A0A096MNF4_PAPAN Loading...

DNA (cytosine-5)-methyltransferase 3A

AlphaFold DB (A0A2K5YZZ7), UniProt , Accession A0A096MNF4, Species PAPAN (Papio anubis, Olive baboon), Gene DNMT3A, Length 723 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	33.1	Very low	251 Å²	251	182.8 Å²	182.8	100%	1.236	89%	0.891	S	S	*	*				0	106.1	0	-71.8	-78.2	-97.3	0	0	107.1
2	G	34.5	Very low	33.3	Very low	60 Å²	60	173.6 Å²	173.6	62%	0.619	88%	0.878	S	S	*	*			cis	173.2	125.6	5.7	0	0	0	0	0	103.8
3	I	35.7	Very low	33.9	Very low	162 Å²	162	179.1 Å²	179.1	83%	0.831	88%	0.882	S	S	*	*				64.1	131.4	91.4	-63.7	175.1	0	0	0	113.3
4	L	32.6	Very low	34.3	Very low	158 Å²	158	175.5 Å²	175.5	83%	0.827	88%	0.875	S	S	*	*			trans	102.3	134.8	156.4	-116.9	73.5	0	0	0	118.8
5	E	29.6	Very low	34.9	Very low	182 Å²	182	173.2 Å²	173.2	85%	0.85	87%	0.867	S	S	*	*			trans	89.7	68.9	170.8	-59.5	-167.5	157.8	0	0	119.4
6	R	32.6	Very low	35.2	Very low	252 Å²	252	176.5 Å²	176.5	95%	0.951	87%	0.866	S	S	*	*			trans	-139.4	73.1	149.3	-84.1	-169.5	-177.5	171.9	2	111.3
7	V	34.9	Very low	35.7	Very low	139 Å²	139	170.6 Å²	170.6	84%	0.842	85%	0.846	S	S	*	*			trans	-142.8	144.3	160.8	-176.9	0	0	0	0	106.7
8	V	30.9	Very low	36.1	Very low	138 Å²	138	167.4 Å²	167.4	84%	0.836	83%	0.832	S	S	*	*			trans	100.1	59.2	-176.8	-164.4	0	0	0	0	114.6
9	R	30.5	Very low	36.3	Very low	243 Å²	243	167.2 Å²	167.2	92%	0.917	83%	0.826	S	S	*	*			trans	-152.5	93.6	145.3	-80.9	-163.2	-176.1	169	1.2	109.7
10	R	30.6	Very low	36.5	Very low	248 Å²	248	164.5 Å²	164.5	94%	0.936	82%	0.815	S	S	*	*			trans	170	75.2	149	-98	170.3	176	176.6	-0.5	109.9
11	N	33	Very low	36.9	Very low	178 Å²	178	162.7 Å²	162.7	95%	0.952	80%	0.804	S	S	*	*			trans	-111.7	118.3	163.7	-94	-3.8	0	0	0	108.3
12	G	36.5	Very low	37	Very low	72 Å²	72	154.6 Å²	154.6	74%	0.742	77%	0.771	S	S	*	*			trans	170.9	69.8	178	0	0	0	0	0	112.3
13	R	40.3	Very low	37.3	Very low	245 Å²	245	156 Å²	156	93%	0.925	77%	0.765	S	S	*	*	S	Bend	trans	144.4	76.6	156.3	-84.9	177.4	175.2	-179.1	-0.5	112.1
14	V	39.9	Very low	37.8	Very low	129 Å²	129	152.1 Å²	152.1	78%	0.782	75%	0.748	S	S	*	*			trans	-155.3	93.6	153.7	-175.1	0	0	0	0	107.1
15	D	43.5	Very low	38.4	Very low	141 Å²	141	147.4 Å²	147.4	75%	0.754	73%	0.733	S	S	*	*			trans	-160	54.2	167.4	-143.3	1.6	0	0	0	114
16	R	38.8	Very low	39.1	Very low	226 Å²	226	144.8 Å²	144.8	85%	0.853	72%	0.72	S	S	*	*	S	Bend	trans	-135.8	-9.1	167.8	-82.8	-168.9	178.7	-166.5	-1.5	114.8
17	S	45	Very low	39.5	Very low	76 Å²	76	140.4 Å²	140.4	53%	0.531	71%	0.708	S	S	.	*	H	α-helix	trans	-90.4	-25.4	-177.4	-162.6	0	0	0	0	113.9
18	L	42.7	Very low	40.1	Very low	114 Å²	114	140.7 Å²	140.7	60%	0.597	70%	0.698	S	S	*	*	H	α-helix	trans	-81.4	-17	-174.6	-70.7	166.3	0	0	0	113.4
19	K	39.3	Very low	40.6	Very low	162 Å²	162	137.1 Å²	137.1	70%	0.704	68%	0.683	S	S	*	*	H	α-helix	trans	-82.9	-35.5	179.8	-144.7	168.4	-175.3	174.8	0	112.1	D23	K19-D23 PolarHBondContact O-N 3.43Å
20	D	40.7	Very low	41.1	Very low	113 Å²	113	133.4 Å²	133.4	60%	0.604	67%	0.674	S	S	*	*	H	α-helix	trans	-74	-29.2	176.7	-72.6	-16.4	0	0	0	112.5	T24	D20-T24 PolarHBondContact O-N 2.85Å; D20-T24 PolarHBondContact O-OG1 2.88Å
21	E	45.1	Very low	41.7	Very low	128 Å²	128	126.3 Å²	126.3	60%	0.598	66%	0.657	S	S	*	*	H	α-helix	trans	-72.7	-31.6	175.1	-75.8	-178.3	158.5	0	0	112.9	A25	E21-A25 PolarHBondContact O-N 3.46Å
22	C	40.4	Very low	42.2	Very low	80 Å²	80	123.4 Å²	123.4	54%	0.541	64%	0.64	S	S	.	*	H	α-helix	trans	-73.3	-42.7	178	-161.3	0	0	0	0	112.1	T24 A25 E26	C22-T24 VanDerWaalsContact C-N 3.29Å; C22-T24 PolarHBondContact O-N 2.95Å; C22-A25 PolarHBondContact O-N 3.31Å; C22-E26 PolarHBondContact O-N 2.8Å
23	D	40.8	Very low	42.3	Very low	90 Å²	90	123.6 Å²	123.6	48%	0.481	64%	0.635	S	S	.	*	H	α-helix	trans	-69.2	-26	179	-76.8	-9.7	0	0	0	113	K19 K27	K19-D23 PolarHBondContact O-N 3.43Å; D23-K27 PolarHBondContact O-N 3.12Å
24	T	46.2	Very low	42.2	Very low	80 Å²	80	114.5 Å²	114.5	49%	0.491	62%	0.618	S	S	.	*	H	α-helix	trans	-79.4	-29.3	176.2	-49.2	0	0	0	0	111.7	D20 C22 K28	D20-T24 PolarHBondContact O-N 2.85Å; D20-T24 PolarHBondContact O-OG1 2.88Å; C22-T24 VanDerWaalsContact C-N 3.29Å; C22-T24 PolarHBondContact O-N 2.95Å; T24-K28 PolarHBondContact O-N 3.04Å
25	A	44.2	Very low	42.1	Very low	60 Å²	60	115.6 Å²	115.6	50%	0.496	62%	0.616	S	S	.	*	H	α-helix	trans	-73.5	-39.8	175.3	0	0	0	0	0	112.4	E21 C22 K27 K28 A29	E21-A25 PolarHBondContact O-N 3.46Å; C22-A25 PolarHBondContact O-N 3.31Å; A25-K27 PolarHBondContact O-N 3.3Å; A25-K28 PolarHBondContact O-N 3.38Å; A25-A29 PolarHBondContact O-N 2.98Å; A25-A29 VanDerWaalsContact O-N 3.12Å
26	E	44.5	Very low	41.6	Very low	126 Å²	126	115.8 Å²	115.8	59%	0.589	62%	0.617	S	S	*	*	H	α-helix	trans	-67.3	-33.4	175.8	-83.1	-164.9	147.4	0	0	113.4	C22 K30	C22-E26 PolarHBondContact O-N 2.8Å; E26-K30 PolarHBondContact O-N 2.9Å
27	K	42.2	Very low	41.4	Very low	160 Å²	160	109 Å²	109	70%	0.696	61%	0.609	S	S	*	*	H	α-helix	trans	-71.5	-31.2	175.5	-78.9	176.6	179.4	169.7	0	113	D23 A25	D23-K27 PolarHBondContact O-N 3.12Å; A25-K27 PolarHBondContact O-N 3.3Å
28	K	46.6	Very low	41	Very low	145 Å²	145	111.2 Å²	111.2	63%	0.63	62%	0.62	S	S	*	*	H	α-helix	trans	-75.6	-32.8	174.7	-76.3	-178.1	176.8	-179.1	0	112.7	T24 A25 V31 I32	T24-K28 PolarHBondContact O-N 3.04Å; A25-K28 PolarHBondContact O-N 3.38Å; K28-V31 PolarHBondContact O-N 3.4Å; K28-I32 WeakPolarHBondContact O-CG1 3.44Å
29	A	42.9	Very low	40.5	Very low	63 Å²	63	115 Å²	115	52%	0.521	63%	0.634	S	S	.	*	H	α-helix	trans	-67.6	-32.8	176.2	0	0	0	0	0	113.4	A25 A33	A25-A29 PolarHBondContact O-N 2.98Å; A25-A29 VanDerWaalsContact O-N 3.12Å; A29-A33 PolarHBondContact O-N 2.78Å
30	K	39.6	Very low	40	Very low	166 Å²	166	116.2 Å²	116.2	72%	0.722	64%	0.642	S	S	*	*	H	α-helix	trans	-76	-22.4	178.8	-79.2	177.3	177.5	169.8	0	114.7	E26	E26-K30 PolarHBondContact O-N 2.9Å
31	V	44.2	Very low	39.4	Very low	98 Å²	98	118.4 Å²	118.4	59%	0.594	65%	0.654	S	S	*	*	H	α-helix	trans	-81.5	-32.1	176.8	176.2	0	0	0	0	111.5	K28 G34	K28-V31 PolarHBondContact O-N 3.4Å; V31-G34 PolarHBondContact O-N 3.47Å
32	I	42.8	Very low	38.7	Very low	117 Å²	117	121.9 Å²	121.9	60%	0.6	67%	0.67	S	S	*	*	H	α-helix	trans	-74.6	-29.6	178.8	-64.4	169.2	0	0	0	111.8	K28 G34	K28-I32 WeakPolarHBondContact O-CG1 3.44Å; I32-G34 VanDerWaalsContact C-N 3.31Å; I32-G34 PolarHBondContact O-N 3.09Å
33	A	38.8	Very low	38.1	Very low	76 Å²	76	121.5 Å²	121.5	63%	0.628	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-18.4	174.4	0	0	0	0	0	113.9	A29	A29-A33 PolarHBondContact O-N 2.78Å
34	G	38.4	Very low	37.8	Very low	55 Å²	55	123.9 Å²	123.9	57%	0.567	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-10.8	-177.6	0	0	0	0	0	115.7	V31 I32	V31-G34 PolarHBondContact O-N 3.47Å; I32-G34 VanDerWaalsContact C-N 3.31Å; I32-G34 PolarHBondContact O-N 3.09Å
35	M	37.5	Very low	36.9	Very low	152 Å²	152	123.7 Å²	123.7	75%	0.749	71%	0.714	S	S	*	*	S	Bend	trans	-103.3	-9.2	-178.4	-74.2	172.1	68.5	0	0	114
36	N	33.8	Very low	36	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	74%	0.735	S	S	*	*	S	Bend	trans	-93.4	18.3	178.1	-76.3	-24.8	0	0	0	114
37	A	33.9	Very low	35.2	Very low	82 Å²	82	129.9 Å²	129.9	68%	0.678	75%	0.746	S	S	*	*	S	Bend	trans	-117.9	18.6	-176.4	0	0	0	0	0	114.1
38	V	36.6	Very low	34.4	Very low	124 Å²	124	132 Å²	132	75%	0.752	76%	0.758	S	S	*	*	S	Bend	trans	-140.2	82.8	175.3	-171.4	0	0	0	0	108.9
39	E	32.9	Very low	33.3	Very low	193 Å²	193	134 Å²	134	90%	0.902	77%	0.767	S	S	*	*			trans	167.3	64	148.6	-92.9	176.8	-176.2	0	0	110.2
40	E	27.9	Very low	32.5	Very low	188 Å²	188	137.4 Å²	137.4	88%	0.879	78%	0.781	S	S	*	*			trans	-128.4	98.7	156.9	-90	-169.3	157.6	0	0	107.7
41	N	27.7	Very low	31.8	Very low	159 Å²	159	137 Å²	137	85%	0.85	78%	0.782	S	S	*	*			trans	-170.4	101.6	155.2	-109.6	-17.3	0	0	0	110
42	Q	30.1	Very low	30.9	Very low	201 Å²	201	141.1 Å²	141.1	94%	0.939	79%	0.794	S	S	*	*			trans	166.2	121.6	135.4	-89.8	166.7	41.8	0	0	110.5
43	G	27.6	Very low	29.9	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	80%	0.803	S	S	*	*			trans	-130.9	-166.4	152.8	0	0	0	0	0	108.3
44	P	36.3	Very low	29.2	Very low	139 Å²	139	142 Å²	142	90%	0.903	81%	0.812	S	S	*	*			cis	-119.9	163.2	-45.2	35.4	-21.6	0	0	0	111.2
45	G	26	Very low	29.9	Very low	77 Å²	77	145 Å²	145	79%	0.794	82%	0.821	S	S	*	*			trans	-147.5	99.3	179.2	0	0	0	0	0	114.1
46	E	26.5	Very low	29.5	Very low	200 Å²	200	143.3 Å²	143.3	94%	0.935	82%	0.822	S	S	*	*			trans	30.2	139.2	151.8	-69.6	-177.9	153.3	0	0	125.5
47	S	26.1	Very low	29.1	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	82%	0.821	S	S	*	*			trans	-75.5	154	178.5	-42.5	0	0	0	0	115.1
48	Q	26.4	Very low	28.7	Very low	206 Å²	206	143 Å²	143	96%	0.963	83%	0.826	S	S	*	*			trans	-149.2	144.8	143.5	-107.2	176.9	7.9	0	0	111.7
49	K	24.2	Very low	28.1	Very low	186 Å²	186	146 Å²	146	81%	0.809	83%	0.832	S	S	*	*			trans	-137.1	136.9	-157.7	-174.3	-165.5	-172.1	-162.3	0	107.9
50	V	25.2	Very low	27.7	Very low	134 Å²	134	145.7 Å²	145.7	81%	0.812	83%	0.83	S	S	*	*			trans	-157.1	105.2	157.9	-169.9	0	0	0	0	107.4
51	E	25.1	Very low	27.8	Very low	158 Å²	158	141.6 Å²	141.6	74%	0.738	82%	0.82	S	S	*	*				57.1	107.8	92.6	-93.1	177.1	179.8	0	0	114.5
52	E	24.3	Very low	27.6	Very low	184 Å²	184	140 Å²	140	86%	0.86	82%	0.816	S	S	*	*				88.3	120.3	61.9	-162.3	176	-140.2	0	0	113.9
53	A	23	Very low	27.6	Very low	96 Å²	96	137.9 Å²	137.9	79%	0.793	81%	0.811	S	S	*	*			trans	-177.7	138.2	143.2	0	0	0	0	0	113.5
54	S	23.8	Very low	27.5	Very low	117 Å²	117	140 Å²	140	82%	0.818	81%	0.812	S	S	*	*			trans	-158.1	179.7	165	-67.4	0	0	0	0	106.2
55	P	52.3	Low	26.9	Very low	116 Å²	116	137.7 Å²	137.7	75%	0.753	81%	0.805	S	S	*	*			cis	-125.6	-158.8	-44.4	32.3	-10.4	0	0	0	109.8
56	P	29.1	Very low	27.1	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	80%	0.804	S	S	*	*				-152.1	141	95.9	36.5	-16.1	0	0	0	115.4
57	A	25.2	Very low	27.1	Very low	91 Å²	91	135.4 Å²	135.4	75%	0.752	80%	0.796	S	S	*	*				77.2	146.1	95.3	0	0	0	0	0	115.3
58	V	25.8	Very low	27	Very low	129 Å²	129	135.6 Å²	135.6	78%	0.782	79%	0.793	S	S	*	*			cis	-171.7	156	-7.3	148.4	0	0	0	0	104.2
59	Q	24.8	Very low	26.8	Very low	188 Å²	188	132.1 Å²	132.1	88%	0.879	79%	0.785	S	S	*	*			trans	154.3	103.8	135.7	-79.6	-178	10	0	0	112.7
60	Q	23.5	Very low	26.7	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	78%	0.779	S	S	*	*			trans	-76.6	-176.7	142.8	-69.2	-176.7	-23.4	0	0	108.7
61	P	31.4	Very low	26.5	Very low	103 Å²	103	126.9 Å²	126.9	67%	0.669	78%	0.777	S	S	*	*			cis	-130.4	-179.3	-2.4	22.9	4.8	0	0	0	110.6
62	T	23.1	Very low	26.7	Very low	125 Å²	125	125.3 Å²	125.3	77%	0.767	78%	0.779	S	S	*	*				173.6	138.6	71	38	0	0	0	0	109.3
63	D	29.7	Very low	26.7	Very low	156 Å²	156	122.4 Å²	122.4	83%	0.834	78%	0.776	S	S	*	*			trans	-63.1	158	155.5	-90.6	-42.7	0	0	0	111
64	P	26.2	Very low	26.7	Very low	117 Å²	117	126 Å²	126	76%	0.76	78%	0.776	S	S	*	*				-146.8	139.8	100.3	33.7	-15.1	0	0	0	116
65	A	22.7	Very low	27.5	Very low	91 Å²	91	125.6 Å²	125.6	75%	0.752	77%	0.771	S	S	*	*				59.8	119.5	128.7	0	0	0	0	0	121.1
66	S	31.3	Very low	26.2	Very low	112 Å²	112	127.4 Å²	127.4	78%	0.783	78%	0.779	S	S	*	*			trans	-57.6	158.3	153.2	-48.7	0	0	0	0	112.7
67	P	26.1	Very low	25.9	Very low	116 Å²	116	124.9 Å²	124.9	75%	0.753	78%	0.775	S	S	*	*				-139.1	137.2	106.4	25.7	-6.5	0	0	0	112.9
68	T	22.9	Very low	25.9	Very low	120 Å²	120	125.5 Å²	125.5	74%	0.736	78%	0.78	S	S	*	*				78.7	106.2	80.2	-34	0	0	0	0	114.2
69	V	23.5	Very low	25.7	Very low	132 Å²	132	127.1 Å²	127.1	80%	0.8	78%	0.784	S	S	*	*			trans	59	124.1	137.9	-178.7	0	0	0	0	119.3
70	A	21	Very low	25.7	Very low	82 Å²	82	122.3 Å²	122.3	68%	0.678	78%	0.777	S	S	*	*				-177.5	111.4	125.7	0	0	0	0	0	113.1
71	T	22.4	Very low	25.7	Very low	128 Å²	128	117.2 Å²	117.2	79%	0.785	77%	0.774	S	S	*	*			trans	52.3	120.9	130.7	46.8	0	0	0	0	121.9
72	T	28.7	Very low	25.5	Very low	126 Å²	126	118.1 Å²	118.1	77%	0.773	77%	0.773	S	S	*	*			trans	-41.8	152.6	153.8	-0.5	0	0	0	0	114.5
73	P	23.5	Very low	25.7	Very low	123 Å²	123	119.8 Å²	119.8	80%	0.799	77%	0.77	S	S	*	*				-133.3	133.9	120.1	22.2	-3.6	0	0	0	113.4
74	E	22.8	Very low	25.5	Very low	170 Å²	170	119.7 Å²	119.7	79%	0.794	77%	0.769	S	S	*	*			trans	-76.3	-170.7	153	-66.6	-169.1	135.5	0	0	110
75	P	41.4	Very low	25.4	Very low	109 Å²	109	118.3 Å²	118.3	71%	0.708	77%	0.767	S	S	*	*				-133.1	164.3	-64.8	37.2	-21.5	0	0	0	111.9
76	V	24.1	Very low	25.7	Very low	154 Å²	154	120.6 Å²	120.6	93%	0.933	77%	0.772	S	S	*	*			trans	-154.8	133.5	161	-166.4	0	0	0	0	106.4
77	G	24.8	Very low	25.7	Very low	66 Å²	66	125 Å²	125	68%	0.68	78%	0.778	S	S	*	*			cis	138.5	128.4	9.6	0	0	0	0	0	109.3
78	A	23.8	Very low	25.9	Very low	103 Å²	103	122.5 Å²	122.5	85%	0.851	77%	0.767	S	S	*	*			trans	76.5	145.3	171.1	0	0	0	0	0	117.2
79	D	22.7	Very low	26.4	Very low	163 Å²	163	119.9 Å²	119.9	87%	0.872	76%	0.763	S	S	*	*			cis	-160.9	178.5	20.2	-149.5	-13.1	0	0	0	111
80	A	24.6	Very low	27.1	Very low	88 Å²	88	121.6 Å²	121.6	73%	0.727	77%	0.768	S	S	*	*			trans	-91.5	162.7	-149.6	0	0	0	0	0	120.1
81	G	23.5	Very low	28.1	Very low	77 Å²	77	125 Å²	125	79%	0.794	78%	0.775	S	S	*	*			trans	82.2	148.6	141	0	0	0	0	0	118
82	D	25.6	Very low	29.6	Very low	123 Å²	123	123 Å²	123	66%	0.658	76%	0.756	S	S	*	*			cis	-169	140.1	-4	-154.6	12.7	0	0	0	107.1
83	K	28.6	Very low	31.2	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.696	74%	0.737	S	S	*	*			trans	44.2	125.7	148.2	-68.8	163.3	-163.4	138.3	0	122.7
84	N	24.3	Very low	33.8	Very low	154 Å²	154	114.6 Å²	114.6	82%	0.824	70%	0.703	S	S	*	*				170.2	146.1	87.3	-106.2	-19.3	0	0	0	115.9
85	A	25.8	Very low	36.8	Very low	87 Å²	87	107.4 Å²	107.4	72%	0.719	67%	0.668	S	S	*	*			trans	72.3	138	155.2	0	0	0	0	0	118.7
86	T	28.6	Very low	38.5	Very low	140 Å²	140	109 Å²	109	86%	0.859	67%	0.667	S	S	*	*			cis	-163.9	160.7	42.6	-30.6	0	0	0	0	112.1
87	K	31.1	Very low	41	Very low	205 Å²	205	104.1 Å²	104.1	89%	0.891	64%	0.635	S	S	*	*			trans	-72.9	130.3	170.2	-77.4	177.3	171.2	-177.6	0	111.9
88	A	29.8	Very low	43.4	Very low	63 Å²	63	104.9 Å²	104.9	52%	0.521	64%	0.643	S	S	.	*			trans	-155.2	149.4	150.9	0	0	0	0	0	107.8	E92	A88-E92 HydrophobicContact CB-CG 4.42Å; A88-E92 WeakPolarHBondContact CB-OE1 3.35Å
89	G	34.8	Very low	46	Very low	64 Å²	64	106 Å²	106	66%	0.66	63%	0.625	S	S	*	*			trans	-165.9	6.5	-170.8	0	0	0	0	0	117.8
90	D	36.8	Very low	48.8	Very low	169 Å²	169	100.2 Å²	100.2	90%	0.904	60%	0.604	S	S	*	*	S	Bend	trans	-128.5	4.3	161.6	-108.6	-14.6	0	0	0	112.8
91	D	42.6	Very low	51.8	Low	153 Å²	153	97.3 Å²	97.3	82%	0.818	58%	0.575	S	S	*	*	S	Bend	trans	-126.9	19.1	175.8	-87.6	-35.8	0	0	0	111.4	P93	D91-P93 WeakPolarHBondContact O-CD 3.02Å
92	E	53.3	Low	55	Low	86 Å²	86	94.7 Å²	94.7	40%	0.402	55%	0.548	S	S	.	.			trans	-75.9	111.9	-178.5	-75.2	-67.8	138.6	0	0	110.5	A88 E94 R131	A88-E92 HydrophobicContact CB-CG 4.42Å; A88-E92 WeakPolarHBondContact CB-OE1 3.35Å; E92-E94 PolarHBondContact O-N 3.34Å; E92-R131 PolarHBondContact O-NH2 3.22Å
93	P	63.8	Low	58.2	Low	58 Å²	58	89.7 Å²	89.7	38%	0.377	52%	0.521	S	S	.	.			trans	-54.9	136.4	176.8	20.3	-31.2	0	0	0	111.1	D91 Y95 E96	D91-P93 WeakPolarHBondContact O-CD 3.02Å; P93-Y95 PolarHBondContact O-N 3.31Å; P93-E96 HydrophobicContact CB-CB 4.46Å; P93-E96 HydrophobicContact CB-CG 3.91Å; P93-E96 WeakPolarHBondContact CB-OE1 3.36Å; P93-E96 HydrophobicContact CG-CB 3.92Å; P93-E96 HydrophobicContact CG-CG 3.71Å; P93-E96 WeakPolarHBondContact CG-OE1 3.33Å; P93-E96 WeakPolarHBondContact CG-OE2 3.47Å; P93-E96 PolarHBondContact O-N 3.37Å
94	E	77.1	Confident	61.1	Low	15 Å²	15	82.1 Å²	82.1	7%	0.07	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	129.2	-174.6	-178.3	-175.7	-171	0	0	111	E92 E96 I103 S123 W124 W125	E92-E94 PolarHBondContact O-N 3.34Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.09Å; E94-I103 HydrophobicContact CB-CD1 4.06Å; E94-I103 HydrophobicContact CG-CD1 4.29Å; E94-S123 WeakPolarHBondContact OE1-CA 3.48Å; E94-S123 PolarHBondContact OE1-OG 2.99Å; E94-S123 WeakPolarHBondContact OE2-CA 3.35Å; E94-S123 WeakPolarHBondContact OE2-CB 3.46Å; E94-S123 PolarHBondContact OE2-OG 3Å; E94-W124 VanDerWaalsContact OE1-CD1 3.28Å; E94-W124 PolarHBondContact OE1-N 3.37Å; E94-W125 HydrophobicContact CB-CH2 4.28Å; E94-W125 HydrophobicContact CB-CZ3 4.38Å; E94-W125 WeakPolarHBondContact OE2-CH2 3.36Å; E94-W125 WeakPolarHBondContact OE2-CZ3 3.3Å
95	Y	85.2	Confident	64.5	Low	19 Å²	19	78 Å²	78	8%	0.075	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	13.5	179.9	-47.7	-40.6	0	0	0	116.6	P93 D97 I103 I121 V122 A132 R137 W138	P93-Y95 PolarHBondContact O-N 3.31Å; Y95-D97 PolarHBondContact O-N 3.01Å; Y95-D97 VanDerWaalsContact O-N 3.14Å; Y95-I103 HydrophobicContact CD2-CD1 4.44Å; Y95-I103 HydrophobicContact CD2-CG1 3.53Å; Y95-I103 HydrophobicContact CE2-CG1 3.85Å; Y95-I121 HydrophobicContact CD2-CG2 3.72Å; Y95-I121 HydrophobicContact CE2-CG2 3.6Å; Y95-V122 WeakPolarHBondContact CE2-O 3.47Å; Y95-V122 PolarHBondContact OH-O 3.24Å; Y95-A132 HydrophobicContact CE1-CB 4Å; Y95-R137 VanDerWaalsContact CE1-CD 3.49Å; Y95-W138 PolarHBondContact OH-N 2.89Å
96	E	76.9	Confident	67.8	Low	143 Å²	143	74.2 Å²	74.2	67%	0.668	43%	0.432	S	S	*	.			trans	-83.6	37.3	166.1	-62.9	-166.9	-168.2	0	0	112.5	P93 E94 G98	P93-E96 HydrophobicContact CB-CB 4.46Å; P93-E96 HydrophobicContact CB-CG 3.91Å; P93-E96 WeakPolarHBondContact CB-OE1 3.36Å; P93-E96 HydrophobicContact CG-CB 3.92Å; P93-E96 HydrophobicContact CG-CG 3.71Å; P93-E96 WeakPolarHBondContact CG-OE1 3.33Å; P93-E96 WeakPolarHBondContact CG-OE2 3.47Å; P93-E96 PolarHBondContact O-N 3.37Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.09Å; E96-G98 VanDerWaalsContact C-N 3.27Å; E96-G98 PolarHBondContact O-N 2.94Å
97	D	76.4	Confident	71.1	Confident	51 Å²	51	67.5 Å²	67.5	27%	0.273	39%	0.391	S	S	.	.	S	Bend	trans	-86.6	8.8	-177.7	66.6	10.9	0	0	0	113.7	Y95 R99 E134 G135 R137	Y95-D97 PolarHBondContact O-N 3.01Å; Y95-D97 VanDerWaalsContact O-N 3.14Å; D97-R99 PolarHBondContact O-N 3.45Å; D97-R99 VanDerWaalsContact OD1-CB 3.26Å; D97-R99 WeakPolarHBondContact OD1-CB 3.47Å; D97-R99 PolarHBondContact OD1-N 2.84Å; D97-E134 HydrophobicContact CB-CG 4.41Å; D97-G135 PolarHBondContact OD2-N 3.23Å; D97-R137 VanDerWaalsContact CG-NH2 3.33Å; D97-R137 IonicContact OD1-CZ 3.78Å; D97-R137 IonicContact OD1-NH1 3.51Å; D97-R137 IonicContact OD1-NH2 3.4Å; D97-R137 PolarHBondContact OD1-NH2 2.84Å; D97-R137 IonicContact OD2-CZ 2.81Å; D97-R137 IonicContact OD2-NH1 3.99Å; D97-R137 PolarHBondContact OD2-NH1 3.26Å; D97-R137 IonicContact OD2-NH2 3.75Å; D97-R137 PolarHBondContact OD2-NH2 3.36Å
98	G	76.1	Confident	74.2	Confident	82 Å²	82	57.8 Å²	57.8	85%	0.845	35%	0.349	S	S	*	.	S	Bend	trans	69.6	5.3	-178.6	0	0	0	0	0	115	E96	E96-G98 VanDerWaalsContact C-N 3.27Å; E96-G98 PolarHBondContact O-N 2.94Å
99	R	77.8	Confident	77.4	Confident	125 Å²	125	54.8 Å²	54.8	47%	0.472	32%	0.324	S	S	.	.	S	Bend	trans	-94.5	7.5	-178.9	-56.3	-179.9	-176.8	-110.8	3.1	113.5	D97 E134 V152	D97-R99 PolarHBondContact O-N 3.45Å; D97-R99 VanDerWaalsContact OD1-CB 3.26Å; D97-R99 WeakPolarHBondContact OD1-CB 3.47Å; D97-R99 PolarHBondContact OD1-N 2.84Å; R99-E134 IonicContact CZ-OE1 3.64Å; R99-E134 IonicContact NE-OE1 3.2Å; R99-E134 IonicContact NH2-OE1 2.81Å; R99-E134 PolarHBondContact NH2-OE1 2.88Å; R99-V152 HydrophobicContact CB-CG1 4.48Å; R99-V152 HydrophobicContact CB-CG2 4.45Å; R99-V152 WeakPolarHBondContact O-CG1 3.31Å
100	G	81.3	Confident	80.1	Confident	43 Å²	43	55.6 Å²	55.6	44%	0.443	31%	0.309	S	S	.	.	S	Bend	trans	79.6	169.3	179.5	0	0	0	0	0	113.6	R137	G100-R137 PolarHBondContact O-NE 2.99Å; G100-R137 PolarHBondContact O-NH2 3.48Å
101	F	89	Confident	82.3	Confident	27 Å²	27	50.2 Å²	50.2	12%	0.118	28%	0.281	C	S	.	.			trans	64.5	82.3	-179.5	-49.4	-71.3	0	0	0	114.6	E105 V107 I121 R137 V152 L155 P157	F101-E105 WeakPolarHBondContact CA-OE2 3.41Å; F101-E105 WeakPolarHBondContact CD1-OE2 3.32Å; F101-V107 HydrophobicContact CD1-CG1 3.41Å; F101-V107 VanDerWaalsContact CD1-CG1 3.41Å; F101-V107 HydrophobicContact CE1-CG1 3.79Å; F101-V107 HydrophobicContact CG-CG1 4.22Å; F101-I121 HydrophobicContact CB-CD1 4.4Å; F101-I121 HydrophobicContact CB-CG1 4.08Å; F101-R137 HydrophobicContact CB-CG 4.31Å; F101-R137 WeakPolarHBondContact O-CD 3.44Å; F101-R137 PolarHBondContact O-NE 3.4Å; F101-V152 HydrophobicContact CD2-CG1 4.06Å; F101-V152 HydrophobicContact CE2-CG1 4.15Å; F101-L155 HydrophobicContact CD2-CB 4.14Å; F101-L155 HydrophobicContact CD2-CD1 4.32Å; F101-L155 HydrophobicContact CE2-CB 3.84Å; F101-L155 HydrophobicContact CG-CD1 4.49Å; F101-L155 HydrophobicContact CZ-CB 4.07Å; F101-P157 HydrophobicContact CE1-CB 4.12Å
102	G	91.1	Very high	84.1	Confident	21 Å²	21	54.6 Å²	54.6	22%	0.216	29%	0.286	C	S	.	.			trans	-81.1	172.2	172.8	0	0	0	0	0	113.9	G104 E105 I121	G102-G104 PolarHBondContact O-N 2.89Å; G102-E105 VanDerWaalsContact N-CD 3.33Å; G102-E105 PolarHBondContact N-OE1 2.87Å; G102-E105 WeakPolarHBondContact O-CB 3.3Å; G102-E105 PolarHBondContact O-N 3.3Å; G102-I121 WeakPolarHBondContact O-CB 3.2Å; G102-I121 WeakPolarHBondContact O-CG2 3.32Å
103	I	91.9	Very high	85.2	Confident	18 Å²	18	54.5 Å²	54.5	9%	0.092	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	135.1	176.7	-58.6	176.9	0	0	0	110.1	E94 Y95 E105 W125 E239 P242	E94-I103 HydrophobicContact CB-CD1 4.06Å; E94-I103 HydrophobicContact CG-CD1 4.29Å; Y95-I103 HydrophobicContact CD2-CD1 4.44Å; Y95-I103 HydrophobicContact CD2-CG1 3.53Å; Y95-I103 HydrophobicContact CE2-CG1 3.85Å; I103-E105 VanDerWaalsContact C-N 3.32Å; I103-E105 PolarHBondContact O-N 3.06Å; I103-W125 HydrophobicContact CD1-CH2 3.58Å; I103-W125 HydrophobicContact CD1-CZ2 3.75Å; I103-E239 WeakPolarHBondContact CG2-O 3.47Å; I103-P242 HydrophobicContact CG2-CG 4.13Å
104	G	90.4	Very high	86.2	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.021	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-10.2	179	0	0	0	0	0	114.4	G102 I121 R190	G102-G104 PolarHBondContact O-N 2.89Å; G104-I121 WeakPolarHBondContact CA-O 3.41Å; G104-I121 PolarHBondContact N-O 3.06Å; G104-R190 PolarHBondContact O-NH1 3.22Å; G104-R190 PolarHBondContact O-NH2 3.47Å
105	E	94.3	Very high	86.8	Confident	66 Å²	66	57.7 Å²	57.7	31%	0.308	32%	0.318	S	S	.	.			trans	-65.3	139.5	177.8	-74.7	-169.6	-145.1	0	0	112.4	F101 G102 I103 R120 I121 P235	F101-E105 WeakPolarHBondContact CA-OE2 3.41Å; F101-E105 WeakPolarHBondContact CD1-OE2 3.32Å; G102-E105 VanDerWaalsContact N-CD 3.33Å; G102-E105 PolarHBondContact N-OE1 2.87Å; G102-E105 WeakPolarHBondContact O-CB 3.3Å; G102-E105 PolarHBondContact O-N 3.3Å; I103-E105 VanDerWaalsContact C-N 3.32Å; I103-E105 PolarHBondContact O-N 3.06Å; E105-R120 CarbonylContact O-C 3.53Å; E105-R120 WeakPolarHBondContact O-CA 3.38Å; E105-I121 HydrophobicContact CB-CG1 4.17Å; E105-I121 PolarHBondContact O-N 2.92Å; E105-P235 HydrophobicContact CG-CG 4.36Å
106	L	96.2	Very high	87.3	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.8	174	-55.9	177.2	0	0	0	109.7	R120 F142 L158 V183 V186 A187	L106-R120 HydrophobicContact CD2-CB 4.17Å; L106-R120 HydrophobicContact CD2-CG 4.23Å; L106-F142 HydrophobicContact CD2-CE2 3.9Å; L106-F142 HydrophobicContact CD2-CZ 3.88Å; L106-L158 HydrophobicContact CB-CB 3.75Å; L106-L158 HydrophobicContact CB-CD2 3.73Å; L106-L158 HydrophobicContact CB-CG 4.3Å; L106-L158 HydrophobicContact CD1-CD2 3.62Å; L106-L158 HydrophobicContact CG-CD2 4.31Å; L106-L158 WeakPolarHBondContact O-CB 3.42Å; L106-L158 PolarHBondContact O-N 3.18Å; L106-V183 HydrophobicContact CD1-CG2 4.38Å; L106-V183 HydrophobicContact CD2-CG2 4.43Å; L106-V186 HydrophobicContact CD1-CB 4.46Å; L106-V186 HydrophobicContact CD1-CG1 4.1Å; L106-V186 HydrophobicContact CD2-CG1 4.08Å; L106-A187 HydrophobicContact CD1-CB 4.2Å
107	V	97.2	Very high	88.3	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.5	-172	-63.2	0	0	0	0	112	F101 P118 G119 I121 V139 L155 M156	F101-V107 HydrophobicContact CD1-CG1 3.41Å; F101-V107 VanDerWaalsContact CD1-CG1 3.41Å; F101-V107 HydrophobicContact CE1-CG1 3.79Å; F101-V107 HydrophobicContact CG-CG1 4.22Å; V107-P118 CarbonylContact O-C 3.53Å; V107-P118 WeakPolarHBondContact O-CA 3.46Å; V107-G119 PolarHBondContact N-O 2.87Å; V107-G119 PolarHBondContact O-N 3.19Å; V107-I121 HydrophobicContact CB-CD1 4.45Å; V107-I121 HydrophobicContact CG1-CD1 3.9Å; V107-I121 HydrophobicContact CG1-CG1 3.96Å; V107-I121 HydrophobicContact CG2-CD1 3.71Å; V107-I121 HydrophobicContact CG2-CG1 4.4Å; V107-V139 HydrophobicContact CG2-CG1 4.13Å; V107-L155 HydrophobicContact CB-CD2 4.47Å; V107-L155 HydrophobicContact CG2-CD2 4.11Å; V107-M156 CarbonylContact C-O 3.49Å; V107-M156 VanDerWaalsContact CA-O 3.27Å; V107-M156 WeakPolarHBondContact CA-O 3.35Å; V107-M156 WeakPolarHBondContact CB-O 3.47Å
108	W	97.3	Very high	89.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.7	157	-66.4	101	0	0	0	108.8	W116 W117 P118 L155 M156 L158 F161 A164 F165 Y176 I180	W108-W116 HydrophobicContact CB-CE3 3.86Å; W108-W116 HydrophobicContact CB-CZ3 4.47Å; W108-W116 HydrophobicContact CE3-CB 4.03Å; W108-W116 WeakPolarHBondContact CZ3-O 3.05Å; W108-W117 CarbonylContact C-O 3.56Å; W108-W117 WeakPolarHBondContact CA-O 3.12Å; W108-P118 HydrophobicContact CE3-CB 4.35Å; W108-P118 HydrophobicContact CZ3-CB 4.3Å; W108-P118 HydrophobicContact CZ3-CG 4.42Å; W108-L155 CarbonylContact O-C 3.5Å; W108-L155 VanDerWaalsContact O-CA 3.27Å; W108-L155 WeakPolarHBondContact O-CA 2.78Å; W108-M156 HydrophobicContact CB-CB 4.27Å; W108-M156 HydrophobicContact CB-CE 4.47Å; W108-M156 PolarHBondContact N-O 2.93Å; W108-M156 PolarHBondContact O-N 3.19Å; W108-L158 HydrophobicContact CZ2-CD1 4.24Å; W108-L158 PolarHBondContact NE1-O 3.31Å; W108-F161 HydrophobicContact CH2-CD2 4.38Å; W108-F161 HydrophobicContact CH2-CE2 4.2Å; W108-F161 AromaticContact CZ2-CD2 3.47Å; W108-F161 HydrophobicContact CZ2-CD2 3.47Å; W108-F161 VanDerWaalsContact CZ2-CD2 3.47Å; W108-F161 AromaticContact CZ2-CE2 3.71Å; W108-F161 HydrophobicContact CZ2-CE2 3.71Å; W108-F161 HydrophobicContact CZ2-CG 4.03Å; W108-F161 HydrophobicContact CZ2-CZ 4.46Å; W108-A164 HydrophobicContact CB-CB 4.01Å; W108-A164 HydrophobicContact CD2-CB 3.36Å; W108-A164 VanDerWaalsContact CE2-CB 3.49Å; W108-A164 HydrophobicContact CE3-CB 3.92Å; W108-A164 HydrophobicContact CG-CB 3.39Å; W108-A164 HydrophobicContact CZ2-CB 4.11Å; W108-A164 HydrophobicContact CZ3-CB 4.48Å; W108-F165 HydrophobicContact CH2-CB 4.14Å; W108-F165 HydrophobicContact CH2-CD2 4.28Å; W108-F165 HydrophobicContact CZ2-CB 4.28Å; W108-Y176 WeakPolarHBondContact CZ3-OH 3.2Å; W108-I180 HydrophobicContact CH2-CD1 3.4Å; W108-I180 HydrophobicContact CZ2-CD1 4.37Å; W108-I180 HydrophobicContact CZ3-CD1 3.92Å
109	G	95.4	Very high	90.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.5	174.2	0	0	0	0	0	112.8	W117 K154	G109-W117 PolarHBondContact N-O 3.38Å; G109-W117 PolarHBondContact O-N 3.3Å; G109-K154 WeakPolarHBondContact CA-O 3.5Å
110	K	92.3	Very high	91.1	Very high	81 Å²	81	44.8 Å²	44.8	35%	0.352	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	104.9	179.4	-171.6	61.3	172.1	176.1	0	111.6	F114 W116 K154	K110-F114 PolarHBondContact NZ-O 2.99Å; K110-W116 HydrophobicContact CB-CD2 3.92Å; K110-W116 HydrophobicContact CB-CE3 3.71Å; K110-W116 HydrophobicContact CB-CH2 3.73Å; K110-W116 HydrophobicContact CB-CZ2 3.92Å; K110-W116 HydrophobicContact CB-CZ3 3.63Å; K110-W116 HydrophobicContact CD-CD2 4.07Å; K110-W116 HydrophobicContact CD-CG 4.21Å; K110-W116 HydrophobicContact CG-CD2 4.44Å; K110-W116 HydrophobicContact CG-CZ2 4.3Å; K110-K154 HydrophobicContact CB-CB 4.39Å; K110-K154 PolarHBondContact N-O 3.34Å
111	L	82.9	Confident	91.7	Very high	57 Å²	57	42.8 Å²	42.8	30%	0.298	21%	0.213	S	C	.	.			trans	-93.6	147.9	170.4	-63.2	178.8	0	0	0	111.2	G113 F114 W141	L111-G113 PolarHBondContact O-N 2.91Å; L111-F114 HydrophobicContact CB-CB 4.26Å; L111-F114 HydrophobicContact CB-CD2 4Å; L111-F114 HydrophobicContact CB-CG 4.48Å; L111-F114 PolarHBondContact O-N 3.13Å; L111-F114 VanDerWaalsContact O-N 3.16Å; L111-W141 HydrophobicContact CD1-CH2 4.31Å; L111-W141 HydrophobicContact CD1-CZ2 3.68Å; L111-W141 HydrophobicContact CD2-CH2 4.43Å; L111-W141 HydrophobicContact CD2-CZ2 3.91Å; L111-W141 HydrophobicContact CG-CH2 4.1Å; L111-W141 HydrophobicContact CG-CZ2 3.8Å
112	R	79.8	Confident	91.9	Very high	245 Å²	245	41.6 Å²	41.6	93%	0.925	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	126.6	178.6	-173.9	-179.9	-178.5	-178.9	-0	109.2	F114	R112-F114 VanDerWaalsContact C-N 3.32Å; R112-F114 WeakPolarHBondContact O-CD2 3.39Å
113	G	77.1	Confident	91.7	Very high	83 Å²	83	40.6 Å²	40.6	86%	0.856	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	-1.9	-178.9	0	0	0	0	0	115.3	L111	L111-G113 PolarHBondContact O-N 2.91Å
114	F	84	Confident	91.1	Very high	115 Å²	115	43.8 Å²	43.8	50%	0.504	21%	0.209	S	C	.	.	S	Bend	trans	-117.1	155.5	178.2	-64.9	-91.7	0	0	0	111.8	K110 L111 R112	K110-F114 PolarHBondContact NZ-O 2.99Å; L111-F114 HydrophobicContact CB-CB 4.26Å; L111-F114 HydrophobicContact CB-CD2 4Å; L111-F114 HydrophobicContact CB-CG 4.48Å; L111-F114 PolarHBondContact O-N 3.13Å; L111-F114 VanDerWaalsContact O-N 3.16Å; R112-F114 VanDerWaalsContact C-N 3.32Å; R112-F114 WeakPolarHBondContact O-CD2 3.39Å
115	S	90.9	Very high	90.4	Very high	25 Å²	25	46.6 Å²	46.6	18%	0.175	22%	0.219	C	C	.	.			trans	-62.6	166.2	163.7	-63.3	0	0	0	0	110.4	W117 H166 T169	S115-W117 PolarHBondContact O-N 2.82Å; S115-H166 PolarHBondContact OG-ND1 3.32Å; S115-T169 PolarHBondContact OG-OG1 3.38Å
116	W	95.4	Very high	89.4	Confident	59 Å²	59	48.3 Å²	48.3	22%	0.223	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	125.5	168.1	-73.6	100.7	0	0	0	109	W108 K110 K154 M156 A164 Y176	W108-W116 HydrophobicContact CB-CE3 3.86Å; W108-W116 HydrophobicContact CB-CZ3 4.47Å; W108-W116 HydrophobicContact CE3-CB 4.03Å; W108-W116 WeakPolarHBondContact CZ3-O 3.05Å; K110-W116 HydrophobicContact CB-CD2 3.92Å; K110-W116 HydrophobicContact CB-CE3 3.71Å; K110-W116 HydrophobicContact CB-CH2 3.73Å; K110-W116 HydrophobicContact CB-CZ2 3.92Å; K110-W116 HydrophobicContact CB-CZ3 3.63Å; K110-W116 HydrophobicContact CD-CD2 4.07Å; K110-W116 HydrophobicContact CD-CG 4.21Å; K110-W116 HydrophobicContact CG-CD2 4.44Å; K110-W116 HydrophobicContact CG-CZ2 4.3Å; W116-K154 VanDerWaalsContact CZ3-O 3.29Å; W116-K154 WeakPolarHBondContact CZ3-O 3.38Å; W116-M156 HydrophobicContact CD2-CE 3.59Å; W116-M156 HydrophobicContact CE3-CE 3.68Å; W116-M156 HydrophobicContact CG-CE 4.25Å; W116-M156 HydrophobicContact CH2-CE 3.68Å; W116-M156 HydrophobicContact CH2-CG 3.75Å; W116-M156 HydrophobicContact CH2-SD 3.94Å; W116-M156 HydrophobicContact CZ2-CE 3.6Å; W116-M156 HydrophobicContact CZ2-CG 4.46Å; W116-M156 HydrophobicContact CZ2-SD 4.05Å; W116-M156 HydrophobicContact CZ3-CB 4.38Å; W116-M156 HydrophobicContact CZ3-CE 3.7Å; W116-M156 HydrophobicContact CZ3-CG 3.86Å; W116-M156 HydrophobicContact CZ3-SD 4.35Å; W116-A164 HydrophobicContact CB-CB 4.1Å; W116-A164 WeakPolarHBondContact CB-O 3.45Å; W116-A164 HydrophobicContact CG-CB 4.31Å; W116-Y176 VanDerWaalsContact O-CE2 3.29Å; W116-Y176 WeakPolarHBondContact O-CE2 3.44Å; W116-Y176 PolarHBondContact O-OH 3.48Å
117	W	96.8	Very high	88.1	Confident	26 Å²	26	48.9 Å²	48.9	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139	-173.8	-156.5	-81	0	0	0	110.2	W108 G109 S115 W141 F142 M175 Y176 A179	W108-W117 CarbonylContact C-O 3.56Å; W108-W117 WeakPolarHBondContact CA-O 3.12Å; G109-W117 PolarHBondContact N-O 3.38Å; G109-W117 PolarHBondContact O-N 3.3Å; S115-W117 PolarHBondContact O-N 2.82Å; W117-W141 HydrophobicContact CB-CE3 4.1Å; W117-W141 HydrophobicContact CB-CZ3 4.11Å; W117-W141 AromaticContact CD1-CE3 3.95Å; W117-W141 HydrophobicContact CG-CE3 4.37Å; W117-W141 WeakPolarHBondContact O-CZ3 3.38Å; W117-F142 PolarHBondContact NE1-O 3.49Å; W117-M175 HydrophobicContact CH2-CB 4.39Å; W117-M175 HydrophobicContact CH2-CG 4.33Å; W117-M175 HydrophobicContact CZ2-CG 4.06Å; W117-Y176 AromaticContact CD2-CD2 3.91Å; W117-Y176 HydrophobicContact CD2-CD2 3.91Å; W117-Y176 HydrophobicContact CD2-CE2 4.39Å; W117-Y176 AromaticContact CE3-CD2 3.54Å; W117-Y176 HydrophobicContact CE3-CD2 3.54Å; W117-Y176 HydrophobicContact CE3-CE2 4.13Å; W117-Y176 AromaticContact CH2-CD2 3.87Å; W117-Y176 HydrophobicContact CH2-CD2 3.87Å; W117-Y176 HydrophobicContact CH2-CG 4.28Å; W117-Y176 HydrophobicContact CZ2-CD2 4.2Å; W117-Y176 AromaticContact CZ3-CD2 3.53Å; W117-Y176 HydrophobicContact CZ3-CD2 3.53Å; W117-Y176 HydrophobicContact CZ3-CG 4.24Å; W117-A179 HydrophobicContact CZ2-CB 3.98Å
118	P	97.1	Very high	86.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.2	179.5	31.3	-36.4	0	0	0	111.9	V107 W108 F142 A179 I180 V183	V107-P118 CarbonylContact O-C 3.53Å; V107-P118 WeakPolarHBondContact O-CA 3.46Å; W108-P118 HydrophobicContact CE3-CB 4.35Å; W108-P118 HydrophobicContact CZ3-CB 4.3Å; W108-P118 HydrophobicContact CZ3-CG 4.42Å; P118-F142 HydrophobicContact CB-CD2 4.37Å; P118-F142 HydrophobicContact CG-CB 4.37Å; P118-F142 PolarHBondContact O-N 3.34Å; P118-F142 VanDerWaalsContact O-N 3.11Å; P118-A179 HydrophobicContact CG-CB 3.82Å; P118-I180 HydrophobicContact CG-CD1 4.08Å; P118-V183 HydrophobicContact CB-CB 3.89Å; P118-V183 HydrophobicContact CB-CG1 3.68Å; P118-V183 HydrophobicContact CB-CG2 4.01Å; P118-V183 HydrophobicContact CG-CB 4.46Å; P118-V183 HydrophobicContact CG-CG1 4.08Å
119	G	96.9	Very high	85.4	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	177.2	177.7	0	0	0	0	0	112.5	V107 M140	V107-G119 PolarHBondContact N-O 2.87Å; V107-G119 PolarHBondContact O-N 3.19Å; G119-M140 CarbonylContact C-O 3.6Å; G119-M140 WeakPolarHBondContact CA-O 3.34Å
120	R	95.9	Very high	84.4	Confident	65 Å²	65	64.6 Å²	64.6	25%	0.245	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.3	175.1	-178.4	174.9	63.9	172.6	-4.3	109.7	E105 L106 V122 V139 M140 F142 E239	E105-R120 CarbonylContact O-C 3.53Å; E105-R120 WeakPolarHBondContact O-CA 3.38Å; L106-R120 HydrophobicContact CD2-CB 4.17Å; L106-R120 HydrophobicContact CD2-CG 4.23Å; R120-V122 PolarHBondContact O-N 3.3Å; R120-V139 WeakPolarHBondContact O-CA 3.38Å; R120-M140 PolarHBondContact N-O 3.46Å; R120-M140 PolarHBondContact O-N 2.98Å; R120-F142 HydrophobicContact CB-CE2 4Å; R120-F142 HydrophobicContact CB-CZ 4.15Å; R120-E239 IonicContact NH1-OE2 3.83Å; R120-E239 PolarHBondContact NH1-OE2 3.44Å
121	I	94.8	Very high	83.8	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.7	171	-53.9	-49.4	0	0	0	108.7	Y95 F101 G102 G104 E105 V107 R137 W138 V139 L155	Y95-I121 HydrophobicContact CD2-CG2 3.72Å; Y95-I121 HydrophobicContact CE2-CG2 3.6Å; F101-I121 HydrophobicContact CB-CD1 4.4Å; F101-I121 HydrophobicContact CB-CG1 4.08Å; G102-I121 WeakPolarHBondContact O-CB 3.2Å; G102-I121 WeakPolarHBondContact O-CG2 3.32Å; G104-I121 WeakPolarHBondContact CA-O 3.41Å; G104-I121 PolarHBondContact N-O 3.06Å; E105-I121 HydrophobicContact CB-CG1 4.17Å; E105-I121 PolarHBondContact O-N 2.92Å; V107-I121 HydrophobicContact CB-CD1 4.45Å; V107-I121 HydrophobicContact CG1-CD1 3.9Å; V107-I121 HydrophobicContact CG1-CG1 3.96Å; V107-I121 HydrophobicContact CG2-CD1 3.71Å; V107-I121 HydrophobicContact CG2-CG1 4.4Å; I121-R137 HydrophobicContact CD1-CB 3.77Å; I121-R137 HydrophobicContact CD1-CG 4.16Å; I121-R137 HydrophobicContact CG2-CB 4.15Å; I121-R137 HydrophobicContact CG2-CG 4.42Å; I121-W138 WeakPolarHBondContact CA-O 3.4Å; I121-V139 HydrophobicContact CD1-CG2 3.9Å; I121-L155 HydrophobicContact CD1-CD1 4Å
122	V	91.8	Very high	83.5	Confident	2 Å²	2	65 Å²	65	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	164.9	176.8	-63.1	0	0	0	0	108.7	Y95 R120 M126 T127 W138 M140 F147	Y95-V122 WeakPolarHBondContact CE2-O 3.47Å; Y95-V122 PolarHBondContact OH-O 3.24Å; R120-V122 PolarHBondContact O-N 3.3Å; V122-M126 HydrophobicContact CB-SD 4.18Å; V122-M126 HydrophobicContact CG1-SD 4.24Å; V122-T127 HydrophobicContact CG2-CG2 4.26Å; V122-W138 HydrophobicContact CG2-CB 3.95Å; V122-W138 PolarHBondContact N-O 2.99Å; V122-W138 WeakPolarHBondContact O-CB 3.4Å; V122-M140 HydrophobicContact CG1-CB 3.73Å; V122-M140 HydrophobicContact CG1-SD 4.37Å; V122-M140 HydrophobicContact CG2-CB 4.14Å; V122-F147 HydrophobicContact CG2-CD1 3.84Å; V122-F147 HydrophobicContact CG2-CE1 3.94Å
123	S	87.1	Confident	83.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.			trans	-79.2	154.2	171.2	175.2	0	0	0	0	113.6	E94 W125 M126	E94-S123 WeakPolarHBondContact OE1-CA 3.48Å; E94-S123 PolarHBondContact OE1-OG 2.99Å; E94-S123 WeakPolarHBondContact OE2-CA 3.35Å; E94-S123 WeakPolarHBondContact OE2-CB 3.46Å; E94-S123 PolarHBondContact OE2-OG 3Å; S123-W125 VanDerWaalsContact C-N 3.25Å; S123-W125 VanDerWaalsContact CB-NE1 3.32Å; S123-W125 PolarHBondContact O-N 3.02Å; S123-W125 WeakPolarHBondContact OG-CH2 3.33Å; S123-W125 WeakPolarHBondContact OG-CZ2 3.21Å; S123-W125 WeakPolarHBondContact OG-CZ3 3.39Å; S123-W125 PolarHBondContact OG-N 3.24Å; S123-W125 VanDerWaalsContact OG-N 3.12Å; S123-M126 PolarHBondContact O-N 3.09Å
124	W	78.8	Confident	83.4	Confident	86 Å²	86	57.7 Å²	57.7	33%	0.326	29%	0.293	S	S	.	.	H	α-helix	trans	-48.5	-35.8	163	71.7	-91.7	0	0	0	115.3	E94 M126 T127 G128 R131	E94-W124 VanDerWaalsContact OE1-CD1 3.28Å; E94-W124 PolarHBondContact OE1-N 3.37Å; W124-M126 VanDerWaalsContact C-N 3.32Å; W124-M126 PolarHBondContact O-N 2.7Å; W124-T127 WeakPolarHBondContact O-CB 3.39Å; W124-T127 PolarHBondContact O-N 3.12Å; W124-T127 PolarHBondContact O-OG1 2.87Å; W124-G128 PolarHBondContact O-N 3.41Å; W124-R131 HydrophobicContact CG-CB 4.18Å; W124-R131 HydrophobicContact CG-CG 4.47Å
125	W	76.3	Confident	83.4	Confident	60 Å²	60	52.9 Å²	52.9	23%	0.227	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-35.7	-179.7	50.7	75.3	0	0	0	112.4	E94 I103 S123 T127 G128 P242 Y243	E94-W125 HydrophobicContact CB-CH2 4.28Å; E94-W125 HydrophobicContact CB-CZ3 4.38Å; E94-W125 WeakPolarHBondContact OE2-CH2 3.36Å; E94-W125 WeakPolarHBondContact OE2-CZ3 3.3Å; I103-W125 HydrophobicContact CD1-CH2 3.58Å; I103-W125 HydrophobicContact CD1-CZ2 3.75Å; S123-W125 VanDerWaalsContact C-N 3.25Å; S123-W125 VanDerWaalsContact CB-NE1 3.32Å; S123-W125 PolarHBondContact O-N 3.02Å; S123-W125 WeakPolarHBondContact OG-CH2 3.33Å; S123-W125 WeakPolarHBondContact OG-CZ2 3.21Å; S123-W125 WeakPolarHBondContact OG-CZ3 3.39Å; S123-W125 PolarHBondContact OG-N 3.24Å; S123-W125 VanDerWaalsContact OG-N 3.12Å; W125-T127 PolarHBondContact O-N 3.11Å; W125-G128 PolarHBondContact O-N 2.83Å; W125-P242 HydrophobicContact CZ2-CB 3.63Å; W125-P242 HydrophobicContact CZ2-CG 3.43Å; W125-P242 VanDerWaalsContact CZ2-CG 3.43Å; W125-Y243 AromaticContact CD2-CE1 3.9Å; W125-Y243 HydrophobicContact CD2-CE1 3.9Å; W125-Y243 HydrophobicContact CD2-CE2 4.49Å; W125-Y243 AromaticContact CD2-CZ 3.94Å; W125-Y243 HydrophobicContact CE3-CD1 4.49Å; W125-Y243 AromaticContact CE3-CE1 3.49Å; W125-Y243 HydrophobicContact CE3-CE1 3.49Å; W125-Y243 VanDerWaalsContact CE3-CE1 3.49Å; W125-Y243 AromaticContact CE3-CE2 3.88Å; W125-Y243 HydrophobicContact CE3-CE2 3.88Å; W125-Y243 AromaticContact CE3-CZ 3.17Å; W125-Y243 AromaticContact CH2-CD2 3.79Å; W125-Y243 HydrophobicContact CH2-CD2 3.79Å; W125-Y243 HydrophobicContact CH2-CE1 4.16Å; W125-Y243 AromaticContact CH2-CE2 3.03Å; W125-Y243 HydrophobicContact CH2-CE2 3.03Å; W125-Y243 AromaticContact CH2-CZ 3.32Å; W125-Y243 HydrophobicContact CZ2-CD2 4.03Å; W125-Y243 HydrophobicContact CZ2-CE1 4.45Å; W125-Y243 AromaticContact CZ2-CE2 3.7Å; W125-Y243 HydrophobicContact CZ2-CE2 3.7Å; W125-Y243 AromaticContact CZ2-CZ 3.99Å; W125-Y243 HydrophobicContact CZ3-CD2 4.24Å; W125-Y243 AromaticContact CZ3-CE1 3.72Å; W125-Y243 HydrophobicContact CZ3-CE1 3.72Å; W125-Y243 AromaticContact CZ3-CE2 3.17Å; W125-Y243 HydrophobicContact CZ3-CE2 3.17Å; W125-Y243 AromaticContact CZ3-CZ 2.88Å; W125-Y243 WeakPolarHBondContact CZ3-OH 3.08Å
126	M	73.8	Confident	83.4	Confident	102 Å²	102	52.6 Å²	52.6	50%	0.502	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-20.8	174.6	-72.6	-174.2	165.7	0	0	112.5	V122 S123 W124 P242	V122-M126 HydrophobicContact CB-SD 4.18Å; V122-M126 HydrophobicContact CG1-SD 4.24Å; S123-M126 PolarHBondContact O-N 3.09Å; W124-M126 VanDerWaalsContact C-N 3.32Å; W124-M126 PolarHBondContact O-N 2.7Å; M126-P242 HydrophobicContact CE-CB 4.39Å; M126-P242 HydrophobicContact CE-CG 4.37Å
127	T	68.9	Low	83.3	Confident	20 Å²	20	49.9 Å²	49.9	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-89.9	-15.6	179.8	74.6	0	0	0	0	113.4	V122 W124 W125 R129 W138 F147	V122-T127 HydrophobicContact CG2-CG2 4.26Å; W124-T127 WeakPolarHBondContact O-CB 3.39Å; W124-T127 PolarHBondContact O-N 3.12Å; W124-T127 PolarHBondContact O-OG1 2.87Å; W125-T127 PolarHBondContact O-N 3.11Å; T127-R129 WeakPolarHBondContact O-CG 3.24Å; T127-R129 PolarHBondContact O-N 2.91Å; T127-R129 WeakPolarHBondContact OG1-CB 3.27Å; T127-R129 PolarHBondContact OG1-N 3.35Å; T127-W138 HydrophobicContact CG2-CB 4.26Å; T127-W138 HydrophobicContact CG2-CD2 3.72Å; T127-W138 HydrophobicContact CG2-CE3 3.78Å; T127-W138 HydrophobicContact CG2-CG 3.96Å; T127-W138 HydrophobicContact CG2-CZ3 4.36Å; T127-F147 HydrophobicContact CG2-CB 4.14Å; T127-F147 HydrophobicContact CG2-CD1 3.68Å; T127-F147 HydrophobicContact CG2-CE1 4.23Å; T127-F147 HydrophobicContact CG2-CG 3.93Å
128	G	66.6	Low	83.1	Confident	74 Å²	74	49.6 Å²	49.6	76%	0.763	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	23.3	-169.8	0	0	0	0	0	113.7	W124 W125	W124-G128 PolarHBondContact O-N 3.41Å; W125-G128 PolarHBondContact O-N 2.83Å
129	R	70.8	Confident	83	Confident	160 Å²	160	49.6 Å²	49.6	60%	0.604	26%	0.262	S	S	*	.	S	Bend	trans	-127.6	173.2	-176	-58.9	179.3	-171.8	-78	0.3	111	T127 W138	T127-R129 WeakPolarHBondContact O-CG 3.24Å; T127-R129 PolarHBondContact O-N 2.91Å; T127-R129 WeakPolarHBondContact OG1-CB 3.27Å; T127-R129 PolarHBondContact OG1-N 3.35Å; R129-W138 HydrophobicContact CB-CH2 4.17Å; R129-W138 HydrophobicContact CB-CZ2 3.76Å; R129-W138 VanDerWaalsContact CD-CH2 3.48Å; R129-W138 HydrophobicContact CG-CH2 4.43Å
130	S	73.9	Confident	83	Confident	96 Å²	96	52.1 Å²	52.1	67%	0.671	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-63.9	155.7	-178.1	56.5	0	0	0	0	113.8	A132 W138	S130-A132 PolarHBondContact O-N 3.39Å; S130-W138 PolarHBondContact O-NE1 2.88Å
131	R	80.4	Confident	82.9	Confident	132 Å²	132	49.6 Å²	49.6	50%	0.498	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-49.7	136.6	174.4	-165.7	170.1	-177.5	157.1	1.8	111.1	E92 W124	E92-R131 PolarHBondContact O-NH2 3.22Å; W124-R131 HydrophobicContact CG-CB 4.18Å; W124-R131 HydrophobicContact CG-CG 4.47Å
132	A	77.6	Confident	82.9	Confident	14 Å²	14	50.8 Å²	50.8	12%	0.116	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63.5	141.2	174.8	0	0	0	0	0	109.9	Y95 S130 W138	Y95-A132 HydrophobicContact CE1-CB 4Å; S130-A132 PolarHBondContact O-N 3.39Å; A132-W138 HydrophobicContact CB-CG 4.45Å
133	A	78.9	Confident	82.7	Confident	68 Å²	68	51 Å²	51	56%	0.562	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-63.9	152.4	177.1	0	0	0	0	0	110.6	G135 T136	A133-G135 PolarHBondContact O-N 3.29Å; A133-T136 PolarHBondContact N-OG1 3.23Å; A133-T136 VanDerWaalsContact N-OG1 3.12Å; A133-T136 WeakPolarHBondContact O-CB 3.47Å; A133-T136 PolarHBondContact O-N 2.92Å; A133-T136 PolarHBondContact O-OG1 3.06Å
134	E	75.2	Confident	82.5	Confident	107 Å²	107	54 Å²	54	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130.3	178	-161.2	-162.1	124.8	0	0	111.1	D97 R99 K279	D97-E134 HydrophobicContact CB-CG 4.41Å; R99-E134 IonicContact CZ-OE1 3.64Å; R99-E134 IonicContact NE-OE1 3.2Å; R99-E134 IonicContact NH2-OE1 2.81Å; R99-E134 PolarHBondContact NH2-OE1 2.88Å; E134-K279 IonicContact OE1-NZ 3.89Å; E134-K279 PolarHBondContact OE1-NZ 3.12Å; E134-K279 VanDerWaalsContact OE2-CE 3.26Å; E134-K279 WeakPolarHBondContact OE2-CE 3.27Å; E134-K279 IonicContact OE2-NZ 2.88Å; E134-K279 PolarHBondContact OE2-NZ 3.46Å
135	G	83.2	Confident	82.8	Confident	15 Å²	15	51.3 Å²	51.3	16%	0.155	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	7.6	-172.1	0	0	0	0	0	115.3	D97 A133 V152	D97-G135 PolarHBondContact OD2-N 3.23Å; A133-G135 PolarHBondContact O-N 3.29Å; G135-V152 WeakPolarHBondContact O-CG2 3.39Å; G135-V152 PolarHBondContact O-N 3.34Å
136	T	91.4	Very high	83.4	Confident	19 Å²	19	54.7 Å²	54.7	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.4	169.3	69.9	0	0	0	0	111.1	A133 V149 V150	A133-T136 PolarHBondContact N-OG1 3.23Å; A133-T136 VanDerWaalsContact N-OG1 3.12Å; A133-T136 WeakPolarHBondContact O-CB 3.47Å; A133-T136 PolarHBondContact O-N 2.92Å; A133-T136 PolarHBondContact O-OG1 3.06Å; T136-V149 HydrophobicContact CG2-CG1 4.12Å; T136-V149 WeakPolarHBondContact OG1-CG1 3.49Å; T136-V150 CarbonylContact C-O 3.54Å; T136-V150 VanDerWaalsContact CA-O 3.28Å; T136-V150 WeakPolarHBondContact CA-O 3.37Å
137	R	92.8	Very high	84.2	Confident	1 Å²	1	53.3 Å²	53.3	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.9	176.3	-57	-63.2	179.3	-107.2	3.9	110.6	Y95 D97 G100 F101 I121 V139 V149 V150 V152 L155	Y95-R137 VanDerWaalsContact CE1-CD 3.49Å; D97-R137 VanDerWaalsContact CG-NH2 3.33Å; D97-R137 IonicContact OD1-CZ 3.78Å; D97-R137 IonicContact OD1-NH1 3.51Å; D97-R137 IonicContact OD1-NH2 3.4Å; D97-R137 PolarHBondContact OD1-NH2 2.84Å; D97-R137 IonicContact OD2-CZ 2.81Å; D97-R137 IonicContact OD2-NH1 3.99Å; D97-R137 PolarHBondContact OD2-NH1 3.26Å; D97-R137 IonicContact OD2-NH2 3.75Å; D97-R137 PolarHBondContact OD2-NH2 3.36Å; G100-R137 PolarHBondContact O-NE 2.99Å; G100-R137 PolarHBondContact O-NH2 3.48Å; F101-R137 HydrophobicContact CB-CG 4.31Å; F101-R137 WeakPolarHBondContact O-CD 3.44Å; F101-R137 PolarHBondContact O-NE 3.4Å; I121-R137 HydrophobicContact CD1-CB 3.77Å; I121-R137 HydrophobicContact CD1-CG 4.16Å; I121-R137 HydrophobicContact CG2-CB 4.15Å; I121-R137 HydrophobicContact CG2-CG 4.42Å; R137-V139 PolarHBondContact O-N 3.38Å; R137-V149 WeakPolarHBondContact O-CA 3.32Å; R137-V150 PolarHBondContact N-O 2.88Å; R137-V150 PolarHBondContact O-N 3.32Å; R137-V152 HydrophobicContact CG-CG2 4.22Å; R137-L155 HydrophobicContact CB-CD1 4.05Å; R137-L155 HydrophobicContact CG-CD1 3.96Å
138	W	93.5	Very high	85.3	Confident	21 Å²	21	54.1 Å²	54.1	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.9	162.7	-81.1	109.4	0	0	0	109.4	Y95 I121 V122 T127 R129 S130 A132 F147 V149	Y95-W138 PolarHBondContact OH-N 2.89Å; I121-W138 WeakPolarHBondContact CA-O 3.4Å; V122-W138 HydrophobicContact CG2-CB 3.95Å; V122-W138 PolarHBondContact N-O 2.99Å; V122-W138 WeakPolarHBondContact O-CB 3.4Å; T127-W138 HydrophobicContact CG2-CB 4.26Å; T127-W138 HydrophobicContact CG2-CD2 3.72Å; T127-W138 HydrophobicContact CG2-CE3 3.78Å; T127-W138 HydrophobicContact CG2-CG 3.96Å; T127-W138 HydrophobicContact CG2-CZ3 4.36Å; R129-W138 HydrophobicContact CB-CH2 4.17Å; R129-W138 HydrophobicContact CB-CZ2 3.76Å; R129-W138 VanDerWaalsContact CD-CH2 3.48Å; R129-W138 HydrophobicContact CG-CH2 4.43Å; S130-W138 PolarHBondContact O-NE1 2.88Å; A132-W138 HydrophobicContact CB-CG 4.45Å; W138-F147 HydrophobicContact CE3-CB 4.04Å; W138-F147 HydrophobicContact CZ3-CB 4.03Å; W138-V149 HydrophobicContact CD2-CG2 3.62Å; W138-V149 VanDerWaalsContact CE2-CG2 3.46Å; W138-V149 HydrophobicContact CE3-CG2 3.7Å; W138-V149 HydrophobicContact CG-CG2 4.43Å; W138-V149 HydrophobicContact CH2-CG2 3.48Å; W138-V149 VanDerWaalsContact CH2-CG2 3.48Å; W138-V149 HydrophobicContact CZ2-CG2 3.4Å; W138-V149 HydrophobicContact CZ3-CG2 3.64Å
139	V	95.6	Very high	86.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.1	177.4	-173.8	0	0	0	0	108.4	V107 R120 I121 R137 W141 F147 S148 V150 L155	V107-V139 HydrophobicContact CG2-CG1 4.13Å; R120-V139 WeakPolarHBondContact O-CA 3.38Å; I121-V139 HydrophobicContact CD1-CG2 3.9Å; R137-V139 PolarHBondContact O-N 3.38Å; V139-W141 HydrophobicContact CB-CH2 4.42Å; V139-W141 HydrophobicContact CB-CZ2 4.22Å; V139-W141 HydrophobicContact CG1-CD2 4.03Å; V139-W141 HydrophobicContact CG1-CE3 3.85Å; V139-W141 HydrophobicContact CG1-CH2 4.01Å; V139-W141 HydrophobicContact CG1-CZ2 4.15Å; V139-W141 HydrophobicContact CG1-CZ3 3.85Å; V139-F147 CarbonylContact O-C 3.57Å; V139-F147 VanDerWaalsContact O-CA 3.31Å; V139-F147 WeakPolarHBondContact O-CA 3.39Å; V139-S148 PolarHBondContact N-O 3.08Å; V139-S148 PolarHBondContact O-N 3.27Å; V139-V150 HydrophobicContact CB-CG2 4.03Å; V139-V150 HydrophobicContact CG2-CB 3.84Å; V139-V150 HydrophobicContact CG2-CG2 3.58Å; V139-L155 HydrophobicContact CG2-CD1 4.46Å; V139-L155 HydrophobicContact CG2-CD2 3.96Å
140	M	95.1	Very high	87.5	Confident	53 Å²	53	46.4 Å²	46.4	26%	0.261	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.3	165.6	-172.2	179.3	-158.3	0	0	108.5	G119 R120 V122 K146 F147	G119-M140 CarbonylContact C-O 3.6Å; G119-M140 WeakPolarHBondContact CA-O 3.34Å; R120-M140 PolarHBondContact N-O 3.46Å; R120-M140 PolarHBondContact O-N 2.98Å; V122-M140 HydrophobicContact CG1-CB 3.73Å; V122-M140 HydrophobicContact CG1-SD 4.37Å; V122-M140 HydrophobicContact CG2-CB 4.14Å; M140-K146 CarbonylContact C-O 3.58Å; M140-K146 WeakPolarHBondContact CA-O 3.41Å; M140-F147 HydrophobicContact CB-CD1 3.81Å; M140-F147 HydrophobicContact CB-CE1 3.7Å; M140-F147 HydrophobicContact CE-CE1 3.96Å; M140-F147 HydrophobicContact CE-CE2 4.35Å; M140-F147 HydrophobicContact CE-CZ 3.56Å; M140-F147 HydrophobicContact CG-CD1 3.98Å; M140-F147 HydrophobicContact CG-CE1 3.55Å; M140-F147 HydrophobicContact CG-CZ 4.07Å; M140-F147 HydrophobicContact SD-CE1 3.75Å; M140-F147 HydrophobicContact SD-CZ 3.99Å
141	W	95.6	Very high	88.4	Confident	11 Å²	11	44.5 Å²	44.5	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.2	-176.2	-56.7	108.8	0	0	0	111.6	L111 W117 V139 G145 K146 S148 V150	L111-W141 HydrophobicContact CD1-CH2 4.31Å; L111-W141 HydrophobicContact CD1-CZ2 3.68Å; L111-W141 HydrophobicContact CD2-CH2 4.43Å; L111-W141 HydrophobicContact CD2-CZ2 3.91Å; L111-W141 HydrophobicContact CG-CH2 4.1Å; L111-W141 HydrophobicContact CG-CZ2 3.8Å; W117-W141 HydrophobicContact CB-CE3 4.1Å; W117-W141 HydrophobicContact CB-CZ3 4.11Å; W117-W141 AromaticContact CD1-CE3 3.95Å; W117-W141 HydrophobicContact CG-CE3 4.37Å; W117-W141 WeakPolarHBondContact O-CZ3 3.38Å; V139-W141 HydrophobicContact CB-CH2 4.42Å; V139-W141 HydrophobicContact CB-CZ2 4.22Å; V139-W141 HydrophobicContact CG1-CD2 4.03Å; V139-W141 HydrophobicContact CG1-CE3 3.85Å; V139-W141 HydrophobicContact CG1-CH2 4.01Å; V139-W141 HydrophobicContact CG1-CZ2 4.15Å; V139-W141 HydrophobicContact CG1-CZ3 3.85Å; W141-G145 VanDerWaalsContact O-CA 3.27Å; W141-G145 WeakPolarHBondContact O-CA 3.49Å; W141-G145 PolarHBondContact O-N 3.49Å; W141-K146 VanDerWaalsContact CD1-O 3.23Å; W141-K146 PolarHBondContact N-O 3.44Å; W141-S148 VanDerWaalsContact NE1-CB 3.33Å; W141-S148 PolarHBondContact NE1-OG 3.28Å; W141-V150 HydrophobicContact CH2-CG2 3.9Å; W141-V150 HydrophobicContact CZ2-CG2 3.56Å
142	F	92.8	Very high	88.8	Confident	26 Å²	26	39.4 Å²	39.4	11%	0.114	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	150.5	170.5	-70.2	-79.6	0	0	0	110.4	L106 W117 P118 R120 A179 E182 V183 V186	L106-F142 HydrophobicContact CD2-CE2 3.9Å; L106-F142 HydrophobicContact CD2-CZ 3.88Å; W117-F142 PolarHBondContact NE1-O 3.49Å; P118-F142 HydrophobicContact CB-CD2 4.37Å; P118-F142 HydrophobicContact CG-CB 4.37Å; P118-F142 PolarHBondContact O-N 3.34Å; P118-F142 VanDerWaalsContact O-N 3.11Å; R120-F142 HydrophobicContact CB-CE2 4Å; R120-F142 HydrophobicContact CB-CZ 4.15Å; F142-A179 VanDerWaalsContact C-CB 3.48Å; F142-A179 HydrophobicContact CB-CB 4.06Å; F142-A179 WeakPolarHBondContact CB-O 3.42Å; F142-A179 WeakPolarHBondContact O-CB 3.5Å; F142-E182 HydrophobicContact CB-CB 4.28Å; F142-E182 HydrophobicContact CD1-CB 3.67Å; F142-E182 HydrophobicContact CE1-CB 4.45Å; F142-E182 HydrophobicContact CG-CB 4.34Å; F142-V183 HydrophobicContact CD1-CB 4.47Å; F142-V183 HydrophobicContact CD2-CB 3.65Å; F142-V183 HydrophobicContact CD2-CG2 3.74Å; F142-V183 HydrophobicContact CE2-CB 3.91Å; F142-V183 HydrophobicContact CE2-CG2 3.58Å; F142-V183 HydrophobicContact CG-CB 3.96Å; F142-V183 HydrophobicContact CZ-CB 4.4Å; F142-V183 HydrophobicContact CZ-CG2 4.23Å; F142-V186 HydrophobicContact CE1-CG2 3.97Å; F142-V186 HydrophobicContact CZ-CG2 4.2Å
143	G	89.6	Confident	89.4	Confident	7 Å²	7	47.5 Å²	47.5	7%	0.072	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-58.6	-177.2	0	0	0	0	0	113.3	K178 E182	G143-K178 PolarHBondContact O-NZ 3.03Å; G143-E182 WeakPolarHBondContact CA-OE2 3.26Å; G143-E182 PolarHBondContact N-OE2 3.27Å
144	D	81.4	Confident	90.1	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-8.7	-177.4	83.4	-10.8	0	0	0	115.1	K146 M175	D144-K146 PolarHBondContact O-N 3.07Å; D144-K146 WeakPolarHBondContact OD1-CB 3.41Å; D144-K146 PolarHBondContact OD1-N 2.83Å; D144-K146 VanDerWaalsContact OD1-N 3.08Å; D144-K146 WeakPolarHBondContact OD2-CD 3.4Å; D144-K146 VanDerWaalsContact OD2-CE 3.22Å; D144-K146 WeakPolarHBondContact OD2-CE 3.21Å; D144-K146 WeakPolarHBondContact OD2-CG 3.4Å; D144-K146 IonicContact OD2-NZ 3.83Å; D144-K146 PolarHBondContact OD2-NZ 2.8Å; D144-M175 HydrophobicContact CB-CE 4.41Å; D144-M175 HydrophobicContact CB-SD 4.07Å
145	G	86.1	Confident	91.1	Very high	31 Å²	31	44.8 Å²	44.8	32%	0.32	24%	0.237	S	C	.	.			trans	70.6	10.4	174.4	0	0	0	0	0	115	W141	W141-G145 VanDerWaalsContact O-CA 3.27Å; W141-G145 WeakPolarHBondContact O-CA 3.49Å; W141-G145 PolarHBondContact O-N 3.49Å
146	K	89.1	Confident	91.7	Very high	131 Å²	131	46 Å²	46	57%	0.57	24%	0.24	S	C	*	.			trans	-74.7	159.7	-179.7	-69.6	-175	-165.8	131.7	0	112	M140 W141 D144	M140-K146 CarbonylContact C-O 3.58Å; M140-K146 WeakPolarHBondContact CA-O 3.41Å; W141-K146 VanDerWaalsContact CD1-O 3.23Å; W141-K146 PolarHBondContact N-O 3.44Å; D144-K146 PolarHBondContact O-N 3.07Å; D144-K146 WeakPolarHBondContact OD1-CB 3.41Å; D144-K146 PolarHBondContact OD1-N 2.83Å; D144-K146 VanDerWaalsContact OD1-N 3.08Å; D144-K146 WeakPolarHBondContact OD2-CD 3.4Å; D144-K146 VanDerWaalsContact OD2-CE 3.22Å; D144-K146 WeakPolarHBondContact OD2-CE 3.21Å; D144-K146 WeakPolarHBondContact OD2-CG 3.4Å; D144-K146 IonicContact OD2-NZ 3.83Å; D144-K146 PolarHBondContact OD2-NZ 2.8Å
147	F	89.8	Confident	91.9	Very high	73 Å²	73	47.5 Å²	47.5	32%	0.32	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.2	178.8	-56.9	-86	0	0	0	111.2	V122 T127 W138 V139 M140	V122-F147 HydrophobicContact CG2-CD1 3.84Å; V122-F147 HydrophobicContact CG2-CE1 3.94Å; T127-F147 HydrophobicContact CG2-CB 4.14Å; T127-F147 HydrophobicContact CG2-CD1 3.68Å; T127-F147 HydrophobicContact CG2-CE1 4.23Å; T127-F147 HydrophobicContact CG2-CG 3.93Å; W138-F147 HydrophobicContact CE3-CB 4.04Å; W138-F147 HydrophobicContact CZ3-CB 4.03Å; V139-F147 CarbonylContact O-C 3.57Å; V139-F147 VanDerWaalsContact O-CA 3.31Å; V139-F147 WeakPolarHBondContact O-CA 3.39Å; M140-F147 HydrophobicContact CB-CD1 3.81Å; M140-F147 HydrophobicContact CB-CE1 3.7Å; M140-F147 HydrophobicContact CE-CE1 3.96Å; M140-F147 HydrophobicContact CE-CE2 4.35Å; M140-F147 HydrophobicContact CE-CZ 3.56Å; M140-F147 HydrophobicContact CG-CD1 3.98Å; M140-F147 HydrophobicContact CG-CE1 3.55Å; M140-F147 HydrophobicContact CG-CZ 4.07Å; M140-F147 HydrophobicContact SD-CE1 3.75Å; M140-F147 HydrophobicContact SD-CZ 3.99Å
148	S	92.3	Very high	92.1	Very high	36 Å²	36	47.5 Å²	47.5	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	149	171.3	-58.3	0	0	0	0	110.8	V139 W141	V139-S148 PolarHBondContact N-O 3.08Å; V139-S148 PolarHBondContact O-N 3.27Å; W141-S148 VanDerWaalsContact NE1-CB 3.33Å; W141-S148 PolarHBondContact NE1-OG 3.28Å
149	V	92.8	Very high	92	Very high	67 Å²	67	48.4 Å²	48.4	41%	0.406	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.9	168.4	-178.1	0	0	0	0	108.2	T136 R137 W138	T136-V149 HydrophobicContact CG2-CG1 4.12Å; T136-V149 WeakPolarHBondContact OG1-CG1 3.49Å; R137-V149 WeakPolarHBondContact O-CA 3.32Å; W138-V149 HydrophobicContact CD2-CG2 3.62Å; W138-V149 VanDerWaalsContact CE2-CG2 3.46Å; W138-V149 HydrophobicContact CE3-CG2 3.7Å; W138-V149 HydrophobicContact CG-CG2 4.43Å; W138-V149 HydrophobicContact CH2-CG2 3.48Å; W138-V149 VanDerWaalsContact CH2-CG2 3.48Å; W138-V149 HydrophobicContact CZ2-CG2 3.4Å; W138-V149 HydrophobicContact CZ3-CG2 3.64Å
150	V	91.3	Very high	92	Very high	5 Å²	5	50 Å²	50	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.3	-176.7	-170.7	0	0	0	0	109.5	T136 R137 V139 W141 K154 L155	T136-V150 CarbonylContact C-O 3.54Å; T136-V150 VanDerWaalsContact CA-O 3.28Å; T136-V150 WeakPolarHBondContact CA-O 3.37Å; R137-V150 PolarHBondContact N-O 2.88Å; R137-V150 PolarHBondContact O-N 3.32Å; V139-V150 HydrophobicContact CB-CG2 4.03Å; V139-V150 HydrophobicContact CG2-CB 3.84Å; V139-V150 HydrophobicContact CG2-CG2 3.58Å; W141-V150 HydrophobicContact CH2-CG2 3.9Å; W141-V150 HydrophobicContact CZ2-CG2 3.56Å; V150-K154 HydrophobicContact CG1-CB 3.86Å; V150-L155 HydrophobicContact CB-CD2 3.94Å; V150-L155 HydrophobicContact CB-CG 4.38Å; V150-L155 HydrophobicContact CG1-CD2 3.56Å; V150-L155 HydrophobicContact CG1-CG 3.96Å
151	C	91.4	Very high	91.9	Very high	56 Å²	56	47.5 Å²	47.5	38%	0.378	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	139.4	172.5	-56.8	0	0	0	0	110	E153 K154	C151-E153 PolarHBondContact O-N 3.14Å; C151-E153 VanDerWaalsContact O-N 3.14Å; C151-K154 WeakPolarHBondContact O-CA 3.38Å; C151-K154 WeakPolarHBondContact O-CB 3.46Å; C151-K154 PolarHBondContact O-N 2.96Å
152	V	90.3	Very high	91.6	Very high	25 Å²	25	51.5 Å²	51.5	15%	0.152	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52.5	-36.6	177.7	165.2	0	0	0	0	112.1	R99 F101 G135 R137 K154 L155	R99-V152 HydrophobicContact CB-CG1 4.48Å; R99-V152 HydrophobicContact CB-CG2 4.45Å; R99-V152 WeakPolarHBondContact O-CG1 3.31Å; F101-V152 HydrophobicContact CD2-CG1 4.06Å; F101-V152 HydrophobicContact CE2-CG1 4.15Å; G135-V152 WeakPolarHBondContact O-CG2 3.39Å; G135-V152 PolarHBondContact O-N 3.34Å; R137-V152 HydrophobicContact CG-CG2 4.22Å; V152-K154 PolarHBondContact O-N 3.07Å; V152-K154 VanDerWaalsContact O-N 3.17Å; V152-L155 WeakPolarHBondContact O-CB 3.4Å; V152-L155 PolarHBondContact O-N 3.34Å
153	E	90.4	Very high	91.5	Very high	184 Å²	184	54.4 Å²	54.4	86%	0.86	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.6	176.9	-63.7	169.1	-171.3	0	0	114.1	C151	C151-E153 PolarHBondContact O-N 3.14Å; C151-E153 VanDerWaalsContact O-N 3.14Å
154	K	93.6	Very high	91.7	Very high	108 Å²	108	54.2 Å²	54.2	47%	0.47	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-100.4	12.3	176.1	-64	-177.7	179.8	175.3	0	112	G109 K110 W116 V150 C151 V152	G109-K154 WeakPolarHBondContact CA-O 3.5Å; K110-K154 HydrophobicContact CB-CB 4.39Å; K110-K154 PolarHBondContact N-O 3.34Å; W116-K154 VanDerWaalsContact CZ3-O 3.29Å; W116-K154 WeakPolarHBondContact CZ3-O 3.38Å; V150-K154 HydrophobicContact CG1-CB 3.86Å; C151-K154 WeakPolarHBondContact O-CA 3.38Å; C151-K154 WeakPolarHBondContact O-CB 3.46Å; C151-K154 PolarHBondContact O-N 2.96Å; V152-K154 PolarHBondContact O-N 3.07Å; V152-K154 VanDerWaalsContact O-N 3.17Å
155	L	95.6	Very high	92.3	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.4	176.1	-60.7	177.5	0	0	0	110.4	F101 V107 W108 I121 R137 V139 V150 V152	F101-L155 HydrophobicContact CD2-CB 4.14Å; F101-L155 HydrophobicContact CD2-CD1 4.32Å; F101-L155 HydrophobicContact CE2-CB 3.84Å; F101-L155 HydrophobicContact CG-CD1 4.49Å; F101-L155 HydrophobicContact CZ-CB 4.07Å; V107-L155 HydrophobicContact CB-CD2 4.47Å; V107-L155 HydrophobicContact CG2-CD2 4.11Å; W108-L155 CarbonylContact O-C 3.5Å; W108-L155 VanDerWaalsContact O-CA 3.27Å; W108-L155 WeakPolarHBondContact O-CA 2.78Å; I121-L155 HydrophobicContact CD1-CD1 4Å; R137-L155 HydrophobicContact CB-CD1 4.05Å; R137-L155 HydrophobicContact CG-CD1 3.96Å; V139-L155 HydrophobicContact CG2-CD1 4.46Å; V139-L155 HydrophobicContact CG2-CD2 3.96Å; V150-L155 HydrophobicContact CB-CD2 3.94Å; V150-L155 HydrophobicContact CB-CG 4.38Å; V150-L155 HydrophobicContact CG1-CD2 3.56Å; V150-L155 HydrophobicContact CG1-CG 3.96Å; V152-L155 WeakPolarHBondContact O-CB 3.4Å; V152-L155 PolarHBondContact O-N 3.34Å
156	M	95.3	Very high	92.6	Very high	42 Å²	42	55.1 Å²	55.1	21%	0.207	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149	167.5	-65.3	-171.9	-57.6	0	0	108.5	V107 W108 W116 A164	V107-M156 CarbonylContact C-O 3.49Å; V107-M156 VanDerWaalsContact CA-O 3.27Å; V107-M156 WeakPolarHBondContact CA-O 3.35Å; V107-M156 WeakPolarHBondContact CB-O 3.47Å; W108-M156 HydrophobicContact CB-CB 4.27Å; W108-M156 HydrophobicContact CB-CE 4.47Å; W108-M156 PolarHBondContact N-O 2.93Å; W108-M156 PolarHBondContact O-N 3.19Å; W116-M156 HydrophobicContact CD2-CE 3.59Å; W116-M156 HydrophobicContact CE3-CE 3.68Å; W116-M156 HydrophobicContact CG-CE 4.25Å; W116-M156 HydrophobicContact CH2-CE 3.68Å; W116-M156 HydrophobicContact CH2-CG 3.75Å; W116-M156 HydrophobicContact CH2-SD 3.94Å; W116-M156 HydrophobicContact CZ2-CE 3.6Å; W116-M156 HydrophobicContact CZ2-CG 4.46Å; W116-M156 HydrophobicContact CZ2-SD 4.05Å; W116-M156 HydrophobicContact CZ3-CB 4.38Å; W116-M156 HydrophobicContact CZ3-CE 3.7Å; W116-M156 HydrophobicContact CZ3-CG 3.86Å; W116-M156 HydrophobicContact CZ3-SD 4.35Å; M156-A164 HydrophobicContact CE-CB 3.63Å
157	P	95.8	Very high	92.6	Very high	49 Å²	49	53.4 Å²	53.4	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	147.5	175.6	28.2	-33.8	0	0	0	110	F101 S159 S160	F101-P157 HydrophobicContact CE1-CB 4.12Å; P157-S159 WeakPolarHBondContact CB-OG 3.22Å; P157-S159 WeakPolarHBondContact CG-OG 3.44Å; P157-S159 PolarHBondContact O-N 2.88Å; P157-S160 VanDerWaalsContact O-CB 3.32Å; P157-S160 WeakPolarHBondContact O-CB 3.22Å; P157-S160 PolarHBondContact O-N 3.39Å; P157-S160 PolarHBondContact O-OG 2.99Å
158	L	96.4	Very high	92.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-54.6	-29.7	179.1	-175.9	71.2	0	0	0	112.5	L106 W108 S160 F161 V183 A187 F225 L233	L106-L158 HydrophobicContact CB-CB 3.75Å; L106-L158 HydrophobicContact CB-CD2 3.73Å; L106-L158 HydrophobicContact CB-CG 4.3Å; L106-L158 HydrophobicContact CD1-CD2 3.62Å; L106-L158 HydrophobicContact CG-CD2 4.31Å; L106-L158 WeakPolarHBondContact O-CB 3.42Å; L106-L158 PolarHBondContact O-N 3.18Å; W108-L158 HydrophobicContact CZ2-CD1 4.24Å; W108-L158 PolarHBondContact NE1-O 3.31Å; L158-S160 PolarHBondContact O-N 3.09Å; L158-F161 HydrophobicContact CD1-CD2 4.43Å; L158-F161 PolarHBondContact O-N 3.04Å; L158-F161 VanDerWaalsContact O-N 3.07Å; L158-V183 HydrophobicContact CD1-CG1 4.28Å; L158-V183 HydrophobicContact CD1-CG2 3.76Å; L158-V183 HydrophobicContact CD2-CG2 3.71Å; L158-V183 HydrophobicContact CG-CG2 4.39Å; L158-A187 HydrophobicContact CD2-CB 4.03Å; L158-F225 HydrophobicContact CD2-CE1 4.45Å; L158-F225 HydrophobicContact CD2-CZ 4.3Å; L158-F225 HydrophobicContact CG-CZ 4.06Å; L158-L233 HydrophobicContact CB-CD1 4.31Å; L158-L233 HydrophobicContact CD2-CD1 4.31Å; L158-L233 HydrophobicContact CG-CD1 4.47Å
159	S	92.8	Very high	92.3	Very high	39 Å²	39	51 Å²	51	27%	0.273	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-53.8	-22	173.9	57.5	0	0	0	0	114.1	P157 F161	P157-S159 WeakPolarHBondContact CB-OG 3.22Å; P157-S159 WeakPolarHBondContact CG-OG 3.44Å; P157-S159 PolarHBondContact O-N 2.88Å; S159-F161 PolarHBondContact O-N 2.82Å
160	S	94.4	Very high	92.2	Very high	34 Å²	34	48.3 Å²	48.3	24%	0.238	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-78.4	30.7	172.3	-51.8	0	0	0	0	112.7	P157 L158 C162 S163 A164	P157-S160 VanDerWaalsContact O-CB 3.32Å; P157-S160 WeakPolarHBondContact O-CB 3.22Å; P157-S160 PolarHBondContact O-N 3.39Å; P157-S160 PolarHBondContact O-OG 2.99Å; L158-S160 PolarHBondContact O-N 3.09Å; S160-C162 VanDerWaalsContact C-N 3.3Å; S160-C162 PolarHBondContact O-N 3.48Å; S160-S163 PolarHBondContact O-N 3.47Å; S160-S163 PolarHBondContact O-OG 3Å; S160-A164 WeakPolarHBondContact O-CB 3.43Å; S160-A164 PolarHBondContact O-N 3.19Å
161	F	94	Very high	91.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58	-41.8	-173	-165.1	-81.3	0	0	0	112	W108 L158 S159 S163 A164 F165 I180 L184 I218 A221 L222 F225	W108-F161 HydrophobicContact CH2-CD2 4.38Å; W108-F161 HydrophobicContact CH2-CE2 4.2Å; W108-F161 AromaticContact CZ2-CD2 3.47Å; W108-F161 HydrophobicContact CZ2-CD2 3.47Å; W108-F161 VanDerWaalsContact CZ2-CD2 3.47Å; W108-F161 AromaticContact CZ2-CE2 3.71Å; W108-F161 HydrophobicContact CZ2-CE2 3.71Å; W108-F161 HydrophobicContact CZ2-CG 4.03Å; W108-F161 HydrophobicContact CZ2-CZ 4.46Å; L158-F161 HydrophobicContact CD1-CD2 4.43Å; L158-F161 PolarHBondContact O-N 3.04Å; L158-F161 VanDerWaalsContact O-N 3.07Å; S159-F161 PolarHBondContact O-N 2.82Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 3.48Å; F161-A164 PolarHBondContact O-N 3.39Å; F161-F165 HydrophobicContact CD1-CB 3.76Å; F161-F165 HydrophobicContact CD1-CG 4.2Å; F161-F165 HydrophobicContact CE1-CB 3.55Å; F161-F165 AromaticContact CE1-CD1 3.98Å; F161-F165 HydrophobicContact CE1-CD1 3.98Å; F161-F165 AromaticContact CE1-CD2 3.73Å; F161-F165 HydrophobicContact CE1-CD2 3.73Å; F161-F165 HydrophobicContact CE1-CE2 4.42Å; F161-F165 AromaticContact CE1-CG 3.48Å; F161-F165 HydrophobicContact CE1-CG 3.48Å; F161-F165 VanDerWaalsContact CE1-CG 3.48Å; F161-F165 HydrophobicContact CE2-CD2 4.45Å; F161-F165 HydrophobicContact CG-CB 4.43Å; F161-F165 HydrophobicContact CZ-CB 4.06Å; F161-F165 AromaticContact CZ-CD2 3.57Å; F161-F165 HydrophobicContact CZ-CD2 3.57Å; F161-F165 HydrophobicContact CZ-CE2 4.14Å; F161-F165 AromaticContact CZ-CG 3.84Å; F161-F165 HydrophobicContact CZ-CG 3.84Å; F161-F165 WeakPolarHBondContact O-CB 3.45Å; F161-F165 PolarHBondContact O-N 3.49Å; F161-I180 HydrophobicContact CE2-CD1 4.39Å; F161-I180 HydrophobicContact CZ-CG2 4.23Å; F161-L184 HydrophobicContact CD2-CD2 4.29Å; F161-L184 HydrophobicContact CE2-CD1 4.21Å; F161-L184 HydrophobicContact CE2-CD2 3.85Å; F161-L184 HydrophobicContact CE2-CG 4.25Å; F161-L184 HydrophobicContact CZ-CD1 4.22Å; F161-I218 HydrophobicContact CE1-CG2 4.16Å; F161-I218 HydrophobicContact CZ-CG1 4.43Å; F161-A221 HydrophobicContact CB-CB 4.24Å; F161-A221 HydrophobicContact CD1-CB 3.68Å; F161-A221 HydrophobicContact CD2-CB 3.65Å; F161-A221 HydrophobicContact CE1-CB 3.9Å; F161-A221 HydrophobicContact CE2-CB 3.88Å; F161-A221 HydrophobicContact CG-CB 3.58Å; F161-A221 HydrophobicContact CZ-CB 3.99Å; F161-L222 HydrophobicContact CD1-CD2 3.96Å; F161-L222 HydrophobicContact CD1-CG 4.15Å; F161-L222 HydrophobicContact CE1-CD2 4.29Å; F161-L222 HydrophobicContact CE1-CG 4.24Å; F161-F225 HydrophobicContact CB-CE2 3.83Å; F161-F225 HydrophobicContact CB-CZ 3.94Å; F161-F225 AromaticContact CD2-CZ 3.98Å; F161-F225 HydrophobicContact CD2-CZ 3.98Å; F161-F225 HydrophobicContact CG-CZ 4.23Å
162	C	89.5	Confident	91.5	Very high	96 Å²	96	57.5 Å²	57.5	65%	0.649	31%	0.309	S	S	*	.	H	α-helix	trans	-60.3	-34.4	-179.8	-170.9	0	0	0	0	113.6	S160 L222	S160-C162 VanDerWaalsContact C-N 3.3Å; S160-C162 PolarHBondContact O-N 3.48Å; C162-L222 HydrophobicContact CB-CD2 4.35Å
163	S	90	Very high	91.2	Very high	87 Å²	87	60.2 Å²	60.2	61%	0.608	32%	0.321	S	S	*	.	H	α-helix	trans	-90.2	-29.3	-179.9	57.7	0	0	0	0	113.5	S160 F161	S160-S163 PolarHBondContact O-N 3.47Å; S160-S163 PolarHBondContact O-OG 3Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 3.48Å
164	A	92.9	Very high	91	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-91.8	-31.7	-175	0	0	0	0	0	113.5	W108 W116 M156 S160 F161 H166	W108-A164 HydrophobicContact CB-CB 4.01Å; W108-A164 HydrophobicContact CD2-CB 3.36Å; W108-A164 VanDerWaalsContact CE2-CB 3.49Å; W108-A164 HydrophobicContact CE3-CB 3.92Å; W108-A164 HydrophobicContact CG-CB 3.39Å; W108-A164 HydrophobicContact CZ2-CB 4.11Å; W108-A164 HydrophobicContact CZ3-CB 4.48Å; W116-A164 HydrophobicContact CB-CB 4.1Å; W116-A164 WeakPolarHBondContact CB-O 3.45Å; W116-A164 HydrophobicContact CG-CB 4.31Å; M156-A164 HydrophobicContact CE-CB 3.63Å; S160-A164 WeakPolarHBondContact O-CB 3.43Å; S160-A164 PolarHBondContact O-N 3.19Å; F161-A164 PolarHBondContact O-N 3.39Å; A164-H166 PolarHBondContact O-N 2.91Å
165	F	94.4	Very high	90.7	Very high	23 Å²	23	55.4 Å²	55.4	10%	0.101	31%	0.309	C	S	.	.			trans	-67	116.7	-175	176.4	-108.1	0	0	0	111.8	W108 F161 Q167 Y170 Y176 I180 I218	W108-F165 HydrophobicContact CH2-CB 4.14Å; W108-F165 HydrophobicContact CH2-CD2 4.28Å; W108-F165 HydrophobicContact CZ2-CB 4.28Å; F161-F165 HydrophobicContact CD1-CB 3.76Å; F161-F165 HydrophobicContact CD1-CG 4.2Å; F161-F165 HydrophobicContact CE1-CB 3.55Å; F161-F165 AromaticContact CE1-CD1 3.98Å; F161-F165 HydrophobicContact CE1-CD1 3.98Å; F161-F165 AromaticContact CE1-CD2 3.73Å; F161-F165 HydrophobicContact CE1-CD2 3.73Å; F161-F165 HydrophobicContact CE1-CE2 4.42Å; F161-F165 AromaticContact CE1-CG 3.48Å; F161-F165 HydrophobicContact CE1-CG 3.48Å; F161-F165 VanDerWaalsContact CE1-CG 3.48Å; F161-F165 HydrophobicContact CE2-CD2 4.45Å; F161-F165 HydrophobicContact CG-CB 4.43Å; F161-F165 HydrophobicContact CZ-CB 4.06Å; F161-F165 AromaticContact CZ-CD2 3.57Å; F161-F165 HydrophobicContact CZ-CD2 3.57Å; F161-F165 HydrophobicContact CZ-CE2 4.14Å; F161-F165 AromaticContact CZ-CG 3.84Å; F161-F165 HydrophobicContact CZ-CG 3.84Å; F161-F165 WeakPolarHBondContact O-CB 3.45Å; F161-F165 PolarHBondContact O-N 3.49Å; F165-Q167 HydrophobicContact CE1-CB 4.39Å; F165-Y170 AromaticContact CE2-CD2 3.74Å; F165-Y170 HydrophobicContact CE2-CD2 3.74Å; F165-Y170 AromaticContact CE2-CG 3.99Å; F165-Y170 HydrophobicContact CE2-CG 3.99Å; F165-Y170 HydrophobicContact CZ-CD1 4.33Å; F165-Y170 AromaticContact CZ-CD2 3.89Å; F165-Y170 HydrophobicContact CZ-CD2 3.89Å; F165-Y170 AromaticContact CZ-CG 3.74Å; F165-Y170 HydrophobicContact CZ-CG 3.74Å; F165-Y176 HydrophobicContact CD2-CE1 4.21Å; F165-Y176 HydrophobicContact CE2-CE1 4.07Å; F165-I180 HydrophobicContact CD2-CD1 3.84Å; F165-I180 HydrophobicContact CD2-CG1 4.3Å; F165-I180 HydrophobicContact CE2-CD1 4.1Å; F165-I180 HydrophobicContact CE2-CG1 4.05Å; F165-I180 HydrophobicContact CE2-CG2 4.17Å; F165-I218 HydrophobicContact CE1-CG2 4.14Å; F165-I218 HydrophobicContact CE2-CD1 4.47Å; F165-I218 HydrophobicContact CZ-CD1 4.12Å; F165-I218 HydrophobicContact CZ-CG2 4.23Å
166	H	92.6	Very high	90.5	Very high	88 Å²	88	54.9 Å²	54.9	41%	0.407	31%	0.306	S	S	.	.			trans	-99.2	97.9	-179.2	-163.4	-108.1	0	0	0	112.5	S115 A164 A168 T169 Y170 Y176	S115-H166 PolarHBondContact OG-ND1 3.32Å; A164-H166 PolarHBondContact O-N 2.91Å; H166-A168 VanDerWaalsContact C-N 3.3Å; H166-A168 PolarHBondContact O-N 3.09Å; H166-T169 PolarHBondContact ND1-N 3.1Å; H166-T169 PolarHBondContact ND1-OG1 3.47Å; H166-T169 PolarHBondContact O-N 2.99Å; H166-T169 VanDerWaalsContact O-N 3.07Å; H166-Y170 PolarHBondContact O-N 3.25Å; H166-Y176 PolarHBondContact N-OH 3.05Å
167	Q	89.9	Confident	90.2	Very high	96 Å²	96	55.7 Å²	55.7	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-54.4	-40.4	-177.7	-172.9	70.3	57.5	0	0	113.3	F165 T169 Y170 N171	F165-Q167 HydrophobicContact CE1-CB 4.39Å; Q167-T169 VanDerWaalsContact C-N 3.32Å; Q167-T169 PolarHBondContact O-N 3.3Å; Q167-Y170 WeakPolarHBondContact O-CB 3.47Å; Q167-Y170 PolarHBondContact O-N 3.47Å; Q167-N171 PolarHBondContact NE2-OD1 2.97Å; Q167-N171 VanDerWaalsContact O-CG 3.28Å; Q167-N171 PolarHBondContact O-N 2.98Å; Q167-N171 PolarHBondContact O-OD1 3.22Å
168	A	87.3	Confident	89.9	Confident	46 Å²	46	58.5 Å²	58.5	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-67.2	-33.2	-179.4	0	0	0	0	0	112.6	H166 K172	H166-A168 VanDerWaalsContact C-N 3.3Å; H166-A168 PolarHBondContact O-N 3.09Å; A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 VanDerWaalsContact O-CG 3.3Å; A168-K172 WeakPolarHBondContact O-CG 3.5Å; A168-K172 PolarHBondContact O-N 3.3Å
169	T	88.7	Confident	89.7	Confident	13 Å²	13	58.4 Å²	58.4	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-73.8	-40.5	174.8	-59.4	0	0	0	0	110.2	S115 H166 Q167 N171 K172 Q173 Y176	S115-T169 PolarHBondContact OG-OG1 3.38Å; H166-T169 PolarHBondContact ND1-N 3.1Å; H166-T169 PolarHBondContact ND1-OG1 3.47Å; H166-T169 PolarHBondContact O-N 2.99Å; H166-T169 VanDerWaalsContact O-N 3.07Å; Q167-T169 VanDerWaalsContact C-N 3.32Å; Q167-T169 PolarHBondContact O-N 3.3Å; T169-N171 VanDerWaalsContact C-N 3.31Å; T169-N171 PolarHBondContact O-N 3.31Å; T169-K172 PolarHBondContact O-N 3.03Å; T169-K172 VanDerWaalsContact O-N 3.17Å; T169-Q173 HydrophobicContact CG2-CB 4.19Å; T169-Q173 HydrophobicContact CG2-CG 4.05Å; T169-Q173 WeakPolarHBondContact O-CB 3.41Å; T169-Q173 PolarHBondContact O-N 3.33Å; T169-Y176 HydrophobicContact CG2-CD1 4.08Å; T169-Y176 HydrophobicContact CG2-CD2 3.82Å; T169-Y176 HydrophobicContact CG2-CE2 4.35Å; T169-Y176 HydrophobicContact CG2-CG 3.64Å
170	Y	89.3	Confident	89.8	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-55.2	-46	171.1	-173.6	-91.1	0	0	0	111.6	F165 H166 Q167 K172 Y176 R177 I180 N214 I218	F165-Y170 AromaticContact CE2-CD2 3.74Å; F165-Y170 HydrophobicContact CE2-CD2 3.74Å; F165-Y170 AromaticContact CE2-CG 3.99Å; F165-Y170 HydrophobicContact CE2-CG 3.99Å; F165-Y170 HydrophobicContact CZ-CD1 4.33Å; F165-Y170 AromaticContact CZ-CD2 3.89Å; F165-Y170 HydrophobicContact CZ-CD2 3.89Å; F165-Y170 AromaticContact CZ-CG 3.74Å; F165-Y170 HydrophobicContact CZ-CG 3.74Å; H166-Y170 PolarHBondContact O-N 3.25Å; Q167-Y170 WeakPolarHBondContact O-CB 3.47Å; Q167-Y170 PolarHBondContact O-N 3.47Å; Y170-K172 VanDerWaalsContact C-N 3.31Å; Y170-K172 PolarHBondContact O-N 3.21Å; Y170-Y176 HydrophobicContact CD2-CD1 4.2Å; Y170-Y176 HydrophobicContact CD2-CE1 4.47Å; Y170-R177 HydrophobicContact CD1-CG 4.29Å; Y170-R177 HydrophobicContact CD2-CB 4.23Å; Y170-R177 HydrophobicContact CD2-CG 3.82Å; Y170-R177 HydrophobicContact CE1-CG 4.25Å; Y170-R177 HydrophobicContact CE2-CB 3.88Å; Y170-R177 HydrophobicContact CE2-CG 3.79Å; Y170-R177 HydrophobicContact CG-CG 4.07Å; Y170-R177 WeakPolarHBondContact O-CD 3.43Å; Y170-R177 WeakPolarHBondContact O-CG 3.31Å; Y170-R177 PolarHBondContact O-NE 3.33Å; Y170-I180 HydrophobicContact CD2-CB 4.28Å; Y170-I180 HydrophobicContact CD2-CG1 4.21Å; Y170-I180 HydrophobicContact CD2-CG2 4.39Å; Y170-I180 HydrophobicContact CE2-CB 4.2Å; Y170-I180 HydrophobicContact CE2-CG2 4.13Å; Y170-N214 WeakPolarHBondContact OH-CB 3.3Å; Y170-N214 PolarHBondContact OH-ND2 3.39Å; Y170-I218 HydrophobicContact CD2-CD1 4.36Å; Y170-I218 HydrophobicContact CE1-CD1 4.18Å; Y170-I218 HydrophobicContact CE2-CD1 3.66Å
171	N	84	Confident	89.7	Confident	86 Å²	86	57.3 Å²	57.3	46%	0.46	30%	0.298	S	S	.	.	H	α-helix	trans	-71.3	-22.5	-179.6	-66.2	-1.2	0	0	0	113.7	Q167 T169 R177	Q167-N171 PolarHBondContact NE2-OD1 2.97Å; Q167-N171 VanDerWaalsContact O-CG 3.28Å; Q167-N171 PolarHBondContact O-N 2.98Å; Q167-N171 PolarHBondContact O-OD1 3.22Å; T169-N171 VanDerWaalsContact C-N 3.31Å; T169-N171 PolarHBondContact O-N 3.31Å; N171-R177 VanDerWaalsContact C-NH2 3.35Å; N171-R177 PolarHBondContact O-NH2 2.88Å
172	K	84.8	Confident	89.6	Confident	168 Å²	168	59.6 Å²	59.6	73%	0.73	31%	0.309	S	S	*	.	H	α-helix	trans	-104.2	-30.6	-174.4	-69.4	178	-178.7	-177.4	0	114.7	A168 T169 Y170	A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 VanDerWaalsContact O-CG 3.3Å; A168-K172 WeakPolarHBondContact O-CG 3.5Å; A168-K172 PolarHBondContact O-N 3.3Å; T169-K172 PolarHBondContact O-N 3.03Å; T169-K172 VanDerWaalsContact O-N 3.17Å; Y170-K172 VanDerWaalsContact C-N 3.31Å; Y170-K172 PolarHBondContact O-N 3.21Å
173	Q	83.8	Confident	89.9	Confident	83 Å²	83	55 Å²	55	39%	0.388	28%	0.278	S	S	.	.			trans	-113.7	109.4	-171	-63.8	-169.2	8.5	0	0	111.8	T169 M175 Y176 R177	T169-Q173 HydrophobicContact CG2-CB 4.19Å; T169-Q173 HydrophobicContact CG2-CG 4.05Å; T169-Q173 WeakPolarHBondContact O-CB 3.41Å; T169-Q173 PolarHBondContact O-N 3.33Å; Q173-M175 PolarHBondContact O-N 2.79Å; Q173-Y176 PolarHBondContact O-N 3.07Å; Q173-Y176 VanDerWaalsContact O-N 3.09Å; Q173-R177 PolarHBondContact O-N 2.68Å; Q173-R177 VanDerWaalsContact O-N 3.16Å
174	P	85.6	Confident	90.1	Very high	91 Å²	91	50.9 Å²	50.9	59%	0.591	25%	0.249	S	C	*	.	H	α-helix	trans	-57.6	-35	177.4	-25.4	34.3	0	0	0	113.4	R177 K178	P174-R177 PolarHBondContact O-N 2.85Å; P174-K178 PolarHBondContact O-N 3.12Å
175	M	86.6	Confident	90.1	Very high	99 Å²	99	54.6 Å²	54.6	49%	0.488	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178.3	-169.3	173.7	-78.7	0	0	112.2	W117 D144 Q173 K178 A179	W117-M175 HydrophobicContact CH2-CB 4.39Å; W117-M175 HydrophobicContact CH2-CG 4.33Å; W117-M175 HydrophobicContact CZ2-CG 4.06Å; D144-M175 HydrophobicContact CB-CE 4.41Å; D144-M175 HydrophobicContact CB-SD 4.07Å; Q173-M175 PolarHBondContact O-N 2.79Å; M175-K178 PolarHBondContact O-N 2.97Å; M175-A179 WeakPolarHBondContact O-CB 3.29Å; M175-A179 PolarHBondContact O-N 3.44Å
176	Y	91.8	Very high	90	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-40.1	173.7	-171.3	-95.9	0	0	0	111	W108 W116 W117 F165 H166 T169 Y170 Q173 K178 A179 I180	W108-Y176 WeakPolarHBondContact CZ3-OH 3.2Å; W116-Y176 VanDerWaalsContact O-CE2 3.29Å; W116-Y176 WeakPolarHBondContact O-CE2 3.44Å; W116-Y176 PolarHBondContact O-OH 3.48Å; W117-Y176 AromaticContact CD2-CD2 3.91Å; W117-Y176 HydrophobicContact CD2-CD2 3.91Å; W117-Y176 HydrophobicContact CD2-CE2 4.39Å; W117-Y176 AromaticContact CE3-CD2 3.54Å; W117-Y176 HydrophobicContact CE3-CD2 3.54Å; W117-Y176 HydrophobicContact CE3-CE2 4.13Å; W117-Y176 AromaticContact CH2-CD2 3.87Å; W117-Y176 HydrophobicContact CH2-CD2 3.87Å; W117-Y176 HydrophobicContact CH2-CG 4.28Å; W117-Y176 HydrophobicContact CZ2-CD2 4.2Å; W117-Y176 AromaticContact CZ3-CD2 3.53Å; W117-Y176 HydrophobicContact CZ3-CD2 3.53Å; W117-Y176 HydrophobicContact CZ3-CG 4.24Å; F165-Y176 HydrophobicContact CD2-CE1 4.21Å; F165-Y176 HydrophobicContact CE2-CE1 4.07Å; H166-Y176 PolarHBondContact N-OH 3.05Å; T169-Y176 HydrophobicContact CG2-CD1 4.08Å; T169-Y176 HydrophobicContact CG2-CD2 3.82Å; T169-Y176 HydrophobicContact CG2-CE2 4.35Å; T169-Y176 HydrophobicContact CG2-CG 3.64Å; Y170-Y176 HydrophobicContact CD2-CD1 4.2Å; Y170-Y176 HydrophobicContact CD2-CE1 4.47Å; Q173-Y176 PolarHBondContact O-N 3.07Å; Q173-Y176 VanDerWaalsContact O-N 3.09Å; Y176-K178 VanDerWaalsContact C-N 3.32Å; Y176-K178 PolarHBondContact O-N 3.23Å; Y176-A179 PolarHBondContact O-N 3.35Å; Y176-I180 HydrophobicContact CD1-CG1 3.87Å; Y176-I180 HydrophobicContact CE1-CD1 3.96Å; Y176-I180 HydrophobicContact CE1-CG1 3.64Å; Y176-I180 VanDerWaalsContact O-CG1 3.23Å; Y176-I180 WeakPolarHBondContact O-CG1 3.05Å; Y176-I180 PolarHBondContact O-N 2.88Å
177	R	90.4	Very high	90	Very high	58 Å²	58	51.1 Å²	51.1	22%	0.219	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-43.8	174	-59	-175.1	-155.3	126.9	3.7	112	Y170 N171 Q173 P174 I180 Y181	Y170-R177 HydrophobicContact CD1-CG 4.29Å; Y170-R177 HydrophobicContact CD2-CB 4.23Å; Y170-R177 HydrophobicContact CD2-CG 3.82Å; Y170-R177 HydrophobicContact CE1-CG 4.25Å; Y170-R177 HydrophobicContact CE2-CB 3.88Å; Y170-R177 HydrophobicContact CE2-CG 3.79Å; Y170-R177 HydrophobicContact CG-CG 4.07Å; Y170-R177 WeakPolarHBondContact O-CD 3.43Å; Y170-R177 WeakPolarHBondContact O-CG 3.31Å; Y170-R177 PolarHBondContact O-NE 3.33Å; N171-R177 VanDerWaalsContact C-NH2 3.35Å; N171-R177 PolarHBondContact O-NH2 2.88Å; Q173-R177 PolarHBondContact O-N 2.68Å; Q173-R177 VanDerWaalsContact O-N 3.16Å; P174-R177 PolarHBondContact O-N 2.85Å; R177-I180 PolarHBondContact O-N 3.23Å; R177-Y181 PolarHBondContact O-N 2.9Å
178	K	88.4	Confident	90.2	Very high	108 Å²	108	47.4 Å²	47.4	47%	0.47	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-46.8	175.1	-172.7	-174.7	-178	-132.5	0	111.1	G143 P174 M175 Y176 I180 Y181 E182	G143-K178 PolarHBondContact O-NZ 3.03Å; P174-K178 PolarHBondContact O-N 3.12Å; M175-K178 PolarHBondContact O-N 2.97Å; Y176-K178 VanDerWaalsContact C-N 3.32Å; Y176-K178 PolarHBondContact O-N 3.23Å; K178-I180 VanDerWaalsContact C-N 3.32Å; K178-I180 PolarHBondContact O-N 3Å; K178-Y181 WeakPolarHBondContact O-CB 3.5Å; K178-Y181 PolarHBondContact O-N 3.34Å; K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 WeakPolarHBondContact CG-OE1 3.06Å; K178-E182 IonicContact NZ-OE1 3.85Å; K178-E182 PolarHBondContact NZ-OE1 2.93Å; K178-E182 VanDerWaalsContact NZ-OE1 3.12Å; K178-E182 WeakPolarHBondContact O-CG 3.26Å; K178-E182 PolarHBondContact O-N 3.49Å
179	A	92.7	Very high	90.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-41	178	0	0	0	0	0	112.7	W117 P118 F142 M175 Y176 V183	W117-A179 HydrophobicContact CZ2-CB 3.98Å; P118-A179 HydrophobicContact CG-CB 3.82Å; F142-A179 VanDerWaalsContact C-CB 3.48Å; F142-A179 HydrophobicContact CB-CB 4.06Å; F142-A179 WeakPolarHBondContact CB-O 3.42Å; F142-A179 WeakPolarHBondContact O-CB 3.5Å; M175-A179 WeakPolarHBondContact O-CB 3.29Å; M175-A179 PolarHBondContact O-N 3.44Å; Y176-A179 PolarHBondContact O-N 3.35Å; A179-V183 WeakPolarHBondContact O-CG1 3.48Å; A179-V183 PolarHBondContact O-N 2.83Å
180	I	94.9	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-40.9	176.1	-65.9	-66.9	0	0	0	111.4	W108 P118 F161 F165 Y170 Y176 R177 K178 V183 L184 I218	W108-I180 HydrophobicContact CH2-CD1 3.4Å; W108-I180 HydrophobicContact CZ2-CD1 4.37Å; W108-I180 HydrophobicContact CZ3-CD1 3.92Å; P118-I180 HydrophobicContact CG-CD1 4.08Å; F161-I180 HydrophobicContact CE2-CD1 4.39Å; F161-I180 HydrophobicContact CZ-CG2 4.23Å; F165-I180 HydrophobicContact CD2-CD1 3.84Å; F165-I180 HydrophobicContact CD2-CG1 4.3Å; F165-I180 HydrophobicContact CE2-CD1 4.1Å; F165-I180 HydrophobicContact CE2-CG1 4.05Å; F165-I180 HydrophobicContact CE2-CG2 4.17Å; Y170-I180 HydrophobicContact CD2-CB 4.28Å; Y170-I180 HydrophobicContact CD2-CG1 4.21Å; Y170-I180 HydrophobicContact CD2-CG2 4.39Å; Y170-I180 HydrophobicContact CE2-CB 4.2Å; Y170-I180 HydrophobicContact CE2-CG2 4.13Å; Y176-I180 HydrophobicContact CD1-CG1 3.87Å; Y176-I180 HydrophobicContact CE1-CD1 3.96Å; Y176-I180 HydrophobicContact CE1-CG1 3.64Å; Y176-I180 VanDerWaalsContact O-CG1 3.23Å; Y176-I180 WeakPolarHBondContact O-CG1 3.05Å; Y176-I180 PolarHBondContact O-N 2.88Å; R177-I180 PolarHBondContact O-N 3.23Å; K178-I180 VanDerWaalsContact C-N 3.32Å; K178-I180 PolarHBondContact O-N 3Å; I180-V183 WeakPolarHBondContact O-CG1 3.3Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.36Å; I180-L184 VanDerWaalsContact O-CB 3.26Å; I180-L184 WeakPolarHBondContact O-CB 3.18Å; I180-L184 WeakPolarHBondContact O-CG 3.31Å; I180-L184 PolarHBondContact O-N 2.81Å; I180-L184 VanDerWaalsContact O-N 3.08Å; I180-I218 HydrophobicContact CG2-CD1 4.24Å; I180-I218 HydrophobicContact CG2-CG1 4.11Å
181	Y	91.8	Very high	90.4	Very high	50 Å²	50	51.6 Å²	51.6	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-52.4	174.3	177.9	-118.7	0	0	0	111.6	R177 K178 V183 L184 Q185 Q213 N214 M217	R177-Y181 PolarHBondContact O-N 2.9Å; K178-Y181 WeakPolarHBondContact O-CB 3.5Å; K178-Y181 PolarHBondContact O-N 3.34Å; Y181-V183 PolarHBondContact O-N 2.95Å; Y181-L184 PolarHBondContact O-N 3.4Å; Y181-L184 VanDerWaalsContact O-N 3.17Å; Y181-Q185 HydrophobicContact CD1-CG 4.44Å; Y181-Q185 HydrophobicContact CD2-CG 4.14Å; Y181-Q185 HydrophobicContact CE1-CG 4.21Å; Y181-Q185 HydrophobicContact CE2-CG 3.97Å; Y181-Q185 HydrophobicContact CG-CG 4.45Å; Y181-Q185 VanDerWaalsContact CZ-CD 3.45Å; Y181-Q185 WeakPolarHBondContact O-CG 3.21Å; Y181-Q185 PolarHBondContact O-N 3.22Å; Y181-Q185 PolarHBondContact OH-NE2 3.29Å; Y181-Q213 PolarHBondContact OH-OE1 3.13Å; Y181-N214 WeakPolarHBondContact CB-OD1 3.48Å; Y181-N214 WeakPolarHBondContact CD2-OD1 3.37Å; Y181-M217 HydrophobicContact CD2-SD 4.16Å; Y181-M217 HydrophobicContact CE2-SD 4.21Å
182	E	93.3	Very high	90.4	Very high	48 Å²	48	50.4 Å²	50.4	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-46.3	-177.6	-69.7	172.9	-172	0	0	111.8	F142 G143 K178 L184 Q185 V186	F142-E182 HydrophobicContact CB-CB 4.28Å; F142-E182 HydrophobicContact CD1-CB 3.67Å; F142-E182 HydrophobicContact CE1-CB 4.45Å; F142-E182 HydrophobicContact CG-CB 4.34Å; G143-E182 WeakPolarHBondContact CA-OE2 3.26Å; G143-E182 PolarHBondContact N-OE2 3.27Å; K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 WeakPolarHBondContact CG-OE1 3.06Å; K178-E182 IonicContact NZ-OE1 3.85Å; K178-E182 PolarHBondContact NZ-OE1 2.93Å; K178-E182 VanDerWaalsContact NZ-OE1 3.12Å; K178-E182 WeakPolarHBondContact O-CG 3.26Å; K178-E182 PolarHBondContact O-N 3.49Å; E182-L184 VanDerWaalsContact C-N 3.32Å; E182-L184 PolarHBondContact O-N 2.9Å; E182-Q185 PolarHBondContact O-N 2.66Å; E182-V186 WeakPolarHBondContact O-CG2 3.3Å; E182-V186 PolarHBondContact O-N 3.13Å; E182-V186 VanDerWaalsContact O-N 3.15Å
183	V	95.3	Very high	90.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-36.4	178.7	74.7	0	0	0	0	111.8	L106 P118 F142 L158 A179 I180 Y181 V186 A187	L106-V183 HydrophobicContact CD1-CG2 4.38Å; L106-V183 HydrophobicContact CD2-CG2 4.43Å; P118-V183 HydrophobicContact CB-CB 3.89Å; P118-V183 HydrophobicContact CB-CG1 3.68Å; P118-V183 HydrophobicContact CB-CG2 4.01Å; P118-V183 HydrophobicContact CG-CB 4.46Å; P118-V183 HydrophobicContact CG-CG1 4.08Å; F142-V183 HydrophobicContact CD1-CB 4.47Å; F142-V183 HydrophobicContact CD2-CB 3.65Å; F142-V183 HydrophobicContact CD2-CG2 3.74Å; F142-V183 HydrophobicContact CE2-CB 3.91Å; F142-V183 HydrophobicContact CE2-CG2 3.58Å; F142-V183 HydrophobicContact CG-CB 3.96Å; F142-V183 HydrophobicContact CZ-CB 4.4Å; F142-V183 HydrophobicContact CZ-CG2 4.23Å; L158-V183 HydrophobicContact CD1-CG1 4.28Å; L158-V183 HydrophobicContact CD1-CG2 3.76Å; L158-V183 HydrophobicContact CD2-CG2 3.71Å; L158-V183 HydrophobicContact CG-CG2 4.39Å; A179-V183 WeakPolarHBondContact O-CG1 3.48Å; A179-V183 PolarHBondContact O-N 2.83Å; I180-V183 WeakPolarHBondContact O-CG1 3.3Å; Y181-V183 PolarHBondContact O-N 2.95Å; V183-V186 PolarHBondContact O-N 3.36Å; V183-A187 WeakPolarHBondContact O-CB 3.5Å; V183-A187 PolarHBondContact O-N 2.97Å
184	L	94.3	Very high	90.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-73.8	-28.4	178.3	-70	178.4	0	0	0	112.4	F161 I180 Y181 E182 A187 S188 M217 I218 A221 F225	F161-L184 HydrophobicContact CD2-CD2 4.29Å; F161-L184 HydrophobicContact CE2-CD1 4.21Å; F161-L184 HydrophobicContact CE2-CD2 3.85Å; F161-L184 HydrophobicContact CE2-CG 4.25Å; F161-L184 HydrophobicContact CZ-CD1 4.22Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.36Å; I180-L184 VanDerWaalsContact O-CB 3.26Å; I180-L184 WeakPolarHBondContact O-CB 3.18Å; I180-L184 WeakPolarHBondContact O-CG 3.31Å; I180-L184 PolarHBondContact O-N 2.81Å; I180-L184 VanDerWaalsContact O-N 3.08Å; Y181-L184 PolarHBondContact O-N 3.4Å; Y181-L184 VanDerWaalsContact O-N 3.17Å; E182-L184 VanDerWaalsContact C-N 3.32Å; E182-L184 PolarHBondContact O-N 2.9Å; L184-A187 PolarHBondContact O-N 2.91Å; L184-S188 VanDerWaalsContact O-CB 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.17Å; L184-S188 PolarHBondContact O-N 3.11Å; L184-S188 PolarHBondContact O-OG 3.48Å; L184-M217 VanDerWaalsContact C-CE 3.44Å; L184-M217 HydrophobicContact CB-CB 4.27Å; L184-M217 HydrophobicContact CB-CE 3.81Å; L184-M217 HydrophobicContact CD1-CB 3.86Å; L184-M217 WeakPolarHBondContact O-CE 3.29Å; L184-I218 HydrophobicContact CD1-CG1 3.9Å; L184-A221 HydrophobicContact CD2-CB 3.66Å; L184-F225 HydrophobicContact CD2-CE1 3.88Å; L184-F225 HydrophobicContact CD2-CZ 4.41Å
185	Q	92.1	Very high	90.2	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-65.5	-45.1	170.7	-75.6	-175.6	-48.4	0	0	111.5	Y181 E182 A187 S188 S189 M217	Y181-Q185 HydrophobicContact CD1-CG 4.44Å; Y181-Q185 HydrophobicContact CD2-CG 4.14Å; Y181-Q185 HydrophobicContact CE1-CG 4.21Å; Y181-Q185 HydrophobicContact CE2-CG 3.97Å; Y181-Q185 HydrophobicContact CG-CG 4.45Å; Y181-Q185 VanDerWaalsContact CZ-CD 3.45Å; Y181-Q185 WeakPolarHBondContact O-CG 3.21Å; Y181-Q185 PolarHBondContact O-N 3.22Å; Y181-Q185 PolarHBondContact OH-NE2 3.29Å; E182-Q185 PolarHBondContact O-N 2.66Å; Q185-A187 VanDerWaalsContact C-N 3.35Å; Q185-S188 WeakPolarHBondContact CA-OG 3.33Å; Q185-S188 PolarHBondContact O-N 2.97Å; Q185-S188 PolarHBondContact O-OG 3.04Å; Q185-S189 WeakPolarHBondContact O-CB 3.37Å; Q185-S189 PolarHBondContact O-N 3.4Å; Q185-M217 HydrophobicContact CG-CE 4.15Å
186	V	92.3	Very high	89.4	Confident	38 Å²	38	48.8 Å²	48.8	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-45	175.2	179.8	0	0	0	0	110	L106 F142 E182 V183 S188 S189 R190	L106-V186 HydrophobicContact CD1-CB 4.46Å; L106-V186 HydrophobicContact CD1-CG1 4.1Å; L106-V186 HydrophobicContact CD2-CG1 4.08Å; F142-V186 HydrophobicContact CE1-CG2 3.97Å; F142-V186 HydrophobicContact CZ-CG2 4.2Å; E182-V186 WeakPolarHBondContact O-CG2 3.3Å; E182-V186 PolarHBondContact O-N 3.13Å; E182-V186 VanDerWaalsContact O-N 3.15Å; V183-V186 PolarHBondContact O-N 3.36Å; V186-S188 PolarHBondContact O-N 2.71Å; V186-S189 PolarHBondContact O-N 3.48Å; V186-R190 WeakPolarHBondContact O-CG 3.5Å; V186-R190 PolarHBondContact O-N 3.01Å
187	A	93.8	Very high	87.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-44.8	176	0	0	0	0	0	112.7	L106 L158 V183 L184 Q185 S189 R190 A191 W220 F225 L233	L106-A187 HydrophobicContact CD1-CB 4.2Å; L158-A187 HydrophobicContact CD2-CB 4.03Å; V183-A187 WeakPolarHBondContact O-CB 3.5Å; V183-A187 PolarHBondContact O-N 2.97Å; L184-A187 PolarHBondContact O-N 2.91Å; Q185-A187 VanDerWaalsContact C-N 3.35Å; A187-S189 VanDerWaalsContact C-N 3.35Å; A187-R190 PolarHBondContact O-N 3.32Å; A187-A191 WeakPolarHBondContact O-CB 2.94Å; A187-A191 PolarHBondContact O-N 3.3Å; A187-W220 HydrophobicContact CB-CH2 4.32Å; A187-W220 HydrophobicContact CB-CZ3 4.26Å; A187-F225 HydrophobicContact CB-CE1 4.28Å; A187-L233 HydrophobicContact CB-CD2 3.53Å
188	S	92.2	Very high	86	Confident	17 Å²	17	56.1 Å²	56.1	12%	0.119	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-38.2	-179.4	67.1	0	0	0	0	111.8	L184 Q185 V186 A191 G192 K193	L184-S188 VanDerWaalsContact O-CB 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.17Å; L184-S188 PolarHBondContact O-N 3.11Å; L184-S188 PolarHBondContact O-OG 3.48Å; Q185-S188 WeakPolarHBondContact CA-OG 3.33Å; Q185-S188 PolarHBondContact O-N 2.97Å; Q185-S188 PolarHBondContact O-OG 3.04Å; V186-S188 PolarHBondContact O-N 2.71Å; S188-A191 PolarHBondContact O-N 3.13Å; S188-G192 PolarHBondContact O-N 3.28Å; S188-G192 VanDerWaalsContact O-N 3.09Å; S188-K193 WeakPolarHBondContact CB-O 3.45Å; S188-K193 PolarHBondContact O-N 3.28Å
189	S	90	Very high	84	Confident	99 Å²	99	58.9 Å²	58.9	69%	0.692	34%	0.337	S	S	*	.	H	α-helix	trans	-62.1	-47.1	174.3	-169.7	0	0	0	0	111.3	Q185 V186 A187 G192	Q185-S189 WeakPolarHBondContact O-CB 3.37Å; Q185-S189 PolarHBondContact O-N 3.4Å; V186-S189 PolarHBondContact O-N 3.48Å; A187-S189 VanDerWaalsContact C-N 3.35Å; S189-G192 PolarHBondContact O-N 3.38Å
190	R	91.3	Very high	81.7	Confident	39 Å²	39	66 Å²	66	15%	0.147	38%	0.375	C	S	.	.	H	α-helix	trans	-65.4	-38.9	177.7	-69.6	179.1	-179.6	-173.8	2.4	112.4	G104 V186 A187 G192 G232 L233 E239	G104-R190 PolarHBondContact O-NH1 3.22Å; G104-R190 PolarHBondContact O-NH2 3.47Å; V186-R190 WeakPolarHBondContact O-CG 3.5Å; V186-R190 PolarHBondContact O-N 3.01Å; A187-R190 PolarHBondContact O-N 3.32Å; R190-G192 VanDerWaalsContact C-N 3.26Å; R190-G192 PolarHBondContact O-N 3.34Å; R190-G232 CarbonylContact C-O 3.5Å; R190-G232 WeakPolarHBondContact CB-O 3.31Å; R190-L233 WeakPolarHBondContact CD-O 3.49Å; R190-L233 PolarHBondContact NH1-O 2.99Å; R190-E239 IonicContact CZ-OE1 2.69Å; R190-E239 IonicContact CZ-OE2 3.83Å; R190-E239 IonicContact NE-OE1 3.92Å; R190-E239 IonicContact NH2-OE1 2.65Å; R190-E239 PolarHBondContact NH2-OE1 3.37Å; R190-E239 IonicContact NH2-OE2 3.85Å; R190-E239 PolarHBondContact NH2-OE2 3.08Å
191	A	89.3	Confident	79.1	Confident	18 Å²	18	71.4 Å²	71.4	15%	0.149	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.8	-179.4	0	0	0	0	0	114.1	A187 S188 K193 W220 S228 G232	A187-A191 WeakPolarHBondContact O-CB 2.94Å; A187-A191 PolarHBondContact O-N 3.3Å; S188-A191 PolarHBondContact O-N 3.13Å; A191-K193 HydrophobicContact CB-CB 4.43Å; A191-K193 PolarHBondContact O-N 3.35Å; A191-W220 HydrophobicContact CB-CH2 3.74Å; A191-W220 HydrophobicContact CB-CZ2 3.62Å; A191-S228 WeakPolarHBondContact CB-OG 3.28Å; A191-G232 WeakPolarHBondContact CA-O 3.34Å; A191-G232 PolarHBondContact N-O 3.16Å; A191-G232 VanDerWaalsContact N-O 3.11Å
192	G	84.4	Confident	76.6	Confident	62 Å²	62	75.9 Å²	75.9	64%	0.639	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	21.8	-173.7	0	0	0	0	0	113.6	S188 S189 R190	S188-G192 PolarHBondContact O-N 3.28Å; S188-G192 VanDerWaalsContact O-N 3.09Å; S189-G192 PolarHBondContact O-N 3.38Å; R190-G192 VanDerWaalsContact C-N 3.26Å; R190-G192 PolarHBondContact O-N 3.34Å
193	K	85.6	Confident	74.4	Confident	84 Å²	84	83.2 Å²	83.2	37%	0.365	47%	0.474	S	S	.	.			trans	-92.2	106.5	-178.9	-175.2	68.9	177.1	-178.7	0	109.2	S188 A191 F195 W220	S188-K193 WeakPolarHBondContact CB-O 3.45Å; S188-K193 PolarHBondContact O-N 3.28Å; A191-K193 HydrophobicContact CB-CB 4.43Å; A191-K193 PolarHBondContact O-N 3.35Å; K193-F195 HydrophobicContact CB-CE2 4.21Å; K193-F195 HydrophobicContact CG-CD2 4.26Å; K193-F195 HydrophobicContact CG-CE2 3.52Å; K193-F195 HydrophobicContact CG-CZ 3.71Å; K193-W220 HydrophobicContact CB-CH2 4.31Å; K193-W220 HydrophobicContact CB-CZ2 3.94Å; K193-W220 HydrophobicContact CG-CD2 4.33Å; K193-W220 HydrophobicContact CG-CZ2 4.26Å
194	L	80.1	Confident	72.1	Confident	162 Å²	162	88.1 Å²	88.1	85%	0.848	51%	0.509	S	S	*	.			trans	-80.7	128.6	177	-61.6	174.4	0	0	0	110.5
195	F	83.4	Confident	70.1	Confident	41 Å²	41	92.2 Å²	92.2	18%	0.18	53%	0.531	C	S	.	.			trans	-109.6	142.6	167.7	-67.4	-85.9	0	0	0	108.7	K193 V197 P216 M217 W220	K193-F195 HydrophobicContact CB-CE2 4.21Å; K193-F195 HydrophobicContact CG-CD2 4.26Å; K193-F195 HydrophobicContact CG-CE2 3.52Å; K193-F195 HydrophobicContact CG-CZ 3.71Å; F195-V197 PolarHBondContact O-N 3.37Å; F195-V197 VanDerWaalsContact O-N 3.12Å; F195-P216 HydrophobicContact CD1-CB 4.2Å; F195-P216 HydrophobicContact CD1-CG 4.38Å; F195-P216 HydrophobicContact CE1-CB 4.15Å; F195-M217 HydrophobicContact CB-CG 4.5Å; F195-M217 HydrophobicContact CD1-CG 3.87Å; F195-M217 HydrophobicContact CD2-CE 4.06Å; F195-M217 HydrophobicContact CD2-CG 3.86Å; F195-M217 HydrophobicContact CE1-CB 4.49Å; F195-M217 HydrophobicContact CE1-CG 3.98Å; F195-M217 HydrophobicContact CE2-CE 4.37Å; F195-M217 HydrophobicContact CE2-CG 3.96Å; F195-M217 HydrophobicContact CG-CG 3.81Å; F195-M217 HydrophobicContact CZ-CB 4.35Å; F195-M217 HydrophobicContact CZ-CG 4.02Å; F195-W220 HydrophobicContact CE1-CB 4.38Å; F195-W220 HydrophobicContact CE2-CD2 4.18Å; F195-W220 AromaticContact CE2-CE3 3.77Å; F195-W220 HydrophobicContact CE2-CE3 3.77Å; F195-W220 HydrophobicContact CE2-CZ3 4.15Å; F195-W220 HydrophobicContact CZ-CB 3.84Å; F195-W220 AromaticContact CZ-CD2 3.79Å; F195-W220 HydrophobicContact CZ-CD2 3.79Å; F195-W220 AromaticContact CZ-CE3 3.69Å; F195-W220 HydrophobicContact CZ-CE3 3.69Å; F195-W220 AromaticContact CZ-CG 3.87Å; F195-W220 HydrophobicContact CZ-CG 3.87Å
196	P	71.3	Confident	68.4	Low	119 Å²	119	93.4 Å²	93.4	77%	0.773	54%	0.543	S	S	*	.			trans	-59.5	117.8	179.8	-21.2	31.8	0	0	0	111.2
197	V	59.8	Low	66.6	Low	110 Å²	110	94.8 Å²	94.8	67%	0.667	56%	0.559	S	S	*	*			trans	-83	115.9	170.8	-175.5	0	0	0	0	107.1	F195 H199	F195-V197 PolarHBondContact O-N 3.37Å; F195-V197 VanDerWaalsContact O-N 3.12Å; V197-H199 PolarHBondContact O-N 3.25Å
198	C	50.6	Low	64.9	Low	103 Å²	103	100.7 Å²	100.7	70%	0.696	59%	0.585	S	S	*	*			trans	-77	114.3	173.2	-163.2	0	0	0	0	108
199	H	46.1	Very low	63.3	Low	165 Å²	165	102.5 Å²	102.5	76%	0.764	60%	0.601	S	S	*	*			trans	-83	115.6	170.3	-91.7	-77.4	0	0	0	109.3	V197	V197-H199 PolarHBondContact O-N 3.25Å
200	D	43.8	Very low	61.9	Low	150 Å²	150	100 Å²	100	80%	0.802	58%	0.581	S	S	*	*			trans	34.4	123.7	162.3	-70.3	-35.8	0	0	0	121.6
201	S	39.7	Very low	60.6	Low	114 Å²	114	102.3 Å²	102.3	80%	0.797	59%	0.594	S	S	*	*				-163.4	132.3	123.5	28	0	0	0	0	111.1
202	D	40.1	Very low	59.6	Low	143 Å²	143	106.9 Å²	106.9	77%	0.765	62%	0.619	S	S	*	*			trans	68.9	110.5	170.6	-62.2	-23.1	0	0	0	119.8	S204	D202-S204 PolarHBondContact O-N 2.89Å
203	E	46.9	Very low	58.8	Low	202 Å²	202	106.1 Å²	106.1	94%	0.944	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	14.1	178	-82.6	-158.6	140.9	0	0	116.1
204	S	47.7	Very low	58.5	Low	104 Å²	104	102.1 Å²	102.1	73%	0.727	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-10.1	-175.9	56.9	0	0	0	0	116	D202	D202-S204 PolarHBondContact O-N 2.89Å
205	D	52	Low	58.8	Low	86 Å²	86	100.9 Å²	100.9	46%	0.46	57%	0.569	S	S	.	*			trans	-143.1	41.8	-174.2	-121.2	-6.4	0	0	0	115.2	A207 K208 A209	D205-A207 PolarHBondContact O-N 3.08Å; D205-A207 VanDerWaalsContact O-N 3.14Å; D205-K208 PolarHBondContact O-N 3.38Å; D205-K208 IonicContact OD1-NZ 3.53Å; D205-K208 IonicContact OD2-NZ 3.62Å; D205-K208 PolarHBondContact OD2-NZ 2.96Å; D205-A209 PolarHBondContact O-N 2.98Å
206	T	56.6	Low	59	Low	105 Å²	105	101.5 Å²	101.5	64%	0.644	58%	0.577	S	S	*	*	H	α-helix	trans	-56.4	-29	-178.7	11.3	0	0	0	0	114.6	V210	T206-V210 VanDerWaalsContact O-CG2 3.29Å; T206-V210 WeakPolarHBondContact O-CG2 3.34Å; T206-V210 PolarHBondContact O-N 2.99Å
207	A	55.1	Low	60	Low	68 Å²	68	96.1 Å²	96.1	56%	0.562	54%	0.542	S	S	*	.	H	α-helix	trans	-70.9	-37.4	-178.2	0	0	0	0	0	113.2	D205 E211	D205-A207 PolarHBondContact O-N 3.08Å; D205-A207 VanDerWaalsContact O-N 3.14Å; A207-E211 PolarHBondContact O-N 2.76Å
208	K	57.2	Low	61.6	Low	124 Å²	124	91.6 Å²	91.6	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-75.5	-35.4	176.8	-68.7	-178.2	-165.9	144.5	0	111.6	D205 E211 V212	D205-K208 PolarHBondContact O-N 3.38Å; D205-K208 IonicContact OD1-NZ 3.53Å; D205-K208 IonicContact OD2-NZ 3.62Å; D205-K208 PolarHBondContact OD2-NZ 2.96Å; K208-E211 PolarHBondContact O-N 2.98Å; K208-V212 WeakPolarHBondContact O-CG2 3.17Å; K208-V212 PolarHBondContact O-N 2.8Å
209	A	58.4	Low	63.6	Low	55 Å²	55	92.1 Å²	92.1	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-63.2	-43.3	177.2	0	0	0	0	0	112.4	D205 E211 V212 Q213	D205-A209 PolarHBondContact O-N 2.98Å; A209-E211 VanDerWaalsContact C-N 3.34Å; A209-V212 PolarHBondContact O-N 3.2Å; A209-Q213 PolarHBondContact O-N 3.01Å; A209-Q213 VanDerWaalsContact O-N 3.12Å
210	V	60.6	Low	65.9	Low	45 Å²	45	85.4 Å²	85.4	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-67.2	-34.5	175.7	174	0	0	0	0	111.5	T206 Q213 N214	T206-V210 VanDerWaalsContact O-CG2 3.29Å; T206-V210 WeakPolarHBondContact O-CG2 3.34Å; T206-V210 PolarHBondContact O-N 2.99Å; V210-Q213 PolarHBondContact O-N 2.72Å; V210-N214 VanDerWaalsContact O-CB 3.25Å; V210-N214 WeakPolarHBondContact O-CB 3.32Å; V210-N214 PolarHBondContact O-N 2.77Å; V210-N214 PolarHBondContact O-OD1 2.82Å
211	E	64.8	Low	68.2	Low	89 Å²	89	78.3 Å²	78.3	42%	0.416	44%	0.436	S	S	.	.	H	α-helix	trans	-70.1	-38.2	178.9	-162.4	165.4	-152.5	0	0	112.7	A207 K208 A209 N214 K215	A207-E211 PolarHBondContact O-N 2.76Å; K208-E211 PolarHBondContact O-N 2.98Å; A209-E211 VanDerWaalsContact C-N 3.34Å; E211-N214 PolarHBondContact O-N 2.84Å; E211-K215 PolarHBondContact O-N 3.26Å
212	V	66.7	Low	70.7	Confident	113 Å²	113	76.5 Å²	76.5	69%	0.685	42%	0.417	S	S	*	.	H	α-helix	trans	-67.7	-37.4	173.9	174.3	0	0	0	0	111.6	K208 A209 P216	K208-V212 WeakPolarHBondContact O-CG2 3.17Å; K208-V212 PolarHBondContact O-N 2.8Å; A209-V212 PolarHBondContact O-N 3.2Å; V212-P216 WeakPolarHBondContact O-CD 3.34Å
213	Q	68.6	Low	73.1	Confident	47 Å²	47	72 Å²	72	22%	0.22	41%	0.405	C	S	.	.	H	α-helix	trans	-72.6	-34.8	175.2	-78.1	-175.6	-1.8	0	0	113.4	Y181 A209 V210 P216	Y181-Q213 PolarHBondContact OH-OE1 3.13Å; A209-Q213 PolarHBondContact O-N 3.01Å; A209-Q213 VanDerWaalsContact O-N 3.12Å; V210-Q213 PolarHBondContact O-N 2.72Å; Q213-P216 VanDerWaalsContact O-CD 3.32Å; Q213-P216 WeakPolarHBondContact O-CD 3.33Å; Q213-P216 WeakPolarHBondContact O-CG 3.41Å
214	N	80.2	Confident	75.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-71.9	-32.6	-177.4	-80.8	0.8	0	0	0	113.4	Y170 Y181 V210 E211 M217 I218	Y170-N214 WeakPolarHBondContact OH-CB 3.3Å; Y170-N214 PolarHBondContact OH-ND2 3.39Å; Y181-N214 WeakPolarHBondContact CB-OD1 3.48Å; Y181-N214 WeakPolarHBondContact CD2-OD1 3.37Å; V210-N214 VanDerWaalsContact O-CB 3.25Å; V210-N214 WeakPolarHBondContact O-CB 3.32Å; V210-N214 PolarHBondContact O-N 2.77Å; V210-N214 PolarHBondContact O-OD1 2.82Å; E211-N214 PolarHBondContact O-N 2.84Å; N214-M217 PolarHBondContact O-N 2.79Å; N214-M217 VanDerWaalsContact O-N 3.11Å; N214-I218 HydrophobicContact CB-CD1 4.05Å; N214-I218 WeakPolarHBondContact O-CB 3.18Å; N214-I218 VanDerWaalsContact O-CG1 3.31Å; N214-I218 WeakPolarHBondContact O-CG1 3.47Å; N214-I218 PolarHBondContact O-N 2.9Å
215	K	85.5	Confident	77.3	Confident	135 Å²	135	58.7 Å²	58.7	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-54.1	-52.4	-175.3	-169.7	176.6	178.8	-178.4	0	113.5	E211 M217 I218 E219	E211-K215 PolarHBondContact O-N 3.26Å; K215-M217 VanDerWaalsContact C-N 3.3Å; K215-M217 PolarHBondContact O-N 2.98Å; K215-I218 PolarHBondContact O-N 2.78Å; K215-E219 VanDerWaalsContact CE-OE1 3.23Å; K215-E219 WeakPolarHBondContact CE-OE1 3.4Å; K215-E219 WeakPolarHBondContact O-CG 3.47Å; K215-E219 PolarHBondContact O-N 2.88Å
216	P	88.3	Confident	79	Confident	54 Å²	54	60.2 Å²	60.2	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-65.7	-30	177.2	26.2	-36	0	0	0	113.4	F195 V212 Q213 W220	F195-P216 HydrophobicContact CD1-CB 4.2Å; F195-P216 HydrophobicContact CD1-CG 4.38Å; F195-P216 HydrophobicContact CE1-CB 4.15Å; V212-P216 WeakPolarHBondContact O-CD 3.34Å; Q213-P216 VanDerWaalsContact O-CD 3.32Å; Q213-P216 WeakPolarHBondContact O-CD 3.33Å; Q213-P216 WeakPolarHBondContact O-CG 3.41Å; P216-W220 VanDerWaalsContact O-CB 3.29Å; P216-W220 WeakPolarHBondContact O-CB 3.43Å; P216-W220 PolarHBondContact O-N 2.89Å
217	M	91.9	Very high	80.4	Confident	7 Å²	7	60.4 Å²	60.4	3%	0.034	35%	0.346	C	S	.	.	H	α-helix	trans	-71.8	-38.8	176.9	-57.9	179.7	84.1	0	0	111.7	Y181 L184 Q185 F195 N214 K215 W220 A221	Y181-M217 HydrophobicContact CD2-SD 4.16Å; Y181-M217 HydrophobicContact CE2-SD 4.21Å; L184-M217 VanDerWaalsContact C-CE 3.44Å; L184-M217 HydrophobicContact CB-CB 4.27Å; L184-M217 HydrophobicContact CB-CE 3.81Å; L184-M217 HydrophobicContact CD1-CB 3.86Å; L184-M217 WeakPolarHBondContact O-CE 3.29Å; Q185-M217 HydrophobicContact CG-CE 4.15Å; F195-M217 HydrophobicContact CB-CG 4.5Å; F195-M217 HydrophobicContact CD1-CG 3.87Å; F195-M217 HydrophobicContact CD2-CE 4.06Å; F195-M217 HydrophobicContact CD2-CG 3.86Å; F195-M217 HydrophobicContact CE1-CB 4.49Å; F195-M217 HydrophobicContact CE1-CG 3.98Å; F195-M217 HydrophobicContact CE2-CE 4.37Å; F195-M217 HydrophobicContact CE2-CG 3.96Å; F195-M217 HydrophobicContact CG-CG 3.81Å; F195-M217 HydrophobicContact CZ-CB 4.35Å; F195-M217 HydrophobicContact CZ-CG 4.02Å; N214-M217 PolarHBondContact O-N 2.79Å; N214-M217 VanDerWaalsContact O-N 3.11Å; K215-M217 VanDerWaalsContact C-N 3.3Å; K215-M217 PolarHBondContact O-N 2.98Å; M217-W220 PolarHBondContact O-N 2.93Å; M217-A221 WeakPolarHBondContact O-CB 3.35Å; M217-A221 PolarHBondContact O-N 2.97Å
218	I	93.4	Very high	81.9	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.072	33%	0.333	C	S	.	.	H	α-helix	trans	-68.7	-44.2	175.8	-69.5	168.6	0	0	0	110.3	F161 F165 Y170 I180 L184 N214 K215 W220 A221 L222	F161-I218 HydrophobicContact CE1-CG2 4.16Å; F161-I218 HydrophobicContact CZ-CG1 4.43Å; F165-I218 HydrophobicContact CE1-CG2 4.14Å; F165-I218 HydrophobicContact CE2-CD1 4.47Å; F165-I218 HydrophobicContact CZ-CD1 4.12Å; F165-I218 HydrophobicContact CZ-CG2 4.23Å; Y170-I218 HydrophobicContact CD2-CD1 4.36Å; Y170-I218 HydrophobicContact CE1-CD1 4.18Å; Y170-I218 HydrophobicContact CE2-CD1 3.66Å; I180-I218 HydrophobicContact CG2-CD1 4.24Å; I180-I218 HydrophobicContact CG2-CG1 4.11Å; L184-I218 HydrophobicContact CD1-CG1 3.9Å; N214-I218 HydrophobicContact CB-CD1 4.05Å; N214-I218 WeakPolarHBondContact O-CB 3.18Å; N214-I218 VanDerWaalsContact O-CG1 3.31Å; N214-I218 WeakPolarHBondContact O-CG1 3.47Å; N214-I218 PolarHBondContact O-N 2.9Å; K215-I218 PolarHBondContact O-N 2.78Å; I218-W220 VanDerWaalsContact C-N 3.3Å; I218-W220 PolarHBondContact O-N 3.13Å; I218-A221 PolarHBondContact O-N 3.44Å; I218-L222 HydrophobicContact CG2-CD1 3.82Å; I218-L222 HydrophobicContact CG2-CG 4.23Å; I218-L222 WeakPolarHBondContact O-CB 3.27Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 3.38Å
219	E	92.3	Very high	83.3	Confident	115 Å²	115	53.5 Å²	53.5	54%	0.537	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-41.5	174.8	-74.7	173.3	-170.6	0	0	111.4	K215 L222 G223	K215-E219 VanDerWaalsContact CE-OE1 3.23Å; K215-E219 WeakPolarHBondContact CE-OE1 3.4Å; K215-E219 WeakPolarHBondContact O-CG 3.47Å; K215-E219 PolarHBondContact O-N 2.88Å; E219-L222 PolarHBondContact O-N 2.83Å; E219-G223 PolarHBondContact O-N 3.28Å
220	W	93.9	Very high	84.8	Confident	23 Å²	23	54.6 Å²	54.6	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-43.7	173.5	171.1	60.5	0	0	0	113	A187 A191 K193 F195 P216 M217 I218 G223 G224 F225 Q226	A187-W220 HydrophobicContact CB-CH2 4.32Å; A187-W220 HydrophobicContact CB-CZ3 4.26Å; A191-W220 HydrophobicContact CB-CH2 3.74Å; A191-W220 HydrophobicContact CB-CZ2 3.62Å; K193-W220 HydrophobicContact CB-CH2 4.31Å; K193-W220 HydrophobicContact CB-CZ2 3.94Å; K193-W220 HydrophobicContact CG-CD2 4.33Å; K193-W220 HydrophobicContact CG-CZ2 4.26Å; F195-W220 HydrophobicContact CE1-CB 4.38Å; F195-W220 HydrophobicContact CE2-CD2 4.18Å; F195-W220 AromaticContact CE2-CE3 3.77Å; F195-W220 HydrophobicContact CE2-CE3 3.77Å; F195-W220 HydrophobicContact CE2-CZ3 4.15Å; F195-W220 HydrophobicContact CZ-CB 3.84Å; F195-W220 AromaticContact CZ-CD2 3.79Å; F195-W220 HydrophobicContact CZ-CD2 3.79Å; F195-W220 AromaticContact CZ-CE3 3.69Å; F195-W220 HydrophobicContact CZ-CE3 3.69Å; F195-W220 AromaticContact CZ-CG 3.87Å; F195-W220 HydrophobicContact CZ-CG 3.87Å; P216-W220 VanDerWaalsContact O-CB 3.29Å; P216-W220 WeakPolarHBondContact O-CB 3.43Å; P216-W220 PolarHBondContact O-N 2.89Å; M217-W220 PolarHBondContact O-N 2.93Å; I218-W220 VanDerWaalsContact C-N 3.3Å; I218-W220 PolarHBondContact O-N 3.13Å; W220-G223 CarbonylContact O-C 3.55Å; W220-G223 PolarHBondContact O-N 3.14Å; W220-G224 PolarHBondContact O-N 2.82Å; W220-F225 HydrophobicContact CD2-CD1 4.34Å; W220-F225 HydrophobicContact CE3-CD1 4.1Å; W220-F225 AromaticContact CH2-CD1 3.69Å; W220-F225 HydrophobicContact CH2-CD1 3.69Å; W220-F225 HydrophobicContact CH2-CE1 4.49Å; W220-F225 HydrophobicContact CZ2-CB 3.99Å; W220-F225 AromaticContact CZ2-CD1 3.93Å; W220-F225 HydrophobicContact CZ2-CD1 3.93Å; W220-F225 HydrophobicContact CZ2-CG 4.48Å; W220-F225 AromaticContact CZ3-CD1 3.79Å; W220-F225 HydrophobicContact CZ3-CD1 3.79Å; W220-F225 HydrophobicContact CZ3-CE1 4.24Å; W220-F225 VanDerWaalsContact NE1-C 3.28Å; W220-F225 PolarHBondContact O-N 3.47Å; W220-Q226 VanDerWaalsContact CD1-O 3.24Å; W220-Q226 PolarHBondContact NE1-O 3.48Å
221	A	93.3	Very high	86	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-40.6	177.8	0	0	0	0	0	112.6	F161 L184 M217 I218 G223 G224 F225	F161-A221 HydrophobicContact CB-CB 4.24Å; F161-A221 HydrophobicContact CD1-CB 3.68Å; F161-A221 HydrophobicContact CD2-CB 3.65Å; F161-A221 HydrophobicContact CE1-CB 3.9Å; F161-A221 HydrophobicContact CE2-CB 3.88Å; F161-A221 HydrophobicContact CG-CB 3.58Å; F161-A221 HydrophobicContact CZ-CB 3.99Å; L184-A221 HydrophobicContact CD2-CB 3.66Å; M217-A221 WeakPolarHBondContact O-CB 3.35Å; M217-A221 PolarHBondContact O-N 2.97Å; I218-A221 PolarHBondContact O-N 3.44Å; A221-G223 VanDerWaalsContact C-N 3.27Å; A221-G223 PolarHBondContact O-N 3.07Å; A221-G224 PolarHBondContact O-N 3.22Å; A221-F225 HydrophobicContact CB-CD1 4.26Å; A221-F225 HydrophobicContact CB-CE1 3.6Å; A221-F225 HydrophobicContact CB-CE2 4.25Å; A221-F225 HydrophobicContact CB-CZ 3.59Å
222	L	91.7	Very high	87.1	Confident	76 Å²	76	56.7 Å²	56.7	40%	0.398	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-33.9	172.2	-72.1	171.6	0	0	0	111.8	F161 C162 I218 E219 G224	F161-L222 HydrophobicContact CD1-CD2 3.96Å; F161-L222 HydrophobicContact CD1-CG 4.15Å; F161-L222 HydrophobicContact CE1-CD2 4.29Å; F161-L222 HydrophobicContact CE1-CG 4.24Å; C162-L222 HydrophobicContact CB-CD2 4.35Å; I218-L222 HydrophobicContact CG2-CD1 3.82Å; I218-L222 HydrophobicContact CG2-CG 4.23Å; I218-L222 WeakPolarHBondContact O-CB 3.27Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 3.38Å; E219-L222 PolarHBondContact O-N 2.83Å; L222-G224 PolarHBondContact O-N 2.77Å
223	G	89.3	Confident	88.2	Confident	49 Å²	49	51.9 Å²	51.9	51%	0.505	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	7.3	171.1	0	0	0	0	0	114.6	E219 W220 A221 Q226	E219-G223 PolarHBondContact O-N 3.28Å; W220-G223 CarbonylContact O-C 3.55Å; W220-G223 PolarHBondContact O-N 3.14Å; A221-G223 VanDerWaalsContact C-N 3.27Å; A221-G223 PolarHBondContact O-N 3.07Å; G223-Q226 WeakPolarHBondContact O-CG 3.15Å
224	G	90.1	Very high	89.2	Confident	25 Å²	25	55.3 Å²	55.3	26%	0.258	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	26.3	175.3	0	0	0	0	0	114.5	W220 A221 L222 Q226 G229	W220-G224 PolarHBondContact O-N 2.82Å; A221-G224 PolarHBondContact O-N 3.22Å; L222-G224 PolarHBondContact O-N 2.77Å; G224-Q226 PolarHBondContact O-N 3.27Å; G224-G229 WeakPolarHBondContact O-CA 3.19Å
225	F	93.7	Very high	89.6	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	31%	0.309	C	S	.	.	S	Bend	trans	64.9	32.7	174.7	-54.7	-89.6	0	0	0	114.9	L158 F161 L184 A187 W220 A221 S228 G229 L233	L158-F225 HydrophobicContact CD2-CE1 4.45Å; L158-F225 HydrophobicContact CD2-CZ 4.3Å; L158-F225 HydrophobicContact CG-CZ 4.06Å; F161-F225 HydrophobicContact CB-CE2 3.83Å; F161-F225 HydrophobicContact CB-CZ 3.94Å; F161-F225 AromaticContact CD2-CZ 3.98Å; F161-F225 HydrophobicContact CD2-CZ 3.98Å; F161-F225 HydrophobicContact CG-CZ 4.23Å; L184-F225 HydrophobicContact CD2-CE1 3.88Å; L184-F225 HydrophobicContact CD2-CZ 4.41Å; A187-F225 HydrophobicContact CB-CE1 4.28Å; W220-F225 HydrophobicContact CD2-CD1 4.34Å; W220-F225 HydrophobicContact CE3-CD1 4.1Å; W220-F225 AromaticContact CH2-CD1 3.69Å; W220-F225 HydrophobicContact CH2-CD1 3.69Å; W220-F225 HydrophobicContact CH2-CE1 4.49Å; W220-F225 HydrophobicContact CZ2-CB 3.99Å; W220-F225 AromaticContact CZ2-CD1 3.93Å; W220-F225 HydrophobicContact CZ2-CD1 3.93Å; W220-F225 HydrophobicContact CZ2-CG 4.48Å; W220-F225 AromaticContact CZ3-CD1 3.79Å; W220-F225 HydrophobicContact CZ3-CD1 3.79Å; W220-F225 HydrophobicContact CZ3-CE1 4.24Å; W220-F225 VanDerWaalsContact NE1-C 3.28Å; W220-F225 PolarHBondContact O-N 3.47Å; A221-F225 HydrophobicContact CB-CD1 4.26Å; A221-F225 HydrophobicContact CB-CE1 3.6Å; A221-F225 HydrophobicContact CB-CE2 4.25Å; A221-F225 HydrophobicContact CB-CZ 3.59Å; F225-S228 PolarHBondContact O-OG 3.23Å; F225-G229 WeakPolarHBondContact O-CA 3.45Å; F225-G229 PolarHBondContact O-N 3.49Å; F225-L233 HydrophobicContact CD1-CD1 4.12Å; F225-L233 HydrophobicContact CD1-CD2 3.78Å; F225-L233 HydrophobicContact CD1-CG 4.43Å; F225-L233 HydrophobicContact CD2-CD1 3.83Å; F225-L233 HydrophobicContact CE1-CD1 4.18Å; F225-L233 HydrophobicContact CE1-CD2 4.11Å; F225-L233 HydrophobicContact CE2-CD1 3.93Å; F225-L233 HydrophobicContact CG-CD1 3.94Å; F225-L233 HydrophobicContact CG-CD2 4.17Å; F225-L233 HydrophobicContact CG-CG 4.37Å; F225-L233 HydrophobicContact CZ-CD1 4.08Å
226	Q	87.9	Confident	89.5	Confident	118 Å²	118	51.8 Å²	51.8	55%	0.551	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	145.2	-179.8	-65.9	-64.2	-24.8	0	0	113.3	W220 G223 G224	W220-Q226 VanDerWaalsContact CD1-O 3.24Å; W220-Q226 PolarHBondContact NE1-O 3.48Å; G223-Q226 WeakPolarHBondContact O-CG 3.15Å; G224-Q226 PolarHBondContact O-N 3.27Å
227	P	85.3	Confident	88.9	Confident	110 Å²	110	55.3 Å²	55.3	71%	0.714	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.5	-14.3	10.9	35.5	-36	0	0	0	114.9	G229	P227-G229 VanDerWaalsContact C-N 3.31Å
228	S	86.2	Confident	87.9	Confident	42 Å²	42	62.3 Å²	62.3	29%	0.294	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.6	-177.7	50.2	0	0	0	0	112.6	A191 F225	A191-S228 WeakPolarHBondContact CB-OG 3.28Å; F225-S228 PolarHBondContact O-OG 3.23Å
229	G	88.1	Confident	86.9	Confident	5 Å²	5	64.3 Å²	64.3	5%	0.052	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	62.6	-157.2	179.6	0	0	0	0	0	112	G224 F225 P227 K231 G232	G224-G229 WeakPolarHBondContact O-CA 3.19Å; F225-G229 WeakPolarHBondContact O-CA 3.45Å; F225-G229 PolarHBondContact O-N 3.49Å; P227-G229 VanDerWaalsContact C-N 3.31Å; G229-K231 PolarHBondContact O-N 2.96Å; G229-K231 VanDerWaalsContact O-N 3.13Å; G229-G232 PolarHBondContact O-N 2.86Å
230	P	88.2	Confident	86	Confident	78 Å²	78	62.7 Å²	62.7	51%	0.506	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55.4	-31.3	179	-27.4	35.5	0	0	0	114.3	G232 L233	P230-G232 PolarHBondContact O-N 3.04Å; P230-L233 WeakPolarHBondContact O-CB 3.47Å; P230-L233 PolarHBondContact O-N 3.07Å; P230-L233 VanDerWaalsContact O-N 3.14Å
231	K	86.6	Confident	84.6	Confident	165 Å²	165	65.3 Å²	65.3	72%	0.717	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-64.2	-30.1	179	-65.8	-172.7	177	-174.4	0	112.6	G229 L233 E234	G229-K231 PolarHBondContact O-N 2.96Å; G229-K231 VanDerWaalsContact O-N 3.13Å; K231-L233 PolarHBondContact O-N 3.19Å; K231-E234 PolarHBondContact O-N 3.21Å
232	G	86.9	Confident	83	Confident	12 Å²	12	67 Å²	67	12%	0.124	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-70.5	-5.1	176.4	0	0	0	0	0	114.6	R190 A191 G229 P230	R190-G232 CarbonylContact C-O 3.5Å; R190-G232 WeakPolarHBondContact CB-O 3.31Å; A191-G232 WeakPolarHBondContact CA-O 3.34Å; A191-G232 PolarHBondContact N-O 3.16Å; A191-G232 VanDerWaalsContact N-O 3.11Å; G229-G232 PolarHBondContact O-N 2.86Å; P230-G232 PolarHBondContact O-N 3.04Å
233	L	90.3	Very high	81	Confident	12 Å²	12	69.6 Å²	69.6	6%	0.063	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-99.6	-9.4	-179.6	-54.9	-179.1	0	0	0	113.1	L158 A187 R190 F225 P230 K231	L158-L233 HydrophobicContact CB-CD1 4.31Å; L158-L233 HydrophobicContact CD2-CD1 4.31Å; L158-L233 HydrophobicContact CG-CD1 4.47Å; A187-L233 HydrophobicContact CB-CD2 3.53Å; R190-L233 WeakPolarHBondContact CD-O 3.49Å; R190-L233 PolarHBondContact NH1-O 2.99Å; F225-L233 HydrophobicContact CD1-CD1 4.12Å; F225-L233 HydrophobicContact CD1-CD2 3.78Å; F225-L233 HydrophobicContact CD1-CG 4.43Å; F225-L233 HydrophobicContact CD2-CD1 3.83Å; F225-L233 HydrophobicContact CE1-CD1 4.18Å; F225-L233 HydrophobicContact CE1-CD2 4.11Å; F225-L233 HydrophobicContact CE2-CD1 3.93Å; F225-L233 HydrophobicContact CG-CD1 3.94Å; F225-L233 HydrophobicContact CG-CD2 4.17Å; F225-L233 HydrophobicContact CG-CG 4.37Å; F225-L233 HydrophobicContact CZ-CD1 4.08Å; P230-L233 WeakPolarHBondContact O-CB 3.47Å; P230-L233 PolarHBondContact O-N 3.07Å; P230-L233 VanDerWaalsContact O-N 3.14Å; K231-L233 PolarHBondContact O-N 3.19Å
234	E	89.1	Confident	79.1	Confident	119 Å²	119	75.7 Å²	75.7	56%	0.556	39%	0.386	S	S	*	.	S	Bend	trans	-58.9	140.2	-179.4	-69.1	178.9	-168.9	0	0	110.6	K231	K231-E234 PolarHBondContact O-N 3.21Å
235	P	89.3	Confident	76.6	Confident	11 Å²	11	83.4 Å²	83.4	7%	0.071	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-64.2	144.5	179.9	22.5	-29.3	0	0	0	111.8	E105 E239 K240	E105-P235 HydrophobicContact CG-CG 4.36Å; P235-E239 HydrophobicContact CB-CB 4.12Å; P235-K240 HydrophobicContact CB-CG 4.11Å; P235-K240 HydrophobicContact CG-CD 4.4Å; P235-K240 HydrophobicContact CG-CG 3.77Å; P235-K240 WeakPolarHBondContact O-CE 3.23Å
236	P	84.4	Confident	73.7	Confident	50 Å²	50	89.2 Å²	89.2	33%	0.325	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-57.1	155.5	165.1	-21.4	32.3	0	0	0	111.8	E238 E239 K240	P236-E238 VanDerWaalsContact CB-OE2 3.23Å; P236-E238 WeakPolarHBondContact CB-OE2 3.21Å; P236-E238 PolarHBondContact O-N 3.13Å; P236-E239 WeakPolarHBondContact CD-OE1 3.42Å; P236-E239 PolarHBondContact O-N 2.92Å; P236-K240 PolarHBondContact O-N 2.9Å
237	E	75.4	Confident	71.1	Confident	129 Å²	129	94.2 Å²	94.2	60%	0.603	47%	0.466	S	S	*	.	H	α-helix	trans	-60.1	-29.1	-179.5	-72.1	-60.5	131.1	0	0	112.6	E239 K240	E237-E239 VanDerWaalsContact C-N 3.34Å; E237-K240 PolarHBondContact O-N 2.72Å; E237-K240 IonicContact OE1-NZ 2.75Å; E237-K240 PolarHBondContact OE1-NZ 3.38Å
238	E	70.2	Confident	68.4	Low	154 Å²	154	94.9 Å²	94.9	72%	0.72	47%	0.468	S	S	*	.	H	α-helix	trans	-68	-32.2	175.5	-57.5	75.5	-162	0	0	112.4	P236	P236-E238 VanDerWaalsContact CB-OE2 3.23Å; P236-E238 WeakPolarHBondContact CB-OE2 3.21Å; P236-E238 PolarHBondContact O-N 3.13Å
239	E	72.4	Confident	65.6	Low	55 Å²	55	100.5 Å²	100.5	26%	0.257	50%	0.495	S	S	.	.	H	α-helix	trans	-82.5	-21.6	177.6	-72.6	-166.7	-117.3	0	0	112.8	I103 R120 R190 P235 P236 E237	I103-E239 WeakPolarHBondContact CG2-O 3.47Å; R120-E239 IonicContact NH1-OE2 3.83Å; R120-E239 PolarHBondContact NH1-OE2 3.44Å; R190-E239 IonicContact CZ-OE1 2.69Å; R190-E239 IonicContact CZ-OE2 3.83Å; R190-E239 IonicContact NE-OE1 3.92Å; R190-E239 IonicContact NH2-OE1 2.65Å; R190-E239 PolarHBondContact NH2-OE1 3.37Å; R190-E239 IonicContact NH2-OE2 3.85Å; R190-E239 PolarHBondContact NH2-OE2 3.08Å; P235-E239 HydrophobicContact CB-CB 4.12Å; P236-E239 WeakPolarHBondContact CD-OE1 3.42Å; P236-E239 PolarHBondContact O-N 2.92Å; E237-E239 VanDerWaalsContact C-N 3.34Å
240	K	72.9	Confident	62.7	Low	81 Å²	81	108.7 Å²	108.7	35%	0.352	53%	0.534	S	S	.	.	H	α-helix	trans	-75.6	-26.9	178.7	-70.1	179.6	-172.3	166.1	0	113	P235 P236 E237	P235-K240 HydrophobicContact CB-CG 4.11Å; P235-K240 HydrophobicContact CG-CD 4.4Å; P235-K240 HydrophobicContact CG-CG 3.77Å; P235-K240 WeakPolarHBondContact O-CE 3.23Å; P236-K240 PolarHBondContact O-N 2.9Å; E237-K240 PolarHBondContact O-N 2.72Å; E237-K240 IonicContact OE1-NZ 2.75Å; E237-K240 PolarHBondContact OE1-NZ 3.38Å
241	N	65.2	Low	59.8	Low	79 Å²	79	116.1 Å²	116.1	42%	0.422	55%	0.552	S	S	.	*			trans	-131.1	83.6	-176.4	-161.1	-5.5	0	0	0	113.5	Y243	N241-Y243 PolarHBondContact O-N 3.1Å; N241-Y243 WeakPolarHBondContact OD1-CD2 3.17Å
242	P	58.6	Low	57	Low	36 Å²	36	114.7 Å²	114.7	23%	0.234	56%	0.557	C	S	.	*	G	3₁₀ helix	trans	-64.4	-5	178.8	-26.4	37	0	0	0	116.5	I103 W125 M126	I103-P242 HydrophobicContact CG2-CG 4.13Å; W125-P242 HydrophobicContact CZ2-CB 3.63Å; W125-P242 HydrophobicContact CZ2-CG 3.43Å; W125-P242 VanDerWaalsContact CZ2-CG 3.43Å; M126-P242 HydrophobicContact CE-CB 4.39Å; M126-P242 HydrophobicContact CE-CG 4.37Å
243	Y	50.8	Low	54.1	Low	130 Å²	130	122 Å²	122	51%	0.51	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-85.4	-3.8	-173.8	-68.2	-69.7	0	0	0	114.9	W125 N241 E245	W125-Y243 AromaticContact CD2-CE1 3.9Å; W125-Y243 HydrophobicContact CD2-CE1 3.9Å; W125-Y243 HydrophobicContact CD2-CE2 4.49Å; W125-Y243 AromaticContact CD2-CZ 3.94Å; W125-Y243 HydrophobicContact CE3-CD1 4.49Å; W125-Y243 AromaticContact CE3-CE1 3.49Å; W125-Y243 HydrophobicContact CE3-CE1 3.49Å; W125-Y243 VanDerWaalsContact CE3-CE1 3.49Å; W125-Y243 AromaticContact CE3-CE2 3.88Å; W125-Y243 HydrophobicContact CE3-CE2 3.88Å; W125-Y243 AromaticContact CE3-CZ 3.17Å; W125-Y243 AromaticContact CH2-CD2 3.79Å; W125-Y243 HydrophobicContact CH2-CD2 3.79Å; W125-Y243 HydrophobicContact CH2-CE1 4.16Å; W125-Y243 AromaticContact CH2-CE2 3.03Å; W125-Y243 HydrophobicContact CH2-CE2 3.03Å; W125-Y243 AromaticContact CH2-CZ 3.32Å; W125-Y243 HydrophobicContact CZ2-CD2 4.03Å; W125-Y243 HydrophobicContact CZ2-CE1 4.45Å; W125-Y243 AromaticContact CZ2-CE2 3.7Å; W125-Y243 HydrophobicContact CZ2-CE2 3.7Å; W125-Y243 AromaticContact CZ2-CZ 3.99Å; W125-Y243 HydrophobicContact CZ3-CD2 4.24Å; W125-Y243 AromaticContact CZ3-CE1 3.72Å; W125-Y243 HydrophobicContact CZ3-CE1 3.72Å; W125-Y243 AromaticContact CZ3-CE2 3.17Å; W125-Y243 HydrophobicContact CZ3-CE2 3.17Å; W125-Y243 AromaticContact CZ3-CZ 2.88Å; W125-Y243 WeakPolarHBondContact CZ3-OH 3.08Å; N241-Y243 PolarHBondContact O-N 3.1Å; N241-Y243 WeakPolarHBondContact OD1-CD2 3.17Å; Y243-E245 PolarHBondContact O-N 3.41Å
244	K	49.9	Very low	51.3	Low	178 Å²	178	126.5 Å²	126.5	77%	0.774	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-76	-13.6	-172.6	-106.9	179.9	177.3	177.2	0	115.6
245	E	37.3	Very low	48.4	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.874	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-107.9	6	-171	-74.1	-166.7	159.7	0	0	116.7	Y243	Y243-E245 PolarHBondContact O-N 3.41Å
246	V	33.3	Very low	45.4	Very low	122 Å²	122	134.5 Å²	134.5	74%	0.739	67%	0.671	S	S	*	*	S	Bend	trans	-120.3	3	-174.8	-169.1	0	0	0	0	114.7
247	Y	32.6	Very low	42.7	Very low	223 Å²	223	136.8 Å²	136.8	88%	0.875	69%	0.694	S	S	*	*	S	Bend	trans	-129.3	62	174.3	-92.6	-88.2	0	0	0	111.5
248	T	29.3	Very low	40.4	Very low	125 Å²	125	135 Å²	135	77%	0.767	70%	0.701	S	S	*	*			trans	-146.7	70.2	155.9	-53	0	0	0	0	108.3
249	D	27	Very low	38.4	Very low	159 Å²	159	138.3 Å²	138.3	85%	0.85	71%	0.709	S	S	*	*			trans	-157.4	83.1	146	-92	-30.9	0	0	0	107.3	W251	D249-W251 PolarHBondContact O-N 2.86Å
250	M	26.6	Very low	36.2	Very low	177 Å²	177	139.7 Å²	139.7	87%	0.872	73%	0.73	S	S	*	*			trans	-65.9	118.9	171.5	-95.8	172.2	53.3	0	0	109.2	V252	M250-V252 PolarHBondContact O-N 3.31Å
251	W	27.6	Very low	34.1	Very low	235 Å²	235	141.6 Å²	141.6	89%	0.89	75%	0.75	S	S	*	*			trans	-32.9	119	147	-82.5	62.3	0	0	0	111.4	D249	D249-W251 PolarHBondContact O-N 2.86Å
252	V	28.6	Very low	33	Very low	134 Å²	134	143.3 Å²	143.3	81%	0.812	77%	0.766	S	S	*	*			trans	-83	121.8	167.3	175.9	0	0	0	0	107.6	M250	M250-V252 PolarHBondContact O-N 3.31Å
253	E	24.7	Very low	32	Very low	167 Å²	167	147.2 Å²	147.2	78%	0.78	79%	0.791	S	S	*	*			trans	-133.1	144.8	160.2	-94.2	-81.9	138.2	0	0	108.3
254	P	31.5	Very low	31.4	Very low	105 Å²	105	146.7 Å²	146.7	68%	0.682	80%	0.804	S	S	*	*			trans	-88.3	159.2	-149.3	33.8	-33.1	0	0	0	115.3
255	E	28.9	Very low	30.6	Very low	199 Å²	199	142.3 Å²	142.3	93%	0.93	80%	0.801	S	S	*	*			trans	-56.1	138.8	178.9	-70.3	175.1	129.2	0	0	114.8
256	A	27.1	Very low	30	Very low	100 Å²	100	143.5 Å²	143.5	83%	0.826	80%	0.803	S	S	*	*				-179.1	143.2	119.8	0	0	0	0	0	113.7
257	A	27.4	Very low	29.8	Very low	97 Å²	97	147.2 Å²	147.2	80%	0.802	81%	0.809	S	S	*	*			trans	89.5	83.4	151.6	0	0	0	0	0	121.2
258	A	27.1	Very low	29.9	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	81%	0.805	S	S	*	*				38.8	140.8	116.3	0	0	0	0	0	124.9
259	Y	27.3	Very low	29.8	Very low	223 Å²	223	148.6 Å²	148.6	88%	0.875	82%	0.815	S	S	*	*			trans	99.8	97.4	151	-83.8	-85.4	0	0	0	122.6
260	A	27	Very low	29.7	Very low	84 Å²	84	150.7 Å²	150.7	69%	0.694	82%	0.816	S	S	*	*				70	170.4	119.7	0	0	0	0	0	122
261	P	29.2	Very low	29.7	Very low	122 Å²	122	147.6 Å²	147.6	79%	0.792	81%	0.812	S	S	*	*				-116.7	173.1	-103.8	24.7	-1.4	0	0	0	115.8
262	P	41.4	Very low	29.5	Very low	115 Å²	115	142.7 Å²	142.7	75%	0.747	81%	0.808	S	S	*	*			trans	-86.3	165.6	178.9	38	-33.9	0	0	0	111.4
263	P	38.3	Very low	29.8	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	81%	0.806	S	S	*	*				-158.2	-143.4	55.3	42.1	-15.3	0	0	0	111.8
264	P	37.9	Very low	29.7	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	81%	0.813	S	S	*	*			cis	-137.3	180	-12.3	34.7	-10.9	0	0	0	117.5
265	A	32.8	Very low	29.6	Very low	87 Å²	87	148.1 Å²	148.1	72%	0.719	82%	0.821	S	S	*	*			trans	-50.1	160.5	-177.7	0	0	0	0	0	120.2
266	K	25.5	Very low	30.2	Very low	211 Å²	211	143.8 Å²	143.8	92%	0.917	81%	0.81	S	S	*	*				-167.3	144.9	121	-102.3	163.2	-170.7	179.2	0	114.1
267	K	27.3	Very low	30.2	Very low	201 Å²	201	146.1 Å²	146.1	87%	0.874	80%	0.802	S	S	*	*			trans	-77.6	-164.1	-174	-53.7	174.6	174.9	177.7	0	112.8
268	P	36.5	Very low	30.5	Very low	122 Å²	122	146.9 Å²	146.9	79%	0.792	80%	0.796	S	S	*	*				-117.2	166.1	-98.5	34.3	-14.6	0	0	0	112.6
269	R	25.9	Very low	31	Very low	255 Å²	255	149.1 Å²	149.1	96%	0.962	79%	0.789	S	S	*	*			trans	-136.7	139.3	163.5	-120.6	177.4	180	175.8	-0.7	111.7
270	K	25.8	Very low	31.4	Very low	203 Å²	203	142.3 Å²	142.3	88%	0.883	77%	0.765	S	S	*	*			trans	-65.1	151.8	-161	-72.6	173.5	173.6	178.5	0	114.7
271	S	26.4	Very low	31.9	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	77%	0.77	S	S	*	*			trans	-56.9	149.9	166.5	53.7	0	0	0	0	113.4
272	T	23.8	Very low	32.5	Very low	132 Å²	132	144.2 Å²	144.2	81%	0.81	75%	0.754	S	S	*	*			trans	-130.7	113.9	146.5	23.1	0	0	0	0	106.9
273	T	34	Very low	32.7	Very low	125 Å²	125	142.7 Å²	142.7	77%	0.767	74%	0.74	S	S	*	*			trans	29.9	122.4	149.5	21.4	0	0	0	0	118.1
274	E	23.9	Very low	33	Very low	196 Å²	196	143.5 Å²	143.5	92%	0.916	73%	0.733	S	S	*	*				-164.8	172.2	85.8	-91.8	-177.3	171.6	0	0	114.5
275	K	27.6	Very low	34.1	Very low	199 Å²	199	146.7 Å²	146.7	87%	0.865	73%	0.73	S	S	*	*			trans	-68.5	169	-157.4	-81.1	175.9	179.6	175.9	0	118.5
276	P	41.4	Very low	36	Very low	108 Å²	108	143 Å²	143	70%	0.701	70%	0.698	S	S	*	*			trans	-91.3	160.9	-161.7	37.2	-33	0	0	0	114.5
277	K	28	Very low	38.9	Very low	149 Å²	149	133.4 Å²	133.4	65%	0.648	66%	0.656	S	S	*	*			trans	-135.5	93.8	164.8	-66.8	-171	178.7	-171.7	0	107.9	E293	K277-E293 IonicContact NZ-OE1 3.88Å
278	V	34.3	Very low	41.8	Very low	112 Å²	112	128.6 Å²	128.6	68%	0.679	64%	0.637	S	S	*	*				60.2	109.7	85.1	-177.3	0	0	0	0	112.7
279	K	37.2	Very low	44.3	Very low	140 Å²	140	128.2 Å²	128.2	61%	0.609	62%	0.62	S	S	*	*			trans	-56.1	130.1	161	-84.9	178.8	174.5	172.9	0	109.1	E134	E134-K279 IonicContact OE1-NZ 3.89Å; E134-K279 PolarHBondContact OE1-NZ 3.12Å; E134-K279 VanDerWaalsContact OE2-CE 3.26Å; E134-K279 WeakPolarHBondContact OE2-CE 3.27Å; E134-K279 IonicContact OE2-NZ 2.88Å; E134-K279 PolarHBondContact OE2-NZ 3.46Å
280	E	34.8	Very low	47.5	Very low	80 Å²	80	116.2 Å²	116.2	37%	0.374	58%	0.575	S	S	.	*			trans	-109.2	108.1	168.9	-81.9	179.8	163.6	0	0	110.7	T286 R289	E280-T286 HydrophobicContact CB-CG2 4.41Å; E280-T286 HydrophobicContact CG-CG2 4.45Å; E280-T286 WeakPolarHBondContact OE2-CG2 3.28Å; E280-R289 IonicContact OE1-NH1 3.33Å; E280-R289 PolarHBondContact OE1-NH1 3.39Å
281	I	37.8	Very low	50.6	Low	154 Å²	154	106.7 Å²	106.7	79%	0.79	53%	0.534	S	S	*	.			trans	-50.3	131.6	139.1	-64.6	161.6	0	0	0	106.3	D283	I281-D283 VanDerWaalsContact C-N 3.32Å; I281-D283 PolarHBondContact O-N 3.42Å
282	I	41.9	Very low	53.8	Low	92 Å²	92	107.9 Å²	107.9	47%	0.472	52%	0.522	S	S	.	.			trans	-72.4	92.7	177	-57.4	175.4	0	0	0	107.8	C308	I282-C308 WeakPolarHBondContact CG2-O 3.3Å
283	D	44.7	Very low	57	Low	83 Å²	83	103 Å²	103	44%	0.444	49%	0.49	S	S	.	.			trans	-76.6	146.1	163.5	-178.1	3.6	0	0	0	108.1	I281 R285 T286	I281-D283 VanDerWaalsContact C-N 3.32Å; I281-D283 PolarHBondContact O-N 3.42Å; D283-R285 PolarHBondContact O-N 2.75Å; D283-R285 VanDerWaalsContact O-N 3.17Å; D283-R285 PolarHBondContact OD1-N 2.93Å; D283-R285 WeakPolarHBondContact OD2-CB 3.49Å; D283-T286 PolarHBondContact N-OG1 3.24Å; D283-T286 WeakPolarHBondContact O-CA 3.11Å; D283-T286 WeakPolarHBondContact O-CB 3.32Å; D283-T286 PolarHBondContact O-N 3.04Å
284	E	46.5	Very low	59.9	Low	135 Å²	135	97.6 Å²	97.6	63%	0.631	46%	0.457	S	S	*	.	H	α-helix	trans	-54.4	-34.4	172.8	-81.4	175.2	173.1	0	0	110	T286 R287 E288	E284-T286 VanDerWaalsContact C-N 3.27Å; E284-T286 PolarHBondContact O-N 3.37Å; E284-R287 PolarHBondContact O-N 3.08Å; E284-E288 WeakPolarHBondContact O-CG 3.39Å
285	R	59.6	Low	63.2	Low	184 Å²	184	92.4 Å²	92.4	69%	0.694	43%	0.429	S	S	*	.	H	α-helix	trans	-65.4	-24.2	173.8	-64.6	179.9	170.5	-174.3	-1.3	114.3	D283 R289	D283-R285 PolarHBondContact O-N 2.75Å; D283-R285 VanDerWaalsContact O-N 3.17Å; D283-R285 PolarHBondContact OD1-N 2.93Å; D283-R285 WeakPolarHBondContact OD2-CB 3.49Å; R285-R289 VanDerWaalsContact O-CB 3.31Å; R285-R289 WeakPolarHBondContact O-CB 3.46Å; R285-R289 PolarHBondContact O-N 2.8Å
286	T	74.2	Confident	66.3	Low	9 Å²	9	87.8 Å²	87.8	6%	0.055	41%	0.411	C	S	.	.	H	α-helix	trans	-65.5	-45.6	176.8	-63.1	0	0	0	0	110.4	E280 D283 E284 E288 R289 L290	E280-T286 HydrophobicContact CB-CG2 4.41Å; E280-T286 HydrophobicContact CG-CG2 4.45Å; E280-T286 WeakPolarHBondContact OE2-CG2 3.28Å; D283-T286 PolarHBondContact N-OG1 3.24Å; D283-T286 WeakPolarHBondContact O-CA 3.11Å; D283-T286 WeakPolarHBondContact O-CB 3.32Å; D283-T286 PolarHBondContact O-N 3.04Å; E284-T286 VanDerWaalsContact C-N 3.27Å; E284-T286 PolarHBondContact O-N 3.37Å; T286-E288 VanDerWaalsContact C-N 3.35Å; T286-E288 PolarHBondContact O-N 3.44Å; T286-R289 PolarHBondContact O-N 3.29Å; T286-L290 HydrophobicContact CG2-CD1 3.8Å; T286-L290 HydrophobicContact CG2-CG 4.28Å; T286-L290 WeakPolarHBondContact O-CB 3.41Å; T286-L290 WeakPolarHBondContact O-CG 3.44Å; T286-L290 PolarHBondContact O-N 2.84Å
287	R	85.2	Confident	68.7	Low	10 Å²	10	92 Å²	92	4%	0.038	42%	0.418	C	S	.	.	H	α-helix	trans	-61.7	-44.1	178	-173.2	-178.2	-179.4	-158.1	1.8	111.2	E284 L290 V291 I306 S307 E372 C373 L376	E284-R287 PolarHBondContact O-N 3.08Å; R287-L290 PolarHBondContact O-N 2.83Å; R287-V291 VanDerWaalsContact O-CG2 3.28Å; R287-V291 WeakPolarHBondContact O-CG2 3Å; R287-V291 PolarHBondContact O-N 3.44Å; R287-I306 PolarHBondContact NE-O 3.38Å; R287-I306 PolarHBondContact NH2-O 3.45Å; R287-S307 PolarHBondContact NH2-O 2.9Å; R287-E372 IonicContact CZ-OE1 3.92Å; R287-E372 IonicContact NH1-OE1 3.78Å; R287-E372 PolarHBondContact NH1-OE1 3.21Å; R287-C373 PolarHBondContact NH2-SG 3.34Å; R287-L376 HydrophobicContact CG-CD1 4.21Å
288	E	88.1	Confident	71.8	Confident	100 Å²	100	89.4 Å²	89.4	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-45.9	177.8	-46.4	-169.2	140	0	0	112.1	E284 T286 L290 V291 Y292 L376	E284-E288 WeakPolarHBondContact O-CG 3.39Å; T286-E288 VanDerWaalsContact C-N 3.35Å; T286-E288 PolarHBondContact O-N 3.44Å; E288-L290 PolarHBondContact O-N 3.43Å; E288-V291 PolarHBondContact O-N 3.17Å; E288-Y292 WeakPolarHBondContact O-CB 3.47Å; E288-Y292 PolarHBondContact O-N 3.33Å; E288-L376 HydrophobicContact CB-CD2 3.98Å; E288-L376 HydrophobicContact CG-CD1 4.3Å; E288-L376 HydrophobicContact CG-CD2 3.66Å
289	R	89.7	Confident	74.5	Confident	114 Å²	114	88.1 Å²	88.1	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-59	-46.4	177	179.1	-170.2	176.5	171.3	12.2	111.6	E280 R285 T286 Y292 E293	E280-R289 IonicContact OE1-NH1 3.33Å; E280-R289 PolarHBondContact OE1-NH1 3.39Å; R285-R289 VanDerWaalsContact O-CB 3.31Å; R285-R289 WeakPolarHBondContact O-CB 3.46Å; R285-R289 PolarHBondContact O-N 2.8Å; T286-R289 PolarHBondContact O-N 3.29Å; R289-Y292 WeakPolarHBondContact O-CB 3.35Å; R289-Y292 PolarHBondContact O-N 3.31Å; R289-E293 IonicContact NE-OE1 3.04Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.33Å
290	L	92.1	Very high	77.3	Confident	3 Å²	3	86.6 Å²	86.6	2%	0.016	40%	0.399	C	S	.	.	H	α-helix	trans	-64.9	-42.5	-179.2	-69.6	174.8	0	0	0	111.7	T286 R287 E288 Y292 E293 V294 I304 G309 L311	T286-L290 HydrophobicContact CG2-CD1 3.8Å; T286-L290 HydrophobicContact CG2-CG 4.28Å; T286-L290 WeakPolarHBondContact O-CB 3.41Å; T286-L290 WeakPolarHBondContact O-CG 3.44Å; T286-L290 PolarHBondContact O-N 2.84Å; R287-L290 PolarHBondContact O-N 2.83Å; E288-L290 PolarHBondContact O-N 3.43Å; L290-Y292 VanDerWaalsContact C-N 3.3Å; L290-Y292 PolarHBondContact O-N 2.85Å; L290-E293 WeakPolarHBondContact O-CB 3.19Å; L290-E293 PolarHBondContact O-N 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.27Å; L290-V294 PolarHBondContact O-N 3.47Å; L290-I304 HydrophobicContact CB-CD1 4.38Å; L290-G309 WeakPolarHBondContact CD1-O 3.04Å; L290-L311 HydrophobicContact CD1-CD2 3.89Å; L290-L311 HydrophobicContact CD1-CG 4.41Å; L290-L311 HydrophobicContact CD2-CD2 3.99Å
291	V	92.4	Very high	80.2	Confident	4 Å²	4	84 Å²	84	2%	0.024	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-36	175	175.3	0	0	0	0	111.1	R287 E288 V294 R295 I304 L376 L377 L405	R287-V291 VanDerWaalsContact O-CG2 3.28Å; R287-V291 WeakPolarHBondContact O-CG2 3Å; R287-V291 PolarHBondContact O-N 3.44Å; E288-V291 PolarHBondContact O-N 3.17Å; V291-V294 WeakPolarHBondContact O-CB 3.36Å; V291-V294 PolarHBondContact O-N 3.45Å; V291-R295 PolarHBondContact O-N 2.99Å; V291-I304 HydrophobicContact CG2-CD1 4.26Å; V291-L376 WeakPolarHBondContact CG1-O 3.07Å; V291-L377 HydrophobicContact CG1-CD2 4.42Å; V291-L377 HydrophobicContact CG2-CD2 4.05Å; V291-L405 HydrophobicContact CG1-CD1 3.79Å
292	Y	91.7	Very high	83	Confident	137 Å²	137	80.8 Å²	80.8	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-44.7	171.2	179.4	-93.9	0	0	0	112.1	E288 R289 L290 V294 R295 Q296	E288-Y292 WeakPolarHBondContact O-CB 3.47Å; E288-Y292 PolarHBondContact O-N 3.33Å; R289-Y292 WeakPolarHBondContact O-CB 3.35Å; R289-Y292 PolarHBondContact O-N 3.31Å; L290-Y292 VanDerWaalsContact C-N 3.3Å; L290-Y292 PolarHBondContact O-N 2.85Å; Y292-V294 VanDerWaalsContact C-N 3.26Å; Y292-V294 PolarHBondContact O-N 2.88Å; Y292-R295 WeakPolarHBondContact O-CB 3.25Å; Y292-R295 PolarHBondContact O-N 3.48Å; Y292-R295 VanDerWaalsContact O-N 3.09Å; Y292-Q296 HydrophobicContact CD1-CG 4.09Å; Y292-Q296 HydrophobicContact CE1-CG 3.64Å; Y292-Q296 HydrophobicContact CE2-CG 4.37Å; Y292-Q296 WeakPolarHBondContact O-CG 3.43Å; Y292-Q296 PolarHBondContact O-N 3.5Å; Y292-Q296 PolarHBondContact OH-NE2 3.04Å
293	E	92.6	Very high	85.5	Confident	28 Å²	28	80.8 Å²	80.8	13%	0.131	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-36.6	174.8	-71.1	-179.5	-179.3	0	0	111.9	K277 R289 L290 Q296 K297 C298 R299	K277-E293 IonicContact NZ-OE1 3.88Å; R289-E293 IonicContact NE-OE1 3.04Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.33Å; L290-E293 WeakPolarHBondContact O-CB 3.19Å; L290-E293 PolarHBondContact O-N 3.25Å; E293-Q296 CarbonylContact O-C 3.6Å; E293-Q296 PolarHBondContact O-N 3.24Å; E293-K297 PolarHBondContact O-N 2.89Å; E293-C298 HydrophobicContact CB-CB 4.37Å; E293-C298 WeakPolarHBondContact O-CB 3.44Å; E293-C298 PolarHBondContact O-N 3.35Å; E293-R299 HydrophobicContact CB-CG 4.37Å; E293-R299 VanDerWaalsContact OE2-CD 3.26Å; E293-R299 WeakPolarHBondContact OE2-CD 3.11Å; E293-R299 IonicContact OE2-CZ 3.63Å; E293-R299 IonicContact OE2-NE 2.69Å; E293-R299 PolarHBondContact OE2-NE 3.28Å; E293-R299 IonicContact OE2-NH1 3.32Å
294	V	94.4	Very high	88	Confident	13 Å²	13	77 Å²	77	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-43.7	172.9	174.4	0	0	0	0	111.6	L290 V291 Y292 Q296 K297 R299 I301 I304 L405	L290-V294 WeakPolarHBondContact O-CG2 3.27Å; L290-V294 PolarHBondContact O-N 3.47Å; V291-V294 WeakPolarHBondContact O-CB 3.36Å; V291-V294 PolarHBondContact O-N 3.45Å; Y292-V294 VanDerWaalsContact C-N 3.26Å; Y292-V294 PolarHBondContact O-N 2.88Å; V294-Q296 VanDerWaalsContact C-N 3.25Å; V294-Q296 PolarHBondContact O-N 3.1Å; V294-K297 WeakPolarHBondContact O-CA 3.46Å; V294-K297 PolarHBondContact O-N 3.27Å; V294-R299 HydrophobicContact CG2-CB 4.1Å; V294-I301 HydrophobicContact CG1-CB 3.94Å; V294-I304 HydrophobicContact CG2-CD1 3.83Å; V294-L405 HydrophobicContact CB-CD1 4.21Å; V294-L405 HydrophobicContact CG1-CD1 3.82Å; V294-L405 HydrophobicContact CG1-CD2 4.11Å
295	R	92.8	Very high	90.3	Very high	86 Å²	86	70.6 Å²	70.6	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-36.2	175.4	-69.5	-174.8	172.3	135.6	-6.5	112.2	V291 Y292 K297 D375 L376 G379 L405	V291-R295 PolarHBondContact O-N 2.99Å; Y292-R295 WeakPolarHBondContact O-CB 3.25Å; Y292-R295 PolarHBondContact O-N 3.48Å; Y292-R295 VanDerWaalsContact O-N 3.09Å; R295-K297 PolarHBondContact O-N 3.39Å; R295-D375 PolarHBondContact NH2-O 3.1Å; R295-L376 VanDerWaalsContact CZ-O 3.25Å; R295-L376 PolarHBondContact NH2-O 3.3Å; R295-G379 VanDerWaalsContact NH2-CA 3.35Å; R295-L405 HydrophobicContact CG-CD1 3.47Å; R295-L405 VanDerWaalsContact CG-CD1 3.47Å; R295-L405 HydrophobicContact CG-CD2 4.24Å; R295-L405 HydrophobicContact CG-CG 4Å
296	Q	93.5	Very high	92.1	Very high	103 Å²	103	61.9 Å²	61.9	48%	0.481	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4	175.1	-61.4	-56.1	-38	0	0	113.4	Y292 E293 V294 C298	Y292-Q296 HydrophobicContact CD1-CG 4.09Å; Y292-Q296 HydrophobicContact CE1-CG 3.64Å; Y292-Q296 HydrophobicContact CE2-CG 4.37Å; Y292-Q296 WeakPolarHBondContact O-CG 3.43Å; Y292-Q296 PolarHBondContact O-N 3.5Å; Y292-Q296 PolarHBondContact OH-NE2 3.04Å; E293-Q296 CarbonylContact O-C 3.6Å; E293-Q296 PolarHBondContact O-N 3.24Å; V294-Q296 VanDerWaalsContact C-N 3.25Å; V294-Q296 PolarHBondContact O-N 3.1Å; Q296-C298 PolarHBondContact O-N 2.96Å
297	K	91.8	Very high	93	Very high	196 Å²	196	61.8 Å²	61.8	85%	0.852	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	25.2	-176.8	-54.7	-177.6	178	-179.5	0	113.7	E293 V294 R295	E293-K297 PolarHBondContact O-N 2.89Å; V294-K297 WeakPolarHBondContact O-CA 3.46Å; V294-K297 PolarHBondContact O-N 3.27Å; R295-K297 PolarHBondContact O-N 3.39Å
298	C	91.9	Very high	93.3	Very high	95 Å²	95	63 Å²	63	64%	0.642	30%	0.296	S	S	*	.	S	Bend	trans	-86.2	-13.9	176.2	-58.1	0	0	0	0	112.5	E293 Q296	E293-C298 HydrophobicContact CB-CB 4.37Å; E293-C298 WeakPolarHBondContact O-CB 3.44Å; E293-C298 PolarHBondContact O-N 3.35Å; Q296-C298 PolarHBondContact O-N 2.96Å
299	R	92.5	Very high	93.5	Very high	84 Å²	84	58.3 Å²	58.3	32%	0.317	28%	0.275	S	S	.	.	S	Bend	trans	-147.5	151.4	179.5	-71.7	-167	151.9	-177.7	-15.4	111.1	E293 V294	E293-R299 HydrophobicContact CB-CG 4.37Å; E293-R299 VanDerWaalsContact OE2-CD 3.26Å; E293-R299 WeakPolarHBondContact OE2-CD 3.11Å; E293-R299 IonicContact OE2-CZ 3.63Å; E293-R299 IonicContact OE2-NE 2.69Å; E293-R299 PolarHBondContact OE2-NE 3.28Å; E293-R299 IonicContact OE2-NH1 3.32Å; V294-R299 HydrophobicContact CG2-CB 4.1Å
300	N	95.8	Very high	93.5	Very high	108 Å²	108	53.9 Å²	53.9	58%	0.578	26%	0.262	S	S	*	.			trans	-83	146	170.6	-52.8	-52.3	0	0	0	110.2	E302 D303	N300-E302 PolarHBondContact O-N 3.04Å; N300-D303 WeakPolarHBondContact CB-OD2 3.44Å; N300-D303 PolarHBondContact ND2-OD2 3.32Å; N300-D303 PolarHBondContact O-N 2.92Å
301	I	95.9	Very high	93.5	Very high	25 Å²	25	57.8 Å²	57.8	13%	0.128	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-67.9	-23.8	177.7	-165.6	158.7	0	0	0	112.7	V294 D303 I304 I306 V321 G322 G323 L405	V294-I301 HydrophobicContact CG1-CB 3.94Å; I301-D303 VanDerWaalsContact C-N 3.29Å; I301-I304 WeakPolarHBondContact O-CG1 3.37Å; I301-I304 PolarHBondContact O-N 3.4Å; I301-I306 HydrophobicContact CD1-CG2 4.18Å; I301-I306 HydrophobicContact CG1-CG2 3.67Å; I301-V321 HydrophobicContact CG2-CG1 3.88Å; I301-G322 WeakPolarHBondContact O-CA 3.32Å; I301-G323 PolarHBondContact O-N 2.81Å; I301-L405 HydrophobicContact CD1-CB 3.95Å
302	E	96.1	Very high	93.4	Very high	87 Å²	87	62.8 Å²	62.8	41%	0.407	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-75	-20.5	178.6	-60.1	-169.9	141.3	0	0	112.6	N300 I304 V321 G323 R409	N300-E302 PolarHBondContact O-N 3.04Å; E302-I304 VanDerWaalsContact C-N 3.27Å; E302-I304 PolarHBondContact O-N 3.36Å; E302-V321 HydrophobicContact CG-CG1 3.98Å; E302-G323 WeakPolarHBondContact O-CA 3.38Å; E302-G323 PolarHBondContact O-N 2.88Å; E302-R409 IonicContact OE1-NH1 2.78Å; E302-R409 IonicContact OE1-NH2 3.51Å
303	D	95.2	Very high	93.5	Very high	92 Å²	92	58.5 Å²	58.5	49%	0.492	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-85.1	0.1	178.5	-58.9	-34.7	0	0	0	112.8	N300 I301	N300-D303 WeakPolarHBondContact CB-OD2 3.44Å; N300-D303 PolarHBondContact ND2-OD2 3.32Å; N300-D303 PolarHBondContact O-N 2.92Å; I301-D303 VanDerWaalsContact C-N 3.29Å
304	I	95.5	Very high	93.5	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	31%	0.312	C	S	.	.	S	Bend	trans	-125.6	143.1	178	68.9	168.8	0	0	0	110.8	L290 V291 V294 I301 E302 I306 L311 V313 G323	L290-I304 HydrophobicContact CB-CD1 4.38Å; V291-I304 HydrophobicContact CG2-CD1 4.26Å; V294-I304 HydrophobicContact CG2-CD1 3.83Å; I301-I304 WeakPolarHBondContact O-CG1 3.37Å; I301-I304 PolarHBondContact O-N 3.4Å; E302-I304 VanDerWaalsContact C-N 3.27Å; E302-I304 PolarHBondContact O-N 3.36Å; I304-I306 PolarHBondContact O-N 2.98Å; I304-I306 VanDerWaalsContact O-N 3.08Å; I304-L311 HydrophobicContact CG2-CD2 3.71Å; I304-V313 VanDerWaalsContact C-CG2 3.44Å; I304-G323 CarbonylContact O-C 3.55Å; I304-G323 WeakPolarHBondContact O-CA 3.39Å; I304-G323 PolarHBondContact O-N 3.42Å
305	C	95.8	Very high	93.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-68.6	106.7	170.8	-179	0	0	0	0	109.1	S307 C308 G309 S310 G323 C325	C305-S307 PolarHBondContact O-N 3.33Å; C305-C308 PolarHBondContact O-N 3.26Å; C305-G309 VanDerWaalsContact O-CA 3.3Å; C305-G309 WeakPolarHBondContact O-CA 3.49Å; C305-G309 PolarHBondContact O-N 3.18Å; C305-S310 WeakPolarHBondContact CB-O 3.25Å; C305-S310 PolarHBondContact N-O 3.23Å; C305-G323 CarbonylContact C-O 3.07Å; C305-G323 VanDerWaalsContact CA-O 3.3Å; C305-G323 WeakPolarHBondContact CA-O 3.47Å; C305-C325 HydrophobicContact CB-CB 4.23Å; C305-C325 PolarHBondContact SG-N 3.44Å; C305-C325 VanDerWaalsContact SG-N 3.39Å
306	I	96.2	Very high	93.6	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.9	-177.6	61.6	167.6	0	0	0	112.8	R287 I301 I304 H317 F320 G323 I350	R287-I306 PolarHBondContact NE-O 3.38Å; R287-I306 PolarHBondContact NH2-O 3.45Å; I301-I306 HydrophobicContact CD1-CG2 4.18Å; I301-I306 HydrophobicContact CG1-CG2 3.67Å; I304-I306 PolarHBondContact O-N 2.98Å; I304-I306 VanDerWaalsContact O-N 3.08Å; I306-H317 HydrophobicContact CD1-CB 3.78Å; I306-H317 HydrophobicContact CG1-CB 4Å; I306-F320 HydrophobicContact CD1-CB 3.9Å; I306-G323 PolarHBondContact N-O 3.09Å; I306-I350 HydrophobicContact CD1-CG2 4.42Å
307	S	94	Very high	93.8	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.042	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-40.9	178	-54.5	0	0	0	0	113	R287 C305 I350 C351	R287-S307 PolarHBondContact NH2-O 2.9Å; C305-S307 PolarHBondContact O-N 3.33Å; S307-I350 PolarHBondContact OG-O 3.02Å; S307-C351 VanDerWaalsContact O-CB 3.32Å; S307-C351 WeakPolarHBondContact O-CB 3.41Å
308	C	92.3	Very high	93.9	Very high	35 Å²	35	48 Å²	48	24%	0.236	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-4.8	-173.8	71.9	0	0	0	0	116	I282 C305 S310 C328	I282-C308 WeakPolarHBondContact CG2-O 3.3Å; C305-C308 PolarHBondContact O-N 3.26Å; C308-S310 VanDerWaalsContact C-N 3.34Å; C308-S310 VanDerWaalsContact SG-CB 3.57Å; C308-C328 PolarHBondContact SG-SG 2.9Å
309	G	90.9	Very high	94.2	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	23%	0.23	C	C	.	.			trans	80.9	4.3	-176.9	0	0	0	0	0	115.3	L290 C305	L290-G309 WeakPolarHBondContact CD1-O 3.04Å; C305-G309 VanDerWaalsContact O-CA 3.3Å; C305-G309 WeakPolarHBondContact O-CA 3.49Å; C305-G309 PolarHBondContact O-N 3.18Å
310	S	91.1	Very high	94.4	Very high	22 Å²	22	39.6 Å²	39.6	15%	0.154	22%	0.215	C	C	.	.			trans	-63.3	139.7	174.5	-175.1	0	0	0	0	112.1	C305 C308 N312	C305-S310 WeakPolarHBondContact CB-O 3.25Å; C305-S310 PolarHBondContact N-O 3.23Å; C308-S310 VanDerWaalsContact C-N 3.34Å; C308-S310 VanDerWaalsContact SG-CB 3.57Å; S310-N312 VanDerWaalsContact C-N 3.3Å; S310-N312 PolarHBondContact OG-N 2.98Å
311	L	90.4	Very high	94.5	Very high	84 Å²	84	35.7 Å²	35.7	44%	0.44	20%	0.195	S	C	.	.	S	Bend	trans	-82.9	-7.2	171.2	-58.3	-179.2	0	0	0	113.1	L290 I304 V313	L290-L311 HydrophobicContact CD1-CD2 3.89Å; L290-L311 HydrophobicContact CD1-CG 4.41Å; L290-L311 HydrophobicContact CD2-CD2 3.99Å; I304-L311 HydrophobicContact CG2-CD2 3.71Å; L311-V313 PolarHBondContact O-N 2.92Å
312	N	91.9	Very high	94.6	Very high	110 Å²	110	34.5 Å²	34.5	59%	0.588	19%	0.189	S	C	*	.			trans	-84.2	63.1	178.9	-167.3	31.1	0	0	0	110.7	S310 C325	S310-N312 VanDerWaalsContact C-N 3.3Å; S310-N312 PolarHBondContact OG-N 2.98Å; N312-C325 WeakPolarHBondContact O-CA 3.32Å; N312-C325 WeakPolarHBondContact O-CB 3.34Å
313	V	93.6	Very high	94.6	Very high	47 Å²	47	30.3 Å²	30.3	29%	0.285	17%	0.169	S	C	.	.			trans	-73.1	125.6	179.4	176.4	0	0	0	0	109.4	I304 L311 L315	I304-V313 VanDerWaalsContact C-CG2 3.44Å; L311-V313 PolarHBondContact O-N 2.92Å; V313-L315 WeakPolarHBondContact CG1-O 2.81Å
314	T	92	Very high	94.7	Very high	74 Å²	74	26 Å²	26	45%	0.454	15%	0.146	S	C	.	.			trans	-119.4	-22.4	177.7	53.4	0	0	0	0	112.5	M324 Q326	T314-M324 PolarHBondContact N-O 3.14Å; T314-Q326 PolarHBondContact OG1-N 2.94Å
315	L	92.6	Very high	94.6	Very high	47 Å²	47	26.3 Å²	26.3	25%	0.246	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	166.1	176.4	-54.4	101	0	0	0	109.9	V313 G323 M324 K329 F419	V313-L315 WeakPolarHBondContact CG1-O 2.81Å; L315-G323 CarbonylContact O-C 3.5Å; L315-M324 HydrophobicContact CB-CB 4.5Å; L315-M324 PolarHBondContact N-O 3.07Å; L315-M324 WeakPolarHBondContact O-CA 3.13Å; L315-M324 PolarHBondContact O-N 3.28Å; L315-M324 VanDerWaalsContact O-O 3.14Å; L315-K329 HydrophobicContact CD1-CB 4.09Å; L315-K329 HydrophobicContact CD1-CD 3.58Å; L315-K329 HydrophobicContact CD1-CG 4.45Å; L315-K329 HydrophobicContact CD2-CD 3.74Å; L315-K329 HydrophobicContact CG-CD 4.31Å; L315-F419 HydrophobicContact CD2-CE2 4.39Å
316	E	96.4	Very high	94.3	Very high	82 Å²	82	29.9 Å²	29.9	38%	0.383	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.2	164.4	-65.6	179	-98.5	0	0	110.4	R409 R415	E316-R409 IonicContact OE2-CZ 3.02Å; E316-R409 IonicContact OE2-NH1 3.9Å; E316-R409 PolarHBondContact OE2-NH1 2.92Å; E316-R409 IonicContact OE2-NH2 3.38Å; E316-R409 PolarHBondContact OE2-NH2 3.33Å; E316-R415 VanDerWaalsContact CD-NH2 3.3Å; E316-R415 IonicContact OE1-CZ 3.92Å; E316-R415 IonicContact OE1-NH1 3.59Å; E316-R415 PolarHBondContact OE1-NH1 2.85Å; E316-R415 IonicContact OE1-NH2 2.84Å; E316-R415 PolarHBondContact OE1-NH2 3.39Å; E316-R415 IonicContact OE2-CZ 3.69Å; E316-R415 IonicContact OE2-NH1 2.87Å; E316-R415 PolarHBondContact OE2-NH1 2.98Å; E316-R415 IonicContact OE2-NH2 3.56Å; E316-R415 PolarHBondContact OE2-NH2 3.41Å
317	H	97.2	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.			trans	-63.5	131.1	175	-170.9	-82.2	0	0	0	110.1	I306 L319 F320 G322 M324 I350 R409	I306-H317 HydrophobicContact CD1-CB 3.78Å; I306-H317 HydrophobicContact CG1-CB 4Å; H317-L319 VanDerWaalsContact C-N 3.33Å; H317-L319 PolarHBondContact ND1-N 2.9Å; H317-L319 PolarHBondContact O-N 3.4Å; H317-F320 AromaticContact CE1-CD2 3.98Å; H317-F320 PolarHBondContact ND1-N 2.89Å; H317-F320 VanDerWaalsContact O-O 3.06Å; H317-G322 PolarHBondContact N-O 2.94Å; H317-M324 HydrophobicContact CB-CB 4.47Å; H317-I350 PolarHBondContact NE2-O 3.37Å; H317-I350 VanDerWaalsContact NE2-O 3.11Å; H317-R409 PolarHBondContact O-NE 3.17Å
318	P	95.3	Very high	93.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.019	20%	0.2	C	C	.	.	S	Bend	trans	-68.3	-30.3	-169	23.2	-32.6	0	0	0	113.5	F332 L416 F419	P318-F332 HydrophobicContact CG-CE1 3.96Å; P318-F332 HydrophobicContact CG-CE2 4.21Å; P318-F332 HydrophobicContact CG-CZ 3.76Å; P318-L416 HydrophobicContact CB-CD1 4.26Å; P318-L416 HydrophobicContact CG-CD1 4.31Å; P318-F419 HydrophobicContact CB-CB 4.49Å; P318-F419 HydrophobicContact CB-CD2 4.18Å; P318-F419 HydrophobicContact CB-CG 4.42Å; P318-F419 HydrophobicContact CG-CD2 4.08Å; P318-F419 HydrophobicContact CG-CE2 4.24Å; P318-F419 HydrophobicContact CG-CG 4.31Å
319	L	96.9	Very high	93.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-97.6	-29.4	-173.4	-54.5	179.3	0	0	0	114.6	H317 F332 T349 M396 R409 W412 L416	H317-L319 VanDerWaalsContact C-N 3.33Å; H317-L319 PolarHBondContact ND1-N 2.9Å; H317-L319 PolarHBondContact O-N 3.4Å; L319-F332 HydrophobicContact CD1-CE2 4.34Å; L319-F332 HydrophobicContact CD1-CZ 4.18Å; L319-F332 HydrophobicContact CG-CZ 4.39Å; L319-T349 HydrophobicContact CD1-CG2 3.39Å; L319-M396 HydrophobicContact CB-CE 4.41Å; L319-M396 HydrophobicContact CB-SD 4.34Å; L319-M396 HydrophobicContact CD2-CE 4.14Å; L319-R409 PolarHBondContact O-N 3.18Å; L319-R409 VanDerWaalsContact O-N 3.09Å; L319-W412 HydrophobicContact CD2-CD2 4.27Å; L319-W412 HydrophobicContact CD2-CE3 3.51Å; L319-W412 HydrophobicContact CD2-CZ3 4.1Å; L319-L416 HydrophobicContact CD2-CB 4.45Å; L319-L416 HydrophobicContact CD2-CD1 4.1Å; L319-L416 HydrophobicContact CD2-CD2 4.2Å
320	F	98	Very high	93.5	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-136.2	152.9	-167.9	-66	-76.9	0	0	0	110.2	I306 H317 G322 T349 I350 F369 M396 L406 R407 R408 R409	I306-F320 HydrophobicContact CD1-CB 3.9Å; H317-F320 AromaticContact CE1-CD2 3.98Å; H317-F320 PolarHBondContact ND1-N 2.89Å; H317-F320 VanDerWaalsContact O-O 3.06Å; F320-G322 PolarHBondContact O-N 2.63Å; F320-T349 HydrophobicContact CE2-CG2 4.2Å; F320-I350 HydrophobicContact CD2-CG1 3.98Å; F320-I350 HydrophobicContact CE2-CD1 4.33Å; F320-I350 HydrophobicContact CE2-CG1 3.76Å; F320-F369 AromaticContact CE2-CE1 3.86Å; F320-F369 HydrophobicContact CE2-CE1 3.86Å; F320-F369 HydrophobicContact CE2-CZ 4.26Å; F320-F369 AromaticContact CZ-CE1 3.67Å; F320-F369 HydrophobicContact CZ-CE1 3.67Å; F320-F369 AromaticContact CZ-CZ 3.89Å; F320-F369 HydrophobicContact CZ-CZ 3.89Å; F320-M396 HydrophobicContact CE1-SD 3.97Å; F320-M396 HydrophobicContact CE2-SD 4.06Å; F320-M396 HydrophobicContact CZ-CG 3.97Å; F320-M396 HydrophobicContact CZ-SD 3.53Å; F320-M396 VanDerWaalsContact CZ-SD 3.53Å; F320-L406 HydrophobicContact CB-CD1 3.97Å; F320-L406 HydrophobicContact CD1-CD1 3.56Å; F320-L406 HydrophobicContact CD1-CD2 4.17Å; F320-L406 HydrophobicContact CD1-CG 3.63Å; F320-L406 HydrophobicContact CD2-CD1 4.2Å; F320-L406 HydrophobicContact CE1-CD1 4.07Å; F320-L406 HydrophobicContact CE1-CD2 3.84Å; F320-L406 HydrophobicContact CE1-CG 3.81Å; F320-L406 HydrophobicContact CG-CD1 3.65Å; F320-L406 HydrophobicContact CG-CG 4.25Å; F320-L406 HydrophobicContact CZ-CD2 4.23Å; F320-R407 CarbonylContact C-O 3.59Å; F320-R407 VanDerWaalsContact CA-O 3.24Å; F320-R407 WeakPolarHBondContact CA-O 3.47Å; F320-R408 HydrophobicContact CD1-CB 4.44Å; F320-R408 HydrophobicContact CE1-CB 4.34Å; F320-R409 PolarHBondContact O-NE 3.47Å
321	V	97.8	Very high	93.5	Very high	25 Å²	25	40 Å²	40	15%	0.152	22%	0.217	C	C	.	.	S	Bend	trans	-66.2	123.1	174.9	-179.3	0	0	0	0	109.2	I301 E302 R407 R409	I301-V321 HydrophobicContact CG2-CG1 3.88Å; E302-V321 HydrophobicContact CG-CG1 3.98Å; V321-R407 HydrophobicContact CB-CB 4.15Å; V321-R407 HydrophobicContact CG2-CB 3.9Å; V321-R407 HydrophobicContact CG2-CG 4.07Å; V321-R407 PolarHBondContact N-O 2.85Å; V321-R409 HydrophobicContact CG2-CG 4.07Å
322	G	97.2	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	149.4	160.3	-172.1	0	0	0	0	0	113.1	I301 H317 F320 R409	I301-G322 WeakPolarHBondContact O-CA 3.32Å; H317-G322 PolarHBondContact N-O 2.94Å; F320-G322 PolarHBondContact O-N 2.63Å; G322-R409 PolarHBondContact O-NH2 3.43Å
323	G	96.9	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	167.2	175.5	0	0	0	0	0	112.7	I301 E302 I304 C305 I306 L315	I301-G323 PolarHBondContact O-N 2.81Å; E302-G323 WeakPolarHBondContact O-CA 3.38Å; E302-G323 PolarHBondContact O-N 2.88Å; I304-G323 CarbonylContact O-C 3.55Å; I304-G323 WeakPolarHBondContact O-CA 3.39Å; I304-G323 PolarHBondContact O-N 3.42Å; C305-G323 CarbonylContact C-O 3.07Å; C305-G323 VanDerWaalsContact CA-O 3.3Å; C305-G323 WeakPolarHBondContact CA-O 3.47Å; I306-G323 PolarHBondContact N-O 3.09Å; L315-G323 CarbonylContact O-C 3.5Å
324	M	96.6	Very high	93.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.3	176.1	-166.1	175.8	-151.7	0	0	109.5	T314 L315 H317 C328 K329 F332 F419	T314-M324 PolarHBondContact N-O 3.14Å; L315-M324 HydrophobicContact CB-CB 4.5Å; L315-M324 PolarHBondContact N-O 3.07Å; L315-M324 WeakPolarHBondContact O-CA 3.13Å; L315-M324 PolarHBondContact O-N 3.28Å; L315-M324 VanDerWaalsContact O-O 3.14Å; H317-M324 HydrophobicContact CB-CB 4.47Å; M324-C328 HydrophobicContact CE-CB 4.11Å; M324-C328 WeakPolarHBondContact CE-O 3.41Å; M324-C328 HydrophobicContact CG-CB 3.95Å; M324-K329 HydrophobicContact SD-CB 4.39Å; M324-F332 HydrophobicContact CE-CB 3.5Å; M324-F332 VanDerWaalsContact CE-CB 3.5Å; M324-F332 HydrophobicContact CE-CD2 3.79Å; M324-F332 HydrophobicContact CE-CG 3.82Å; M324-F419 HydrophobicContact CE-CZ 4.17Å; M324-F419 HydrophobicContact SD-CE2 3.83Å; M324-F419 HydrophobicContact SD-CZ 3.63Å
325	C	93.1	Very high	93.2	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.061	16%	0.162	C	C	.	.			trans	-85.3	162.5	174	74.6	0	0	0	0	111.3	C305 N312 N327 C328 K329	C305-C325 HydrophobicContact CB-CB 4.23Å; C305-C325 PolarHBondContact SG-N 3.44Å; C305-C325 VanDerWaalsContact SG-N 3.39Å; N312-C325 WeakPolarHBondContact O-CA 3.32Å; N312-C325 WeakPolarHBondContact O-CB 3.34Å; C325-N327 VanDerWaalsContact C-N 3.3Å; C325-N327 PolarHBondContact O-N 3.26Å; C325-C328 PolarHBondContact O-N 2.8Å; C325-C328 VanDerWaalsContact O-N 3.16Å; C325-C328 VanDerWaalsContact SG-SG 3.62Å; C325-K329 PolarHBondContact O-N 2.86Å
326	Q	89.1	Confident	93.2	Very high	76 Å²	76	29.1 Å²	29.1	36%	0.355	15%	0.154	S	C	.	.	H	α-helix	trans	-58.9	-37.2	-176.9	-171.8	57.7	46.8	0	0	113.8	T314 K329 N330	T314-Q326 PolarHBondContact OG1-N 2.94Å; Q326-K329 WeakPolarHBondContact O-CB 3.37Å; Q326-K329 PolarHBondContact O-N 3.44Å; Q326-N330 PolarHBondContact NE2-OD1 3.36Å; Q326-N330 PolarHBondContact O-N 3.13Å; Q326-N330 PolarHBondContact O-OD1 2.78Å
327	N	87.4	Confident	93.1	Very high	127 Å²	127	25.7 Å²	25.7	68%	0.679	14%	0.138	S	C	*	.	H	α-helix	trans	-66.5	-42.4	178.4	-71.7	-11.6	0	0	0	111.7	C325 K329 N330 C331	C325-N327 VanDerWaalsContact C-N 3.3Å; C325-N327 PolarHBondContact O-N 3.26Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 PolarHBondContact O-N 2.95Å; N327-N330 PolarHBondContact O-N 3Å; N327-C331 PolarHBondContact O-N 3.09Å
328	C	90.7	Very high	92.8	Very high	17 Å²	17	26.6 Å²	26.6	12%	0.115	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-36.6	174.6	-71.6	0	0	0	0	111.1	C308 M324 C325 N330 C331 F332	C308-C328 PolarHBondContact SG-SG 2.9Å; M324-C328 HydrophobicContact CE-CB 4.11Å; M324-C328 WeakPolarHBondContact CE-O 3.41Å; M324-C328 HydrophobicContact CG-CB 3.95Å; C325-C328 PolarHBondContact O-N 2.8Å; C325-C328 VanDerWaalsContact O-N 3.16Å; C325-C328 VanDerWaalsContact SG-SG 3.62Å; C328-N330 PolarHBondContact O-N 3.18Å; C328-C331 PolarHBondContact O-N 3.42Å; C328-F332 VanDerWaalsContact O-CB 3.31Å; C328-F332 WeakPolarHBondContact O-CB 3.43Å; C328-F332 PolarHBondContact O-N 3.09Å
329	K	91.8	Very high	92.7	Very high	29 Å²	29	27.3 Å²	27.3	13%	0.126	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-48.6	172.1	162.9	166.9	178.7	-179.3	0	111.9	L315 M324 C325 Q326 N327 C331 F332 L333 F419	L315-K329 HydrophobicContact CD1-CB 4.09Å; L315-K329 HydrophobicContact CD1-CD 3.58Å; L315-K329 HydrophobicContact CD1-CG 4.45Å; L315-K329 HydrophobicContact CD2-CD 3.74Å; L315-K329 HydrophobicContact CG-CD 4.31Å; M324-K329 HydrophobicContact SD-CB 4.39Å; C325-K329 PolarHBondContact O-N 2.86Å; Q326-K329 WeakPolarHBondContact O-CB 3.37Å; Q326-K329 PolarHBondContact O-N 3.44Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 PolarHBondContact O-N 2.95Å; K329-C331 PolarHBondContact O-N 3.04Å; K329-F332 WeakPolarHBondContact O-CB 3.33Å; K329-F332 PolarHBondContact O-N 3.28Å; K329-L333 HydrophobicContact CG-CD1 4.28Å; K329-L333 WeakPolarHBondContact O-CG 3.31Å; K329-L333 PolarHBondContact O-N 3.47Å; K329-F419 HydrophobicContact CB-CE1 4.5Å; K329-F419 HydrophobicContact CB-CZ 3.74Å; K329-F419 HydrophobicContact CD-CE2 4.24Å; K329-F419 HydrophobicContact CD-CZ 3.96Å; K329-F419 HydrophobicContact CG-CE1 3.93Å; K329-F419 HydrophobicContact CG-CE2 4.27Å; K329-F419 HydrophobicContact CG-CZ 3.51Å
330	N	88.1	Confident	92.4	Very high	66 Å²	66	31.3 Å²	31.3	35%	0.353	17%	0.166	S	C	.	.	H	α-helix	trans	-61.7	-45.9	-179.9	-61.5	-13.7	0	0	0	111.1	Q326 N327 C328 F332 L333 E334	Q326-N330 PolarHBondContact NE2-OD1 3.36Å; Q326-N330 PolarHBondContact O-N 3.13Å; Q326-N330 PolarHBondContact O-OD1 2.78Å; N327-N330 PolarHBondContact O-N 3Å; C328-N330 PolarHBondContact O-N 3.18Å; N330-F332 VanDerWaalsContact C-N 3.29Å; N330-F332 PolarHBondContact O-N 3.45Å; N330-L333 PolarHBondContact O-N 3.01Å; N330-E334 PolarHBondContact O-N 3.47Å
331	C	90.4	Very high	91.9	Very high	42 Å²	42	36.9 Å²	36.9	28%	0.284	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-39.9	174.7	-178.3	0	0	0	0	112	N327 C328 K329 L333 E334 C335 C352	N327-C331 PolarHBondContact O-N 3.09Å; C328-C331 PolarHBondContact O-N 3.42Å; K329-C331 PolarHBondContact O-N 3.04Å; C331-L333 PolarHBondContact O-N 3.01Å; C331-E334 PolarHBondContact O-N 2.92Å; C331-C335 VanDerWaalsContact O-CB 3.23Å; C331-C335 WeakPolarHBondContact O-CB 3.26Å; C331-C335 PolarHBondContact O-N 3.41Å; C331-C335 PolarHBondContact O-SG 2.85Å; C331-C335 VanDerWaalsContact O-SG 3.38Å; C331-C352 VanDerWaalsContact SG-CB 3.58Å
332	F	92.4	Very high	91.6	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.022	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-40.5	176.9	-168.2	-80.4	0	0	0	112.6	P318 L319 M324 C328 K329 N330 E334 C335 A336 C352 L416 F419 F420	P318-F332 HydrophobicContact CG-CE1 3.96Å; P318-F332 HydrophobicContact CG-CE2 4.21Å; P318-F332 HydrophobicContact CG-CZ 3.76Å; L319-F332 HydrophobicContact CD1-CE2 4.34Å; L319-F332 HydrophobicContact CD1-CZ 4.18Å; L319-F332 HydrophobicContact CG-CZ 4.39Å; M324-F332 HydrophobicContact CE-CB 3.5Å; M324-F332 VanDerWaalsContact CE-CB 3.5Å; M324-F332 HydrophobicContact CE-CD2 3.79Å; M324-F332 HydrophobicContact CE-CG 3.82Å; C328-F332 VanDerWaalsContact O-CB 3.31Å; C328-F332 WeakPolarHBondContact O-CB 3.43Å; C328-F332 PolarHBondContact O-N 3.09Å; K329-F332 WeakPolarHBondContact O-CB 3.33Å; K329-F332 PolarHBondContact O-N 3.28Å; N330-F332 VanDerWaalsContact C-N 3.29Å; N330-F332 PolarHBondContact O-N 3.45Å; F332-E334 VanDerWaalsContact C-N 3.28Å; F332-E334 PolarHBondContact O-N 3.47Å; F332-C335 PolarHBondContact O-N 3.38Å; F332-A336 HydrophobicContact CD1-CB 3.84Å; F332-A336 HydrophobicContact CD2-CB 4.47Å; F332-A336 HydrophobicContact CE1-CB 3.64Å; F332-A336 HydrophobicContact CE2-CB 4.3Å; F332-A336 HydrophobicContact CG-CB 4.25Å; F332-A336 HydrophobicContact CZ-CB 3.89Å; F332-A336 WeakPolarHBondContact O-CB 3.5Å; F332-A336 PolarHBondContact O-N 3.49Å; F332-C352 VanDerWaalsContact CD2-SG 3.51Å; F332-L416 HydrophobicContact CE1-CD1 3.62Å; F332-L416 HydrophobicContact CZ-CD1 3.8Å; F332-F419 HydrophobicContact CB-CE1 4.15Å; F332-F419 HydrophobicContact CB-CZ 4.47Å; F332-F419 AromaticContact CD1-CD1 3.91Å; F332-F419 HydrophobicContact CD1-CD1 3.91Å; F332-F419 AromaticContact CD1-CE1 3.54Å; F332-F419 HydrophobicContact CD1-CE1 3.54Å; F332-F419 HydrophobicContact CD1-CZ 4.29Å; F332-F419 HydrophobicContact CE1-CD1 4.28Å; F332-F419 HydrophobicContact CE1-CE1 4.29Å; F332-F419 HydrophobicContact CG-CE1 4.12Å; F332-F420 HydrophobicContact CD1-CE2 4.47Å; F332-F420 HydrophobicContact CD1-CZ 4.2Å; F332-F420 HydrophobicContact CE1-CE2 4.01Å; F332-F420 HydrophobicContact CE1-CZ 4.11Å
333	L	89.8	Confident	91.3	Very high	19 Å²	19	41 Å²	41	10%	0.099	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-35.2	176.9	-67.2	173.6	0	0	0	112.4	K329 N330 C331 F419 F420	K329-L333 HydrophobicContact CG-CD1 4.28Å; K329-L333 WeakPolarHBondContact O-CG 3.31Å; K329-L333 PolarHBondContact O-N 3.47Å; N330-L333 PolarHBondContact O-N 3.01Å; C331-L333 PolarHBondContact O-N 3.01Å; L333-F419 HydrophobicContact CD2-CD1 3.7Å; L333-F419 HydrophobicContact CD2-CE1 3.82Å; L333-F419 HydrophobicContact CG-CD1 4.43Å; L333-F419 HydrophobicContact CG-CE1 4.04Å; L333-F420 HydrophobicContact CB-CE1 4.45Å; L333-F420 HydrophobicContact CD2-CD1 3.51Å; L333-F420 HydrophobicContact CD2-CE1 3.5Å; L333-F420 VanDerWaalsContact CD2-CE1 3.5Å; L333-F420 HydrophobicContact CD2-CG 4.24Å; L333-F420 HydrophobicContact CD2-CZ 4.2Å
334	E	88.7	Confident	91.2	Very high	84 Å²	84	43.9 Å²	43.9	39%	0.393	23%	0.232	S	C	.	.	H	α-helix	trans	-76.2	-43.7	177.8	-74.2	171.7	-165.5	0	0	112.3	N330 C331 F332 Q338 R614 P615	N330-E334 PolarHBondContact O-N 3.47Å; C331-E334 PolarHBondContact O-N 2.92Å; F332-E334 VanDerWaalsContact C-N 3.28Å; F332-E334 PolarHBondContact O-N 3.47Å; E334-Q338 WeakPolarHBondContact O-CG 3.47Å; E334-Q338 PolarHBondContact O-NE2 2.91Å; E334-R614 PolarHBondContact O-NH1 2.96Å; E334-P615 HydrophobicContact CG-CB 3.9Å; E334-P615 HydrophobicContact CG-CG 4.13Å
335	C	91.3	Very high	91.1	Very high	14 Å²	14	44.1 Å²	44.1	10%	0.095	23%	0.233	C	C	.	.	H	α-helix	trans	-101.7	-24.5	-163	-64.6	0	0	0	0	115.4	C331 F332 Y337 Q338 Y347 C352	C331-C335 VanDerWaalsContact O-CB 3.23Å; C331-C335 WeakPolarHBondContact O-CB 3.26Å; C331-C335 PolarHBondContact O-N 3.41Å; C331-C335 PolarHBondContact O-SG 2.85Å; C331-C335 VanDerWaalsContact O-SG 3.38Å; F332-C335 PolarHBondContact O-N 3.38Å; C335-Y337 PolarHBondContact O-N 3.31Å; C335-Y337 VanDerWaalsContact O-N 3.13Å; C335-Q338 PolarHBondContact O-N 3.31Å; C335-Y347 HydrophobicContact CB-CD2 3.61Å; C335-Y347 HydrophobicContact CB-CE2 4.13Å; C335-Y347 HydrophobicContact CB-CG 4.34Å; C335-C352 HydrophobicContact CB-CB 3.74Å
336	A	92.1	Very high	91	Very high	10 Å²	10	44.7 Å²	44.7	8%	0.083	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.7	-168.1	0	0	0	0	0	114.6	F332 Q345 F420	F332-A336 HydrophobicContact CD1-CB 3.84Å; F332-A336 HydrophobicContact CD2-CB 4.47Å; F332-A336 HydrophobicContact CE1-CB 3.64Å; F332-A336 HydrophobicContact CE2-CB 4.3Å; F332-A336 HydrophobicContact CG-CB 4.25Å; F332-A336 HydrophobicContact CZ-CB 3.89Å; F332-A336 WeakPolarHBondContact O-CB 3.5Å; F332-A336 PolarHBondContact O-N 3.49Å; A336-Q345 PolarHBondContact O-NE2 3.17Å; A336-F420 HydrophobicContact CB-CZ 4.24Å
337	Y	93.9	Very high	91.3	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.039	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	29.2	176.4	-58.8	-52.1	0	0	0	112.4	C335 Y339 F420 A714 P715 E718	C335-Y337 PolarHBondContact O-N 3.31Å; C335-Y337 VanDerWaalsContact O-N 3.13Å; Y337-Y339 WeakPolarHBondContact O-CD2 3.35Å; Y337-F420 HydrophobicContact CD2-CE1 4.17Å; Y337-F420 HydrophobicContact CD2-CE2 4.32Å; Y337-F420 AromaticContact CD2-CZ 3.89Å; Y337-F420 HydrophobicContact CD2-CZ 3.89Å; Y337-F420 HydrophobicContact CE2-CD1 4.38Å; Y337-F420 AromaticContact CE2-CD2 3.92Å; Y337-F420 HydrophobicContact CE2-CD2 3.92Å; Y337-F420 AromaticContact CE2-CE1 3.94Å; Y337-F420 HydrophobicContact CE2-CE1 3.94Å; Y337-F420 AromaticContact CE2-CE2 3.45Å; Y337-F420 HydrophobicContact CE2-CE2 3.45Å; Y337-F420 VanDerWaalsContact CE2-CE2 3.45Å; Y337-F420 HydrophobicContact CE2-CG 4.39Å; Y337-F420 AromaticContact CE2-CZ 3.47Å; Y337-F420 HydrophobicContact CE2-CZ 3.47Å; Y337-F420 VanDerWaalsContact CE2-CZ 3.47Å; Y337-F420 AromaticContact CZ-CE2 3.85Å; Y337-A714 VanDerWaalsContact O-CB 3.26Å; Y337-A714 WeakPolarHBondContact O-CB 3.28Å; Y337-P715 HydrophobicContact CD1-CB 4.15Å; Y337-P715 HydrophobicContact CD1-CG 4.39Å; Y337-P715 HydrophobicContact CD2-CB 4.01Å; Y337-P715 HydrophobicContact CD2-CG 3.63Å; Y337-P715 HydrophobicContact CE1-CB 4.18Å; Y337-P715 HydrophobicContact CE2-CB 4.02Å; Y337-P715 HydrophobicContact CE2-CG 4.05Å; Y337-P715 HydrophobicContact CG-CB 4.07Å; Y337-P715 HydrophobicContact CG-CG 3.82Å; Y337-E718 HydrophobicContact CE1-CG 4.03Å
338	Q	91.6	Very high	91.8	Very high	20 Å²	20	39.3 Å²	39.3	9%	0.093	21%	0.205	C	C	.	.			trans	-92	134.6	165.8	-66.8	-171.9	36.4	0	0	109.5	E334 C335 Q345 S346 Y347	E334-Q338 WeakPolarHBondContact O-CG 3.47Å; E334-Q338 PolarHBondContact O-NE2 2.91Å; C335-Q338 PolarHBondContact O-N 3.31Å; Q338-Q345 WeakPolarHBondContact O-CA 3.42Å; Q338-S346 PolarHBondContact O-N 3.19Å; Q338-S346 VanDerWaalsContact O-N 3.09Å; Q338-Y347 HydrophobicContact CB-CE2 4.48Å
339	Y	92.6	Very high	92.1	Very high	18 Å²	18	38.7 Å²	38.7	7%	0.071	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-131.2	138.3	-179	-58.8	-88.7	0	0	0	109	Y337 Y344 Q345 S346 C366 A714 K717	Y337-Y339 WeakPolarHBondContact O-CD2 3.35Å; Y339-Y344 CarbonylContact C-O 3.59Å; Y339-Y344 WeakPolarHBondContact CA-O 3.35Å; Y339-Y344 WeakPolarHBondContact CB-O 3.48Å; Y339-Q345 HydrophobicContact CD1-CG 3.98Å; Y339-Q345 HydrophobicContact CE1-CG 3.62Å; Y339-S346 PolarHBondContact N-OG 3.19Å; Y339-C366 HydrophobicContact CD1-CB 4.26Å; Y339-C366 HydrophobicContact CE1-CB 3.95Å; Y339-A714 HydrophobicContact CD2-CB 3.99Å; Y339-A714 HydrophobicContact CE2-CB 3.98Å; Y339-A714 WeakPolarHBondContact CE2-O 3.29Å; Y339-K717 HydrophobicContact CD1-CD 3.91Å; Y339-K717 VanDerWaalsContact CD1-NZ 3.34Å; Y339-K717 HydrophobicContact CD2-CD 3.81Å; Y339-K717 HydrophobicContact CE1-CB 4.35Å; Y339-K717 HydrophobicContact CE1-CD 3.97Å; Y339-K717 HydrophobicContact CE2-CB 4.4Å; Y339-K717 HydrophobicContact CE2-CD 3.88Å; Y339-K717 HydrophobicContact CE2-CG 4.5Å; Y339-K717 HydrophobicContact CG-CD 3.84Å
340	D	90.6	Very high	92.4	Very high	85 Å²	85	37.4 Å²	37.4	46%	0.455	20%	0.195	S	C	.	.			trans	-81.7	174.6	175.2	-70.1	-18.9	0	0	0	110.7	D342 G343 Y344 S346	D340-D342 PolarHBondContact O-N 3.47Å; D340-G343 PolarHBondContact O-N 3.36Å; D340-Y344 PolarHBondContact N-O 2.85Å; D340-S346 PolarHBondContact N-OG 3.17Å; D340-S346 WeakPolarHBondContact OD1-CB 3.23Å; D340-S346 PolarHBondContact OD1-OG 2.99Å; D340-S346 WeakPolarHBondContact OD2-CA 3.33Å
341	D	87.9	Confident	92.7	Very high	117 Å²	117	35.3 Å²	35.3	63%	0.626	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.5	-176.5	-63.5	-37	0	0	0	113.1	G343 N621	D341-G343 PolarHBondContact O-N 2.96Å; D341-N621 PolarHBondContact OD2-ND2 3.29Å
342	D	90.8	Very high	92.8	Very high	96 Å²	96	33.8 Å²	33.8	51%	0.513	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4	170.5	67.8	-0.9	0	0	0	113.2	D340 Y344	D340-D342 PolarHBondContact O-N 3.47Å; D342-Y344 VanDerWaalsContact C-N 3.32Å; D342-Y344 PolarHBondContact OD1-N 2.81Å
343	G	91.6	Very high	92.6	Very high	16 Å²	16	34.6 Å²	34.6	17%	0.165	19%	0.185	C	C	.	.	S	Bend	trans	82.2	1.4	-179.8	0	0	0	0	0	114.4	D340 D341 C366 K717	D340-G343 PolarHBondContact O-N 3.36Å; D341-G343 PolarHBondContact O-N 2.96Å; G343-C366 WeakPolarHBondContact O-CB 3.26Å; G343-K717 PolarHBondContact O-NZ 3Å
344	Y	94.5	Very high	92.1	Very high	60 Å²	60	35.5 Å²	35.5	24%	0.235	20%	0.198	C	C	.	.	S	Bend	trans	-91.6	162.3	174.8	-78.6	-95	0	0	0	111.7	Y339 D340 D342 S346 M359 C360 C365	Y339-Y344 CarbonylContact C-O 3.59Å; Y339-Y344 WeakPolarHBondContact CA-O 3.35Å; Y339-Y344 WeakPolarHBondContact CB-O 3.48Å; D340-Y344 PolarHBondContact N-O 2.85Å; D342-Y344 VanDerWaalsContact C-N 3.32Å; D342-Y344 PolarHBondContact OD1-N 2.81Å; Y344-S346 PolarHBondContact O-N 2.97Å; Y344-M359 HydrophobicContact CD1-CB 3.9Å; Y344-M359 HydrophobicContact CD1-CG 4.04Å; Y344-M359 HydrophobicContact CD1-SD 4.49Å; Y344-M359 HydrophobicContact CD2-SD 4Å; Y344-M359 HydrophobicContact CE1-CB 3.85Å; Y344-M359 HydrophobicContact CE1-CG 4.45Å; Y344-M359 HydrophobicContact CE2-SD 4.39Å; Y344-M359 HydrophobicContact CG-CB 4.4Å; Y344-M359 HydrophobicContact CG-CG 4.12Å; Y344-M359 HydrophobicContact CG-SD 4.05Å; Y344-C360 WeakPolarHBondContact CE1-O 3.09Å; Y344-C360 PolarHBondContact OH-O 3.09Å; Y344-C365 WeakPolarHBondContact CE1-O 3.15Å
345	Q	94.3	Very high	91.8	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.033	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-61.8	132.3	174.4	-81	178.6	-25.5	0	0	110.3	A336 Q338 Y339 Y347 T349 C366 C368	A336-Q345 PolarHBondContact O-NE2 3.17Å; Q338-Q345 WeakPolarHBondContact O-CA 3.42Å; Y339-Q345 HydrophobicContact CD1-CG 3.98Å; Y339-Q345 HydrophobicContact CE1-CG 3.62Å; Q345-Y347 PolarHBondContact O-N 3.16Å; Q345-Y347 VanDerWaalsContact O-N 3.14Å; Q345-T349 PolarHBondContact OE1-OG1 2.83Å; Q345-C366 WeakPolarHBondContact CB-O 3.19Å; Q345-C366 WeakPolarHBondContact CG-O 3.46Å; Q345-C366 PolarHBondContact N-O 3.22Å; Q345-C368 HydrophobicContact CB-CB 4.37Å; Q345-C368 PolarHBondContact O-SG 2.91Å
346	S	92.3	Very high	91.8	Very high	21 Å²	21	48.5 Å²	48.5	15%	0.147	25%	0.247	C	C	.	.	S	Bend	trans	-62.6	-22.9	178.9	-48.1	0	0	0	0	113.2	Q338 Y339 D340 Y344	Q338-S346 PolarHBondContact O-N 3.19Å; Q338-S346 VanDerWaalsContact O-N 3.09Å; Y339-S346 PolarHBondContact N-OG 3.19Å; D340-S346 PolarHBondContact N-OG 3.17Å; D340-S346 WeakPolarHBondContact OD1-CB 3.23Å; D340-S346 PolarHBondContact OD1-OG 2.99Å; D340-S346 WeakPolarHBondContact OD2-CA 3.33Å; Y344-S346 PolarHBondContact O-N 2.97Å
347	Y	94.9	Very high	92	Very high	89 Å²	89	50.4 Å²	50.4	35%	0.349	26%	0.258	S	S	.	.	S	Bend	trans	-134.8	161	-174.4	-55.7	-69.5	0	0	0	112.4	C335 Q338 Q345 T349	C335-Y347 HydrophobicContact CB-CD2 3.61Å; C335-Y347 HydrophobicContact CB-CE2 4.13Å; C335-Y347 HydrophobicContact CB-CG 4.34Å; Q338-Y347 HydrophobicContact CB-CE2 4.48Å; Q345-Y347 PolarHBondContact O-N 3.16Å; Q345-Y347 VanDerWaalsContact O-N 3.14Å; Y347-T349 PolarHBondContact O-N 3.17Å
348	C	97.4	Very high	92.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	26%	0.259	C	S	.	.			trans	-56.6	132	175.2	177.4	0	0	0	0	112.4	I350 C351 C352 G353 C368 C370	C348-I350 PolarHBondContact O-N 3.48Å; C348-I350 VanDerWaalsContact O-N 3.1Å; C348-I350 PolarHBondContact SG-N 3.38Å; C348-I350 VanDerWaalsContact SG-N 3.38Å; C348-C351 VanDerWaalsContact CB-SG 3.59Å; C348-C352 VanDerWaalsContact O-CA 3.28Å; C348-C352 WeakPolarHBondContact O-CA 3.48Å; C348-C352 PolarHBondContact O-N 3.37Å; C348-G353 WeakPolarHBondContact CB-O 3.17Å; C348-G353 PolarHBondContact N-O 3.26Å; C348-C368 CarbonylContact C-O 3.46Å; C348-C368 WeakPolarHBondContact CA-O 3.31Å; C348-C370 HydrophobicContact CB-CB 3.89Å; C348-C370 PolarHBondContact SG-N 3.46Å
349	T	97.6	Very high	92.3	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.025	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23	175.3	-71.1	0	0	0	0	113.5	L319 F320 Q345 Y347 R367 C368 F369	L319-T349 HydrophobicContact CD1-CG2 3.39Å; F320-T349 HydrophobicContact CE2-CG2 4.2Å; Q345-T349 PolarHBondContact OE1-OG1 2.83Å; Y347-T349 PolarHBondContact O-N 3.17Å; T349-R367 WeakPolarHBondContact OG1-CB 3.27Å; T349-C368 WeakPolarHBondContact CB-O 3.45Å; T349-C368 PolarHBondContact N-O 2.96Å; T349-C368 PolarHBondContact OG1-O 2.69Å; T349-F369 HydrophobicContact CG2-CE1 4.19Å; T349-F369 HydrophobicContact CG2-CZ 3.85Å
350	I	96.8	Very high	92.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-50.3	-177.7	-59.4	175.9	0	0	0	112.1	I306 S307 H317 F320 C348 F369 C373 L377 L406	I306-I350 HydrophobicContact CD1-CG2 4.42Å; S307-I350 PolarHBondContact OG-O 3.02Å; H317-I350 PolarHBondContact NE2-O 3.37Å; H317-I350 VanDerWaalsContact NE2-O 3.11Å; F320-I350 HydrophobicContact CD2-CG1 3.98Å; F320-I350 HydrophobicContact CE2-CD1 4.33Å; F320-I350 HydrophobicContact CE2-CG1 3.76Å; C348-I350 PolarHBondContact O-N 3.48Å; C348-I350 VanDerWaalsContact O-N 3.1Å; C348-I350 PolarHBondContact SG-N 3.38Å; C348-I350 VanDerWaalsContact SG-N 3.38Å; I350-F369 HydrophobicContact CD1-CD1 3.66Å; I350-F369 HydrophobicContact CD1-CE1 3.79Å; I350-F369 HydrophobicContact CG1-CD1 3.87Å; I350-F369 HydrophobicContact CG1-CE1 3.74Å; I350-C373 HydrophobicContact CB-CB 4.49Å; I350-C373 HydrophobicContact CD1-CB 4.08Å; I350-L377 HydrophobicContact CD1-CD1 4.1Å; I350-L377 HydrophobicContact CG2-CD1 4.03Å; I350-L406 HydrophobicContact CD1-CD1 3.81Å; I350-L406 HydrophobicContact CD1-CD2 3.93Å
351	C	94.3	Very high	92.6	Very high	22 Å²	22	51.3 Å²	51.3	15%	0.149	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-6.5	-171.5	67.4	0	0	0	0	114.5	S307 C348 G353 C373	S307-C351 VanDerWaalsContact O-CB 3.32Å; S307-C351 WeakPolarHBondContact O-CB 3.41Å; C348-C351 VanDerWaalsContact CB-SG 3.59Å; C351-G353 PolarHBondContact O-N 3.48Å; C351-C373 VanDerWaalsContact SG-SG 3.65Å
352	C	93	Very high	93	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.068	25%	0.248	C	C	.	.	S	Bend	trans	54	30.8	-174.9	-67.6	0	0	0	0	113.8	C331 F332 C335 C348	C331-C352 VanDerWaalsContact SG-CB 3.58Å; F332-C352 VanDerWaalsContact CD2-SG 3.51Å; C335-C352 HydrophobicContact CB-CB 3.74Å; C348-C352 VanDerWaalsContact O-CA 3.28Å; C348-C352 WeakPolarHBondContact O-CA 3.48Å; C348-C352 PolarHBondContact O-N 3.37Å
353	G	89.3	Confident	93	Very high	23 Å²	23	48.1 Å²	48.1	24%	0.237	26%	0.255	C	S	.	.			trans	-148.5	-135.2	171.2	0	0	0	0	0	110	C348 C351	C348-G353 WeakPolarHBondContact CB-O 3.17Å; C348-G353 PolarHBondContact N-O 3.26Å; C351-G353 PolarHBondContact O-N 3.48Å
354	G	78.8	Confident	93.1	Very high	37 Å²	37	49 Å²	49	38%	0.381	26%	0.256	S	S	.	.			trans	89	137.7	-177.4	0	0	0	0	0	112.2
355	R	82.4	Confident	93.2	Very high	249 Å²	249	46.3 Å²	46.3	94%	0.94	25%	0.246	S	C	*	.	S	Bend	trans	-84	-34.2	-179.4	-64.4	-175.7	-173.2	179.9	6	113
356	E	91.5	Very high	93.2	Very high	123 Å²	123	46.3 Å²	46.3	58%	0.575	25%	0.246	S	C	*	.	S	Bend	trans	-130.5	133.3	-179.8	-176.8	-179.1	-161.9	0	0	108.4	C370 V371	E356-C370 WeakPolarHBondContact O-CA 3.26Å; E356-C370 VanDerWaalsContact O-CB 3.29Å; E356-C370 WeakPolarHBondContact O-CB 2.73Å; E356-V371 HydrophobicContact CB-CG2 4.21Å; E356-V371 HydrophobicContact CG-CG2 3.91Å; E356-V371 PolarHBondContact O-N 3.36Å; E356-V371 VanDerWaalsContact O-N 3.14Å
357	V	95.6	Very high	93.4	Very high	49 Å²	49	45.8 Å²	45.8	30%	0.297	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.7	-174.3	-63.4	0	0	0	0	112.6	C368 F369 C370	V357-C368 HydrophobicContact CB-CB 4Å; V357-C368 HydrophobicContact CG1-CB 4.39Å; V357-C368 HydrophobicContact CG2-CB 4.09Å; V357-F369 WeakPolarHBondContact CA-O 3.46Å; V357-C370 HydrophobicContact CG1-CB 4.03Å
358	L	95.9	Very high	93.5	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.8	171.3	-52.4	178.5	0	0	0	108.6	C368 F369 V371 V374 A383 A386 I387 W392	L358-C368 CarbonylContact O-C 3.5Å; L358-C368 WeakPolarHBondContact O-CA 3.35Å; L358-F369 PolarHBondContact N-O 3.07Å; L358-F369 PolarHBondContact O-N 3.16Å; L358-V371 HydrophobicContact CD2-CG2 4.32Å; L358-V374 HydrophobicContact CD1-CG2 4.13Å; L358-A383 HydrophobicContact CD1-CB 4.26Å; L358-A386 HydrophobicContact CD1-CB 3.79Å; L358-I387 HydrophobicContact CD2-CD1 3.92Å; L358-I387 HydrophobicContact CD2-CG1 3.37Å; L358-W392 HydrophobicContact CB-CE3 4.37Å; L358-W392 HydrophobicContact CB-CH2 4.21Å; L358-W392 HydrophobicContact CB-CZ3 3.88Å
359	M	95.9	Very high	93.5	Very high	98 Å²	98	41.5 Å²	41.5	48%	0.483	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.1	176.1	-64.2	179.7	-72	0	0	110.3	Y344	Y344-M359 HydrophobicContact CD1-CB 3.9Å; Y344-M359 HydrophobicContact CD1-CG 4.04Å; Y344-M359 HydrophobicContact CD1-SD 4.49Å; Y344-M359 HydrophobicContact CD2-SD 4Å; Y344-M359 HydrophobicContact CE1-CB 3.85Å; Y344-M359 HydrophobicContact CE1-CG 4.45Å; Y344-M359 HydrophobicContact CE2-SD 4.39Å; Y344-M359 HydrophobicContact CG-CB 4.4Å; Y344-M359 HydrophobicContact CG-CG 4.12Å; Y344-M359 HydrophobicContact CG-SD 4.05Å
360	C	96.4	Very high	93.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-70.9	127.9	176.3	-173.8	0	0	0	0	111.3	Y344 N362 C365 R367 C394	Y344-C360 WeakPolarHBondContact CE1-O 3.09Å; Y344-C360 PolarHBondContact OH-O 3.09Å; C360-N362 VanDerWaalsContact C-N 3.32Å; C360-N362 PolarHBondContact O-N 3.34Å; C360-N362 VanDerWaalsContact SG-CB 3.6Å; C360-N362 PolarHBondContact SG-N 3.27Å; C360-C365 HydrophobicContact CB-CB 4.13Å; C360-C365 VanDerWaalsContact SG-SG 3.61Å; C360-R367 PolarHBondContact N-O 2.89Å; C360-C394 HydrophobicContact CB-CB 3.76Å; C360-C394 PolarHBondContact SG-N 2.92Å; C360-C394 VanDerWaalsContact SG-N 3.38Å
361	G	94.3	Very high	93.4	Very high	38 Å²	38	42.9 Å²	42.9	39%	0.392	23%	0.233	S	C	.	.			trans	-80.9	-4.2	175	0	0	0	0	0	115	W392	G361-W392 WeakPolarHBondContact CA-O 3.2Å; G361-W392 PolarHBondContact N-O 3.43Å
362	N	94.3	Very high	93.4	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.118	24%	0.242	C	C	.	.	S	Bend	trans	-71.5	131.8	177.6	-166.8	7.5	0	0	0	111.1	C360 N364 C365 N393 C397 E440	C360-N362 VanDerWaalsContact C-N 3.32Å; C360-N362 PolarHBondContact O-N 3.34Å; C360-N362 VanDerWaalsContact SG-CB 3.6Å; C360-N362 PolarHBondContact SG-N 3.27Å; N362-N364 PolarHBondContact O-N 3.06Å; N362-C365 HydrophobicContact CB-CB 4.06Å; N362-C365 VanDerWaalsContact O-CB 3.31Å; N362-C365 WeakPolarHBondContact O-CB 3.42Å; N362-C365 PolarHBondContact O-N 3.4Å; N362-N393 WeakPolarHBondContact CB-OD1 3.4Å; N362-C397 HydrophobicContact CB-CB 4.25Å; N362-C397 WeakPolarHBondContact ND2-CB 3.43Å; N362-C397 PolarHBondContact ND2-SG 3.24Å; N362-E440 PolarHBondContact ND2-OE1 3Å
363	N	92	Very high	93.6	Very high	125 Å²	125	44.9 Å²	44.9	67%	0.668	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	139.3	177.6	-81.8	0.7	0	0	0	111.9	C365 A439	N363-C365 PolarHBondContact O-N 2.94Å; N363-C365 VanDerWaalsContact O-N 3.09Å; N363-A439 WeakPolarHBondContact O-CB 3.32Å
364	N	93.7	Very high	94	Very high	33 Å²	33	43.8 Å²	43.8	18%	0.176	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-0.9	-176	-48.7	-57.8	0	0	0	116	N362 A439 R442 A721 C722	N362-N364 PolarHBondContact O-N 3.06Å; N364-A439 WeakPolarHBondContact CB-O 3.41Å; N364-A439 PolarHBondContact ND2-O 3.24Å; N364-R442 HydrophobicContact CB-CB 4.11Å; N364-R442 PolarHBondContact O-NH1 3.37Å; N364-A721 VanDerWaalsContact OD1-CA 3.32Å; N364-A721 WeakPolarHBondContact OD1-CA 3.41Å; N364-A721 WeakPolarHBondContact OD1-CB 3.29Å; N364-C722 PolarHBondContact OD1-N 2.95Å; N364-C722 PolarHBondContact OD1-O 3.11Å
365	C	95.4	Very high	94.8	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.034	22%	0.222	C	C	.	.			trans	-89.5	128.3	174	-170.4	0	0	0	0	109.8	Y344 C360 N362 N363 C397 A439	Y344-C365 WeakPolarHBondContact CE1-O 3.15Å; C360-C365 HydrophobicContact CB-CB 4.13Å; C360-C365 VanDerWaalsContact SG-SG 3.61Å; N362-C365 HydrophobicContact CB-CB 4.06Å; N362-C365 VanDerWaalsContact O-CB 3.31Å; N362-C365 WeakPolarHBondContact O-CB 3.42Å; N362-C365 PolarHBondContact O-N 3.4Å; N363-C365 PolarHBondContact O-N 2.94Å; N363-C365 VanDerWaalsContact O-N 3.09Å; C365-C397 PolarHBondContact SG-SG 3.44Å; C365-A439 HydrophobicContact CB-CB 3.97Å
366	C	95.9	Very high	95.3	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.041	18%	0.181	C	C	.	.			trans	-116.9	22.2	-176	-53.1	0	0	0	0	111.7	Y339 G343 Q345 K717	Y339-C366 HydrophobicContact CD1-CB 4.26Å; Y339-C366 HydrophobicContact CE1-CB 3.95Å; G343-C366 WeakPolarHBondContact O-CB 3.26Å; Q345-C366 WeakPolarHBondContact CB-O 3.19Å; Q345-C366 WeakPolarHBondContact CG-O 3.46Å; Q345-C366 PolarHBondContact N-O 3.22Å; C366-K717 VanDerWaalsContact CB-NZ 3.26Å; C366-K717 PolarHBondContact SG-NZ 3.34Å
367	R	96.4	Very high	95.6	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.038	15%	0.154	C	C	.	.			trans	-87.6	144.8	-174	-69.1	-176.8	-178.8	-79.5	-5.1	111.2	T349 C360 F369 E718	T349-R367 WeakPolarHBondContact OG1-CB 3.27Å; C360-R367 PolarHBondContact N-O 2.89Å; R367-F369 HydrophobicContact CB-CE2 4.1Å; R367-E718 IonicContact CZ-OE1 2.78Å; R367-E718 IonicContact CZ-OE2 2.8Å; R367-E718 IonicContact NE-OE1 2.76Å; R367-E718 IonicContact NE-OE2 3.74Å; R367-E718 IonicContact NH2-OE1 2.96Å; R367-E718 PolarHBondContact NH2-OE1 3.34Å; R367-E718 IonicContact NH2-OE2 3.71Å; R367-E718 PolarHBondContact NH2-OE2 3.05Å
368	C	96.6	Very high	95.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.7	-179.7	-67.4	0	0	0	0	110.4	Q345 C348 T349 V357 L358	Q345-C368 HydrophobicContact CB-CB 4.37Å; Q345-C368 PolarHBondContact O-SG 2.91Å; C348-C368 CarbonylContact C-O 3.46Å; C348-C368 WeakPolarHBondContact CA-O 3.31Å; T349-C368 WeakPolarHBondContact CB-O 3.45Å; T349-C368 PolarHBondContact N-O 2.96Å; T349-C368 PolarHBondContact OG1-O 2.69Å; V357-C368 HydrophobicContact CB-CB 4Å; V357-C368 HydrophobicContact CG1-CB 4.39Å; V357-C368 HydrophobicContact CG2-CB 4.09Å; L358-C368 CarbonylContact O-C 3.5Å; L358-C368 WeakPolarHBondContact O-CA 3.35Å
369	F	97.9	Very high	95.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.3	176.7	-71.5	-96.1	0	0	0	109.9	F320 T349 I350 V357 L358 R367 V374 W392 C394 Y395 M396	F320-F369 AromaticContact CE2-CE1 3.86Å; F320-F369 HydrophobicContact CE2-CE1 3.86Å; F320-F369 HydrophobicContact CE2-CZ 4.26Å; F320-F369 AromaticContact CZ-CE1 3.67Å; F320-F369 HydrophobicContact CZ-CE1 3.67Å; F320-F369 AromaticContact CZ-CZ 3.89Å; F320-F369 HydrophobicContact CZ-CZ 3.89Å; T349-F369 HydrophobicContact CG2-CE1 4.19Å; T349-F369 HydrophobicContact CG2-CZ 3.85Å; I350-F369 HydrophobicContact CD1-CD1 3.66Å; I350-F369 HydrophobicContact CD1-CE1 3.79Å; I350-F369 HydrophobicContact CG1-CD1 3.87Å; I350-F369 HydrophobicContact CG1-CE1 3.74Å; V357-F369 WeakPolarHBondContact CA-O 3.46Å; L358-F369 PolarHBondContact N-O 3.07Å; L358-F369 PolarHBondContact O-N 3.16Å; R367-F369 HydrophobicContact CB-CE2 4.1Å; F369-V374 HydrophobicContact CB-CG2 3.89Å; F369-W392 HydrophobicContact CB-CH2 4.28Å; F369-W392 AromaticContact CD2-CH2 3.93Å; F369-W392 HydrophobicContact CD2-CH2 3.93Å; F369-W392 HydrophobicContact CD2-CZ3 4.49Å; F369-W392 HydrophobicContact CG-CH2 4.32Å; F369-C394 HydrophobicContact CD2-CB 3.87Å; F369-C394 HydrophobicContact CE2-CB 3.52Å; F369-C394 HydrophobicContact CZ-CB 4.48Å; F369-Y395 HydrophobicContact CB-CE2 4.47Å; F369-Y395 AromaticContact CD1-CD2 3.69Å; F369-Y395 HydrophobicContact CD1-CD2 3.69Å; F369-Y395 HydrophobicContact CD1-CE2 4.1Å; F369-Y395 HydrophobicContact CD2-CD2 4.35Å; F369-Y395 AromaticContact CE1-CD2 3.75Å; F369-Y395 HydrophobicContact CE1-CD2 3.75Å; F369-Y395 HydrophobicContact CE2-CD2 4.42Å; F369-Y395 HydrophobicContact CG-CD2 4.01Å; F369-Y395 HydrophobicContact CG-CE2 4.17Å; F369-Y395 HydrophobicContact CZ-CD2 4.13Å; F369-M396 HydrophobicContact CZ-CG 4.11Å
370	C	96.8	Very high	95.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.4	179.7	72.5	0	0	0	0	112.3	C348 E356 V357 E372 C373 V374	C348-C370 HydrophobicContact CB-CB 3.89Å; C348-C370 PolarHBondContact SG-N 3.46Å; E356-C370 WeakPolarHBondContact O-CA 3.26Å; E356-C370 VanDerWaalsContact O-CB 3.29Å; E356-C370 WeakPolarHBondContact O-CB 2.73Å; V357-C370 HydrophobicContact CG1-CB 4.03Å; C370-E372 PolarHBondContact O-N 3.36Å; C370-C373 PolarHBondContact O-N 2.71Å; C370-C373 VanDerWaalsContact SG-CB 3.57Å; C370-C373 PolarHBondContact SG-N 3.34Å; C370-C373 VanDerWaalsContact SG-N 3.42Å; C370-C373 PolarHBondContact SG-SG 2.97Å; C370-V374 PolarHBondContact O-N 3.18Å; C370-V374 VanDerWaalsContact O-N 3.12Å
371	V	95.8	Very high	95.4	Very high	32 Å²	32	29.1 Å²	29.1	19%	0.194	18%	0.184	C	C	.	.	H	α-helix	trans	-50.3	-45.7	-179.8	171.1	0	0	0	0	111.1	E356 L358 C373 V374 D375 A383	E356-V371 HydrophobicContact CB-CG2 4.21Å; E356-V371 HydrophobicContact CG-CG2 3.91Å; E356-V371 PolarHBondContact O-N 3.36Å; E356-V371 VanDerWaalsContact O-N 3.14Å; L358-V371 HydrophobicContact CD2-CG2 4.32Å; V371-C373 PolarHBondContact O-N 3.32Å; V371-V374 PolarHBondContact O-N 2.95Å; V371-D375 PolarHBondContact O-N 3.48Å; V371-A383 HydrophobicContact CB-CB 4.22Å; V371-A383 HydrophobicContact CG1-CB 3.71Å; V371-A383 HydrophobicContact CG2-CB 4.37Å
372	E	94	Very high	95.5	Very high	74 Å²	74	28.3 Å²	28.3	35%	0.346	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-48.5	178.3	-170.3	-154.9	140.1	0	0	112.6	R287 C370 V374 D375 L376	R287-E372 IonicContact CZ-OE1 3.92Å; R287-E372 IonicContact NH1-OE1 3.78Å; R287-E372 PolarHBondContact NH1-OE1 3.21Å; C370-E372 PolarHBondContact O-N 3.36Å; E372-V374 VanDerWaalsContact C-N 3.27Å; E372-V374 PolarHBondContact O-N 3.48Å; E372-D375 PolarHBondContact O-N 3.48Å; E372-L376 HydrophobicContact CG-CD1 3.91Å; E372-L376 HydrophobicContact CG-CG 4.45Å; E372-L376 VanDerWaalsContact O-CB 3.31Å; E372-L376 WeakPolarHBondContact O-CB 2.98Å; E372-L376 WeakPolarHBondContact O-CG 3.33Å; E372-L376 PolarHBondContact O-N 2.91Å
373	C	96.2	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-38	179.2	-77.4	0	0	0	0	111.7	R287 I350 C351 C370 V371 L377	R287-C373 PolarHBondContact NH2-SG 3.34Å; I350-C373 HydrophobicContact CB-CB 4.49Å; I350-C373 HydrophobicContact CD1-CB 4.08Å; C351-C373 VanDerWaalsContact SG-SG 3.65Å; C370-C373 PolarHBondContact O-N 2.71Å; C370-C373 VanDerWaalsContact SG-CB 3.57Å; C370-C373 PolarHBondContact SG-N 3.34Å; C370-C373 VanDerWaalsContact SG-N 3.42Å; C370-C373 PolarHBondContact SG-SG 2.97Å; V371-C373 PolarHBondContact O-N 3.32Å; C373-L377 VanDerWaalsContact O-CB 3.29Å; C373-L377 WeakPolarHBondContact O-CB 3.4Å; C373-L377 WeakPolarHBondContact O-CG 3.39Å; C373-L377 PolarHBondContact O-N 3.37Å
374	V	97.3	Very high	95.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-50.7	179.6	173.8	0	0	0	0	110.8	L358 F369 C370 V371 E372 L376 V378 G379 A382 A383 Y395	L358-V374 HydrophobicContact CD1-CG2 4.13Å; F369-V374 HydrophobicContact CB-CG2 3.89Å; C370-V374 PolarHBondContact O-N 3.18Å; C370-V374 VanDerWaalsContact O-N 3.12Å; V371-V374 PolarHBondContact O-N 2.95Å; E372-V374 VanDerWaalsContact C-N 3.27Å; E372-V374 PolarHBondContact O-N 3.48Å; V374-L376 VanDerWaalsContact C-N 3.28Å; V374-L376 PolarHBondContact O-N 3.11Å; V374-V378 HydrophobicContact CG1-CB 4.34Å; V374-V378 HydrophobicContact CG1-CG2 4.33Å; V374-V378 WeakPolarHBondContact O-CA 3.4Å; V374-V378 WeakPolarHBondContact O-CB 3.4Å; V374-V378 PolarHBondContact O-N 3.25Å; V374-G379 PolarHBondContact O-N 3.2Å; V374-A382 HydrophobicContact CG1-CB 3.81Å; V374-A383 HydrophobicContact CB-CB 4.16Å; V374-A383 HydrophobicContact CG1-CB 3.99Å; V374-Y395 WeakPolarHBondContact CG1-OH 3.16Å; V374-Y395 HydrophobicContact CG2-CE2 3.77Å
375	D	95.4	Very high	95.9	Very high	48 Å²	48	27 Å²	27	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-65.9	-33.5	-178.6	-80.3	-14	0	0	0	112.4	R295 V371 E372 G379 G381 A382 A383	R295-D375 PolarHBondContact NH2-O 3.1Å; V371-D375 PolarHBondContact O-N 3.48Å; E372-D375 PolarHBondContact O-N 3.48Å; D375-G379 WeakPolarHBondContact CA-O 3.42Å; D375-G379 CarbonylContact O-C 2.97Å; D375-G381 PolarHBondContact OD1-N 3.43Å; D375-G381 VanDerWaalsContact OD1-N 3.1Å; D375-A382 PolarHBondContact OD1-N 3.22Å; D375-A382 VanDerWaalsContact OD1-N 3.09Å; D375-A383 WeakPolarHBondContact OD1-CB 3.41Å; D375-A383 PolarHBondContact OD1-N 3.46Å
376	L	94.4	Very high	95.9	Very high	17 Å²	17	27 Å²	27	9%	0.089	17%	0.172	C	C	.	.	H	α-helix	trans	-74.8	-51.8	176.2	-66.3	-178.9	0	0	0	113	R287 E288 V291 R295 E372 V374	R287-L376 HydrophobicContact CG-CD1 4.21Å; E288-L376 HydrophobicContact CB-CD2 3.98Å; E288-L376 HydrophobicContact CG-CD1 4.3Å; E288-L376 HydrophobicContact CG-CD2 3.66Å; V291-L376 WeakPolarHBondContact CG1-O 3.07Å; R295-L376 VanDerWaalsContact CZ-O 3.25Å; R295-L376 PolarHBondContact NH2-O 3.3Å; E372-L376 HydrophobicContact CG-CD1 3.91Å; E372-L376 HydrophobicContact CG-CG 4.45Å; E372-L376 VanDerWaalsContact O-CB 3.31Å; E372-L376 WeakPolarHBondContact O-CB 2.98Å; E372-L376 WeakPolarHBondContact O-CG 3.33Å; E372-L376 PolarHBondContact O-N 2.91Å; V374-L376 VanDerWaalsContact C-N 3.28Å; V374-L376 PolarHBondContact O-N 3.11Å
377	L	96.4	Very high	95.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-89.4	-32.6	-169.8	-59	172.7	0	0	0	112.8	V291 I350 C373 L405 L406	V291-L377 HydrophobicContact CG1-CD2 4.42Å; V291-L377 HydrophobicContact CG2-CD2 4.05Å; I350-L377 HydrophobicContact CD1-CD1 4.1Å; I350-L377 HydrophobicContact CG2-CD1 4.03Å; C373-L377 VanDerWaalsContact O-CB 3.29Å; C373-L377 WeakPolarHBondContact O-CB 3.4Å; C373-L377 WeakPolarHBondContact O-CG 3.39Å; C373-L377 PolarHBondContact O-N 3.37Å; L377-L405 WeakPolarHBondContact O-CA 3.19Å; L377-L405 WeakPolarHBondContact O-CB 3.35Å; L377-L405 PolarHBondContact O-N 3.21Å; L377-L406 HydrophobicContact CB-CB 4.16Å; L377-L406 HydrophobicContact CB-CD1 4.32Å; L377-L406 HydrophobicContact CD1-CD1 3.99Å; L377-L406 PolarHBondContact O-N 2.98Å
378	V	96.6	Very high	95.8	Very high	27 Å²	27	38.2 Å²	38.2	16%	0.164	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-52.8	179.2	-176.5	0	0	0	0	110.4	V374 A382 Y395 G404 L406	V374-V378 HydrophobicContact CG1-CB 4.34Å; V374-V378 HydrophobicContact CG1-CG2 4.33Å; V374-V378 WeakPolarHBondContact O-CA 3.4Å; V374-V378 WeakPolarHBondContact O-CB 3.4Å; V374-V378 PolarHBondContact O-N 3.25Å; V378-A382 HydrophobicContact CB-CB 4.03Å; V378-A382 HydrophobicContact CG1-CB 3.83Å; V378-Y395 HydrophobicContact CG1-CE1 4.5Å; V378-Y395 HydrophobicContact CG2-CE1 3.92Å; V378-Y395 HydrophobicContact CG2-CE2 4.23Å; V378-G404 WeakPolarHBondContact O-CA 3.46Å; V378-L406 HydrophobicContact CG2-CB 4.2Å; V378-L406 HydrophobicContact CG2-CD2 4.14Å
379	G	94.8	Very high	95.7	Very high	15 Å²	15	43.4 Å²	43.4	16%	0.155	25%	0.247	C	C	.	.			trans	162.4	146.2	-176.9	0	0	0	0	0	112.3	R295 V374 D375 G381 A382	R295-G379 VanDerWaalsContact NH2-CA 3.35Å; V374-G379 PolarHBondContact O-N 3.2Å; D375-G379 WeakPolarHBondContact CA-O 3.42Å; D375-G379 CarbonylContact O-C 2.97Å; G379-G381 PolarHBondContact O-N 3.44Å; G379-A382 WeakPolarHBondContact O-CB 3.49Å; G379-A382 PolarHBondContact O-N 3.21Å
380	P	94.3	Very high	95.3	Very high	115 Å²	115	50.9 Å²	50.9	75%	0.747	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	129.2	178.1	25.8	-33.9	0	0	0	110.8	A382	P380-A382 VanDerWaalsContact C-N 3.29Å
381	G	94.5	Very high	94.8	Very high	40 Å²	40	54.9 Å²	54.9	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	1.6	-177.2	0	0	0	0	0	114.5	D375 G379 A383 Q384 A385	D375-G381 PolarHBondContact OD1-N 3.43Å; D375-G381 VanDerWaalsContact OD1-N 3.1Å; G379-G381 PolarHBondContact O-N 3.44Å; G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 2.68Å; G381-Q384 PolarHBondContact O-N 2.96Å; G381-A385 PolarHBondContact O-N 2.87Å
382	A	96.6	Very high	94.8	Very high	21 Å²	21	54.4 Å²	54.4	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-33.2	175.7	0	0	0	0	0	111.8	V374 D375 V378 G379 P380 A385 A386	V374-A382 HydrophobicContact CG1-CB 3.81Å; D375-A382 PolarHBondContact OD1-N 3.22Å; D375-A382 VanDerWaalsContact OD1-N 3.09Å; V378-A382 HydrophobicContact CB-CB 4.03Å; V378-A382 HydrophobicContact CG1-CB 3.83Å; G379-A382 WeakPolarHBondContact O-CB 3.49Å; G379-A382 PolarHBondContact O-N 3.21Å; P380-A382 VanDerWaalsContact C-N 3.29Å; A382-A385 PolarHBondContact O-N 2.95Å; A382-A386 WeakPolarHBondContact O-CB 3.34Å; A382-A386 PolarHBondContact O-N 3.4Å
383	A	96	Very high	94.9	Very high	1 Å²	1	54 Å²	54	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175.6	0	0	0	0	0	110.9	L358 V371 V374 D375 G381 A385 A386 I387	L358-A383 HydrophobicContact CD1-CB 4.26Å; V371-A383 HydrophobicContact CB-CB 4.22Å; V371-A383 HydrophobicContact CG1-CB 3.71Å; V371-A383 HydrophobicContact CG2-CB 4.37Å; V374-A383 HydrophobicContact CB-CB 4.16Å; V374-A383 HydrophobicContact CG1-CB 3.99Å; D375-A383 WeakPolarHBondContact OD1-CB 3.41Å; D375-A383 PolarHBondContact OD1-N 3.46Å; G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 2.68Å; A383-A385 VanDerWaalsContact C-N 3.27Å; A383-A385 PolarHBondContact O-N 3.19Å; A383-A386 WeakPolarHBondContact O-CB 3.48Å; A383-A386 PolarHBondContact O-N 3.11Å; A383-A386 VanDerWaalsContact O-N 3.14Å; A383-I387 VanDerWaalsContact O-CG1 3.31Å; A383-I387 WeakPolarHBondContact O-CG1 3.38Å; A383-I387 PolarHBondContact O-N 3.23Å
384	Q	95.9	Very high	94.9	Very high	94 Å²	94	54 Å²	54	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-32.4	177	-174.1	59	68.4	0	0	112.8	G381 K388	G381-Q384 PolarHBondContact O-N 2.96Å; Q384-K388 WeakPolarHBondContact O-CG 3.34Å; Q384-K388 PolarHBondContact O-N 3.04Å
385	A	96.5	Very high	94.8	Very high	57 Å²	57	54.4 Å²	54.4	47%	0.471	31%	0.31	S	S	.	.	H	α-helix	trans	-66.2	-45.5	172.6	0	0	0	0	0	111.2	G381 A382 A383 K388 E389	G381-A385 PolarHBondContact O-N 2.87Å; A382-A385 PolarHBondContact O-N 2.95Å; A383-A385 VanDerWaalsContact C-N 3.27Å; A383-A385 PolarHBondContact O-N 3.19Å; A385-K388 PolarHBondContact O-N 3.32Å; A385-E389 PolarHBondContact O-N 2.64Å
386	A	95.9	Very high	94.8	Very high	6 Å²	6	52.9 Å²	52.9	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-40.4	175.7	0	0	0	0	0	112.6	L358 A382 A383 K388 E389 W392	L358-A386 HydrophobicContact CD1-CB 3.79Å; A382-A386 WeakPolarHBondContact O-CB 3.34Å; A382-A386 PolarHBondContact O-N 3.4Å; A383-A386 WeakPolarHBondContact O-CB 3.48Å; A383-A386 PolarHBondContact O-N 3.11Å; A383-A386 VanDerWaalsContact O-N 3.14Å; A386-K388 PolarHBondContact O-N 3.43Å; A386-E389 PolarHBondContact O-N 3.29Å; A386-E389 VanDerWaalsContact O-N 3.08Å; A386-W392 HydrophobicContact CB-CD2 4.08Å; A386-W392 HydrophobicContact CB-CG 3.97Å; A386-W392 HydrophobicContact CB-CZ2 4.36Å
387	I	95	Very high	94.8	Very high	86 Å²	86	52.9 Å²	52.9	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-33	175.6	-69	166.7	0	0	0	111.9	L358 A383 E389	L358-I387 HydrophobicContact CD2-CD1 3.92Å; L358-I387 HydrophobicContact CD2-CG1 3.37Å; A383-I387 VanDerWaalsContact O-CG1 3.31Å; A383-I387 WeakPolarHBondContact O-CG1 3.38Å; A383-I387 PolarHBondContact O-N 3.23Å; I387-E389 VanDerWaalsContact C-N 3.35Å
388	K	95.5	Very high	94.4	Very high	166 Å²	166	53.1 Å²	53.1	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.8	179.3	-71.1	176.2	178.9	179.5	0	113	Q384 A385 A386	Q384-K388 WeakPolarHBondContact O-CG 3.34Å; Q384-K388 PolarHBondContact O-N 3.04Å; A385-K388 PolarHBondContact O-N 3.32Å; A386-K388 PolarHBondContact O-N 3.43Å
389	E	93.6	Very high	93.9	Very high	109 Å²	109	60.8 Å²	60.8	51%	0.509	34%	0.339	S	S	.	.	S	Bend	trans	-92.5	119.2	179.7	-174.7	178.4	170.2	0	0	109.3	A385 A386 I387 W392	A385-E389 PolarHBondContact O-N 2.64Å; A386-E389 PolarHBondContact O-N 3.29Å; A386-E389 VanDerWaalsContact O-N 3.08Å; I387-E389 VanDerWaalsContact C-N 3.35Å; E389-W392 HydrophobicContact CB-CB 4.29Å; E389-W392 HydrophobicContact CG-CB 4.42Å; E389-W392 WeakPolarHBondContact O-CB 3.47Å; E389-W392 PolarHBondContact O-N 3.06Å
390	D	89.1	Confident	93.6	Very high	157 Å²	157	67.4 Å²	67.4	84%	0.84	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132	114.7	178.7	-175.5	23.7	0	0	0	110
391	P	87.6	Confident	93.2	Very high	86 Å²	86	62.8 Å²	62.8	56%	0.558	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.2	134.8	-1.8	32.2	-33.4	0	0	0	113
392	W	95.4	Very high	93.1	Very high	22 Å²	22	64.1 Å²	64.1	8%	0.083	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-84.6	126.4	172.4	177.3	73.5	0	0	0	112.4	L358 G361 F369 A386 E389 C394 Y395	L358-W392 HydrophobicContact CB-CE3 4.37Å; L358-W392 HydrophobicContact CB-CH2 4.21Å; L358-W392 HydrophobicContact CB-CZ3 3.88Å; G361-W392 WeakPolarHBondContact CA-O 3.2Å; G361-W392 PolarHBondContact N-O 3.43Å; F369-W392 HydrophobicContact CB-CH2 4.28Å; F369-W392 AromaticContact CD2-CH2 3.93Å; F369-W392 HydrophobicContact CD2-CH2 3.93Å; F369-W392 HydrophobicContact CD2-CZ3 4.49Å; F369-W392 HydrophobicContact CG-CH2 4.32Å; A386-W392 HydrophobicContact CB-CD2 4.08Å; A386-W392 HydrophobicContact CB-CG 3.97Å; A386-W392 HydrophobicContact CB-CZ2 4.36Å; E389-W392 HydrophobicContact CB-CB 4.29Å; E389-W392 HydrophobicContact CG-CB 4.42Å; E389-W392 WeakPolarHBondContact O-CB 3.47Å; E389-W392 PolarHBondContact O-N 3.06Å; W392-C394 HydrophobicContact CH2-CB 3.67Å; W392-C394 HydrophobicContact CZ2-CB 4.35Å; W392-C394 HydrophobicContact CZ3-CB 3.75Å; W392-Y395 HydrophobicContact CH2-CD2 4.46Å; W392-Y395 HydrophobicContact CH2-CE2 4.02Å; W392-Y395 HydrophobicContact CZ2-CD2 4.24Å; W392-Y395 HydrophobicContact CZ2-CE1 4.23Å; W392-Y395 AromaticContact CZ2-CE2 3.61Å; W392-Y395 HydrophobicContact CZ2-CE2 3.61Å; W392-Y395 AromaticContact CZ2-CZ 3.62Å
393	N	95	Very high	93	Very high	66 Å²	66	65.9 Å²	65.9	35%	0.353	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-94.9	125.6	173.5	-79.1	-17.6	0	0	0	111.5	N362	N362-N393 WeakPolarHBondContact CB-OD1 3.4Å
394	C	96.3	Very high	93	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.3	164.5	179.5	81.1	0	0	0	0	113.2	C360 F369 W392 M396 C397 G398	C360-C394 HydrophobicContact CB-CB 3.76Å; C360-C394 PolarHBondContact SG-N 2.92Å; C360-C394 VanDerWaalsContact SG-N 3.38Å; F369-C394 HydrophobicContact CD2-CB 3.87Å; F369-C394 HydrophobicContact CE2-CB 3.52Å; F369-C394 HydrophobicContact CZ-CB 4.48Å; W392-C394 HydrophobicContact CH2-CB 3.67Å; W392-C394 HydrophobicContact CZ2-CB 4.35Å; W392-C394 HydrophobicContact CZ3-CB 3.75Å; C394-M396 PolarHBondContact O-N 3.37Å; C394-C397 PolarHBondContact O-N 2.6Å; C394-C397 VanDerWaalsContact SG-SG 3.69Å; C394-G398 PolarHBondContact O-N 2.92Å
395	Y	96.4	Very high	92.9	Very high	8 Å²	8	66.1 Å²	66.1	3%	0.031	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13	-176.2	-46.8	-67.2	0	0	0	114.8	F369 V374 V378 W392 Y403 L406	F369-Y395 HydrophobicContact CB-CE2 4.47Å; F369-Y395 AromaticContact CD1-CD2 3.69Å; F369-Y395 HydrophobicContact CD1-CD2 3.69Å; F369-Y395 HydrophobicContact CD1-CE2 4.1Å; F369-Y395 HydrophobicContact CD2-CD2 4.35Å; F369-Y395 AromaticContact CE1-CD2 3.75Å; F369-Y395 HydrophobicContact CE1-CD2 3.75Å; F369-Y395 HydrophobicContact CE2-CD2 4.42Å; F369-Y395 HydrophobicContact CG-CD2 4.01Å; F369-Y395 HydrophobicContact CG-CE2 4.17Å; F369-Y395 HydrophobicContact CZ-CD2 4.13Å; V374-Y395 WeakPolarHBondContact CG1-OH 3.16Å; V374-Y395 HydrophobicContact CG2-CE2 3.77Å; V378-Y395 HydrophobicContact CG1-CE1 4.5Å; V378-Y395 HydrophobicContact CG2-CE1 3.92Å; V378-Y395 HydrophobicContact CG2-CE2 4.23Å; W392-Y395 HydrophobicContact CH2-CD2 4.46Å; W392-Y395 HydrophobicContact CH2-CE2 4.02Å; W392-Y395 HydrophobicContact CZ2-CD2 4.24Å; W392-Y395 HydrophobicContact CZ2-CE1 4.23Å; W392-Y395 AromaticContact CZ2-CE2 3.61Å; W392-Y395 HydrophobicContact CZ2-CE2 3.61Å; W392-Y395 AromaticContact CZ2-CZ 3.62Å; Y395-Y403 AromaticContact CD1-CD1 3.79Å; Y395-Y403 HydrophobicContact CD1-CD1 3.79Å; Y395-Y403 AromaticContact CD1-CD2 3.48Å; Y395-Y403 HydrophobicContact CD1-CD2 3.48Å; Y395-Y403 VanDerWaalsContact CD1-CD2 3.48Å; Y395-Y403 HydrophobicContact CD1-CE1 4.16Å; Y395-Y403 AromaticContact CD1-CE2 3.87Å; Y395-Y403 HydrophobicContact CD1-CE2 3.87Å; Y395-Y403 AromaticContact CD1-CG 3.42Å; Y395-Y403 HydrophobicContact CD1-CG 3.42Å; Y395-Y403 VanDerWaalsContact CD1-CG 3.42Å; Y395-Y403 AromaticContact CE1-CD1 3.94Å; Y395-Y403 HydrophobicContact CE1-CD1 3.94Å; Y395-Y403 HydrophobicContact CE1-CD2 4.39Å; Y395-Y403 HydrophobicContact CE1-CE1 4.46Å; Y395-Y403 AromaticContact CE1-CG 3.9Å; Y395-Y403 HydrophobicContact CE1-CG 3.9Å; Y395-Y403 HydrophobicContact CG-CD2 4.22Å; Y395-Y403 HydrophobicContact CG-CG 4.47Å; Y395-L406 HydrophobicContact CD2-CD2 3.78Å; Y395-L406 HydrophobicContact CE2-CD2 4.42Å; Y395-L406 HydrophobicContact CG-CD2 3.82Å
396	M	95.4	Very high	92.9	Very high	16 Å²	16	63.6 Å²	63.6	8%	0.079	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-25.9	171.5	-66	-61.8	-69.5	0	0	112.6	L319 F320 F369 C394 R408 W412	L319-M396 HydrophobicContact CB-CE 4.41Å; L319-M396 HydrophobicContact CB-SD 4.34Å; L319-M396 HydrophobicContact CD2-CE 4.14Å; F320-M396 HydrophobicContact CE1-SD 3.97Å; F320-M396 HydrophobicContact CE2-SD 4.06Å; F320-M396 HydrophobicContact CZ-CG 3.97Å; F320-M396 HydrophobicContact CZ-SD 3.53Å; F320-M396 VanDerWaalsContact CZ-SD 3.53Å; F369-M396 HydrophobicContact CZ-CG 4.11Å; C394-M396 PolarHBondContact O-N 3.37Å; M396-R408 HydrophobicContact CE-CG 4.3Å; M396-R408 PolarHBondContact O-NH1 3.2Å; M396-R408 HydrophobicContact SD-CG 3.85Å; M396-W412 HydrophobicContact CE-CD2 3.59Å; M396-W412 HydrophobicContact CE-CE3 3.96Å; M396-W412 HydrophobicContact CE-CG 3.99Å; M396-W412 HydrophobicContact CE-CH2 4.27Å; M396-W412 HydrophobicContact CE-CZ2 3.97Å; M396-W412 HydrophobicContact CE-CZ3 4.28Å
397	C	93.7	Very high	93	Very high	18 Å²	18	69.8 Å²	69.8	12%	0.122	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-32.6	-179.4	-67.6	0	0	0	0	112.9	N362 C365 C394	N362-C397 HydrophobicContact CB-CB 4.25Å; N362-C397 WeakPolarHBondContact ND2-CB 3.43Å; N362-C397 PolarHBondContact ND2-SG 3.24Å; C365-C397 PolarHBondContact SG-SG 3.44Å; C394-C397 PolarHBondContact O-N 2.6Å; C394-C397 VanDerWaalsContact SG-SG 3.69Å
398	G	89.3	Confident	93.1	Very high	5 Å²	5	67.8 Å²	67.8	5%	0.052	34%	0.344	C	S	.	.	S	Bend	trans	-54.1	145.2	-177	0	0	0	0	0	114	C394 K400 Y403 R408	C394-G398 PolarHBondContact O-N 2.92Å; G398-K400 VanDerWaalsContact C-N 3.26Å; G398-K400 PolarHBondContact O-N 3.1Å; G398-Y403 WeakPolarHBondContact CA-OH 3.38Å; G398-R408 PolarHBondContact O-NH1 3.46Å; G398-R408 VanDerWaalsContact O-NH1 3.12Å
399	H	85.7	Confident	93.1	Very high	189 Å²	189	60.8 Å²	60.8	88%	0.875	31%	0.313	S	S	*	.	S	Bend	trans	-67.3	-27.3	176.6	-61.1	-64.2	0	0	0	112.7
400	K	87.3	Confident	93.1	Very high	153 Å²	153	62.8 Å²	62.8	67%	0.665	32%	0.322	S	S	*	.			trans	-81.2	131.2	174.1	-69	-177.7	179.7	177	0	109	G398 T402 Y403	G398-K400 VanDerWaalsContact C-N 3.26Å; G398-K400 PolarHBondContact O-N 3.1Å; K400-T402 VanDerWaalsContact C-N 3.34Å; K400-Y403 HydrophobicContact CB-CE2 4.29Å; K400-Y403 WeakPolarHBondContact O-CE2 3.34Å
401	G	86.7	Confident	93.2	Very high	18 Å²	18	58.9 Å²	58.9	19%	0.186	30%	0.301	C	S	.	.	S	Bend	trans	-82.5	-8.5	176.2	0	0	0	0	0	114.5	R407 R408	G401-R407 CarbonylContact O-C 3.56Å; G401-R407 WeakPolarHBondContact O-CA 3.01Å; G401-R407 WeakPolarHBondContact O-CG 3.32Å; G401-R408 PolarHBondContact O-N 3.42Å
402	T	92.8	Very high	93.4	Very high	69 Å²	69	56.7 Å²	56.7	42%	0.423	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.4	-173.9	-54.7	0	0	0	0	111.4	K400 R407	K400-T402 VanDerWaalsContact C-N 3.34Å; T402-R407 PolarHBondContact OG1-NE 2.65Å
403	Y	94.9	Very high	93.1	Very high	58 Å²	58	56.7 Å²	56.7	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	96.5	180	-66.8	-87.3	0	0	0	109.5	Y395 G398 K400 L405 L406	Y395-Y403 AromaticContact CD1-CD1 3.79Å; Y395-Y403 HydrophobicContact CD1-CD1 3.79Å; Y395-Y403 AromaticContact CD1-CD2 3.48Å; Y395-Y403 HydrophobicContact CD1-CD2 3.48Å; Y395-Y403 VanDerWaalsContact CD1-CD2 3.48Å; Y395-Y403 HydrophobicContact CD1-CE1 4.16Å; Y395-Y403 AromaticContact CD1-CE2 3.87Å; Y395-Y403 HydrophobicContact CD1-CE2 3.87Å; Y395-Y403 AromaticContact CD1-CG 3.42Å; Y395-Y403 HydrophobicContact CD1-CG 3.42Å; Y395-Y403 VanDerWaalsContact CD1-CG 3.42Å; Y395-Y403 AromaticContact CE1-CD1 3.94Å; Y395-Y403 HydrophobicContact CE1-CD1 3.94Å; Y395-Y403 HydrophobicContact CE1-CD2 4.39Å; Y395-Y403 HydrophobicContact CE1-CE1 4.46Å; Y395-Y403 AromaticContact CE1-CG 3.9Å; Y395-Y403 HydrophobicContact CE1-CG 3.9Å; Y395-Y403 HydrophobicContact CG-CD2 4.22Å; Y395-Y403 HydrophobicContact CG-CG 4.47Å; G398-Y403 WeakPolarHBondContact CA-OH 3.38Å; K400-Y403 HydrophobicContact CB-CE2 4.29Å; K400-Y403 WeakPolarHBondContact O-CE2 3.34Å; Y403-L405 PolarHBondContact O-N 2.96Å; Y403-L406 PolarHBondContact N-O 2.96Å; Y403-L406 WeakPolarHBondContact O-CB 3.41Å; Y403-L406 PolarHBondContact O-N 3.17Å
404	G	94.3	Very high	92.6	Very high	54 Å²	54	56.8 Å²	56.8	56%	0.557	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-123.3	-171.6	0	0	0	0	0	111.2	V378	V378-G404 WeakPolarHBondContact O-CA 3.46Å
405	L	95.1	Very high	92.3	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.241	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-19.8	172.2	-62	179.3	0	0	0	112.8	V291 V294 R295 I301 L377 Y403 R407	V291-L405 HydrophobicContact CG1-CD1 3.79Å; V294-L405 HydrophobicContact CB-CD1 4.21Å; V294-L405 HydrophobicContact CG1-CD1 3.82Å; V294-L405 HydrophobicContact CG1-CD2 4.11Å; R295-L405 HydrophobicContact CG-CD1 3.47Å; R295-L405 VanDerWaalsContact CG-CD1 3.47Å; R295-L405 HydrophobicContact CG-CD2 4.24Å; R295-L405 HydrophobicContact CG-CG 4Å; I301-L405 HydrophobicContact CD1-CB 3.95Å; L377-L405 WeakPolarHBondContact O-CA 3.19Å; L377-L405 WeakPolarHBondContact O-CB 3.35Å; L377-L405 PolarHBondContact O-N 3.21Å; Y403-L405 PolarHBondContact O-N 2.96Å; L405-R407 PolarHBondContact O-N 3.36Å
406	L	96.9	Very high	92	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	116.1	-178.7	-169.2	71.1	0	0	0	109.9	F320 I350 L377 V378 Y395 Y403	F320-L406 HydrophobicContact CB-CD1 3.97Å; F320-L406 HydrophobicContact CD1-CD1 3.56Å; F320-L406 HydrophobicContact CD1-CD2 4.17Å; F320-L406 HydrophobicContact CD1-CG 3.63Å; F320-L406 HydrophobicContact CD2-CD1 4.2Å; F320-L406 HydrophobicContact CE1-CD1 4.07Å; F320-L406 HydrophobicContact CE1-CD2 3.84Å; F320-L406 HydrophobicContact CE1-CG 3.81Å; F320-L406 HydrophobicContact CG-CD1 3.65Å; F320-L406 HydrophobicContact CG-CG 4.25Å; F320-L406 HydrophobicContact CZ-CD2 4.23Å; I350-L406 HydrophobicContact CD1-CD1 3.81Å; I350-L406 HydrophobicContact CD1-CD2 3.93Å; L377-L406 HydrophobicContact CB-CB 4.16Å; L377-L406 HydrophobicContact CB-CD1 4.32Å; L377-L406 HydrophobicContact CD1-CD1 3.99Å; L377-L406 PolarHBondContact O-N 2.98Å; V378-L406 HydrophobicContact CG2-CB 4.2Å; V378-L406 HydrophobicContact CG2-CD2 4.14Å; Y395-L406 HydrophobicContact CD2-CD2 3.78Å; Y395-L406 HydrophobicContact CE2-CD2 4.42Å; Y395-L406 HydrophobicContact CG-CD2 3.82Å; Y403-L406 PolarHBondContact N-O 2.96Å; Y403-L406 WeakPolarHBondContact O-CB 3.41Å; Y403-L406 PolarHBondContact O-N 3.17Å
407	R	97.4	Very high	91.3	Very high	137 Å²	137	61.5 Å²	61.5	52%	0.517	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.9	176.2	-174.1	-178.8	-55.7	159	7.6	110.4	F320 V321 G401 T402 L405	F320-R407 CarbonylContact C-O 3.59Å; F320-R407 VanDerWaalsContact CA-O 3.24Å; F320-R407 WeakPolarHBondContact CA-O 3.47Å; V321-R407 HydrophobicContact CB-CB 4.15Å; V321-R407 HydrophobicContact CG2-CB 3.9Å; V321-R407 HydrophobicContact CG2-CG 4.07Å; V321-R407 PolarHBondContact N-O 2.85Å; G401-R407 CarbonylContact O-C 3.56Å; G401-R407 WeakPolarHBondContact O-CA 3.01Å; G401-R407 WeakPolarHBondContact O-CG 3.32Å; T402-R407 PolarHBondContact OG1-NE 2.65Å; L405-R407 PolarHBondContact O-N 3.36Å
408	R	97.1	Very high	90.7	Very high	44 Å²	44	67.4 Å²	67.4	17%	0.166	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-67.7	135.7	173	-172.7	179.6	70.3	-152.3	-9.2	108.8	F320 M396 G398 G401	F320-R408 HydrophobicContact CD1-CB 4.44Å; F320-R408 HydrophobicContact CE1-CB 4.34Å; M396-R408 HydrophobicContact CE-CG 4.3Å; M396-R408 PolarHBondContact O-NH1 3.2Å; M396-R408 HydrophobicContact SD-CG 3.85Å; G398-R408 PolarHBondContact O-NH1 3.46Å; G398-R408 VanDerWaalsContact O-NH1 3.12Å; G401-R408 PolarHBondContact O-N 3.42Å
409	R	95.4	Very high	90.6	Very high	19 Å²	19	68 Å²	68	7%	0.072	34%	0.339	C	S	.	.			trans	-75.5	143.8	172.7	-67.2	-176.7	-179.5	-85.9	0.1	109.7	E302 E316 H317 L319 F320 V321 G322 W412 R415	E302-R409 IonicContact OE1-NH1 2.78Å; E302-R409 IonicContact OE1-NH2 3.51Å; E316-R409 IonicContact OE2-CZ 3.02Å; E316-R409 IonicContact OE2-NH1 3.9Å; E316-R409 PolarHBondContact OE2-NH1 2.92Å; E316-R409 IonicContact OE2-NH2 3.38Å; E316-R409 PolarHBondContact OE2-NH2 3.33Å; H317-R409 PolarHBondContact O-NE 3.17Å; L319-R409 PolarHBondContact O-N 3.18Å; L319-R409 VanDerWaalsContact O-N 3.09Å; F320-R409 PolarHBondContact O-NE 3.47Å; V321-R409 HydrophobicContact CG2-CG 4.07Å; G322-R409 PolarHBondContact O-NH2 3.43Å; R409-W412 HydrophobicContact CB-CB 4.11Å; R409-R415 VanDerWaalsContact CZ-NH1 3.33Å
410	E	92.4	Very high	90.5	Very high	150 Å²	150	59.7 Å²	59.7	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-34	176.9	-64.9	-59.5	144.2	0	0	111.5	W412	E410-W412 VanDerWaalsContact C-N 3.3Å; E410-W412 PolarHBondContact O-N 2.98Å
411	D	91.9	Very high	89.6	Confident	76 Å²	76	55.2 Å²	55.2	41%	0.406	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	14.1	177.8	67.2	-34.9	0	0	0	113.5	P413 S414 R415	D411-P413 VanDerWaalsContact C-N 3.31Å; D411-S414 PolarHBondContact O-N 3.09Å; D411-R415 PolarHBondContact O-N 3.43Å; D411-R415 IonicContact OD1-NE 2.68Å; D411-R415 VanDerWaalsContact OD2-CD 3.3Å; D411-R415 WeakPolarHBondContact OD2-CD 3.47Å; D411-R415 IonicContact OD2-CZ 3.84Å; D411-R415 IonicContact OD2-NE 3.31Å; D411-R415 PolarHBondContact OD2-NE 3.09Å
412	W	93	Very high	88.2	Confident	39 Å²	39	57.8 Å²	57.8	15%	0.148	30%	0.302	C	S	.	.	H	α-helix	trans	-52.5	-36.1	-179.9	81.3	-93.6	0	0	0	115	L319 M396 R409 E410 R415 L416 P436	L319-W412 HydrophobicContact CD2-CD2 4.27Å; L319-W412 HydrophobicContact CD2-CE3 3.51Å; L319-W412 HydrophobicContact CD2-CZ3 4.1Å; M396-W412 HydrophobicContact CE-CD2 3.59Å; M396-W412 HydrophobicContact CE-CE3 3.96Å; M396-W412 HydrophobicContact CE-CG 3.99Å; M396-W412 HydrophobicContact CE-CH2 4.27Å; M396-W412 HydrophobicContact CE-CZ2 3.97Å; M396-W412 HydrophobicContact CE-CZ3 4.28Å; R409-W412 HydrophobicContact CB-CB 4.11Å; E410-W412 VanDerWaalsContact C-N 3.3Å; E410-W412 PolarHBondContact O-N 2.98Å; W412-R415 PolarHBondContact O-N 3.41Å; W412-L416 HydrophobicContact CE3-CB 4.4Å; W412-L416 HydrophobicContact CE3-CD2 4.23Å; W412-L416 HydrophobicContact CZ3-CD2 3.83Å; W412-L416 VanDerWaalsContact O-CB 3.27Å; W412-L416 WeakPolarHBondContact O-CB 3.49Å; W412-L416 PolarHBondContact O-N 2.86Å; W412-P436 HydrophobicContact CH2-CB 3.5Å; W412-P436 HydrophobicContact CH2-CG 3.96Å; W412-P436 HydrophobicContact CZ2-CB 4.35Å; W412-P436 HydrophobicContact CZ3-CB 3.99Å; W412-P436 HydrophobicContact CZ3-CG 3.9Å
413	P	87.9	Confident	86.4	Confident	22 Å²	22	58.5 Å²	58.5	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-49.6	-179.7	-24.9	38.4	0	0	0	111.1	D411 Q417 P435	D411-P413 VanDerWaalsContact C-N 3.31Å; P413-Q417 WeakPolarHBondContact O-CB 3.47Å; P413-Q417 PolarHBondContact O-N 3.22Å; P413-Q417 VanDerWaalsContact O-N 3.11Å; P413-P435 HydrophobicContact CB-CB 3.85Å
414	S	84.9	Confident	84.2	Confident	69 Å²	69	63 Å²	63	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-39.1	179.3	-51.2	0	0	0	0	111.7	D411 Q417 M418	D411-S414 PolarHBondContact O-N 3.09Å; S414-Q417 WeakPolarHBondContact O-CB 3.32Å; S414-Q417 PolarHBondContact O-N 3.03Å; S414-M418 WeakPolarHBondContact O-CG 3.37Å; S414-M418 PolarHBondContact O-N 3.18Å
415	R	89.7	Confident	82.2	Confident	62 Å²	62	66.5 Å²	66.5	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-47.4	176.6	-76	-176.4	160.8	-124.7	-10	112.5	E316 R409 D411 W412 Q417 M418 F419	E316-R415 VanDerWaalsContact CD-NH2 3.3Å; E316-R415 IonicContact OE1-CZ 3.92Å; E316-R415 IonicContact OE1-NH1 3.59Å; E316-R415 PolarHBondContact OE1-NH1 2.85Å; E316-R415 IonicContact OE1-NH2 2.84Å; E316-R415 PolarHBondContact OE1-NH2 3.39Å; E316-R415 IonicContact OE2-CZ 3.69Å; E316-R415 IonicContact OE2-NH1 2.87Å; E316-R415 PolarHBondContact OE2-NH1 2.98Å; E316-R415 IonicContact OE2-NH2 3.56Å; E316-R415 PolarHBondContact OE2-NH2 3.41Å; R409-R415 VanDerWaalsContact CZ-NH1 3.33Å; D411-R415 PolarHBondContact O-N 3.43Å; D411-R415 IonicContact OD1-NE 2.68Å; D411-R415 VanDerWaalsContact OD2-CD 3.3Å; D411-R415 WeakPolarHBondContact OD2-CD 3.47Å; D411-R415 IonicContact OD2-CZ 3.84Å; D411-R415 IonicContact OD2-NE 3.31Å; D411-R415 PolarHBondContact OD2-NE 3.09Å; W412-R415 PolarHBondContact O-N 3.41Å; R415-Q417 PolarHBondContact O-N 3.44Å; R415-M418 PolarHBondContact O-N 3.31Å; R415-F419 WeakPolarHBondContact O-CB 3.33Å; R415-F419 PolarHBondContact O-N 2.83Å
416	L	89.3	Confident	80.1	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-41.8	177.7	-174.6	66.5	0	0	0	110.3	P318 L319 F332 W412 F419 F420	P318-L416 HydrophobicContact CB-CD1 4.26Å; P318-L416 HydrophobicContact CG-CD1 4.31Å; L319-L416 HydrophobicContact CD2-CB 4.45Å; L319-L416 HydrophobicContact CD2-CD1 4.1Å; L319-L416 HydrophobicContact CD2-CD2 4.2Å; F332-L416 HydrophobicContact CE1-CD1 3.62Å; F332-L416 HydrophobicContact CZ-CD1 3.8Å; W412-L416 HydrophobicContact CE3-CB 4.4Å; W412-L416 HydrophobicContact CE3-CD2 4.23Å; W412-L416 HydrophobicContact CZ3-CD2 3.83Å; W412-L416 VanDerWaalsContact O-CB 3.27Å; W412-L416 WeakPolarHBondContact O-CB 3.49Å; W412-L416 PolarHBondContact O-N 2.86Å; L416-F419 WeakPolarHBondContact O-CB 3.35Å; L416-F419 PolarHBondContact O-N 2.78Å; L416-F420 HydrophobicContact CD1-CD2 4.28Å; L416-F420 HydrophobicContact CD1-CE2 3.76Å; L416-F420 HydrophobicContact CG-CD2 4.38Å; L416-F420 HydrophobicContact CG-CE2 4.24Å; L416-F420 VanDerWaalsContact O-CD2 3.26Å; L416-F420 WeakPolarHBondContact O-CD2 3.4Å; L416-F420 PolarHBondContact O-N 2.89Å
417	Q	80.6	Confident	78.6	Confident	57 Å²	57	80.1 Å²	80.1	27%	0.266	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-51	177.1	-172.3	-165.3	-54.6	0	0	112.7	P413 S414 R415 F419 F420 A421 V433	P413-Q417 WeakPolarHBondContact O-CB 3.47Å; P413-Q417 PolarHBondContact O-N 3.22Å; P413-Q417 VanDerWaalsContact O-N 3.11Å; S414-Q417 WeakPolarHBondContact O-CB 3.32Å; S414-Q417 PolarHBondContact O-N 3.03Å; R415-Q417 PolarHBondContact O-N 3.44Å; Q417-F419 PolarHBondContact O-N 3.33Å; Q417-F420 PolarHBondContact O-N 2.86Å; Q417-F420 VanDerWaalsContact O-N 3.13Å; Q417-A421 WeakPolarHBondContact O-CB 3.42Å; Q417-A421 PolarHBondContact O-N 3.46Å; Q417-A421 VanDerWaalsContact O-N 3.08Å; Q417-V433 HydrophobicContact CG-CB 4Å; Q417-V433 HydrophobicContact CG-CG1 3.31Å; Q417-V433 HydrophobicContact CG-CG2 4.29Å
418	M	81.6	Confident	77.7	Confident	141 Å²	141	76.5 Å²	76.5	70%	0.695	38%	0.382	S	S	*	.	H	α-helix	trans	-60.2	-32.4	175.6	-70.6	-179.9	70.1	0	0	112	S414 R415 F420 A421	S414-M418 WeakPolarHBondContact O-CG 3.37Å; S414-M418 PolarHBondContact O-N 3.18Å; R415-M418 PolarHBondContact O-N 3.31Å; M418-F420 PolarHBondContact O-N 2.95Å; M418-A421 PolarHBondContact O-N 3.05Å
419	F	87	Confident	76.6	Confident	18 Å²	18	81.5 Å²	81.5	8%	0.079	41%	0.412	C	S	.	.	H	α-helix	trans	-60.3	-32.8	177.9	-158.5	-92.1	0	0	0	112.7	L315 P318 M324 K329 F332 L333 R415 L416 Q417	L315-F419 HydrophobicContact CD2-CE2 4.39Å; P318-F419 HydrophobicContact CB-CB 4.49Å; P318-F419 HydrophobicContact CB-CD2 4.18Å; P318-F419 HydrophobicContact CB-CG 4.42Å; P318-F419 HydrophobicContact CG-CD2 4.08Å; P318-F419 HydrophobicContact CG-CE2 4.24Å; P318-F419 HydrophobicContact CG-CG 4.31Å; M324-F419 HydrophobicContact CE-CZ 4.17Å; M324-F419 HydrophobicContact SD-CE2 3.83Å; M324-F419 HydrophobicContact SD-CZ 3.63Å; K329-F419 HydrophobicContact CB-CE1 4.5Å; K329-F419 HydrophobicContact CB-CZ 3.74Å; K329-F419 HydrophobicContact CD-CE2 4.24Å; K329-F419 HydrophobicContact CD-CZ 3.96Å; K329-F419 HydrophobicContact CG-CE1 3.93Å; K329-F419 HydrophobicContact CG-CE2 4.27Å; K329-F419 HydrophobicContact CG-CZ 3.51Å; F332-F419 HydrophobicContact CB-CE1 4.15Å; F332-F419 HydrophobicContact CB-CZ 4.47Å; F332-F419 AromaticContact CD1-CD1 3.91Å; F332-F419 HydrophobicContact CD1-CD1 3.91Å; F332-F419 AromaticContact CD1-CE1 3.54Å; F332-F419 HydrophobicContact CD1-CE1 3.54Å; F332-F419 HydrophobicContact CD1-CZ 4.29Å; F332-F419 HydrophobicContact CE1-CD1 4.28Å; F332-F419 HydrophobicContact CE1-CE1 4.29Å; F332-F419 HydrophobicContact CG-CE1 4.12Å; L333-F419 HydrophobicContact CD2-CD1 3.7Å; L333-F419 HydrophobicContact CD2-CE1 3.82Å; L333-F419 HydrophobicContact CG-CD1 4.43Å; L333-F419 HydrophobicContact CG-CE1 4.04Å; R415-F419 WeakPolarHBondContact O-CB 3.33Å; R415-F419 PolarHBondContact O-N 2.83Å; L416-F419 WeakPolarHBondContact O-CB 3.35Å; L416-F419 PolarHBondContact O-N 2.78Å; Q417-F419 PolarHBondContact O-N 3.33Å
420	F	83.3	Confident	75.3	Confident	14 Å²	14	85.9 Å²	85.9	6%	0.061	44%	0.443	C	S	.	.	H	α-helix	trans	-97.8	-9.9	178.2	-75.5	-76.2	0	0	0	114	F332 L333 A336 Y337 L416 Q417 M418 N422 R614	F332-F420 HydrophobicContact CD1-CE2 4.47Å; F332-F420 HydrophobicContact CD1-CZ 4.2Å; F332-F420 HydrophobicContact CE1-CE2 4.01Å; F332-F420 HydrophobicContact CE1-CZ 4.11Å; L333-F420 HydrophobicContact CB-CE1 4.45Å; L333-F420 HydrophobicContact CD2-CD1 3.51Å; L333-F420 HydrophobicContact CD2-CE1 3.5Å; L333-F420 VanDerWaalsContact CD2-CE1 3.5Å; L333-F420 HydrophobicContact CD2-CG 4.24Å; L333-F420 HydrophobicContact CD2-CZ 4.2Å; A336-F420 HydrophobicContact CB-CZ 4.24Å; Y337-F420 HydrophobicContact CD2-CE1 4.17Å; Y337-F420 HydrophobicContact CD2-CE2 4.32Å; Y337-F420 AromaticContact CD2-CZ 3.89Å; Y337-F420 HydrophobicContact CD2-CZ 3.89Å; Y337-F420 HydrophobicContact CE2-CD1 4.38Å; Y337-F420 AromaticContact CE2-CD2 3.92Å; Y337-F420 HydrophobicContact CE2-CD2 3.92Å; Y337-F420 AromaticContact CE2-CE1 3.94Å; Y337-F420 HydrophobicContact CE2-CE1 3.94Å; Y337-F420 AromaticContact CE2-CE2 3.45Å; Y337-F420 HydrophobicContact CE2-CE2 3.45Å; Y337-F420 VanDerWaalsContact CE2-CE2 3.45Å; Y337-F420 HydrophobicContact CE2-CG 4.39Å; Y337-F420 AromaticContact CE2-CZ 3.47Å; Y337-F420 HydrophobicContact CE2-CZ 3.47Å; Y337-F420 VanDerWaalsContact CE2-CZ 3.47Å; Y337-F420 AromaticContact CZ-CE2 3.85Å; L416-F420 HydrophobicContact CD1-CD2 4.28Å; L416-F420 HydrophobicContact CD1-CE2 3.76Å; L416-F420 HydrophobicContact CG-CD2 4.38Å; L416-F420 HydrophobicContact CG-CE2 4.24Å; L416-F420 VanDerWaalsContact O-CD2 3.26Å; L416-F420 WeakPolarHBondContact O-CD2 3.4Å; L416-F420 PolarHBondContact O-N 2.89Å; Q417-F420 PolarHBondContact O-N 2.86Å; Q417-F420 VanDerWaalsContact O-N 3.13Å; M418-F420 PolarHBondContact O-N 2.95Å; F420-N422 VanDerWaalsContact C-N 3.27Å; F420-N422 PolarHBondContact O-N 3.06Å; F420-R614 HydrophobicContact CD1-CB 4.13Å; F420-R614 HydrophobicContact CE1-CB 4.17Å
421	A	69	Low	74.3	Confident	60 Å²	60	81.6 Å²	81.6	50%	0.496	43%	0.428	S	S	.	.			trans	-84.4	61.6	-178.8	0	0	0	0	0	111.8	Q417 M418 N423	Q417-A421 WeakPolarHBondContact O-CB 3.42Å; Q417-A421 PolarHBondContact O-N 3.46Å; Q417-A421 VanDerWaalsContact O-N 3.08Å; M418-A421 PolarHBondContact O-N 3.05Å; A421-N423 PolarHBondContact O-N 3.33Å
422	N	58	Low	73.7	Confident	72 Å²	72	82.9 Å²	82.9	39%	0.385	43%	0.43	S	S	.	.			trans	-92.5	65.8	169.8	-88.5	2.7	0	0	0	110.1	F420 H424	F420-N422 VanDerWaalsContact C-N 3.27Å; F420-N422 PolarHBondContact O-N 3.06Å; N422-H424 PolarHBondContact O-N 3.34Å
423	N	55	Low	73.1	Confident	83 Å²	83	83.7 Å²	83.7	44%	0.444	44%	0.439	S	S	.	.			trans	-89.8	91.2	169.7	-76.6	-7.5	0	0	0	108.5	A421 D425 N613	A421-N423 PolarHBondContact O-N 3.33Å; N423-D425 VanDerWaalsContact C-N 3.25Å; N423-D425 PolarHBondContact O-N 3.5Å; N423-N613 PolarHBondContact OD1-ND2 3.12Å; N423-N613 PolarHBondContact OD1-OD1 2.68Å
424	H	47.8	Very low	73.2	Confident	154 Å²	154	83.3 Å²	83.3	71%	0.713	44%	0.435	S	S	*	.			trans	-78.2	-5.1	179.3	-74.9	-70	0	0	0	114	N422	N422-H424 PolarHBondContact O-N 3.34Å
425	D	52.3	Low	73.4	Confident	127 Å²	127	83.7 Å²	83.7	68%	0.679	44%	0.436	S	S	*	.			trans	-109.2	83.8	-179.8	-62.5	-28.3	0	0	0	110.5	N423 E427 N587	N423-D425 VanDerWaalsContact C-N 3.25Å; N423-D425 PolarHBondContact O-N 3.5Å; D425-E427 VanDerWaalsContact C-N 3.3Å; D425-E427 PolarHBondContact O-N 3.49Å; D425-N587 PolarHBondContact O-ND2 2.9Å
426	Q	52.3	Low	73.5	Confident	188 Å²	188	81.2 Å²	81.2	88%	0.879	43%	0.428	S	S	*	.			trans	-76	63.5	-177.2	-71.6	179.3	-13.4	0	0	113.2
427	E	65.6	Low	73.8	Confident	147 Å²	147	82.4 Å²	82.4	69%	0.687	44%	0.435	S	S	*	.	S	Bend	trans	-91.9	-22	167	-73.7	-169	173.8	0	0	113.3	D425	D425-E427 VanDerWaalsContact C-N 3.3Å; D425-E427 PolarHBondContact O-N 3.49Å
428	F	78.4	Confident	74.3	Confident	61 Å²	61	82.9 Å²	82.9	27%	0.268	44%	0.443	S	S	.	.	S	Bend	trans	-131.8	156.8	-175.8	-58.8	-78.4	0	0	0	111.3	R582 E585 N587	F428-R582 HydrophobicContact CZ-CG 4.37Å; F428-E585 HydrophobicContact CD1-CB 4.49Å; F428-N587 WeakPolarHBondContact CE2-OD1 3.41Å
429	D	72.5	Confident	74.9	Confident	148 Å²	148	76.4 Å²	76.4	79%	0.791	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-60.6	143.4	173.6	-72.7	-33.5	0	0	0	110.8
430	P	68.4	Low	75.1	Confident	111 Å²	111	80.7 Å²	80.7	72%	0.721	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-60.2	135.2	177.4	24	-32	0	0	0	110
431	P	72.1	Confident	75.7	Confident	60 Å²	60	87.1 Å²	87.1	39%	0.39	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-60.7	150.6	-176.7	24.3	-33.6	0	0	0	111.2	V433 N608	P431-V433 WeakPolarHBondContact O-CG2 3.41Å; P431-V433 PolarHBondContact O-N 3Å; P431-N608 HydrophobicContact CB-CB 4.15Å
432	K	80.1	Confident	77	Confident	104 Å²	104	85.3 Å²	85.3	45%	0.452	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-54.5	128.9	169	-178.8	177.6	-178.2	177.7	0	108.2	Y434 D558 D559	K432-Y434 HydrophobicContact CD-CE1 3.95Å; K432-Y434 HydrophobicContact CG-CE1 4.21Å; K432-D558 PolarHBondContact NZ-O 3.18Å; K432-D559 IonicContact NZ-OD1 2.83Å; K432-D559 PolarHBondContact NZ-OD1 3.08Å
433	V	80.4	Confident	78.9	Confident	55 Å²	55	89.3 Å²	89.3	33%	0.333	45%	0.454	S	S	.	.			trans	-117.8	150.4	179.5	-157	0	0	0	0	111.2	Q417 P431	Q417-V433 HydrophobicContact CG-CB 4Å; Q417-V433 HydrophobicContact CG-CG1 3.31Å; Q417-V433 HydrophobicContact CG-CG2 4.29Å; P431-V433 WeakPolarHBondContact O-CG2 3.41Å; P431-V433 PolarHBondContact O-N 3Å
434	Y	88.9	Confident	80.9	Confident	15 Å²	15	87.5 Å²	87.5	6%	0.059	45%	0.447	C	S	.	.			trans	-114.1	135.6	-172.6	-52.2	-82.4	0	0	0	109	K432 R560 P561 F562 F563 Y719	K432-Y434 HydrophobicContact CD-CE1 3.95Å; K432-Y434 HydrophobicContact CG-CE1 4.21Å; Y434-R560 VanDerWaalsContact CE1-O 3.3Å; Y434-R560 WeakPolarHBondContact CE1-O 3.42Å; Y434-P561 HydrophobicContact CG-CB 4.22Å; Y434-F562 WeakPolarHBondContact CE2-O 3.36Å; Y434-F563 HydrophobicContact CD2-CE1 4.02Å; Y434-F563 HydrophobicContact CD2-CZ 4.22Å; Y434-Y719 WeakPolarHBondContact O-CE1 3.32Å; Y434-Y719 PolarHBondContact O-OH 2.9Å; Y434-Y719 VanDerWaalsContact O-OH 3.12Å
435	P	89.7	Confident	83.3	Confident	76 Å²	76	80.1 Å²	80.1	49%	0.494	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.6	172.9	28.5	-33.4	0	0	0	110.1	P413 Y719	P413-P435 HydrophobicContact CB-CB 3.85Å; P435-Y719 WeakPolarHBondContact O-CE1 3.36Å
436	P	92.3	Very high	85.5	Confident	11 Å²	11	76.5 Å²	76.5	7%	0.071	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-46.5	139.6	167.6	-34.9	34.3	0	0	0	113.9	W412 E718	W412-P436 HydrophobicContact CH2-CB 3.5Å; W412-P436 HydrophobicContact CH2-CG 3.96Å; W412-P436 HydrophobicContact CZ2-CB 4.35Å; W412-P436 HydrophobicContact CZ3-CB 3.99Å; W412-P436 HydrophobicContact CZ3-CG 3.9Å; P436-E718 HydrophobicContact CB-CB 4.39Å
437	V	93.8	Very high	87.8	Confident	29 Å²	29	67.6 Å²	67.6	18%	0.176	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-87.9	132.3	-176.2	-177	0	0	0	0	109.4	K441 R442 P561 E718 Y719	V437-K441 HydrophobicContact CG1-CB 3.87Å; V437-R442 HydrophobicContact CB-CG 4.1Å; V437-R442 HydrophobicContact CG1-CG 4.05Å; V437-R442 PolarHBondContact O-NE 3.38Å; V437-R442 PolarHBondContact O-NH2 3.31Å; V437-P561 HydrophobicContact CG2-CG 3.91Å; V437-E718 PolarHBondContact N-O 3.22Å; V437-E718 VanDerWaalsContact N-O 3.09Å; V437-Y719 HydrophobicContact CG2-CD1 4.29Å
438	P	92.1	Very high	89.4	Confident	66 Å²	66	60.6 Å²	60.6	43%	0.429	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-54.2	140.8	173.2	-25.6	34.3	0	0	0	111.8	E440 K441 R442	P438-E440 PolarHBondContact O-N 2.66Å; P438-E440 VanDerWaalsContact O-N 3.13Å; P438-K441 HydrophobicContact CG-CD 4.37Å; P438-K441 PolarHBondContact O-N 3.23Å; P438-R442 PolarHBondContact O-N 3.25Å
439	A	92.9	Very high	90.3	Very high	5 Å²	5	57.8 Å²	57.8	4%	0.041	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.5	-38.5	-169.9	0	0	0	0	0	113.2	N363 N364 C365 K441 R442	N363-A439 WeakPolarHBondContact O-CB 3.32Å; N364-A439 WeakPolarHBondContact CB-O 3.41Å; N364-A439 PolarHBondContact ND2-O 3.24Å; C365-A439 HydrophobicContact CB-CB 3.97Å; A439-K441 PolarHBondContact O-N 3.38Å; A439-R442 PolarHBondContact O-N 3.47Å
440	E	92.4	Very high	91.6	Very high	108 Å²	108	50.8 Å²	50.8	51%	0.505	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-71.6	-20.2	-178.9	-45.2	79.2	-164.8	0	0	113.1	N362 P438	N362-E440 PolarHBondContact ND2-OE1 3Å; P438-E440 PolarHBondContact O-N 2.66Å; P438-E440 VanDerWaalsContact O-N 3.13Å
441	K	94.8	Very high	93	Very high	150 Å²	150	47 Å²	47	65%	0.652	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-98.5	-7.2	-178.2	-64.7	-175.3	-179.5	179.2	0	113.1	V437 P438 A439	V437-K441 HydrophobicContact CG1-CB 3.87Å; P438-K441 HydrophobicContact CG-CD 4.37Å; P438-K441 PolarHBondContact O-N 3.23Å; A439-K441 PolarHBondContact O-N 3.38Å
442	R	96.9	Very high	94.2	Very high	21 Å²	21	44.7 Å²	44.7	8%	0.079	22%	0.223	C	C	.	.			trans	-64.1	135.8	179.8	-68.9	179.7	-171.1	178.9	-6.9	110	N364 V437 P438 A439 K717 E718 F720 A721	N364-R442 HydrophobicContact CB-CB 4.11Å; N364-R442 PolarHBondContact O-NH1 3.37Å; V437-R442 HydrophobicContact CB-CG 4.1Å; V437-R442 HydrophobicContact CG1-CG 4.05Å; V437-R442 PolarHBondContact O-NE 3.38Å; V437-R442 PolarHBondContact O-NH2 3.31Å; P438-R442 PolarHBondContact O-N 3.25Å; A439-R442 PolarHBondContact O-N 3.47Å; R442-K717 PolarHBondContact NH1-O 2.53Å; R442-E718 IonicContact CZ-OE2 2.83Å; R442-E718 PolarHBondContact NE-O 3.12Å; R442-E718 PolarHBondContact NH2-O 3.32Å; R442-E718 IonicContact NH2-OE2 3.8Å; R442-E718 PolarHBondContact NH2-OE2 3.3Å; R442-F720 WeakPolarHBondContact CD-O 3.36Å; R442-A721 HydrophobicContact CB-CB 4.48Å
443	K	97.4	Very high	95.1	Very high	156 Å²	156	40.7 Å²	40.7	68%	0.678	21%	0.21	S	C	*	.	B	Isolated β-bridge	trans	-121.1	158.2	178.8	-66.2	-177	-178.3	179.7	0	110	F720 A721	K443-F720 WeakPolarHBondContact O-CA 3.27Å; K443-F720 WeakPolarHBondContact O-CB 3.4Å; K443-A721 VanDerWaalsContact C-CB 3.48Å; K443-A721 PolarHBondContact O-N 3.32Å
444	P	98.3	Very high	95.9	Very high	45 Å²	45	38.1 Å²	38.1	29%	0.292	20%	0.195	S	C	.	.			trans	-58.9	146	174.9	-23.4	34.4	0	0	0	111.8	Q467 D469 A721	P444-Q467 CarbonylContact C-O 3.54Å; P444-Q467 WeakPolarHBondContact CA-O 3.46Å; P444-Q467 HydrophobicContact CB-CB 3.8Å; P444-Q467 WeakPolarHBondContact CB-O 3.38Å; P444-Q467 HydrophobicContact CG-CB 4Å; P444-D469 HydrophobicContact CB-CB 3.96Å; P444-A721 HydrophobicContact CG-CB 4.34Å
445	I	98.6	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.2	-176.5	-161.7	173.2	0	0	0	111.4	V447 L461 I466 Q467 V468 D469 D513 L514 L716 F720	I445-V447 HydrophobicContact CD1-CG2 4.39Å; I445-V447 HydrophobicContact CG1-CG2 4.18Å; I445-V447 HydrophobicContact CG2-CG2 3.93Å; I445-L461 HydrophobicContact CD1-CD2 4.46Å; I445-L461 HydrophobicContact CG2-CD1 4.46Å; I445-L461 HydrophobicContact CG2-CD2 4.45Å; I445-I466 HydrophobicContact CB-CG2 4.21Å; I445-I466 HydrophobicContact CG2-CG2 3.74Å; I445-Q467 WeakPolarHBondContact CG2-O 3.04Å; I445-Q467 PolarHBondContact N-O 2.96Å; I445-V468 HydrophobicContact CG2-CB 4.35Å; I445-V468 HydrophobicContact CG2-CG1 4.47Å; I445-V468 HydrophobicContact CG2-CG2 3.9Å; I445-D469 PolarHBondContact O-N 2.77Å; I445-D513 HydrophobicContact CG1-CB 3.97Å; I445-L514 HydrophobicContact CD1-CB 3.81Å; I445-L514 HydrophobicContact CD1-CD2 3.88Å; I445-L514 HydrophobicContact CD1-CG 4.47Å; I445-L514 HydrophobicContact CG1-CB 4.26Å; I445-L716 HydrophobicContact CD1-CD1 4.21Å; I445-F720 HydrophobicContact CB-CB 4.16Å; I445-F720 HydrophobicContact CB-CD1 3.85Å; I445-F720 HydrophobicContact CB-CD2 4.27Å; I445-F720 HydrophobicContact CB-CE1 4.37Å; I445-F720 HydrophobicContact CB-CG 3.81Å; I445-F720 HydrophobicContact CD1-CD1 4.5Å; I445-F720 HydrophobicContact CD1-CD2 3.66Å; I445-F720 HydrophobicContact CD1-CE2 3.68Å; I445-F720 HydrophobicContact CD1-CG 4.1Å; I445-F720 HydrophobicContact CD1-CZ 4.14Å; I445-F720 HydrophobicContact CG1-CD1 3.9Å; I445-F720 HydrophobicContact CG1-CD2 3.97Å; I445-F720 HydrophobicContact CG1-CE1 3.93Å; I445-F720 HydrophobicContact CG1-CE2 4Å; I445-F720 HydrophobicContact CG1-CG 3.93Å; I445-F720 HydrophobicContact CG1-CZ 3.99Å
446	R	98.7	Very high	96.8	Very high	51 Å²	51	34 Å²	34	19%	0.192	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.8	173.1	-61.8	159.9	-62.3	175.1	4.2	109.8	D469 P511 D513 L514	R446-D469 HydrophobicContact CG-CB 3.87Å; R446-D469 WeakPolarHBondContact CG-OD2 2.87Å; R446-P511 WeakPolarHBondContact CD-O 3.29Å; R446-P511 PolarHBondContact NE-O 3.35Å; R446-P511 PolarHBondContact NH1-O 3.48Å; R446-D513 WeakPolarHBondContact CB-OD2 3.3Å; R446-D513 IonicContact CZ-OD1 2.89Å; R446-D513 IonicContact CZ-OD2 3.12Å; R446-D513 PolarHBondContact N-OD2 3.14Å; R446-D513 IonicContact NE-OD1 3.07Å; R446-D513 IonicContact NE-OD2 3.49Å; R446-D513 PolarHBondContact NE-OD2 3.44Å; R446-D513 IonicContact NH2-OD1 3.64Å; R446-D513 PolarHBondContact NH2-OD1 3.18Å; R446-D513 IonicContact NH2-OD2 3.79Å; R446-D513 PolarHBondContact NH2-OD2 3.22Å; R446-D513 PolarHBondContact O-N 3.05Å; R446-L514 PolarHBondContact O-N 3.41Å; R446-L514 VanDerWaalsContact O-N 3.13Å
447	V	98.9	Very high	97.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.6	-167.3	-170	0	0	0	0	111.4	I445 L461 R470 Y471 I472 L514 I516	I445-V447 HydrophobicContact CD1-CG2 4.39Å; I445-V447 HydrophobicContact CG1-CG2 4.18Å; I445-V447 HydrophobicContact CG2-CG2 3.93Å; V447-L461 HydrophobicContact CG2-CD1 3.74Å; V447-R470 PolarHBondContact N-O 3.14Å; V447-Y471 HydrophobicContact CB-CD2 3.63Å; V447-Y471 HydrophobicContact CB-CE2 3.92Å; V447-Y471 HydrophobicContact CB-CG 4.45Å; V447-Y471 HydrophobicContact CG1-CD2 3.89Å; V447-Y471 HydrophobicContact CG1-CE2 3.62Å; V447-Y471 HydrophobicContact CG2-CD2 4.07Å; V447-Y471 HydrophobicContact CG2-CE2 4.4Å; V447-I472 PolarHBondContact O-N 3.35Å; V447-L514 WeakPolarHBondContact CA-O 3.43Å; V447-L514 HydrophobicContact CG1-CB 4.39Å; V447-L514 HydrophobicContact CG1-CD2 4.13Å; V447-L514 HydrophobicContact CG1-CG 4.19Å; V447-L514 HydrophobicContact CG2-CB 4.3Å; V447-L514 HydrophobicContact CG2-CD2 4.22Å; V447-I516 HydrophobicContact CG1-CD1 4.15Å; V447-I516 HydrophobicContact CG1-CG1 4.33Å
448	L	98.8	Very high	97.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.7	164.6	179.7	64.4	0	0	0	108.5	L450 I472 I506 F512 L514 V515 I516	L448-L450 HydrophobicContact CD1-CD2 3.98Å; L448-L450 HydrophobicContact CD2-CD2 4.3Å; L448-L450 HydrophobicContact CG-CD2 3.93Å; L448-L450 HydrophobicContact CG-CG 4.29Å; L448-I472 WeakPolarHBondContact CA-O 3.47Å; L448-I472 HydrophobicContact CD1-CB 4.32Å; L448-I472 HydrophobicContact CD1-CG2 4.2Å; L448-I506 HydrophobicContact CD1-CD1 4.48Å; L448-I506 HydrophobicContact CD2-CD1 3.65Å; L448-F512 HydrophobicContact CB-CD1 3.75Å; L448-F512 HydrophobicContact CB-CD2 4.23Å; L448-F512 HydrophobicContact CB-CE1 3.87Å; L448-F512 HydrophobicContact CB-CE2 4.35Å; L448-F512 HydrophobicContact CB-CG 3.92Å; L448-F512 HydrophobicContact CB-CZ 4.15Å; L448-F512 HydrophobicContact CD1-CE1 4.43Å; L448-F512 HydrophobicContact CD1-CZ 4.12Å; L448-F512 HydrophobicContact CD2-CD2 4.37Å; L448-F512 HydrophobicContact CD2-CE2 4.28Å; L448-L514 PolarHBondContact N-O 3.38Å; L448-V515 HydrophobicContact CB-CG2 4.29Å; L448-V515 HydrophobicContact CD2-CG1 4.29Å; L448-V515 HydrophobicContact CD2-CG2 4.41Å; L448-V515 CarbonylContact O-C 3.49Å; L448-V515 WeakPolarHBondContact O-CA 3.33Å; L448-I516 PolarHBondContact O-N 2.77Å
449	S	98.8	Very high	97.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.2	178.8	-169.7	0	0	0	0	110.1	D452 Y471 I472 A473 S474	S449-D452 WeakPolarHBondContact CB-OD1 3.44Å; S449-D452 PolarHBondContact OG-OD1 3.46Å; S449-Y471 WeakPolarHBondContact CB-OH 3.49Å; S449-Y471 PolarHBondContact OG-OH 3.36Å; S449-I472 PolarHBondContact N-O 3.06Å; S449-A473 CarbonylContact O-C 3.6Å; S449-A473 VanDerWaalsContact O-CA 3.25Å; S449-A473 WeakPolarHBondContact O-CA 3.46Å; S449-S474 PolarHBondContact O-N 2.74Å
450	L	98.6	Very high	97.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.1	-179.5	-55	179.9	0	0	0	109.1	L448 D452 V498 I516 G517 F545 L548	L448-L450 HydrophobicContact CD1-CD2 3.98Å; L448-L450 HydrophobicContact CD2-CD2 4.3Å; L448-L450 HydrophobicContact CG-CD2 3.93Å; L448-L450 HydrophobicContact CG-CG 4.29Å; L450-D452 VanDerWaalsContact C-N 3.35Å; L450-V498 HydrophobicContact CD1-CG2 4.45Å; L450-V498 HydrophobicContact CD2-CG2 4.09Å; L450-I516 PolarHBondContact N-O 2.95Å; L450-G517 WeakPolarHBondContact O-CA 3.32Å; L450-F545 HydrophobicContact CB-CD2 4.39Å; L450-F545 HydrophobicContact CD1-CB 4.45Å; L450-F545 HydrophobicContact CD1-CD2 3.87Å; L450-L548 HydrophobicContact CD1-CB 3.89Å; L450-L548 HydrophobicContact CD1-CD1 3.85Å; L450-L548 HydrophobicContact CD1-CG 4.47Å; L450-L548 HydrophobicContact CD2-CD1 3.85Å
451	F	98.3	Very high	98.2	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.145	12%	0.116	C	C	.	.	S	Bend	trans	59.5	49.1	-171.9	-37.4	-75.4	0	0	0	110.7	G453 S474 V498 G518 L541 F545	F451-G453 PolarHBondContact O-N 3.43Å; F451-G453 VanDerWaalsContact O-N 3.13Å; F451-S474 WeakPolarHBondContact CA-O 3.05Å; F451-S474 PolarHBondContact N-O 3.35Å; F451-V498 HydrophobicContact CE1-CB 4.2Å; F451-V498 HydrophobicContact CE1-CG1 3.61Å; F451-V498 HydrophobicContact CZ-CB 4.31Å; F451-V498 HydrophobicContact CZ-CG1 3.78Å; F451-V498 HydrophobicContact CZ-CG2 4.27Å; F451-G518 WeakPolarHBondContact CB-O 3.3Å; F451-L541 HydrophobicContact CE1-CB 3.84Å; F451-L541 HydrophobicContact CE1-CD1 4.09Å; F451-L541 HydrophobicContact CE1-CD2 4.43Å; F451-L541 HydrophobicContact CE1-CG 4.35Å; F451-L541 HydrophobicContact CZ-CB 3.78Å; F451-L541 WeakPolarHBondContact CZ-O 3.48Å; F451-F545 HydrophobicContact CE2-CB 4.23Å
452	D	98.1	Very high	98.3	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.059	10%	0.1	C	C	.	.			trans	-59.8	-27.1	-167.3	-173.8	53.7	0	0	0	113.9	S449 L450 I454 A455 Y471 A473 S474 E475	S449-D452 WeakPolarHBondContact CB-OD1 3.44Å; S449-D452 PolarHBondContact OG-OD1 3.46Å; L450-D452 VanDerWaalsContact C-N 3.35Å; D452-I454 PolarHBondContact O-N 2.81Å; D452-A455 PolarHBondContact O-N 3.5Å; D452-A455 WeakPolarHBondContact OD2-CA 3.37Å; D452-Y471 WeakPolarHBondContact OD1-CE1 3.1Å; D452-Y471 PolarHBondContact OD1-OH 3.33Å; D452-A473 HydrophobicContact CB-CB 3.8Å; D452-S474 PolarHBondContact N-O 3.16Å; D452-E475 PolarHBondContact N-OE2 2.91Å
453	G	97.3	Very high	98.3	Very high	19 Å²	19	22.5 Å²	22.5	20%	0.196	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-127.6	-174.4	0	0	0	0	0	110.5	F451 A455 E475 S480	F451-G453 PolarHBondContact O-N 3.43Å; F451-G453 VanDerWaalsContact O-N 3.13Å; G453-A455 PolarHBondContact O-N 3.07Å; G453-E475 WeakPolarHBondContact CA-OE2 3.49Å; G453-E475 PolarHBondContact N-OE2 3.2Å; G453-S480 WeakPolarHBondContact O-CB 3.38Å
454	I	98.1	Very high	98.2	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	33.4	-177	60.9	171.6	0	0	0	113.4	D452 T456 V483 F681 Y685 T686 L699 L700	D452-I454 PolarHBondContact O-N 2.81Å; I454-T456 VanDerWaalsContact C-N 3.33Å; I454-T456 PolarHBondContact O-N 2.84Å; I454-V483 HydrophobicContact CB-CB 4.34Å; I454-V483 HydrophobicContact CB-CG1 3.91Å; I454-V483 HydrophobicContact CG2-CB 4.12Å; I454-V483 HydrophobicContact CG2-CG1 4.13Å; I454-V483 HydrophobicContact CG2-CG2 4.18Å; I454-F681 HydrophobicContact CD1-CD1 4.47Å; I454-F681 HydrophobicContact CD1-CE1 3.81Å; I454-F681 HydrophobicContact CD1-CE2 4.08Å; I454-F681 HydrophobicContact CD1-CZ 3.6Å; I454-F681 HydrophobicContact CG1-CE1 4.25Å; I454-F681 HydrophobicContact CG1-CZ 4.11Å; I454-Y685 HydrophobicContact CB-CE1 4.18Å; I454-Y685 HydrophobicContact CD1-CD1 4.31Å; I454-Y685 HydrophobicContact CD1-CE1 4.13Å; I454-Y685 HydrophobicContact CG1-CE1 4.29Å; I454-Y685 VanDerWaalsContact O-CE1 3.3Å; I454-Y685 WeakPolarHBondContact O-CE1 3.35Å; I454-Y685 PolarHBondContact O-OH 2.9Å; I454-T686 HydrophobicContact CD1-CG2 3.98Å; I454-L699 HydrophobicContact CG2-CB 3.84Å; I454-L699 HydrophobicContact CG2-CD1 4.04Å; I454-L699 HydrophobicContact CG2-CD2 4.07Å; I454-L699 HydrophobicContact CG2-CG 4.21Å; I454-L700 HydrophobicContact CD1-CD2 4.34Å
455	A	98.3	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	36.2	175	0	0	0	0	0	115.2	D452 G453 G457 L458 L459 I492	D452-A455 PolarHBondContact O-N 3.5Å; D452-A455 WeakPolarHBondContact OD2-CA 3.37Å; G453-A455 PolarHBondContact O-N 3.07Å; A455-G457 VanDerWaalsContact C-N 3.27Å; A455-G457 PolarHBondContact O-N 3.49Å; A455-L458 PolarHBondContact O-N 3.23Å; A455-L459 PolarHBondContact O-N 3.06Å; A455-L459 VanDerWaalsContact O-N 3.11Å; A455-I492 HydrophobicContact CB-CD1 3.56Å
456	T	98.7	Very high	98.2	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-35.7	-177.3	-46.7	0	0	0	0	112.4	I454 L459 V460 F681 W704 V706	I454-T456 VanDerWaalsContact C-N 3.33Å; I454-T456 PolarHBondContact O-N 2.84Å; T456-L459 PolarHBondContact O-N 3.37Å; T456-V460 WeakPolarHBondContact O-CG2 3.49Å; T456-V460 PolarHBondContact O-N 3.42Å; T456-F681 HydrophobicContact CG2-CE1 4.03Å; T456-F681 HydrophobicContact CG2-CZ 3.79Å; T456-F681 WeakPolarHBondContact OG1-CZ 3.37Å; T456-W704 HydrophobicContact CG2-CB 4.12Å; T456-V706 HydrophobicContact CG2-CG2 4.06Å
457	G	98.6	Very high	98.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-62	-44.4	177.5	0	0	0	0	0	112.5	A455 V460 L461	A455-G457 VanDerWaalsContact C-N 3.27Å; A455-G457 PolarHBondContact O-N 3.49Å; G457-V460 PolarHBondContact O-N 2.88Å; G457-L461 VanDerWaalsContact O-CG 3.3Å; G457-L461 WeakPolarHBondContact O-CG 3.49Å; G457-L461 PolarHBondContact O-N 3.44Å
458	L	98.6	Very high	98.1	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-69.8	-36.3	178.2	-175.4	55.7	0	0	0	112.5	A455 K462 V468 Y471 H488 I492	A455-L458 PolarHBondContact O-N 3.23Å; L458-K462 HydrophobicContact CD1-CG 4.47Å; L458-K462 WeakPolarHBondContact O-CG 3.39Å; L458-K462 PolarHBondContact O-N 3.24Å; L458-K462 VanDerWaalsContact O-N 3.1Å; L458-V468 HydrophobicContact CD1-CB 4.34Å; L458-V468 HydrophobicContact CD1-CG1 4.21Å; L458-V468 HydrophobicContact CD1-CG2 3.97Å; L458-Y471 HydrophobicContact CB-CD1 4.32Å; L458-Y471 HydrophobicContact CB-CD2 3.9Å; L458-Y471 HydrophobicContact CB-CE1 4.07Å; L458-Y471 HydrophobicContact CB-CE2 3.66Å; L458-Y471 HydrophobicContact CB-CG 4.23Å; L458-Y471 HydrophobicContact CD1-CD2 3.82Å; L458-Y471 HydrophobicContact CD1-CE2 4.35Å; L458-Y471 HydrophobicContact CD1-CG 4.17Å; L458-Y471 HydrophobicContact CD2-CD1 4.28Å; L458-Y471 HydrophobicContact CD2-CD2 4.48Å; L458-Y471 HydrophobicContact CD2-CG 4.12Å; L458-Y471 HydrophobicContact CG-CD2 4.27Å; L458-Y471 HydrophobicContact CG-CG 4.4Å; L458-Y471 PolarHBondContact N-OH 2.98Å; L458-H488 HydrophobicContact CD2-CB 3.69Å; L458-H488 WeakPolarHBondContact CD2-ND1 3.49Å; L458-H488 WeakPolarHBondContact CG-ND1 2.93Å; L458-I492 HydrophobicContact CD2-CD1 3.92Å; L458-I492 HydrophobicContact CD2-CG1 3.49Å; L458-I492 VanDerWaalsContact CD2-CG1 3.49Å
459	L	98.6	Very high	98.1	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.063	12%	0.119	C	C	.	.	H	α-helix	trans	-55.9	-52.8	172.5	171.9	63.7	0	0	0	110.5	A455 T456 L461 K462 D463 H488 F681 P682 Y685 V706	A455-L459 PolarHBondContact O-N 3.06Å; A455-L459 VanDerWaalsContact O-N 3.11Å; T456-L459 PolarHBondContact O-N 3.37Å; L459-L461 PolarHBondContact O-N 3.03Å; L459-K462 WeakPolarHBondContact O-CB 3.46Å; L459-K462 PolarHBondContact O-N 3.04Å; L459-D463 PolarHBondContact O-N 3.25Å; L459-H488 PolarHBondContact N-CE1 3.2Å; L459-F681 HydrophobicContact CD2-CD1 3.56Å; L459-F681 HydrophobicContact CD2-CE1 3.8Å; L459-P682 HydrophobicContact CD1-CG 4.2Å; L459-Y685 HydrophobicContact CB-CE2 4.49Å; L459-Y685 HydrophobicContact CD1-CE2 4.18Å; L459-Y685 HydrophobicContact CD2-CD2 4.3Å; L459-Y685 HydrophobicContact CD2-CE2 3.91Å; L459-Y685 HydrophobicContact CG-CE2 4.43Å; L459-V706 HydrophobicContact CD2-CG2 4.06Å
460	V	98.4	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-38.5	-177.3	170.9	0	0	0	0	112.6	T456 G457 K462 D463 L464 V706 I709 R710 F713	T456-V460 WeakPolarHBondContact O-CG2 3.49Å; T456-V460 PolarHBondContact O-N 3.42Å; G457-V460 PolarHBondContact O-N 2.88Å; V460-K462 VanDerWaalsContact C-N 3.29Å; V460-K462 PolarHBondContact O-N 3.39Å; V460-D463 PolarHBondContact O-N 3.29Å; V460-L464 HydrophobicContact CG1-CD1 3.83Å; V460-L464 HydrophobicContact CG1-CG 4.3Å; V460-L464 WeakPolarHBondContact O-CB 2.79Å; V460-L464 WeakPolarHBondContact O-CG 2.79Å; V460-L464 PolarHBondContact O-N 2.7Å; V460-V706 HydrophobicContact CG2-CG1 3.9Å; V460-I709 HydrophobicContact CB-CG2 4.09Å; V460-I709 HydrophobicContact CG1-CG2 4.08Å; V460-I709 HydrophobicContact CG2-CB 4.07Å; V460-I709 HydrophobicContact CG2-CG2 3.96Å; V460-R710 VanDerWaalsContact CG1-CA 3.43Å; V460-R710 HydrophobicContact CG1-CB 4.02Å; V460-F713 HydrophobicContact CB-CD2 4.36Å; V460-F713 HydrophobicContact CG1-CB 4.17Å; V460-F713 HydrophobicContact CG1-CD2 3.92Å; V460-F713 HydrophobicContact CG1-CG 4.4Å
461	L	98.5	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-39.9	175.5	-72.5	167.7	0	0	0	111.7	I445 V447 G457 L459 G465 I466 V468 Y471 F713	I445-L461 HydrophobicContact CD1-CD2 4.46Å; I445-L461 HydrophobicContact CG2-CD1 4.46Å; I445-L461 HydrophobicContact CG2-CD2 4.45Å; V447-L461 HydrophobicContact CG2-CD1 3.74Å; G457-L461 VanDerWaalsContact O-CG 3.3Å; G457-L461 WeakPolarHBondContact O-CG 3.49Å; G457-L461 PolarHBondContact O-N 3.44Å; L459-L461 PolarHBondContact O-N 3.03Å; L461-G465 PolarHBondContact O-N 3.04Å; L461-I466 HydrophobicContact CD2-CB 4.26Å; L461-I466 HydrophobicContact CD2-CD1 3.89Å; L461-I466 HydrophobicContact CD2-CG2 4.27Å; L461-I466 PolarHBondContact O-N 3.13Å; L461-V468 HydrophobicContact CB-CG2 3.93Å; L461-V468 HydrophobicContact CD1-CG2 4.11Å; L461-Y471 HydrophobicContact CD1-CD2 4.46Å; L461-Y471 HydrophobicContact CD1-CE2 4.21Å; L461-F713 HydrophobicContact CD2-CD2 3.98Å; L461-F713 HydrophobicContact CG-CD2 4.05Å; L461-F713 HydrophobicContact CG-CE2 4.28Å
462	K	97.4	Very high	98	Very high	73 Å²	73	25 Å²	25	32%	0.317	13%	0.13	S	C	.	.	H	α-helix	trans	-66.4	-45.6	174.1	-75	179.6	173.3	-173.9	0	111.9	L458 L459 V460 L464 G465 H488	L458-K462 HydrophobicContact CD1-CG 4.47Å; L458-K462 WeakPolarHBondContact O-CG 3.39Å; L458-K462 PolarHBondContact O-N 3.24Å; L458-K462 VanDerWaalsContact O-N 3.1Å; L459-K462 WeakPolarHBondContact O-CB 3.46Å; L459-K462 PolarHBondContact O-N 3.04Å; V460-K462 VanDerWaalsContact C-N 3.29Å; V460-K462 PolarHBondContact O-N 3.39Å; K462-L464 VanDerWaalsContact C-N 3.26Å; K462-L464 PolarHBondContact O-N 3.02Å; K462-G465 WeakPolarHBondContact O-CA 3.11Å; K462-G465 PolarHBondContact O-N 2.83Å; K462-H488 PolarHBondContact NZ-ND1 3.21Å
463	D	96.3	Very high	98.1	Very high	58 Å²	58	24.4 Å²	24.4	31%	0.31	13%	0.128	S	C	.	.	H	α-helix	trans	-60.3	-36.2	178.5	-80.8	11	0	0	0	112.5	L459 V460 G465 R710	L459-D463 PolarHBondContact O-N 3.25Å; V460-D463 PolarHBondContact O-N 3.29Å; D463-G465 PolarHBondContact O-N 2.82Å; D463-R710 VanDerWaalsContact CB-NH2 3.34Å; D463-R710 IonicContact OD2-CZ 3.68Å; D463-R710 IonicContact OD2-NH2 2.67Å; D463-R710 PolarHBondContact OD2-NH2 3.28Å
464	L	97	Very high	98.1	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.3	174.1	-73.3	171.7	0	0	0	112.8	V460 K462 I466 R710 F713 A714 K717	V460-L464 HydrophobicContact CG1-CD1 3.83Å; V460-L464 HydrophobicContact CG1-CG 4.3Å; V460-L464 WeakPolarHBondContact O-CB 2.79Å; V460-L464 WeakPolarHBondContact O-CG 2.79Å; V460-L464 PolarHBondContact O-N 2.7Å; K462-L464 VanDerWaalsContact C-N 3.26Å; K462-L464 PolarHBondContact O-N 3.02Å; L464-I466 HydrophobicContact CB-CD1 4.12Å; L464-I466 HydrophobicContact CB-CG1 4.17Å; L464-I466 HydrophobicContact CD1-CD1 4.25Å; L464-I466 PolarHBondContact O-N 3.33Å; L464-R710 HydrophobicContact CD2-CG 3.85Å; L464-R710 HydrophobicContact CG-CG 4.23Å; L464-F713 HydrophobicContact CD1-CB 3.62Å; L464-A714 HydrophobicContact CD2-CB 4.14Å; L464-K717 HydrophobicContact CB-CD 4.3Å; L464-K717 HydrophobicContact CD2-CD 4.46Å; L464-K717 VanDerWaalsContact O-CD 3.32Å; L464-K717 WeakPolarHBondContact O-CD 3.36Å; L464-K717 WeakPolarHBondContact O-CE 3.41Å
465	G	97.3	Very high	98.1	Very high	18 Å²	18	24.7 Å²	24.7	19%	0.186	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	24	-176.6	0	0	0	0	0	113.7	L461 K462 D463 C722 V723	L461-G465 PolarHBondContact O-N 3.04Å; K462-G465 WeakPolarHBondContact O-CA 3.11Å; K462-G465 PolarHBondContact O-N 2.83Å; D463-G465 PolarHBondContact O-N 2.82Å; G465-C722 CarbonylContact O-C 3.42Å; G465-C722 WeakPolarHBondContact O-CA 3.23Å; G465-V723 PolarHBondContact O-N 3.02Å
466	I	98.4	Very high	98.1	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-80.4	126.1	175.2	-64.5	167.7	0	0	0	108.4	I445 L461 L464 V468 L716 K717 F720	I445-I466 HydrophobicContact CB-CG2 4.21Å; I445-I466 HydrophobicContact CG2-CG2 3.74Å; L461-I466 HydrophobicContact CD2-CB 4.26Å; L461-I466 HydrophobicContact CD2-CD1 3.89Å; L461-I466 HydrophobicContact CD2-CG2 4.27Å; L461-I466 PolarHBondContact O-N 3.13Å; L464-I466 HydrophobicContact CB-CD1 4.12Å; L464-I466 HydrophobicContact CB-CG1 4.17Å; L464-I466 HydrophobicContact CD1-CD1 4.25Å; L464-I466 PolarHBondContact O-N 3.33Å; I466-V468 PolarHBondContact O-N 2.8Å; I466-L716 HydrophobicContact CD1-CB 3.88Å; I466-K717 HydrophobicContact CD1-CG 3.84Å; I466-K717 HydrophobicContact CG1-CG 3.64Å; I466-F720 HydrophobicContact CG2-CB 4.09Å
467	Q	98.2	Very high	98	Very high	71 Å²	71	30.2 Å²	30.2	33%	0.332	16%	0.159	S	C	.	.			trans	-68.9	127.7	175.9	-62.8	-168.7	25.3	0	0	110	P444 I445 A721 C722 V723	P444-Q467 CarbonylContact C-O 3.54Å; P444-Q467 WeakPolarHBondContact CA-O 3.46Å; P444-Q467 HydrophobicContact CB-CB 3.8Å; P444-Q467 WeakPolarHBondContact CB-O 3.38Å; P444-Q467 HydrophobicContact CG-CB 4Å; I445-Q467 WeakPolarHBondContact CG2-O 3.04Å; I445-Q467 PolarHBondContact N-O 2.96Å; Q467-A721 HydrophobicContact CB-CB 4.19Å; Q467-A721 HydrophobicContact CG-CB 4.28Å; Q467-A721 PolarHBondContact N-O 2.95Å; Q467-C722 PolarHBondContact NE2-O 3.3Å; Q467-V723 HydrophobicContact CG-CG2 3.74Å
468	V	98.3	Very high	97.9	Very high	44 Å²	44	36.5 Å²	36.5	27%	0.267	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.6	178.8	-176.4	0	0	0	0	109.2	I445 L458 L461 I466 Y471	I445-V468 HydrophobicContact CG2-CB 4.35Å; I445-V468 HydrophobicContact CG2-CG1 4.47Å; I445-V468 HydrophobicContact CG2-CG2 3.9Å; L458-V468 HydrophobicContact CD1-CB 4.34Å; L458-V468 HydrophobicContact CD1-CG1 4.21Å; L458-V468 HydrophobicContact CD1-CG2 3.97Å; L461-V468 HydrophobicContact CB-CG2 3.93Å; L461-V468 HydrophobicContact CD1-CG2 4.11Å; I466-V468 PolarHBondContact O-N 2.8Å; V468-Y471 HydrophobicContact CG1-CD2 4.4Å
469	D	97.9	Very high	97.8	Very high	91 Å²	91	38.9 Å²	38.9	49%	0.487	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-55.2	173.2	174	36.4	0	0	0	110	P444 I445 R446	P444-D469 HydrophobicContact CB-CB 3.96Å; I445-D469 PolarHBondContact O-N 2.77Å; R446-D469 HydrophobicContact CG-CB 3.87Å; R446-D469 WeakPolarHBondContact CG-OD2 2.87Å
470	R	97.3	Very high	97.8	Very high	96 Å²	96	38.5 Å²	38.5	36%	0.362	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.2	-177.8	-81.3	-175.1	-89.4	-178.1	-3.4	111.2	V447 W509	V447-R470 PolarHBondContact N-O 3.14Å; R470-W509 PolarHBondContact NH1-O 2.84Å
471	Y	98.7	Very high	97.8	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	103.8	173.5	-161.9	-84.3	0	0	0	109	V447 S449 D452 L458 L461 V468 A473 I492 M493	V447-Y471 HydrophobicContact CB-CD2 3.63Å; V447-Y471 HydrophobicContact CB-CE2 3.92Å; V447-Y471 HydrophobicContact CB-CG 4.45Å; V447-Y471 HydrophobicContact CG1-CD2 3.89Å; V447-Y471 HydrophobicContact CG1-CE2 3.62Å; V447-Y471 HydrophobicContact CG2-CD2 4.07Å; V447-Y471 HydrophobicContact CG2-CE2 4.4Å; S449-Y471 WeakPolarHBondContact CB-OH 3.49Å; S449-Y471 PolarHBondContact OG-OH 3.36Å; D452-Y471 WeakPolarHBondContact OD1-CE1 3.1Å; D452-Y471 PolarHBondContact OD1-OH 3.33Å; L458-Y471 HydrophobicContact CB-CD1 4.32Å; L458-Y471 HydrophobicContact CB-CD2 3.9Å; L458-Y471 HydrophobicContact CB-CE1 4.07Å; L458-Y471 HydrophobicContact CB-CE2 3.66Å; L458-Y471 HydrophobicContact CB-CG 4.23Å; L458-Y471 HydrophobicContact CD1-CD2 3.82Å; L458-Y471 HydrophobicContact CD1-CE2 4.35Å; L458-Y471 HydrophobicContact CD1-CG 4.17Å; L458-Y471 HydrophobicContact CD2-CD1 4.28Å; L458-Y471 HydrophobicContact CD2-CD2 4.48Å; L458-Y471 HydrophobicContact CD2-CG 4.12Å; L458-Y471 HydrophobicContact CG-CD2 4.27Å; L458-Y471 HydrophobicContact CG-CG 4.4Å; L458-Y471 PolarHBondContact N-OH 2.98Å; L461-Y471 HydrophobicContact CD1-CD2 4.46Å; L461-Y471 HydrophobicContact CD1-CE2 4.21Å; V468-Y471 HydrophobicContact CG1-CD2 4.4Å; Y471-A473 HydrophobicContact CD1-CB 4.45Å; Y471-A473 HydrophobicContact CE1-CB 4.28Å; Y471-I492 HydrophobicContact CD1-CB 4.47Å; Y471-I492 HydrophobicContact CD1-CG1 3.97Å; Y471-I492 HydrophobicContact CD1-CG2 4.01Å; Y471-M493 PolarHBondContact O-N 2.73Å
472	I	98.7	Very high	97.7	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	-178.2	-58.2	-174.9	0	0	0	107.9	V447 L448 S449 M493 V495 W509 F512	V447-I472 PolarHBondContact O-N 3.35Å; L448-I472 WeakPolarHBondContact CA-O 3.47Å; L448-I472 HydrophobicContact CD1-CB 4.32Å; L448-I472 HydrophobicContact CD1-CG2 4.2Å; S449-I472 PolarHBondContact N-O 3.06Å; I472-M493 WeakPolarHBondContact CA-O 3.12Å; I472-M493 HydrophobicContact CD1-SD 3.97Å; I472-M493 HydrophobicContact CG1-CB 4.15Å; I472-M493 HydrophobicContact CG1-SD 4.18Å; I472-V495 HydrophobicContact CG2-CG1 3.61Å; I472-V495 HydrophobicContact CG2-CG2 4.47Å; I472-W509 HydrophobicContact CD1-CB 3.51Å; I472-W509 HydrophobicContact CD1-CD2 4.25Å; I472-W509 HydrophobicContact CD1-CE3 4.48Å; I472-W509 HydrophobicContact CD1-CG 3.84Å; I472-W509 HydrophobicContact CG2-CD2 4.45Å; I472-W509 HydrophobicContact CG2-CE3 3.95Å; I472-W509 HydrophobicContact CG2-CZ3 4.22Å; I472-F512 HydrophobicContact CB-CE1 4.22Å; I472-F512 HydrophobicContact CB-CZ 4.46Å; I472-F512 HydrophobicContact CD1-CE1 3.85Å; I472-F512 HydrophobicContact CD1-CZ 3.84Å; I472-F512 HydrophobicContact CG1-CE1 4.18Å
473	A	98.7	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.9	-170.8	0	0	0	0	0	111.9	S449 D452 Y471 I492 M493 Y494 V495	S449-A473 CarbonylContact O-C 3.6Å; S449-A473 VanDerWaalsContact O-CA 3.25Å; S449-A473 WeakPolarHBondContact O-CA 3.46Å; D452-A473 HydrophobicContact CB-CB 3.8Å; Y471-A473 HydrophobicContact CD1-CB 4.45Å; Y471-A473 HydrophobicContact CE1-CB 4.28Å; A473-I492 HydrophobicContact CB-CG2 3.42Å; A473-I492 VanDerWaalsContact CB-CG2 3.42Å; A473-M493 PolarHBondContact N-O 3.37Å; A473-Y494 HydrophobicContact CB-CD1 3.81Å; A473-Y494 HydrophobicContact CB-CE1 3.66Å; A473-Y494 WeakPolarHBondContact O-CA 3.46Å; A473-V495 PolarHBondContact O-N 2.78Å
474	S	98.7	Very high	97.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.9	165.8	175.3	0	0	0	0	109.5	S449 F451 D452 G496 V498	S449-S474 PolarHBondContact O-N 2.74Å; F451-S474 WeakPolarHBondContact CA-O 3.05Å; F451-S474 PolarHBondContact N-O 3.35Å; D452-S474 PolarHBondContact N-O 3.16Å; S474-G496 WeakPolarHBondContact CA-O 3.31Å; S474-G496 WeakPolarHBondContact CB-O 3.28Å; S474-G496 PolarHBondContact OG-O 3.15Å; S474-V498 WeakPolarHBondContact OG-CA 3.34Å; S474-V498 WeakPolarHBondContact OG-CB 3.33Å; S474-V498 PolarHBondContact OG-N 3.48Å
475	E	98.3	Very high	97.8	Very high	24 Å²	24	39.8 Å²	39.8	11%	0.112	21%	0.208	C	C	.	.			trans	-155.5	147.7	177.2	-172.1	47.8	-110.1	0	0	109.2	D452 G453 C477 I481 Y494 G496	D452-E475 PolarHBondContact N-OE2 2.91Å; G453-E475 WeakPolarHBondContact CA-OE2 3.49Å; G453-E475 PolarHBondContact N-OE2 3.2Å; E475-C477 WeakPolarHBondContact OE1-CB 3.33Å; E475-C477 PolarHBondContact OE1-N 3.45Å; E475-I481 HydrophobicContact CB-CG1 4Å; E475-I481 HydrophobicContact CG-CG1 3.94Å; E475-Y494 HydrophobicContact CB-CD1 4.25Å; E475-Y494 HydrophobicContact CB-CE1 4.09Å; E475-G496 PolarHBondContact N-O 3.23Å; E475-G496 CarbonylContact O-C 3.59Å; E475-G496 WeakPolarHBondContact O-CA 3.38Å
476	V	97.8	Very high	97.8	Very high	91 Å²	91	42.8 Å²	42.8	55%	0.552	22%	0.223	S	C	*	.			trans	-121.3	-12.6	-178.8	-61.4	0	0	0	0	112.8	E478 D497	V476-E478 PolarHBondContact O-N 2.96Å; V476-D497 HydrophobicContact CG1-CB 3.78Å
477	C	96.5	Very high	97.7	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.196	24%	0.236	C	C	.	.			trans	-81.2	108.2	176	-177.3	0	0	0	0	110.2	E475 D479 S480 I481	E475-C477 WeakPolarHBondContact OE1-CB 3.33Å; E475-C477 PolarHBondContact OE1-N 3.45Å; C477-D479 PolarHBondContact O-N 3.42Å; C477-S480 WeakPolarHBondContact CB-OG 3.41Å; C477-S480 WeakPolarHBondContact O-CA 3.43Å; C477-S480 WeakPolarHBondContact O-CB 3.28Å; C477-S480 PolarHBondContact O-N 2.9Å; C477-S480 PolarHBondContact SG-OG 2.84Å; C477-S480 VanDerWaalsContact SG-OG 3.36Å; C477-I481 WeakPolarHBondContact O-CG1 3.47Å; C477-I481 PolarHBondContact O-N 2.89Å
478	E	96.6	Very high	97.6	Very high	133 Å²	133	43 Å²	43	62%	0.621	22%	0.221	S	C	*	.	H	α-helix	trans	-50.6	-41.2	177.8	-66.8	-56.3	136.5	0	0	113.2	V476 S480 I481 T482	V476-E478 PolarHBondContact O-N 2.96Å; E478-S480 VanDerWaalsContact C-N 3.29Å; E478-S480 PolarHBondContact O-N 3.31Å; E478-I481 PolarHBondContact O-N 2.68Å; E478-T482 WeakPolarHBondContact O-CB 3.29Å; E478-T482 PolarHBondContact O-N 2.82Å; E478-T482 PolarHBondContact O-OG1 3.33Å
479	D	96.9	Very high	97.5	Very high	55 Å²	55	47 Å²	47	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-38.6	176.4	-68.3	-25.9	0	0	0	111.9	C477 T482 V483 M691 L699	C477-D479 PolarHBondContact O-N 3.42Å; D479-T482 PolarHBondContact O-N 3.46Å; D479-V483 WeakPolarHBondContact O-CG2 3.49Å; D479-V483 PolarHBondContact O-N 2.88Å; D479-V483 VanDerWaalsContact O-N 3.15Å; D479-M691 VanDerWaalsContact CA-CE 3.44Å; D479-M691 HydrophobicContact CB-CE 3.6Å; D479-M691 HydrophobicContact CB-SD 3.94Å; D479-M691 VanDerWaalsContact O-CE 3.29Å; D479-M691 WeakPolarHBondContact O-CE 3.34Å; D479-L699 HydrophobicContact CB-CD1 4.13Å; D479-L699 HydrophobicContact CB-CD2 4.12Å
480	S	97.3	Very high	97.1	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-44.2	-179.2	-59.3	0	0	0	0	110.9	G453 C477 E478 T482 V483 G484 L699	G453-S480 WeakPolarHBondContact O-CB 3.38Å; C477-S480 WeakPolarHBondContact CB-OG 3.41Å; C477-S480 WeakPolarHBondContact O-CA 3.43Å; C477-S480 WeakPolarHBondContact O-CB 3.28Å; C477-S480 PolarHBondContact O-N 2.9Å; C477-S480 PolarHBondContact SG-OG 2.84Å; C477-S480 VanDerWaalsContact SG-OG 3.36Å; E478-S480 VanDerWaalsContact C-N 3.29Å; E478-S480 PolarHBondContact O-N 3.31Å; S480-T482 VanDerWaalsContact C-N 3.3Å; S480-T482 PolarHBondContact O-N 3.03Å; S480-V483 PolarHBondContact O-N 3.12Å; S480-G484 PolarHBondContact O-N 3.33Å; S480-L699 WeakPolarHBondContact OG-CD2 3.48Å
481	I	98	Very high	97	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.108	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-44.6	174.8	-63.1	169.2	0	0	0	110.2	E475 C477 E478 V483 G484 M485 Y494	E475-I481 HydrophobicContact CB-CG1 4Å; E475-I481 HydrophobicContact CG-CG1 3.94Å; C477-I481 WeakPolarHBondContact O-CG1 3.47Å; C477-I481 PolarHBondContact O-N 2.89Å; E478-I481 PolarHBondContact O-N 2.68Å; I481-V483 PolarHBondContact O-N 2.97Å; I481-G484 PolarHBondContact O-N 2.91Å; I481-M485 HydrophobicContact CG2-CG 4.15Å; I481-M485 HydrophobicContact CG2-SD 3.83Å; I481-M485 WeakPolarHBondContact O-CB 3.45Å; I481-M485 WeakPolarHBondContact O-CG 3.5Å; I481-M485 PolarHBondContact O-N 2.9Å; I481-Y494 HydrophobicContact CB-CE1 4.48Å; I481-Y494 HydrophobicContact CG1-CD1 4.04Å; I481-Y494 HydrophobicContact CG1-CE1 4.07Å; I481-Y494 HydrophobicContact CG2-CD1 4.34Å; I481-Y494 HydrophobicContact CG2-CD2 3.84Å; I481-Y494 HydrophobicContact CG2-CE1 4.46Å; I481-Y494 HydrophobicContact CG2-CE2 3.95Å; I481-Y494 HydrophobicContact CG2-CG 4.05Å
482	T	97.7	Very high	97	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.258	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-44.3	178.7	-59.6	0	0	0	0	111.7	E478 D479 S480 V486 V688 M691	E478-T482 WeakPolarHBondContact O-CB 3.29Å; E478-T482 PolarHBondContact O-N 2.82Å; E478-T482 PolarHBondContact O-OG1 3.33Å; D479-T482 PolarHBondContact O-N 3.46Å; S480-T482 VanDerWaalsContact C-N 3.3Å; S480-T482 PolarHBondContact O-N 3.03Å; T482-V486 WeakPolarHBondContact O-CB 3.45Å; T482-V486 WeakPolarHBondContact O-CG2 3.4Å; T482-V486 PolarHBondContact O-N 3.23Å; T482-V486 VanDerWaalsContact O-N 3.07Å; T482-V688 HydrophobicContact CG2-CG2 4.26Å; T482-M691 HydrophobicContact CG2-CE 4.12Å
483	V	97.9	Very high	96.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-51.2	174.2	175.6	0	0	0	0	111	I454 D479 S480 I481 M485 V486 R487 Y685 V688 M691 L699	I454-V483 HydrophobicContact CB-CB 4.34Å; I454-V483 HydrophobicContact CB-CG1 3.91Å; I454-V483 HydrophobicContact CG2-CB 4.12Å; I454-V483 HydrophobicContact CG2-CG1 4.13Å; I454-V483 HydrophobicContact CG2-CG2 4.18Å; D479-V483 WeakPolarHBondContact O-CG2 3.49Å; D479-V483 PolarHBondContact O-N 2.88Å; D479-V483 VanDerWaalsContact O-N 3.15Å; S480-V483 PolarHBondContact O-N 3.12Å; I481-V483 PolarHBondContact O-N 2.97Å; V483-M485 PolarHBondContact O-N 3.29Å; V483-V486 PolarHBondContact O-N 3.16Å; V483-R487 HydrophobicContact CG1-CG 4.1Å; V483-R487 VanDerWaalsContact O-CB 3.29Å; V483-R487 WeakPolarHBondContact O-CB 3.41Å; V483-R487 VanDerWaalsContact O-CG 3.28Å; V483-R487 WeakPolarHBondContact O-CG 3.4Å; V483-R487 PolarHBondContact O-N 2.75Å; V483-Y685 HydrophobicContact CG1-CD1 4.04Å; V483-Y685 HydrophobicContact CG1-CE1 3.6Å; V483-V688 HydrophobicContact CB-CG2 4.17Å; V483-V688 HydrophobicContact CG2-CG2 3.41Å; V483-V688 VanDerWaalsContact CG2-CG2 3.41Å; V483-M691 HydrophobicContact CG2-CE 4.4Å; V483-L699 HydrophobicContact CG2-CD1 3.88Å
484	G	97.4	Very high	96.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-44.3	-178.8	0	0	0	0	0	113	S480 I481 V486 H488 Y494	S480-G484 PolarHBondContact O-N 3.33Å; I481-G484 PolarHBondContact O-N 2.91Å; G484-V486 PolarHBondContact O-N 3.32Å; G484-H488 WeakPolarHBondContact O-CB 3.25Å; G484-H488 PolarHBondContact O-CD2 2.99Å; G484-H488 PolarHBondContact O-N 3.32Å; G484-Y494 WeakPolarHBondContact CA-OH 3.34Å
485	M	96.9	Very high	96.8	Very high	101 Å²	101	56.3 Å²	56.3	50%	0.498	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-47.8	177.4	-76.4	-177	62.1	0	0	112.3	I481 V483 Q489 G490 Y494	I481-M485 HydrophobicContact CG2-CG 4.15Å; I481-M485 HydrophobicContact CG2-SD 3.83Å; I481-M485 WeakPolarHBondContact O-CB 3.45Å; I481-M485 WeakPolarHBondContact O-CG 3.5Å; I481-M485 PolarHBondContact O-N 2.9Å; V483-M485 PolarHBondContact O-N 3.29Å; M485-Q489 PolarHBondContact O-N 3.38Å; M485-Q489 VanDerWaalsContact O-N 3.11Å; M485-G490 PolarHBondContact O-N 3.12Å; M485-Y494 HydrophobicContact CG-CD2 4.11Å; M485-Y494 HydrophobicContact CG-CE2 3.83Å
486	V	96.9	Very high	96.8	Very high	81 Å²	81	56.4 Å²	56.4	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-49.2	-178.9	173.2	0	0	0	0	111	T482 V483 G484 H488 Q489 V688	T482-V486 WeakPolarHBondContact O-CB 3.45Å; T482-V486 WeakPolarHBondContact O-CG2 3.4Å; T482-V486 PolarHBondContact O-N 3.23Å; T482-V486 VanDerWaalsContact O-N 3.07Å; V483-V486 PolarHBondContact O-N 3.16Å; G484-V486 PolarHBondContact O-N 3.32Å; V486-H488 VanDerWaalsContact C-N 3.31Å; V486-H488 PolarHBondContact O-N 3.14Å; V486-Q489 PolarHBondContact O-N 3.45Å; V486-V688 HydrophobicContact CB-CB 4.47Å; V486-V688 HydrophobicContact CB-CG1 4.04Å; V486-V688 HydrophobicContact CG1-CB 4.44Å; V486-V688 HydrophobicContact CG1-CG1 3.8Å
487	R	96.5	Very high	96.8	Very high	79 Å²	79	54 Å²	54	30%	0.298	29%	0.287	S	S	.	.	H	α-helix	trans	-71.3	-25.4	-174.7	-66.4	-68.4	161.7	-164	-9.7	113.6	V483 Q489 H684 Y685 D687	V483-R487 HydrophobicContact CG1-CG 4.1Å; V483-R487 VanDerWaalsContact O-CB 3.29Å; V483-R487 WeakPolarHBondContact O-CB 3.41Å; V483-R487 VanDerWaalsContact O-CG 3.28Å; V483-R487 WeakPolarHBondContact O-CG 3.4Å; V483-R487 PolarHBondContact O-N 2.75Å; R487-Q489 PolarHBondContact O-NE2 3.5Å; R487-H684 PolarHBondContact NH2-O 2.8Å; R487-Y685 HydrophobicContact CB-CD2 4.5Å; R487-Y685 HydrophobicContact CB-CE2 3.87Å; R487-Y685 WeakPolarHBondContact CD-O 3.43Å; R487-Y685 HydrophobicContact CG-CD2 4.01Å; R487-Y685 HydrophobicContact CG-CE1 4.47Å; R487-Y685 HydrophobicContact CG-CE2 3.81Å; R487-Y685 HydrophobicContact CG-CG 4.42Å; R487-Y685 PolarHBondContact NE-O 2.69Å; R487-D687 PolarHBondContact NH2-O 2.8Å
488	H	97.1	Very high	96.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	19.9	-179.6	-56.4	-87.7	0	0	0	113.5	L458 L459 K462 G484 V486 G490 K491 I492 Y685	L458-H488 HydrophobicContact CD2-CB 3.69Å; L458-H488 WeakPolarHBondContact CD2-ND1 3.49Å; L458-H488 WeakPolarHBondContact CG-ND1 2.93Å; L459-H488 PolarHBondContact N-CE1 3.2Å; K462-H488 PolarHBondContact NZ-ND1 3.21Å; G484-H488 WeakPolarHBondContact O-CB 3.25Å; G484-H488 PolarHBondContact O-CD2 2.99Å; G484-H488 PolarHBondContact O-N 3.32Å; V486-H488 VanDerWaalsContact C-N 3.31Å; V486-H488 PolarHBondContact O-N 3.14Å; H488-G490 PolarHBondContact O-N 3.35Å; H488-K491 VanDerWaalsContact O-CB 3.25Å; H488-K491 WeakPolarHBondContact O-CB 3.17Å; H488-K491 VanDerWaalsContact O-CG 3.27Å; H488-K491 WeakPolarHBondContact O-CG 3.4Å; H488-K491 PolarHBondContact O-N 2.95Å; H488-I492 HydrophobicContact CB-CD1 4.04Å; H488-I492 HydrophobicContact CB-CG1 4.17Å; H488-Y685 PolarHBondContact NE2-OH 3.37Å
489	Q	95.1	Very high	96.9	Very high	126 Å²	126	53.5 Å²	53.5	59%	0.589	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	39.3	169.7	-53.9	76.1	43.2	0	0	112.9	M485 V486 R487 K491	M485-Q489 PolarHBondContact O-N 3.38Å; M485-Q489 VanDerWaalsContact O-N 3.11Å; V486-Q489 PolarHBondContact O-N 3.45Å; R487-Q489 PolarHBondContact O-NE2 3.5Å; Q489-K491 PolarHBondContact O-N 3.38Å
490	G	89.3	Confident	96.9	Very high	52 Å²	52	54.5 Å²	54.5	54%	0.536	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	12.4	-178.6	0	0	0	0	0	115.7	M485 H488 I492	M485-G490 PolarHBondContact O-N 3.12Å; H488-G490 PolarHBondContact O-N 3.35Å; G490-I492 PolarHBondContact O-N 2.69Å
491	K	95.7	Very high	97	Very high	146 Å²	146	54.4 Å²	54.4	64%	0.635	29%	0.286	S	S	*	.			trans	-70	-16.6	178.4	-68.5	-177.3	178.5	-174.8	0	114.1	H488 Q489	H488-K491 VanDerWaalsContact O-CB 3.25Å; H488-K491 WeakPolarHBondContact O-CB 3.17Å; H488-K491 VanDerWaalsContact O-CG 3.27Å; H488-K491 WeakPolarHBondContact O-CG 3.4Å; H488-K491 PolarHBondContact O-N 2.95Å; Q489-K491 PolarHBondContact O-N 3.38Å
492	I	98.3	Very high	97	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.062	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128	-179.9	-58.7	170	0	0	0	109.2	A455 L458 Y471 A473 H488 G490 Y494	A455-I492 HydrophobicContact CB-CD1 3.56Å; L458-I492 HydrophobicContact CD2-CD1 3.92Å; L458-I492 HydrophobicContact CD2-CG1 3.49Å; L458-I492 VanDerWaalsContact CD2-CG1 3.49Å; Y471-I492 HydrophobicContact CD1-CB 4.47Å; Y471-I492 HydrophobicContact CD1-CG1 3.97Å; Y471-I492 HydrophobicContact CD1-CG2 4.01Å; A473-I492 HydrophobicContact CB-CG2 3.42Å; A473-I492 VanDerWaalsContact CB-CG2 3.42Å; H488-I492 HydrophobicContact CB-CD1 4.04Å; H488-I492 HydrophobicContact CB-CG1 4.17Å; G490-I492 PolarHBondContact O-N 2.69Å; I492-Y494 HydrophobicContact CB-CD2 4.21Å; I492-Y494 HydrophobicContact CB-CE2 3.73Å; I492-Y494 HydrophobicContact CD1-CE2 4.27Å; I492-Y494 WeakPolarHBondContact CD1-OH 3.44Å; I492-Y494 HydrophobicContact CG2-CD1 4.23Å; I492-Y494 HydrophobicContact CG2-CD2 3.79Å; I492-Y494 HydrophobicContact CG2-CE1 3.93Å; I492-Y494 HydrophobicContact CG2-CE2 3.49Å; I492-Y494 VanDerWaalsContact CG2-CE2 3.49Å; I492-Y494 HydrophobicContact CG2-CG 4.15Å; I492-Y494 PolarHBondContact O-N 3.39Å
493	M	98.1	Very high	96.9	Very high	99 Å²	99	60.2 Å²	60.2	49%	0.488	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	102.3	170.3	-179.3	-176.3	-69.9	0	0	109.3	Y471 I472 A473 V495	Y471-M493 PolarHBondContact O-N 2.73Å; I472-M493 WeakPolarHBondContact CA-O 3.12Å; I472-M493 HydrophobicContact CD1-SD 3.97Å; I472-M493 HydrophobicContact CG1-CB 4.15Å; I472-M493 HydrophobicContact CG1-SD 4.18Å; A473-M493 PolarHBondContact N-O 3.37Å; M493-V495 HydrophobicContact CG-CG1 4.49Å
494	Y	98.3	Very high	96.9	Very high	49 Å²	49	66.7 Å²	66.7	19%	0.192	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.1	177.3	-76	-75.5	0	0	0	111.9	A473 E475 I481 G484 M485 I492	A473-Y494 HydrophobicContact CB-CD1 3.81Å; A473-Y494 HydrophobicContact CB-CE1 3.66Å; A473-Y494 WeakPolarHBondContact O-CA 3.46Å; E475-Y494 HydrophobicContact CB-CD1 4.25Å; E475-Y494 HydrophobicContact CB-CE1 4.09Å; I481-Y494 HydrophobicContact CB-CE1 4.48Å; I481-Y494 HydrophobicContact CG1-CD1 4.04Å; I481-Y494 HydrophobicContact CG1-CE1 4.07Å; I481-Y494 HydrophobicContact CG2-CD1 4.34Å; I481-Y494 HydrophobicContact CG2-CD2 3.84Å; I481-Y494 HydrophobicContact CG2-CE1 4.46Å; I481-Y494 HydrophobicContact CG2-CE2 3.95Å; I481-Y494 HydrophobicContact CG2-CG 4.05Å; G484-Y494 WeakPolarHBondContact CA-OH 3.34Å; M485-Y494 HydrophobicContact CG-CD2 4.11Å; M485-Y494 HydrophobicContact CG-CE2 3.83Å; I492-Y494 HydrophobicContact CB-CD2 4.21Å; I492-Y494 HydrophobicContact CB-CE2 3.73Å; I492-Y494 HydrophobicContact CD1-CE2 4.27Å; I492-Y494 WeakPolarHBondContact CD1-OH 3.44Å; I492-Y494 HydrophobicContact CG2-CD1 4.23Å; I492-Y494 HydrophobicContact CG2-CD2 3.79Å; I492-Y494 HydrophobicContact CG2-CE1 3.93Å; I492-Y494 HydrophobicContact CG2-CE2 3.49Å; I492-Y494 VanDerWaalsContact CG2-CE2 3.49Å; I492-Y494 HydrophobicContact CG2-CG 4.15Å; I492-Y494 PolarHBondContact O-N 3.39Å
495	V	96.9	Very high	96.9	Very high	36 Å²	36	69.7 Å²	69.7	22%	0.218	36%	0.356	C	S	.	.			trans	-115.6	2.4	-176.2	-57.3	0	0	0	0	113.6	I472 A473 M493 V501 W509	I472-V495 HydrophobicContact CG2-CG1 3.61Å; I472-V495 HydrophobicContact CG2-CG2 4.47Å; A473-V495 PolarHBondContact O-N 2.78Å; M493-V495 HydrophobicContact CG-CG1 4.49Å; V495-V501 HydrophobicContact CG2-CG2 3.88Å; V495-W509 HydrophobicContact CB-CH2 3.63Å; V495-W509 HydrophobicContact CB-CZ2 4.26Å; V495-W509 HydrophobicContact CB-CZ3 4.18Å; V495-W509 HydrophobicContact CG1-CE3 4.46Å; V495-W509 HydrophobicContact CG1-CH2 3.41Å; V495-W509 VanDerWaalsContact CG1-CH2 3.41Å; V495-W509 HydrophobicContact CG1-CZ2 3.72Å; V495-W509 HydrophobicContact CG1-CZ3 3.82Å; V495-W509 HydrophobicContact CG2-CH2 3.98Å; V495-W509 HydrophobicContact CG2-CZ3 4.09Å
496	G	96.9	Very high	96.9	Very high	27 Å²	27	65.2 Å²	65.2	28%	0.278	33%	0.333	S	S	.	.			trans	76.2	-140.8	179.1	0	0	0	0	0	113.1	S474 E475 V498	S474-G496 WeakPolarHBondContact CA-O 3.31Å; S474-G496 WeakPolarHBondContact CB-O 3.28Å; S474-G496 PolarHBondContact OG-O 3.15Å; E475-G496 PolarHBondContact N-O 3.23Å; E475-G496 CarbonylContact O-C 3.59Å; E475-G496 WeakPolarHBondContact O-CA 3.38Å; G496-V498 PolarHBondContact O-N 2.81Å
497	D	97.9	Very high	96.8	Very high	41 Å²	41	68.6 Å²	68.6	22%	0.219	34%	0.344	C	S	.	.			trans	-65.8	127.5	-174.8	-165	-48.5	0	0	0	112.7	V476 R499 S500	V476-D497 HydrophobicContact CG1-CB 3.78Å; D497-R499 PolarHBondContact O-N 3.42Å; D497-R499 VanDerWaalsContact O-N 3.1Å; D497-R499 WeakPolarHBondContact OD1-CB 3.26Å; D497-R499 WeakPolarHBondContact OD1-CG 3.4Å; D497-R499 IonicContact OD1-CZ 3.18Å; D497-R499 PolarHBondContact OD1-N 3.17Å; D497-R499 IonicContact OD1-NE 3.63Å; D497-R499 PolarHBondContact OD1-NE 3.42Å; D497-R499 IonicContact OD1-NH2 2.77Å; D497-R499 IonicContact OD2-CZ 3.95Å; D497-R499 IonicContact OD2-NE 3.81Å; D497-R499 PolarHBondContact OD2-NE 3.48Å; D497-R499 IonicContact OD2-NH2 3.82Å; D497-R499 PolarHBondContact OD2-NH2 3.04Å; D497-S500 WeakPolarHBondContact O-CB 3.43Å; D497-S500 PolarHBondContact O-N 3.36Å
498	V	98.1	Very high	96.8	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.018	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-54.8	-32.5	-178.7	71	0	0	0	0	112.9	L450 F451 S474 G496 S500 V501 L541 E544 L548	L450-V498 HydrophobicContact CD1-CG2 4.45Å; L450-V498 HydrophobicContact CD2-CG2 4.09Å; F451-V498 HydrophobicContact CE1-CB 4.2Å; F451-V498 HydrophobicContact CE1-CG1 3.61Å; F451-V498 HydrophobicContact CZ-CB 4.31Å; F451-V498 HydrophobicContact CZ-CG1 3.78Å; F451-V498 HydrophobicContact CZ-CG2 4.27Å; S474-V498 WeakPolarHBondContact OG-CA 3.34Å; S474-V498 WeakPolarHBondContact OG-CB 3.33Å; S474-V498 PolarHBondContact OG-N 3.48Å; G496-V498 PolarHBondContact O-N 2.81Å; V498-S500 PolarHBondContact O-N 2.85Å; V498-V501 WeakPolarHBondContact O-CB 3.34Å; V498-V501 PolarHBondContact O-N 2.86Å; V498-V501 VanDerWaalsContact O-N 3.07Å; V498-L541 HydrophobicContact CG1-CD2 4.2Å; V498-E544 HydrophobicContact CG1-CB 3.79Å; V498-E544 HydrophobicContact CG1-CG 3.99Å; V498-E544 HydrophobicContact CG2-CB 3.92Å; V498-L548 HydrophobicContact CG2-CD1 3.49Å; V498-L548 VanDerWaalsContact CG2-CD1 3.49Å
499	R	97.6	Very high	96.8	Very high	148 Å²	148	72.2 Å²	72.2	56%	0.558	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-68.2	-21.3	-179.2	-62.3	172.5	-69.6	173.4	-0.9	112.4	D497 V501 L541 E544	D497-R499 PolarHBondContact O-N 3.42Å; D497-R499 VanDerWaalsContact O-N 3.1Å; D497-R499 WeakPolarHBondContact OD1-CB 3.26Å; D497-R499 WeakPolarHBondContact OD1-CG 3.4Å; D497-R499 IonicContact OD1-CZ 3.18Å; D497-R499 PolarHBondContact OD1-N 3.17Å; D497-R499 IonicContact OD1-NE 3.63Å; D497-R499 PolarHBondContact OD1-NE 3.42Å; D497-R499 IonicContact OD1-NH2 2.77Å; D497-R499 IonicContact OD2-CZ 3.95Å; D497-R499 IonicContact OD2-NE 3.81Å; D497-R499 PolarHBondContact OD2-NE 3.48Å; D497-R499 IonicContact OD2-NH2 3.82Å; D497-R499 PolarHBondContact OD2-NH2 3.04Å; R499-V501 VanDerWaalsContact C-N 3.32Å; R499-L541 HydrophobicContact CG-CD2 4.33Å; R499-E544 HydrophobicContact CG-CG 3.95Å
500	S	97.8	Very high	96.2	Very high	76 Å²	76	66.9 Å²	66.9	53%	0.531	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-84.3	-10.4	177	-50.5	0	0	0	0	112.4	D497 V498 T502	D497-S500 WeakPolarHBondContact O-CB 3.43Å; D497-S500 PolarHBondContact O-N 3.36Å; V498-S500 PolarHBondContact O-N 2.85Å; S500-T502 PolarHBondContact O-N 3.15Å
501	V	98	Very high	96.5	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.012	34%	0.335	C	S	.	.			trans	-78.2	123.9	178.3	-175.5	0	0	0	0	109.3	V495 V498 R499 H505 I506 W509 R547 L548	V495-V501 HydrophobicContact CG2-CG2 3.88Å; V498-V501 WeakPolarHBondContact O-CB 3.34Å; V498-V501 PolarHBondContact O-N 2.86Å; V498-V501 VanDerWaalsContact O-N 3.07Å; R499-V501 VanDerWaalsContact C-N 3.32Å; V501-H505 HydrophobicContact CG1-CB 4.24Å; V501-I506 HydrophobicContact CG1-CD1 3.71Å; V501-I506 HydrophobicContact CG1-CG1 4.13Å; V501-W509 HydrophobicContact CG1-CH2 4.07Å; V501-W509 HydrophobicContact CG1-CZ3 3.59Å; V501-W509 HydrophobicContact CG2-CH2 4.21Å; V501-W509 HydrophobicContact CG2-CZ3 4.19Å; V501-R547 PolarHBondContact O-NH1 3.21Å; V501-R547 PolarHBondContact O-NH2 3.1Å; V501-L548 HydrophobicContact CB-CD1 3.9Å; V501-L548 HydrophobicContact CB-CD2 4.12Å; V501-L548 HydrophobicContact CG1-CD1 3.99Å; V501-L548 HydrophobicContact CG1-CD2 3.79Å
502	T	97.6	Very high	96.6	Very high	60 Å²	60	60.6 Å²	60.6	37%	0.368	31%	0.305	S	S	.	.			trans	-107.1	162	-178.3	67.9	0	0	0	0	110.5	S500 K504 H505 I506	S500-T502 PolarHBondContact O-N 3.15Å; T502-K504 PolarHBondContact O-N 3.15Å; T502-H505 PolarHBondContact N-ND1 2.64Å; T502-H505 WeakPolarHBondContact O-CB 3.33Å; T502-H505 PolarHBondContact O-N 2.99Å; T502-H505 PolarHBondContact OG1-N 3.02Å; T502-H505 PolarHBondContact OG1-ND1 2.66Å; T502-I506 PolarHBondContact O-N 2.68Å; T502-I506 VanDerWaalsContact O-N 3.13Å
503	Q	96.3	Very high	96.6	Very high	124 Å²	124	60.5 Å²	60.5	58%	0.579	31%	0.305	S	S	*	.	H	α-helix	trans	-55.5	-36.8	173.6	-172.3	179.1	29.2	0	0	112.3	H505 I506 Q507 D551	Q503-H505 VanDerWaalsContact C-N 3.35Å; Q503-H505 PolarHBondContact O-N 3.32Å; Q503-I506 PolarHBondContact O-N 3.46Å; Q503-Q507 PolarHBondContact O-N 3.02Å; Q503-D551 HydrophobicContact CG-CB 4.27Å
504	K	97.4	Very high	96.6	Very high	136 Å²	136	55.8 Å²	55.8	59%	0.591	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-44.9	175.3	179.9	177.3	171.8	-179.4	0	111.5	T502 I506 Q507 E508	T502-K504 PolarHBondContact O-N 3.15Å; K504-I506 PolarHBondContact O-N 3.32Å; K504-Q507 PolarHBondContact O-N 3.05Å; K504-E508 WeakPolarHBondContact CE-OE1 3.47Å; K504-E508 HydrophobicContact CG-CG 4.45Å; K504-E508 IonicContact NZ-OE1 3.36Å; K504-E508 WeakPolarHBondContact O-CG 3.37Å; K504-E508 PolarHBondContact O-N 3.42Å
505	H	97.9	Very high	96.7	Very high	64 Å²	64	53.4 Å²	53.4	30%	0.296	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-46.3	175	-65.4	156.8	0	0	0	111.6	V501 T502 Q503 Q507 E508 W509	V501-H505 HydrophobicContact CG1-CB 4.24Å; T502-H505 PolarHBondContact N-ND1 2.64Å; T502-H505 WeakPolarHBondContact O-CB 3.33Å; T502-H505 PolarHBondContact O-N 2.99Å; T502-H505 PolarHBondContact OG1-N 3.02Å; T502-H505 PolarHBondContact OG1-ND1 2.66Å; Q503-H505 VanDerWaalsContact C-N 3.35Å; Q503-H505 PolarHBondContact O-N 3.32Å; H505-Q507 VanDerWaalsContact C-N 3.26Å; H505-Q507 PolarHBondContact O-N 2.93Å; H505-E508 PolarHBondContact O-N 3.05Å; H505-W509 HydrophobicContact CB-CD2 4.01Å; H505-W509 HydrophobicContact CB-CE3 4Å; H505-W509 HydrophobicContact CB-CH2 3.57Å; H505-W509 HydrophobicContact CB-CZ2 3.57Å; H505-W509 HydrophobicContact CB-CZ3 3.8Å; H505-W509 AromaticContact CG-CH2 3.9Å; H505-W509 AromaticContact CG-CZ2 3.72Å; H505-W509 WeakPolarHBondContact O-CB 3.49Å; H505-W509 VanDerWaalsContact O-CD2 3.28Å; H505-W509 PolarHBondContact O-N 2.7Å
506	I	97.7	Very high	96.8	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-40	178.2	-61.9	-56.6	0	0	0	111.8	L448 V501 T502 Q503 K504 W509 G510 F512 L548 D551 A552	L448-I506 HydrophobicContact CD1-CD1 4.48Å; L448-I506 HydrophobicContact CD2-CD1 3.65Å; V501-I506 HydrophobicContact CG1-CD1 3.71Å; V501-I506 HydrophobicContact CG1-CG1 4.13Å; T502-I506 PolarHBondContact O-N 2.68Å; T502-I506 VanDerWaalsContact O-N 3.13Å; Q503-I506 PolarHBondContact O-N 3.46Å; K504-I506 PolarHBondContact O-N 3.32Å; I506-W509 HydrophobicContact CD1-CE3 4.47Å; I506-G510 WeakPolarHBondContact O-CA 3.46Å; I506-G510 PolarHBondContact O-N 2.79Å; I506-F512 HydrophobicContact CD1-CE2 4.25Å; I506-F512 HydrophobicContact CG2-CD2 4.3Å; I506-F512 HydrophobicContact CG2-CE2 4.16Å; I506-L548 HydrophobicContact CD1-CD2 4.19Å; I506-L548 HydrophobicContact CG1-CD2 3.99Å; I506-D551 HydrophobicContact CB-CB 4.29Å; I506-D551 HydrophobicContact CG1-CB 4.15Å; I506-D551 HydrophobicContact CG2-CB 4.16Å; I506-A552 HydrophobicContact CG2-CB 3.86Å
507	Q	94.6	Very high	96.8	Very high	152 Å²	152	50.4 Å²	50.4	71%	0.71	25%	0.249	S	C	*	.	H	α-helix	trans	-71.1	-37	179.1	-164.7	175.8	2.7	0	0	113.1	Q503 K504 H505	Q503-Q507 PolarHBondContact O-N 3.02Å; K504-Q507 PolarHBondContact O-N 3.05Å; H505-Q507 VanDerWaalsContact C-N 3.26Å; H505-Q507 PolarHBondContact O-N 2.93Å
508	E	96.4	Very high	96.8	Very high	112 Å²	112	49.2 Å²	49.2	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-74.4	-37.5	178.4	-73.1	174.7	172.8	0	0	112.6	K504 H505	K504-E508 WeakPolarHBondContact CE-OE1 3.47Å; K504-E508 HydrophobicContact CG-CG 4.45Å; K504-E508 IonicContact NZ-OE1 3.36Å; K504-E508 WeakPolarHBondContact O-CG 3.37Å; K504-E508 PolarHBondContact O-N 3.42Å; H505-E508 PolarHBondContact O-N 3.05Å
509	W	96.2	Very high	96.6	Very high	46 Å²	46	49.3 Å²	49.3	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-80.4	-29.1	-179.2	-64.5	-12.6	0	0	0	113	R470 I472 V495 V501 H505 I506 F512	R470-W509 PolarHBondContact NH1-O 2.84Å; I472-W509 HydrophobicContact CD1-CB 3.51Å; I472-W509 HydrophobicContact CD1-CD2 4.25Å; I472-W509 HydrophobicContact CD1-CE3 4.48Å; I472-W509 HydrophobicContact CD1-CG 3.84Å; I472-W509 HydrophobicContact CG2-CD2 4.45Å; I472-W509 HydrophobicContact CG2-CE3 3.95Å; I472-W509 HydrophobicContact CG2-CZ3 4.22Å; V495-W509 HydrophobicContact CB-CH2 3.63Å; V495-W509 HydrophobicContact CB-CZ2 4.26Å; V495-W509 HydrophobicContact CB-CZ3 4.18Å; V495-W509 HydrophobicContact CG1-CE3 4.46Å; V495-W509 HydrophobicContact CG1-CH2 3.41Å; V495-W509 VanDerWaalsContact CG1-CH2 3.41Å; V495-W509 HydrophobicContact CG1-CZ2 3.72Å; V495-W509 HydrophobicContact CG1-CZ3 3.82Å; V495-W509 HydrophobicContact CG2-CH2 3.98Å; V495-W509 HydrophobicContact CG2-CZ3 4.09Å; V501-W509 HydrophobicContact CG1-CH2 4.07Å; V501-W509 HydrophobicContact CG1-CZ3 3.59Å; V501-W509 HydrophobicContact CG2-CH2 4.21Å; V501-W509 HydrophobicContact CG2-CZ3 4.19Å; H505-W509 HydrophobicContact CB-CD2 4.01Å; H505-W509 HydrophobicContact CB-CE3 4Å; H505-W509 HydrophobicContact CB-CH2 3.57Å; H505-W509 HydrophobicContact CB-CZ2 3.57Å; H505-W509 HydrophobicContact CB-CZ3 3.8Å; H505-W509 AromaticContact CG-CH2 3.9Å; H505-W509 AromaticContact CG-CZ2 3.72Å; H505-W509 WeakPolarHBondContact O-CB 3.49Å; H505-W509 VanDerWaalsContact O-CD2 3.28Å; H505-W509 PolarHBondContact O-N 2.7Å; I506-W509 HydrophobicContact CD1-CE3 4.47Å; W509-F512 HydrophobicContact CB-CE2 4.18Å; W509-F512 HydrophobicContact CB-CZ 3.69Å
510	G	82.8	Confident	96.5	Very high	13 Å²	13	44.4 Å²	44.4	13%	0.134	23%	0.234	C	C	.	.			trans	-78.9	-170.3	-175.7	0	0	0	0	0	115	I506	I506-G510 WeakPolarHBondContact O-CA 3.46Å; I506-G510 PolarHBondContact O-N 2.79Å
511	P	95.8	Very high	96.2	Very high	64 Å²	64	42.7 Å²	42.7	42%	0.416	22%	0.222	S	C	.	.			cis	-67.5	151.7	-0.1	-9.5	20.7	0	0	0	113.4	R446	R446-P511 WeakPolarHBondContact CD-O 3.29Å; R446-P511 PolarHBondContact NE-O 3.35Å; R446-P511 PolarHBondContact NH1-O 3.48Å
512	F	98.3	Very high	95.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	24%	0.239	C	C	.	.			trans	-107.4	140	173	-63.8	-74.2	0	0	0	111.3	L448 I472 I506 W509 A552 R560 F562	L448-F512 HydrophobicContact CB-CD1 3.75Å; L448-F512 HydrophobicContact CB-CD2 4.23Å; L448-F512 HydrophobicContact CB-CE1 3.87Å; L448-F512 HydrophobicContact CB-CE2 4.35Å; L448-F512 HydrophobicContact CB-CG 3.92Å; L448-F512 HydrophobicContact CB-CZ 4.15Å; L448-F512 HydrophobicContact CD1-CE1 4.43Å; L448-F512 HydrophobicContact CD1-CZ 4.12Å; L448-F512 HydrophobicContact CD2-CD2 4.37Å; L448-F512 HydrophobicContact CD2-CE2 4.28Å; I472-F512 HydrophobicContact CB-CE1 4.22Å; I472-F512 HydrophobicContact CB-CZ 4.46Å; I472-F512 HydrophobicContact CD1-CE1 3.85Å; I472-F512 HydrophobicContact CD1-CZ 3.84Å; I472-F512 HydrophobicContact CG1-CE1 4.18Å; I506-F512 HydrophobicContact CD1-CE2 4.25Å; I506-F512 HydrophobicContact CG2-CD2 4.3Å; I506-F512 HydrophobicContact CG2-CE2 4.16Å; W509-F512 HydrophobicContact CB-CE2 4.18Å; W509-F512 HydrophobicContact CB-CZ 3.69Å; F512-A552 HydrophobicContact CD2-CB 4.22Å; F512-R560 PolarHBondContact O-NH1 2.9Å; F512-F562 VanDerWaalsContact O-CD2 3.29Å; F512-F562 WeakPolarHBondContact O-CD2 3.4Å
513	D	98.6	Very high	95.6	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.053	23%	0.226	C	C	.	.	S	Bend	trans	-97.6	-24.7	177.6	-54.3	-57.2	0	0	0	112.7	I445 R446 F562 F563 F720	I445-D513 HydrophobicContact CG1-CB 3.97Å; R446-D513 WeakPolarHBondContact CB-OD2 3.3Å; R446-D513 IonicContact CZ-OD1 2.89Å; R446-D513 IonicContact CZ-OD2 3.12Å; R446-D513 PolarHBondContact N-OD2 3.14Å; R446-D513 IonicContact NE-OD1 3.07Å; R446-D513 IonicContact NE-OD2 3.49Å; R446-D513 PolarHBondContact NE-OD2 3.44Å; R446-D513 IonicContact NH2-OD1 3.64Å; R446-D513 PolarHBondContact NH2-OD1 3.18Å; R446-D513 IonicContact NH2-OD2 3.79Å; R446-D513 PolarHBondContact NH2-OD2 3.22Å; R446-D513 PolarHBondContact O-N 3.05Å; D513-F562 WeakPolarHBondContact O-CA 3.3Å; D513-F563 PolarHBondContact O-N 2.89Å; D513-F720 HydrophobicContact CB-CE1 3.53Å; D513-F720 HydrophobicContact CB-CZ 3.6Å
514	L	98.8	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.5	-177.9	175.5	63.3	0	0	0	110.6	I445 R446 V447 L448 I516 F563 L609 F713 L716	I445-L514 HydrophobicContact CD1-CB 3.81Å; I445-L514 HydrophobicContact CD1-CD2 3.88Å; I445-L514 HydrophobicContact CD1-CG 4.47Å; I445-L514 HydrophobicContact CG1-CB 4.26Å; R446-L514 PolarHBondContact O-N 3.41Å; R446-L514 VanDerWaalsContact O-N 3.13Å; V447-L514 WeakPolarHBondContact CA-O 3.43Å; V447-L514 HydrophobicContact CG1-CB 4.39Å; V447-L514 HydrophobicContact CG1-CD2 4.13Å; V447-L514 HydrophobicContact CG1-CG 4.19Å; V447-L514 HydrophobicContact CG2-CB 4.3Å; V447-L514 HydrophobicContact CG2-CD2 4.22Å; L448-L514 PolarHBondContact N-O 3.38Å; L514-I516 HydrophobicContact CD1-CG2 3.56Å; L514-I516 HydrophobicContact CD2-CG2 4.06Å; L514-I516 HydrophobicContact CG-CG2 3.68Å; L514-F563 CarbonylContact C-O 3.49Å; L514-F563 VanDerWaalsContact CA-O 3.27Å; L514-F563 WeakPolarHBondContact CA-O 3.16Å; L514-F563 HydrophobicContact CD1-CB 3.88Å; L514-L609 HydrophobicContact CD1-CD2 4.44Å; L514-F713 HydrophobicContact CD2-CE2 4.43Å; L514-F713 HydrophobicContact CD2-CZ 4.27Å; L514-L716 HydrophobicContact CD2-CD1 4.01Å
515	V	98.8	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.8	172.7	-177.3	0	0	0	0	109.9	L448 F545 L549 A552 F562 F563 W564 L565	L448-V515 HydrophobicContact CB-CG2 4.29Å; L448-V515 HydrophobicContact CD2-CG1 4.29Å; L448-V515 HydrophobicContact CD2-CG2 4.41Å; L448-V515 CarbonylContact O-C 3.49Å; L448-V515 WeakPolarHBondContact O-CA 3.33Å; V515-F545 HydrophobicContact CG1-CE2 4.06Å; V515-F545 HydrophobicContact CG1-CZ 4.42Å; V515-L549 HydrophobicContact CB-CD1 4.09Å; V515-L549 HydrophobicContact CG1-CD1 4.31Å; V515-L549 HydrophobicContact CG2-CD1 4.42Å; V515-A552 HydrophobicContact CG2-CB 3.8Å; V515-F562 HydrophobicContact CB-CZ 4.48Å; V515-F562 HydrophobicContact CG2-CE2 3.78Å; V515-F562 HydrophobicContact CG2-CZ 3.68Å; V515-F563 PolarHBondContact N-O 3.39Å; V515-W564 HydrophobicContact CB-CB 4.29Å; V515-W564 CarbonylContact O-C 3.44Å; V515-W564 WeakPolarHBondContact O-CA 3.22Å; V515-W564 WeakPolarHBondContact O-CB 3.33Å; V515-L565 PolarHBondContact O-N 3.35Å
516	I	98.9	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.1	-176.3	63.4	-178.8	0	0	0	111.7	V447 L448 L450 L514 L565 W704 F713	V447-I516 HydrophobicContact CG1-CD1 4.15Å; V447-I516 HydrophobicContact CG1-CG1 4.33Å; L448-I516 PolarHBondContact O-N 2.77Å; L450-I516 PolarHBondContact N-O 2.95Å; L514-I516 HydrophobicContact CD1-CG2 3.56Å; L514-I516 HydrophobicContact CD2-CG2 4.06Å; L514-I516 HydrophobicContact CG-CG2 3.68Å; I516-L565 CarbonylContact C-O 3.53Å; I516-L565 VanDerWaalsContact CA-O 3.26Å; I516-L565 WeakPolarHBondContact CA-O 3.23Å; I516-L565 HydrophobicContact CG2-CB 4.1Å; I516-W704 HydrophobicContact CB-CH2 4.08Å; I516-W704 HydrophobicContact CD1-CH2 4.22Å; I516-W704 HydrophobicContact CD1-CZ3 4.13Å; I516-W704 HydrophobicContact CG1-CH2 4.3Å; I516-F713 HydrophobicContact CD1-CE2 4.39Å; I516-F713 HydrophobicContact CD1-CZ 3.99Å; I516-F713 HydrophobicContact CG2-CE1 4.27Å; I516-F713 HydrophobicContact CG2-CZ 3.92Å
517	G	97.9	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	157.9	170.7	0	0	0	0	0	115.3	L450 L565 F566 E567	L450-G517 WeakPolarHBondContact O-CA 3.32Å; G517-L565 PolarHBondContact N-O 3.29Å; G517-F566 WeakPolarHBondContact O-CA 3.43Å; G517-F566 WeakPolarHBondContact O-CD2 3.44Å; G517-E567 PolarHBondContact O-N 3.1Å
518	G	96.6	Very high	93.3	Very high	16 Å²	16	32 Å²	32	17%	0.165	18%	0.183	C	C	.	.			trans	-137.1	97.1	174.2	0	0	0	0	0	109.5	F451 E567	F451-G518 WeakPolarHBondContact CB-O 3.3Å; G518-E567 WeakPolarHBondContact CA-O 3.45Å
519	S	95.8	Very high	92.8	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	20%	0.195	C	C	.	.			trans	-67.1	151.9	-177.5	65.4	0	0	0	0	111.1	C521 F566 N568	S519-C521 PolarHBondContact O-N 3.32Å; S519-F566 WeakPolarHBondContact OG-CZ 3.33Å; S519-N568 PolarHBondContact O-ND2 2.97Å; S519-N568 VanDerWaalsContact O-ND2 3.16Å; S519-N568 PolarHBondContact OG-ND2 2.95Å
520	P	94.6	Very high	92.5	Very high	46 Å²	46	33.4 Å²	33.4	30%	0.299	22%	0.215	S	C	.	.			trans	-51.2	125.9	-178.3	-27.5	34.3	0	0	0	113.1	L541	P520-L541 HydrophobicContact CG-CD1 4.02Å
521	C	91.3	Very high	92.9	Very high	40 Å²	40	38.8 Å²	38.8	27%	0.27	23%	0.231	S	C	.	.			trans	-87.2	-2.8	-173.9	69.6	0	0	0	0	114.1	S519 D523 L524 S525 N568 V569	S519-C521 PolarHBondContact O-N 3.32Å; C521-D523 PolarHBondContact O-N 3.2Å; C521-L524 PolarHBondContact O-N 2.83Å; C521-L524 VanDerWaalsContact O-N 3.14Å; C521-S525 WeakPolarHBondContact O-CB 3.07Å; C521-S525 PolarHBondContact O-N 3.29Å; C521-N568 VanDerWaalsContact CB-OD1 3.25Å; C521-N568 WeakPolarHBondContact CB-OD1 3.17Å; C521-V569 HydrophobicContact CB-CB 4.24Å; C521-V569 HydrophobicContact CB-CG1 3.48Å; C521-V569 VanDerWaalsContact CB-CG1 3.48Å; C521-V569 HydrophobicContact CB-CG2 3.79Å; C521-V569 VanDerWaalsContact SG-CG1 3.53Å
522	N	90.2	Very high	92.8	Very high	68 Å²	68	42.3 Å²	42.3	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.7	-170.9	-75.2	78.3	0	0	0	113.1	N528	N522-N528 WeakPolarHBondContact O-CB 3.39Å; N522-N528 PolarHBondContact O-ND2 3.04Å
523	D	92.2	Very high	92.5	Very high	18 Å²	18	42.9 Å²	42.9	10%	0.096	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.9	179.1	-73.6	-50.6	0	0	0	113.7	C521 R531 K532 G533 T538	C521-D523 PolarHBondContact O-N 3.2Å; D523-R531 WeakPolarHBondContact O-CB 3.34Å; D523-K532 HydrophobicContact CB-CB 4.21Å; D523-K532 PolarHBondContact OD1-N 3.14Å; D523-G533 VanDerWaalsContact O-CA 3.3Å; D523-G533 WeakPolarHBondContact O-CA 3.29Å; D523-G533 PolarHBondContact O-N 3.17Å; D523-T538 PolarHBondContact OD2-N 2.84Å; D523-T538 PolarHBondContact OD2-OG1 2.85Å
524	L	90.8	Very high	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-29.2	174.8	-61.5	179.7	0	0	0	112.1	C521 I526 L534 M572	C521-L524 PolarHBondContact O-N 2.83Å; C521-L524 VanDerWaalsContact O-N 3.14Å; L524-I526 PolarHBondContact O-N 3.41Å; L524-L534 HydrophobicContact CD2-CB 3.97Å; L524-L534 HydrophobicContact CD2-CD1 3.79Å; L524-M572 HydrophobicContact CB-CB 4.41Å; L524-M572 WeakPolarHBondContact O-CA 3.48Å
525	S	89.5	Confident	92.2	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.084	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-74.6	126.3	-169.8	-166	0	0	0	0	112.8	C521 V527 N528 A571	C521-S525 WeakPolarHBondContact O-CB 3.07Å; C521-S525 PolarHBondContact O-N 3.29Å; S525-V527 PolarHBondContact O-N 2.83Å; S525-V527 VanDerWaalsContact OG-CG2 3.29Å; S525-V527 WeakPolarHBondContact OG-CG2 2.94Å; S525-N528 WeakPolarHBondContact O-CB 3.43Å; S525-N528 PolarHBondContact O-N 3.28Å; S525-A571 CarbonylContact C-O 3.49Å; S525-A571 VanDerWaalsContact CA-O 3.22Å; S525-A571 WeakPolarHBondContact CA-O 3.25Å; S525-A571 PolarHBondContact OG-O 3.25Å
526	I	85.3	Confident	91.8	Very high	88 Å²	88	53.1 Å²	53.1	45%	0.451	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.2	178.4	68.5	-179.5	0	0	0	112.8	L524 N528 A571	L524-I526 PolarHBondContact O-N 3.41Å; I526-N528 PolarHBondContact O-N 2.82Å; I526-A571 HydrophobicContact CG1-CB 4.17Å; I526-A571 WeakPolarHBondContact CG1-O 3.48Å; I526-A571 PolarHBondContact N-O 2.86Å
527	V	83.9	Confident	91.6	Very high	109 Å²	109	54.2 Å²	54.2	66%	0.661	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.3	176.1	-55.4	0	0	0	0	112.9	S525 P529	S525-V527 PolarHBondContact O-N 2.83Å; S525-V527 VanDerWaalsContact OG-CG2 3.29Å; S525-V527 WeakPolarHBondContact OG-CG2 2.94Å; V527-P529 WeakPolarHBondContact O-CD 3.49Å
528	N	86.9	Confident	91.4	Very high	23 Å²	23	56.5 Å²	56.5	12%	0.123	31%	0.314	C	S	.	.			trans	-92.2	112.7	171.4	-178	19	0	0	0	109.7	N522 S525 I526 A530 R531	N522-N528 WeakPolarHBondContact O-CB 3.39Å; N522-N528 PolarHBondContact O-ND2 3.04Å; S525-N528 WeakPolarHBondContact O-CB 3.43Å; S525-N528 PolarHBondContact O-N 3.28Å; I526-N528 PolarHBondContact O-N 2.82Å; N528-A530 PolarHBondContact O-N 2.91Å; N528-A530 PolarHBondContact OD1-N 2.78Å; N528-A530 VanDerWaalsContact OD1-N 3.16Å; N528-R531 HydrophobicContact CB-CB 4.3Å; N528-R531 VanDerWaalsContact O-CB 3.3Å; N528-R531 WeakPolarHBondContact O-CB 3.36Å; N528-R531 WeakPolarHBondContact O-CG 3.46Å; N528-R531 PolarHBondContact O-N 2.97Å
529	P	84.9	Confident	91.2	Very high	117 Å²	117	55.8 Å²	55.8	76%	0.76	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.9	176.6	-21.4	33.8	0	0	0	112.9	V527 R531	V527-P529 WeakPolarHBondContact O-CD 3.49Å; P529-R531 VanDerWaalsContact C-N 3.27Å; P529-R531 PolarHBondContact O-N 2.85Å
530	A	90.1	Very high	91.3	Very high	72 Å²	72	61 Å²	61	60%	0.595	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	18.7	179.8	0	0	0	0	0	113	N528	N528-A530 PolarHBondContact O-N 2.91Å; N528-A530 PolarHBondContact OD1-N 2.78Å; N528-A530 VanDerWaalsContact OD1-N 3.16Å
531	R	91.2	Very high	91.4	Very high	125 Å²	125	60.2 Å²	60.2	47%	0.472	32%	0.319	S	S	.	.			trans	-61.5	141.4	-178.4	73	-179.6	-172.7	-78.9	-4.2	111	D523 N528 P529	D523-R531 WeakPolarHBondContact O-CB 3.34Å; N528-R531 HydrophobicContact CB-CB 4.3Å; N528-R531 VanDerWaalsContact O-CB 3.3Å; N528-R531 WeakPolarHBondContact O-CB 3.36Å; N528-R531 WeakPolarHBondContact O-CG 3.46Å; N528-R531 PolarHBondContact O-N 2.97Å; P529-R531 VanDerWaalsContact C-N 3.27Å; P529-R531 PolarHBondContact O-N 2.85Å
532	K	93.4	Very high	91.8	Very high	139 Å²	139	58.3 Å²	58.3	60%	0.604	31%	0.306	S	S	*	.			trans	-101.3	-10.9	176	-63	-177.1	176.1	-176.9	0	114.1	D523 E536	D523-K532 HydrophobicContact CB-CB 4.21Å; D523-K532 PolarHBondContact OD1-N 3.14Å; K532-E536 HydrophobicContact CB-CB 3.73Å
533	G	92.4	Very high	92.1	Very high	13 Å²	13	57.2 Å²	57.2	13%	0.134	30%	0.298	C	S	.	.			trans	82.4	-176.2	-178.3	0	0	0	0	0	113.4	D523 Y535	D523-G533 VanDerWaalsContact O-CA 3.3Å; D523-G533 WeakPolarHBondContact O-CA 3.29Å; D523-G533 PolarHBondContact O-N 3.17Å; G533-Y535 PolarHBondContact O-N 3.26Å
534	L	95.4	Very high	92.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.5	-174.4	-174.8	63.2	0	0	0	114.5	L524 G539 R540 F542 F543 D576 D579 I580	L524-L534 HydrophobicContact CD2-CB 3.97Å; L524-L534 HydrophobicContact CD2-CD1 3.79Å; L534-G539 CarbonylContact O-C 3.6Å; L534-R540 VanDerWaalsContact O-CA 3.27Å; L534-R540 WeakPolarHBondContact O-CA 3.39Å; L534-R540 PolarHBondContact O-N 2.88Å; L534-F542 HydrophobicContact CD1-CB 3.82Å; L534-F542 HydrophobicContact CD1-CD1 3.75Å; L534-F542 HydrophobicContact CD1-CG 3.96Å; L534-F542 HydrophobicContact CD2-CD1 4.4Å; L534-F542 HydrophobicContact CG-CD1 4.39Å; L534-F543 HydrophobicContact CD2-CZ 4.15Å; L534-F543 HydrophobicContact CG-CE2 4.19Å; L534-F543 HydrophobicContact CG-CZ 4.01Å; L534-D576 HydrophobicContact CB-CB 4.23Å; L534-D576 WeakPolarHBondContact CB-OD1 3.34Å; L534-D576 PolarHBondContact N-OD1 2.97Å; L534-D579 HydrophobicContact CD2-CB 3.9Å; L534-I580 HydrophobicContact CD1-CD1 4.03Å; L534-I580 HydrophobicContact CD1-CG1 3.92Å; L534-I580 HydrophobicContact CD2-CG1 3.97Å
535	Y	95.1	Very high	92.8	Very high	123 Å²	123	58.3 Å²	58.3	48%	0.482	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.9	-171.7	-61.2	-85.5	0	0	0	113.7	G533 F543 D579	G533-Y535 PolarHBondContact O-N 3.26Å; Y535-F543 AromaticContact CD1-CE2 3.85Å; Y535-F543 HydrophobicContact CD1-CE2 3.85Å; Y535-F543 AromaticContact CD1-CZ 3.75Å; Y535-F543 HydrophobicContact CD1-CZ 3.75Å; Y535-F543 HydrophobicContact CE1-CE1 4.5Å; Y535-F543 HydrophobicContact CE1-CE2 4.15Å; Y535-F543 AromaticContact CE1-CZ 3.55Å; Y535-F543 HydrophobicContact CE1-CZ 3.55Å; Y535-D579 PolarHBondContact OH-OD2 3.08Å
536	E	92.1	Very high	93.3	Very high	103 Å²	103	61.2 Å²	61.2	48%	0.481	31%	0.312	S	S	.	.	S	Bend	trans	-132.3	168.2	-173.6	-73.2	-65.9	174.5	0	0	112.4	K532 T538 G539 R540	K532-E536 HydrophobicContact CB-CB 3.73Å; E536-T538 PolarHBondContact O-N 2.84Å; E536-G539 PolarHBondContact O-N 3.36Å; E536-R540 IonicContact OE2-CZ 2.85Å; E536-R540 IonicContact OE2-NH2 3.63Å; E536-R540 PolarHBondContact OE2-NH2 2.81Å
537	G	93.9	Very high	93.9	Very high	23 Å²	23	61 Å²	61	24%	0.237	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-131.6	178.9	0	0	0	0	0	113	R540	G537-R540 WeakPolarHBondContact O-CG 3.3Å; G537-R540 PolarHBondContact O-NE 2.96Å
538	T	93.1	Very high	94.6	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.294	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-13.2	175.1	57.2	0	0	0	0	113.4	D523 E536 R540 L541	D523-T538 PolarHBondContact OD2-N 2.84Å; D523-T538 PolarHBondContact OD2-OG1 2.85Å; E536-T538 PolarHBondContact O-N 2.84Å; T538-R540 PolarHBondContact O-N 2.85Å; T538-L541 WeakPolarHBondContact O-CB 3.3Å; T538-L541 WeakPolarHBondContact O-CG 3.46Å; T538-L541 PolarHBondContact O-N 3.49Å
539	G	93.7	Very high	95.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.7	176.4	0	0	0	0	0	112	L534 E536 L541 F542	L534-G539 CarbonylContact O-C 3.6Å; E536-G539 PolarHBondContact O-N 3.36Å; G539-L541 PolarHBondContact O-N 3.23Å; G539-F542 WeakPolarHBondContact O-CB 3.29Å; G539-F542 PolarHBondContact O-N 3.43Å; G539-F542 VanDerWaalsContact O-N 3.09Å
540	R	96.6	Very high	95.6	Very high	114 Å²	114	54.7 Å²	54.7	43%	0.43	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.1	179.8	75.6	-179.4	67.7	157.6	-1.9	114.1	L534 E536 G537 T538 F542 F543	L534-R540 VanDerWaalsContact O-CA 3.27Å; L534-R540 WeakPolarHBondContact O-CA 3.39Å; L534-R540 PolarHBondContact O-N 2.88Å; E536-R540 IonicContact OE2-CZ 2.85Å; E536-R540 IonicContact OE2-NH2 3.63Å; E536-R540 PolarHBondContact OE2-NH2 2.81Å; G537-R540 WeakPolarHBondContact O-CG 3.3Å; G537-R540 PolarHBondContact O-NE 2.96Å; T538-R540 PolarHBondContact O-N 2.85Å; R540-F542 PolarHBondContact O-N 2.99Å; R540-F543 HydrophobicContact CB-CD2 4.28Å; R540-F543 WeakPolarHBondContact O-CB 3.22Å; R540-F543 WeakPolarHBondContact O-CD2 3.45Å; R540-F543 PolarHBondContact O-N 3.24Å
541	L	97.9	Very high	95.9	Very high	29 Å²	29	53.1 Å²	53.1	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-18.6	177.6	-65.7	176.2	0	0	0	112.3	F451 V498 R499 P520 T538 G539 F543 E544 F545	F451-L541 HydrophobicContact CE1-CB 3.84Å; F451-L541 HydrophobicContact CE1-CD1 4.09Å; F451-L541 HydrophobicContact CE1-CD2 4.43Å; F451-L541 HydrophobicContact CE1-CG 4.35Å; F451-L541 HydrophobicContact CZ-CB 3.78Å; F451-L541 WeakPolarHBondContact CZ-O 3.48Å; V498-L541 HydrophobicContact CG1-CD2 4.2Å; R499-L541 HydrophobicContact CG-CD2 4.33Å; P520-L541 HydrophobicContact CG-CD1 4.02Å; T538-L541 WeakPolarHBondContact O-CB 3.3Å; T538-L541 WeakPolarHBondContact O-CG 3.46Å; T538-L541 PolarHBondContact O-N 3.49Å; G539-L541 PolarHBondContact O-N 3.23Å; L541-F543 PolarHBondContact O-N 3.41Å; L541-E544 HydrophobicContact CD2-CG 4.36Å; L541-E544 WeakPolarHBondContact O-CB 3.36Å; L541-E544 PolarHBondContact O-N 2.76Å; L541-E544 VanDerWaalsContact O-N 3.17Å; L541-F545 PolarHBondContact O-N 3.39Å
542	F	98.4	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.1	-41.8	165.3	164.9	-108.4	0	0	0	112.2	L534 G539 R540 E544 F545 Y546 F566 I580 F583 L584	L534-F542 HydrophobicContact CD1-CB 3.82Å; L534-F542 HydrophobicContact CD1-CD1 3.75Å; L534-F542 HydrophobicContact CD1-CG 3.96Å; L534-F542 HydrophobicContact CD2-CD1 4.4Å; L534-F542 HydrophobicContact CG-CD1 4.39Å; G539-F542 WeakPolarHBondContact O-CB 3.29Å; G539-F542 PolarHBondContact O-N 3.43Å; G539-F542 VanDerWaalsContact O-N 3.09Å; R540-F542 PolarHBondContact O-N 2.99Å; F542-E544 PolarHBondContact O-N 3.45Å; F542-F545 WeakPolarHBondContact O-CB 3.45Å; F542-F545 PolarHBondContact O-N 3.47Å; F542-F545 VanDerWaalsContact O-N 3.09Å; F542-Y546 PolarHBondContact O-N 3.04Å; F542-F566 HydrophobicContact CB-CZ 4.42Å; F542-F566 HydrophobicContact CD2-CD1 4.31Å; F542-F566 AromaticContact CD2-CE1 3.7Å; F542-F566 HydrophobicContact CD2-CE1 3.7Å; F542-F566 AromaticContact CD2-CE2 3.96Å; F542-F566 HydrophobicContact CD2-CE2 3.96Å; F542-F566 AromaticContact CD2-CZ 3.5Å; F542-F566 HydrophobicContact CD2-CZ 3.5Å; F542-F566 HydrophobicContact CE2-CD1 4.3Å; F542-F566 HydrophobicContact CE2-CE1 4.06Å; F542-F566 HydrophobicContact CE2-CZ 4.27Å; F542-F566 HydrophobicContact CG-CZ 4.4Å; F542-I580 HydrophobicContact CD1-CG1 4.13Å; F542-I580 HydrophobicContact CD2-CG1 4.18Å; F542-I580 HydrophobicContact CD2-CG2 4.4Å; F542-I580 HydrophobicContact CE1-CB 4.49Å; F542-I580 HydrophobicContact CE1-CG1 4Å; F542-I580 HydrophobicContact CE2-CB 4.28Å; F542-I580 HydrophobicContact CE2-CG1 4.06Å; F542-I580 HydrophobicContact CE2-CG2 3.71Å; F542-I580 HydrophobicContact CG-CG1 4.2Å; F542-I580 HydrophobicContact CZ-CB 4.08Å; F542-I580 HydrophobicContact CZ-CG1 3.96Å; F542-I580 HydrophobicContact CZ-CG2 3.9Å; F542-F583 HydrophobicContact CE1-CB 3.85Å; F542-F583 HydrophobicContact CE1-CD2 4.18Å; F542-F583 HydrophobicContact CE1-CG 4.09Å; F542-F583 HydrophobicContact CZ-CB 3.75Å; F542-F583 HydrophobicContact CZ-CG 4.49Å; F542-L584 HydrophobicContact CE2-CD1 3.93Å; F542-L584 HydrophobicContact CE2-CD2 4.14Å; F542-L584 HydrophobicContact CE2-CG 3.93Å; F542-L584 HydrophobicContact CZ-CD1 4.4Å; F542-L584 HydrophobicContact CZ-CD2 4.31Å; F542-L584 HydrophobicContact CZ-CG 3.98Å
543	F	98.3	Very high	96.3	Very high	45 Å²	45	45.9 Å²	45.9	20%	0.197	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-24.6	-178.8	-61.4	-64.8	0	0	0	112.8	L534 Y535 R540 L541 Y546 R547 F583	L534-F543 HydrophobicContact CD2-CZ 4.15Å; L534-F543 HydrophobicContact CG-CE2 4.19Å; L534-F543 HydrophobicContact CG-CZ 4.01Å; Y535-F543 AromaticContact CD1-CE2 3.85Å; Y535-F543 HydrophobicContact CD1-CE2 3.85Å; Y535-F543 AromaticContact CD1-CZ 3.75Å; Y535-F543 HydrophobicContact CD1-CZ 3.75Å; Y535-F543 HydrophobicContact CE1-CE1 4.5Å; Y535-F543 HydrophobicContact CE1-CE2 4.15Å; Y535-F543 AromaticContact CE1-CZ 3.55Å; Y535-F543 HydrophobicContact CE1-CZ 3.55Å; R540-F543 HydrophobicContact CB-CD2 4.28Å; R540-F543 WeakPolarHBondContact O-CB 3.22Å; R540-F543 WeakPolarHBondContact O-CD2 3.45Å; R540-F543 PolarHBondContact O-N 3.24Å; L541-F543 PolarHBondContact O-N 3.41Å; F543-Y546 PolarHBondContact O-N 3.19Å; F543-R547 VanDerWaalsContact O-CB 3.28Å; F543-R547 WeakPolarHBondContact O-CB 3.5Å; F543-R547 PolarHBondContact O-N 3.23Å; F543-F583 HydrophobicContact CD1-CE1 4.3Å; F543-F583 HydrophobicContact CD1-CZ 4.37Å; F543-F583 HydrophobicContact CE1-CD1 4.29Å; F543-F583 AromaticContact CE1-CD2 3.89Å; F543-F583 HydrophobicContact CE1-CD2 3.89Å; F543-F583 AromaticContact CE1-CE1 3.97Å; F543-F583 HydrophobicContact CE1-CE1 3.97Å; F543-F583 AromaticContact CE1-CE2 3.58Å; F543-F583 HydrophobicContact CE1-CE2 3.58Å; F543-F583 HydrophobicContact CE1-CG 4.26Å; F543-F583 AromaticContact CE1-CZ 3.61Å; F543-F583 HydrophobicContact CE1-CZ 3.61Å; F543-F583 HydrophobicContact CZ-CE2 4.24Å; F543-F583 HydrophobicContact CZ-CZ 4.46Å
544	E	98.5	Very high	96.4	Very high	41 Å²	41	46.1 Å²	46.1	19%	0.192	21%	0.209	C	C	.	.	H	α-helix	trans	-71.2	-38.1	172.1	-60.3	-61.2	159.1	0	0	111.5	V498 R499 L541 F542 R547 L548	V498-E544 HydrophobicContact CG1-CB 3.79Å; V498-E544 HydrophobicContact CG1-CG 3.99Å; V498-E544 HydrophobicContact CG2-CB 3.92Å; R499-E544 HydrophobicContact CG-CG 3.95Å; L541-E544 HydrophobicContact CD2-CG 4.36Å; L541-E544 WeakPolarHBondContact O-CB 3.36Å; L541-E544 PolarHBondContact O-N 2.76Å; L541-E544 VanDerWaalsContact O-N 3.17Å; F542-E544 PolarHBondContact O-N 3.45Å; E544-R547 IonicContact OE2-CZ 3.47Å; E544-R547 VanDerWaalsContact OE2-CZ 3.28Å; E544-R547 IonicContact OE2-NE 3.57Å; E544-R547 PolarHBondContact OE2-NE 2.96Å; E544-R547 IonicContact OE2-NH2 2.68Å; E544-R547 PolarHBondContact OE2-NH2 2.88Å; E544-L548 WeakPolarHBondContact O-CB 3.5Å; E544-L548 WeakPolarHBondContact O-CG 3.22Å; E544-L548 PolarHBondContact O-N 3.39Å
545	F	98.7	Very high	96.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-50	169.8	177.4	-89.1	0	0	0	110.7	L450 F451 V515 L541 F542 R547 L548 L549 W564 F566 L584	L450-F545 HydrophobicContact CB-CD2 4.39Å; L450-F545 HydrophobicContact CD1-CB 4.45Å; L450-F545 HydrophobicContact CD1-CD2 3.87Å; F451-F545 HydrophobicContact CE2-CB 4.23Å; V515-F545 HydrophobicContact CG1-CE2 4.06Å; V515-F545 HydrophobicContact CG1-CZ 4.42Å; L541-F545 PolarHBondContact O-N 3.39Å; F542-F545 WeakPolarHBondContact O-CB 3.45Å; F542-F545 PolarHBondContact O-N 3.47Å; F542-F545 VanDerWaalsContact O-N 3.09Å; F545-R547 PolarHBondContact O-N 2.94Å; F545-L548 PolarHBondContact O-N 2.7Å; F545-L549 HydrophobicContact CE1-CB 4.3Å; F545-L549 HydrophobicContact CE1-CD2 3.83Å; F545-L549 HydrophobicContact CZ-CD2 4.39Å; F545-L549 WeakPolarHBondContact O-CB 3.2Å; F545-L549 PolarHBondContact O-N 2.58Å; F545-W564 HydrophobicContact CE1-CE3 4.18Å; F545-W564 HydrophobicContact CZ-CE3 4.2Å; F545-F566 HydrophobicContact CB-CD2 4.25Å; F545-F566 HydrophobicContact CB-CE2 4.28Å; F545-F566 HydrophobicContact CD1-CB 4.18Å; F545-F566 AromaticContact CD1-CD2 3.64Å; F545-F566 HydrophobicContact CD1-CD2 3.64Å; F545-F566 HydrophobicContact CD1-CE2 4.39Å; F545-F566 HydrophobicContact CD1-CG 4.12Å; F545-F566 AromaticContact CD2-CD2 3.96Å; F545-F566 HydrophobicContact CD2-CD2 3.96Å; F545-F566 HydrophobicContact CE1-CB 3.63Å; F545-F566 AromaticContact CE1-CD2 3.94Å; F545-F566 HydrophobicContact CE1-CD2 3.94Å; F545-F566 HydrophobicContact CE1-CG 4.09Å; F545-F566 HydrophobicContact CE2-CB 4.48Å; F545-F566 HydrophobicContact CE2-CD2 4.24Å; F545-F566 AromaticContact CG-CD2 3.66Å; F545-F566 HydrophobicContact CG-CD2 3.66Å; F545-F566 HydrophobicContact CG-CE2 4.19Å; F545-F566 HydrophobicContact CZ-CB 3.81Å; F545-F566 HydrophobicContact CZ-CD2 4.23Å; F545-F566 HydrophobicContact CZ-CG 4.48Å; F545-L584 HydrophobicContact CD1-CD2 4.4Å; F545-L584 HydrophobicContact CE1-CD2 4.2Å
546	Y	98.4	Very high	95.9	Very high	74 Å²	74	58.2 Å²	58.2	29%	0.29	27%	0.267	S	S	.	.	H	α-helix	trans	-57.5	-46.7	179	172.4	-106.7	0	0	0	112.2	F542 F543 L549 H550 F583 L584	F542-Y546 PolarHBondContact O-N 3.04Å; F543-Y546 PolarHBondContact O-N 3.19Å; Y546-L549 PolarHBondContact O-N 3.36Å; Y546-H550 PolarHBondContact O-N 2.97Å; Y546-H550 VanDerWaalsContact O-N 3.08Å; Y546-F583 HydrophobicContact CD1-CD1 4.09Å; Y546-F583 HydrophobicContact CD2-CB 4.28Å; Y546-F583 WeakPolarHBondContact CD2-O 3.33Å; Y546-F583 AromaticContact CE1-CD1 3.92Å; Y546-F583 HydrophobicContact CE1-CD1 3.92Å; Y546-F583 HydrophobicContact CE1-CE1 4.44Å; Y546-F583 HydrophobicContact CE2-CB 4.44Å; Y546-F583 HydrophobicContact CE2-CD1 4.41Å; Y546-F583 WeakPolarHBondContact CE2-O 3.5Å; Y546-F583 HydrophobicContact CG-CD1 4.39Å; Y546-L584 HydrophobicContact CD2-CD2 4.38Å
547	R	98.3	Very high	95.7	Very high	83 Å²	83	56.7 Å²	56.7	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-52.5	177.7	-177.1	176.4	68.9	95.4	-2.7	111.7	V501 F543 E544 F545 H550 D551	V501-R547 PolarHBondContact O-NH1 3.21Å; V501-R547 PolarHBondContact O-NH2 3.1Å; F543-R547 VanDerWaalsContact O-CB 3.28Å; F543-R547 WeakPolarHBondContact O-CB 3.5Å; F543-R547 PolarHBondContact O-N 3.23Å; E544-R547 IonicContact OE2-CZ 3.47Å; E544-R547 VanDerWaalsContact OE2-CZ 3.28Å; E544-R547 IonicContact OE2-NE 3.57Å; E544-R547 PolarHBondContact OE2-NE 2.96Å; E544-R547 IonicContact OE2-NH2 2.68Å; E544-R547 PolarHBondContact OE2-NH2 2.88Å; F545-R547 PolarHBondContact O-N 2.94Å; R547-H550 WeakPolarHBondContact O-CB 3.29Å; R547-H550 PolarHBondContact O-N 2.96Å; R547-D551 PolarHBondContact O-N 3.03Å
548	L	98.4	Very high	95.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.2	-28.6	-176.6	-63.6	179.8	0	0	0	112.9	L450 V498 V501 I506 E544 F545 H550 D551 A552	L450-L548 HydrophobicContact CD1-CB 3.89Å; L450-L548 HydrophobicContact CD1-CD1 3.85Å; L450-L548 HydrophobicContact CD1-CG 4.47Å; L450-L548 HydrophobicContact CD2-CD1 3.85Å; V498-L548 HydrophobicContact CG2-CD1 3.49Å; V498-L548 VanDerWaalsContact CG2-CD1 3.49Å; V501-L548 HydrophobicContact CB-CD1 3.9Å; V501-L548 HydrophobicContact CB-CD2 4.12Å; V501-L548 HydrophobicContact CG1-CD1 3.99Å; V501-L548 HydrophobicContact CG1-CD2 3.79Å; I506-L548 HydrophobicContact CD1-CD2 4.19Å; I506-L548 HydrophobicContact CG1-CD2 3.99Å; E544-L548 WeakPolarHBondContact O-CB 3.5Å; E544-L548 WeakPolarHBondContact O-CG 3.22Å; E544-L548 PolarHBondContact O-N 3.39Å; F545-L548 PolarHBondContact O-N 2.7Å; L548-H550 VanDerWaalsContact C-N 3.32Å; L548-D551 PolarHBondContact O-N 3.02Å; L548-A552 VanDerWaalsContact O-CB 3.3Å; L548-A552 WeakPolarHBondContact O-CB 3.46Å; L548-A552 PolarHBondContact O-N 3.28Å
549	L	97.9	Very high	95.4	Very high	2 Å²	2	62 Å²	62	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-43.7	169.9	173.8	61.5	0	0	0	110.8	V515 F545 Y546 A552 R553 F562 W564 L584	V515-L549 HydrophobicContact CB-CD1 4.09Å; V515-L549 HydrophobicContact CG1-CD1 4.31Å; V515-L549 HydrophobicContact CG2-CD1 4.42Å; F545-L549 HydrophobicContact CE1-CB 4.3Å; F545-L549 HydrophobicContact CE1-CD2 3.83Å; F545-L549 HydrophobicContact CZ-CD2 4.39Å; F545-L549 WeakPolarHBondContact O-CB 3.2Å; F545-L549 PolarHBondContact O-N 2.58Å; Y546-L549 PolarHBondContact O-N 3.36Å; L549-A552 PolarHBondContact O-N 3.42Å; L549-R553 WeakPolarHBondContact O-CB 3.45Å; L549-R553 PolarHBondContact O-N 3.11Å; L549-R553 VanDerWaalsContact O-N 3.13Å; L549-F562 HydrophobicContact CD1-CE1 3.86Å; L549-F562 HydrophobicContact CD1-CZ 3.88Å; L549-W564 HydrophobicContact CD1-CB 3.44Å; L549-W564 VanDerWaalsContact CD1-CB 3.44Å; L549-W564 HydrophobicContact CD1-CD2 4.29Å; L549-W564 HydrophobicContact CD1-CG 3.66Å; L549-W564 HydrophobicContact CD2-CB 4.47Å; L549-W564 HydrophobicContact CD2-CD2 3.78Å; L549-W564 HydrophobicContact CD2-CE3 3.89Å; L549-W564 HydrophobicContact CD2-CG 4.04Å; L549-W564 HydrophobicContact CD2-CZ3 4.48Å; L549-L584 HydrophobicContact CD2-CD2 4.17Å
550	H	95.8	Very high	95.4	Very high	115 Å²	115	64 Å²	64	53%	0.532	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-43.8	176.2	-170.5	79.5	0	0	0	111.5	Y546 R547 L548 A552 R553	Y546-H550 PolarHBondContact O-N 2.97Å; Y546-H550 VanDerWaalsContact O-N 3.08Å; R547-H550 WeakPolarHBondContact O-CB 3.29Å; R547-H550 PolarHBondContact O-N 2.96Å; L548-H550 VanDerWaalsContact C-N 3.32Å; H550-A552 VanDerWaalsContact C-N 3.3Å; H550-A552 PolarHBondContact O-N 3.47Å; H550-R553 WeakPolarHBondContact O-CB 3.4Å; H550-R553 PolarHBondContact O-N 3.15Å
551	D	96.6	Very high	95.4	Very high	38 Å²	38	59.8 Å²	59.8	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-33.3	178	-71.8	-18.5	0	0	0	113.2	Q503 I506 R547 L548	Q503-D551 HydrophobicContact CG-CB 4.27Å; I506-D551 HydrophobicContact CB-CB 4.29Å; I506-D551 HydrophobicContact CG1-CB 4.15Å; I506-D551 HydrophobicContact CG2-CB 4.16Å; R547-D551 PolarHBondContact O-N 3.03Å; L548-D551 PolarHBondContact O-N 3.02Å
552	A	96.9	Very high	95.3	Very high	6 Å²	6	58.5 Å²	58.5	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-86.6	-14.8	-179.3	0	0	0	0	0	114	I506 F512 V515 L548 L549 H550 R560 F562	I506-A552 HydrophobicContact CG2-CB 3.86Å; F512-A552 HydrophobicContact CD2-CB 4.22Å; V515-A552 HydrophobicContact CG2-CB 3.8Å; L548-A552 VanDerWaalsContact O-CB 3.3Å; L548-A552 WeakPolarHBondContact O-CB 3.46Å; L548-A552 PolarHBondContact O-N 3.28Å; L549-A552 PolarHBondContact O-N 3.42Å; H550-A552 VanDerWaalsContact C-N 3.3Å; H550-A552 PolarHBondContact O-N 3.47Å; A552-R560 PolarHBondContact O-NH2 2.87Å; A552-F562 HydrophobicContact CB-CE2 4.4Å; A552-F562 HydrophobicContact CB-CZ 4.37Å; A552-F562 WeakPolarHBondContact O-CE2 3.49Å
553	R	95.1	Very high	95.3	Very high	106 Å²	106	58.5 Å²	58.5	40%	0.4	29%	0.288	S	S	.	.	S	Bend	trans	-63	136.2	-176.8	-169.6	179	-72.2	-169.8	-2.2	110.3	L549 H550 F562	L549-R553 WeakPolarHBondContact O-CB 3.45Å; L549-R553 PolarHBondContact O-N 3.11Å; L549-R553 VanDerWaalsContact O-N 3.13Å; H550-R553 WeakPolarHBondContact O-CB 3.4Å; H550-R553 PolarHBondContact O-N 3.15Å; R553-F562 HydrophobicContact CB-CE1 4.22Å; R553-F562 HydrophobicContact CB-CZ 4.49Å; R553-F562 HydrophobicContact CG-CD1 4.4Å; R553-F562 HydrophobicContact CG-CE1 4.21Å
554	P	94.6	Very high	95.3	Very high	18 Å²	18	57.2 Å²	57.2	12%	0.117	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-56.1	144.8	170.7	-5.3	7.3	0	0	0	111.2	D558 R560 F562	P554-D558 HydrophobicContact CB-CB 3.79Å; P554-R560 HydrophobicContact CB-CG 4.3Å; P554-R560 HydrophobicContact CG-CG 4.07Å; P554-R560 VanDerWaalsContact CG-CZ 3.45Å; P554-F562 HydrophobicContact CG-CB 3.5Å; P554-F562 HydrophobicContact CG-CD1 4.42Å; P554-F562 HydrophobicContact CG-CD2 4.32Å; P554-F562 HydrophobicContact CG-CG 3.85Å
555	K	91.6	Very high	95.3	Very high	173 Å²	173	55.3 Å²	55.3	75%	0.752	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-68.1	157.3	173.2	-62.8	-177.4	-179.4	-177.9	0	109.9	G557 D558	K555-G557 PolarHBondContact O-N 3.28Å; K555-D558 WeakPolarHBondContact O-CB 3.46Å; K555-D558 PolarHBondContact O-N 3.49Å
556	E	88.4	Confident	95.3	Very high	204 Å²	204	55.3 Å²	55.3	95%	0.953	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	135.8	172.5	-67.6	180	178	0	0	110.9	D558	E556-D558 VanDerWaalsContact C-N 3.34Å
557	G	89.3	Confident	95.3	Very high	72 Å²	72	52.6 Å²	52.6	74%	0.742	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-10.8	-172.2	0	0	0	0	0	115.4	K555	K555-G557 PolarHBondContact O-N 3.28Å
558	D	91.6	Very high	95.3	Very high	63 Å²	63	48.7 Å²	48.7	34%	0.337	25%	0.249	S	C	.	.			trans	-87.4	107.6	167.1	-174	-0.2	0	0	0	109.6	K432 P554 K555 E556 R560	K432-D558 PolarHBondContact NZ-O 3.18Å; P554-D558 HydrophobicContact CB-CB 3.79Å; K555-D558 WeakPolarHBondContact O-CB 3.46Å; K555-D558 PolarHBondContact O-N 3.49Å; E556-D558 VanDerWaalsContact C-N 3.34Å; D558-R560 VanDerWaalsContact C-N 3.32Å; D558-R560 WeakPolarHBondContact OD1-CB 3.27Å; D558-R560 WeakPolarHBondContact OD1-CG 3.43Å; D558-R560 PolarHBondContact OD1-N 3.47Å; D558-R560 VanDerWaalsContact OD2-CD 3.32Å; D558-R560 WeakPolarHBondContact OD2-CD 3.19Å; D558-R560 IonicContact OD2-NE 2.84Å; D558-R560 PolarHBondContact OD2-NE 3.5Å
559	D	88.5	Confident	95.1	Very high	118 Å²	118	49.2 Å²	49.2	63%	0.631	25%	0.252	S	S	*	.			trans	-92.5	14.9	-179.2	-69.4	-33.3	0	0	0	113.5	K432	K432-D559 IonicContact NZ-OD1 2.83Å; K432-D559 PolarHBondContact NZ-OD1 3.08Å
560	R	93.8	Very high	94.8	Very high	43 Å²	43	51.2 Å²	51.2	16%	0.162	26%	0.264	C	S	.	.	S	Bend	trans	-58.9	137.9	170.9	76.7	-175.5	166	79.7	-4.9	110.2	Y434 F512 A552 P554 D558 F562	Y434-R560 VanDerWaalsContact CE1-O 3.3Å; Y434-R560 WeakPolarHBondContact CE1-O 3.42Å; F512-R560 PolarHBondContact O-NH1 2.9Å; A552-R560 PolarHBondContact O-NH2 2.87Å; P554-R560 HydrophobicContact CB-CG 4.3Å; P554-R560 HydrophobicContact CG-CG 4.07Å; P554-R560 VanDerWaalsContact CG-CZ 3.45Å; D558-R560 VanDerWaalsContact C-N 3.32Å; D558-R560 WeakPolarHBondContact OD1-CB 3.27Å; D558-R560 WeakPolarHBondContact OD1-CG 3.43Å; D558-R560 PolarHBondContact OD1-N 3.47Å; D558-R560 VanDerWaalsContact OD2-CD 3.32Å; D558-R560 WeakPolarHBondContact OD2-CD 3.19Å; D558-R560 IonicContact OD2-NE 2.84Å; D558-R560 PolarHBondContact OD2-NE 3.5Å; R560-F562 PolarHBondContact O-N 3.39Å
561	P	95.9	Very high	94.6	Very high	25 Å²	25	47.5 Å²	47.5	16%	0.162	25%	0.253	C	S	.	.			trans	-55.2	127.6	171.6	-25.2	34.4	0	0	0	111	Y434 V437 F563 Y719	Y434-P561 HydrophobicContact CG-CB 4.22Å; V437-P561 HydrophobicContact CG2-CG 3.91Å; P561-F563 HydrophobicContact CB-CE2 3.74Å; P561-F563 HydrophobicContact CB-CZ 4.14Å; P561-Y719 HydrophobicContact CB-CD1 4.08Å; P561-Y719 HydrophobicContact CG-CD1 4.13Å
562	F	97.2	Very high	94.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	25%	0.246	C	C	.	.			trans	-137.4	120.8	177.9	177.6	-101.8	0	0	0	110.3	Y434 F512 D513 V515 L549 A552 R553 P554 R560 N608	Y434-F562 WeakPolarHBondContact CE2-O 3.36Å; F512-F562 VanDerWaalsContact O-CD2 3.29Å; F512-F562 WeakPolarHBondContact O-CD2 3.4Å; D513-F562 WeakPolarHBondContact O-CA 3.3Å; V515-F562 HydrophobicContact CB-CZ 4.48Å; V515-F562 HydrophobicContact CG2-CE2 3.78Å; V515-F562 HydrophobicContact CG2-CZ 3.68Å; L549-F562 HydrophobicContact CD1-CE1 3.86Å; L549-F562 HydrophobicContact CD1-CZ 3.88Å; A552-F562 HydrophobicContact CB-CE2 4.4Å; A552-F562 HydrophobicContact CB-CZ 4.37Å; A552-F562 WeakPolarHBondContact O-CE2 3.49Å; R553-F562 HydrophobicContact CB-CE1 4.22Å; R553-F562 HydrophobicContact CB-CZ 4.49Å; R553-F562 HydrophobicContact CG-CD1 4.4Å; R553-F562 HydrophobicContact CG-CE1 4.21Å; P554-F562 HydrophobicContact CG-CB 3.5Å; P554-F562 HydrophobicContact CG-CD1 4.42Å; P554-F562 HydrophobicContact CG-CD2 4.32Å; P554-F562 HydrophobicContact CG-CG 3.85Å; R560-F562 PolarHBondContact O-N 3.39Å; F562-N608 PolarHBondContact O-ND2 2.96Å
563	F	98	Very high	94.1	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152	-175.4	-59.4	-72.3	0	0	0	111.1	Y434 D513 L514 V515 P561 N608 L609 P610 L716 Y719 F720	Y434-F563 HydrophobicContact CD2-CE1 4.02Å; Y434-F563 HydrophobicContact CD2-CZ 4.22Å; D513-F563 PolarHBondContact O-N 2.89Å; L514-F563 CarbonylContact C-O 3.49Å; L514-F563 VanDerWaalsContact CA-O 3.27Å; L514-F563 WeakPolarHBondContact CA-O 3.16Å; L514-F563 HydrophobicContact CD1-CB 3.88Å; V515-F563 PolarHBondContact N-O 3.39Å; P561-F563 HydrophobicContact CB-CE2 3.74Å; P561-F563 HydrophobicContact CB-CZ 4.14Å; F563-N608 VanDerWaalsContact CA-OD1 3.23Å; F563-N608 WeakPolarHBondContact CA-OD1 3.13Å; F563-L609 HydrophobicContact CB-CD2 3.87Å; F563-L609 HydrophobicContact CD1-CD2 4.33Å; F563-L609 HydrophobicContact CG-CD2 4.23Å; F563-P610 HydrophobicContact CE1-CG 3.85Å; F563-P610 HydrophobicContact CZ-CG 4.34Å; F563-L716 HydrophobicContact CB-CD2 4.34Å; F563-L716 HydrophobicContact CD1-CD2 4.39Å; F563-L716 HydrophobicContact CD2-CD2 3.57Å; F563-L716 HydrophobicContact CE2-CD2 3.9Å; F563-L716 HydrophobicContact CG-CD2 3.83Å; F563-L716 HydrophobicContact CZ-CD2 4.44Å; F563-Y719 HydrophobicContact CE2-CD1 4.08Å; F563-Y719 HydrophobicContact CE2-CD2 4.34Å; F563-Y719 AromaticContact CE2-CG 3.95Å; F563-Y719 HydrophobicContact CE2-CG 3.95Å; F563-Y719 AromaticContact CZ-CD1 3.75Å; F563-Y719 HydrophobicContact CZ-CD1 3.75Å; F563-Y719 HydrophobicContact CZ-CD2 4.05Å; F563-Y719 AromaticContact CZ-CE1 3.81Å; F563-Y719 HydrophobicContact CZ-CE1 3.81Å; F563-Y719 HydrophobicContact CZ-CE2 4.13Å; F563-Y719 AromaticContact CZ-CG 3.87Å; F563-Y719 HydrophobicContact CZ-CG 3.87Å; F563-Y719 AromaticContact CZ-CZ 4Å; F563-F720 AromaticContact CD2-CE2 3.82Å; F563-F720 HydrophobicContact CD2-CE2 3.82Å; F563-F720 HydrophobicContact CD2-CZ 4.03Å; F563-F720 AromaticContact CE2-CE2 3.75Å; F563-F720 HydrophobicContact CE2-CE2 3.75Å; F563-F720 AromaticContact CE2-CZ 4Å; F563-F720 HydrophobicContact CE2-CZ 4Å
564	W	98.3	Very high	93.9	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.9	173.5	65.3	-84.8	0	0	0	111.6	V515 F545 L549 F566 L584 S586 W606 G607 N608	V515-W564 HydrophobicContact CB-CB 4.29Å; V515-W564 CarbonylContact O-C 3.44Å; V515-W564 WeakPolarHBondContact O-CA 3.22Å; V515-W564 WeakPolarHBondContact O-CB 3.33Å; F545-W564 HydrophobicContact CE1-CE3 4.18Å; F545-W564 HydrophobicContact CZ-CE3 4.2Å; L549-W564 HydrophobicContact CD1-CB 3.44Å; L549-W564 VanDerWaalsContact CD1-CB 3.44Å; L549-W564 HydrophobicContact CD1-CD2 4.29Å; L549-W564 HydrophobicContact CD1-CG 3.66Å; L549-W564 HydrophobicContact CD2-CB 4.47Å; L549-W564 HydrophobicContact CD2-CD2 3.78Å; L549-W564 HydrophobicContact CD2-CE3 3.89Å; L549-W564 HydrophobicContact CD2-CG 4.04Å; L549-W564 HydrophobicContact CD2-CZ3 4.48Å; W564-F566 HydrophobicContact CZ3-CB 4.25Å; W564-L584 HydrophobicContact CH2-CB 3.86Å; W564-L584 HydrophobicContact CH2-CD1 4.14Å; W564-L584 HydrophobicContact CH2-CD2 4.26Å; W564-L584 HydrophobicContact CH2-CG 4.32Å; W564-L584 HydrophobicContact CZ3-CB 4.39Å; W564-L584 HydrophobicContact CZ3-CD1 3.91Å; W564-L584 HydrophobicContact CZ3-CD2 4.07Å; W564-L584 HydrophobicContact CZ3-CG 4.36Å; W564-S586 WeakPolarHBondContact CH2-OG 3.4Å; W564-W606 HydrophobicContact CH2-CB 3.93Å; W564-W606 HydrophobicContact CZ3-CB 3.83Å; W564-G607 WeakPolarHBondContact O-CA 3.48Å; W564-N608 VanDerWaalsContact CD1-OD1 3.27Å; W564-N608 PolarHBondContact N-OD1 2.92Å; W564-N608 PolarHBondContact O-N 3.05Å; W564-N608 PolarHBondContact O-OD1 3.34Å
565	L	98.7	Very high	93.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	125.8	177.2	-178.2	132.6	0	0	0	110.9	V515 I516 G517 F605 W606 L609 W704 L712	V515-L565 PolarHBondContact O-N 3.35Å; I516-L565 CarbonylContact C-O 3.53Å; I516-L565 VanDerWaalsContact CA-O 3.26Å; I516-L565 WeakPolarHBondContact CA-O 3.23Å; I516-L565 HydrophobicContact CG2-CB 4.1Å; G517-L565 PolarHBondContact N-O 3.29Å; L565-F605 HydrophobicContact CD1-CD1 4.17Å; L565-F605 HydrophobicContact CD2-CD1 4.12Å; L565-F605 HydrophobicContact CG-CD1 4.41Å; L565-W606 CarbonylContact C-O 3.48Å; L565-W606 WeakPolarHBondContact CA-O 3.18Å; L565-L609 HydrophobicContact CB-CD1 4.19Å; L565-L609 HydrophobicContact CD1-CD1 3.39Å; L565-L609 HydrophobicContact CD1-CG 4.39Å; L565-L609 HydrophobicContact CG-CD1 4.42Å; L565-W704 HydrophobicContact CD2-CH2 4.3Å; L565-W704 HydrophobicContact CD2-CZ2 4.39Å; L565-L712 HydrophobicContact CD1-CB 4.38Å; L565-L712 HydrophobicContact CD1-CD1 3.94Å
566	F	98.6	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.7	171.2	-177	-105	0	0	0	110.1	G517 S519 F542 F545 W564 N568 I580 L584 F605 W606	G517-F566 WeakPolarHBondContact O-CA 3.43Å; G517-F566 WeakPolarHBondContact O-CD2 3.44Å; S519-F566 WeakPolarHBondContact OG-CZ 3.33Å; F542-F566 HydrophobicContact CB-CZ 4.42Å; F542-F566 HydrophobicContact CD2-CD1 4.31Å; F542-F566 AromaticContact CD2-CE1 3.7Å; F542-F566 HydrophobicContact CD2-CE1 3.7Å; F542-F566 AromaticContact CD2-CE2 3.96Å; F542-F566 HydrophobicContact CD2-CE2 3.96Å; F542-F566 AromaticContact CD2-CZ 3.5Å; F542-F566 HydrophobicContact CD2-CZ 3.5Å; F542-F566 HydrophobicContact CE2-CD1 4.3Å; F542-F566 HydrophobicContact CE2-CE1 4.06Å; F542-F566 HydrophobicContact CE2-CZ 4.27Å; F542-F566 HydrophobicContact CG-CZ 4.4Å; F545-F566 HydrophobicContact CB-CD2 4.25Å; F545-F566 HydrophobicContact CB-CE2 4.28Å; F545-F566 HydrophobicContact CD1-CB 4.18Å; F545-F566 AromaticContact CD1-CD2 3.64Å; F545-F566 HydrophobicContact CD1-CD2 3.64Å; F545-F566 HydrophobicContact CD1-CE2 4.39Å; F545-F566 HydrophobicContact CD1-CG 4.12Å; F545-F566 AromaticContact CD2-CD2 3.96Å; F545-F566 HydrophobicContact CD2-CD2 3.96Å; F545-F566 HydrophobicContact CE1-CB 3.63Å; F545-F566 AromaticContact CE1-CD2 3.94Å; F545-F566 HydrophobicContact CE1-CD2 3.94Å; F545-F566 HydrophobicContact CE1-CG 4.09Å; F545-F566 HydrophobicContact CE2-CB 4.48Å; F545-F566 HydrophobicContact CE2-CD2 4.24Å; F545-F566 AromaticContact CG-CD2 3.66Å; F545-F566 HydrophobicContact CG-CD2 3.66Å; F545-F566 HydrophobicContact CG-CE2 4.19Å; F545-F566 HydrophobicContact CZ-CB 3.81Å; F545-F566 HydrophobicContact CZ-CD2 4.23Å; F545-F566 HydrophobicContact CZ-CG 4.48Å; W564-F566 HydrophobicContact CZ3-CB 4.25Å; F566-N568 HydrophobicContact CE1-CB 4.16Å; F566-I580 HydrophobicContact CD1-CG2 4.3Å; F566-I580 HydrophobicContact CE1-CD1 4.48Å; F566-I580 HydrophobicContact CE1-CG2 4.2Å; F566-L584 HydrophobicContact CB-CD1 4.05Å; F566-L584 HydrophobicContact CD1-CD1 3.98Å; F566-L584 HydrophobicContact CG-CD1 4.25Å; F566-F605 WeakPolarHBondContact O-CA 3.36Å; F566-W606 HydrophobicContact CB-CB 4.37Å; F566-W606 HydrophobicContact CD1-CD2 4.4Å; F566-W606 AromaticContact CD1-CE3 3.74Å; F566-W606 HydrophobicContact CD1-CE3 3.74Å; F566-W606 HydrophobicContact CD1-CZ3 4.2Å; F566-W606 HydrophobicContact CE1-CE3 4.35Å; F566-W606 HydrophobicContact CE1-CZ3 4.37Å; F566-W606 PolarHBondContact N-O 3.3Å; F566-W606 PolarHBondContact O-N 2.94Å
567	E	98.4	Very high	94.2	Very high	17 Å²	17	35.4 Å²	35.4	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.7	179.4	-179.3	-84.1	151.5	0	0	111.5	G517 G518 R603 Y604 F605 W704	G517-E567 PolarHBondContact O-N 3.1Å; G518-E567 WeakPolarHBondContact CA-O 3.45Å; E567-R603 HydrophobicContact CG-CB 4.24Å; E567-R603 WeakPolarHBondContact OE1-CD 3.38Å; E567-R603 WeakPolarHBondContact OE1-CG 3.13Å; E567-R603 IonicContact OE1-NE 2.83Å; E567-R603 PolarHBondContact OE1-NE 3.02Å; E567-Y604 WeakPolarHBondContact CA-O 3.41Å; E567-F605 HydrophobicContact CB-CD1 3.85Å; E567-F605 HydrophobicContact CB-CE1 3.79Å; E567-F605 HydrophobicContact CG-CD1 3.83Å; E567-F605 HydrophobicContact CG-CE1 3.38Å; E567-F605 HydrophobicContact CG-CZ 3.84Å; E567-W704 HydrophobicContact CB-CZ2 4.23Å; E567-W704 PolarHBondContact OE2-NE1 3.49Å
568	N	97.4	Very high	94.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	176.9	165.3	-138.4	-66.3	0	0	0	113.7	S519 C521 F566 M572 Y604 W606	S519-N568 PolarHBondContact O-ND2 2.97Å; S519-N568 VanDerWaalsContact O-ND2 3.16Å; S519-N568 PolarHBondContact OG-ND2 2.95Å; C521-N568 VanDerWaalsContact CB-OD1 3.25Å; C521-N568 WeakPolarHBondContact CB-OD1 3.17Å; F566-N568 HydrophobicContact CE1-CB 4.16Å; N568-M572 HydrophobicContact CB-CE 3.56Å; N568-Y604 PolarHBondContact N-O 3.35Å; N568-Y604 PolarHBondContact O-N 2.87Å; N568-W606 HydrophobicContact CB-CZ3 4.19Å
569	V	93.8	Very high	94.6	Very high	12 Å²	12	35.5 Å²	35.5	7%	0.073	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.6	-176.4	-63.8	0	0	0	0	113.5	C521 A571 M572	C521-V569 HydrophobicContact CB-CB 4.24Å; C521-V569 HydrophobicContact CB-CG1 3.48Å; C521-V569 VanDerWaalsContact CB-CG1 3.48Å; C521-V569 HydrophobicContact CB-CG2 3.79Å; C521-V569 VanDerWaalsContact SG-CG1 3.53Å; V569-A571 VanDerWaalsContact C-N 3.28Å; V569-A571 PolarHBondContact O-N 3.29Å; V569-M572 HydrophobicContact CG2-CB 4.41Å; V569-M572 WeakPolarHBondContact O-CE 3.4Å
570	V	92.8	Very high	95	Very high	43 Å²	43	29.9 Å²	29.9	26%	0.261	16%	0.163	S	C	.	.	S	Bend	trans	-65.2	-34.1	173.5	169.6	0	0	0	0	112.3	M572 M590 A602 Y604	V570-M572 PolarHBondContact O-N 2.96Å; V570-M590 HydrophobicContact CG2-CG 3.68Å; V570-A602 HydrophobicContact CB-CB 4.3Å; V570-A602 HydrophobicContact CG2-CB 3.91Å; V570-Y604 HydrophobicContact CB-CD2 4.36Å; V570-Y604 HydrophobicContact CB-CE2 4.13Å; V570-Y604 HydrophobicContact CG1-CE2 4.1Å; V570-Y604 HydrophobicContact CG2-CD1 4.02Å; V570-Y604 HydrophobicContact CG2-CD2 4.08Å; V570-Y604 HydrophobicContact CG2-CE1 4.07Å; V570-Y604 HydrophobicContact CG2-CE2 4.14Å; V570-Y604 HydrophobicContact CG2-CG 4.01Å
571	A	91.1	Very high	95.1	Very high	37 Å²	37	28 Å²	28	31%	0.306	16%	0.157	S	C	.	.	S	Bend	trans	-79.7	50.9	180	0	0	0	0	0	112	S525 I526 V569	S525-A571 CarbonylContact C-O 3.49Å; S525-A571 VanDerWaalsContact CA-O 3.22Å; S525-A571 WeakPolarHBondContact CA-O 3.25Å; S525-A571 PolarHBondContact OG-O 3.25Å; I526-A571 HydrophobicContact CG1-CB 4.17Å; I526-A571 WeakPolarHBondContact CG1-O 3.48Å; I526-A571 PolarHBondContact N-O 2.86Å; V569-A571 VanDerWaalsContact C-N 3.28Å; V569-A571 PolarHBondContact O-N 3.29Å
572	M	93.1	Very high	95	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.059	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-103.7	164.8	171.5	65	170.4	69.3	0	0	111.2	L524 N568 V569 V570 K577 I580 Y604 W606	L524-M572 HydrophobicContact CB-CB 4.41Å; L524-M572 WeakPolarHBondContact O-CA 3.48Å; N568-M572 HydrophobicContact CB-CE 3.56Å; V569-M572 HydrophobicContact CG2-CB 4.41Å; V569-M572 WeakPolarHBondContact O-CE 3.4Å; V570-M572 PolarHBondContact O-N 2.96Å; M572-K577 HydrophobicContact CG-CB 4.08Å; M572-K577 VanDerWaalsContact SD-CA 3.5Å; M572-K577 HydrophobicContact SD-CB 3.66Å; M572-K577 HydrophobicContact SD-CG 4.29Å; M572-I580 HydrophobicContact CE-CD1 4.15Å; M572-I580 HydrophobicContact SD-CD1 4.05Å; M572-Y604 HydrophobicContact CE-CD2 4.28Å; M572-Y604 HydrophobicContact CG-CE2 4.49Å; M572-Y604 HydrophobicContact SD-CD2 4.48Å; M572-W606 HydrophobicContact CE-CH2 3.73Å; M572-W606 HydrophobicContact CE-CZ3 4.29Å; M572-W606 HydrophobicContact SD-CH2 4.14Å
573	G	89.5	Confident	95	Very high	14 Å²	14	36.6 Å²	36.6	14%	0.144	19%	0.188	C	C	.	.			trans	-61.3	143.8	175.1	0	0	0	0	0	111.8	S575 D576 K577	G573-S575 VanDerWaalsContact C-N 3.25Å; G573-S575 PolarHBondContact O-N 3.34Å; G573-D576 PolarHBondContact O-N 3.15Å; G573-D576 VanDerWaalsContact O-N 3.12Å; G573-K577 PolarHBondContact O-N 2.69Å
574	V	91.1	Very high	94.8	Very high	126 Å²	126	36.9 Å²	36.9	76%	0.764	19%	0.19	S	C	*	.	H	α-helix	trans	-60.8	-37.2	179.3	-179.9	0	0	0	0	111.3	R578	V574-R578 WeakPolarHBondContact O-CB 3.46Å; V574-R578 PolarHBondContact O-N 2.74Å
575	S	92.1	Very high	94.5	Very high	61 Å²	61	41.9 Å²	41.9	43%	0.427	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-44.8	173.5	52.3	0	0	0	0	112.1	G573 R578 D579	G573-S575 VanDerWaalsContact C-N 3.25Å; G573-S575 PolarHBondContact O-N 3.34Å; S575-R578 PolarHBondContact O-N 3.01Å; S575-D579 WeakPolarHBondContact O-CB 3.22Å; S575-D579 PolarHBondContact O-N 2.63Å
576	D	94.3	Very high	94.1	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-44.8	179.5	-58.7	-42	0	0	0	110.6	L534 G573 R578 D579 I580	L534-D576 HydrophobicContact CB-CB 4.23Å; L534-D576 WeakPolarHBondContact CB-OD1 3.34Å; L534-D576 PolarHBondContact N-OD1 2.97Å; G573-D576 PolarHBondContact O-N 3.15Å; G573-D576 VanDerWaalsContact O-N 3.12Å; D576-R578 PolarHBondContact O-N 2.92Å; D576-D579 PolarHBondContact O-N 3.19Å; D576-I580 WeakPolarHBondContact O-CB 3.47Å; D576-I580 VanDerWaalsContact O-CG1 3.3Å; D576-I580 WeakPolarHBondContact O-CG1 3.43Å; D576-I580 PolarHBondContact O-N 3.43Å
577	K	95.3	Very high	93.7	Very high	64 Å²	64	45.3 Å²	45.3	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-56.1	-50.7	174.9	-177.8	-167.9	174.3	-174.5	0	111.2	M572 G573 D579 I580 S581 P588 Y604 W606	M572-K577 HydrophobicContact CG-CB 4.08Å; M572-K577 VanDerWaalsContact SD-CA 3.5Å; M572-K577 HydrophobicContact SD-CB 3.66Å; M572-K577 HydrophobicContact SD-CG 4.29Å; G573-K577 PolarHBondContact O-N 2.69Å; K577-D579 VanDerWaalsContact C-N 3.34Å; K577-I580 PolarHBondContact O-N 3.22Å; K577-S581 PolarHBondContact O-N 3.37Å; K577-S581 PolarHBondContact O-OG 3.16Å; K577-P588 VanDerWaalsContact CE-CG 3.46Å; K577-P588 HydrophobicContact CG-CG 4.45Å; K577-Y604 HydrophobicContact CD-CE2 3.78Å; K577-Y604 HydrophobicContact CG-CE2 4.22Å; K577-Y604 PolarHBondContact NZ-OH 2.63Å; K577-W606 HydrophobicContact CG-CZ2 4.17Å
578	R	93.4	Very high	93.5	Very high	116 Å²	116	45.5 Å²	45.5	44%	0.438	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-42.5	-179.1	-177.6	-164.3	66.1	-164.2	-4.5	111.3	V574 S575 D576 S581 R582	V574-R578 WeakPolarHBondContact O-CB 3.46Å; V574-R578 PolarHBondContact O-N 2.74Å; S575-R578 PolarHBondContact O-N 3.01Å; D576-R578 PolarHBondContact O-N 2.92Å; R578-S581 PolarHBondContact O-N 2.76Å; R578-R582 VanDerWaalsContact O-CG 3.31Å; R578-R582 WeakPolarHBondContact O-CG 3.47Å; R578-R582 PolarHBondContact O-N 2.93Å
579	D	96	Very high	93.3	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-43.6	-179.7	-69.8	2.6	0	0	0	110.4	L534 Y535 S575 D576 K577 S581 R582 F583	L534-D579 HydrophobicContact CD2-CB 3.9Å; Y535-D579 PolarHBondContact OH-OD2 3.08Å; S575-D579 WeakPolarHBondContact O-CB 3.22Å; S575-D579 PolarHBondContact O-N 2.63Å; D576-D579 PolarHBondContact O-N 3.19Å; K577-D579 VanDerWaalsContact C-N 3.34Å; D579-S581 VanDerWaalsContact C-N 3.34Å; D579-S581 PolarHBondContact O-N 2.85Å; D579-R582 WeakPolarHBondContact O-CB 3.46Å; D579-R582 PolarHBondContact O-N 3.32Å; D579-R582 VanDerWaalsContact O-N 3.11Å; D579-R582 IonicContact OD1-NH1 2.79Å; D579-F583 VanDerWaalsContact O-CD2 3.27Å; D579-F583 WeakPolarHBondContact O-CD2 3.38Å; D579-F583 PolarHBondContact O-N 2.92Å
580	I	97.1	Very high	93.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-48.9	170.9	-70.7	167.7	0	0	0	110.8	L534 F542 F566 M572 D576 K577 R582 F583 L584 W606	L534-I580 HydrophobicContact CD1-CD1 4.03Å; L534-I580 HydrophobicContact CD1-CG1 3.92Å; L534-I580 HydrophobicContact CD2-CG1 3.97Å; F542-I580 HydrophobicContact CD1-CG1 4.13Å; F542-I580 HydrophobicContact CD2-CG1 4.18Å; F542-I580 HydrophobicContact CD2-CG2 4.4Å; F542-I580 HydrophobicContact CE1-CB 4.49Å; F542-I580 HydrophobicContact CE1-CG1 4Å; F542-I580 HydrophobicContact CE2-CB 4.28Å; F542-I580 HydrophobicContact CE2-CG1 4.06Å; F542-I580 HydrophobicContact CE2-CG2 3.71Å; F542-I580 HydrophobicContact CG-CG1 4.2Å; F542-I580 HydrophobicContact CZ-CB 4.08Å; F542-I580 HydrophobicContact CZ-CG1 3.96Å; F542-I580 HydrophobicContact CZ-CG2 3.9Å; F566-I580 HydrophobicContact CD1-CG2 4.3Å; F566-I580 HydrophobicContact CE1-CD1 4.48Å; F566-I580 HydrophobicContact CE1-CG2 4.2Å; M572-I580 HydrophobicContact CE-CD1 4.15Å; M572-I580 HydrophobicContact SD-CD1 4.05Å; D576-I580 WeakPolarHBondContact O-CB 3.47Å; D576-I580 VanDerWaalsContact O-CG1 3.3Å; D576-I580 WeakPolarHBondContact O-CG1 3.43Å; D576-I580 PolarHBondContact O-N 3.43Å; K577-I580 PolarHBondContact O-N 3.22Å; I580-R582 VanDerWaalsContact C-N 3.28Å; I580-R582 PolarHBondContact O-N 3.16Å; I580-F583 PolarHBondContact O-N 3.3Å; I580-L584 HydrophobicContact CG2-CD1 3.75Å; I580-L584 HydrophobicContact CG2-CG 4.38Å; I580-L584 WeakPolarHBondContact O-CB 3.45Å; I580-L584 WeakPolarHBondContact O-CG 3.3Å; I580-L584 PolarHBondContact O-N 2.84Å; I580-W606 HydrophobicContact CB-CZ2 4.19Å; I580-W606 HydrophobicContact CG2-CD2 3.92Å; I580-W606 HydrophobicContact CG2-CE3 4.3Å; I580-W606 HydrophobicContact CG2-CG 4.5Å; I580-W606 HydrophobicContact CG2-CH2 4.07Å; I580-W606 HydrophobicContact CG2-CZ2 3.64Å; I580-W606 HydrophobicContact CG2-CZ3 4.37Å
581	S	94.9	Very high	93.4	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-38	177.1	-68.2	0	0	0	0	112.9	K577 R578 D579 L584 E585 S586 P588 W606	K577-S581 PolarHBondContact O-N 3.37Å; K577-S581 PolarHBondContact O-OG 3.16Å; R578-S581 PolarHBondContact O-N 2.76Å; D579-S581 VanDerWaalsContact C-N 3.34Å; D579-S581 PolarHBondContact O-N 2.85Å; S581-L584 CarbonylContact O-C 3.59Å; S581-E585 WeakPolarHBondContact O-CA 3.44Å; S581-E585 PolarHBondContact O-N 2.92Å; S581-S586 WeakPolarHBondContact CA-O 3.32Å; S581-S586 WeakPolarHBondContact CB-O 3.17Å; S581-S586 PolarHBondContact O-N 2.92Å; S581-S586 PolarHBondContact OG-O 2.79Å; S581-P588 WeakPolarHBondContact OG-CD 3.42Å; S581-W606 PolarHBondContact OG-NE1 3.32Å; S581-W606 VanDerWaalsContact OG-NE1 3.09Å
582	R	94.3	Very high	93.7	Very high	139 Å²	139	48.4 Å²	48.4	53%	0.525	24%	0.243	S	C	.	.	H	α-helix	trans	-67.1	-45	176.7	-74.7	169.7	174.8	-178.1	-6.6	112.3	F428 R578 D579 I580 L584 E585	F428-R582 HydrophobicContact CZ-CG 4.37Å; R578-R582 VanDerWaalsContact O-CG 3.31Å; R578-R582 WeakPolarHBondContact O-CG 3.47Å; R578-R582 PolarHBondContact O-N 2.93Å; D579-R582 WeakPolarHBondContact O-CB 3.46Å; D579-R582 PolarHBondContact O-N 3.32Å; D579-R582 VanDerWaalsContact O-N 3.11Å; D579-R582 IonicContact OD1-NH1 2.79Å; I580-R582 VanDerWaalsContact C-N 3.28Å; I580-R582 PolarHBondContact O-N 3.16Å; R582-L584 VanDerWaalsContact C-N 3.33Å; R582-E585 PolarHBondContact O-N 2.74Å
583	F	96.3	Very high	93.8	Very high	68 Å²	68	48 Å²	48	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-37.8	177.1	-85.2	-81.8	0	0	0	111.9	F542 F543 Y546 D579 I580 E585	F542-F583 HydrophobicContact CE1-CB 3.85Å; F542-F583 HydrophobicContact CE1-CD2 4.18Å; F542-F583 HydrophobicContact CE1-CG 4.09Å; F542-F583 HydrophobicContact CZ-CB 3.75Å; F542-F583 HydrophobicContact CZ-CG 4.49Å; F543-F583 HydrophobicContact CD1-CE1 4.3Å; F543-F583 HydrophobicContact CD1-CZ 4.37Å; F543-F583 HydrophobicContact CE1-CD1 4.29Å; F543-F583 AromaticContact CE1-CD2 3.89Å; F543-F583 HydrophobicContact CE1-CD2 3.89Å; F543-F583 AromaticContact CE1-CE1 3.97Å; F543-F583 HydrophobicContact CE1-CE1 3.97Å; F543-F583 AromaticContact CE1-CE2 3.58Å; F543-F583 HydrophobicContact CE1-CE2 3.58Å; F543-F583 HydrophobicContact CE1-CG 4.26Å; F543-F583 AromaticContact CE1-CZ 3.61Å; F543-F583 HydrophobicContact CE1-CZ 3.61Å; F543-F583 HydrophobicContact CZ-CE2 4.24Å; F543-F583 HydrophobicContact CZ-CZ 4.46Å; Y546-F583 HydrophobicContact CD1-CD1 4.09Å; Y546-F583 HydrophobicContact CD2-CB 4.28Å; Y546-F583 WeakPolarHBondContact CD2-O 3.33Å; Y546-F583 AromaticContact CE1-CD1 3.92Å; Y546-F583 HydrophobicContact CE1-CD1 3.92Å; Y546-F583 HydrophobicContact CE1-CE1 4.44Å; Y546-F583 HydrophobicContact CE2-CB 4.44Å; Y546-F583 HydrophobicContact CE2-CD1 4.41Å; Y546-F583 WeakPolarHBondContact CE2-O 3.5Å; Y546-F583 HydrophobicContact CG-CD1 4.39Å; D579-F583 VanDerWaalsContact O-CD2 3.27Å; D579-F583 WeakPolarHBondContact O-CD2 3.38Å; D579-F583 PolarHBondContact O-N 2.92Å; I580-F583 PolarHBondContact O-N 3.3Å; F583-E585 VanDerWaalsContact C-N 3.33Å
584	L	94.8	Very high	93.9	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.042	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.1	179.3	-63.4	-180	0	0	0	113.8	F542 F545 Y546 L549 W564 F566 I580 S581 R582 S586 W606	F542-L584 HydrophobicContact CE2-CD1 3.93Å; F542-L584 HydrophobicContact CE2-CD2 4.14Å; F542-L584 HydrophobicContact CE2-CG 3.93Å; F542-L584 HydrophobicContact CZ-CD1 4.4Å; F542-L584 HydrophobicContact CZ-CD2 4.31Å; F542-L584 HydrophobicContact CZ-CG 3.98Å; F545-L584 HydrophobicContact CD1-CD2 4.4Å; F545-L584 HydrophobicContact CE1-CD2 4.2Å; Y546-L584 HydrophobicContact CD2-CD2 4.38Å; L549-L584 HydrophobicContact CD2-CD2 4.17Å; W564-L584 HydrophobicContact CH2-CB 3.86Å; W564-L584 HydrophobicContact CH2-CD1 4.14Å; W564-L584 HydrophobicContact CH2-CD2 4.26Å; W564-L584 HydrophobicContact CH2-CG 4.32Å; W564-L584 HydrophobicContact CZ3-CB 4.39Å; W564-L584 HydrophobicContact CZ3-CD1 3.91Å; W564-L584 HydrophobicContact CZ3-CD2 4.07Å; W564-L584 HydrophobicContact CZ3-CG 4.36Å; F566-L584 HydrophobicContact CB-CD1 4.05Å; F566-L584 HydrophobicContact CD1-CD1 3.98Å; F566-L584 HydrophobicContact CG-CD1 4.25Å; I580-L584 HydrophobicContact CG2-CD1 3.75Å; I580-L584 HydrophobicContact CG2-CG 4.38Å; I580-L584 WeakPolarHBondContact O-CB 3.45Å; I580-L584 WeakPolarHBondContact O-CG 3.3Å; I580-L584 PolarHBondContact O-N 2.84Å; S581-L584 CarbonylContact O-C 3.59Å; R582-L584 VanDerWaalsContact C-N 3.33Å; L584-S586 PolarHBondContact O-N 3.11Å; L584-S586 VanDerWaalsContact O-N 3.1Å; L584-S586 PolarHBondContact O-OG 3.03Å; L584-W606 HydrophobicContact CD1-CB 3.56Å; L584-W606 HydrophobicContact CD1-CD2 4.24Å; L584-W606 HydrophobicContact CD1-CG 3.66Å
585	E	92.3	Very high	94	Very high	123 Å²	123	50 Å²	50	58%	0.575	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	39.9	-177.7	-62.5	167.2	-140.6	0	0	112.6	F428 S581 R582 F583	F428-E585 HydrophobicContact CD1-CB 4.49Å; S581-E585 WeakPolarHBondContact O-CA 3.44Å; S581-E585 PolarHBondContact O-N 2.92Å; R582-E585 PolarHBondContact O-N 2.74Å; F583-E585 VanDerWaalsContact C-N 3.33Å
586	S	90	Very high	94	Very high	19 Å²	19	47.2 Å²	47.2	13%	0.133	22%	0.218	C	C	.	.	S	Bend	trans	-159	151.1	-175	53.7	0	0	0	0	112	W564 S581 L584 W606	W564-S586 WeakPolarHBondContact CH2-OG 3.4Å; S581-S586 WeakPolarHBondContact CA-O 3.32Å; S581-S586 WeakPolarHBondContact CB-O 3.17Å; S581-S586 PolarHBondContact O-N 2.92Å; S581-S586 PolarHBondContact OG-O 2.79Å; L584-S586 PolarHBondContact O-N 3.11Å; L584-S586 VanDerWaalsContact O-N 3.1Å; L584-S586 PolarHBondContact O-OG 3.03Å; S586-W606 PolarHBondContact O-NE1 3.39Å
587	N	90.4	Very high	94	Very high	52 Å²	52	46.7 Å²	46.7	28%	0.278	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-89.5	145.5	173.7	-76.3	-41.8	0	0	0	111.3	D425 F428	D425-N587 PolarHBondContact O-ND2 2.9Å; F428-N587 WeakPolarHBondContact CE2-OD1 3.41Å
588	P	93.6	Very high	94	Very high	21 Å²	21	43.7 Å²	43.7	14%	0.136	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-76.8	145.1	177.1	27.7	-28.8	0	0	0	111.6	K577 S581 Y604 F605 W606	K577-P588 VanDerWaalsContact CE-CG 3.46Å; K577-P588 HydrophobicContact CG-CG 4.45Å; S581-P588 WeakPolarHBondContact OG-CD 3.42Å; P588-Y604 HydrophobicContact CB-CD1 3.74Å; P588-Y604 HydrophobicContact CB-CG 3.89Å; P588-Y604 HydrophobicContact CG-CD1 3.83Å; P588-Y604 HydrophobicContact CG-CE1 4.28Å; P588-Y604 HydrophobicContact CG-CG 4.08Å; P588-F605 CarbonylContact C-O 3.6Å; P588-F605 VanDerWaalsContact CA-O 3.3Å; P588-F605 WeakPolarHBondContact CA-O 3.49Å; P588-W606 HydrophobicContact CB-CD2 3.69Å; P588-W606 VanDerWaalsContact CB-CE2 3.43Å; P588-W606 HydrophobicContact CB-CE3 4.11Å; P588-W606 HydrophobicContact CB-CG 4.17Å; P588-W606 HydrophobicContact CB-CH2 4.09Å; P588-W606 HydrophobicContact CB-CZ2 3.66Å; P588-W606 HydrophobicContact CB-CZ3 4.31Å; P588-W606 HydrophobicContact CG-CD2 4.41Å; P588-W606 HydrophobicContact CG-CH2 4.3Å; P588-W606 HydrophobicContact CG-CZ2 3.59Å
589	V	92.5	Very high	94.1	Very high	21 Å²	21	38.3 Å²	38.3	13%	0.127	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.8	159.8	-175.5	0	0	0	0	108.9	I591 Y604 F605 M612 N613	V589-I591 HydrophobicContact CG1-CD1 4.3Å; V589-I591 HydrophobicContact CG1-CG1 3.92Å; V589-Y604 CarbonylContact O-C 3.36Å; V589-Y604 WeakPolarHBondContact O-CA 3.29Å; V589-F605 PolarHBondContact N-O 3.12Å; V589-F605 PolarHBondContact O-N 2.88Å; V589-M612 HydrophobicContact CB-CE 4.2Å; V589-M612 HydrophobicContact CG2-CE 3.83Å; V589-M612 HydrophobicContact CG2-CG 3.92Å; V589-M612 HydrophobicContact CG2-SD 4.2Å; V589-N613 WeakPolarHBondContact CG2-ND2 3.48Å
590	M	95	Very high	93.9	Very high	101 Å²	101	41 Å²	41	50%	0.498	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.1	174.1	-168.3	-76.9	-60.6	0	0	109.5	V570 D592 A602 R603 Y604	V570-M590 HydrophobicContact CG2-CG 3.68Å; M590-D592 HydrophobicContact SD-CB 4.49Å; M590-A602 HydrophobicContact SD-CB 4Å; M590-R603 WeakPolarHBondContact CA-O 3.35Å; M590-Y604 HydrophobicContact CB-CD1 3.93Å; M590-Y604 HydrophobicContact CB-CE1 3.82Å; M590-Y604 HydrophobicContact CG-CD1 4.16Å; M590-Y604 HydrophobicContact CG-CE1 3.94Å
591	I	95.3	Very high	93.8	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.4	176.7	-56.5	178.9	0	0	0	108.7	V589 A602 R603 F605 L616 V708 L712	V589-I591 HydrophobicContact CG1-CD1 4.3Å; V589-I591 HydrophobicContact CG1-CG1 3.92Å; I591-A602 WeakPolarHBondContact O-CA 3.43Å; I591-R603 PolarHBondContact N-O 3.28Å; I591-R603 PolarHBondContact O-N 2.93Å; I591-F605 HydrophobicContact CB-CD2 4.07Å; I591-F605 HydrophobicContact CB-CE2 3.89Å; I591-F605 HydrophobicContact CD1-CD2 4.13Å; I591-F605 HydrophobicContact CD1-CE2 4.45Å; I591-F605 HydrophobicContact CG1-CD2 4.13Å; I591-F605 HydrophobicContact CG1-CE2 4.42Å; I591-L616 HydrophobicContact CG2-CD2 3.61Å; I591-V708 HydrophobicContact CB-CG1 4.4Å; I591-V708 HydrophobicContact CG2-CG1 3.89Å; I591-V708 HydrophobicContact CG2-CG2 4.24Å; I591-L712 HydrophobicContact CD1-CD1 4.45Å; I591-L712 HydrophobicContact CD1-CD2 3.92Å; I591-L712 HydrophobicContact CD1-CG 4.36Å
592	D	96.1	Very high	93.8	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.102	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.6	173.5	-169.3	-14.6	0	0	0	109.9	M590 K594 E595 H600 R601 A602	M590-D592 HydrophobicContact SD-CB 4.49Å; D592-K594 HydrophobicContact CB-CD 4.36Å; D592-K594 HydrophobicContact CB-CG 4.09Å; D592-K594 PolarHBondContact O-N 2.86Å; D592-K594 PolarHBondContact OD1-N 2.74Å; D592-K594 VanDerWaalsContact OD1-N 3.1Å; D592-K594 VanDerWaalsContact OD2-CD 3.29Å; D592-K594 WeakPolarHBondContact OD2-CD 3.39Å; D592-K594 IonicContact OD2-NZ 3.12Å; D592-E595 PolarHBondContact O-N 2.97Å; D592-H600 IonicContact OD2-ND1 2.78Å; D592-R601 PolarHBondContact OD1-N 3.17Å; D592-A602 HydrophobicContact CB-CB 4.15Å; D592-A602 PolarHBondContact OD1-N 3.15Å
593	A	95.1	Very high	94	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.1	-14.5	179.3	0	0	0	0	0	113.4	E595 V596 S597 A599 R601 V708	A593-E595 PolarHBondContact O-N 2.87Å; A593-V596 CarbonylContact O-C 3.55Å; A593-V596 PolarHBondContact O-N 2.85Å; A593-S597 VanDerWaalsContact C-OG 3.29Å; A593-S597 WeakPolarHBondContact CB-OG 3.32Å; A593-S597 WeakPolarHBondContact O-CA 3.4Å; A593-S597 WeakPolarHBondContact O-CB 3.18Å; A593-S597 PolarHBondContact O-N 2.77Å; A593-S597 PolarHBondContact O-OG 2.87Å; A593-A599 CarbonylContact C-O 3.59Å; A593-R601 HydrophobicContact CB-CB 3.86Å; A593-R601 PolarHBondContact N-O 3.03Å; A593-V708 HydrophobicContact CB-CG2 3.86Å
594	K	93.3	Very high	94.1	Very high	83 Å²	83	36 Å²	36	36%	0.361	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-54.9	-26.4	177.9	75.5	-178.5	175.7	-163.2	0	113.4	D592 V596 A599 K640	D592-K594 HydrophobicContact CB-CD 4.36Å; D592-K594 HydrophobicContact CB-CG 4.09Å; D592-K594 PolarHBondContact O-N 2.86Å; D592-K594 PolarHBondContact OD1-N 2.74Å; D592-K594 VanDerWaalsContact OD1-N 3.1Å; D592-K594 VanDerWaalsContact OD2-CD 3.29Å; D592-K594 WeakPolarHBondContact OD2-CD 3.39Å; D592-K594 IonicContact OD2-NZ 3.12Å; K594-V596 VanDerWaalsContact C-N 3.29Å; K594-A599 VanDerWaalsContact CA-O 3.25Å; K594-A599 WeakPolarHBondContact CA-O 3.42Å; K594-A599 PolarHBondContact N-O 2.83Å; K594-K640 WeakPolarHBondContact O-CE 3.42Å; K594-K640 PolarHBondContact O-NZ 2.93Å
595	E	91.9	Very high	94.2	Very high	100 Å²	100	35.9 Å²	35.9	47%	0.467	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-75.5	-21	-177.7	-66.7	178	-173	0	0	112.1	D592 A593 L616	D592-E595 PolarHBondContact O-N 2.97Å; A593-E595 PolarHBondContact O-N 2.87Å; E595-L616 HydrophobicContact CB-CD2 3.85Å; E595-L616 HydrophobicContact CB-CG 4.45Å
596	V	92.8	Very high	94.4	Very high	3 Å²	3	30 Å²	30	2%	0.018	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	8.2	-175.7	-63.8	0	0	0	0	113.5	A593 K594 L616 D622 P707 V708	A593-V596 CarbonylContact O-C 3.55Å; A593-V596 PolarHBondContact O-N 2.85Å; K594-V596 VanDerWaalsContact C-N 3.29Å; V596-L616 HydrophobicContact CB-CD2 4.42Å; V596-L616 HydrophobicContact CG1-CD1 3.87Å; V596-L616 HydrophobicContact CG1-CD2 3.71Å; V596-L616 HydrophobicContact CG1-CG 3.49Å; V596-L616 VanDerWaalsContact CG1-CG 3.49Å; V596-L616 HydrophobicContact CG2-CD2 3.88Å; V596-L616 HydrophobicContact CG2-CG 4.46Å; V596-D622 WeakPolarHBondContact O-CB 3.25Å; V596-P707 HydrophobicContact CB-CB 4.06Å; V596-P707 HydrophobicContact CB-CG 4.33Å; V596-P707 HydrophobicContact CG2-CB 3.83Å; V596-P707 HydrophobicContact CG2-CG 3.83Å; V596-V708 HydrophobicContact CG2-CG2 3.85Å
597	S	94.7	Very high	94.7	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.028	15%	0.149	C	C	.	.	S	Bend	trans	-154.8	166.4	-179	76.1	0	0	0	0	111.3	A593 A599 K623 K640 V678	A593-S597 VanDerWaalsContact C-OG 3.29Å; A593-S597 WeakPolarHBondContact CB-OG 3.32Å; A593-S597 WeakPolarHBondContact O-CA 3.4Å; A593-S597 WeakPolarHBondContact O-CB 3.18Å; A593-S597 PolarHBondContact O-N 2.77Å; A593-S597 PolarHBondContact O-OG 2.87Å; S597-A599 PolarHBondContact O-N 2.67Å; S597-A599 VanDerWaalsContact O-N 3.15Å; S597-A599 PolarHBondContact OG-N 2.95Å; S597-K623 CarbonylContact C-O 3.59Å; S597-K623 WeakPolarHBondContact CA-O 3.27Å; S597-K640 PolarHBondContact O-NZ 3.18Å; S597-V678 WeakPolarHBondContact CB-O 3.49Å
598	A	94.9	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-77.2	14.1	179.1	0	0	0	0	0	115	K623 L624 K640 V641 V678	A598-K623 PolarHBondContact N-O 3.21Å; A598-L624 WeakPolarHBondContact CA-O 3.28Å; A598-K640 CarbonylContact O-C 3.55Å; A598-K640 VanDerWaalsContact O-CA 3.28Å; A598-K640 WeakPolarHBondContact O-CA 3.37Å; A598-V641 PolarHBondContact O-N 2.81Å; A598-V678 HydrophobicContact CB-CG1 4.49Å; A598-V678 HydrophobicContact CB-CG2 4.28Å
599	A	93.9	Very high	94.9	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.033	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-130.5	139.6	-178.1	0	0	0	0	0	113.9	A593 K594 S597 R601 V641 V678	A593-A599 CarbonylContact C-O 3.59Å; K594-A599 VanDerWaalsContact CA-O 3.25Å; K594-A599 WeakPolarHBondContact CA-O 3.42Å; K594-A599 PolarHBondContact N-O 2.83Å; S597-A599 PolarHBondContact O-N 2.67Å; S597-A599 VanDerWaalsContact O-N 3.15Å; S597-A599 PolarHBondContact OG-N 2.95Å; A599-R601 PolarHBondContact O-N 3.07Å; A599-V641 CarbonylContact C-O 3.13Å; A599-V641 WeakPolarHBondContact CA-O 2.99Å; A599-V641 HydrophobicContact CB-CG2 3.74Å; A599-V678 HydrophobicContact CB-CG1 3.58Å
600	H	93.8	Very high	94.8	Very high	75 Å²	75	27.2 Å²	27.2	35%	0.347	14%	0.136	S	C	.	.			trans	-69.6	116.8	161	-72.7	-74.7	0	0	0	109.6	D592 V641 T643	D592-H600 IonicContact OD2-ND1 2.78Å; H600-V641 PolarHBondContact N-O 3.41Å; H600-T643 WeakPolarHBondContact O-CA 3.49Å; H600-T643 WeakPolarHBondContact O-CB 3.28Å; H600-T643 PolarHBondContact O-N 3.15Å; H600-T643 PolarHBondContact O-OG1 3.45Å
601	R	94.8	Very high	94.5	Very high	14 Å²	14	22.9 Å²	22.9	5%	0.053	12%	0.116	C	C	.	.			trans	-155.5	69.3	-179.6	-163	172.7	-160.2	-158.5	-0.1	111	D592 A593 A599 R603 T643 G701 S703	D592-R601 PolarHBondContact OD1-N 3.17Å; A593-R601 HydrophobicContact CB-CB 3.86Å; A593-R601 PolarHBondContact N-O 3.03Å; A599-R601 PolarHBondContact O-N 3.07Å; R601-R603 PolarHBondContact O-N 3.42Å; R601-T643 HydrophobicContact CG-CG2 4.25Å; R601-G701 PolarHBondContact NH2-O 2.93Å; R601-S703 PolarHBondContact NH1-O 3.5Å; R601-S703 PolarHBondContact NH2-O 3.3Å
602	A	95.1	Very high	94.2	Very high	26 Å²	26	23 Å²	23	22%	0.215	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	127.4	172.3	0	0	0	0	0	111.2	V570 M590 I591 D592	V570-A602 HydrophobicContact CB-CB 4.3Å; V570-A602 HydrophobicContact CG2-CB 3.91Å; M590-A602 HydrophobicContact SD-CB 4Å; I591-A602 WeakPolarHBondContact O-CA 3.43Å; D592-A602 HydrophobicContact CB-CB 4.15Å; D592-A602 PolarHBondContact OD1-N 3.15Å
603	R	97.4	Very high	93.8	Very high	32 Å²	32	25.4 Å²	25.4	12%	0.121	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.2	177.1	-66.4	-55.6	-171.8	-96.2	2.1	111.4	E567 M590 I591 R601 F605	E567-R603 HydrophobicContact CG-CB 4.24Å; E567-R603 WeakPolarHBondContact OE1-CD 3.38Å; E567-R603 WeakPolarHBondContact OE1-CG 3.13Å; E567-R603 IonicContact OE1-NE 2.83Å; E567-R603 PolarHBondContact OE1-NE 3.02Å; M590-R603 WeakPolarHBondContact CA-O 3.35Å; I591-R603 PolarHBondContact N-O 3.28Å; I591-R603 PolarHBondContact O-N 2.93Å; R601-R603 PolarHBondContact O-N 3.42Å; R603-F605 HydrophobicContact CB-CD2 4.34Å; R603-F605 HydrophobicContact CB-CE2 3.59Å; R603-F605 HydrophobicContact CB-CZ 3.88Å
604	Y	97.9	Very high	93.5	Very high	35 Å²	35	26.2 Å²	26.2	14%	0.137	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.6	170.1	-75.5	-45.7	0	0	0	109.5	E567 N568 V570 M572 K577 P588 V589 M590 W606	E567-Y604 WeakPolarHBondContact CA-O 3.41Å; N568-Y604 PolarHBondContact N-O 3.35Å; N568-Y604 PolarHBondContact O-N 2.87Å; V570-Y604 HydrophobicContact CB-CD2 4.36Å; V570-Y604 HydrophobicContact CB-CE2 4.13Å; V570-Y604 HydrophobicContact CG1-CE2 4.1Å; V570-Y604 HydrophobicContact CG2-CD1 4.02Å; V570-Y604 HydrophobicContact CG2-CD2 4.08Å; V570-Y604 HydrophobicContact CG2-CE1 4.07Å; V570-Y604 HydrophobicContact CG2-CE2 4.14Å; V570-Y604 HydrophobicContact CG2-CG 4.01Å; M572-Y604 HydrophobicContact CE-CD2 4.28Å; M572-Y604 HydrophobicContact CG-CE2 4.49Å; M572-Y604 HydrophobicContact SD-CD2 4.48Å; K577-Y604 HydrophobicContact CD-CE2 3.78Å; K577-Y604 HydrophobicContact CG-CE2 4.22Å; K577-Y604 PolarHBondContact NZ-OH 2.63Å; P588-Y604 HydrophobicContact CB-CD1 3.74Å; P588-Y604 HydrophobicContact CB-CG 3.89Å; P588-Y604 HydrophobicContact CG-CD1 3.83Å; P588-Y604 HydrophobicContact CG-CE1 4.28Å; P588-Y604 HydrophobicContact CG-CG 4.08Å; V589-Y604 CarbonylContact O-C 3.36Å; V589-Y604 WeakPolarHBondContact O-CA 3.29Å; M590-Y604 HydrophobicContact CB-CD1 3.93Å; M590-Y604 HydrophobicContact CB-CE1 3.82Å; M590-Y604 HydrophobicContact CG-CD1 4.16Å; M590-Y604 HydrophobicContact CG-CE1 3.94Å; Y604-W606 VanDerWaalsContact CB-CH2 3.46Å; Y604-W606 HydrophobicContact CD2-CH2 4.04Å; Y604-W606 HydrophobicContact CG-CH2 4.04Å; Y604-W606 HydrophobicContact CG-CZ3 4.4Å
605	F	97.7	Very high	93.3	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.1	177.7	-64.8	-85.9	0	0	0	109.3	L565 F566 E567 P588 V589 I591 R603 M612 V708 I709 L712	L565-F605 HydrophobicContact CD1-CD1 4.17Å; L565-F605 HydrophobicContact CD2-CD1 4.12Å; L565-F605 HydrophobicContact CG-CD1 4.41Å; F566-F605 WeakPolarHBondContact O-CA 3.36Å; E567-F605 HydrophobicContact CB-CD1 3.85Å; E567-F605 HydrophobicContact CB-CE1 3.79Å; E567-F605 HydrophobicContact CG-CD1 3.83Å; E567-F605 HydrophobicContact CG-CE1 3.38Å; E567-F605 HydrophobicContact CG-CZ 3.84Å; P588-F605 CarbonylContact C-O 3.6Å; P588-F605 VanDerWaalsContact CA-O 3.3Å; P588-F605 WeakPolarHBondContact CA-O 3.49Å; V589-F605 PolarHBondContact N-O 3.12Å; V589-F605 PolarHBondContact O-N 2.88Å; I591-F605 HydrophobicContact CB-CD2 4.07Å; I591-F605 HydrophobicContact CB-CE2 3.89Å; I591-F605 HydrophobicContact CD1-CD2 4.13Å; I591-F605 HydrophobicContact CD1-CE2 4.45Å; I591-F605 HydrophobicContact CG1-CD2 4.13Å; I591-F605 HydrophobicContact CG1-CE2 4.42Å; R603-F605 HydrophobicContact CB-CD2 4.34Å; R603-F605 HydrophobicContact CB-CE2 3.59Å; R603-F605 HydrophobicContact CB-CZ 3.88Å; F605-M612 HydrophobicContact CB-CE 4.11Å; F605-M612 WeakPolarHBondContact O-CE 3.42Å; F605-V708 HydrophobicContact CE1-CG1 4.48Å; F605-V708 HydrophobicContact CE2-CG1 3.87Å; F605-V708 HydrophobicContact CZ-CG1 3.64Å; F605-I709 HydrophobicContact CE1-CD1 3.94Å; F605-L712 HydrophobicContact CD1-CD1 3.66Å; F605-L712 HydrophobicContact CD2-CD1 4.43Å; F605-L712 HydrophobicContact CE1-CD1 3.71Å; F605-L712 HydrophobicContact CE2-CD1 4.49Å; F605-L712 HydrophobicContact CG-CD1 4.03Å; F605-L712 HydrophobicContact CZ-CD1 4.14Å
606	W	96.7	Very high	93.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.8	167.9	-65.4	-102.6	0	0	0	108.5	W564 L565 F566 N568 M572 K577 I580 S581 L584 S586 P588 Y604	W564-W606 HydrophobicContact CH2-CB 3.93Å; W564-W606 HydrophobicContact CZ3-CB 3.83Å; L565-W606 CarbonylContact C-O 3.48Å; L565-W606 WeakPolarHBondContact CA-O 3.18Å; F566-W606 HydrophobicContact CB-CB 4.37Å; F566-W606 HydrophobicContact CD1-CD2 4.4Å; F566-W606 AromaticContact CD1-CE3 3.74Å; F566-W606 HydrophobicContact CD1-CE3 3.74Å; F566-W606 HydrophobicContact CD1-CZ3 4.2Å; F566-W606 HydrophobicContact CE1-CE3 4.35Å; F566-W606 HydrophobicContact CE1-CZ3 4.37Å; F566-W606 PolarHBondContact N-O 3.3Å; F566-W606 PolarHBondContact O-N 2.94Å; N568-W606 HydrophobicContact CB-CZ3 4.19Å; M572-W606 HydrophobicContact CE-CH2 3.73Å; M572-W606 HydrophobicContact CE-CZ3 4.29Å; M572-W606 HydrophobicContact SD-CH2 4.14Å; K577-W606 HydrophobicContact CG-CZ2 4.17Å; I580-W606 HydrophobicContact CB-CZ2 4.19Å; I580-W606 HydrophobicContact CG2-CD2 3.92Å; I580-W606 HydrophobicContact CG2-CE3 4.3Å; I580-W606 HydrophobicContact CG2-CG 4.5Å; I580-W606 HydrophobicContact CG2-CH2 4.07Å; I580-W606 HydrophobicContact CG2-CZ2 3.64Å; I580-W606 HydrophobicContact CG2-CZ3 4.37Å; S581-W606 PolarHBondContact OG-NE1 3.32Å; S581-W606 VanDerWaalsContact OG-NE1 3.09Å; L584-W606 HydrophobicContact CD1-CB 3.56Å; L584-W606 HydrophobicContact CD1-CD2 4.24Å; L584-W606 HydrophobicContact CD1-CG 3.66Å; S586-W606 PolarHBondContact O-NE1 3.39Å; P588-W606 HydrophobicContact CB-CD2 3.69Å; P588-W606 VanDerWaalsContact CB-CE2 3.43Å; P588-W606 HydrophobicContact CB-CE3 4.11Å; P588-W606 HydrophobicContact CB-CG 4.17Å; P588-W606 HydrophobicContact CB-CH2 4.09Å; P588-W606 HydrophobicContact CB-CZ2 3.66Å; P588-W606 HydrophobicContact CB-CZ3 4.31Å; P588-W606 HydrophobicContact CG-CD2 4.41Å; P588-W606 HydrophobicContact CG-CH2 4.3Å; P588-W606 HydrophobicContact CG-CZ2 3.59Å; Y604-W606 VanDerWaalsContact CB-CH2 3.46Å; Y604-W606 HydrophobicContact CD2-CH2 4.04Å; Y604-W606 HydrophobicContact CG-CH2 4.04Å; Y604-W606 HydrophobicContact CG-CZ3 4.4Å
607	G	95.1	Very high	92.7	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-176.3	178.5	0	0	0	0	0	112.8	W564	W564-G607 WeakPolarHBondContact O-CA 3.48Å
608	N	93.7	Very high	92.3	Very high	22 Å²	22	25 Å²	25	12%	0.118	14%	0.143	C	C	.	.			trans	-125.1	24.9	175.8	70.7	-22.3	0	0	0	111.9	P431 F562 F563 W564	P431-N608 HydrophobicContact CB-CB 4.15Å; F562-N608 PolarHBondContact O-ND2 2.96Å; F563-N608 VanDerWaalsContact CA-OD1 3.23Å; F563-N608 WeakPolarHBondContact CA-OD1 3.13Å; W564-N608 VanDerWaalsContact CD1-OD1 3.27Å; W564-N608 PolarHBondContact N-OD1 2.92Å; W564-N608 PolarHBondContact O-N 3.05Å; W564-N608 PolarHBondContact O-OD1 3.34Å
609	L	94.4	Very high	91.8	Very high	5 Å²	5	27 Å²	27	3%	0.026	16%	0.156	C	C	.	.			trans	-65	134.1	176	-67.7	177.4	0	0	0	110.3	L514 F563 L565 G611 M612 L712 F713 L716	L514-L609 HydrophobicContact CD1-CD2 4.44Å; F563-L609 HydrophobicContact CB-CD2 3.87Å; F563-L609 HydrophobicContact CD1-CD2 4.33Å; F563-L609 HydrophobicContact CG-CD2 4.23Å; L565-L609 HydrophobicContact CB-CD1 4.19Å; L565-L609 HydrophobicContact CD1-CD1 3.39Å; L565-L609 HydrophobicContact CD1-CG 4.39Å; L565-L609 HydrophobicContact CG-CD1 4.42Å; L609-G611 PolarHBondContact O-N 3.35Å; L609-M612 PolarHBondContact O-N 3.26Å; L609-L712 HydrophobicContact CD1-CB 4.02Å; L609-L712 WeakPolarHBondContact CD1-O 3.44Å; L609-F713 HydrophobicContact CD1-CD1 3.85Å; L609-F713 HydrophobicContact CD1-CE1 4.05Å; L609-L716 HydrophobicContact CD2-CD1 4.24Å; L609-L716 HydrophobicContact CD2-CD2 3.73Å; L609-L716 HydrophobicContact CD2-CG 4.19Å
610	P	91.1	Very high	91.3	Very high	18 Å²	18	33.6 Å²	33.6	12%	0.117	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	125.8	-177.1	-24.6	34.1	0	0	0	112	F563 M612 P715 Y719	F563-P610 HydrophobicContact CE1-CG 3.85Å; F563-P610 HydrophobicContact CZ-CG 4.34Å; P610-M612 VanDerWaalsContact C-N 3.32Å; P610-M612 PolarHBondContact O-N 3.06Å; P610-P715 HydrophobicContact CB-CB 4.06Å; P610-P715 HydrophobicContact CG-CB 4.43Å; P610-P715 VanDerWaalsContact O-CG 3.27Å; P610-P715 WeakPolarHBondContact O-CG 3.44Å; P610-Y719 HydrophobicContact CG-CE2 3.74Å
611	G	88.3	Confident	90.9	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	29.2	175.7	0	0	0	0	0	115	L609 N613 R614	L609-G611 PolarHBondContact O-N 3.35Å; G611-N613 PolarHBondContact O-N 3.22Å; G611-N613 VanDerWaalsContact O-N 3.16Å; G611-R614 WeakPolarHBondContact O-CB 3.16Å; G611-R614 WeakPolarHBondContact O-CD 3.49Å; G611-R614 WeakPolarHBondContact O-CG 3.44Å; G611-R614 PolarHBondContact O-N 3.17Å
612	M	90.4	Very high	90.6	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.079	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.5	174.1	66.3	-178.5	-51.4	0	0	114.2	V589 F605 L609 P610 R614 L712	V589-M612 HydrophobicContact CB-CE 4.2Å; V589-M612 HydrophobicContact CG2-CE 3.83Å; V589-M612 HydrophobicContact CG2-CG 3.92Å; V589-M612 HydrophobicContact CG2-SD 4.2Å; F605-M612 HydrophobicContact CB-CE 4.11Å; F605-M612 WeakPolarHBondContact O-CE 3.42Å; L609-M612 PolarHBondContact O-N 3.26Å; P610-M612 VanDerWaalsContact C-N 3.32Å; P610-M612 PolarHBondContact O-N 3.06Å; M612-R614 VanDerWaalsContact C-N 3.32Å; M612-L712 HydrophobicContact CB-CD2 3.98Å
613	N	86.8	Confident	90.3	Very high	71 Å²	71	37.6 Å²	37.6	38%	0.38	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.6	174.9	-59.4	71.3	0	0	0	113.3	N423 V589 G611	N423-N613 PolarHBondContact OD1-ND2 3.12Å; N423-N613 PolarHBondContact OD1-OD1 2.68Å; V589-N613 WeakPolarHBondContact CG2-ND2 3.48Å; G611-N613 PolarHBondContact O-N 3.22Å; G611-N613 VanDerWaalsContact O-N 3.16Å
614	R	88.9	Confident	90	Very high	18 Å²	18	38.8 Å²	38.8	7%	0.068	22%	0.221	C	C	.	.	S	Bend	trans	-66.5	153.5	-179.2	79.4	-168.1	173.7	93.1	-8.5	110.3	E334 F420 G611 M612 L616 H711	E334-R614 PolarHBondContact O-NH1 2.96Å; F420-R614 HydrophobicContact CD1-CB 4.13Å; F420-R614 HydrophobicContact CE1-CB 4.17Å; G611-R614 WeakPolarHBondContact O-CB 3.16Å; G611-R614 WeakPolarHBondContact O-CD 3.49Å; G611-R614 WeakPolarHBondContact O-CG 3.44Å; G611-R614 PolarHBondContact O-N 3.17Å; M612-R614 VanDerWaalsContact C-N 3.32Å; R614-L616 PolarHBondContact O-N 2.62Å; R614-H711 VanDerWaalsContact CG-CE1 3.41Å; R614-H711 WeakPolarHBondContact CG-CE1 3.35Å; R614-H711 PolarHBondContact NE-CE1 2.96Å; R614-H711 VanDerWaalsContact NE-CE1 3.28Å; R614-H711 PolarHBondContact NH1-CE1 3.2Å; R614-H711 PolarHBondContact NH1-ND1 3.15Å; R614-H711 PolarHBondContact NH2-ND1 3.3Å; R614-H711 PolarHBondContact NH2-O 2.9Å
615	P	88.1	Confident	89.9	Confident	54 Å²	54	42.1 Å²	42.1	35%	0.351	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-58.1	136.7	176.7	-20	31.6	0	0	0	111	E334 H711	E334-P615 HydrophobicContact CG-CB 3.9Å; E334-P615 HydrophobicContact CG-CG 4.13Å; P615-H711 PolarHBondContact O-CE1 3.22Å
616	L	88.6	Confident	89.8	Confident	29 Å²	29	41.8 Å²	41.8	15%	0.152	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-74.3	127.1	175.4	-173	62.1	0	0	0	108.7	I591 E595 V596 R614 H711	I591-L616 HydrophobicContact CG2-CD2 3.61Å; E595-L616 HydrophobicContact CB-CD2 3.85Å; E595-L616 HydrophobicContact CB-CG 4.45Å; V596-L616 HydrophobicContact CB-CD2 4.42Å; V596-L616 HydrophobicContact CG1-CD1 3.87Å; V596-L616 HydrophobicContact CG1-CD2 3.71Å; V596-L616 HydrophobicContact CG1-CG 3.49Å; V596-L616 VanDerWaalsContact CG1-CG 3.49Å; V596-L616 HydrophobicContact CG2-CD2 3.88Å; V596-L616 HydrophobicContact CG2-CG 4.46Å; R614-L616 PolarHBondContact O-N 2.62Å; L616-H711 HydrophobicContact CD1-CB 3.57Å; L616-H711 VanDerWaalsContact CD1-ND1 3.32Å; L616-H711 WeakPolarHBondContact CD1-ND1 3.3Å
617	A	84.8	Confident	89.8	Confident	21 Å²	21	45.7 Å²	45.7	17%	0.174	26%	0.255	C	S	.	.			trans	-118	130.8	-178	0	0	0	0	0	109.6
618	S	85.4	Confident	89.9	Confident	61 Å²	61	50.1 Å²	50.1	43%	0.427	27%	0.273	S	S	.	.			trans	-81.6	132.4	174	57.9	0	0	0	0	110.5
619	T	84.6	Confident	90	Very high	43 Å²	43	49.1 Å²	49.1	26%	0.264	27%	0.267	S	S	.	.			trans	-87	164	168.8	67.6	0	0	0	0	110.2	N621 D622	T619-N621 PolarHBondContact O-N 2.83Å; T619-D622 PolarHBondContact N-OD2 3.44Å; T619-D622 WeakPolarHBondContact O-CB 3.27Å; T619-D622 PolarHBondContact O-N 3.21Å; T619-D622 VanDerWaalsContact O-N 3.14Å; T619-D622 VanDerWaalsContact OG1-CG 3.3Å; T619-D622 PolarHBondContact OG1-OD2 2.77Å
620	V	82.8	Confident	90.2	Very high	141 Å²	141	49.6 Å²	49.6	86%	0.855	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.9	176.4	67.1	0	0	0	0	113	D622	V620-D622 VanDerWaalsContact C-N 3.29Å
621	N	85.8	Confident	90.4	Very high	86 Å²	86	51.2 Å²	51.2	46%	0.46	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.1	179.5	-73.1	-20.2	0	0	0	112.6	D341 T619	D341-N621 PolarHBondContact OD2-ND2 3.29Å; T619-N621 PolarHBondContact O-N 2.83Å
622	D	87.9	Confident	90.7	Very high	30 Å²	30	59.5 Å²	59.5	16%	0.16	31%	0.312	C	S	.	.	S	Bend	trans	-75.3	126.6	-178.7	-66.7	-45.8	0	0	0	111.2	V596 T619 V620 L624 P707	V596-D622 WeakPolarHBondContact O-CB 3.25Å; T619-D622 PolarHBondContact N-OD2 3.44Å; T619-D622 WeakPolarHBondContact O-CB 3.27Å; T619-D622 PolarHBondContact O-N 3.21Å; T619-D622 VanDerWaalsContact O-N 3.14Å; T619-D622 VanDerWaalsContact OG1-CG 3.3Å; T619-D622 PolarHBondContact OG1-OD2 2.77Å; V620-D622 VanDerWaalsContact C-N 3.29Å; D622-L624 HydrophobicContact CB-CD2 4.33Å; D622-L624 PolarHBondContact O-N 2.79Å; D622-P707 WeakPolarHBondContact OD1-CB 3.2Å
623	K	89.9	Confident	90.8	Very high	84 Å²	84	61.7 Å²	61.7	37%	0.365	34%	0.339	S	S	.	.			trans	-87.2	100.4	177.6	-66.8	174	179.5	63.3	0	109.1	S597 A598 E628 R677	S597-K623 CarbonylContact C-O 3.59Å; S597-K623 WeakPolarHBondContact CA-O 3.27Å; A598-K623 PolarHBondContact N-O 3.21Å; K623-E628 WeakPolarHBondContact CA-OE2 3.42Å; K623-E628 HydrophobicContact CB-CB 4.09Å; K623-E628 HydrophobicContact CD-CB 4.49Å; K623-E628 WeakPolarHBondContact CD-O 3.48Å; K623-E628 HydrophobicContact CG-CB 4.12Å; K623-R677 HydrophobicContact CD-CB 4.29Å
624	L	91.8	Very high	91.3	Very high	57 Å²	57	58.5 Å²	58.5	30%	0.298	32%	0.321	S	S	.	.			trans	-82.8	-34	-176.5	-59.3	-176.6	0	0	0	110.5	A598 D622 E628 K640	A598-L624 WeakPolarHBondContact CA-O 3.28Å; D622-L624 HydrophobicContact CB-CD2 4.33Å; D622-L624 PolarHBondContact O-N 2.79Å; L624-E628 PolarHBondContact N-OE2 2.92Å; L624-K640 WeakPolarHBondContact O-CD 3.31Å; L624-K640 WeakPolarHBondContact O-CE 3.37Å; L624-K640 PolarHBondContact O-NZ 3.04Å
625	E	94.9	Very high	91.7	Very high	104 Å²	104	62.8 Å²	62.8	49%	0.486	34%	0.344	S	S	.	.	S	Bend	trans	-99.7	144.1	-178.9	-61.8	-165.4	-176.6	0	0	111.7	Q627 E628	E625-Q627 PolarHBondContact O-N 3.22Å; E625-E628 HydrophobicContact CB-CG 4.16Å; E625-E628 PolarHBondContact N-OE2 3.24Å; E625-E628 WeakPolarHBondContact O-CB 3.42Å; E625-E628 PolarHBondContact O-N 3.37Å
626	L	96.1	Very high	92.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-36.2	176.4	-175.7	60.6	0	0	0	110.9	E628 C629 L630 A636 F638 S639 V641 P660 L670 V678	L626-E628 PolarHBondContact O-N 3.09Å; L626-C629 WeakPolarHBondContact O-CA 3.43Å; L626-C629 VanDerWaalsContact O-CB 3.31Å; L626-C629 WeakPolarHBondContact O-CB 3.48Å; L626-C629 PolarHBondContact O-N 3.44Å; L626-L630 HydrophobicContact CD1-CD2 4.41Å; L626-L630 HydrophobicContact CG-CD2 4.33Å; L626-L630 WeakPolarHBondContact O-CG 3.38Å; L626-L630 PolarHBondContact O-N 3.38Å; L626-A636 HydrophobicContact CB-CB 3.99Å; L626-A636 HydrophobicContact CD2-CB 4Å; L626-A636 HydrophobicContact CG-CB 4Å; L626-F638 VanDerWaalsContact CB-O 3.28Å; L626-F638 WeakPolarHBondContact CB-O 3.36Å; L626-S639 WeakPolarHBondContact CB-O 3.39Å; L626-S639 PolarHBondContact N-O 3.21Å; L626-V641 HydrophobicContact CD1-CG1 3.76Å; L626-V641 HydrophobicContact CD2-CG1 3.55Å; L626-V641 HydrophobicContact CG-CG1 4.24Å; L626-P660 HydrophobicContact CD2-CB 4.12Å; L626-L670 HydrophobicContact CD1-CD1 4.38Å; L626-L670 HydrophobicContact CD1-CD2 3.94Å; L626-V678 HydrophobicContact CD1-CG2 3.72Å
627	Q	97.4	Very high	92.3	Very high	82 Å²	82	62.6 Å²	62.6	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-33.5	178.7	-171.4	58.9	63.4	0	0	112.6	E625 C629 L630 R634 A636	E625-Q627 PolarHBondContact O-N 3.22Å; Q627-C629 PolarHBondContact O-N 2.91Å; Q627-L630 PolarHBondContact O-N 3.4Å; Q627-R634 PolarHBondContact NE2-O 2.9Å; Q627-A636 HydrophobicContact CB-CB 4.05Å
628	E	95.8	Very high	92.7	Very high	102 Å²	102	64.8 Å²	64.8	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-71.3	-16.8	176.8	-58.7	171.3	151.5	0	0	112.3	K623 L624 E625 L626	K623-E628 WeakPolarHBondContact CA-OE2 3.42Å; K623-E628 HydrophobicContact CB-CB 4.09Å; K623-E628 HydrophobicContact CD-CB 4.49Å; K623-E628 WeakPolarHBondContact CD-O 3.48Å; K623-E628 HydrophobicContact CG-CB 4.12Å; L624-E628 PolarHBondContact N-OE2 2.92Å; E625-E628 HydrophobicContact CB-CG 4.16Å; E625-E628 PolarHBondContact N-OE2 3.24Å; E625-E628 WeakPolarHBondContact O-CB 3.42Å; E625-E628 PolarHBondContact O-N 3.37Å; L626-E628 PolarHBondContact O-N 3.09Å
629	C	96.6	Very high	93	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-93.9	-16.6	178.8	-58.7	0	0	0	0	113.3	L626 Q627 R677 V678	L626-C629 WeakPolarHBondContact O-CA 3.43Å; L626-C629 VanDerWaalsContact O-CB 3.31Å; L626-C629 WeakPolarHBondContact O-CB 3.48Å; L626-C629 PolarHBondContact O-N 3.44Å; Q627-C629 PolarHBondContact O-N 2.91Å; C629-R677 HydrophobicContact CB-CB 3.91Å; C629-R677 WeakPolarHBondContact O-CD 3.4Å; C629-R677 PolarHBondContact O-NH1 3.29Å; C629-R677 VanDerWaalsContact O-NH1 3.07Å; C629-V678 HydrophobicContact CB-CG2 3.77Å
630	L	97.3	Very high	93.5	Very high	16 Å²	16	65 Å²	65	8%	0.084	35%	0.345	C	S	.	.	S	Bend	trans	-80.9	155	-174.9	-61	-172.2	0	0	0	112.8	L626 Q627 R634 A636 V661 L670 E674	L626-L630 HydrophobicContact CD1-CD2 4.41Å; L626-L630 HydrophobicContact CG-CD2 4.33Å; L626-L630 WeakPolarHBondContact O-CG 3.38Å; L626-L630 PolarHBondContact O-N 3.38Å; Q627-L630 PolarHBondContact O-N 3.4Å; L630-R634 HydrophobicContact CB-CB 4.24Å; L630-R634 HydrophobicContact CD1-CB 4.24Å; L630-A636 HydrophobicContact CD1-CB 3.78Å; L630-A636 VanDerWaalsContact CD1-N 3.32Å; L630-V661 HydrophobicContact CD1-CG1 3.86Å; L630-V661 HydrophobicContact CD1-CG2 4Å; L630-V661 HydrophobicContact CD2-CG2 3.64Å; L630-L670 HydrophobicContact CD2-CD2 3.5Å; L630-L670 VanDerWaalsContact CD2-CD2 3.5Å; L630-E674 WeakPolarHBondContact CA-OE1 3.49Å; L630-E674 HydrophobicContact CD2-CB 4.39Å; L630-E674 HydrophobicContact CD2-CG 4.29Å; L630-E674 WeakPolarHBondContact CD2-OE1 3.39Å
631	E	95.9	Very high	94	Very high	52 Å²	52	58.3 Å²	58.3	24%	0.243	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.7	161.3	168.5	-67.9	-62.3	159.2	0	0	112.6	R634 W671 E674 R677	E631-R634 WeakPolarHBondContact O-CB 3.29Å; E631-R634 PolarHBondContact O-N 3.05Å; E631-W671 HydrophobicContact CB-CE3 4.25Å; E631-W671 HydrophobicContact CB-CZ3 3.86Å; E631-W671 HydrophobicContact CG-CE3 3.76Å; E631-W671 HydrophobicContact CG-CZ3 3.72Å; E631-E674 HydrophobicContact CG-CG 4.43Å; E631-E674 PolarHBondContact N-OE1 3.29Å; E631-R677 IonicContact OE1-CZ 3.32Å; E631-R677 IonicContact OE1-NH1 3.9Å; E631-R677 PolarHBondContact OE1-NH1 3.07Å; E631-R677 IonicContact OE1-NH2 3.21Å; E631-R677 PolarHBondContact OE1-NH2 3.04Å
632	H	94.4	Very high	94.3	Very high	183 Å²	183	60.3 Å²	60.3	85%	0.847	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	140.3	177.4	-65.8	83.7	0	0	0	111.8	R634	H632-R634 VanDerWaalsContact C-N 3.28Å
633	G	93.4	Very high	94.2	Very high	62 Å²	62	61 Å²	61	64%	0.639	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	5.1	-178.2	0	0	0	0	0	114.6
634	R	97.2	Very high	94.2	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.011	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.1	176.9	-57	174.1	63.4	74.5	-3.9	110.5	Q627 L630 E631 H632 V661 M663 D668 I669 E674	Q627-R634 PolarHBondContact NE2-O 2.9Å; L630-R634 HydrophobicContact CB-CB 4.24Å; L630-R634 HydrophobicContact CD1-CB 4.24Å; E631-R634 WeakPolarHBondContact O-CB 3.29Å; E631-R634 PolarHBondContact O-N 3.05Å; H632-R634 VanDerWaalsContact C-N 3.28Å; R634-V661 HydrophobicContact CB-CG1 3.81Å; R634-M663 HydrophobicContact CG-CB 4.35Å; R634-M663 HydrophobicContact CG-CG 4.2Å; R634-M663 HydrophobicContact CG-SD 4.27Å; R634-M663 PolarHBondContact NH1-SD 2.74Å; R634-D668 IonicContact CZ-OD2 2.96Å; R634-D668 IonicContact NH1-OD2 2.63Å; R634-D668 PolarHBondContact NH1-OD2 2.76Å; R634-D668 IonicContact NH2-OD2 3Å; R634-D668 PolarHBondContact NH2-OD2 3.33Å; R634-I669 PolarHBondContact NH2-O 3.26Å; R634-E674 WeakPolarHBondContact CD-OE1 3.34Å; R634-E674 IonicContact CZ-OE1 3.85Å; R634-E674 IonicContact NE-OE1 3.85Å; R634-E674 PolarHBondContact NE-OE1 3.01Å; R634-E674 IonicContact NE-OE2 2.69Å; R634-E674 IonicContact NH2-OE2 2.86Å
635	I	96.4	Very high	94	Very high	108 Å²	108	56.8 Å²	56.8	55%	0.554	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.2	-173.5	-59.2	175.3	0	0	0	109.7	V661 F662	I635-V661 CarbonylContact O-C 3.52Å; I635-V661 WeakPolarHBondContact O-CA 2.97Å; I635-F662 HydrophobicContact CB-CB 4.48Å; I635-F662 PolarHBondContact N-O 3.24Å; I635-F662 PolarHBondContact O-N 2.98Å
636	A	96.4	Very high	93.7	Very high	22 Å²	22	53.2 Å²	53.2	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.2	178.1	0	0	0	0	0	110.8	L626 Q627 L630	L626-A636 HydrophobicContact CB-CB 3.99Å; L626-A636 HydrophobicContact CD2-CB 4Å; L626-A636 HydrophobicContact CG-CB 4Å; Q627-A636 HydrophobicContact CB-CB 4.05Å; L630-A636 HydrophobicContact CD1-CB 3.78Å; L630-A636 VanDerWaalsContact CD1-N 3.32Å
637	K	94	Very high	93.2	Very high	58 Å²	58	60.2 Å²	60.2	25%	0.252	31%	0.306	S	S	.	.	S	Bend	trans	-81	-21.9	172.1	-67.8	-178.2	70.2	-176.1	0	112.8	F659 P660 F662 E667	K637-F659 WeakPolarHBondContact CD-O 3.38Å; K637-P660 WeakPolarHBondContact CB-O 3.32Å; K637-P660 PolarHBondContact N-O 2.86Å; K637-F662 HydrophobicContact CD-CD1 4.48Å; K637-F662 HydrophobicContact CD-CD2 3.51Å; K637-F662 HydrophobicContact CD-CE1 4.32Å; K637-F662 HydrophobicContact CD-CE2 3.33Å; K637-F662 HydrophobicContact CD-CG 4.1Å; K637-F662 HydrophobicContact CD-CZ 3.76Å; K637-F662 HydrophobicContact CG-CD2 3.32Å; K637-F662 HydrophobicContact CG-CE2 3.51Å; K637-F662 HydrophobicContact CG-CG 4.13Å; K637-F662 HydrophobicContact CG-CZ 4.42Å; K637-E667 VanDerWaalsContact NZ-CD 3.26Å; K637-E667 IonicContact NZ-OE1 2.9Å; K637-E667 PolarHBondContact NZ-OE1 3.12Å; K637-E667 IonicContact NZ-OE2 3.05Å
638	F	92.3	Very high	92.5	Very high	66 Å²	66	59.2 Å²	59.2	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	-132.3	145.3	-176	-50.9	-79.5	0	0	0	109.4	L626 K640 Q653 H658 P660	L626-F638 VanDerWaalsContact CB-O 3.28Å; L626-F638 WeakPolarHBondContact CB-O 3.36Å; F638-K640 WeakPolarHBondContact CB-O 3.45Å; F638-Q653 HydrophobicContact CD2-CB 3.92Å; F638-Q653 HydrophobicContact CD2-CG 3.73Å; F638-Q653 HydrophobicContact CE1-CB 4.3Å; F638-Q653 HydrophobicContact CE2-CB 3.32Å; F638-Q653 HydrophobicContact CE2-CG 3.56Å; F638-Q653 HydrophobicContact CZ-CB 3.54Å; F638-Q653 HydrophobicContact CZ-CG 4.29Å; F638-H658 HydrophobicContact CZ-CB 4.39Å; F638-P660 HydrophobicContact CD2-CB 4.15Å
639	S	93	Very high	92	Very high	65 Å²	65	59.1 Å²	59.1	46%	0.455	31%	0.31	S	S	.	.	S	Bend	trans	-68.5	-35.9	174.1	171.5	0	0	0	0	111.9	L626	L626-S639 WeakPolarHBondContact CB-O 3.39Å; L626-S639 PolarHBondContact N-O 3.21Å
640	K	93.7	Very high	91.5	Very high	45 Å²	45	60.2 Å²	60.2	20%	0.196	32%	0.318	C	S	.	.	S	Bend	trans	-130.4	143.2	176.3	-56.6	-72.7	-173.2	168	0	109.7	K594 S597 A598 L624 F638	K594-K640 WeakPolarHBondContact O-CE 3.42Å; K594-K640 PolarHBondContact O-NZ 2.93Å; S597-K640 PolarHBondContact O-NZ 3.18Å; A598-K640 CarbonylContact O-C 3.55Å; A598-K640 VanDerWaalsContact O-CA 3.28Å; A598-K640 WeakPolarHBondContact O-CA 3.37Å; L624-K640 WeakPolarHBondContact O-CD 3.31Å; L624-K640 WeakPolarHBondContact O-CE 3.37Å; L624-K640 PolarHBondContact O-NZ 3.04Å; F638-K640 WeakPolarHBondContact CB-O 3.45Å
641	V	93.5	Very high	91.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-84.4	148.7	168.7	-66.2	0	0	0	0	111.3	A598 A599 H600 L626 I644 P660 L670 V678	A598-V641 PolarHBondContact O-N 2.81Å; A599-V641 CarbonylContact C-O 3.13Å; A599-V641 WeakPolarHBondContact CA-O 2.99Å; A599-V641 HydrophobicContact CB-CG2 3.74Å; H600-V641 PolarHBondContact N-O 3.41Å; L626-V641 HydrophobicContact CD1-CG1 3.76Å; L626-V641 HydrophobicContact CD2-CG1 3.55Å; L626-V641 HydrophobicContact CG-CG1 4.24Å; V641-I644 HydrophobicContact CG2-CD1 3.91Å; V641-I644 HydrophobicContact CG2-CG1 4.31Å; V641-P660 HydrophobicContact CG1-CB 4.06Å; V641-L670 HydrophobicContact CG1-CD1 4.05Å; V641-V678 HydrophobicContact CG2-CG1 3.86Å
642	R	91.6	Very high	90.7	Very high	127 Å²	127	60.2 Å²	60.2	48%	0.479	32%	0.317	S	S	.	.			trans	-64.2	165.9	165.4	-69.4	178.3	179.3	174.6	-0.3	110.8	I644 Q653 G654	R642-I644 PolarHBondContact O-N 2.94Å; R642-Q653 VanDerWaalsContact CB-OE1 3.29Å; R642-Q653 VanDerWaalsContact CG-OE1 3.28Å; R642-G654 VanDerWaalsContact NH1-C 3.3Å; R642-G654 PolarHBondContact NH1-O 2.85Å
643	T	87.6	Confident	90.3	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	28%	0.277	S	S	.	.			trans	-55.1	109.3	-177.9	-52.6	0	0	0	0	111.7	H600 R601 T645	H600-T643 WeakPolarHBondContact O-CA 3.49Å; H600-T643 WeakPolarHBondContact O-CB 3.28Å; H600-T643 PolarHBondContact O-N 3.15Å; H600-T643 PolarHBondContact O-OG1 3.45Å; R601-T643 HydrophobicContact CG-CG2 4.25Å; T643-T645 HydrophobicContact CG2-CG2 4.32Å
644	I	88.6	Confident	89.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	26%	0.255	C	S	.	.			trans	-76.8	128.8	172.6	-57.8	170	0	0	0	108.2	V641 R642 I651 L670 M675 F679	V641-I644 HydrophobicContact CG2-CD1 3.91Å; V641-I644 HydrophobicContact CG2-CG1 4.31Å; R642-I644 PolarHBondContact O-N 2.94Å; I644-I651 HydrophobicContact CG2-CG1 4.34Å; I644-L670 HydrophobicContact CD1-CD1 3.68Å; I644-M675 HydrophobicContact CD1-CE 4.47Å; I644-M675 HydrophobicContact CD1-CG 4.42Å; I644-M675 HydrophobicContact CG2-CE 3.59Å; I644-F679 HydrophobicContact CB-CE2 4.09Å; I644-F679 HydrophobicContact CB-CZ 3.98Å; I644-F679 HydrophobicContact CD1-CE2 4.17Å
645	T	88.1	Confident	88.7	Confident	49 Å²	49	58.7 Å²	58.7	30%	0.301	30%	0.295	S	S	.	.			trans	-119.8	-174	-176.9	73.1	0	0	0	0	110.4	T643 R647 S650	T643-T645 HydrophobicContact CG2-CG2 4.32Å; T645-R647 PolarHBondContact O-N 2.98Å; T645-R647 PolarHBondContact OG1-N 2.92Å; T645-S650 PolarHBondContact N-OG 3.39Å; T645-S650 PolarHBondContact O-OG 3.3Å; T645-S650 WeakPolarHBondContact OG1-CB 3.29Å; T645-S650 PolarHBondContact OG1-OG 3.14Å
646	T	87.8	Confident	87.9	Confident	30 Å²	30	59.5 Å²	59.5	18%	0.184	30%	0.301	C	S	.	.	S	Bend	trans	-66	-16.7	173.3	58.5	0	0	0	0	114.4	R698 R702	T646-R698 HydrophobicContact CG2-CB 4.41Å; T646-R698 WeakPolarHBondContact O-CG 3.38Å; T646-R702 HydrophobicContact CG2-CG 3.44Å; T646-R702 VanDerWaalsContact CG2-CG 3.44Å
647	R	86.2	Confident	87.3	Confident	147 Å²	147	62.8 Å²	62.8	56%	0.555	31%	0.312	S	S	*	.	S	Bend	trans	-83.8	130.7	-179.8	-65.3	-171.9	179	-173.5	1.4	109.8	T645 N649 S650 Q697	T645-R647 PolarHBondContact O-N 2.98Å; T645-R647 PolarHBondContact OG1-N 2.92Å; R647-N649 PolarHBondContact O-N 3.49Å; R647-S650 WeakPolarHBondContact O-CB 3.19Å; R647-S650 PolarHBondContact O-N 3.41Å; R647-S650 PolarHBondContact O-OG 3.13Å; R647-Q697 PolarHBondContact O-NE2 2.87Å
648	S	83.7	Confident	87	Confident	60 Å²	60	63.2 Å²	63.2	42%	0.42	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-50.6	-43.8	177.5	49.4	0	0	0	0	112.7	S650 I651	S648-S650 PolarHBondContact O-N 3.2Å; S648-S650 VanDerWaalsContact O-N 3.15Å; S648-I651 PolarHBondContact O-N 3.35Å
649	N	85.3	Confident	87.1	Confident	100 Å²	100	63.1 Å²	63.1	54%	0.535	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.2	-16.9	-179.9	-68.1	-17	0	0	0	114.5	R647 I651 K652	R647-N649 PolarHBondContact O-N 3.49Å; N649-I651 PolarHBondContact O-N 3.02Å; N649-K652 WeakPolarHBondContact O-CB 3.49Å; N649-K652 PolarHBondContact O-N 3.35Å
650	S	85.8	Confident	87.1	Confident	23 Å²	23	60 Å²	60	16%	0.161	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-70.1	-10.4	178.1	65	0	0	0	0	114.3	T645 R647 S648 K652	T645-S650 PolarHBondContact N-OG 3.39Å; T645-S650 PolarHBondContact O-OG 3.3Å; T645-S650 WeakPolarHBondContact OG1-CB 3.29Å; T645-S650 PolarHBondContact OG1-OG 3.14Å; R647-S650 WeakPolarHBondContact O-CB 3.19Å; R647-S650 PolarHBondContact O-N 3.41Å; R647-S650 PolarHBondContact O-OG 3.13Å; S648-S650 PolarHBondContact O-N 3.2Å; S648-S650 VanDerWaalsContact O-N 3.15Å; S650-K652 VanDerWaalsContact C-N 3.28Å
651	I	87.4	Confident	87.3	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.015	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-70.5	-29.2	169.6	-67.3	173.2	0	0	0	110.9	I644 S648 N649 Q653 P660 I669 M675 Q697	I644-I651 HydrophobicContact CG2-CG1 4.34Å; S648-I651 PolarHBondContact O-N 3.35Å; N649-I651 PolarHBondContact O-N 3.02Å; I651-Q653 PolarHBondContact O-NE2 2.85Å; I651-P660 HydrophobicContact CG2-CG 3.99Å; I651-I669 HydrophobicContact CG2-CB 4.05Å; I651-I669 HydrophobicContact CG2-CG2 4.08Å; I651-M675 HydrophobicContact CD1-SD 4.37Å; I651-Q697 VanDerWaalsContact CD1-CD 3.43Å; I651-Q697 HydrophobicContact CD1-CG 4.45Å
652	K	88.8	Confident	87.4	Confident	66 Å²	66	61.5 Å²	61.5	29%	0.287	30%	0.299	S	S	.	.			trans	-70.3	142.1	-179.4	-57.3	-170.8	-178.1	-171.8	0	110.5	N649 S650 Q657 H658 F659	N649-K652 WeakPolarHBondContact O-CB 3.49Å; N649-K652 PolarHBondContact O-N 3.35Å; S650-K652 VanDerWaalsContact C-N 3.28Å; K652-Q657 HydrophobicContact CB-CB 4.2Å; K652-Q657 VanDerWaalsContact CB-OE1 3.29Å; K652-Q657 HydrophobicContact CD-CB 3.86Å; K652-Q657 WeakPolarHBondContact CD-O 3.48Å; K652-H658 CarbonylContact C-O 3.6Å; K652-H658 WeakPolarHBondContact CA-O 3.47Å; K652-F659 HydrophobicContact CD-CE1 4.06Å; K652-F659 HydrophobicContact CG-CD1 3.88Å; K652-F659 HydrophobicContact CG-CE1 3.72Å
653	Q	86.4	Confident	87.5	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.019	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-115.2	156.3	-171.9	-55.6	-59	-48.8	0	0	110.8	F638 R642 I651 Q657 H658 P660	F638-Q653 HydrophobicContact CD2-CB 3.92Å; F638-Q653 HydrophobicContact CD2-CG 3.73Å; F638-Q653 HydrophobicContact CE1-CB 4.3Å; F638-Q653 HydrophobicContact CE2-CB 3.32Å; F638-Q653 HydrophobicContact CE2-CG 3.56Å; F638-Q653 HydrophobicContact CZ-CB 3.54Å; F638-Q653 HydrophobicContact CZ-CG 4.29Å; R642-Q653 VanDerWaalsContact CB-OE1 3.29Å; R642-Q653 VanDerWaalsContact CG-OE1 3.28Å; I651-Q653 PolarHBondContact O-NE2 2.85Å; Q653-Q657 CarbonylContact O-C 3.54Å; Q653-Q657 WeakPolarHBondContact O-CA 3.42Å; Q653-Q657 PolarHBondContact O-N 3.11Å; Q653-H658 PolarHBondContact N-O 3.38Å; Q653-H658 PolarHBondContact O-N 3.35Å; Q653-P660 HydrophobicContact CG-CB 3.9Å
654	G	79.6	Confident	87.7	Confident	17 Å²	17	62.6 Å²	62.6	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	-177.4	179	0	0	0	0	0	114.3	R642	R642-G654 VanDerWaalsContact NH1-C 3.3Å; R642-G654 PolarHBondContact NH1-O 2.85Å
655	K	77.1	Confident	87.7	Confident	194 Å²	194	71.6 Å²	71.6	84%	0.843	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-36.4	169.4	-71.5	-177.1	179	179.7	0	110	Q657	K655-Q657 PolarHBondContact O-N 2.99Å
656	D	78.8	Confident	88	Confident	126 Å²	126	76.9 Å²	76.9	67%	0.674	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	7.7	-177.8	-46.2	-59.1	0	0	0	114	H658	D656-H658 VanDerWaalsContact C-N 3.33Å; D656-H658 WeakPolarHBondContact CB-NE2 3.42Å; D656-H658 PolarHBondContact O-N 3.21Å
657	Q	84.2	Confident	88.3	Confident	90 Å²	90	79 Å²	79	42%	0.421	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	38	170.2	-62.1	-66.5	-51.4	0	0	114.5	K652 Q653 K655	K652-Q657 HydrophobicContact CB-CB 4.2Å; K652-Q657 VanDerWaalsContact CB-OE1 3.29Å; K652-Q657 HydrophobicContact CD-CB 3.86Å; K652-Q657 WeakPolarHBondContact CD-O 3.48Å; Q653-Q657 CarbonylContact O-C 3.54Å; Q653-Q657 WeakPolarHBondContact O-CA 3.42Å; Q653-Q657 PolarHBondContact O-N 3.11Å; K655-Q657 PolarHBondContact O-N 2.99Å
658	H	88.4	Confident	88.7	Confident	67 Å²	67	74.1 Å²	74.1	31%	0.31	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-66.3	145.8	176.6	-67.6	-65.2	0	0	0	112.4	F638 K652 Q653 D656 E667	F638-H658 HydrophobicContact CZ-CB 4.39Å; K652-H658 CarbonylContact C-O 3.6Å; K652-H658 WeakPolarHBondContact CA-O 3.47Å; Q653-H658 PolarHBondContact N-O 3.38Å; Q653-H658 PolarHBondContact O-N 3.35Å; D656-H658 VanDerWaalsContact C-N 3.33Å; D656-H658 WeakPolarHBondContact CB-NE2 3.42Å; D656-H658 PolarHBondContact O-N 3.21Å; H658-E667 IonicContact CG-OE1 3.74Å; H658-E667 IonicContact ND1-OE1 2.85Å; H658-E667 PolarHBondContact ND1-OE1 3.3Å; H658-E667 IonicContact ND1-OE2 3.89Å
659	F	93.1	Very high	89.2	Confident	64 Å²	64	73 Å²	73	28%	0.281	35%	0.354	S	S	.	.			trans	-74.5	149.9	166.6	-58.2	-56.6	0	0	0	111	K637 K652 V661 E667 D668 I669	K637-F659 WeakPolarHBondContact CD-O 3.38Å; K652-F659 HydrophobicContact CD-CE1 4.06Å; K652-F659 HydrophobicContact CG-CD1 3.88Å; K652-F659 HydrophobicContact CG-CE1 3.72Å; F659-V661 VanDerWaalsContact C-N 3.32Å; F659-V661 PolarHBondContact O-N 2.8Å; F659-E667 HydrophobicContact CB-CB 4.16Å; F659-E667 HydrophobicContact CD2-CB 3.95Å; F659-E667 PolarHBondContact N-OE2 2.94Å; F659-D668 WeakPolarHBondContact CB-O 3.36Å; F659-I669 HydrophobicContact CD1-CG2 3.47Å; F659-I669 VanDerWaalsContact CD1-CG2 3.47Å; F659-I669 HydrophobicContact CE1-CG2 3.55Å; F659-I669 HydrophobicContact CG-CG2 4.04Å; F659-I669 HydrophobicContact CZ-CG2 4.21Å
660	P	94.1	Very high	89.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-77	-11.3	-169.9	27.6	-33.3	0	0	0	115.3	L626 K637 F638 V641 I651 Q653 L670	L626-P660 HydrophobicContact CD2-CB 4.12Å; K637-P660 WeakPolarHBondContact CB-O 3.32Å; K637-P660 PolarHBondContact N-O 2.86Å; F638-P660 HydrophobicContact CD2-CB 4.15Å; V641-P660 HydrophobicContact CG1-CB 4.06Å; I651-P660 HydrophobicContact CG2-CG 3.99Å; Q653-P660 HydrophobicContact CG-CB 3.9Å; P660-L670 HydrophobicContact CG-CD1 4.4Å; P660-L670 HydrophobicContact CG-CG 3.91Å
661	V	96.4	Very high	90.2	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.3	-170.8	-175.6	0	0	0	0	110.9	L630 R634 I635 F659 E667 D668 L670	L630-V661 HydrophobicContact CD1-CG1 3.86Å; L630-V661 HydrophobicContact CD1-CG2 4Å; L630-V661 HydrophobicContact CD2-CG2 3.64Å; R634-V661 HydrophobicContact CB-CG1 3.81Å; I635-V661 CarbonylContact O-C 3.52Å; I635-V661 WeakPolarHBondContact O-CA 2.97Å; F659-V661 VanDerWaalsContact C-N 3.32Å; F659-V661 PolarHBondContact O-N 2.8Å; V661-E667 WeakPolarHBondContact O-CA 3.48Å; V661-D668 WeakPolarHBondContact CB-O 3.38Å; V661-D668 PolarHBondContact N-O 3.23Å; V661-D668 PolarHBondContact O-N 2.83Å; V661-L670 HydrophobicContact CG2-CD2 3.78Å; V661-L670 HydrophobicContact CG2-CG 4.45Å
662	F	95.6	Very high	90.5	Very high	76 Å²	76	72.2 Å²	72.2	33%	0.333	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134	162.4	-82.9	-59.9	0	0	0	110.4	I635 K637 K666 E667	I635-F662 HydrophobicContact CB-CB 4.48Å; I635-F662 PolarHBondContact N-O 3.24Å; I635-F662 PolarHBondContact O-N 2.98Å; K637-F662 HydrophobicContact CD-CD1 4.48Å; K637-F662 HydrophobicContact CD-CD2 3.51Å; K637-F662 HydrophobicContact CD-CE1 4.32Å; K637-F662 HydrophobicContact CD-CE2 3.33Å; K637-F662 HydrophobicContact CD-CG 4.1Å; K637-F662 HydrophobicContact CD-CZ 3.76Å; K637-F662 HydrophobicContact CG-CD2 3.32Å; K637-F662 HydrophobicContact CG-CE2 3.51Å; K637-F662 HydrophobicContact CG-CG 4.13Å; K637-F662 HydrophobicContact CG-CZ 4.42Å; F662-K666 WeakPolarHBondContact CA-O 3.39Å; F662-E667 HydrophobicContact CD1-CG 4.22Å; F662-E667 HydrophobicContact CE1-CG 3.64Å; F662-E667 HydrophobicContact CZ-CG 4.25Å
663	M	94.6	Very high	90.9	Very high	63 Å²	63	70 Å²	70	31%	0.31	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121	169.8	-175	-177.6	-176.4	0	0	108.3	R634 E665 K666 W671	R634-M663 HydrophobicContact CG-CB 4.35Å; R634-M663 HydrophobicContact CG-CG 4.2Å; R634-M663 HydrophobicContact CG-SD 4.27Å; R634-M663 PolarHBondContact NH1-SD 2.74Å; M663-E665 VanDerWaalsContact C-N 3.31Å; M663-E665 PolarHBondContact O-N 3.05Å; M663-K666 PolarHBondContact N-O 3.39Å; M663-K666 PolarHBondContact O-N 2.91Å; M663-W671 HydrophobicContact CE-CZ2 4.5Å; M663-W671 HydrophobicContact SD-CZ2 4.03Å
664	N	91.4	Very high	91.4	Very high	133 Å²	133	69.9 Å²	69.9	71%	0.711	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	50.7	-177.5	-55.8	-26.5	0	0	0	112.4	K666	N664-K666 PolarHBondContact O-N 2.93Å
665	E	88.8	Confident	92.2	Very high	192 Å²	192	69 Å²	69	90%	0.897	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	6.6	-179.7	-53.5	179.8	157.1	0	0	115.4	M663	M663-E665 VanDerWaalsContact C-N 3.31Å; M663-E665 PolarHBondContact O-N 3.05Å
666	K	94.2	Very high	93.2	Very high	160 Å²	160	59.8 Å²	59.8	70%	0.696	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.8	175.8	-66.3	-176.1	-180	-180	0	111.5	F662 M663 N664	F662-K666 WeakPolarHBondContact CA-O 3.39Å; M663-K666 PolarHBondContact N-O 3.39Å; M663-K666 PolarHBondContact O-N 2.91Å; N664-K666 PolarHBondContact O-N 2.93Å
667	E	94.4	Very high	94.1	Very high	73 Å²	73	56 Å²	56	34%	0.341	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.5	172.5	-71.9	-162.1	-173	0	0	110.6	K637 H658 F659 V661 F662	K637-E667 VanDerWaalsContact NZ-CD 3.26Å; K637-E667 IonicContact NZ-OE1 2.9Å; K637-E667 PolarHBondContact NZ-OE1 3.12Å; K637-E667 IonicContact NZ-OE2 3.05Å; H658-E667 IonicContact CG-OE1 3.74Å; H658-E667 IonicContact ND1-OE1 2.85Å; H658-E667 PolarHBondContact ND1-OE1 3.3Å; H658-E667 IonicContact ND1-OE2 3.89Å; F659-E667 HydrophobicContact CB-CB 4.16Å; F659-E667 HydrophobicContact CD2-CB 3.95Å; F659-E667 PolarHBondContact N-OE2 2.94Å; V661-E667 WeakPolarHBondContact O-CA 3.48Å; F662-E667 HydrophobicContact CD1-CG 4.22Å; F662-E667 HydrophobicContact CE1-CG 3.64Å; F662-E667 HydrophobicContact CZ-CG 4.25Å
668	D	94.8	Very high	94.7	Very high	46 Å²	46	51.8 Å²	51.8	25%	0.246	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.3	178.8	-166.8	23.2	0	0	0	112	R634 F659 V661 W671	R634-D668 IonicContact CZ-OD2 2.96Å; R634-D668 IonicContact NH1-OD2 2.63Å; R634-D668 PolarHBondContact NH1-OD2 2.76Å; R634-D668 IonicContact NH2-OD2 3Å; R634-D668 PolarHBondContact NH2-OD2 3.33Å; F659-D668 WeakPolarHBondContact CB-O 3.36Å; V661-D668 WeakPolarHBondContact CB-O 3.38Å; V661-D668 PolarHBondContact N-O 3.23Å; V661-D668 PolarHBondContact O-N 2.83Å; D668-W671 PolarHBondContact OD2-NE1 3.42Å
669	I	94.2	Very high	95.1	Very high	35 Å²	35	48.8 Å²	48.8	18%	0.179	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-78.6	164.9	176.9	59.1	167.5	0	0	0	111.5	R634 I651 F659 R693	R634-I669 PolarHBondContact NH2-O 3.26Å; I651-I669 HydrophobicContact CG2-CB 4.05Å; I651-I669 HydrophobicContact CG2-CG2 4.08Å; F659-I669 HydrophobicContact CD1-CG2 3.47Å; F659-I669 VanDerWaalsContact CD1-CG2 3.47Å; F659-I669 HydrophobicContact CE1-CG2 3.55Å; F659-I669 HydrophobicContact CG-CG2 4.04Å; F659-I669 HydrophobicContact CZ-CG2 4.21Å; I669-R693 VanDerWaalsContact CD1-CZ 3.43Å
670	L	95.3	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-67	135.7	167.1	-71.4	171.3	0	0	0	111.2	L626 L630 V641 I644 P660 V661 E674 M675	L626-L670 HydrophobicContact CD1-CD1 4.38Å; L626-L670 HydrophobicContact CD1-CD2 3.94Å; L630-L670 HydrophobicContact CD2-CD2 3.5Å; L630-L670 VanDerWaalsContact CD2-CD2 3.5Å; V641-L670 HydrophobicContact CG1-CD1 4.05Å; I644-L670 HydrophobicContact CD1-CD1 3.68Å; P660-L670 HydrophobicContact CG-CD1 4.4Å; P660-L670 HydrophobicContact CG-CG 3.91Å; V661-L670 HydrophobicContact CG2-CD2 3.78Å; V661-L670 HydrophobicContact CG2-CG 4.45Å; L670-E674 WeakPolarHBondContact CA-OE2 3.42Å; L670-E674 HydrophobicContact CD2-CB 3.98Å; L670-M675 HydrophobicContact CB-CG 3.77Å; L670-M675 HydrophobicContact CD1-CG 4.22Å
671	W	95.7	Very high	95.5	Very high	97 Å²	97	47.4 Å²	47.4	37%	0.367	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-74.5	157.1	168.7	-61.5	-7.9	0	0	0	110.4	E631 M663 D668 T673 E674 M675	E631-W671 HydrophobicContact CB-CE3 4.25Å; E631-W671 HydrophobicContact CB-CZ3 3.86Å; E631-W671 HydrophobicContact CG-CE3 3.76Å; E631-W671 HydrophobicContact CG-CZ3 3.72Å; M663-W671 HydrophobicContact CE-CZ2 4.5Å; M663-W671 HydrophobicContact SD-CZ2 4.03Å; D668-W671 PolarHBondContact OD2-NE1 3.42Å; W671-T673 PolarHBondContact O-N 3.28Å; W671-E674 HydrophobicContact CB-CG 4.06Å; W671-E674 PolarHBondContact N-OE2 3.19Å; W671-E674 PolarHBondContact O-N 3.4Å; W671-E674 VanDerWaalsContact O-N 3.12Å; W671-M675 WeakPolarHBondContact O-CG 3.49Å; W671-M675 PolarHBondContact O-N 3.17Å
672	C	95.4	Very high	95.5	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.088	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-36.3	-178.5	-72.1	0	0	0	0	112.4	M675 E676 R693	C672-M675 WeakPolarHBondContact O-CB 3.46Å; C672-M675 PolarHBondContact O-N 3.07Å; C672-E676 WeakPolarHBondContact O-CG 3.39Å; C672-E676 PolarHBondContact O-N 3.2Å; C672-R693 VanDerWaalsContact SG-CG 3.56Å
673	T	96.3	Very high	95.5	Very high	21 Å²	21	49.3 Å²	49.3	13%	0.129	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-37.2	176.1	49.4	0	0	0	0	112.6	W671 E676 R677 V683	W671-T673 PolarHBondContact O-N 3.28Å; T673-E676 WeakPolarHBondContact CA-OE2 3.22Å; T673-E676 WeakPolarHBondContact O-CB 3.43Å; T673-E676 PolarHBondContact O-N 2.9Å; T673-R677 PolarHBondContact O-N 3.44Å; T673-R677 VanDerWaalsContact O-N 3.15Å; T673-V683 HydrophobicContact CG2-CG1 3.97Å
674	E	97.2	Very high	95.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-40.3	173.5	-57.7	175.2	143.1	0	0	110.5	L630 E631 R634 L670 W671 E676 R677 V678	L630-E674 WeakPolarHBondContact CA-OE1 3.49Å; L630-E674 HydrophobicContact CD2-CB 4.39Å; L630-E674 HydrophobicContact CD2-CG 4.29Å; L630-E674 WeakPolarHBondContact CD2-OE1 3.39Å; E631-E674 HydrophobicContact CG-CG 4.43Å; E631-E674 PolarHBondContact N-OE1 3.29Å; R634-E674 WeakPolarHBondContact CD-OE1 3.34Å; R634-E674 IonicContact CZ-OE1 3.85Å; R634-E674 IonicContact NE-OE1 3.85Å; R634-E674 PolarHBondContact NE-OE1 3.01Å; R634-E674 IonicContact NE-OE2 2.69Å; R634-E674 IonicContact NH2-OE2 2.86Å; L670-E674 WeakPolarHBondContact CA-OE2 3.42Å; L670-E674 HydrophobicContact CD2-CB 3.98Å; W671-E674 HydrophobicContact CB-CG 4.06Å; W671-E674 PolarHBondContact N-OE2 3.19Å; W671-E674 PolarHBondContact O-N 3.4Å; W671-E674 VanDerWaalsContact O-N 3.12Å; E674-E676 PolarHBondContact O-N 3.4Å; E674-R677 PolarHBondContact O-N 2.96Å; E674-V678 VanDerWaalsContact O-CG2 3.29Å; E674-V678 WeakPolarHBondContact O-CG2 3.46Å; E674-V678 PolarHBondContact O-N 3.16Å
675	M	96.8	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-40.2	172.9	-72	-173.2	52.1	0	0	112.4	I644 I651 L670 W671 C672 R677 V678 F679 Q697 L700	I644-M675 HydrophobicContact CD1-CE 4.47Å; I644-M675 HydrophobicContact CD1-CG 4.42Å; I644-M675 HydrophobicContact CG2-CE 3.59Å; I651-M675 HydrophobicContact CD1-SD 4.37Å; L670-M675 HydrophobicContact CB-CG 3.77Å; L670-M675 HydrophobicContact CD1-CG 4.22Å; W671-M675 WeakPolarHBondContact O-CG 3.49Å; W671-M675 PolarHBondContact O-N 3.17Å; C672-M675 WeakPolarHBondContact O-CB 3.46Å; C672-M675 PolarHBondContact O-N 3.07Å; M675-R677 VanDerWaalsContact C-N 3.34Å; M675-R677 PolarHBondContact O-N 3.27Å; M675-V678 PolarHBondContact O-N 3.03Å; M675-F679 WeakPolarHBondContact O-CD2 3.46Å; M675-F679 PolarHBondContact O-N 3.17Å; M675-Q697 HydrophobicContact CE-CB 4.47Å; M675-Q697 HydrophobicContact CE-CG 3.97Å; M675-Q697 HydrophobicContact SD-CB 4.5Å; M675-Q697 HydrophobicContact SD-CG 4.15Å; M675-L700 HydrophobicContact CB-CD1 3.8Å; M675-L700 HydrophobicContact CE-CB 3.9Å; M675-L700 HydrophobicContact CE-CD1 4.05Å
676	E	97.8	Very high	96.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-47.8	174	-75.6	161.7	171.4	0	0	110.6	C672 T673 E674 V678 F679 G680 F681 H684 Y685 T686 R696 L700	C672-E676 WeakPolarHBondContact O-CG 3.39Å; C672-E676 PolarHBondContact O-N 3.2Å; T673-E676 WeakPolarHBondContact CA-OE2 3.22Å; T673-E676 WeakPolarHBondContact O-CB 3.43Å; T673-E676 PolarHBondContact O-N 2.9Å; E674-E676 PolarHBondContact O-N 3.4Å; E676-V678 PolarHBondContact O-N 3.05Å; E676-F679 CarbonylContact O-C 3.48Å; E676-F679 PolarHBondContact O-N 3.01Å; E676-G680 PolarHBondContact O-N 3.3Å; E676-G680 VanDerWaalsContact O-N 3.08Å; E676-F681 HydrophobicContact CB-CB 4.11Å; E676-F681 HydrophobicContact CG-CB 4.44Å; E676-F681 PolarHBondContact O-N 2.86Å; E676-H684 VanDerWaalsContact OE2-CA 3.22Å; E676-H684 WeakPolarHBondContact OE2-CA 3.43Å; E676-H684 PolarHBondContact OE2-N 2.95Å; E676-Y685 PolarHBondContact OE1-N 3.17Å; E676-T686 WeakPolarHBondContact OE1-CA 3.38Å; E676-T686 WeakPolarHBondContact OE1-CB 3.38Å; E676-T686 PolarHBondContact OE1-N 3.04Å; E676-T686 PolarHBondContact OE1-OG1 3.18Å; E676-R696 IonicContact OE1-CZ 3.28Å; E676-R696 IonicContact OE1-NH2 3.24Å; E676-R696 PolarHBondContact OE1-NH2 3.24Å; E676-R696 IonicContact OE2-NH2 2.93Å; E676-L700 HydrophobicContact CG-CD1 4.01Å; E676-L700 HydrophobicContact CG-CD2 3.92Å
677	R	97.3	Very high	96.4	Very high	47 Å²	47	31.6 Å²	31.6	18%	0.177	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-44.4	175.6	-68.5	-177.2	-167.3	115.2	3.8	112.7	K623 C629 E631 T673 E674 M675 F679 G680 V683	K623-R677 HydrophobicContact CD-CB 4.29Å; C629-R677 HydrophobicContact CB-CB 3.91Å; C629-R677 WeakPolarHBondContact O-CD 3.4Å; C629-R677 PolarHBondContact O-NH1 3.29Å; C629-R677 VanDerWaalsContact O-NH1 3.07Å; E631-R677 IonicContact OE1-CZ 3.32Å; E631-R677 IonicContact OE1-NH1 3.9Å; E631-R677 PolarHBondContact OE1-NH1 3.07Å; E631-R677 IonicContact OE1-NH2 3.21Å; E631-R677 PolarHBondContact OE1-NH2 3.04Å; T673-R677 PolarHBondContact O-N 3.44Å; T673-R677 VanDerWaalsContact O-N 3.15Å; E674-R677 PolarHBondContact O-N 2.96Å; M675-R677 VanDerWaalsContact C-N 3.34Å; M675-R677 PolarHBondContact O-N 3.27Å; R677-F679 PolarHBondContact O-N 3.08Å; R677-G680 PolarHBondContact O-N 3.42Å; R677-V683 HydrophobicContact CG-CG2 3.84Å
678	V	96.8	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-36.9	177.5	168.4	0	0	0	0	111.5	S597 A598 A599 L626 C629 V641 E674 M675 E676 G680	S597-V678 WeakPolarHBondContact CB-O 3.49Å; A598-V678 HydrophobicContact CB-CG1 4.49Å; A598-V678 HydrophobicContact CB-CG2 4.28Å; A599-V678 HydrophobicContact CB-CG1 3.58Å; L626-V678 HydrophobicContact CD1-CG2 3.72Å; C629-V678 HydrophobicContact CB-CG2 3.77Å; V641-V678 HydrophobicContact CG2-CG1 3.86Å; E674-V678 VanDerWaalsContact O-CG2 3.29Å; E674-V678 WeakPolarHBondContact O-CG2 3.46Å; E674-V678 PolarHBondContact O-N 3.16Å; M675-V678 PolarHBondContact O-N 3.03Å; E676-V678 PolarHBondContact O-N 3.05Å; V678-G680 VanDerWaalsContact C-N 3.31Å
679	F	97	Very high	96.1	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-86.8	-3.5	-179.9	-78.6	-120.3	0	0	0	113	I644 M675 E676 R677 F681 L700 V706	I644-F679 HydrophobicContact CB-CE2 4.09Å; I644-F679 HydrophobicContact CB-CZ 3.98Å; I644-F679 HydrophobicContact CD1-CE2 4.17Å; M675-F679 WeakPolarHBondContact O-CD2 3.46Å; M675-F679 PolarHBondContact O-N 3.17Å; E676-F679 CarbonylContact O-C 3.48Å; E676-F679 PolarHBondContact O-N 3.01Å; R677-F679 PolarHBondContact O-N 3.08Å; F679-F681 HydrophobicContact CB-CD2 3.67Å; F679-F681 HydrophobicContact CB-CE2 3.93Å; F679-L700 WeakPolarHBondContact CD1-O 3.25Å; F679-L700 WeakPolarHBondContact CE1-O 3.4Å; F679-V706 PolarHBondContact O-N 3.11Å
680	G	96.9	Very high	95.9	Very high	29 Å²	29	36.8 Å²	36.8	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	12.1	-178.5	0	0	0	0	0	114.6	E676 R677 V678 V706	E676-G680 PolarHBondContact O-N 3.3Å; E676-G680 VanDerWaalsContact O-N 3.08Å; R677-G680 PolarHBondContact O-N 3.42Å; V678-G680 VanDerWaalsContact C-N 3.31Å; G680-V706 VanDerWaalsContact O-CB 3.29Å; G680-V706 WeakPolarHBondContact O-CB 3.2Å; G680-V706 WeakPolarHBondContact O-CG1 3.4Å; G680-V706 WeakPolarHBondContact O-CG2 3.39Å
681	F	98.1	Very high	95.8	Very high	6 Å²	6	38 Å²	38	3%	0.026	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-74.7	150.8	173.3	-73.5	-84.3	0	0	0	111.1	I454 T456 L459 E676 F679 V683 Y685 L700 S703 V706	I454-F681 HydrophobicContact CD1-CD1 4.47Å; I454-F681 HydrophobicContact CD1-CE1 3.81Å; I454-F681 HydrophobicContact CD1-CE2 4.08Å; I454-F681 HydrophobicContact CD1-CZ 3.6Å; I454-F681 HydrophobicContact CG1-CE1 4.25Å; I454-F681 HydrophobicContact CG1-CZ 4.11Å; T456-F681 HydrophobicContact CG2-CE1 4.03Å; T456-F681 HydrophobicContact CG2-CZ 3.79Å; T456-F681 WeakPolarHBondContact OG1-CZ 3.37Å; L459-F681 HydrophobicContact CD2-CD1 3.56Å; L459-F681 HydrophobicContact CD2-CE1 3.8Å; E676-F681 HydrophobicContact CB-CB 4.11Å; E676-F681 HydrophobicContact CG-CB 4.44Å; E676-F681 PolarHBondContact O-N 2.86Å; F679-F681 HydrophobicContact CB-CD2 3.67Å; F679-F681 HydrophobicContact CB-CE2 3.93Å; F681-V683 PolarHBondContact O-N 3.26Å; F681-Y685 HydrophobicContact CB-CG 4.38Å; F681-Y685 AromaticContact CD1-CD1 3.53Å; F681-Y685 HydrophobicContact CD1-CD1 3.53Å; F681-Y685 HydrophobicContact CD1-CD2 4.29Å; F681-Y685 AromaticContact CD1-CE1 3.8Å; F681-Y685 HydrophobicContact CD1-CE1 3.8Å; F681-Y685 AromaticContact CD1-CG 3.8Å; F681-Y685 HydrophobicContact CD1-CG 3.8Å; F681-Y685 HydrophobicContact CE1-CD1 4.02Å; F681-Y685 AromaticContact CE1-CE1 3.84Å; F681-Y685 HydrophobicContact CE1-CE1 3.84Å; F681-Y685 HydrophobicContact CG-CD1 4.29Å; F681-Y685 HydrophobicContact CG-CG 4.44Å; F681-L700 HydrophobicContact CD2-CD2 3.97Å; F681-L700 HydrophobicContact CE2-CD2 4.31Å; F681-S703 VanDerWaalsContact CE2-OG 3.25Å; F681-S703 WeakPolarHBondContact CE2-OG 3.44Å; F681-V706 HydrophobicContact CD1-CG2 3.74Å; F681-V706 HydrophobicContact CD2-CG2 3.87Å; F681-V706 HydrophobicContact CE1-CG2 3.71Å; F681-V706 HydrophobicContact CE2-CG2 3.82Å; F681-V706 HydrophobicContact CG-CG2 3.81Å; F681-V706 HydrophobicContact CZ-CG2 3.74Å
682	P	96.9	Very high	95.7	Very high	61 Å²	61	36.9 Å²	36.9	40%	0.396	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-52.1	140.7	163.4	-24.9	34.1	0	0	0	110.7	L459 H684 Y685	L459-P682 HydrophobicContact CD1-CG 4.2Å; P682-H684 PolarHBondContact O-N 3Å; P682-Y685 HydrophobicContact CG-CD2 4.4Å; P682-Y685 WeakPolarHBondContact O-CB 3.45Å; P682-Y685 PolarHBondContact O-N 2.8Å
683	V	95.7	Very high	95.6	Very high	56 Å²	56	41.2 Å²	41.2	34%	0.339	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	138.5	176.9	-166.4	0	0	0	0	108.8	T673 R677 F681 Y685	T673-V683 HydrophobicContact CG2-CG1 3.97Å; R677-V683 HydrophobicContact CG-CG2 3.84Å; F681-V683 PolarHBondContact O-N 3.26Å; V683-Y685 VanDerWaalsContact C-N 3.3Å; V683-Y685 PolarHBondContact O-N 3.48Å
684	H	96.9	Very high	95.4	Very high	89 Å²	89	44 Å²	44	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	11	-172.9	-55.1	-80.9	0	0	0	115.2	R487 E676 P682 T686 D687	R487-H684 PolarHBondContact NH2-O 2.8Å; E676-H684 VanDerWaalsContact OE2-CA 3.22Å; E676-H684 WeakPolarHBondContact OE2-CA 3.43Å; E676-H684 PolarHBondContact OE2-N 2.95Å; P682-H684 PolarHBondContact O-N 3Å; H684-T686 VanDerWaalsContact C-N 3.3Å; H684-T686 PolarHBondContact O-N 2.86Å; H684-D687 HydrophobicContact CB-CB 3.78Å; H684-D687 IonicContact CG-OD2 3.57Å; H684-D687 IonicContact ND1-OD2 3.65Å; H684-D687 PolarHBondContact ND1-OD2 3.09Å; H684-D687 WeakPolarHBondContact O-CB 3.42Å; H684-D687 PolarHBondContact O-N 2.94Å
685	Y	97.9	Very high	95.3	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.027	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-39.7	-178.3	-175.2	-91.8	0	0	0	114	I454 L459 V483 R487 H488 E676 F681 P682 V683 D687	I454-Y685 HydrophobicContact CB-CE1 4.18Å; I454-Y685 HydrophobicContact CD1-CD1 4.31Å; I454-Y685 HydrophobicContact CD1-CE1 4.13Å; I454-Y685 HydrophobicContact CG1-CE1 4.29Å; I454-Y685 VanDerWaalsContact O-CE1 3.3Å; I454-Y685 WeakPolarHBondContact O-CE1 3.35Å; I454-Y685 PolarHBondContact O-OH 2.9Å; L459-Y685 HydrophobicContact CB-CE2 4.49Å; L459-Y685 HydrophobicContact CD1-CE2 4.18Å; L459-Y685 HydrophobicContact CD2-CD2 4.3Å; L459-Y685 HydrophobicContact CD2-CE2 3.91Å; L459-Y685 HydrophobicContact CG-CE2 4.43Å; V483-Y685 HydrophobicContact CG1-CD1 4.04Å; V483-Y685 HydrophobicContact CG1-CE1 3.6Å; R487-Y685 HydrophobicContact CB-CD2 4.5Å; R487-Y685 HydrophobicContact CB-CE2 3.87Å; R487-Y685 WeakPolarHBondContact CD-O 3.43Å; R487-Y685 HydrophobicContact CG-CD2 4.01Å; R487-Y685 HydrophobicContact CG-CE1 4.47Å; R487-Y685 HydrophobicContact CG-CE2 3.81Å; R487-Y685 HydrophobicContact CG-CG 4.42Å; R487-Y685 PolarHBondContact NE-O 2.69Å; H488-Y685 PolarHBondContact NE2-OH 3.37Å; E676-Y685 PolarHBondContact OE1-N 3.17Å; F681-Y685 HydrophobicContact CB-CG 4.38Å; F681-Y685 AromaticContact CD1-CD1 3.53Å; F681-Y685 HydrophobicContact CD1-CD1 3.53Å; F681-Y685 HydrophobicContact CD1-CD2 4.29Å; F681-Y685 AromaticContact CD1-CE1 3.8Å; F681-Y685 HydrophobicContact CD1-CE1 3.8Å; F681-Y685 AromaticContact CD1-CG 3.8Å; F681-Y685 HydrophobicContact CD1-CG 3.8Å; F681-Y685 HydrophobicContact CE1-CD1 4.02Å; F681-Y685 AromaticContact CE1-CE1 3.84Å; F681-Y685 HydrophobicContact CE1-CE1 3.84Å; F681-Y685 HydrophobicContact CG-CD1 4.29Å; F681-Y685 HydrophobicContact CG-CG 4.44Å; P682-Y685 HydrophobicContact CG-CD2 4.4Å; P682-Y685 WeakPolarHBondContact O-CB 3.45Å; P682-Y685 PolarHBondContact O-N 2.8Å; V683-Y685 VanDerWaalsContact C-N 3.3Å; V683-Y685 PolarHBondContact O-N 3.48Å; Y685-D687 VanDerWaalsContact C-N 3.33Å
686	T	97.2	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.2	177.2	67	0	0	0	0	113.1	I454 E676 H684 V688 R696 L700	I454-T686 HydrophobicContact CD1-CG2 3.98Å; E676-T686 WeakPolarHBondContact OE1-CA 3.38Å; E676-T686 WeakPolarHBondContact OE1-CB 3.38Å; E676-T686 PolarHBondContact OE1-N 3.04Å; E676-T686 PolarHBondContact OE1-OG1 3.18Å; H684-T686 VanDerWaalsContact C-N 3.3Å; H684-T686 PolarHBondContact O-N 2.86Å; T686-V688 PolarHBondContact O-N 3.44Å; T686-R696 WeakPolarHBondContact O-CD 3.46Å; T686-R696 PolarHBondContact O-NE 3.21Å; T686-R696 PolarHBondContact OG1-NE 2.69Å; T686-R696 PolarHBondContact OG1-NH2 2.69Å; T686-L700 HydrophobicContact CG2-CD2 3.8Å; T686-L700 HydrophobicContact CG2-CG 4.01Å
687	D	95.9	Very high	95	Very high	79 Å²	79	45.9 Å²	45.9	42%	0.422	25%	0.253	S	S	.	.			trans	-79.7	73	176.9	-155.5	23.2	0	0	0	109.5	R487 H684 Y685 R696	R487-D687 PolarHBondContact NH2-O 2.8Å; H684-D687 HydrophobicContact CB-CB 3.78Å; H684-D687 IonicContact CG-OD2 3.57Å; H684-D687 IonicContact ND1-OD2 3.65Å; H684-D687 PolarHBondContact ND1-OD2 3.09Å; H684-D687 WeakPolarHBondContact O-CB 3.42Å; H684-D687 PolarHBondContact O-N 2.94Å; Y685-D687 VanDerWaalsContact C-N 3.33Å; D687-R696 IonicContact OD1-CZ 3.22Å; D687-R696 IonicContact OD1-NH1 2.85Å; D687-R696 PolarHBondContact OD1-NH1 3.26Å
688	V	91.9	Very high	94.9	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.055	26%	0.264	C	S	.	.			trans	-134.9	146.3	-178.9	-57	0	0	0	0	108.9	T482 V483 V486 T686 M691	T482-V688 HydrophobicContact CG2-CG2 4.26Å; V483-V688 HydrophobicContact CB-CG2 4.17Å; V483-V688 HydrophobicContact CG2-CG2 3.41Å; V483-V688 VanDerWaalsContact CG2-CG2 3.41Å; V486-V688 HydrophobicContact CB-CB 4.47Å; V486-V688 HydrophobicContact CB-CG1 4.04Å; V486-V688 HydrophobicContact CG1-CB 4.44Å; V486-V688 HydrophobicContact CG1-CG1 3.8Å; T686-V688 PolarHBondContact O-N 3.44Å; V688-M691 HydrophobicContact CG2-CE 3.9Å; V688-M691 HydrophobicContact CG2-SD 4.34Å
689	S	90.1	Very high	94.9	Very high	84 Å²	84	48.9 Å²	48.9	59%	0.587	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-158.5	-176.5	78.1	0	0	0	0	112.5	M691	S689-M691 WeakPolarHBondContact OG-CE 3.4Å; S689-M691 WeakPolarHBondContact OG-CG 3.03Å
690	N	91	Very high	94.8	Very high	170 Å²	170	48.7 Å²	48.7	91%	0.909	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	42.9	-177.9	-139.5	-1.7	0	0	0	111.5
691	M	92.2	Very high	94.7	Very high	26 Å²	26	47.6 Å²	47.6	13%	0.128	25%	0.253	C	S	.	.			trans	-68.5	136.9	-178	-74.7	173.1	-160.3	0	0	111.8	D479 T482 V483 V688 S689 A695 R696 L699	D479-M691 VanDerWaalsContact CA-CE 3.44Å; D479-M691 HydrophobicContact CB-CE 3.6Å; D479-M691 HydrophobicContact CB-SD 3.94Å; D479-M691 VanDerWaalsContact O-CE 3.29Å; D479-M691 WeakPolarHBondContact O-CE 3.34Å; T482-M691 HydrophobicContact CG2-CE 4.12Å; V483-M691 HydrophobicContact CG2-CE 4.4Å; V688-M691 HydrophobicContact CG2-CE 3.9Å; V688-M691 HydrophobicContact CG2-SD 4.34Å; S689-M691 WeakPolarHBondContact OG-CE 3.4Å; S689-M691 WeakPolarHBondContact OG-CG 3.03Å; M691-A695 HydrophobicContact CB-CB 4.25Å; M691-R696 HydrophobicContact CB-CG 4.06Å; M691-L699 HydrophobicContact SD-CD1 3.88Å
692	S	93.9	Very high	94.5	Very high	73 Å²	73	52.8 Å²	52.8	51%	0.51	27%	0.273	S	S	.	.			trans	-62.2	154.7	171.1	72.2	0	0	0	0	111.6	L694 A695 R696	S692-L694 PolarHBondContact O-N 2.69Å; S692-L694 VanDerWaalsContact O-N 3.15Å; S692-A695 WeakPolarHBondContact O-CB 3.23Å; S692-A695 PolarHBondContact O-N 3.15Å; S692-A695 PolarHBondContact OG-N 2.83Å; S692-R696 PolarHBondContact O-N 2.87Å; S692-R696 VanDerWaalsContact O-N 3.11Å
693	R	93.1	Very high	94.5	Very high	104 Å²	104	50.3 Å²	50.3	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-50.4	-39.9	172.1	-167.2	-165.9	73.4	74.4	1.2	112	I669 C672 R696 Q697	I669-R693 VanDerWaalsContact CD1-CZ 3.43Å; C672-R693 VanDerWaalsContact SG-CG 3.56Å; R693-R696 PolarHBondContact O-N 2.63Å; R693-Q697 VanDerWaalsContact NH1-OE1 3.11Å; R693-Q697 WeakPolarHBondContact O-CB 3.06Å; R693-Q697 PolarHBondContact O-N 2.95Å
694	L	92.8	Very high	94.6	Very high	81 Å²	81	48.9 Å²	48.9	42%	0.424	25%	0.245	S	C	.	.	H	α-helix	trans	-68.9	-38.4	-179.2	-174.9	62.6	0	0	0	112.1	S692 Q697 R698	S692-L694 PolarHBondContact O-N 2.69Å; S692-L694 VanDerWaalsContact O-N 3.15Å; L694-Q697 PolarHBondContact O-N 3.33Å; L694-R698 VanDerWaalsContact O-CG 3.3Å; L694-R698 WeakPolarHBondContact O-CG 3.15Å; L694-R698 PolarHBondContact O-N 3.14Å
695	A	94.4	Very high	94.6	Very high	11 Å²	11	45 Å²	45	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-49.7	174.2	0	0	0	0	0	110.6	M691 S692 Q697 R698 L699	M691-A695 HydrophobicContact CB-CB 4.25Å; S692-A695 WeakPolarHBondContact O-CB 3.23Å; S692-A695 PolarHBondContact O-N 3.15Å; S692-A695 PolarHBondContact OG-N 2.83Å; A695-Q697 VanDerWaalsContact C-N 3.34Å; A695-Q697 PolarHBondContact O-N 2.9Å; A695-R698 WeakPolarHBondContact O-CB 2.91Å; A695-R698 PolarHBondContact O-N 2.87Å; A695-L699 WeakPolarHBondContact O-CG 3.37Å; A695-L699 PolarHBondContact O-N 2.81Å
696	R	95.4	Very high	94.7	Very high	27 Å²	27	44.9 Å²	44.9	10%	0.102	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-42.7	175.9	-70.1	-179.8	63.7	178	3.3	112.8	E676 T686 D687 M691 S692 R693 R698 L699 L700	E676-R696 IonicContact OE1-CZ 3.28Å; E676-R696 IonicContact OE1-NH2 3.24Å; E676-R696 PolarHBondContact OE1-NH2 3.24Å; E676-R696 IonicContact OE2-NH2 2.93Å; T686-R696 WeakPolarHBondContact O-CD 3.46Å; T686-R696 PolarHBondContact O-NE 3.21Å; T686-R696 PolarHBondContact OG1-NE 2.69Å; T686-R696 PolarHBondContact OG1-NH2 2.69Å; D687-R696 IonicContact OD1-CZ 3.22Å; D687-R696 IonicContact OD1-NH1 2.85Å; D687-R696 PolarHBondContact OD1-NH1 3.26Å; M691-R696 HydrophobicContact CB-CG 4.06Å; S692-R696 PolarHBondContact O-N 2.87Å; S692-R696 VanDerWaalsContact O-N 3.11Å; R693-R696 PolarHBondContact O-N 2.63Å; R696-R698 VanDerWaalsContact C-N 3.33Å; R696-R698 PolarHBondContact O-N 3.27Å; R696-L699 PolarHBondContact O-N 3.19Å; R696-L700 WeakPolarHBondContact O-CG 3.44Å; R696-L700 PolarHBondContact O-N 3.33Å
697	Q	93.8	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-42.5	173.9	178.9	179	-18.6	0	0	111.9	R647 I651 M675 R693 L694 A695 G701	R647-Q697 PolarHBondContact O-NE2 2.87Å; I651-Q697 VanDerWaalsContact CD1-CD 3.43Å; I651-Q697 HydrophobicContact CD1-CG 4.45Å; M675-Q697 HydrophobicContact CE-CB 4.47Å; M675-Q697 HydrophobicContact CE-CG 3.97Å; M675-Q697 HydrophobicContact SD-CB 4.5Å; M675-Q697 HydrophobicContact SD-CG 4.15Å; R693-Q697 VanDerWaalsContact NH1-OE1 3.11Å; R693-Q697 WeakPolarHBondContact O-CB 3.06Å; R693-Q697 PolarHBondContact O-N 2.95Å; L694-Q697 PolarHBondContact O-N 3.33Å; A695-Q697 VanDerWaalsContact C-N 3.34Å; A695-Q697 PolarHBondContact O-N 2.9Å; Q697-G701 PolarHBondContact O-N 3.32Å
698	R	95.1	Very high	94.7	Very high	105 Å²	105	41.8 Å²	41.8	40%	0.396	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-39.9	178	-72.7	171.1	72.5	-151.6	6.7	111.9	T646 L694 A695 R696 R702	T646-R698 HydrophobicContact CG2-CB 4.41Å; T646-R698 WeakPolarHBondContact O-CG 3.38Å; L694-R698 VanDerWaalsContact O-CG 3.3Å; L694-R698 WeakPolarHBondContact O-CG 3.15Å; L694-R698 PolarHBondContact O-N 3.14Å; A695-R698 WeakPolarHBondContact O-CB 2.91Å; A695-R698 PolarHBondContact O-N 2.87Å; R696-R698 VanDerWaalsContact C-N 3.33Å; R696-R698 PolarHBondContact O-N 3.27Å; R698-R702 WeakPolarHBondContact O-CD 3.21Å; R698-R702 WeakPolarHBondContact O-CG 3.26Å; R698-R702 PolarHBondContact O-N 3.29Å
699	L	96.3	Very high	95	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-53.7	175.9	-66.4	-178.2	0	0	0	111.3	I454 D479 S480 V483 M691 A695 R696 G701 R702 S703	I454-L699 HydrophobicContact CG2-CB 3.84Å; I454-L699 HydrophobicContact CG2-CD1 4.04Å; I454-L699 HydrophobicContact CG2-CD2 4.07Å; I454-L699 HydrophobicContact CG2-CG 4.21Å; D479-L699 HydrophobicContact CB-CD1 4.13Å; D479-L699 HydrophobicContact CB-CD2 4.12Å; S480-L699 WeakPolarHBondContact OG-CD2 3.48Å; V483-L699 HydrophobicContact CG2-CD1 3.88Å; M691-L699 HydrophobicContact SD-CD1 3.88Å; A695-L699 WeakPolarHBondContact O-CG 3.37Å; A695-L699 PolarHBondContact O-N 2.81Å; R696-L699 PolarHBondContact O-N 3.19Å; L699-G701 VanDerWaalsContact C-N 3.35Å; L699-G701 PolarHBondContact O-N 3.28Å; L699-R702 PolarHBondContact O-N 2.84Å; L699-R702 VanDerWaalsContact O-N 3.15Å; L699-S703 PolarHBondContact O-N 3.18Å; L699-S703 VanDerWaalsContact O-N 3.1Å
700	L	96.1	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-44.8	178.2	-69.8	165.9	0	0	0	111.4	I454 M675 E676 F679 F681 T686 R696 R702 S703	I454-L700 HydrophobicContact CD1-CD2 4.34Å; M675-L700 HydrophobicContact CB-CD1 3.8Å; M675-L700 HydrophobicContact CE-CB 3.9Å; M675-L700 HydrophobicContact CE-CD1 4.05Å; E676-L700 HydrophobicContact CG-CD1 4.01Å; E676-L700 HydrophobicContact CG-CD2 3.92Å; F679-L700 WeakPolarHBondContact CD1-O 3.25Å; F679-L700 WeakPolarHBondContact CE1-O 3.4Å; F681-L700 HydrophobicContact CD2-CD2 3.97Å; F681-L700 HydrophobicContact CE2-CD2 4.31Å; T686-L700 HydrophobicContact CG2-CD2 3.8Å; T686-L700 HydrophobicContact CG2-CG 4.01Å; R696-L700 WeakPolarHBondContact O-CG 3.44Å; R696-L700 PolarHBondContact O-N 3.33Å; L700-R702 PolarHBondContact O-N 3.41Å; L700-S703 PolarHBondContact O-N 3.12Å; L700-S703 VanDerWaalsContact O-N 3.15Å; L700-S703 PolarHBondContact O-OG 2.88Å
701	G	93.6	Very high	95.7	Very high	7 Å²	7	32.8 Å²	32.8	7%	0.072	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-22.5	179.1	0	0	0	0	0	114.8	R601 Q697 L699	R601-G701 PolarHBondContact NH2-O 2.93Å; Q697-G701 PolarHBondContact O-N 3.32Å; L699-G701 VanDerWaalsContact C-N 3.35Å; L699-G701 PolarHBondContact O-N 3.28Å
702	R	94.6	Very high	95.9	Very high	115 Å²	115	31.7 Å²	31.7	43%	0.434	15%	0.147	S	C	.	.	H	α-helix	trans	-94.3	-28.9	177.1	-68.7	168	179.5	170.8	-3.1	113.8	T646 R698 L699 L700	T646-R702 HydrophobicContact CG2-CG 3.44Å; T646-R702 VanDerWaalsContact CG2-CG 3.44Å; R698-R702 WeakPolarHBondContact O-CD 3.21Å; R698-R702 WeakPolarHBondContact O-CG 3.26Å; R698-R702 PolarHBondContact O-N 3.29Å; L699-R702 PolarHBondContact O-N 2.84Å; L699-R702 VanDerWaalsContact O-N 3.15Å; L700-R702 PolarHBondContact O-N 3.41Å
703	S	96.7	Very high	96.1	Very high	8 Å²	8	28.2 Å²	28.2	6%	0.056	12%	0.122	C	C	.	.	S	Bend	trans	-62.6	170.2	-172.9	75.7	0	0	0	0	112.3	R601 F681 L699 L700	R601-S703 PolarHBondContact NH1-O 3.5Å; R601-S703 PolarHBondContact NH2-O 3.3Å; F681-S703 VanDerWaalsContact CE2-OG 3.25Å; F681-S703 WeakPolarHBondContact CE2-OG 3.44Å; L699-S703 PolarHBondContact O-N 3.18Å; L699-S703 VanDerWaalsContact O-N 3.1Å; L700-S703 PolarHBondContact O-N 3.12Å; L700-S703 VanDerWaalsContact O-N 3.15Å; L700-S703 PolarHBondContact O-OG 2.88Å
704	W	97.8	Very high	96.3	Very high	26 Å²	26	23.4 Å²	23.4	10%	0.098	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-76.5	168.6	166.5	-62.1	-33.6	0	0	0	112.4	T456 I516 L565 E567 I709	T456-W704 HydrophobicContact CG2-CB 4.12Å; I516-W704 HydrophobicContact CB-CH2 4.08Å; I516-W704 HydrophobicContact CD1-CH2 4.22Å; I516-W704 HydrophobicContact CD1-CZ3 4.13Å; I516-W704 HydrophobicContact CG1-CH2 4.3Å; L565-W704 HydrophobicContact CD2-CH2 4.3Å; L565-W704 HydrophobicContact CD2-CZ2 4.39Å; E567-W704 HydrophobicContact CB-CZ2 4.23Å; E567-W704 PolarHBondContact OE2-NE1 3.49Å; W704-I709 HydrophobicContact CB-CD1 3.88Å; W704-I709 HydrophobicContact CB-CG1 3.46Å; W704-I709 VanDerWaalsContact CB-CG1 3.46Å; W704-I709 HydrophobicContact CD2-CD1 3.58Å; W704-I709 HydrophobicContact CD2-CG1 3.92Å; W704-I709 HydrophobicContact CE3-CD1 3.47Å; W704-I709 VanDerWaalsContact CE3-CD1 3.47Å; W704-I709 HydrophobicContact CE3-CG1 3.61Å; W704-I709 HydrophobicContact CE3-CG2 4.24Å; W704-I709 HydrophobicContact CG-CD1 3.79Å; W704-I709 HydrophobicContact CG-CG1 3.91Å; W704-I709 HydrophobicContact CZ3-CD1 4.16Å
705	S	97.8	Very high	96.5	Very high	8 Å²	8	19.6 Å²	19.6	6%	0.056	9%	0.085	C	C	.	.	P	Polyproline II helix	trans	-80.3	121.2	162.5	172.7	0	0	0	0	108	P707 V708 I709	S705-P707 WeakPolarHBondContact OG-CD 3.47Å; S705-P707 WeakPolarHBondContact OG-CG 3.37Å; S705-V708 PolarHBondContact O-N 3.43Å; S705-I709 WeakPolarHBondContact O-CG1 3.46Å; S705-I709 PolarHBondContact O-N 3.42Å; S705-I709 VanDerWaalsContact O-N 3.17Å
706	V	98.1	Very high	96.6	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.024	8%	0.081	C	C	.	.	H	α-helix	trans	-55.4	-50.4	-177.9	176.8	0	0	0	0	112.5	T456 L459 V460 F679 G680 F681 V708 I709 R710	T456-V706 HydrophobicContact CG2-CG2 4.06Å; L459-V706 HydrophobicContact CD2-CG2 4.06Å; V460-V706 HydrophobicContact CG2-CG1 3.9Å; F679-V706 PolarHBondContact O-N 3.11Å; G680-V706 VanDerWaalsContact O-CB 3.29Å; G680-V706 WeakPolarHBondContact O-CB 3.2Å; G680-V706 WeakPolarHBondContact O-CG1 3.4Å; G680-V706 WeakPolarHBondContact O-CG2 3.39Å; F681-V706 HydrophobicContact CD1-CG2 3.74Å; F681-V706 HydrophobicContact CD2-CG2 3.87Å; F681-V706 HydrophobicContact CE1-CG2 3.71Å; F681-V706 HydrophobicContact CE2-CG2 3.82Å; F681-V706 HydrophobicContact CG-CG2 3.81Å; F681-V706 HydrophobicContact CZ-CG2 3.74Å; V706-V708 VanDerWaalsContact C-N 3.31Å; V706-V708 PolarHBondContact O-N 3.37Å; V706-I709 PolarHBondContact O-N 3.48Å; V706-R710 WeakPolarHBondContact O-CB 3.49Å; V706-R710 PolarHBondContact O-N 3.2Å
707	P	97.1	Very high	96.7	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.071	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-31.9	-178.5	23.3	-35.4	0	0	0	113.5	V596 D622 S705 R710 H711	V596-P707 HydrophobicContact CB-CB 4.06Å; V596-P707 HydrophobicContact CB-CG 4.33Å; V596-P707 HydrophobicContact CG2-CB 3.83Å; V596-P707 HydrophobicContact CG2-CG 3.83Å; D622-P707 WeakPolarHBondContact OD1-CB 3.2Å; S705-P707 WeakPolarHBondContact OG-CD 3.47Å; S705-P707 WeakPolarHBondContact OG-CG 3.37Å; P707-R710 PolarHBondContact O-N 3.32Å; P707-H711 WeakPolarHBondContact O-CB 3.44Å; P707-H711 PolarHBondContact O-N 3.44Å
708	V	97.7	Very high	96.7	Very high	4 Å²	4	18 Å²	18	2%	0.024	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-44.9	174.3	174.7	0	0	0	0	110.9	I591 A593 V596 F605 S705 V706 H711 L712	I591-V708 HydrophobicContact CB-CG1 4.4Å; I591-V708 HydrophobicContact CG2-CG1 3.89Å; I591-V708 HydrophobicContact CG2-CG2 4.24Å; A593-V708 HydrophobicContact CB-CG2 3.86Å; V596-V708 HydrophobicContact CG2-CG2 3.85Å; F605-V708 HydrophobicContact CE1-CG1 4.48Å; F605-V708 HydrophobicContact CE2-CG1 3.87Å; F605-V708 HydrophobicContact CZ-CG1 3.64Å; S705-V708 PolarHBondContact O-N 3.43Å; V706-V708 VanDerWaalsContact C-N 3.31Å; V706-V708 PolarHBondContact O-N 3.37Å; V708-H711 WeakPolarHBondContact O-CB 3.37Å; V708-H711 PolarHBondContact O-N 3.29Å; V708-L712 HydrophobicContact CG1-CD1 4.04Å; V708-L712 WeakPolarHBondContact O-CG 3.14Å; V708-L712 PolarHBondContact O-N 2.83Å; V708-L712 VanDerWaalsContact O-N 3.09Å
709	I	98.3	Very high	96.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70	-35.8	178.1	-58	-63.3	0	0	0	111	V460 F605 W704 S705 V706 H711 L712 F713	V460-I709 HydrophobicContact CB-CG2 4.09Å; V460-I709 HydrophobicContact CG1-CG2 4.08Å; V460-I709 HydrophobicContact CG2-CB 4.07Å; V460-I709 HydrophobicContact CG2-CG2 3.96Å; F605-I709 HydrophobicContact CE1-CD1 3.94Å; W704-I709 HydrophobicContact CB-CD1 3.88Å; W704-I709 HydrophobicContact CB-CG1 3.46Å; W704-I709 VanDerWaalsContact CB-CG1 3.46Å; W704-I709 HydrophobicContact CD2-CD1 3.58Å; W704-I709 HydrophobicContact CD2-CG1 3.92Å; W704-I709 HydrophobicContact CE3-CD1 3.47Å; W704-I709 VanDerWaalsContact CE3-CD1 3.47Å; W704-I709 HydrophobicContact CE3-CG1 3.61Å; W704-I709 HydrophobicContact CE3-CG2 4.24Å; W704-I709 HydrophobicContact CG-CD1 3.79Å; W704-I709 HydrophobicContact CG-CG1 3.91Å; W704-I709 HydrophobicContact CZ3-CD1 4.16Å; S705-I709 WeakPolarHBondContact O-CG1 3.46Å; S705-I709 PolarHBondContact O-N 3.42Å; S705-I709 VanDerWaalsContact O-N 3.17Å; V706-I709 PolarHBondContact O-N 3.48Å; I709-H711 VanDerWaalsContact C-N 3.33Å; I709-H711 PolarHBondContact O-N 3.03Å; I709-L712 HydrophobicContact CD1-CD1 4.2Å; I709-L712 PolarHBondContact O-N 2.81Å; I709-F713 HydrophobicContact CG2-CD1 4.29Å; I709-F713 HydrophobicContact CG2-CD2 3.84Å; I709-F713 HydrophobicContact CG2-CE1 4.14Å; I709-F713 HydrophobicContact CG2-CE2 3.68Å; I709-F713 HydrophobicContact CG2-CG 4.14Å; I709-F713 HydrophobicContact CG2-CZ 3.82Å; I709-F713 WeakPolarHBondContact O-CB 3.48Å; I709-F713 PolarHBondContact O-N 3.48Å
710	R	97.6	Very high	96.8	Very high	59 Å²	59	13.5 Å²	13.5	22%	0.223	6%	0.06	C	C	.	.	H	α-helix	trans	-57.3	-46.7	171.6	-175.7	-173.8	-74.9	-120.8	6.4	111.1	V460 D463 L464 V706 P707 L712 F713 A714	V460-R710 VanDerWaalsContact CG1-CA 3.43Å; V460-R710 HydrophobicContact CG1-CB 4.02Å; D463-R710 VanDerWaalsContact CB-NH2 3.34Å; D463-R710 IonicContact OD2-CZ 3.68Å; D463-R710 IonicContact OD2-NH2 2.67Å; D463-R710 PolarHBondContact OD2-NH2 3.28Å; L464-R710 HydrophobicContact CD2-CG 3.85Å; L464-R710 HydrophobicContact CG-CG 4.23Å; V706-R710 WeakPolarHBondContact O-CB 3.49Å; V706-R710 PolarHBondContact O-N 3.2Å; P707-R710 PolarHBondContact O-N 3.32Å; R710-L712 VanDerWaalsContact C-N 3.34Å; R710-L712 PolarHBondContact O-N 2.96Å; R710-F713 PolarHBondContact O-N 3.02Å; R710-A714 VanDerWaalsContact O-CB 3.31Å; R710-A714 WeakPolarHBondContact O-CB 3.38Å; R710-A714 PolarHBondContact O-N 3.03Å
711	H	96.6	Very high	96.9	Very high	14 Å²	14	13.7 Å²	13.7	7%	0.065	6%	0.061	C	C	.	.	H	α-helix	trans	-57.7	-45.2	175.1	168.8	95.1	0	0	0	112.6	R614 P615 L616 P707 V708 I709	R614-H711 VanDerWaalsContact CG-CE1 3.41Å; R614-H711 WeakPolarHBondContact CG-CE1 3.35Å; R614-H711 PolarHBondContact NE-CE1 2.96Å; R614-H711 VanDerWaalsContact NE-CE1 3.28Å; R614-H711 PolarHBondContact NH1-CE1 3.2Å; R614-H711 PolarHBondContact NH1-ND1 3.15Å; R614-H711 PolarHBondContact NH2-ND1 3.3Å; R614-H711 PolarHBondContact NH2-O 2.9Å; P615-H711 PolarHBondContact O-CE1 3.22Å; L616-H711 HydrophobicContact CD1-CB 3.57Å; L616-H711 VanDerWaalsContact CD1-ND1 3.32Å; L616-H711 WeakPolarHBondContact CD1-ND1 3.3Å; P707-H711 WeakPolarHBondContact O-CB 3.44Å; P707-H711 PolarHBondContact O-N 3.44Å; V708-H711 WeakPolarHBondContact O-CB 3.37Å; V708-H711 PolarHBondContact O-N 3.29Å; I709-H711 VanDerWaalsContact C-N 3.33Å; I709-H711 PolarHBondContact O-N 3.03Å
712	L	97.4	Very high	96.9	Very high	3 Å²	3	14 Å²	14	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-70.1	-38.7	-178.2	-70.5	164.3	0	0	0	112.5	L565 I591 F605 L609 M612 V708 I709 R710 P715	L565-L712 HydrophobicContact CD1-CB 4.38Å; L565-L712 HydrophobicContact CD1-CD1 3.94Å; I591-L712 HydrophobicContact CD1-CD1 4.45Å; I591-L712 HydrophobicContact CD1-CD2 3.92Å; I591-L712 HydrophobicContact CD1-CG 4.36Å; F605-L712 HydrophobicContact CD1-CD1 3.66Å; F605-L712 HydrophobicContact CD2-CD1 4.43Å; F605-L712 HydrophobicContact CE1-CD1 3.71Å; F605-L712 HydrophobicContact CE2-CD1 4.49Å; F605-L712 HydrophobicContact CG-CD1 4.03Å; F605-L712 HydrophobicContact CZ-CD1 4.14Å; L609-L712 HydrophobicContact CD1-CB 4.02Å; L609-L712 WeakPolarHBondContact CD1-O 3.44Å; M612-L712 HydrophobicContact CB-CD2 3.98Å; V708-L712 HydrophobicContact CG1-CD1 4.04Å; V708-L712 WeakPolarHBondContact O-CG 3.14Å; V708-L712 PolarHBondContact O-N 2.83Å; V708-L712 VanDerWaalsContact O-N 3.09Å; I709-L712 HydrophobicContact CD1-CD1 4.2Å; I709-L712 PolarHBondContact O-N 2.81Å; R710-L712 VanDerWaalsContact C-N 3.34Å; R710-L712 PolarHBondContact O-N 2.96Å; L712-P715 WeakPolarHBondContact O-CD 3.31Å
713	F	98.4	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-85.6	-19.7	-177.6	-73.4	4.7	0	0	0	113.9	V460 L461 L464 L514 I516 L609 I709 R710 P715 L716	V460-F713 HydrophobicContact CB-CD2 4.36Å; V460-F713 HydrophobicContact CG1-CB 4.17Å; V460-F713 HydrophobicContact CG1-CD2 3.92Å; V460-F713 HydrophobicContact CG1-CG 4.4Å; L461-F713 HydrophobicContact CD2-CD2 3.98Å; L461-F713 HydrophobicContact CG-CD2 4.05Å; L461-F713 HydrophobicContact CG-CE2 4.28Å; L464-F713 HydrophobicContact CD1-CB 3.62Å; L514-F713 HydrophobicContact CD2-CE2 4.43Å; L514-F713 HydrophobicContact CD2-CZ 4.27Å; I516-F713 HydrophobicContact CD1-CE2 4.39Å; I516-F713 HydrophobicContact CD1-CZ 3.99Å; I516-F713 HydrophobicContact CG2-CE1 4.27Å; I516-F713 HydrophobicContact CG2-CZ 3.92Å; L609-F713 HydrophobicContact CD1-CD1 3.85Å; L609-F713 HydrophobicContact CD1-CE1 4.05Å; I709-F713 HydrophobicContact CG2-CD1 4.29Å; I709-F713 HydrophobicContact CG2-CD2 3.84Å; I709-F713 HydrophobicContact CG2-CE1 4.14Å; I709-F713 HydrophobicContact CG2-CE2 3.68Å; I709-F713 HydrophobicContact CG2-CG 4.14Å; I709-F713 HydrophobicContact CG2-CZ 3.82Å; I709-F713 WeakPolarHBondContact O-CB 3.48Å; I709-F713 PolarHBondContact O-N 3.48Å; R710-F713 PolarHBondContact O-N 3.02Å; F713-P715 VanDerWaalsContact C-N 3.33Å; F713-L716 HydrophobicContact CB-CD1 4.1Å; F713-L716 HydrophobicContact CD1-CD1 4.2Å; F713-L716 HydrophobicContact CG-CD1 4.11Å; F713-L716 WeakPolarHBondContact O-CB 3.25Å; F713-L716 VanDerWaalsContact O-CG 3.29Å; F713-L716 WeakPolarHBondContact O-CG 3.32Å; F713-L716 PolarHBondContact O-N 3.43Å
714	A	97.3	Very high	96.6	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.033	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-49.3	-42.7	-177.5	0	0	0	0	0	115	Y337 Y339 L464 R710 L716 K717	Y337-A714 VanDerWaalsContact O-CB 3.26Å; Y337-A714 WeakPolarHBondContact O-CB 3.28Å; Y339-A714 HydrophobicContact CD2-CB 3.99Å; Y339-A714 HydrophobicContact CE2-CB 3.98Å; Y339-A714 WeakPolarHBondContact CE2-O 3.29Å; L464-A714 HydrophobicContact CD2-CB 4.14Å; R710-A714 VanDerWaalsContact O-CB 3.31Å; R710-A714 WeakPolarHBondContact O-CB 3.38Å; R710-A714 PolarHBondContact O-N 3.03Å; A714-L716 PolarHBondContact O-N 2.75Å; A714-L716 VanDerWaalsContact O-N 3.13Å; A714-K717 PolarHBondContact O-N 3.46Å
715	P	95.6	Very high	96.5	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-63	-18.8	178.3	-21.2	34	0	0	0	114.3	Y337 P610 L712 F713 K717 E718 Y719	Y337-P715 HydrophobicContact CD1-CB 4.15Å; Y337-P715 HydrophobicContact CD1-CG 4.39Å; Y337-P715 HydrophobicContact CD2-CB 4.01Å; Y337-P715 HydrophobicContact CD2-CG 3.63Å; Y337-P715 HydrophobicContact CE1-CB 4.18Å; Y337-P715 HydrophobicContact CE2-CB 4.02Å; Y337-P715 HydrophobicContact CE2-CG 4.05Å; Y337-P715 HydrophobicContact CG-CB 4.07Å; Y337-P715 HydrophobicContact CG-CG 3.82Å; P610-P715 HydrophobicContact CB-CB 4.06Å; P610-P715 HydrophobicContact CG-CB 4.43Å; P610-P715 VanDerWaalsContact O-CG 3.27Å; P610-P715 WeakPolarHBondContact O-CG 3.44Å; L712-P715 WeakPolarHBondContact O-CD 3.31Å; F713-P715 VanDerWaalsContact C-N 3.33Å; P715-K717 PolarHBondContact O-N 3.35Å; P715-E718 PolarHBondContact O-N 3.04Å; P715-Y719 WeakPolarHBondContact O-CD2 3.42Å
716	L	97.4	Very high	96.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-63	-21.2	177.5	-61.9	178.1	0	0	0	112.4	I445 I466 L514 F563 L609 F713 A714 E718 Y719 F720	I445-L716 HydrophobicContact CD1-CD1 4.21Å; I466-L716 HydrophobicContact CD1-CB 3.88Å; L514-L716 HydrophobicContact CD2-CD1 4.01Å; F563-L716 HydrophobicContact CB-CD2 4.34Å; F563-L716 HydrophobicContact CD1-CD2 4.39Å; F563-L716 HydrophobicContact CD2-CD2 3.57Å; F563-L716 HydrophobicContact CE2-CD2 3.9Å; F563-L716 HydrophobicContact CG-CD2 3.83Å; F563-L716 HydrophobicContact CZ-CD2 4.44Å; L609-L716 HydrophobicContact CD2-CD1 4.24Å; L609-L716 HydrophobicContact CD2-CD2 3.73Å; L609-L716 HydrophobicContact CD2-CG 4.19Å; F713-L716 HydrophobicContact CB-CD1 4.1Å; F713-L716 HydrophobicContact CD1-CD1 4.2Å; F713-L716 HydrophobicContact CG-CD1 4.11Å; F713-L716 WeakPolarHBondContact O-CB 3.25Å; F713-L716 VanDerWaalsContact O-CG 3.29Å; F713-L716 WeakPolarHBondContact O-CG 3.32Å; F713-L716 PolarHBondContact O-N 3.43Å; A714-L716 PolarHBondContact O-N 2.75Å; A714-L716 VanDerWaalsContact O-N 3.13Å; L716-E718 PolarHBondContact O-N 3.45Å; L716-E718 VanDerWaalsContact O-N 3.16Å; L716-Y719 PolarHBondContact O-N 2.85Å; L716-F720 HydrophobicContact CB-CD2 4.13Å; L716-F720 HydrophobicContact CD2-CE2 4.12Å; L716-F720 WeakPolarHBondContact O-CD2 3.37Å; L716-F720 PolarHBondContact O-N 3.06Å; L716-F720 VanDerWaalsContact O-N 3.07Å
717	K	96.6	Very high	96.3	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-60.7	-21.1	172.9	-65.7	-178.2	87.1	-95.5	0	112.9	Y339 G343 C366 R442 L464 I466 A714 P715 Y719	Y339-K717 HydrophobicContact CD1-CD 3.91Å; Y339-K717 VanDerWaalsContact CD1-NZ 3.34Å; Y339-K717 HydrophobicContact CD2-CD 3.81Å; Y339-K717 HydrophobicContact CE1-CB 4.35Å; Y339-K717 HydrophobicContact CE1-CD 3.97Å; Y339-K717 HydrophobicContact CE2-CB 4.4Å; Y339-K717 HydrophobicContact CE2-CD 3.88Å; Y339-K717 HydrophobicContact CE2-CG 4.5Å; Y339-K717 HydrophobicContact CG-CD 3.84Å; G343-K717 PolarHBondContact O-NZ 3Å; C366-K717 VanDerWaalsContact CB-NZ 3.26Å; C366-K717 PolarHBondContact SG-NZ 3.34Å; R442-K717 PolarHBondContact NH1-O 2.53Å; L464-K717 HydrophobicContact CB-CD 4.3Å; L464-K717 HydrophobicContact CD2-CD 4.46Å; L464-K717 VanDerWaalsContact O-CD 3.32Å; L464-K717 WeakPolarHBondContact O-CD 3.36Å; L464-K717 WeakPolarHBondContact O-CE 3.41Å; I466-K717 HydrophobicContact CD1-CG 3.84Å; I466-K717 HydrophobicContact CG1-CG 3.64Å; A714-K717 PolarHBondContact O-N 3.46Å; P715-K717 PolarHBondContact O-N 3.35Å; K717-Y719 VanDerWaalsContact C-N 3.26Å; K717-Y719 PolarHBondContact O-N 3.12Å
718	E	93.9	Very high	96.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-79.7	-6.1	174.3	-68.1	-59.9	140.1	0	0	114.1	Y337 R367 P436 V437 R442 P715 L716	Y337-E718 HydrophobicContact CE1-CG 4.03Å; R367-E718 IonicContact CZ-OE1 2.78Å; R367-E718 IonicContact CZ-OE2 2.8Å; R367-E718 IonicContact NE-OE1 2.76Å; R367-E718 IonicContact NE-OE2 3.74Å; R367-E718 IonicContact NH2-OE1 2.96Å; R367-E718 PolarHBondContact NH2-OE1 3.34Å; R367-E718 IonicContact NH2-OE2 3.71Å; R367-E718 PolarHBondContact NH2-OE2 3.05Å; P436-E718 HydrophobicContact CB-CB 4.39Å; V437-E718 PolarHBondContact N-O 3.22Å; V437-E718 VanDerWaalsContact N-O 3.09Å; R442-E718 IonicContact CZ-OE2 2.83Å; R442-E718 PolarHBondContact NE-O 3.12Å; R442-E718 PolarHBondContact NH2-O 3.32Å; R442-E718 IonicContact NH2-OE2 3.8Å; R442-E718 PolarHBondContact NH2-OE2 3.3Å; P715-E718 PolarHBondContact O-N 3.04Å; L716-E718 PolarHBondContact O-N 3.45Å; L716-E718 VanDerWaalsContact O-N 3.16Å
719	Y	96.4	Very high	96.2	Very high	8 Å²	8	18.6 Å²	18.6	3%	0.031	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-30.7	-175	-61.6	-94.1	0	0	0	113.1	Y434 P435 V437 P561 F563 P610 P715 L716 K717	Y434-Y719 WeakPolarHBondContact O-CE1 3.32Å; Y434-Y719 PolarHBondContact O-OH 2.9Å; Y434-Y719 VanDerWaalsContact O-OH 3.12Å; P435-Y719 WeakPolarHBondContact O-CE1 3.36Å; V437-Y719 HydrophobicContact CG2-CD1 4.29Å; P561-Y719 HydrophobicContact CB-CD1 4.08Å; P561-Y719 HydrophobicContact CG-CD1 4.13Å; F563-Y719 HydrophobicContact CE2-CD1 4.08Å; F563-Y719 HydrophobicContact CE2-CD2 4.34Å; F563-Y719 AromaticContact CE2-CG 3.95Å; F563-Y719 HydrophobicContact CE2-CG 3.95Å; F563-Y719 AromaticContact CZ-CD1 3.75Å; F563-Y719 HydrophobicContact CZ-CD1 3.75Å; F563-Y719 HydrophobicContact CZ-CD2 4.05Å; F563-Y719 AromaticContact CZ-CE1 3.81Å; F563-Y719 HydrophobicContact CZ-CE1 3.81Å; F563-Y719 HydrophobicContact CZ-CE2 4.13Å; F563-Y719 AromaticContact CZ-CG 3.87Å; F563-Y719 HydrophobicContact CZ-CG 3.87Å; F563-Y719 AromaticContact CZ-CZ 4Å; P610-Y719 HydrophobicContact CG-CE2 3.74Å; P715-Y719 WeakPolarHBondContact O-CD2 3.42Å; L716-Y719 PolarHBondContact O-N 2.85Å; K717-Y719 VanDerWaalsContact C-N 3.26Å; K717-Y719 PolarHBondContact O-N 3.12Å
720	F	98.2	Very high	96	Very high	9 Å²	9	19.9 Å²	19.9	4%	0.039	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-120.5	161.2	-172.6	-57.7	-74.9	0	0	0	112.9	R442 K443 I445 I466 D513 F563 L716	R442-F720 WeakPolarHBondContact CD-O 3.36Å; K443-F720 WeakPolarHBondContact O-CA 3.27Å; K443-F720 WeakPolarHBondContact O-CB 3.4Å; I445-F720 HydrophobicContact CB-CB 4.16Å; I445-F720 HydrophobicContact CB-CD1 3.85Å; I445-F720 HydrophobicContact CB-CD2 4.27Å; I445-F720 HydrophobicContact CB-CE1 4.37Å; I445-F720 HydrophobicContact CB-CG 3.81Å; I445-F720 HydrophobicContact CD1-CD1 4.5Å; I445-F720 HydrophobicContact CD1-CD2 3.66Å; I445-F720 HydrophobicContact CD1-CE2 3.68Å; I445-F720 HydrophobicContact CD1-CG 4.1Å; I445-F720 HydrophobicContact CD1-CZ 4.14Å; I445-F720 HydrophobicContact CG1-CD1 3.9Å; I445-F720 HydrophobicContact CG1-CD2 3.97Å; I445-F720 HydrophobicContact CG1-CE1 3.93Å; I445-F720 HydrophobicContact CG1-CE2 4Å; I445-F720 HydrophobicContact CG1-CG 3.93Å; I445-F720 HydrophobicContact CG1-CZ 3.99Å; I466-F720 HydrophobicContact CG2-CB 4.09Å; D513-F720 HydrophobicContact CB-CE1 3.53Å; D513-F720 HydrophobicContact CB-CZ 3.6Å; F563-F720 AromaticContact CD2-CE2 3.82Å; F563-F720 HydrophobicContact CD2-CE2 3.82Å; F563-F720 HydrophobicContact CD2-CZ 4.03Å; F563-F720 AromaticContact CE2-CE2 3.75Å; F563-F720 HydrophobicContact CE2-CE2 3.75Å; F563-F720 AromaticContact CE2-CZ 4Å; F563-F720 HydrophobicContact CE2-CZ 4Å; L716-F720 HydrophobicContact CB-CD2 4.13Å; L716-F720 HydrophobicContact CD2-CE2 4.12Å; L716-F720 WeakPolarHBondContact O-CD2 3.37Å; L716-F720 PolarHBondContact O-N 3.06Å; L716-F720 VanDerWaalsContact O-N 3.07Å
721	A	97.6	Very high	95.9	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.025	10%	0.1	C	C	.	.			trans	-65	146	-177.1	0	0	0	0	0	111.3	N364 R442 K443 P444 Q467	N364-A721 VanDerWaalsContact OD1-CA 3.32Å; N364-A721 WeakPolarHBondContact OD1-CA 3.41Å; N364-A721 WeakPolarHBondContact OD1-CB 3.29Å; R442-A721 HydrophobicContact CB-CB 4.48Å; K443-A721 VanDerWaalsContact C-CB 3.48Å; K443-A721 PolarHBondContact O-N 3.32Å; P444-A721 HydrophobicContact CG-CB 4.34Å; Q467-A721 HydrophobicContact CB-CB 4.19Å; Q467-A721 HydrophobicContact CG-CB 4.28Å; Q467-A721 PolarHBondContact N-O 2.95Å
722	C	94	Very high	95.8	Very high	13 Å²	13	17.2 Å²	17.2	9%	0.088	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-111.7	149.3	177.7	-64.5	0	0	0	0	110.3	N364 G465 Q467	N364-C722 PolarHBondContact OD1-N 2.95Å; N364-C722 PolarHBondContact OD1-O 3.11Å; G465-C722 CarbonylContact O-C 3.42Å; G465-C722 WeakPolarHBondContact O-CA 3.23Å; Q467-C722 PolarHBondContact NE2-O 3.3Å
723	V	87.3	Confident	95.7	Very high	162 Å²	162	18.5 Å²	18.5	98%	0.982	11%	0.111	S	C	*	.			trans	-68.7	0	-179.4	176.4	0	0	0	0	111.1	G465 Q467	G465-V723 PolarHBondContact O-N 3.02Å; Q467-V723 HydrophobicContact CG-CG2 3.74Å

Retrieved 723 of 723 residues in 150.4 ms (Link to these results)

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