Å; F562-I566 VanDerWaalsContact CE1-CD1 3.42Å; F562-I566 HydrophobicContact CE2-CD1 4.18Å; F562-I566 HydrophobicContact CG-CD1 4.44Å; F562-I566 HydrophobicContact CZ-CD1 3.6Å; F562-I566 PolarHBondContact O-N 3.48Å
563	L	90.3	Very high	90.5	Very high	104 Å²	104	67.9 Å²	67.9	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-38.9	175.2	-68.7	173.7	0	0	0	112.3	L559 N560 I566 N567	L559-L563 WeakPolarHBondContact O-CG 3.32Å; L559-L563 PolarHBondContact O-N 3.36Å; N560-L563 PolarHBondContact O-N 3.26Å; L563-I566 PolarHBondContact O-N 3.39Å; L563-N567 WeakPolarHBondContact O-CB 3.28Å; L563-N567 PolarHBondContact O-N 2.93Å
564	A	93.1	Very high	90.2	Very high	58 Å²	58	68.9 Å²	68.9	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-46.2	177.2	0	0	0	0	0	112.3	N560 M561 F562 I566 N567 D568	N560-A564 WeakPolarHBondContact O-CB 3.43Å; N560-A564 PolarHBondContact O-N 3.01Å; M561-A564 PolarHBondContact O-N 3.49Å; F562-A564 VanDerWaalsContact C-N 3.35Å; F562-A564 PolarHBondContact O-N 3.16Å; A564-I566 VanDerWaalsContact C-N 3.34Å; A564-I566 PolarHBondContact O-N 3.07Å; A564-N567 PolarHBondContact O-N 2.98Å; A564-D568 WeakPolarHBondContact O-CB 3.37Å; A564-D568 PolarHBondContact O-N 3.12Å
565	I	93.7	Very high	90	Very high	33 Å²	33	75.6 Å²	75.6	17%	0.169	38%	0.383	C	S	.	.	H	α-helix	trans	-58.2	-46.2	176.6	-67.2	163.2	0	0	0	110.8	C479 D482 I483 F486 M561 F562 T569	C479-I565 HydrophobicContact CB-CG2 4.4Å; D482-I565 HydrophobicContact CB-CG2 4.4Å; I483-I565 HydrophobicContact CG1-CG2 4.05Å; F486-I565 HydrophobicContact CB-CD1 3.91Å; F486-I565 HydrophobicContact CD1-CD1 4.37Å; F486-I565 HydrophobicContact CG-CD1 4.07Å; M561-I565 HydrophobicContact CE-CD1 4.17Å; M561-I565 HydrophobicContact CG-CD1 4.33Å; M561-I565 WeakPolarHBondContact O-CG1 3.32Å; M561-I565 PolarHBondContact O-N 3.12Å; M561-I565 VanDerWaalsContact O-N 3.09Å; F562-I565 PolarHBondContact O-N 3.29Å; I565-T569 PolarHBondContact O-N 2.85Å; I565-T569 PolarHBondContact O-OG1 3.04Å
566	I	92.7	Very high	89.9	Confident	61 Å²	61	74.8 Å²	74.8	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-43.5	179.2	-69.7	170.7	0	0	0	111.2	I483 F562 L563 A564 Y570	I483-I566 HydrophobicContact CD1-CD1 4.13Å; I483-I566 HydrophobicContact CD1-CG1 3.81Å; F562-I566 HydrophobicContact CD1-CD1 3.88Å; F562-I566 HydrophobicContact CE1-CD1 3.42Å; F562-I566 VanDerWaalsContact CE1-CD1 3.42Å; F562-I566 HydrophobicContact CE2-CD1 4.18Å; F562-I566 HydrophobicContact CG-CD1 4.44Å; F562-I566 HydrophobicContact CZ-CD1 3.6Å; F562-I566 PolarHBondContact O-N 3.48Å; L563-I566 PolarHBondContact O-N 3.39Å; A564-I566 VanDerWaalsContact C-N 3.34Å; A564-I566 PolarHBondContact O-N 3.07Å; I566-Y570 WeakPolarHBondContact O-CB 3.36Å; I566-Y570 PolarHBondContact O-N 2.9Å
567	N	92.4	Very high	89.3	Confident	101 Å²	101	70.3 Å²	70.3	54%	0.54	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-35.5	-177.8	-174.6	73.1	0	0	0	112.9	L563 A564 S571	L563-N567 WeakPolarHBondContact O-CB 3.28Å; L563-N567 PolarHBondContact O-N 2.93Å; A564-N567 PolarHBondContact O-N 2.98Å; N567-S571 WeakPolarHBondContact O-CB 3.48Å; N567-S571 PolarHBondContact O-N 3.3Å; N567-S571 PolarHBondContact O-OG 3.17Å
568	D	93.5	Very high	88.6	Confident	120 Å²	120	71.4 Å²	71.4	64%	0.642	37%	0.372	S	S	*	.	H	α-helix	trans	-65.7	-54.8	177	-165.8	47	0	0	0	110.9	A564 Y570 S571 E572	A564-D568 WeakPolarHBondContact O-CB 3.37Å; A564-D568 PolarHBondContact O-N 3.12Å; D568-Y570 VanDerWaalsContact C-N 3.28Å; D568-Y570 PolarHBondContact O-N 2.96Å; D568-S571 WeakPolarHBondContact O-CB 3.26Å; D568-S571 PolarHBondContact O-N 2.77Å; D568-E572 PolarHBondContact O-N 3.34Å
569	T	92.1	Very high	87.7	Confident	16 Å²	16	74.6 Å²	74.6	10%	0.098	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-32.2	175.1	-47.1	0	0	0	0	112.7	R478 C479 I565 S571 V573	R478-T569 HydrophobicContact CB-CG2 3.62Å; C479-T569 HydrophobicContact CB-CG2 3.98Å; C479-T569 WeakPolarHBondContact CB-OG1 3.45Å; I565-T569 PolarHBondContact O-N 2.85Å; I565-T569 PolarHBondContact O-OG1 3.04Å; T569-S571 VanDerWaalsContact C-N 3.31Å; T569-S571 PolarHBondContact O-N 2.93Å; T569-V573 HydrophobicContact CG2-CG2 4.39Å; T569-V573 WeakPolarHBondContact O-CG2 3.45Å; T569-V573 PolarHBondContact O-N 3.42Å; T569-V573 VanDerWaalsContact O-N 3.08Å
570	Y	90.4	Very high	86.8	Confident	81 Å²	81	76.4 Å²	76.4	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-40.6	173.2	178.2	-93.2	0	0	0	112.1	Q471 L472 T475 I566 D568 K574	Q471-Y570 PolarHBondContact NE2-OH 3.27Å; L472-Y570 HydrophobicContact CD2-CE2 4.21Å; T475-Y570 HydrophobicContact CG2-CD2 4.03Å; I566-Y570 WeakPolarHBondContact O-CB 3.36Å; I566-Y570 PolarHBondContact O-N 2.9Å; D568-Y570 VanDerWaalsContact C-N 3.28Å; D568-Y570 PolarHBondContact O-N 2.96Å; Y570-K574 HydrophobicContact CE1-CD 4.17Å; Y570-K574 VanDerWaalsContact O-CB 3.25Å; Y570-K574 WeakPolarHBondContact O-CB 3.35Å; Y570-K574 PolarHBondContact O-N 2.91Å
571	S	89.9	Confident	85.2	Confident	44 Å²	44	81.2 Å²	81.2	31%	0.308	42%	0.42	S	S	.	.	H	α-helix	trans	-68.7	-46.1	177.7	-56.3	0	0	0	0	111.3	N567 D568 T569 V573 K574 E575	N567-S571 WeakPolarHBondContact O-CB 3.48Å; N567-S571 PolarHBondContact O-N 3.3Å; N567-S571 PolarHBondContact O-OG 3.17Å; D568-S571 WeakPolarHBondContact O-CB 3.26Å; D568-S571 PolarHBondContact O-N 2.77Å; T569-S571 VanDerWaalsContact C-N 3.31Å; T569-S571 PolarHBondContact O-N 2.93Å; S571-V573 PolarHBondContact O-N 2.69Å; S571-K574 WeakPolarHBondContact O-CB 3.17Å; S571-K574 PolarHBondContact O-N 2.71Å; S571-K574 VanDerWaalsContact O-N 3.17Å; S571-E575 PolarHBondContact O-N 3.14Å
572	E	89.8	Confident	83.5	Confident	107 Å²	107	82.7 Å²	82.7	50%	0.5	43%	0.429	S	S	.	.	H	α-helix	trans	-53.7	-53.6	175.3	-173.5	-154.6	-137.3	0	0	111.9	R478 D568 K574 E575 E576	R478-E572 IonicContact NH1-OE2 3.59Å; R478-E572 PolarHBondContact NH1-OE2 3.41Å; D568-E572 PolarHBondContact O-N 3.34Å; E572-K574 VanDerWaalsContact C-N 3.31Å; E572-K574 PolarHBondContact O-N 3.41Å; E572-E575 PolarHBondContact O-N 3.05Å; E572-E576 PolarHBondContact O-N 3.46Å
573	V	88.6	Confident	81.6	Confident	1 Å²	1	85 Å²	85	1%	0.006	44%	0.441	C	S	.	.	H	α-helix	trans	-67	-33.9	-179.5	179.8	0	0	0	0	111.2	Q471 T474 T475 T569 S571 E576 L577	Q471-V573 HydrophobicContact CG-CG1 4Å; T474-V573 HydrophobicContact CG2-CG1 4Å; T474-V573 HydrophobicContact CG2-CG2 4.27Å; T475-V573 HydrophobicContact CG2-CB 3.46Å; T475-V573 VanDerWaalsContact CG2-CB 3.46Å; T475-V573 HydrophobicContact CG2-CG1 3.86Å; T475-V573 HydrophobicContact CG2-CG2 3.63Å; T569-V573 HydrophobicContact CG2-CG2 4.39Å; T569-V573 WeakPolarHBondContact O-CG2 3.45Å; T569-V573 PolarHBondContact O-N 3.42Å; T569-V573 VanDerWaalsContact O-N 3.08Å; S571-V573 PolarHBondContact O-N 2.69Å; V573-E576 PolarHBondContact O-N 2.87Å; V573-L577 WeakPolarHBondContact O-CB 3.46Å; V573-L577 PolarHBondContact O-N 2.87Å
574	K	86.6	Confident	79.9	Confident	120 Å²	120	83.2 Å²	83.2	52%	0.522	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-44.4	175.2	-172.9	-178.2	175.3	-171.8	0	111.2	Y570 S571 E572 S578	Y570-K574 HydrophobicContact CE1-CD 4.17Å; Y570-K574 VanDerWaalsContact O-CB 3.25Å; Y570-K574 WeakPolarHBondContact O-CB 3.35Å; Y570-K574 PolarHBondContact O-N 2.91Å; S571-K574 WeakPolarHBondContact O-CB 3.17Å; S571-K574 PolarHBondContact O-N 2.71Å; S571-K574 VanDerWaalsContact O-N 3.17Å; E572-K574 VanDerWaalsContact C-N 3.31Å; E572-K574 PolarHBondContact O-N 3.41Å; K574-S578 WeakPolarHBondContact O-CB 3.44Å; K574-S578 PolarHBondContact O-N 3.44Å
575	E	86.8	Confident	78.1	Confident	142 Å²	142	85.1 Å²	85.1	66%	0.664	43%	0.431	S	S	*	.	H	α-helix	trans	-64.6	-47.9	176.4	-71.4	-174.7	-174.6	0	0	111.2	S571 E572 L577 S578 S579	S571-E575 PolarHBondContact O-N 3.14Å; E572-E575 PolarHBondContact O-N 3.05Å; E575-L577 PolarHBondContact O-N 3.14Å; E575-S578 PolarHBondContact O-N 3.01Å; E575-S578 VanDerWaalsContact O-N 3.09Å; E575-S578 PolarHBondContact O-OG 3.48Å; E575-S579 PolarHBondContact O-N 2.72Å
576	E	84.4	Confident	76.2	Confident	74 Å²	74	85.3 Å²	85.3	35%	0.346	43%	0.432	S	S	.	.	H	α-helix	trans	-58.9	-46.7	177.7	-169.3	-176.3	148.6	0	0	112.1	R478 E572 V573 S578 S579 Q580	R478-E576 IonicContact CZ-OE2 3.52Å; R478-E576 IonicContact NH1-OE2 2.75Å; R478-E576 PolarHBondContact NH1-OE2 3.18Å; R478-E576 VanDerWaalsContact NH2-CD 3.29Å; R478-E576 IonicContact NH2-OE1 3.49Å; R478-E576 PolarHBondContact NH2-OE1 3.35Å; R478-E576 IonicContact NH2-OE2 2.73Å; R478-E576 PolarHBondContact NH2-OE2 2.7Å; E572-E576 PolarHBondContact O-N 3.46Å; V573-E576 PolarHBondContact O-N 2.87Å; E576-S578 PolarHBondContact O-N 3.49Å; E576-S579 PolarHBondContact O-N 3.08Å; E576-S579 VanDerWaalsContact O-N 3.08Å; E576-S579 PolarHBondContact O-OG 3.05Å; E576-Q580 PolarHBondContact O-N 3.06Å
577	L	76.5	Confident	74.5	Confident	24 Å²	24	87.4 Å²	87.4	13%	0.126	45%	0.448	C	S	.	.	H	α-helix	trans	-70	-18.3	178.4	-127.1	71.4	0	0	0	113.5	K467 Q471 V573 E575	K467-L577 WeakPolarHBondContact CE-O 3.22Å; K467-L577 HydrophobicContact CG-CD2 3.73Å; K467-L577 HydrophobicContact CG-CG 4.33Å; K467-L577 PolarHBondContact NZ-O 3.48Å; K467-L577 WeakPolarHBondContact O-CD2 3.34Å; Q471-L577 HydrophobicContact CB-CD2 3.71Å; Q471-L577 HydrophobicContact CG-CD2 4.07Å; V573-L577 WeakPolarHBondContact O-CB 3.46Å; V573-L577 PolarHBondContact O-N 2.87Å; E575-L577 PolarHBondContact O-N 3.14Å
578	S	74.6	Confident	73	Confident	90 Å²	90	86.7 Å²	86.7	63%	0.629	44%	0.444	S	S	*	.	H	α-helix	trans	-81.3	-32.3	168.9	79.5	0	0	0	0	112.3	K574 E575 E576	K574-S578 WeakPolarHBondContact O-CB 3.44Å; K574-S578 PolarHBondContact O-N 3.44Å; E575-S578 PolarHBondContact O-N 3.01Å; E575-S578 VanDerWaalsContact O-N 3.09Å; E575-S578 PolarHBondContact O-OG 3.48Å; E576-S578 PolarHBondContact O-N 3.49Å
579	S	71.1	Confident	71.5	Confident	88 Å²	88	83.5 Å²	83.5	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-73.6	-31.1	176.5	80.6	0	0	0	0	112.6	E575 E576 K581	E575-S579 PolarHBondContact O-N 2.72Å; E576-S579 PolarHBondContact O-N 3.08Å; E576-S579 VanDerWaalsContact O-N 3.08Å; E576-S579 PolarHBondContact O-OG 3.05Å; S579-K581 PolarHBondContact O-N 3.39Å
580	Q	66.4	Low	70.2	Confident	89 Å²	89	88 Å²	88	42%	0.416	45%	0.449	S	S	.	.	S	Bend	trans	-69.2	109.8	167.1	-72.2	-173	-8.2	0	0	110	E576	E576-Q580 PolarHBondContact O-N 3.06Å
581	K	54.8	Low	68.9	Low	190 Å²	190	88.2 Å²	88.2	83%	0.826	45%	0.452	S	S	*	.			trans	-46.2	142.3	163.4	-65.3	-178	179.4	179.9	0	109.4	S579 E583	S579-K581 PolarHBondContact O-N 3.39Å; K581-E583 VanDerWaalsContact C-N 3.31Å; K581-E583 PolarHBondContact O-N 3.37Å
582	D	56.6	Low	67.9	Low	113 Å²	113	92 Å²	92	60%	0.604	47%	0.465	S	S	*	.			trans	-60.9	85.4	-170.2	-67.1	-61.3	0	0	0	114.3	K467 L584	K467-D582 IonicContact NZ-OD1 2.79Å; K467-D582 PolarHBondContact NZ-OD1 2.94Å; D582-L584 PolarHBondContact O-N 2.99Å
583	E	49.6	Very low	66.7	Low	129 Å²	129	90.3 Å²	90.3	60%	0.603	46%	0.464	S	S	*	.			trans	-68	-23.5	176.3	-71.1	-150	149.2	0	0	111.7	R99 K581 Q585	R99-E583 PolarHBondContact NH1-O 3.35Å; R99-E583 PolarHBondContact NH2-O 2.84Å; K581-E583 VanDerWaalsContact C-N 3.31Å; K581-E583 PolarHBondContact O-N 3.37Å; E583-Q585 PolarHBondContact O-N 2.8Å
584	L	53.6	Low	65.9	Low	66 Å²	66	92.7 Å²	92.7	35%	0.346	47%	0.473	S	S	.	.			trans	-78	59.8	179.6	-74.4	168.7	0	0	0	112.2	K467 D582 I586	K467-L584 HydrophobicContact CB-CD1 3.71Å; K467-L584 HydrophobicContact CG-CD1 4.2Å; D582-L584 PolarHBondContact O-N 2.99Å; L584-I586 HydrophobicContact CD2-CD1 3.83Å; L584-I586 HydrophobicContact CD2-CG1 4.32Å; L584-I586 PolarHBondContact O-N 3.26Å
585	Q	55.8	Low	65.1	Low	99 Å²	99	90.4 Å²	90.4	46%	0.463	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	17.3	170.2	-61.7	171.2	-40.2	0	0	113.6	R99 E583 T587 D588 L589	R99-Q585 VanDerWaalsContact NH1-OE1 3.09Å; E583-Q585 PolarHBondContact O-N 2.8Å; Q585-T587 VanDerWaalsContact C-N 3.33Å; Q585-T587 PolarHBondContact O-N 3Å; Q585-D588 CarbonylContact O-C 3.49Å; Q585-D588 PolarHBondContact O-N 2.9Å; Q585-D588 VanDerWaalsContact O-N 3.16Å; Q585-L589 HydrophobicContact CB-CD1 4.47Å; Q585-L589 HydrophobicContact CB-CG 4.46Å; Q585-L589 WeakPolarHBondContact O-CB 3.38Å; Q585-L589 VanDerWaalsContact O-CG 3.28Å; Q585-L589 WeakPolarHBondContact O-CG 3.35Å; Q585-L589 PolarHBondContact O-N 2.69Å
586	I	54.7	Low	64.6	Low	36 Å²	36	90.1 Å²	90.1	19%	0.185	46%	0.462	C	S	.	.	H	α-helix	trans	-63.7	-42.1	-177.4	-60.5	178.8	0	0	0	109.9	I103 F465 L584 D588 L589 I590	I103-I586 HydrophobicContact CD1-CG1 4.23Å; F465-I586 HydrophobicContact CB-CD1 3.96Å; L584-I586 HydrophobicContact CD2-CD1 3.83Å; L584-I586 HydrophobicContact CD2-CG1 4.32Å; L584-I586 PolarHBondContact O-N 3.26Å; I586-D588 VanDerWaalsContact C-N 3.33Å; I586-D588 PolarHBondContact O-N 2.81Å; I586-L589 PolarHBondContact O-N 2.84Å; I586-I590 HydrophobicContact CG2-CD1 3.74Å; I586-I590 HydrophobicContact CG2-CG1 4.29Å; I586-I590 WeakPolarHBondContact O-CB 3.43Å; I586-I590 VanDerWaalsContact O-CG1 3.29Å; I586-I590 WeakPolarHBondContact O-CG1 3.23Å; I586-I590 PolarHBondContact O-N 3.06Å
587	T	55.7	Low	64.1	Low	106 Å²	106	90 Å²	90	65%	0.65	47%	0.466	S	S	*	.	H	α-helix	trans	-57.8	-45.5	172.4	-48.2	0	0	0	0	111.3	Q585 K591	Q585-T587 VanDerWaalsContact C-N 3.33Å; Q585-T587 PolarHBondContact O-N 3Å; T587-K591 WeakPolarHBondContact O-CB 3.38Å; T587-K591 PolarHBondContact O-N 2.93Å
588	D	62.3	Low	64.1	Low	86 Å²	86	91.4 Å²	91.4	46%	0.46	47%	0.471	S	S	.	.	H	α-helix	trans	-73.4	-28.9	178.9	-79.1	-42.2	0	0	0	113.7	Q585 I586 K591 Q592	Q585-D588 CarbonylContact O-C 3.49Å; Q585-D588 PolarHBondContact O-N 2.9Å; Q585-D588 VanDerWaalsContact O-N 3.16Å; I586-D588 VanDerWaalsContact C-N 3.33Å; I586-D588 PolarHBondContact O-N 2.81Å; D588-K591 IonicContact OD1-NZ 3.95Å; D588-K591 PolarHBondContact OD1-NZ 3.42Å; D588-Q592 WeakPolarHBondContact O-CA 3.5Å; D588-Q592 WeakPolarHBondContact O-CB 3.26Å; D588-Q592 PolarHBondContact O-N 2.71Å
589	L	61.5	Low	64.1	Low	53 Å²	53	92.8 Å²	92.8	28%	0.277	47%	0.469	S	S	.	.	H	α-helix	trans	-75.7	-39.8	174.9	-74	169.6	0	0	0	111.9	I103 Q585 I586 Q592 S593	I103-L589 HydrophobicContact CD1-CD1 3.92Å; Q585-L589 HydrophobicContact CB-CD1 4.47Å; Q585-L589 HydrophobicContact CB-CG 4.46Å; Q585-L589 WeakPolarHBondContact O-CB 3.38Å; Q585-L589 VanDerWaalsContact O-CG 3.28Å; Q585-L589 WeakPolarHBondContact O-CG 3.35Å; Q585-L589 PolarHBondContact O-N 2.69Å; I586-L589 PolarHBondContact O-N 2.84Å; L589-Q592 PolarHBondContact O-N 3.47Å; L589-S593 WeakPolarHBondContact O-CB 3.46Å; L589-S593 PolarHBondContact O-N 3Å
590	I	63.9	Low	64.4	Low	111 Å²	111	95 Å²	95	57%	0.569	47%	0.468	S	S	*	.	H	α-helix	trans	-63.1	-49.5	171	-69.6	171.5	0	0	0	108.9	I586 Q592 S593 Y594	I586-I590 HydrophobicContact CG2-CD1 3.74Å; I586-I590 HydrophobicContact CG2-CG1 4.29Å; I586-I590 WeakPolarHBondContact O-CB 3.43Å; I586-I590 VanDerWaalsContact O-CG1 3.29Å; I586-I590 WeakPolarHBondContact O-CG1 3.23Å; I586-I590 PolarHBondContact O-N 3.06Å; I590-Q592 VanDerWaalsContact C-N 3.33Å; I590-Q592 PolarHBondContact O-N 3.11Å; I590-S593 PolarHBondContact O-N 2.94Å; I590-Y594 WeakPolarHBondContact O-CB 3.31Å; I590-Y594 PolarHBondContact O-N 3.4Å
591	K	64.1	Low	64.9	Low	85 Å²	85	91.5 Å²	91.5	37%	0.37	45%	0.452	S	S	.	.	H	α-helix	trans	-57.9	-39.1	173.3	174.8	174.5	159.2	-155	0	112.5	T587 D588 M595	T587-K591 WeakPolarHBondContact O-CB 3.38Å; T587-K591 PolarHBondContact O-N 2.93Å; D588-K591 IonicContact OD1-NZ 3.95Å; D588-K591 PolarHBondContact OD1-NZ 3.42Å; K591-M595 WeakPolarHBondContact O-CB 3.44Å; K591-M595 WeakPolarHBondContact O-CG 3.23Å; K591-M595 PolarHBondContact O-N 2.84Å
592	Q	68.8	Low	66	Low	124 Å²	124	86.9 Å²	86.9	58%	0.579	43%	0.432	S	S	*	.	H	α-helix	trans	-69.3	-43	175.9	-173.1	-179.1	32.4	0	0	111.7	D588 L589 I590 K596	D588-Q592 WeakPolarHBondContact O-CA 3.5Å; D588-Q592 WeakPolarHBondContact O-CB 3.26Å; D588-Q592 PolarHBondContact O-N 2.71Å; L589-Q592 PolarHBondContact O-N 3.47Å; I590-Q592 VanDerWaalsContact C-N 3.33Å; I590-Q592 PolarHBondContact O-N 3.11Å; Q592-K596 WeakPolarHBondContact O-CB 3.28Å; Q592-K596 PolarHBondContact O-N 3.06Å
593	S	64.8	Low	67	Low	70 Å²	70	86.7 Å²	86.7	49%	0.49	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-43.1	176	-171.4	0	0	0	0	111.7	L589 I590 K596 T597	L589-S593 WeakPolarHBondContact O-CB 3.46Å; L589-S593 PolarHBondContact O-N 3Å; I590-S593 PolarHBondContact O-N 2.94Å; S593-K596 PolarHBondContact O-N 3.12Å; S593-T597 WeakPolarHBondContact O-CB 3.33Å; S593-T597 PolarHBondContact O-N 2.71Å; S593-T597 PolarHBondContact O-OG1 3.41Å
594	Y	71.1	Confident	68.4	Low	51 Å²	51	86.8 Å²	86.8	20%	0.2	43%	0.429	C	S	.	.	H	α-helix	trans	-61.1	-52.9	173.7	-179.8	-87.2	0	0	0	111.4	I590 K596 T597 F598 L682 Y686	I590-Y594 WeakPolarHBondContact O-CB 3.31Å; I590-Y594 PolarHBondContact O-N 3.4Å; Y594-K596 VanDerWaalsContact C-N 3.32Å; Y594-K596 PolarHBondContact O-N 2.89Å; Y594-T597 WeakPolarHBondContact O-CB 3.41Å; Y594-T597 PolarHBondContact O-N 3.05Å; Y594-F598 WeakPolarHBondContact O-CB 3.42Å; Y594-F598 PolarHBondContact O-N 3.48Å; Y594-L682 HydrophobicContact CE2-CB 4.45Å; Y594-L682 HydrophobicContact CE2-CD2 3.88Å; Y594-L682 HydrophobicContact CE2-CG 3.76Å; Y594-L682 WeakPolarHBondContact OH-CA 3.21Å; Y594-L682 VanDerWaalsContact OH-CB 3.28Å; Y594-L682 WeakPolarHBondContact OH-CB 3.34Å; Y594-L682 PolarHBondContact OH-O 3.49Å; Y594-Y686 AromaticContact CD1-CD2 3.64Å; Y594-Y686 HydrophobicContact CD1-CD2 3.64Å; Y594-Y686 AromaticContact CD1-CE2 3.99Å; Y594-Y686 HydrophobicContact CD1-CE2 3.99Å; Y594-Y686 HydrophobicContact CD1-CG 4.47Å; Y594-Y686 AromaticContact CE1-CD2 3.44Å; Y594-Y686 HydrophobicContact CE1-CD2 3.44Å; Y594-Y686 VanDerWaalsContact CE1-CD2 3.44Å; Y594-Y686 HydrophobicContact CE1-CE2 4.18Å; Y594-Y686 AromaticContact CE1-CG 3.85Å; Y594-Y686 HydrophobicContact CE1-CG 3.85Å; Y594-Y686 HydrophobicContact CG-CD2 4.29Å; Y594-Y686 AromaticContact CZ-CD2 3.94Å
595	M	70.4	Confident	69.7	Low	72 Å²	72	86.9 Å²	86.9	36%	0.355	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-36.7	177.3	-72.4	-70.6	172.9	0	0	112.3	K591 T597 F598 M599 Y686	K591-M595 WeakPolarHBondContact O-CB 3.44Å; K591-M595 WeakPolarHBondContact O-CG 3.23Å; K591-M595 PolarHBondContact O-N 2.84Å; M595-T597 VanDerWaalsContact C-N 3.29Å; M595-T597 PolarHBondContact O-N 2.89Å; M595-F598 PolarHBondContact O-N 2.94Å; M595-M599 VanDerWaalsContact O-CB 3.28Å; M595-M599 WeakPolarHBondContact O-CB 3.43Å; M595-M599 VanDerWaalsContact O-CG 3.29Å; M595-M599 WeakPolarHBondContact O-CG 3.35Å; M595-M599 PolarHBondContact O-N 2.94Å; M595-Y686 HydrophobicContact CE-CE1 4.14Å; M595-Y686 HydrophobicContact CE-CE2 4.29Å
596	K	76.1	Confident	70.8	Confident	137 Å²	137	85.7 Å²	85.7	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-66.5	-30.7	174.4	-174.3	177.5	-173.4	177.5	0	112.3	Q592 S593 Y594 K600	Q592-K596 WeakPolarHBondContact O-CB 3.28Å; Q592-K596 PolarHBondContact O-N 3.06Å; S593-K596 PolarHBondContact O-N 3.12Å; Y594-K596 VanDerWaalsContact C-N 3.32Å; Y594-K596 PolarHBondContact O-N 2.89Å; K596-K600 WeakPolarHBondContact O-CG 3.45Å; K596-K600 PolarHBondContact O-N 2.85Å
597	T	73.7	Confident	71.9	Confident	70 Å²	70	88 Å²	88	43%	0.429	43%	0.429	S	S	.	.	H	α-helix	trans	-77.2	-47.4	173.9	-54.9	0	0	0	0	110.6	S593 Y594 M595 M599 K600 L601	S593-T597 WeakPolarHBondContact O-CB 3.33Å; S593-T597 PolarHBondContact O-N 2.71Å; S593-T597 PolarHBondContact O-OG1 3.41Å; Y594-T597 WeakPolarHBondContact O-CB 3.41Å; Y594-T597 PolarHBondContact O-N 3.05Å; M595-T597 VanDerWaalsContact C-N 3.29Å; M595-T597 PolarHBondContact O-N 2.89Å; T597-M599 PolarHBondContact O-N 2.79Å; T597-K600 WeakPolarHBondContact O-CB 3.36Å; T597-K600 PolarHBondContact O-N 3.44Å; T597-K600 VanDerWaalsContact O-N 3.11Å; T597-L601 WeakPolarHBondContact O-CG 3.46Å; T597-L601 PolarHBondContact O-N 3.31Å
598	F	76.9	Confident	73.1	Confident	54 Å²	54	84.2 Å²	84.2	24%	0.237	41%	0.405	C	S	.	.	H	α-helix	trans	-56.8	-45.5	174.2	-175.9	-95.4	0	0	0	112.4	Y594 M595 K600 L601 K602 L679 L682	Y594-F598 WeakPolarHBondContact O-CB 3.42Å; Y594-F598 PolarHBondContact O-N 3.48Å; M595-F598 PolarHBondContact O-N 2.94Å; F598-K600 PolarHBondContact O-N 3.18Å; F598-L601 PolarHBondContact O-N 3.16Å; F598-K602 WeakPolarHBondContact O-CB 3.47Å; F598-K602 PolarHBondContact O-N 3.2Å; F598-L679 HydrophobicContact CD2-CD1 4.39Å; F598-L679 HydrophobicContact CD2-CG 4.06Å; F598-L679 HydrophobicContact CE2-CD1 4.14Å; F598-L679 HydrophobicContact CE2-CD2 3.71Å; F598-L679 HydrophobicContact CE2-CG 3.59Å; F598-L679 HydrophobicContact CZ-CD1 4.41Å; F598-L679 HydrophobicContact CZ-CD2 3.92Å; F598-L679 HydrophobicContact CZ-CG 4.16Å; F598-L682 HydrophobicContact CB-CD2 4.19Å; F598-L682 HydrophobicContact CD2-CB 4.45Å; F598-L682 HydrophobicContact CD2-CD2 4.16Å
599	M	73.8	Confident	73.9	Confident	119 Å²	119	82.5 Å²	82.5	59%	0.586	40%	0.4	S	S	*	.	H	α-helix	trans	-63.5	-37.7	174.5	-77.3	-177.8	171.8	0	0	112.6	M595 T597 K602 L603	M595-M599 VanDerWaalsContact O-CB 3.28Å; M595-M599 WeakPolarHBondContact O-CB 3.43Å; M595-M599 VanDerWaalsContact O-CG 3.29Å; M595-M599 WeakPolarHBondContact O-CG 3.35Å; M595-M599 PolarHBondContact O-N 2.94Å; T597-M599 PolarHBondContact O-N 2.79Å; M599-K602 PolarHBondContact O-N 3.03Å; M599-L603 WeakPolarHBondContact O-CB 3.43Å; M599-L603 VanDerWaalsContact O-CG 3.32Å; M599-L603 WeakPolarHBondContact O-CG 3.35Å; M599-L603 PolarHBondContact O-N 2.86Å
600	K	78	Confident	74.7	Confident	135 Å²	135	82.1 Å²	82.1	59%	0.587	40%	0.398	S	S	*	.	H	α-helix	trans	-65	-39.5	174	-82.5	179.9	173.2	-169.2	0	112.5	K596 T597 F598 K604	K596-K600 WeakPolarHBondContact O-CG 3.45Å; K596-K600 PolarHBondContact O-N 2.85Å; T597-K600 WeakPolarHBondContact O-CB 3.36Å; T597-K600 PolarHBondContact O-N 3.44Å; T597-K600 VanDerWaalsContact O-N 3.11Å; F598-K600 PolarHBondContact O-N 3.18Å; K600-K604 WeakPolarHBondContact O-CG 3.33Å; K600-K604 PolarHBondContact O-N 2.82Å
601	L	77.2	Confident	75.2	Confident	16 Å²	16	77.7 Å²	77.7	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-69.3	-40.1	175.5	-64.7	174.8	0	0	0	111.2	T597 F598 K604 K605 L675 E678 L679 L682	T597-L601 WeakPolarHBondContact O-CG 3.46Å; T597-L601 PolarHBondContact O-N 3.31Å; F598-L601 PolarHBondContact O-N 3.16Å; L601-K604 PolarHBondContact O-N 3.35Å; L601-K605 PolarHBondContact O-N 3.26Å; L601-L675 HydrophobicContact CB-CD2 4.32Å; L601-L675 HydrophobicContact CD2-CD2 3.76Å; L601-E678 HydrophobicContact CD1-CG 3.99Å; L601-E678 WeakPolarHBondContact CD2-OE2 3.45Å; L601-L679 HydrophobicContact CB-CD1 4.17Å; L601-L682 HydrophobicContact CD1-CD2 4.3Å
602	K	77.1	Confident	75.6	Confident	93 Å²	93	74.3 Å²	74.3	40%	0.404	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-49.2	173.8	-171.2	174.2	179.4	-75.7	0	112	F598 M599 K604 K605 E606 L679	F598-K602 WeakPolarHBondContact O-CB 3.47Å; F598-K602 PolarHBondContact O-N 3.2Å; M599-K602 PolarHBondContact O-N 3.03Å; K602-K604 VanDerWaalsContact C-N 3.33Å; K602-K604 PolarHBondContact O-N 2.7Å; K602-K605 WeakPolarHBondContact O-CB 3.34Å; K602-K605 PolarHBondContact O-N 2.89Å; K602-K605 VanDerWaalsContact O-N 3.1Å; K602-E606 IonicContact NZ-OE1 2.69Å; K602-E606 PolarHBondContact NZ-OE1 3.46Å; K602-E606 IonicContact NZ-OE2 3.87Å; K602-E606 WeakPolarHBondContact O-CG 3.1Å; K602-E606 PolarHBondContact O-N 3.44Å; K602-L679 HydrophobicContact CB-CD1 4.11Å
603	L	78.3	Confident	75.9	Confident	108 Å²	108	74.3 Å²	74.3	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-62	-37.2	176.6	-75.6	166.6	0	0	0	112.7	M599 E606 K607	M599-L603 WeakPolarHBondContact O-CB 3.43Å; M599-L603 VanDerWaalsContact O-CG 3.32Å; M599-L603 WeakPolarHBondContact O-CG 3.35Å; M599-L603 PolarHBondContact O-N 2.86Å; L603-E606 PolarHBondContact O-N 2.98Å; L603-K607 WeakPolarHBondContact O-CG 3.29Å; L603-K607 PolarHBondContact O-N 3.1Å
604	K	78.9	Confident	76.3	Confident	132 Å²	132	71.1 Å²	71.1	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-63.6	-42.1	171.9	-82	-176	171.4	-168.1	0	112.3	K600 L601 K602 I608 L675	K600-K604 WeakPolarHBondContact O-CG 3.33Å; K600-K604 PolarHBondContact O-N 2.82Å; L601-K604 PolarHBondContact O-N 3.35Å; K602-K604 VanDerWaalsContact C-N 3.33Å; K602-K604 PolarHBondContact O-N 2.7Å; K604-I608 WeakPolarHBondContact O-CG1 3.48Å; K604-I608 PolarHBondContact O-N 2.81Å; K604-I608 VanDerWaalsContact O-N 3.16Å; K604-L675 HydrophobicContact CB-CD1 4.11Å; K604-L675 HydrophobicContact CB-CD2 4.37Å
605	K	81.3	Confident	76.3	Confident	68 Å²	68	69.7 Å²	69.7	30%	0.296	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-42.1	176.1	177.5	-174.8	165.8	-178.1	0	111.3	L601 K602 I608 S609 R672 N676	L601-K605 PolarHBondContact O-N 3.26Å; K602-K605 WeakPolarHBondContact O-CB 3.34Å; K602-K605 PolarHBondContact O-N 2.89Å; K602-K605 VanDerWaalsContact O-N 3.1Å; K605-I608 PolarHBondContact O-N 3.34Å; K605-S609 PolarHBondContact O-N 2.96Å; K605-R672 HydrophobicContact CG-CG 4.46Å; K605-N676 VanDerWaalsContact CE-OD1 3.25Å; K605-N676 WeakPolarHBondContact CE-OD1 3.45Å; K605-N676 PolarHBondContact NZ-OD1 3.09Å
606	E	78.3	Confident	76.1	Confident	74 Å²	74	72.3 Å²	72.3	35%	0.346	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-53.4	176.1	-73.6	167.1	154.2	0	0	109.9	K602 L603 I608 S609 D610	K602-E606 IonicContact NZ-OE1 2.69Å; K602-E606 PolarHBondContact NZ-OE1 3.46Å; K602-E606 IonicContact NZ-OE2 3.87Å; K602-E606 WeakPolarHBondContact O-CG 3.1Å; K602-E606 PolarHBondContact O-N 3.44Å; L603-E606 PolarHBondContact O-N 2.98Å; E606-I608 PolarHBondContact O-N 3.34Å; E606-S609 WeakPolarHBondContact O-CA 3.36Å; E606-S609 VanDerWaalsContact O-CB 3.28Å; E606-S609 WeakPolarHBondContact O-CB 3.37Å; E606-S609 PolarHBondContact O-N 2.83Å; E606-D610 PolarHBondContact O-N 3.48Å; E606-D610 VanDerWaalsContact O-OD1 3.09Å
607	K	78.6	Confident	75.5	Confident	84 Å²	84	70.2 Å²	70.2	37%	0.365	35%	0.349	S	S	.	.	H	α-helix	trans	-53.5	-34.3	174.8	-75.4	-154.1	175.4	-167.9	0	114.7	L603 D610 V611 E640	L603-K607 WeakPolarHBondContact O-CG 3.29Å; L603-K607 PolarHBondContact O-N 3.1Å; K607-D610 WeakPolarHBondContact CA-OD2 3.49Å; K607-V611 WeakPolarHBondContact O-CG2 3.32Å; K607-V611 PolarHBondContact O-N 3.3Å; K607-E640 IonicContact NZ-OE1 3.84Å; K607-E640 PolarHBondContact NZ-OE1 3.41Å; K607-E640 IonicContact NZ-OE2 2.81Å; K607-E640 PolarHBondContact NZ-OE2 2.95Å
608	I	79.9	Confident	74.7	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-76.5	-34	176.3	-72.7	165.3	0	0	0	111.5	K604 K605 E606 Q612 L668 K671 R672 L675	K604-I608 WeakPolarHBondContact O-CG1 3.48Å; K604-I608 PolarHBondContact O-N 2.81Å; K604-I608 VanDerWaalsContact O-N 3.16Å; K605-I608 PolarHBondContact O-N 3.34Å; E606-I608 PolarHBondContact O-N 3.34Å; I608-Q612 WeakPolarHBondContact O-CB 3.47Å; I608-Q612 PolarHBondContact O-N 2.75Å; I608-L668 HydrophobicContact CG1-CD2 4.29Å; I608-L668 HydrophobicContact CG2-CB 4.32Å; I608-L668 HydrophobicContact CG2-CD2 4.09Å; I608-K671 HydrophobicContact CD1-CB 4.16Å; I608-R672 HydrophobicContact CG2-CB 3.84Å; I608-R672 HydrophobicContact CG2-CG 4.22Å; I608-L675 HydrophobicContact CD1-CD1 3.59Å
609	S	78.6	Confident	73.5	Confident	49 Å²	49	72 Å²	72	34%	0.343	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-44.7	174.4	-158.8	0	0	0	0	111.3	K605 E606 V611 Q612 E613	K605-S609 PolarHBondContact O-N 2.96Å; E606-S609 WeakPolarHBondContact O-CA 3.36Å; E606-S609 VanDerWaalsContact O-CB 3.28Å; E606-S609 WeakPolarHBondContact O-CB 3.37Å; E606-S609 PolarHBondContact O-N 2.83Å; S609-V611 VanDerWaalsContact C-N 3.3Å; S609-V611 PolarHBondContact O-N 3.22Å; S609-Q612 CarbonylContact O-C 3.58Å; S609-Q612 WeakPolarHBondContact O-CA 3.25Å; S609-Q612 WeakPolarHBondContact O-CB 3.25Å; S609-Q612 PolarHBondContact O-N 3.31Å; S609-Q612 VanDerWaalsContact O-N 3.07Å; S609-E613 WeakPolarHBondContact O-CB 3.3Å; S609-E613 PolarHBondContact O-N 3.35Å
610	D	78.1	Confident	73	Confident	45 Å²	45	68 Å²	68	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-56.3	-45.2	177.5	-51.5	-21.3	0	0	0	110.9	E606 K607 E613 A614 M634 H636	E606-D610 PolarHBondContact O-N 3.48Å; E606-D610 VanDerWaalsContact O-OD1 3.09Å; K607-D610 WeakPolarHBondContact CA-OD2 3.49Å; D610-E613 PolarHBondContact O-N 3.33Å; D610-A614 PolarHBondContact O-N 3.45Å; D610-M634 HydrophobicContact CB-SD 3.87Å; D610-H636 IonicContact OD2-CD2 3.96Å; D610-H636 IonicContact OD2-CE1 3.57Å; D610-H636 PolarHBondContact OD2-CE1 3.29Å; D610-H636 IonicContact OD2-NE2 2.81Å; D610-H636 PolarHBondContact OD2-NE2 3.34Å
611	V	74.8	Confident	72.3	Confident	18 Å²	18	69 Å²	69	11%	0.109	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-38.7	175.9	178.6	0	0	0	0	111.8	K607 S609 E613 L615 F627 L631 M664 L668	K607-V611 WeakPolarHBondContact O-CG2 3.32Å; K607-V611 PolarHBondContact O-N 3.3Å; S609-V611 VanDerWaalsContact C-N 3.3Å; S609-V611 PolarHBondContact O-N 3.22Å; V611-E613 VanDerWaalsContact C-N 3.26Å; V611-E613 PolarHBondContact O-N 3.2Å; V611-L615 HydrophobicContact CG1-CD1 4.2Å; V611-L615 WeakPolarHBondContact O-CB 3.14Å; V611-L615 VanDerWaalsContact O-CG 3.27Å; V611-L615 WeakPolarHBondContact O-CG 3.34Å; V611-L615 PolarHBondContact O-N 3.32Å; V611-F627 HydrophobicContact CG1-CZ 4.06Å; V611-L631 HydrophobicContact CB-CD2 4.47Å; V611-L631 HydrophobicContact CG2-CD1 4.15Å; V611-L631 HydrophobicContact CG2-CD2 3.76Å; V611-M664 HydrophobicContact CG1-CE 3.85Å; V611-L668 HydrophobicContact CB-CD1 4.37Å; V611-L668 HydrophobicContact CG1-CD1 3.55Å
612	Q	73.7	Confident	71.8	Confident	14 Å²	14	69 Å²	69	7%	0.065	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-27	174.8	-160.6	-174.7	8.8	0	0	112.2	I608 S609 Q616 E669	I608-Q612 WeakPolarHBondContact O-CB 3.47Å; I608-Q612 PolarHBondContact O-N 2.75Å; S609-Q612 CarbonylContact O-C 3.58Å; S609-Q612 WeakPolarHBondContact O-CA 3.25Å; S609-Q612 WeakPolarHBondContact O-CB 3.25Å; S609-Q612 PolarHBondContact O-N 3.31Å; S609-Q612 VanDerWaalsContact O-N 3.07Å; Q612-Q616 WeakPolarHBondContact O-CG 3.4Å; Q612-Q616 PolarHBondContact O-N 3.39Å; Q612-Q616 PolarHBondContact O-NE2 3.23Å; Q612-E669 PolarHBondContact NE2-OE1 2.76Å
613	E	75.3	Confident	71.4	Confident	125 Å²	125	70.2 Å²	70.2	58%	0.584	38%	0.379	S	S	*	.	H	α-helix	trans	-81.2	-43	177	-169.8	164.4	170.8	0	0	111.7	S609 D610 V611 L615 Q616 S617	S609-E613 WeakPolarHBondContact O-CB 3.3Å; S609-E613 PolarHBondContact O-N 3.35Å; D610-E613 PolarHBondContact O-N 3.33Å; V611-E613 VanDerWaalsContact C-N 3.26Å; V611-E613 PolarHBondContact O-N 3.2Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 3.36Å; E613-Q616 WeakPolarHBondContact O-CA 3.32Å; E613-Q616 PolarHBondContact O-N 2.75Å; E613-S617 PolarHBondContact O-N 3.44Å; E613-S617 VanDerWaalsContact O-N 3.09Å
614	A	72.5	Confident	71.1	Confident	3 Å²	3	66.8 Å²	66.8	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-55.7	-46.8	170.5	0	0	0	0	0	111.3	D610 Q616 S617 F627 L631 M634	D610-A614 PolarHBondContact O-N 3.45Å; A614-Q616 PolarHBondContact O-N 2.94Å; A614-Q616 VanDerWaalsContact O-N 3.15Å; A614-S617 PolarHBondContact O-N 3.27Å; A614-S617 VanDerWaalsContact O-N 3.16Å; A614-S617 PolarHBondContact O-OG 3.38Å; A614-F627 HydrophobicContact CB-CD2 4.46Å; A614-F627 HydrophobicContact CB-CE2 4.29Å; A614-L631 HydrophobicContact CB-CD2 4.17Å; A614-L631 HydrophobicContact CB-CG 4.29Å; A614-M634 HydrophobicContact CB-CE 4.37Å
615	L	70.3	Confident	70.8	Confident	20 Å²	20	65.4 Å²	65.4	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-9.5	174.1	-70.3	173.2	0	0	0	114.7	V611 E613 I622 F627 M664 L668	V611-L615 HydrophobicContact CG1-CD1 4.2Å; V611-L615 WeakPolarHBondContact O-CB 3.14Å; V611-L615 VanDerWaalsContact O-CG 3.27Å; V611-L615 WeakPolarHBondContact O-CG 3.34Å; V611-L615 PolarHBondContact O-N 3.32Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 3.36Å; L615-I622 HydrophobicContact CD2-CD1 4.08Å; L615-F627 HydrophobicContact CD2-CD2 4.48Å; L615-F627 HydrophobicContact CD2-CE2 3.83Å; L615-F627 HydrophobicContact CG-CE2 4.04Å; L615-M664 HydrophobicContact CD1-CE 4.49Å; L615-M664 HydrophobicContact CD1-CG 4.16Å; L615-M664 HydrophobicContact CD1-SD 4.16Å; L615-M664 HydrophobicContact CD2-SD 4.46Å; L615-L668 HydrophobicContact CD1-CD1 3.85Å
616	Q	68	Low	70.5	Confident	127 Å²	127	66.3 Å²	66.3	59%	0.593	36%	0.362	S	S	*	.	H	α-helix	trans	-100.8	-19.2	173.6	-80.2	173.2	85.5	0	0	113.3	Q612 E613 A614	Q612-Q616 WeakPolarHBondContact O-CG 3.4Å; Q612-Q616 PolarHBondContact O-N 3.39Å; Q612-Q616 PolarHBondContact O-NE2 3.23Å; E613-Q616 WeakPolarHBondContact O-CA 3.32Å; E613-Q616 PolarHBondContact O-N 2.75Å; A614-Q616 PolarHBondContact O-N 2.94Å; A614-Q616 VanDerWaalsContact O-N 3.15Å
617	S	62.5	Low	70.2	Confident	93 Å²	93	63 Å²	63	65%	0.65	35%	0.346	S	S	*	.	H	α-helix	trans	-74.6	-26.3	178.2	66.5	0	0	0	0	114.1	E613 A614	E613-S617 PolarHBondContact O-N 3.44Å; E613-S617 VanDerWaalsContact O-N 3.09Å; A614-S617 PolarHBondContact O-N 3.27Å; A614-S617 VanDerWaalsContact O-N 3.16Å; A614-S617 PolarHBondContact O-OG 3.38Å
618	G	57.7	Low	70.2	Confident	30 Å²	30	63 Å²	63	31%	0.309	34%	0.344	S	S	.	.			trans	-99.9	130.5	175.7	0	0	0	0	0	111.8
619	S	50.4	Low	70	Confident	133 Å²	133	66.5 Å²	66.5	93%	0.93	36%	0.36	S	S	*	.	S	Bend	trans	-109.2	42.3	-179.3	72.4	0	0	0	0	113
620	G	64.5	Low	70	Confident	35 Å²	35	66.1 Å²	66.1	36%	0.361	36%	0.355	S	S	.	.	S	Bend	trans	-172.3	-163.4	-174.9	0	0	0	0	0	112.4	I622 Q661	G620-I622 PolarHBondContact O-N 3.29Å; G620-Q661 PolarHBondContact O-NE2 2.93Å
621	E	62.7	Low	70	Confident	154 Å²	154	64.2 Å²	64.2	72%	0.72	35%	0.345	S	S	*	.			trans	-59.1	130.7	169.7	-72.1	165.2	-161.8	0	0	110	V655	E621-V655 HydrophobicContact CB-CG1 3.86Å
622	I	66.5	Low	70.1	Confident	17 Å²	17	68.4 Å²	68.4	9%	0.087	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	109.3	-175.5	-60.3	173.9	0	0	0	109	L615 G620 F627 V655 L656	L615-I622 HydrophobicContact CD2-CD1 4.08Å; G620-I622 PolarHBondContact O-N 3.29Å; I622-F627 HydrophobicContact CG2-CB 3.75Å; I622-F627 HydrophobicContact CG2-CD2 4.32Å; I622-F627 HydrophobicContact CG2-CG 4.42Å; I622-V655 WeakPolarHBondContact O-CA 3.31Å; I622-L656 PolarHBondContact O-N 2.8Å
623	E	68.8	Low	70.4	Confident	118 Å²	118	76 Å²	76	55%	0.551	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	140.6	169.6	-68.9	-167.2	-170.4	0	0	111	K625 D626 F627 V655	E623-K625 PolarHBondContact O-N 2.87Å; E623-D626 PolarHBondContact O-N 2.97Å; E623-D626 VanDerWaalsContact O-N 3.16Å; E623-F627 PolarHBondContact O-N 3.17Å; E623-V655 HydrophobicContact CG-CG2 4.29Å
624	F	71.6	Confident	70.3	Confident	37 Å²	37	73.7 Å²	73.7	16%	0.162	39%	0.387	C	S	.	.	H	α-helix	trans	-51.3	-33.8	176.9	175.5	-129	0	0	0	113.2	R628 I641 F645 Q654	F624-R628 HydrophobicContact CE2-CB 4.36Å; F624-R628 WeakPolarHBondContact O-CB 3.37Å; F624-R628 PolarHBondContact O-N 2.96Å; F624-I641 HydrophobicContact CE2-CG2 4.38Å; F624-F645 HydrophobicContact CB-CD1 4.28Å; F624-F645 HydrophobicContact CB-CD2 4.49Å; F624-F645 HydrophobicContact CB-CE1 3.77Å; F624-F645 HydrophobicContact CB-CE2 3.97Å; F624-F645 HydrophobicContact CB-CZ 3.58Å; F624-F645 HydrophobicContact CD2-CB 3.86Å; F624-F645 AromaticContact CD2-CD1 3.67Å; F624-F645 HydrophobicContact CD2-CD1 3.67Å; F624-F645 AromaticContact CD2-CD2 3.59Å; F624-F645 HydrophobicContact CD2-CD2 3.59Å; F624-F645 HydrophobicContact CD2-CE1 4.05Å; F624-F645 AromaticContact CD2-CE2 3.93Å; F624-F645 HydrophobicContact CD2-CE2 3.93Å; F624-F645 AromaticContact CD2-CG 3.42Å; F624-F645 HydrophobicContact CD2-CG 3.42Å; F624-F645 VanDerWaalsContact CD2-CG 3.42Å; F624-F645 HydrophobicContact CD2-CZ 4.15Å; F624-F645 HydrophobicContact CE2-CB 3.82Å; F624-F645 HydrophobicContact CE2-CD1 4.32Å; F624-F645 HydrophobicContact CE2-CD2 4.35Å; F624-F645 AromaticContact CE2-CG 3.92Å; F624-F645 HydrophobicContact CE2-CG 3.92Å; F624-F645 HydrophobicContact CG-CD1 4.17Å; F624-F645 HydrophobicContact CG-CD2 4.48Å; F624-F645 HydrophobicContact CG-CE1 4.16Å; F624-F645 HydrophobicContact CG-CE2 4.44Å; F624-F645 HydrophobicContact CG-CG 4.32Å; F624-F645 HydrophobicContact CG-CZ 4.28Å; F624-Q654 HydrophobicContact CB-CB 4.19Å; F624-Q654 VanDerWaalsContact CB-O 3.31Å; F624-Q654 WeakPolarHBondContact CB-O 3.5Å; F624-Q654 PolarHBondContact N-O 3.31Å
625	K	72.5	Confident	70.3	Confident	102 Å²	102	76.6 Å²	76.6	44%	0.443	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-47.3	-178.5	-174.4	-172.7	162.1	-63.8	0	112.2	E623 R628 E629	E623-K625 PolarHBondContact O-N 2.87Å; K625-R628 PolarHBondContact O-N 3.41Å; K625-E629 WeakPolarHBondContact CE-OE1 3.33Å; K625-E629 IonicContact NZ-OE1 3Å; K625-E629 PolarHBondContact NZ-OE1 2.8Å; K625-E629 IonicContact NZ-OE2 2.64Å; K625-E629 PolarHBondContact NZ-OE2 2.88Å; K625-E629 PolarHBondContact O-N 3.16Å
626	D	74.3	Confident	70.6	Confident	88 Å²	88	76.6 Å²	76.6	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-79.6	-34.2	-173	-68	1.7	0	0	0	111.1	E623 R628 E629 T630	E623-D626 PolarHBondContact O-N 2.97Å; E623-D626 VanDerWaalsContact O-N 3.16Å; D626-R628 VanDerWaalsContact C-N 3.26Å; D626-R628 PolarHBondContact O-N 2.89Å; D626-E629 PolarHBondContact O-N 2.88Å; D626-T630 WeakPolarHBondContact O-CG2 3.28Å; D626-T630 PolarHBondContact O-N 3.45Å; D626-T630 PolarHBondContact O-OG1 2.75Å
627	F	73.8	Confident	71.1	Confident	3 Å²	3	76.6 Å²	76.6	1%	0.013	42%	0.417	C	S	.	.	H	α-helix	trans	-60.4	-36.7	167.1	-170.4	-111.1	0	0	0	112.4	V611 A614 L615 I622 E623 T630 L631 F645 M664	V611-F627 HydrophobicContact CG1-CZ 4.06Å; A614-F627 HydrophobicContact CB-CD2 4.46Å; A614-F627 HydrophobicContact CB-CE2 4.29Å; L615-F627 HydrophobicContact CD2-CD2 4.48Å; L615-F627 HydrophobicContact CD2-CE2 3.83Å; L615-F627 HydrophobicContact CG-CE2 4.04Å; I622-F627 HydrophobicContact CG2-CB 3.75Å; I622-F627 HydrophobicContact CG2-CD2 4.32Å; I622-F627 HydrophobicContact CG2-CG 4.42Å; E623-F627 PolarHBondContact O-N 3.17Å; F627-T630 WeakPolarHBondContact CA-OG1 3.37Å; F627-T630 PolarHBondContact O-OG1 3.49Å; F627-T630 VanDerWaalsContact O-OG1 3.07Å; F627-L631 HydrophobicContact CD1-CD1 3.91Å; F627-L631 HydrophobicContact CD2-CD1 4.44Å; F627-L631 HydrophobicContact CE1-CD1 3.47Å; F627-L631 VanDerWaalsContact CE1-CD1 3.47Å; F627-L631 HydrophobicContact CE2-CD1 4.04Å; F627-L631 HydrophobicContact CG-CD1 4.39Å; F627-L631 HydrophobicContact CZ-CD1 3.55Å; F627-L631 WeakPolarHBondContact O-CB 3.5Å; F627-L631 WeakPolarHBondContact O-CG 3.31Å; F627-L631 PolarHBondContact O-N 2.84Å; F627-F645 HydrophobicContact CB-CE2 4.47Å; F627-F645 AromaticContact CD1-CD2 3.61Å; F627-F645 HydrophobicContact CD1-CD2 3.61Å; F627-F645 HydrophobicContact CD1-CE2 4.19Å; F627-F645 HydrophobicContact CE1-CD2 4.01Å; F627-F645 HydrophobicContact CG-CD2 4.35Å; F627-M664 HydrophobicContact CE1-CE 4.45Å; F627-M664 HydrophobicContact CZ-CE 3.87Å
628	R	76.9	Confident	71.6	Confident	86 Å²	86	74.9 Å²	74.9	33%	0.325	40%	0.401	S	S	.	.	H	α-helix	trans	-77	-36.2	178.2	176.7	-178.8	176.3	-158.6	4.6	112.9	F624 K625 D626 K632 D638 I641	F624-R628 HydrophobicContact CE2-CB 4.36Å; F624-R628 WeakPolarHBondContact O-CB 3.37Å; F624-R628 PolarHBondContact O-N 2.96Å; K625-R628 PolarHBondContact O-N 3.41Å; D626-R628 VanDerWaalsContact C-N 3.26Å; D626-R628 PolarHBondContact O-N 2.89Å; R628-K632 WeakPolarHBondContact O-CB 3.4Å; R628-K632 PolarHBondContact O-N 2.88Å; R628-D638 IonicContact CZ-OD1 3.55Å; R628-D638 IonicContact CZ-OD2 2.71Å; R628-D638 IonicContact NE-OD1 3.53Å; R628-D638 PolarHBondContact NE-OD1 3.46Å; R628-D638 IonicContact NE-OD2 2.69Å; R628-D638 IonicContact NH2-OD1 2.84Å; R628-D638 PolarHBondContact NH2-OD1 3.07Å; R628-D638 IonicContact NH2-OD2 3.82Å; R628-D638 PolarHBondContact NH2-OD2 3.03Å; R628-I641 HydrophobicContact CB-CG2 4.02Å; R628-I641 HydrophobicContact CG-CG2 4.14Å
629	E	77.5	Confident	72.5	Confident	99 Å²	99	81.1 Å²	81.1	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-67.3	-47.3	174.8	-78.3	170.6	-158.4	0	0	110.4	K625 D626 K632 E633	K625-E629 WeakPolarHBondContact CE-OE1 3.33Å; K625-E629 IonicContact NZ-OE1 3Å; K625-E629 PolarHBondContact NZ-OE1 2.8Å; K625-E629 IonicContact NZ-OE2 2.64Å; K625-E629 PolarHBondContact NZ-OE2 2.88Å; K625-E629 PolarHBondContact O-N 3.16Å; D626-E629 PolarHBondContact O-N 2.88Å; E629-K632 PolarHBondContact O-N 2.93Å; E629-E633 WeakPolarHBondContact O-CG 3.31Å; E629-E633 PolarHBondContact O-N 3.01Å
630	T	77.7	Confident	73.5	Confident	42 Å²	42	79 Å²	79	26%	0.258	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-50.1	177	48	0	0	0	0	113.7	D626 F627 K632 E633 M634	D626-T630 WeakPolarHBondContact O-CG2 3.28Å; D626-T630 PolarHBondContact O-N 3.45Å; D626-T630 PolarHBondContact O-OG1 2.75Å; F627-T630 WeakPolarHBondContact CA-OG1 3.37Å; F627-T630 PolarHBondContact O-OG1 3.49Å; F627-T630 VanDerWaalsContact O-OG1 3.07Å; T630-K632 PolarHBondContact O-N 2.83Å; T630-E633 PolarHBondContact O-N 2.73Å; T630-M634 WeakPolarHBondContact O-CG 3.38Å; T630-M634 PolarHBondContact O-N 3.24Å
631	L	77	Confident	74	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-24.2	177.9	-75	174.3	0	0	0	113.7	V611 A614 F627 M634 G635 H636 I641	V611-L631 HydrophobicContact CB-CD2 4.47Å; V611-L631 HydrophobicContact CG2-CD1 4.15Å; V611-L631 HydrophobicContact CG2-CD2 3.76Å; A614-L631 HydrophobicContact CB-CD2 4.17Å; A614-L631 HydrophobicContact CB-CG 4.29Å; F627-L631 HydrophobicContact CD1-CD1 3.91Å; F627-L631 HydrophobicContact CD2-CD1 4.44Å; F627-L631 HydrophobicContact CE1-CD1 3.47Å; F627-L631 VanDerWaalsContact CE1-CD1 3.47Å; F627-L631 HydrophobicContact CE2-CD1 4.04Å; F627-L631 HydrophobicContact CG-CD1 4.39Å; F627-L631 HydrophobicContact CZ-CD1 3.55Å; F627-L631 WeakPolarHBondContact O-CB 3.5Å; F627-L631 WeakPolarHBondContact O-CG 3.31Å; F627-L631 PolarHBondContact O-N 2.84Å; L631-M634 HydrophobicContact CD2-SD 4.07Å; L631-M634 CarbonylContact O-C 3.57Å; L631-M634 PolarHBondContact O-N 2.7Å; L631-G635 PolarHBondContact O-N 3.49Å; L631-H636 WeakPolarHBondContact O-CB 3.43Å; L631-H636 PolarHBondContact O-CD2 3Å; L631-H636 PolarHBondContact O-N 2.66Å; L631-I641 HydrophobicContact CB-CD1 3.72Å; L631-I641 HydrophobicContact CB-CG1 3.95Å; L631-I641 HydrophobicContact CD1-CG1 4.39Å; L631-I641 HydrophobicContact CD1-CG2 4.26Å
632	K	78.8	Confident	74.5	Confident	106 Å²	106	72.6 Å²	72.6	46%	0.461	36%	0.361	S	S	.	.	H	α-helix	trans	-81	-31.6	176.8	-172.2	173.8	-166.1	157.8	0	112.4	R628 E629 T630 M634 G635 D638 I641	R628-K632 WeakPolarHBondContact O-CB 3.4Å; R628-K632 PolarHBondContact O-N 2.88Å; E629-K632 PolarHBondContact O-N 2.93Å; T630-K632 PolarHBondContact O-N 2.83Å; K632-M634 VanDerWaalsContact C-N 3.31Å; K632-G635 PolarHBondContact O-N 3.22Å; K632-D638 IonicContact NZ-OD1 2.78Å; K632-D638 PolarHBondContact NZ-OD1 2.87Å; K632-D638 IonicContact NZ-OD2 2.56Å; K632-I641 HydrophobicContact CB-CD1 4.18Å
633	E	78.6	Confident	75	Confident	175 Å²	175	74.3 Å²	74.3	82%	0.818	38%	0.378	S	S	*	.	H	α-helix	trans	-65.3	-35.7	165.4	-70.3	-173.5	158.7	0	0	111.5	E629 T630 G635	E629-E633 WeakPolarHBondContact O-CG 3.31Å; E629-E633 PolarHBondContact O-N 3.01Å; T630-E633 PolarHBondContact O-N 2.73Å; E633-G635 PolarHBondContact O-N 3.24Å
634	M	74.4	Confident	75	Confident	75 Å²	75	70.5 Å²	70.5	37%	0.369	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-0.4	169.1	-61.3	171.9	-174.2	0	0	113.7	D610 A614 T630 L631 K632	D610-M634 HydrophobicContact CB-SD 3.87Å; A614-M634 HydrophobicContact CB-CE 4.37Å; T630-M634 WeakPolarHBondContact O-CG 3.38Å; T630-M634 PolarHBondContact O-N 3.24Å; L631-M634 HydrophobicContact CD2-SD 4.07Å; L631-M634 CarbonylContact O-C 3.57Å; L631-M634 PolarHBondContact O-N 2.7Å; K632-M634 VanDerWaalsContact C-N 3.31Å
635	G	71.3	Confident	75.1	Confident	64 Å²	64	69 Å²	69	66%	0.66	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	16.6	170.7	0	0	0	0	0	116.6	L631 K632 E633	L631-G635 PolarHBondContact O-N 3.49Å; K632-G635 PolarHBondContact O-N 3.22Å; E633-G635 PolarHBondContact O-N 3.24Å
636	H	77.8	Confident	75.2	Confident	20 Å²	20	68.2 Å²	68.2	9%	0.093	37%	0.367	C	S	.	.			trans	-78	151.5	177.4	-68.5	-112.8	0	0	0	112.4	D610 L631 I641	D610-H636 IonicContact OD2-CD2 3.96Å; D610-H636 IonicContact OD2-CE1 3.57Å; D610-H636 PolarHBondContact OD2-CE1 3.29Å; D610-H636 IonicContact OD2-NE2 2.81Å; D610-H636 PolarHBondContact OD2-NE2 3.34Å; L631-H636 WeakPolarHBondContact O-CB 3.43Å; L631-H636 PolarHBondContact O-CD2 3Å; L631-H636 PolarHBondContact O-N 2.66Å; H636-I641 HydrophobicContact CB-CD1 4.03Å; H636-I641 HydrophobicContact CB-CG1 3.9Å
637	E	78.7	Confident	75.2	Confident	128 Å²	128	69.9 Å²	69.9	60%	0.598	37%	0.372	S	S	*	.			trans	-73.8	133	177.4	-81.1	-165.3	-149.5	0	0	111.4	K639 E640 I641	E637-K639 PolarHBondContact O-N 2.84Å; E637-E640 HydrophobicContact CB-CG 4.2Å; E637-E640 WeakPolarHBondContact O-CA 3.49Å; E637-E640 WeakPolarHBondContact O-CB 3.36Å; E637-E640 PolarHBondContact O-N 3.25Å; E637-I641 PolarHBondContact O-N 3.2Å; E637-I641 VanDerWaalsContact O-N 3.07Å
638	D	72.3	Confident	75.1	Confident	56 Å²	56	71 Å²	71	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-49.1	-29.4	-178.8	-147.2	54.4	0	0	0	113.4	R628 K632 S642	R628-D638 IonicContact CZ-OD1 3.55Å; R628-D638 IonicContact CZ-OD2 2.71Å; R628-D638 IonicContact NE-OD1 3.53Å; R628-D638 PolarHBondContact NE-OD1 3.46Å; R628-D638 IonicContact NE-OD2 2.69Å; R628-D638 IonicContact NH2-OD1 2.84Å; R628-D638 PolarHBondContact NH2-OD1 3.07Å; R628-D638 IonicContact NH2-OD2 3.82Å; R628-D638 PolarHBondContact NH2-OD2 3.03Å; K632-D638 IonicContact NZ-OD1 2.78Å; K632-D638 PolarHBondContact NZ-OD1 2.87Å; K632-D638 IonicContact NZ-OD2 2.56Å; D638-S642 PolarHBondContact O-N 3.2Å; D638-S642 VanDerWaalsContact O-N 3.15Å; D638-S642 PolarHBondContact O-OG 3.18Å
639	K	75.8	Confident	75.1	Confident	161 Å²	161	68 Å²	68	70%	0.7	37%	0.368	S	S	*	.	H	α-helix	trans	-78.6	-38.2	176.2	-66.1	174.5	-177.5	167.7	0	114	E637 S642 A643	E637-K639 PolarHBondContact O-N 2.84Å; K639-S642 WeakPolarHBondContact CA-OG 3.32Å; K639-S642 PolarHBondContact O-OG 3.27Å; K639-A643 VanDerWaalsContact O-CB 3.25Å; K639-A643 WeakPolarHBondContact O-CB 3.44Å; K639-A643 PolarHBondContact O-N 3.47Å
640	E	72.4	Confident	74.7	Confident	89 Å²	89	73.5 Å²	73.5	42%	0.416	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-43.1	175.2	-66.7	179.3	129.9	0	0	109.5	K607 E637 A643 A644	K607-E640 IonicContact NZ-OE1 3.84Å; K607-E640 PolarHBondContact NZ-OE1 3.41Å; K607-E640 IonicContact NZ-OE2 2.81Å; K607-E640 PolarHBondContact NZ-OE2 2.95Å; E637-E640 HydrophobicContact CB-CG 4.2Å; E637-E640 WeakPolarHBondContact O-CA 3.49Å; E637-E640 WeakPolarHBondContact O-CB 3.36Å; E637-E640 PolarHBondContact O-N 3.25Å; E640-A643 PolarHBondContact O-N 3.4Å; E640-A644 WeakPolarHBondContact O-CB 3.31Å; E640-A644 PolarHBondContact O-N 3.46Å
641	I	75	Confident	74.4	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-57.7	-52.6	174.4	-58.5	171.7	0	0	0	110.4	F624 R628 L631 K632 H636 E637 A643 A644 F645	F624-I641 HydrophobicContact CE2-CG2 4.38Å; R628-I641 HydrophobicContact CB-CG2 4.02Å; R628-I641 HydrophobicContact CG-CG2 4.14Å; L631-I641 HydrophobicContact CB-CD1 3.72Å; L631-I641 HydrophobicContact CB-CG1 3.95Å; L631-I641 HydrophobicContact CD1-CG1 4.39Å; L631-I641 HydrophobicContact CD1-CG2 4.26Å; K632-I641 HydrophobicContact CB-CD1 4.18Å; H636-I641 HydrophobicContact CB-CD1 4.03Å; H636-I641 HydrophobicContact CB-CG1 3.9Å; E637-I641 PolarHBondContact O-N 3.2Å; E637-I641 VanDerWaalsContact O-N 3.07Å; I641-A643 VanDerWaalsContact C-N 3.32Å; I641-A643 PolarHBondContact O-N 3.09Å; I641-A644 PolarHBondContact O-N 2.9Å; I641-F645 PolarHBondContact O-N 3.37Å
642	S	73.5	Confident	74	Confident	51 Å²	51	79.2 Å²	79.2	36%	0.357	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-37.9	-179.7	62.7	0	0	0	0	112.9	D638 K639 S646	D638-S642 PolarHBondContact O-N 3.2Å; D638-S642 VanDerWaalsContact O-N 3.15Å; D638-S642 PolarHBondContact O-OG 3.18Å; K639-S642 WeakPolarHBondContact CA-OG 3.32Å; K639-S642 PolarHBondContact O-OG 3.27Å; S642-S646 WeakPolarHBondContact O-CB 3.24Å; S642-S646 PolarHBondContact O-N 3.46Å; S642-S646 PolarHBondContact O-OG 2.76Å; S642-S646 VanDerWaalsContact O-OG 3.09Å
643	A	75.3	Confident	73.8	Confident	53 Å²	53	77.7 Å²	77.7	44%	0.438	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-45.1	178.6	0	0	0	0	0	111.4	K639 E640 I641 S646 Q647	K639-A643 VanDerWaalsContact O-CB 3.25Å; K639-A643 WeakPolarHBondContact O-CB 3.44Å; K639-A643 PolarHBondContact O-N 3.47Å; E640-A643 PolarHBondContact O-N 3.4Å; I641-A643 VanDerWaalsContact C-N 3.32Å; I641-A643 PolarHBondContact O-N 3.09Å; A643-S646 WeakPolarHBondContact CA-OG 3.34Å; A643-S646 PolarHBondContact O-N 2.98Å; A643-S646 PolarHBondContact O-OG 3.15Å; A643-Q647 PolarHBondContact O-N 3.33Å
644	A	70.3	Confident	73.5	Confident	37 Å²	37	75.2 Å²	75.2	31%	0.306	41%	0.412	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.5	0	0	0	0	0	111.6	E640 I641 Q647 F648	E640-A644 WeakPolarHBondContact O-CB 3.31Å; E640-A644 PolarHBondContact O-N 3.46Å; I641-A644 PolarHBondContact O-N 2.9Å; A644-Q647 WeakPolarHBondContact O-CB 3.43Å; A644-Q647 PolarHBondContact O-N 3.23Å; A644-F648 VanDerWaalsContact O-CD2 3.28Å; A644-F648 WeakPolarHBondContact O-CD2 3.37Å
645	F	73.4	Confident	73.5	Confident	5 Å²	5	73.5 Å²	73.5	2%	0.022	41%	0.405	C	S	.	.	H	α-helix	trans	-61.3	-47.6	177.2	-162.2	-86.3	0	0	0	111.4	F624 F627 I641 Q647 F648 D649 L656	F624-F645 HydrophobicContact CB-CD1 4.28Å; F624-F645 HydrophobicContact CB-CD2 4.49Å; F624-F645 HydrophobicContact CB-CE1 3.77Å; F624-F645 HydrophobicContact CB-CE2 3.97Å; F624-F645 HydrophobicContact CB-CZ 3.58Å; F624-F645 HydrophobicContact CD2-CB 3.86Å; F624-F645 AromaticContact CD2-CD1 3.67Å; F624-F645 HydrophobicContact CD2-CD1 3.67Å; F624-F645 AromaticContact CD2-CD2 3.59Å; F624-F645 HydrophobicContact CD2-CD2 3.59Å; F624-F645 HydrophobicContact CD2-CE1 4.05Å; F624-F645 AromaticContact CD2-CE2 3.93Å; F624-F645 HydrophobicContact CD2-CE2 3.93Å; F624-F645 AromaticContact CD2-CG 3.42Å; F624-F645 HydrophobicContact CD2-CG 3.42Å; F624-F645 VanDerWaalsContact CD2-CG 3.42Å; F624-F645 HydrophobicContact CD2-CZ 4.15Å; F624-F645 HydrophobicContact CE2-CB 3.82Å; F624-F645 HydrophobicContact CE2-CD1 4.32Å; F624-F645 HydrophobicContact CE2-CD2 4.35Å; F624-F645 AromaticContact CE2-CG 3.92Å; F624-F645 HydrophobicContact CE2-CG 3.92Å; F624-F645 HydrophobicContact CG-CD1 4.17Å; F624-F645 HydrophobicContact CG-CD2 4.48Å; F624-F645 HydrophobicContact CG-CE1 4.16Å; F624-F645 HydrophobicContact CG-CE2 4.44Å; F624-F645 HydrophobicContact CG-CG 4.32Å; F624-F645 HydrophobicContact CG-CZ 4.28Å; F627-F645 HydrophobicContact CB-CE2 4.47Å; F627-F645 AromaticContact CD1-CD2 3.61Å; F627-F645 HydrophobicContact CD1-CD2 3.61Å; F627-F645 HydrophobicContact CD1-CE2 4.19Å; F627-F645 HydrophobicContact CE1-CD2 4.01Å; F627-F645 HydrophobicContact CG-CD2 4.35Å; I641-F645 PolarHBondContact O-N 3.37Å; F645-Q647 PolarHBondContact O-N 3.16Å; F645-F648 PolarHBondContact O-N 3.49Å; F645-D649 HydrophobicContact CD1-CB 3.79Å; F645-D649 HydrophobicContact CE1-CB 3.7Å; F645-D649 WeakPolarHBondContact CE1-OD2 3.3Å; F645-D649 WeakPolarHBondContact O-CB 3.35Å; F645-D649 PolarHBondContact O-N 3.05Å; F645-L656 HydrophobicContact CD2-CD1 3.72Å; F645-L656 HydrophobicContact CD2-CG 4.11Å; F645-L656 HydrophobicContact CE1-CG 4.43Å; F645-L656 HydrophobicContact CE2-CB 4.47Å; F645-L656 HydrophobicContact CE2-CD1 3.44Å; F645-L656 VanDerWaalsContact CE2-CD1 3.44Å; F645-L656 HydrophobicContact CE2-CG 3.52Å; F645-L656 HydrophobicContact CZ-CD1 4.17Å; F645-L656 HydrophobicContact CZ-CG 3.71Å
646	S	73.7	Confident	73.6	Confident	86 Å²	86	70.4 Å²	70.4	60%	0.601	37%	0.373	S	S	*	.	H	α-helix	trans	-66.4	-5.2	177.4	70.4	0	0	0	0	115.7	S642 A643	S642-S646 WeakPolarHBondContact O-CB 3.24Å; S642-S646 PolarHBondContact O-N 3.46Å; S642-S646 PolarHBondContact O-OG 2.76Å; S642-S646 VanDerWaalsContact O-OG 3.09Å; A643-S646 WeakPolarHBondContact CA-OG 3.34Å; A643-S646 PolarHBondContact O-N 2.98Å; A643-S646 PolarHBondContact O-OG 3.15Å
647	Q	74.3	Confident	73.4	Confident	124 Å²	124	72.4 Å²	72.4	58%	0.579	39%	0.385	S	S	*	.	H	α-helix	trans	-87.7	-22.4	171.4	-179.5	174	-17.4	0	0	111.9	A643 A644 F645	A643-Q647 PolarHBondContact O-N 3.33Å; A644-Q647 WeakPolarHBondContact O-CB 3.43Å; A644-Q647 PolarHBondContact O-N 3.23Å; F645-Q647 PolarHBondContact O-N 3.16Å
648	F	72.4	Confident	73.1	Confident	25 Å²	25	70.5 Å²	70.5	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-113.5	-35.9	-175.2	-65.7	-72	0	0	0	113.6	A644 F645 R650 L656 E660 M664 E667	A644-F648 VanDerWaalsContact O-CD2 3.28Å; A644-F648 WeakPolarHBondContact O-CD2 3.37Å; F645-F648 PolarHBondContact O-N 3.49Å; F648-R650 PolarHBondContact O-N 2.91Å; F648-L656 HydrophobicContact CB-CD2 3.86Å; F648-E660 VanDerWaalsContact O-OE1 3.13Å; F648-M664 HydrophobicContact CB-CB 4.45Å; F648-M664 HydrophobicContact CB-SD 4.17Å; F648-M664 HydrophobicContact CD1-CB 3.82Å; F648-M664 HydrophobicContact CD1-CG 4.08Å; F648-M664 HydrophobicContact CD2-CB 4.27Å; F648-M664 HydrophobicContact CD2-CE 3.76Å; F648-M664 HydrophobicContact CD2-CG 3.66Å; F648-M664 HydrophobicContact CD2-SD 3.65Å; F648-M664 HydrophobicContact CE1-CB 4.12Å; F648-M664 HydrophobicContact CE1-CG 4.21Å; F648-M664 HydrophobicContact CE2-CE 4.05Å; F648-M664 HydrophobicContact CE2-CG 3.81Å; F648-M664 HydrophobicContact CE2-SD 4.27Å; F648-M664 HydrophobicContact CG-CB 3.91Å; F648-M664 HydrophobicContact CG-CG 3.82Å; F648-M664 HydrophobicContact CG-SD 3.93Å; F648-M664 HydrophobicContact CZ-CB 4.49Å; F648-M664 HydrophobicContact CZ-CG 4.08Å; F648-E667 WeakPolarHBondContact CE1-OE2 3.45Å
649	D	76.6	Confident	73.2	Confident	25 Å²	25	72.8 Å²	72.8	13%	0.134	39%	0.394	C	S	.	.			trans	-62.7	111.2	165.1	172.9	-8.4	0	0	0	109	F645 G652 N653 Q654	F645-D649 HydrophobicContact CD1-CB 3.79Å; F645-D649 HydrophobicContact CE1-CB 3.7Å; F645-D649 WeakPolarHBondContact CE1-OD2 3.3Å; F645-D649 WeakPolarHBondContact O-CB 3.35Å; F645-D649 PolarHBondContact O-N 3.05Å; D649-G652 WeakPolarHBondContact OD1-CA 3.37Å; D649-G652 PolarHBondContact OD1-N 3.19Å; D649-N653 PolarHBondContact OD1-N 2.9Å; D649-Q654 WeakPolarHBondContact OD2-CA 3.32Å; D649-Q654 PolarHBondContact OD2-N 2.82Å; D649-Q654 VanDerWaalsContact OD2-N 3.14Å
650	R	68.5	Low	73.3	Confident	213 Å²	213	65.4 Å²	65.4	80%	0.804	36%	0.362	S	S	*	.			trans	-113.9	-19.3	-168.6	-165.2	175.6	175.8	-172.5	-1.6	114.6	F648 E660	F648-R650 PolarHBondContact O-N 2.91Å; R650-E660 WeakPolarHBondContact CB-OE1 3.28Å; R650-E660 PolarHBondContact N-OE1 3.01Å
651	D	71.9	Confident	73.4	Confident	112 Å²	112	62.6 Å²	62.6	60%	0.599	35%	0.349	S	S	*	.	S	Bend	trans	-95.6	-13.6	172.3	76.9	-10.9	0	0	0	112.9	N653	D651-N653 WeakPolarHBondContact OD1-CB 3.47Å; D651-N653 PolarHBondContact OD1-N 2.94Å; D651-N653 PolarHBondContact OD1-ND2 3.25Å; D651-N653 PolarHBondContact OD2-ND2 3.07Å
652	G	69.2	Low	73.5	Confident	55 Å²	55	65.9 Å²	65.9	57%	0.567	37%	0.369	S	S	*	.	S	Bend	trans	86.4	16.5	178.4	0	0	0	0	0	114.3	D649	D649-G652 WeakPolarHBondContact OD1-CA 3.37Å; D649-G652 PolarHBondContact OD1-N 3.19Å
653	N	75.5	Confident	73.7	Confident	73 Å²	73	68.8 Å²	68.8	39%	0.39	37%	0.372	S	S	.	.			trans	-80.7	-10.1	-171.9	74.7	26.9	0	0	0	114.8	D649 D651 V655	D649-N653 PolarHBondContact OD1-N 2.9Å; D651-N653 WeakPolarHBondContact OD1-CB 3.47Å; D651-N653 PolarHBondContact OD1-N 2.94Å; D651-N653 PolarHBondContact OD1-ND2 3.25Å; D651-N653 PolarHBondContact OD2-ND2 3.07Å; N653-V655 VanDerWaalsContact OD1-CA 3.32Å; N653-V655 WeakPolarHBondContact OD1-CA 3.17Å; N653-V655 WeakPolarHBondContact OD1-CB 3.44Å; N653-V655 PolarHBondContact OD1-N 2.85Å; N653-V655 PolarHBondContact OD1-O 2.91Å
654	Q	70.7	Confident	73.9	Confident	124 Å²	124	66.3 Å²	66.3	58%	0.579	35%	0.352	S	S	*	.	S	Bend	trans	69.2	21.8	-175.9	-52	-173.1	6.7	0	0	116.3	F624 D649	F624-Q654 HydrophobicContact CB-CB 4.19Å; F624-Q654 VanDerWaalsContact CB-O 3.31Å; F624-Q654 WeakPolarHBondContact CB-O 3.5Å; F624-Q654 PolarHBondContact N-O 3.31Å; D649-Q654 WeakPolarHBondContact OD2-CA 3.32Å; D649-Q654 PolarHBondContact OD2-N 2.82Å; D649-Q654 VanDerWaalsContact OD2-N 3.14Å
655	V	74.9	Confident	74.4	Confident	38 Å²	38	68.6 Å²	68.6	23%	0.23	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	113	-179.2	-174.5	0	0	0	0	109.4	E621 I622 E623 N653 D657	E621-V655 HydrophobicContact CB-CG1 3.86Å; I622-V655 WeakPolarHBondContact O-CA 3.31Å; E623-V655 HydrophobicContact CG-CG2 4.29Å; N653-V655 VanDerWaalsContact OD1-CA 3.32Å; N653-V655 WeakPolarHBondContact OD1-CA 3.17Å; N653-V655 WeakPolarHBondContact OD1-CB 3.44Å; N653-V655 PolarHBondContact OD1-N 2.85Å; N653-V655 PolarHBondContact OD1-O 2.91Å; V655-D657 PolarHBondContact O-N 3.42Å; V655-D657 VanDerWaalsContact O-N 3.14Å
656	L	72.6	Confident	74.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	114.1	178.8	-77.3	165.9	0	0	0	110.1	I622 F645 F648 E660 Q661 M664	I622-L656 PolarHBondContact O-N 2.8Å; F645-L656 HydrophobicContact CD2-CD1 3.72Å; F645-L656 HydrophobicContact CD2-CG 4.11Å; F645-L656 HydrophobicContact CE1-CG 4.43Å; F645-L656 HydrophobicContact CE2-CB 4.47Å; F645-L656 HydrophobicContact CE2-CD1 3.44Å; F645-L656 VanDerWaalsContact CE2-CD1 3.44Å; F645-L656 HydrophobicContact CE2-CG 3.52Å; F645-L656 HydrophobicContact CZ-CD1 4.17Å; F645-L656 HydrophobicContact CZ-CG 3.71Å; F648-L656 HydrophobicContact CB-CD2 3.86Å; L656-E660 HydrophobicContact CD2-CB 3.9Å; L656-Q661 HydrophobicContact CB-CG 3.86Å; L656-Q661 PolarHBondContact O-NE2 2.9Å; L656-M664 HydrophobicContact CD1-SD 4.03Å
657	D	74	Confident	75.3	Confident	61 Å²	61	71.9 Å²	71.9	33%	0.326	36%	0.362	S	S	.	.			trans	-71.6	169	176.4	87.1	17.7	0	0	0	112.3	V655 D659 E660 Q661	V655-D657 PolarHBondContact O-N 3.42Å; V655-D657 VanDerWaalsContact O-N 3.14Å; D657-D659 PolarHBondContact O-N 2.91Å; D657-D659 WeakPolarHBondContact OD1-CA 3.47Å; D657-D659 VanDerWaalsContact OD1-CB 3.3Å; D657-D659 WeakPolarHBondContact OD1-CB 3.33Å; D657-D659 PolarHBondContact OD1-N 2.77Å; D657-E660 PolarHBondContact O-N 3.14Å; D657-E660 PolarHBondContact OD1-N 3.23Å; D657-Q661 WeakPolarHBondContact O-CB 3.46Å; D657-Q661 VanDerWaalsContact O-CG 3.27Å; D657-Q661 WeakPolarHBondContact O-CG 3.35Å; D657-Q661 PolarHBondContact O-N 3.33Å
658	V	73.7	Confident	75.7	Confident	88 Å²	88	66.6 Å²	66.6	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-31.5	-176	179.9	0	0	0	0	112.5	T662	V658-T662 VanDerWaalsContact O-CB 3.25Å; V658-T662 WeakPolarHBondContact O-CB 3.34Å; V658-T662 PolarHBondContact O-N 3Å; V658-T662 PolarHBondContact O-OG1 2.85Å
659	D	74.4	Confident	76.2	Confident	104 Å²	104	68.6 Å²	68.6	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-77.9	-37.2	179	-96.2	12.1	0	0	0	111.3	D657 R663	D657-D659 PolarHBondContact O-N 2.91Å; D657-D659 WeakPolarHBondContact OD1-CA 3.47Å; D657-D659 VanDerWaalsContact OD1-CB 3.3Å; D657-D659 WeakPolarHBondContact OD1-CB 3.33Å; D657-D659 PolarHBondContact OD1-N 2.77Å; D659-R663 WeakPolarHBondContact O-CB 3.44Å; D659-R663 VanDerWaalsContact O-CG 3.29Å; D659-R663 WeakPolarHBondContact O-CG 3.41Å; D659-R663 PolarHBondContact O-N 2.84Å; D659-R663 PolarHBondContact O-NE 2.96Å; D659-R663 IonicContact OD2-NH1 3.45Å
660	E	77.8	Confident	76.6	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.033	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-47.1	172.5	-71.3	-175.5	163.3	0	0	111.7	F648 R650 L656 D657 T662 R663 M664	F648-E660 VanDerWaalsContact O-OE1 3.13Å; R650-E660 WeakPolarHBondContact CB-OE1 3.28Å; R650-E660 PolarHBondContact N-OE1 3.01Å; L656-E660 HydrophobicContact CD2-CB 3.9Å; D657-E660 PolarHBondContact O-N 3.14Å; D657-E660 PolarHBondContact OD1-N 3.23Å; E660-T662 VanDerWaalsContact C-N 3.3Å; E660-T662 PolarHBondContact O-N 3.45Å; E660-R663 PolarHBondContact O-N 3.21Å; E660-M664 VanDerWaalsContact O-CB 3.26Å; E660-M664 WeakPolarHBondContact O-CB 3.48Å; E660-M664 PolarHBondContact O-N 3.41Å
661	Q	73.6	Confident	77.3	Confident	30 Å²	30	67.5 Å²	67.5	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-56.9	-44.2	171.9	-70.7	-179.8	35.6	0	0	111.4	G620 L656 D657 M664 K665	G620-Q661 PolarHBondContact O-NE2 2.93Å; L656-Q661 HydrophobicContact CB-CG 3.86Å; L656-Q661 PolarHBondContact O-NE2 2.9Å; D657-Q661 WeakPolarHBondContact O-CB 3.46Å; D657-Q661 VanDerWaalsContact O-CG 3.27Å; D657-Q661 WeakPolarHBondContact O-CG 3.35Å; D657-Q661 PolarHBondContact O-N 3.33Å; Q661-M664 PolarHBondContact O-N 3.28Å; Q661-K665 VanDerWaalsContact O-CB 3.25Å; Q661-K665 WeakPolarHBondContact O-CB 3.31Å; Q661-K665 PolarHBondContact O-N 3.07Å
662	T	76.5	Confident	77.8	Confident	72 Å²	72	65.2 Å²	65.2	44%	0.442	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-43.5	179.4	-61.3	0	0	0	0	111.6	V658 E660 K665 I666	V658-T662 VanDerWaalsContact O-CB 3.25Å; V658-T662 WeakPolarHBondContact O-CB 3.34Å; V658-T662 PolarHBondContact O-N 3Å; V658-T662 PolarHBondContact O-OG1 2.85Å; E660-T662 VanDerWaalsContact C-N 3.3Å; E660-T662 PolarHBondContact O-N 3.45Å; T662-K665 PolarHBondContact O-N 3.3Å; T662-I666 HydrophobicContact CG2-CD1 4.05Å; T662-I666 WeakPolarHBondContact O-CD1 3.48Å; T662-I666 VanDerWaalsContact O-CG1 3.31Å; T662-I666 WeakPolarHBondContact O-CG1 3.39Å; T662-I666 PolarHBondContact O-N 2.88Å; T662-I666 VanDerWaalsContact O-N 3.1Å
663	R	78.9	Confident	78.5	Confident	112 Å²	112	66.3 Å²	66.3	42%	0.423	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-48.9	173.6	-75.9	-177.9	-69.1	-97.9	5.5	112	D659 E660 K665 I666 E667	D659-R663 WeakPolarHBondContact O-CB 3.44Å; D659-R663 VanDerWaalsContact O-CG 3.29Å; D659-R663 WeakPolarHBondContact O-CG 3.41Å; D659-R663 PolarHBondContact O-N 2.84Å; D659-R663 PolarHBondContact O-NE 2.96Å; D659-R663 IonicContact OD2-NH1 3.45Å; E660-R663 PolarHBondContact O-N 3.21Å; R663-K665 VanDerWaalsContact C-N 3.33Å; R663-K665 PolarHBondContact O-N 3.05Å; R663-I666 PolarHBondContact O-N 2.62Å; R663-E667 PolarHBondContact O-N 3.02Å
664	M	79.9	Confident	79	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-43.1	179.9	-175.4	175	-174.3	0	0	111.3	V611 L615 F627 F648 L656 E660 Q661 E667 L668	V611-M664 HydrophobicContact CG1-CE 3.85Å; L615-M664 HydrophobicContact CD1-CE 4.49Å; L615-M664 HydrophobicContact CD1-CG 4.16Å; L615-M664 HydrophobicContact CD1-SD 4.16Å; L615-M664 HydrophobicContact CD2-SD 4.46Å; F627-M664 HydrophobicContact CE1-CE 4.45Å; F627-M664 HydrophobicContact CZ-CE 3.87Å; F648-M664 HydrophobicContact CB-CB 4.45Å; F648-M664 HydrophobicContact CB-SD 4.17Å; F648-M664 HydrophobicContact CD1-CB 3.82Å; F648-M664 HydrophobicContact CD1-CG 4.08Å; F648-M664 HydrophobicContact CD2-CB 4.27Å; F648-M664 HydrophobicContact CD2-CE 3.76Å; F648-M664 HydrophobicContact CD2-CG 3.66Å; F648-M664 HydrophobicContact CD2-SD 3.65Å; F648-M664 HydrophobicContact CE1-CB 4.12Å; F648-M664 HydrophobicContact CE1-CG 4.21Å; F648-M664 HydrophobicContact CE2-CE 4.05Å; F648-M664 HydrophobicContact CE2-CG 3.81Å; F648-M664 HydrophobicContact CE2-SD 4.27Å; F648-M664 HydrophobicContact CG-CB 3.91Å; F648-M664 HydrophobicContact CG-CG 3.82Å; F648-M664 HydrophobicContact CG-SD 3.93Å; F648-M664 HydrophobicContact CZ-CB 4.49Å; F648-M664 HydrophobicContact CZ-CG 4.08Å; L656-M664 HydrophobicContact CD1-SD 4.03Å; E660-M664 VanDerWaalsContact O-CB 3.26Å; E660-M664 WeakPolarHBondContact O-CB 3.48Å; E660-M664 PolarHBondContact O-N 3.41Å; Q661-M664 PolarHBondContact O-N 3.28Å; M664-E667 PolarHBondContact O-N 3.47Å; M664-L668 HydrophobicContact CE-CD1 4.23Å; M664-L668 HydrophobicContact CG-CD1 3.85Å; M664-L668 HydrophobicContact CG-CG 4.48Å; M664-L668 WeakPolarHBondContact O-CB 3.24Å; M664-L668 WeakPolarHBondContact O-CD1 3.41Å; M664-L668 WeakPolarHBondContact O-CG 3.33Å; M664-L668 PolarHBondContact O-N 2.69Å
665	K	80.4	Confident	79.6	Confident	85 Å²	85	60.7 Å²	60.7	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-45.5	176.7	-176.3	172.7	-179.4	173.9	0	112.5	Q661 T662 R663 L668 E669	Q661-K665 VanDerWaalsContact O-CB 3.25Å; Q661-K665 WeakPolarHBondContact O-CB 3.31Å; Q661-K665 PolarHBondContact O-N 3.07Å; T662-K665 PolarHBondContact O-N 3.3Å; R663-K665 VanDerWaalsContact C-N 3.33Å; R663-K665 PolarHBondContact O-N 3.05Å; K665-L668 PolarHBondContact O-N 3.3Å; K665-E669 WeakPolarHBondContact CE-OE1 3.49Å; K665-E669 WeakPolarHBondContact CG-OE1 2.95Å; K665-E669 WeakPolarHBondContact O-CB 3.38Å; K665-E669 WeakPolarHBondContact O-CG 3.38Å; K665-E669 PolarHBondContact O-N 3.13Å
666	I	82.4	Confident	80	Confident	91 Å²	91	60.5 Å²	60.5	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-49	177	-68.2	164.7	0	0	0	110.6	T662 R663 L668 E669 E670	T662-I666 HydrophobicContact CG2-CD1 4.05Å; T662-I666 WeakPolarHBondContact O-CD1 3.48Å; T662-I666 VanDerWaalsContact O-CG1 3.31Å; T662-I666 WeakPolarHBondContact O-CG1 3.39Å; T662-I666 PolarHBondContact O-N 2.88Å; T662-I666 VanDerWaalsContact O-N 3.1Å; R663-I666 PolarHBondContact O-N 2.62Å; I666-L668 VanDerWaalsContact C-N 3.29Å; I666-L668 PolarHBondContact O-N 3.46Å; I666-E669 PolarHBondContact O-N 3.29Å; I666-E670 WeakPolarHBondContact O-CG 3.14Å; I666-E670 PolarHBondContact O-N 3.28Å
667	E	82.7	Confident	80.5	Confident	68 Å²	68	62.8 Å²	62.8	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-31.6	-178.9	-164.7	-176.4	145.2	0	0	112.4	F648 R663 M664 K671	F648-E667 WeakPolarHBondContact CE1-OE2 3.45Å; R663-E667 PolarHBondContact O-N 3.02Å; M664-E667 PolarHBondContact O-N 3.47Å; E667-K671 HydrophobicContact CG-CD 4.47Å; E667-K671 WeakPolarHBondContact O-CB 3.16Å; E667-K671 WeakPolarHBondContact O-CD 3.33Å; E667-K671 WeakPolarHBondContact O-CG 3.41Å; E667-K671 PolarHBondContact O-N 3.24Å; E667-K671 VanDerWaalsContact O-N 3.17Å; E667-K671 VanDerWaalsContact OE1-CE 3.26Å; E667-K671 WeakPolarHBondContact OE1-CE 3.17Å; E667-K671 IonicContact OE1-NZ 3.99Å; E667-K671 PolarHBondContact OE1-NZ 3.48Å
668	L	82.8	Confident	80.8	Confident	14 Å²	14	64.4 Å²	64.4	7%	0.073	33%	0.33	C	S	.	.	H	α-helix	trans	-72.7	-40.5	172.8	-71.7	168.9	0	0	0	112.3	I608 V611 L615 M664 K665 I666 K671 R672	I608-L668 HydrophobicContact CG1-CD2 4.29Å; I608-L668 HydrophobicContact CG2-CB 4.32Å; I608-L668 HydrophobicContact CG2-CD2 4.09Å; V611-L668 HydrophobicContact CB-CD1 4.37Å; V611-L668 HydrophobicContact CG1-CD1 3.55Å; L615-L668 HydrophobicContact CD1-CD1 3.85Å; M664-L668 HydrophobicContact CE-CD1 4.23Å; M664-L668 HydrophobicContact CG-CD1 3.85Å; M664-L668 HydrophobicContact CG-CG 4.48Å; M664-L668 WeakPolarHBondContact O-CB 3.24Å; M664-L668 WeakPolarHBondContact O-CD1 3.41Å; M664-L668 WeakPolarHBondContact O-CG 3.33Å; M664-L668 PolarHBondContact O-N 2.69Å; K665-L668 PolarHBondContact O-N 3.3Å; I666-L668 VanDerWaalsContact C-N 3.29Å; I666-L668 PolarHBondContact O-N 3.46Å; L668-K671 PolarHBondContact O-N 3.04Å; L668-R672 WeakPolarHBondContact O-CB 3.4Å; L668-R672 PolarHBondContact O-N 2.98Å
669	E	82.6	Confident	81.1	Confident	66 Å²	66	61.4 Å²	61.4	31%	0.308	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-44.6	176.3	-78.7	173.5	-166.5	0	0	111.5	Q612 K665 I666 K671 R672 D673	Q612-E669 PolarHBondContact NE2-OE1 2.76Å; K665-E669 WeakPolarHBondContact CE-OE1 3.49Å; K665-E669 WeakPolarHBondContact CG-OE1 2.95Å; K665-E669 WeakPolarHBondContact O-CB 3.38Å; K665-E669 WeakPolarHBondContact O-CG 3.38Å; K665-E669 PolarHBondContact O-N 3.13Å; I666-E669 PolarHBondContact O-N 3.29Å; E669-K671 PolarHBondContact O-N 3.2Å; E669-R672 PolarHBondContact O-N 2.76Å; E669-D673 WeakPolarHBondContact O-CB 3.47Å; E669-D673 PolarHBondContact O-N 2.99Å
670	E	84.8	Confident	81.3	Confident	135 Å²	135	61.4 Å²	61.4	63%	0.631	31%	0.311	S	S	*	.	H	α-helix	trans	-57.9	-48.1	172.5	-73.1	-173.7	168.7	0	0	112.2	I666 R672 D673 A674	I666-E670 WeakPolarHBondContact O-CG 3.14Å; I666-E670 PolarHBondContact O-N 3.28Å; E670-R672 PolarHBondContact O-N 3.37Å; E670-D673 PolarHBondContact O-N 3.43Å; E670-A674 WeakPolarHBondContact O-CB 3.43Å; E670-A674 PolarHBondContact O-N 2.96Å
671	K	83.1	Confident	81.3	Confident	80 Å²	80	65.8 Å²	65.8	35%	0.348	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-40.3	177.5	-74.8	168.2	-173.6	164.3	0	112.5	I608 E667 L668 E669 L675	I608-K671 HydrophobicContact CD1-CB 4.16Å; E667-K671 HydrophobicContact CG-CD 4.47Å; E667-K671 WeakPolarHBondContact O-CB 3.16Å; E667-K671 WeakPolarHBondContact O-CD 3.33Å; E667-K671 WeakPolarHBondContact O-CG 3.41Å; E667-K671 PolarHBondContact O-N 3.24Å; E667-K671 VanDerWaalsContact O-N 3.17Å; E667-K671 VanDerWaalsContact OE1-CE 3.26Å; E667-K671 WeakPolarHBondContact OE1-CE 3.17Å; E667-K671 IonicContact OE1-NZ 3.99Å; E667-K671 PolarHBondContact OE1-NZ 3.48Å; L668-K671 PolarHBondContact O-N 3.04Å; E669-K671 PolarHBondContact O-N 3.2Å; K671-L675 WeakPolarHBondContact O-CB 3.5Å; K671-L675 WeakPolarHBondContact O-CG 3.38Å; K671-L675 PolarHBondContact O-N 3.14Å
672	R	83.9	Confident	81.2	Confident	65 Å²	65	66.2 Å²	66.2	25%	0.245	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-41.2	179.1	-168	-160.8	72.6	-177	-0.4	111.1	K605 I608 L668 E669 E670 L675 N676	K605-R672 HydrophobicContact CG-CG 4.46Å; I608-R672 HydrophobicContact CG2-CB 3.84Å; I608-R672 HydrophobicContact CG2-CG 4.22Å; L668-R672 WeakPolarHBondContact O-CB 3.4Å; L668-R672 PolarHBondContact O-N 2.98Å; E669-R672 PolarHBondContact O-N 2.76Å; E670-R672 PolarHBondContact O-N 3.37Å; R672-L675 PolarHBondContact O-N 3.22Å; R672-N676 PolarHBondContact O-N 2.88Å; R672-N676 PolarHBondContact O-ND2 3.47Å
673	D	84.2	Confident	80.5	Confident	77 Å²	77	64.3 Å²	64.3	41%	0.412	33%	0.333	S	S	.	.	H	α-helix	trans	-82.7	-28.3	-176.2	-71.5	-3.3	0	0	0	112.3	E669 E670 N676 A677	E669-D673 WeakPolarHBondContact O-CB 3.47Å; E669-D673 PolarHBondContact O-N 2.99Å; E670-D673 PolarHBondContact O-N 3.43Å; D673-N676 WeakPolarHBondContact O-CB 3.35Å; D673-N676 PolarHBondContact O-N 2.84Å; D673-N676 PolarHBondContact OD1-ND2 3.08Å; D673-A677 PolarHBondContact O-N 2.93Å
674	A	84.8	Confident	79.5	Confident	60 Å²	60	67.4 Å²	67.4	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-45.6	162.1	0	0	0	0	0	112.2	E670 N676 A677 E678	E670-A674 WeakPolarHBondContact O-CB 3.43Å; E670-A674 PolarHBondContact O-N 2.96Å; A674-N676 PolarHBondContact O-N 2.91Å; A674-A677 PolarHBondContact O-N 2.82Å; A674-E678 PolarHBondContact O-N 3.05Å
675	L	84.2	Confident	78.2	Confident	19 Å²	19	72.2 Å²	72.2	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-63.2	-37.2	173.8	-85.3	162.9	0	0	0	112.6	L601 K604 I608 K671 R672 L679	L601-L675 HydrophobicContact CB-CD2 4.32Å; L601-L675 HydrophobicContact CD2-CD2 3.76Å; K604-L675 HydrophobicContact CB-CD1 4.11Å; K604-L675 HydrophobicContact CB-CD2 4.37Å; I608-L675 HydrophobicContact CD1-CD1 3.59Å; K671-L675 WeakPolarHBondContact O-CB 3.5Å; K671-L675 WeakPolarHBondContact O-CG 3.38Å; K671-L675 PolarHBondContact O-N 3.14Å; R672-L675 PolarHBondContact O-N 3.22Å; L675-L679 WeakPolarHBondContact O-CB 3.33Å; L675-L679 PolarHBondContact O-N 2.94Å
676	N	81.9	Confident	76.7	Confident	35 Å²	35	72.1 Å²	72.1	19%	0.187	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-45.1	171.3	-84.5	-41.2	0	0	0	111.3	K605 R672 D673 A674 L679 N680	K605-N676 VanDerWaalsContact CE-OD1 3.25Å; K605-N676 WeakPolarHBondContact CE-OD1 3.45Å; K605-N676 PolarHBondContact NZ-OD1 3.09Å; R672-N676 PolarHBondContact O-N 2.88Å; R672-N676 PolarHBondContact O-ND2 3.47Å; D673-N676 WeakPolarHBondContact O-CB 3.35Å; D673-N676 PolarHBondContact O-N 2.84Å; D673-N676 PolarHBondContact OD1-ND2 3.08Å; A674-N676 PolarHBondContact O-N 2.91Å; N676-L679 PolarHBondContact O-N 2.98Å; N676-N680 WeakPolarHBondContact O-CB 3.2Å; N676-N680 PolarHBondContact O-N 2.88Å; N676-N680 PolarHBondContact O-ND2 2.86Å; N676-N680 VanDerWaalsContact O-ND2 3.14Å
677	A	83.5	Confident	74.8	Confident	48 Å²	48	70.8 Å²	70.8	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-45.5	178.8	0	0	0	0	0	111.8	D673 A674 N681	D673-A677 PolarHBondContact O-N 2.93Å; A674-A677 PolarHBondContact O-N 2.82Å; A677-N681 VanDerWaalsContact O-CB 3.32Å; A677-N681 WeakPolarHBondContact O-CB 3.44Å; A677-N681 PolarHBondContact O-N 3.25Å; A677-N681 PolarHBondContact O-ND2 2.93Å
678	E	81.7	Confident	72.8	Confident	94 Å²	94	74.6 Å²	74.6	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-61.5	-47.5	175.8	-170.3	180	-165	0	0	111.7	L601 A674 N681 L682	L601-E678 HydrophobicContact CD1-CG 3.99Å; L601-E678 WeakPolarHBondContact CD2-OE2 3.45Å; A674-E678 PolarHBondContact O-N 3.05Å; E678-N681 PolarHBondContact O-N 3.4Å; E678-L682 PolarHBondContact O-N 3.44Å
679	L	80	Confident	70.6	Confident	25 Å²	25	81.6 Å²	81.6	13%	0.131	42%	0.424	C	S	.	.	H	α-helix	trans	-69.4	-34.5	-177.8	-168.8	140.7	0	0	0	112.7	F598 L601 K602 L675 N676 G683	F598-L679 HydrophobicContact CD2-CD1 4.39Å; F598-L679 HydrophobicContact CD2-CG 4.06Å; F598-L679 HydrophobicContact CE2-CD1 4.14Å; F598-L679 HydrophobicContact CE2-CD2 3.71Å; F598-L679 HydrophobicContact CE2-CG 3.59Å; F598-L679 HydrophobicContact CZ-CD1 4.41Å; F598-L679 HydrophobicContact CZ-CD2 3.92Å; F598-L679 HydrophobicContact CZ-CG 4.16Å; L601-L679 HydrophobicContact CB-CD1 4.17Å; K602-L679 HydrophobicContact CB-CD1 4.11Å; L675-L679 WeakPolarHBondContact O-CB 3.33Å; L675-L679 PolarHBondContact O-N 2.94Å; N676-L679 PolarHBondContact O-N 2.98Å; L679-G683 PolarHBondContact O-N 3.38Å
680	N	77.1	Confident	68	Low	104 Å²	104	86.3 Å²	86.3	56%	0.556	44%	0.444	S	S	*	.	H	α-helix	trans	-68.6	-41.8	171.3	-76	-28.5	0	0	0	111.9	N676 G683 R684	N676-N680 WeakPolarHBondContact O-CB 3.2Å; N676-N680 PolarHBondContact O-N 2.88Å; N676-N680 PolarHBondContact O-ND2 2.86Å; N676-N680 VanDerWaalsContact O-ND2 3.14Å; N680-G683 PolarHBondContact O-N 2.79Å; N680-R684 WeakPolarHBondContact O-CB 3.21Å; N680-R684 PolarHBondContact O-N 2.97Å
681	N	78.5	Confident	65.4	Low	100 Å²	100	84.8 Å²	84.8	54%	0.535	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-39.1	176.6	-76.2	-26.7	0	0	0	111.8	A677 E678 N685	A677-N681 VanDerWaalsContact O-CB 3.32Å; A677-N681 WeakPolarHBondContact O-CB 3.44Å; A677-N681 PolarHBondContact O-N 3.25Å; A677-N681 PolarHBondContact O-ND2 2.93Å; E678-N681 PolarHBondContact O-N 3.4Å; N681-N685 PolarHBondContact O-N 3.24Å; N681-N685 PolarHBondContact O-ND2 3.37Å
682	L	71.2	Confident	62.9	Low	38 Å²	38	88.5 Å²	88.5	20%	0.199	46%	0.464	C	S	.	.	H	α-helix	trans	-56.2	-63.5	167.3	-112.2	77.7	0	0	0	110.4	Y594 F598 L601 E678 R684 N685 Y686	Y594-L682 HydrophobicContact CE2-CB 4.45Å; Y594-L682 HydrophobicContact CE2-CD2 3.88Å; Y594-L682 HydrophobicContact CE2-CG 3.76Å; Y594-L682 WeakPolarHBondContact OH-CA 3.21Å; Y594-L682 VanDerWaalsContact OH-CB 3.28Å; Y594-L682 WeakPolarHBondContact OH-CB 3.34Å; Y594-L682 PolarHBondContact OH-O 3.49Å; F598-L682 HydrophobicContact CB-CD2 4.19Å; F598-L682 HydrophobicContact CD2-CB 4.45Å; F598-L682 HydrophobicContact CD2-CD2 4.16Å; L601-L682 HydrophobicContact CD1-CD2 4.3Å; E678-L682 PolarHBondContact O-N 3.44Å; L682-R684 PolarHBondContact O-N 2.94Å; L682-R684 VanDerWaalsContact O-N 3.11Å; L682-N685 PolarHBondContact O-N 2.93Å; L682-Y686 PolarHBondContact O-N 3.45Å; L682-Y686 VanDerWaalsContact O-N 3.14Å
683	G	63	Low	60.1	Low	33 Å²	33	92.7 Å²	92.7	34%	0.34	49%	0.491	S	S	.	.	H	α-helix	trans	-55.3	-35.8	-174	0	0	0	0	0	113.6	L679 N680 Y686 G687	L679-G683 PolarHBondContact O-N 3.38Å; N680-G683 PolarHBondContact O-N 2.79Å; G683-Y686 PolarHBondContact O-N 2.88Å; G683-G687 PolarHBondContact O-N 3.21Å
684	R	57.3	Low	57.5	Low	176 Å²	176	99.4 Å²	99.4	66%	0.664	51%	0.511	S	S	*	.	H	α-helix	trans	-73.6	-21.8	178.5	-162	176	-165.5	-174.2	4.9	114.1	N680 L682 K688	N680-R684 WeakPolarHBondContact O-CB 3.21Å; N680-R684 PolarHBondContact O-N 2.97Å; L682-R684 PolarHBondContact O-N 2.94Å; L682-R684 VanDerWaalsContact O-N 3.11Å; R684-K688 WeakPolarHBondContact O-CB 3.11Å; R684-K688 WeakPolarHBondContact O-CD 3.08Å; R684-K688 VanDerWaalsContact O-CG 3.24Å; R684-K688 WeakPolarHBondContact O-CG 3.18Å
685	N	52.4	Low	54.7	Low	103 Å²	103	101.8 Å²	101.8	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-79.8	-47.4	170.3	-71.1	-14.1	0	0	0	110.6	N681 L682 G687 K688 E689	N681-N685 PolarHBondContact O-N 3.24Å; N681-N685 PolarHBondContact O-ND2 3.37Å; L682-N685 PolarHBondContact O-N 2.93Å; N685-G687 VanDerWaalsContact C-N 3.25Å; N685-G687 PolarHBondContact O-N 2.55Å; N685-K688 PolarHBondContact O-N 2.93Å; N685-E689 PolarHBondContact O-N 3.15Å
686	Y	47.8	Very low	52.2	Low	84 Å²	84	105.7 Å²	105.7	33%	0.329	56%	0.559	S	S	.	*	H	α-helix	trans	-60.8	-34.7	177.1	-164.8	-87.1	0	0	0	112.5	Y594 M595 L682 G683 K688	Y594-Y686 AromaticContact CD1-CD2 3.64Å; Y594-Y686 HydrophobicContact CD1-CD2 3.64Å; Y594-Y686 AromaticContact CD1-CE2 3.99Å; Y594-Y686 HydrophobicContact CD1-CE2 3.99Å; Y594-Y686 HydrophobicContact CD1-CG 4.47Å; Y594-Y686 AromaticContact CE1-CD2 3.44Å; Y594-Y686 HydrophobicContact CE1-CD2 3.44Å; Y594-Y686 VanDerWaalsContact CE1-CD2 3.44Å; Y594-Y686 HydrophobicContact CE1-CE2 4.18Å; Y594-Y686 AromaticContact CE1-CG 3.85Å; Y594-Y686 HydrophobicContact CE1-CG 3.85Å; Y594-Y686 HydrophobicContact CG-CD2 4.29Å; Y594-Y686 AromaticContact CZ-CD2 3.94Å; M595-Y686 HydrophobicContact CE-CE1 4.14Å; M595-Y686 HydrophobicContact CE-CE2 4.29Å; L682-Y686 PolarHBondContact O-N 3.45Å; L682-Y686 VanDerWaalsContact O-N 3.14Å; G683-Y686 PolarHBondContact O-N 2.88Å; Y686-K688 VanDerWaalsContact C-N 3.28Å; Y686-K688 PolarHBondContact O-N 3.45Å
687	G	42.6	Very low	49.6	Very low	62 Å²	62	108.8 Å²	108.8	64%	0.639	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	4.5	172.8	0	0	0	0	0	115.8	G683 N685	G683-G687 PolarHBondContact O-N 3.21Å; N685-G687 VanDerWaalsContact C-N 3.25Å; N685-G687 PolarHBondContact O-N 2.55Å
688	K	40.4	Very low	46.9	Very low	148 Å²	148	113.3 Å²	113.3	64%	0.643	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-21.4	179.9	-91.2	-176.2	171.4	-168.2	0	114.7	R684 N685 Y686 F690	R684-K688 WeakPolarHBondContact O-CB 3.11Å; R684-K688 WeakPolarHBondContact O-CD 3.08Å; R684-K688 VanDerWaalsContact O-CG 3.24Å; R684-K688 WeakPolarHBondContact O-CG 3.18Å; N685-K688 PolarHBondContact O-N 2.93Å; Y686-K688 VanDerWaalsContact C-N 3.28Å; Y686-K688 PolarHBondContact O-N 3.45Å; K688-F690 PolarHBondContact O-N 2.83Å
689	E	37.3	Very low	44.3	Very low	162 Å²	162	116.1 Å²	116.1	76%	0.757	62%	0.619	S	S	*	*	S	Bend	trans	-75.5	-5.8	179.6	-68.3	-173.6	139.1	0	0	113.7	N685	N685-E689 PolarHBondContact O-N 3.15Å
690	F	28.2	Very low	41.9	Very low	164 Å²	164	121.5 Å²	121.5	72%	0.719	64%	0.644	S	S	*	*			trans	-118	107.5	169.8	-76.6	-87.3	0	0	0	111.4	K688	K688-F690 PolarHBondContact O-N 2.83Å
691	P	30.2	Very low	39.7	Very low	104 Å²	104	124.5 Å²	124.5	68%	0.675	65%	0.652	S	S	*	*			trans	-69.1	128	159.6	-11.4	27.2	0	0	0	109.5	N693	P691-N693 PolarHBondContact O-N 2.94Å
692	E	30.3	Very low	37.3	Very low	158 Å²	158	124.9 Å²	124.9	74%	0.738	66%	0.662	S	S	*	*			trans	-73.7	64.4	167.6	-84.9	-153.8	105.3	0	0	111.5	R694	E692-R694 IonicContact OE1-CZ 3.99Å; E692-R694 IonicContact OE1-NE 3.68Å; E692-R694 IonicContact OE1-NH2 3.38Å; E692-R694 PolarHBondContact OE1-NH2 3.3Å
693	N	25.4	Very low	35.3	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	70%	0.698	S	S	*	*			trans	-91.6	96.6	163.5	-96.7	-1.6	0	0	0	109.2	P691	P691-N693 PolarHBondContact O-N 2.94Å
694	R	28.8	Very low	33.6	Very low	218 Å²	218	136.8 Å²	136.8	82%	0.823	72%	0.715	S	S	*	*			trans	-87.5	113.9	172.2	-66.4	-174.3	-172.2	-162.6	2	110.9	E692	E692-R694 IonicContact OE1-CZ 3.99Å; E692-R694 IonicContact OE1-NE 3.68Å; E692-R694 IonicContact OE1-NH2 3.38Å; E692-R694 PolarHBondContact OE1-NH2 3.3Å
695	S	27.1	Very low	32.4	Very low	111 Å²	111	139 Å²	139	78%	0.776	73%	0.73	S	S	*	*			trans	-150	134.1	162.8	54.5	0	0	0	0	109.5
696	A	32.3	Very low	31.7	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	73%	0.733	S	S	*	*			trans	-7.6	140.7	175.5	0	0	0	0	0	118.7
697	S	27.3	Very low	31.4	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	74%	0.738	S	S	*	*				-162.7	-174.9	57.9	45.2	0	0	0	0	114.5
698	D	26.3	Very low	31.3	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	74%	0.742	S	S	*	*			trans	74.7	82.2	158.5	-54.9	-19.6	0	0	0	119.8
699	D	27.7	Very low	31.5	Very low	154 Å²	154	141 Å²	141	82%	0.824	74%	0.744	S	S	*	*				21.4	144.1	122.6	-85.7	-55.6	0	0	0	124.3
700	E	29.1	Very low	32	Very low	137 Å²	137	139 Å²	139	64%	0.64	74%	0.735	S	S	*	*			trans	68.6	125.8	149.3	-73.5	-139.3	95.5	0	0	123.6
701	K	30.8	Very low	32.7	Very low	168 Å²	168	138.2 Å²	138.2	73%	0.73	73%	0.732	S	S	*	*			trans	73.7	119.9	152.9	-65.2	152.4	-179.7	143.7	0	117.3
702	S	27.7	Very low	33.5	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	72%	0.722	S	S	*	*			cis	-160.8	152.3	0.2	69.5	0	0	0	0	115.4
703	R	29.6	Very low	34.4	Very low	254 Å²	254	132.9 Å²	132.9	96%	0.958	71%	0.707	S	S	*	*			trans	49.9	98	154.9	-71.9	-177.3	170	170.7	-2.1	119.6
704	G	27.2	Very low	35.5	Very low	68 Å²	68	131 Å²	131	70%	0.701	70%	0.696	S	S	*	*			trans	-141.5	145.5	147.6	0	0	0	0	0	109.6
705	F	32.4	Very low	36.3	Very low	221 Å²	221	123.8 Å²	123.8	97%	0.969	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-69	129.3	-177	-115.7	-104.1	0	0	0	111.4
706	V	36.6	Very low	37.5	Very low	102 Å²	102	126.7 Å²	126.7	62%	0.618	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-90.7	133	170.8	177.9	0	0	0	0	109.2	Q710	V706-Q710 HydrophobicContact CG1-CB 4.31Å
707	A	41.1	Very low	38.6	Very low	52 Å²	52	130.7 Å²	130.7	43%	0.43	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-69	136.4	179.5	0	0	0	0	0	111.7	D709 Q710	A707-D709 VanDerWaalsContact C-N 3.26Å; A707-D709 PolarHBondContact O-N 2.82Å; A707-Q710 HydrophobicContact CB-CG 4.46Å; A707-Q710 WeakPolarHBondContact O-CB 3.41Å; A707-Q710 PolarHBondContact O-N 3.35Å
708	Q	42	Very low	39.9	Very low	157 Å²	157	130.1 Å²	130.1	73%	0.734	66%	0.659	S	S	*	*	H	α-helix	trans	-63.3	-28.7	-169.7	-166	157.1	-27.2	0	0	113.7	Q710 F711 L712	Q708-Q710 VanDerWaalsContact C-N 3.34Å; Q708-Q710 PolarHBondContact O-N 3.4Å; Q708-F711 PolarHBondContact O-N 3.03Å; Q708-L712 PolarHBondContact O-N 3.15Å; Q708-L712 VanDerWaalsContact O-N 3.1Å
709	D	45.1	Very low	41.1	Very low	128 Å²	128	128.3 Å²	128.3	68%	0.684	65%	0.649	S	S	*	*	H	α-helix	trans	-66.3	-33.3	174.4	-57.2	-56	0	0	0	112.9	A707 L712 S713	A707-D709 VanDerWaalsContact C-N 3.26Å; A707-D709 PolarHBondContact O-N 2.82Å; D709-L712 PolarHBondContact O-N 2.91Å; D709-S713 WeakPolarHBondContact O-CB 3.47Å; D709-S713 PolarHBondContact O-N 2.84Å
710	Q	47.1	Very low	42.6	Very low	122 Å²	122	126.9 Å²	126.9	57%	0.57	64%	0.637	S	S	*	*	H	α-helix	trans	-66.6	-42.8	176.2	-65	-176.2	-8.2	0	0	110.3	V706 A707 Q708 S713 L714	V706-Q710 HydrophobicContact CG1-CB 4.31Å; A707-Q710 HydrophobicContact CB-CG 4.46Å; A707-Q710 WeakPolarHBondContact O-CB 3.41Å; A707-Q710 PolarHBondContact O-N 3.35Å; Q708-Q710 VanDerWaalsContact C-N 3.34Å; Q708-Q710 PolarHBondContact O-N 3.4Å; Q710-S713 PolarHBondContact O-N 3.06Å; Q710-S713 PolarHBondContact O-OG 2.72Å; Q710-L714 PolarHBondContact O-N 2.68Å
711	F	43.1	Very low	44.1	Very low	146 Å²	146	126.9 Å²	126.9	64%	0.64	64%	0.639	S	S	*	*	H	α-helix	trans	-61.1	-45.2	175.5	-176.9	-96.6	0	0	0	112.2	Q708 S713 L714 S715	Q708-F711 PolarHBondContact O-N 3.03Å; F711-S713 VanDerWaalsContact C-N 3.32Å; F711-S713 PolarHBondContact O-N 2.82Å; F711-L714 PolarHBondContact O-N 2.79Å; F711-S715 WeakPolarHBondContact O-CB 3.02Å; F711-S715 PolarHBondContact O-N 3.43Å
712	L	47.4	Very low	45.5	Very low	91 Å²	91	124.9 Å²	124.9	48%	0.476	63%	0.632	S	S	.	*	H	α-helix	trans	-62.7	-36.2	174.8	-80.7	163.4	0	0	0	112.7	Q708 D709 R716	Q708-L712 PolarHBondContact O-N 3.15Å; Q708-L712 VanDerWaalsContact O-N 3.1Å; D709-L712 PolarHBondContact O-N 2.91Å; L712-R716 WeakPolarHBondContact O-CB 3.14Å; L712-R716 PolarHBondContact O-N 3.38Å
713	S	48.8	Very low	47	Very low	60 Å²	60	123.9 Å²	123.9	42%	0.42	62%	0.621	S	S	.	*	H	α-helix	trans	-68.8	-38.4	175.2	82.7	0	0	0	0	112.7	D709 Q710 F711 R717	D709-S713 WeakPolarHBondContact O-CB 3.47Å; D709-S713 PolarHBondContact O-N 2.84Å; Q710-S713 PolarHBondContact O-N 3.06Å; Q710-S713 PolarHBondContact O-OG 2.72Å; F711-S713 VanDerWaalsContact C-N 3.32Å; F711-S713 PolarHBondContact O-N 2.82Å; S713-R717 PolarHBondContact O-N 3.15Å
714	L	47.8	Very low	48.6	Very low	113 Å²	113	115 Å²	115	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-69.8	-48.7	178.5	-127.8	78.2	0	0	0	111	Q710 F711 R716 R717 V718	Q710-L714 PolarHBondContact O-N 2.68Å; F711-L714 PolarHBondContact O-N 2.79Å; L714-R716 VanDerWaalsContact C-N 3.28Å; L714-R716 PolarHBondContact O-N 2.77Å; L714-R717 PolarHBondContact O-N 3.01Å; L714-R717 VanDerWaalsContact O-N 3.07Å; L714-V718 WeakPolarHBondContact O-CG2 3.44Å; L714-V718 PolarHBondContact O-N 2.99Å
715	S	45.4	Very low	50.6	Low	66 Å²	66	115.5 Å²	115.5	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-56	-42.8	177.6	174	0	0	0	0	111.7	F711 R717 V718 L719	F711-S715 WeakPolarHBondContact O-CB 3.02Å; F711-S715 PolarHBondContact O-N 3.43Å; S715-R717 PolarHBondContact O-N 2.95Å; S715-V718 PolarHBondContact O-N 2.89Å; S715-L719 WeakPolarHBondContact O-CB 3.13Å; S715-L719 PolarHBondContact O-N 2.86Å
716	R	53.1	Low	52.1	Low	172 Å²	172	107.6 Å²	107.6	65%	0.649	56%	0.563	S	S	*	*	H	α-helix	trans	-65.5	-36.7	176.9	-162	179.6	-58.6	170	4.1	112.8	L712 L714 Q720	L712-R716 WeakPolarHBondContact O-CB 3.14Å; L712-R716 PolarHBondContact O-N 3.38Å; L714-R716 VanDerWaalsContact C-N 3.28Å; L714-R716 PolarHBondContact O-N 2.77Å; R716-Q720 WeakPolarHBondContact O-CG 3.18Å; R716-Q720 PolarHBondContact O-N 2.88Å
717	R	54.9	Low	53.4	Low	184 Å²	184	105.1 Å²	105.1	69%	0.694	55%	0.553	S	S	*	*	H	α-helix	trans	-70	-41.1	174.2	-80.2	-179.3	165.2	-174.7	-4.5	112.5	S713 L714 S715 Q720 M721	S713-R717 PolarHBondContact O-N 3.15Å; L714-R717 PolarHBondContact O-N 3.01Å; L714-R717 VanDerWaalsContact O-N 3.07Å; S715-R717 PolarHBondContact O-N 2.95Å; R717-Q720 PolarHBondContact O-N 3.13Å; R717-M721 WeakPolarHBondContact O-CB 3.4Å; R717-M721 PolarHBondContact O-N 3.28Å
718	V	54.3	Low	54.8	Low	88 Å²	88	108.1 Å²	108.1	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-61	-45.8	175.3	172.1	0	0	0	0	110.3	L714 S715 Q720 M721 E722	L714-V718 WeakPolarHBondContact O-CG2 3.44Å; L714-V718 PolarHBondContact O-N 2.99Å; S715-V718 PolarHBondContact O-N 2.89Å; V718-Q720 VanDerWaalsContact C-N 3.34Å; V718-Q720 PolarHBondContact O-N 3.26Å; V718-M721 CarbonylContact O-C 3.6Å; V718-M721 WeakPolarHBondContact O-CB 3.5Å; V718-M721 PolarHBondContact O-N 2.96Å; V718-E722 WeakPolarHBondContact O-CB 3.41Å; V718-E722 PolarHBondContact O-N 2.63Å
719	L	52.3	Low	55.8	Low	105 Å²	105	104 Å²	104	55%	0.55	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-39.9	177.5	-164.2	74.9	0	0	0	112.5	S715 T723	S715-L719 WeakPolarHBondContact O-CB 3.13Å; S715-L719 PolarHBondContact O-N 2.86Å; L719-T723 WeakPolarHBondContact O-CG2 3.44Å; L719-T723 PolarHBondContact O-N 2.7Å; L719-T723 PolarHBondContact O-OG1 2.99Å; L719-T723 VanDerWaalsContact O-OG1 3.09Å
720	Q	58.2	Low	56.9	Low	124 Å²	124	100.9 Å²	100.9	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-64.6	-38.6	172.8	-74.6	-176.7	-57	0	0	112.3	R716 R717 V718 T723 S724	R716-Q720 WeakPolarHBondContact O-CG 3.18Å; R716-Q720 PolarHBondContact O-N 2.88Å; R717-Q720 PolarHBondContact O-N 3.13Å; V718-Q720 VanDerWaalsContact C-N 3.34Å; V718-Q720 PolarHBondContact O-N 3.26Å; Q720-T723 PolarHBondContact O-OG1 2.9Å; Q720-S724 WeakPolarHBondContact O-CB 3.43Å; Q720-S724 PolarHBondContact O-N 3.5Å; Q720-S724 PolarHBondContact O-OG 2.04Å
721	M	61.6	Low	58.1	Low	136 Å²	136	103.7 Å²	103.7	67%	0.67	54%	0.541	S	S	*	.	H	α-helix	trans	-69.5	-41.6	178	-163.8	167.7	-178.1	0	0	111.7	R717 V718 S724 V725	R717-M721 WeakPolarHBondContact O-CB 3.4Å; R717-M721 PolarHBondContact O-N 3.28Å; V718-M721 CarbonylContact O-C 3.6Å; V718-M721 WeakPolarHBondContact O-CB 3.5Å; V718-M721 PolarHBondContact O-N 2.96Å; M721-S724 WeakPolarHBondContact O-CB 3.34Å; M721-S724 PolarHBondContact O-N 3.19Å; M721-S724 VanDerWaalsContact O-N 3.16Å; M721-V725 WeakPolarHBondContact O-CG2 3.36Å; M721-V725 PolarHBondContact O-N 3.32Å
722	E	59.5	Low	59.3	Low	126 Å²	126	103.1 Å²	103.1	59%	0.589	54%	0.542	S	S	*	.	H	α-helix	trans	-61.5	-47.4	175.6	-173.8	173.1	-144.9	0	0	111.8	V718 S724 V725 A726	V718-E722 WeakPolarHBondContact O-CB 3.41Å; V718-E722 PolarHBondContact O-N 2.63Å; E722-S724 VanDerWaalsContact C-N 3.27Å; E722-S724 PolarHBondContact O-N 2.82Å; E722-V725 PolarHBondContact O-N 3.06Å; E722-A726 PolarHBondContact O-N 3.46Å
723	T	59.9	Low	60.2	Low	86 Å²	86	103.1 Å²	103.1	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-63.8	-30.9	173	54.9	0	0	0	0	113.3	L719 Q720 A727	L719-T723 WeakPolarHBondContact O-CG2 3.44Å; L719-T723 PolarHBondContact O-N 2.7Å; L719-T723 PolarHBondContact O-OG1 2.99Å; L719-T723 VanDerWaalsContact O-OG1 3.09Å; Q720-T723 PolarHBondContact O-OG1 2.9Å; T723-A727 WeakPolarHBondContact O-CB 3.45Å; T723-A727 PolarHBondContact O-N 3.19Å; T723-A727 VanDerWaalsContact O-N 3.13Å
724	S	63.4	Low	61.3	Low	67 Å²	67	105.5 Å²	105.5	47%	0.469	55%	0.55	S	S	.	.	H	α-helix	trans	-72.4	-38.8	175.5	-58.4	0	0	0	0	111.9	Q720 M721 E722 A727 L728	Q720-S724 WeakPolarHBondContact O-CB 3.43Å; Q720-S724 PolarHBondContact O-N 3.5Å; Q720-S724 PolarHBondContact O-OG 2.04Å; M721-S724 WeakPolarHBondContact O-CB 3.34Å; M721-S724 PolarHBondContact O-N 3.19Å; M721-S724 VanDerWaalsContact O-N 3.16Å; E722-S724 VanDerWaalsContact C-N 3.27Å; E722-S724 PolarHBondContact O-N 2.82Å; S724-A727 PolarHBondContact O-N 3.22Å; S724-L728 WeakPolarHBondContact O-CG 3.29Å; S724-L728 PolarHBondContact O-N 2.95Å; S724-L728 VanDerWaalsContact O-N 3.15Å
725	V	68.9	Low	62.5	Low	79 Å²	79	105 Å²	105	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-43.3	175.1	170.1	0	0	0	0	110.8	M721 E722 A727 L728 T729	M721-V725 WeakPolarHBondContact O-CG2 3.36Å; M721-V725 PolarHBondContact O-N 3.32Å; E722-V725 PolarHBondContact O-N 3.06Å; V725-A727 VanDerWaalsContact C-N 3.27Å; V725-A727 PolarHBondContact O-N 2.82Å; V725-L728 WeakPolarHBondContact O-CA 3.21Å; V725-L728 WeakPolarHBondContact O-CB 3.43Å; V725-L728 PolarHBondContact O-N 3.06Å; V725-T729 PolarHBondContact O-N 3.05Å; V725-T729 PolarHBondContact O-OG1 2.95Å
726	A	62.6	Low	63.4	Low	56 Å²	56	107.6 Å²	107.6	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-61.2	-34.2	174.6	0	0	0	0	0	112.9	E722 L728 T729 S730	E722-A726 PolarHBondContact O-N 3.46Å; A726-L728 VanDerWaalsContact C-N 3.3Å; A726-T729 PolarHBondContact O-OG1 3.06Å; A726-S730 WeakPolarHBondContact O-CB 3.26Å; A726-S730 PolarHBondContact O-N 3.46Å; A726-S730 PolarHBondContact O-OG 3.1Å
727	A	65.5	Low	64.4	Low	50 Å²	50	105.7 Å²	105.7	41%	0.413	55%	0.551	S	S	.	*	H	α-helix	trans	-74	-16.5	173.3	0	0	0	0	0	114	T723 S724 V725 R731	T723-A727 WeakPolarHBondContact O-CB 3.45Å; T723-A727 PolarHBondContact O-N 3.19Å; T723-A727 VanDerWaalsContact O-N 3.13Å; S724-A727 PolarHBondContact O-N 3.22Å; V725-A727 VanDerWaalsContact C-N 3.27Å; V725-A727 PolarHBondContact O-N 2.82Å; A727-R731 WeakPolarHBondContact O-CD 3.39Å; A727-R731 VanDerWaalsContact O-CG 3.31Å; A727-R731 WeakPolarHBondContact O-CG 3.34Å
728	L	69	Low	64.9	Low	115 Å²	115	103.8 Å²	103.8	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-90.9	-43.4	174.7	-74	168.1	0	0	0	112	S724 V725 A726 R731 M732	S724-L728 WeakPolarHBondContact O-CG 3.29Å; S724-L728 PolarHBondContact O-N 2.95Å; S724-L728 VanDerWaalsContact O-N 3.15Å; V725-L728 WeakPolarHBondContact O-CA 3.21Å; V725-L728 WeakPolarHBondContact O-CB 3.43Å; V725-L728 PolarHBondContact O-N 3.06Å; A726-L728 VanDerWaalsContact C-N 3.3Å; L728-R731 PolarHBondContact O-N 2.93Å; L728-M732 PolarHBondContact O-N 3.05Å
729	T	64.2	Low	65.3	Low	70 Å²	70	104.8 Å²	104.8	43%	0.429	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-49.6	176	49.1	0	0	0	0	111.3	V725 A726 R731 M732 D733	V725-T729 PolarHBondContact O-N 3.05Å; V725-T729 PolarHBondContact O-OG1 2.95Å; A726-T729 PolarHBondContact O-OG1 3.06Å; T729-R731 PolarHBondContact O-N 3.46Å; T729-R731 VanDerWaalsContact O-N 3.08Å; T729-M732 CarbonylContact O-C 3.4Å; T729-M732 WeakPolarHBondContact O-CA 3.28Å; T729-M732 WeakPolarHBondContact O-CB 2.86Å; T729-M732 PolarHBondContact O-N 2.6Å; T729-D733 PolarHBondContact O-N 3.18Å
730	S	67.4	Low	65.5	Low	63 Å²	63	101.9 Å²	101.9	44%	0.441	55%	0.545	S	S	.	.	H	α-helix	trans	-59	-24	175.8	54.5	0	0	0	0	114.4	A726 L734	A726-S730 WeakPolarHBondContact O-CB 3.26Å; A726-S730 PolarHBondContact O-N 3.46Å; A726-S730 PolarHBondContact O-OG 3.1Å; S730-L734 WeakPolarHBondContact O-CB 3.38Å
731	R	72.3	Confident	65.2	Low	181 Å²	181	101.7 Å²	101.7	68%	0.683	55%	0.548	S	S	*	.	H	α-helix	trans	-81.5	-36	170.1	-75.5	-179.8	178.6	-135.1	0.1	112.8	A727 L728 T729 I735	A727-R731 WeakPolarHBondContact O-CD 3.39Å; A727-R731 VanDerWaalsContact O-CG 3.31Å; A727-R731 WeakPolarHBondContact O-CG 3.34Å; L728-R731 PolarHBondContact O-N 2.93Å; T729-R731 PolarHBondContact O-N 3.46Å; T729-R731 VanDerWaalsContact O-N 3.08Å; R731-I735 WeakPolarHBondContact O-CD1 3.4Å; R731-I735 VanDerWaalsContact O-CG1 3.23Å; R731-I735 WeakPolarHBondContact O-CG1 3.49Å; R731-I735 PolarHBondContact O-N 3.14Å
732	M	68	Low	64.7	Low	133 Å²	133	101.8 Å²	101.8	66%	0.655	55%	0.548	S	S	*	.	H	α-helix	trans	-64.2	-43	173.2	-98.7	-176.9	158.6	0	0	112	L728 T729 L734 I735 M736	L728-M732 PolarHBondContact O-N 3.05Å; T729-M732 CarbonylContact O-C 3.4Å; T729-M732 WeakPolarHBondContact O-CA 3.28Å; T729-M732 WeakPolarHBondContact O-CB 2.86Å; T729-M732 PolarHBondContact O-N 2.6Å; M732-L734 PolarHBondContact O-N 3.39Å; M732-I735 PolarHBondContact O-N 3.49Å; M732-I735 VanDerWaalsContact O-N 3.17Å; M732-M736 PolarHBondContact O-N 2.9Å
733	D	66.1	Low	64	Low	91 Å²	91	98.4 Å²	98.4	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-61.7	-45.3	178.2	-62	-36.6	0	0	0	111.1	T729 I735 M736 E737	T729-D733 PolarHBondContact O-N 3.18Å; D733-I735 VanDerWaalsContact C-N 3.28Å; D733-I735 PolarHBondContact O-N 3.5Å; D733-M736 PolarHBondContact O-N 3.25Å; D733-M736 VanDerWaalsContact O-N 3.15Å; D733-E737 PolarHBondContact O-N 3.03Å
734	L	72.7	Confident	63.3	Low	111 Å²	111	101.3 Å²	101.3	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-28.9	176.9	-154.6	159.7	0	0	0	112.2	S730 M732 K738	S730-L734 WeakPolarHBondContact O-CB 3.38Å; M732-L734 PolarHBondContact O-N 3.39Å; L734-K738 WeakPolarHBondContact O-CB 3.26Å; L734-K738 PolarHBondContact O-N 3.36Å
735	I	72.6	Confident	62.5	Low	102 Å²	102	104.8 Å²	104.8	52%	0.523	57%	0.573	S	S	.	*	H	α-helix	trans	-74.2	-41.8	171	-71	165.5	0	0	0	111.2	R731 M732 D733 K738 L739	R731-I735 WeakPolarHBondContact O-CD1 3.4Å; R731-I735 VanDerWaalsContact O-CG1 3.23Å; R731-I735 WeakPolarHBondContact O-CG1 3.49Å; R731-I735 PolarHBondContact O-N 3.14Å; M732-I735 PolarHBondContact O-N 3.49Å; M732-I735 VanDerWaalsContact O-N 3.17Å; D733-I735 VanDerWaalsContact C-N 3.28Å; D733-I735 PolarHBondContact O-N 3.5Å; I735-K738 PolarHBondContact O-N 3.35Å; I735-L739 HydrophobicContact CG2-CD1 3.93Å; I735-L739 WeakPolarHBondContact O-CG 3.16Å; I735-L739 PolarHBondContact O-N 2.65Å
736	M	65.9	Low	61.4	Low	120 Å²	120	106.4 Å²	106.4	59%	0.591	58%	0.582	S	S	*	*	H	α-helix	trans	-63.4	-44.2	176.1	-89.2	-167.3	-70.2	0	0	112.2	M732 D733 K738 L739 G740	M732-M736 PolarHBondContact O-N 2.9Å; D733-M736 PolarHBondContact O-N 3.25Å; D733-M736 VanDerWaalsContact O-N 3.15Å; M736-K738 VanDerWaalsContact C-N 3.29Å; M736-K738 PolarHBondContact O-N 2.7Å; M736-L739 PolarHBondContact O-N 3.04Å; M736-G740 PolarHBondContact O-N 3Å
737	E	72.1	Confident	60.2	Low	132 Å²	132	109.2 Å²	109.2	62%	0.617	60%	0.599	S	S	*	*	H	α-helix	trans	-57.4	-44.6	174.9	-175.4	178	-155.6	0	0	110.9	D733 L739 G740 L741	D733-E737 PolarHBondContact O-N 3.03Å; E737-L739 VanDerWaalsContact C-N 3.35Å; E737-L739 PolarHBondContact O-N 3.38Å; E737-G740 PolarHBondContact O-N 3.42Å; E737-L741 HydrophobicContact CG-CD1 4.41Å; E737-L741 WeakPolarHBondContact O-CG 3.39Å; E737-L741 PolarHBondContact O-N 3.49Å
738	K	66.6	Low	59	Low	144 Å²	144	113.4 Å²	113.4	63%	0.626	61%	0.613	S	S	*	*	H	α-helix	trans	-68.7	-30	179.6	-155.4	175.1	-169.9	-179.3	0	113.6	L734 I735 M736	L734-K738 WeakPolarHBondContact O-CB 3.26Å; L734-K738 PolarHBondContact O-N 3.36Å; I735-K738 PolarHBondContact O-N 3.35Å; M736-K738 VanDerWaalsContact C-N 3.29Å; M736-K738 PolarHBondContact O-N 2.7Å
739	L	62.2	Low	57.6	Low	110 Å²	110	117.2 Å²	117.2	58%	0.576	63%	0.628	S	S	*	*	H	α-helix	trans	-76.1	-40.8	172.3	-74.5	167	0	0	0	111.9	I735 M736 E737 L741 M742 G743	I735-L739 HydrophobicContact CG2-CD1 3.93Å; I735-L739 WeakPolarHBondContact O-CG 3.16Å; I735-L739 PolarHBondContact O-N 2.65Å; M736-L739 PolarHBondContact O-N 3.04Å; E737-L739 VanDerWaalsContact C-N 3.35Å; E737-L739 PolarHBondContact O-N 3.38Å; L739-L741 VanDerWaalsContact C-N 3.3Å; L739-L741 PolarHBondContact O-N 3.32Å; L739-M742 WeakPolarHBondContact O-CB 3.43Å; L739-M742 PolarHBondContact O-N 2.8Å; L739-G743 PolarHBondContact O-N 3.48Å
740	G	56.6	Low	56.5	Low	44 Å²	44	121.1 Å²	121.1	45%	0.454	64%	0.644	S	S	.	*	H	α-helix	trans	-59.5	-40	175.2	0	0	0	0	0	112.5	M736 E737 M742 G743	M736-G740 PolarHBondContact O-N 3Å; E737-G740 PolarHBondContact O-N 3.42Å; G740-M742 PolarHBondContact O-N 3.3Å; G740-G743 PolarHBondContact O-N 3.45Å
741	L	52.4	Low	54.9	Low	120 Å²	120	127.1 Å²	127.1	63%	0.628	67%	0.665	S	S	*	*	H	α-helix	trans	-65.8	-21.6	174.1	-72.6	168.8	0	0	0	114.1	E737 L739	E737-L741 HydrophobicContact CG-CD1 4.41Å; E737-L741 WeakPolarHBondContact O-CG 3.39Å; E737-L741 PolarHBondContact O-N 3.49Å; L739-L741 VanDerWaalsContact C-N 3.3Å; L739-L741 PolarHBondContact O-N 3.32Å
742	M	50.8	Low	54.1	Low	137 Å²	137	123.8 Å²	123.8	68%	0.675	67%	0.667	S	S	*	*	H	α-helix	trans	-82.7	-29.4	172.9	-74.5	-175.6	160.6	0	0	112.9	L739 G740 N744	L739-M742 WeakPolarHBondContact O-CB 3.43Å; L739-M742 PolarHBondContact O-N 2.8Å; G740-M742 PolarHBondContact O-N 3.3Å; M742-N744 VanDerWaalsContact C-N 3.34Å; M742-N744 PolarHBondContact O-N 3.04Å
743	G	45	Very low	52.6	Low	55 Å²	55	129.1 Å²	129.1	57%	0.567	70%	0.698	S	S	*	*	H	α-helix	trans	-64.7	-32.1	-177.1	0	0	0	0	0	114.7	L739 G740 N745	L739-G743 PolarHBondContact O-N 3.48Å; G740-G743 PolarHBondContact O-N 3.45Å; G743-N745 VanDerWaalsContact C-N 3.33Å; G743-N745 PolarHBondContact O-N 2.65Å
744	N	46.1	Very low	51.9	Low	147 Å²	147	131.1 Å²	131.1	79%	0.786	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-4.8	-173.4	-73.9	-12.6	0	0	0	115.3	M742	M742-N744 VanDerWaalsContact C-N 3.34Å; M742-N744 PolarHBondContact O-N 3.04Å
745	N	44.9	Very low	50.8	Low	141 Å²	141	132.1 Å²	132.1	75%	0.754	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	7.4	-174.7	-85.3	-8	0	0	0	114.8	G743	G743-N745 VanDerWaalsContact C-N 3.33Å; G743-N745 PolarHBondContact O-N 2.65Å
746	V	47.5	Very low	49.6	Very low	112 Å²	112	133.8 Å²	133.8	68%	0.679	73%	0.726	S	S	*	*			trans	-120.7	67.3	-178.2	-167.2	0	0	0	0	111.3	I748	V746-I748 PolarHBondContact O-N 2.66Å
747	S	37.1	Very low	48.6	Very low	115 Å²	115	134.6 Å²	134.6	80%	0.804	73%	0.734	S	S	*	*			trans	-75.3	110.8	165.6	56.2	0	0	0	0	110
748	I	40.4	Very low	47.2	Very low	139 Å²	139	134.8 Å²	134.8	71%	0.713	74%	0.742	S	S	*	*			trans	-76.3	126	-175.2	-58.4	172.3	0	0	0	110.3	V746 I750	V746-I748 PolarHBondContact O-N 2.66Å; I748-I750 HydrophobicContact CG2-CG1 3.85Å
749	Q	39.3	Very low	45.9	Very low	195 Å²	195	134.1 Å²	134.1	91%	0.911	75%	0.749	S	S	*	*			trans	-78.2	130	158.6	-74.1	-176	-93.6	0	0	109
750	I	41.1	Very low	44.7	Very low	152 Å²	152	135.9 Å²	135.9	78%	0.779	76%	0.762	S	S	*	*			trans	-116.5	124.9	170.3	-56.5	178.5	0	0	0	106.8	I748	I748-I750 HydrophobicContact CG2-CG1 3.85Å
751	E	34.2	Very low	43.8	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	79%	0.786	S	S	*	*			trans	-117.9	133.5	172	-166.2	160.7	-125.6	0	0	107.1
752	P	54.9	Low	43.1	Very low	111 Å²	111	144.8 Å²	144.8	72%	0.721	80%	0.799	S	S	*	*			trans	-98.8	146.1	-167.8	36.6	-34.1	0	0	0	114.1
753	D	36	Very low	42.4	Very low	246 Å²	246	145.5 Å²	145.5	100%	1.316	81%	0.81	S	S	*	*			trans	-157.1	0	140.1	-98.2	-26.9	0	0	0	108.5

Retrieved 753 of 753 residues in 1704.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).